data_25710 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25710 _Entry.Title ; Structure of high-density lipoprotein particles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-07-15 _Entry.Accession_date 2015-07-15 _Entry.Last_release_date 2015-08-06 _Entry.Original_release_date 2015-08-06 _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 'NMR, 10 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Stefan Bibow . . . . 25710 2 Yevhen Polyhach . . . . 25710 3 Cedric Eichmann . . . . 25710 4 Celestine Chi . N. . . 25710 5 Julia Kowal . . . . 25710 6 Henning Stahlberg . . . . 25710 7 Gunnar Jeschke . . . . 25710 8 Peter Guentert . . . . 25710 9 Roland Riek . . . . 25710 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25710 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID EM . 25710 EPR . 25710 HDL . 25710 NMR . 25710 'cardiovascular disease' . 25710 lipoproteins . 25710 nanodisc . 25710 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25710 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 391 25710 '15N chemical shifts' 149 25710 '1H chemical shifts' 149 25710 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-03-21 2015-07-15 update BMRB 'update entry citation' 25710 1 . . 2016-12-15 2015-07-15 original author 'original release' 25710 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2N5E 'BMRB Entry Tracking System' 25710 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25710 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28024148 _Citation.Full_citation . _Citation.Title ; Solution structure of discoidal high-density lipoprotein particles with a shortened apolipoprotein A-I ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full 'Nature structural & molecular biology' _Citation.Journal_volume 24 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1545-9985 _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 187 _Citation.Page_last 193 _Citation.Year 2017 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Stefan Bibow S. . . . 25710 1 2 Yevhen Polyhach Y. . . . 25710 1 3 Cedric Eichmann C. . . . 25710 1 4 Celestine Chi C. N. . . 25710 1 5 Julia Kowal J. . . . 25710 1 6 Stefan Albiez S. . . . 25710 1 7 Robert McLeod R. A. . . 25710 1 8 Henning Stahlberg H. . . . 25710 1 9 Gunnar Jeschke G. . . . 25710 1 10 Peter Guntert P. . . . 25710 1 11 Roland Riek R. . . . 25710 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25710 _Assembly.ID 1 _Assembly.Name 'high-density lipoprotein particles' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 entity_1 1 $entity A . yes native no no . . . 25710 1 2 entity_2 1 $entity B . yes native no no . . . 25710 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25710 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; STFSKLREQLGPVTQEFWDN LEKETEGLRQEMSKDLEEVK AKVQPYLDDFQKKWQEEMEL YRQKVEPLGEEMRDRARAHV DALRTHLAPYSDELRQRLAA RLEALKENGGARLAEYHAKA TEHLSTLSEKAKPALEDLRQ GLLPVLESFKVSFLSALEEY TKKLNTQ ; _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 167 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19462.148 _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 55 SER . 25710 1 2 56 THR . 25710 1 3 57 PHE . 25710 1 4 58 SER . 25710 1 5 59 LYS . 25710 1 6 60 LEU . 25710 1 7 61 ARG . 25710 1 8 62 GLU . 25710 1 9 63 GLN . 25710 1 10 64 LEU . 25710 1 11 65 GLY . 25710 1 12 66 PRO . 25710 1 13 67 VAL . 25710 1 14 68 THR . 25710 1 15 69 GLN . 25710 1 16 70 GLU . 25710 1 17 71 PHE . 25710 1 18 72 TRP . 25710 1 19 73 ASP . 25710 1 20 74 ASN . 25710 1 21 75 LEU . 25710 1 22 76 GLU . 25710 1 23 77 LYS . 25710 1 24 78 GLU . 25710 1 25 79 THR . 25710 1 26 80 GLU . 25710 1 27 81 GLY . 25710 1 28 82 LEU . 25710 1 29 83 ARG . 25710 1 30 84 GLN . 25710 1 31 85 GLU . 25710 1 32 86 MET . 25710 1 33 87 SER . 25710 1 34 88 LYS . 25710 1 35 89 ASP . 25710 1 36 90 LEU . 25710 1 37 91 GLU . 25710 1 38 92 GLU . 25710 1 39 93 VAL . 25710 1 40 94 LYS . 25710 1 41 95 ALA . 25710 1 42 96 LYS . 25710 1 43 97 VAL . 25710 1 44 98 GLN . 25710 1 45 99 PRO . 25710 1 46 100 TYR . 25710 1 47 101 LEU . 25710 1 48 102 ASP . 25710 1 49 103 ASP . 25710 1 50 104 PHE . 25710 1 51 105 GLN . 25710 1 52 106 LYS . 25710 1 53 107 LYS . 25710 1 54 108 TRP . 25710 1 55 109 GLN . 25710 1 56 110 GLU . 25710 1 57 111 GLU . 25710 1 58 112 MET . 25710 1 59 113 GLU . 25710 1 60 114 LEU . 25710 1 61 115 TYR . 25710 1 62 116 ARG . 25710 1 63 117 GLN . 25710 1 64 118 LYS . 25710 1 65 119 VAL . 25710 1 66 120 GLU . 25710 1 67 143 PRO . 25710 1 68 144 LEU . 25710 1 69 145 GLY . 25710 1 70 146 GLU . 25710 1 71 147 GLU . 25710 1 72 148 MET . 25710 1 73 149 ARG . 25710 1 74 150 ASP . 25710 1 75 151 ARG . 25710 1 76 152 ALA . 25710 1 77 153 ARG . 25710 1 78 154 ALA . 25710 1 79 155 HIS . 25710 1 80 156 VAL . 25710 1 81 157 ASP . 25710 1 82 158 ALA . 25710 1 83 159 LEU . 25710 1 84 160 ARG . 25710 1 85 161 THR . 25710 1 86 162 HIS . 25710 1 87 163 LEU . 25710 1 88 164 ALA . 25710 1 89 165 PRO . 25710 1 90 166 TYR . 25710 1 91 167 SER . 25710 1 92 168 ASP . 25710 1 93 169 GLU . 25710 1 94 170 LEU . 25710 1 95 171 ARG . 25710 1 96 172 GLN . 25710 1 97 173 ARG . 25710 1 98 174 LEU . 25710 1 99 175 ALA . 25710 1 100 176 ALA . 25710 1 101 177 ARG . 25710 1 102 178 LEU . 25710 1 103 179 GLU . 25710 1 104 180 ALA . 25710 1 105 181 LEU . 25710 1 106 182 LYS . 25710 1 107 183 GLU . 25710 1 108 184 ASN . 25710 1 109 185 GLY . 25710 1 110 186 GLY . 25710 1 111 187 ALA . 25710 1 112 188 ARG . 25710 1 113 189 LEU . 25710 1 114 190 ALA . 25710 1 115 191 GLU . 25710 1 116 192 TYR . 25710 1 117 193 HIS . 25710 1 118 194 ALA . 25710 1 119 195 LYS . 25710 1 120 196 ALA . 25710 1 121 197 THR . 25710 1 122 198 GLU . 25710 1 123 199 HIS . 25710 1 124 200 LEU . 25710 1 125 201 SER . 25710 1 126 202 THR . 25710 1 127 203 LEU . 25710 1 128 204 SER . 25710 1 129 205 GLU . 25710 1 130 206 LYS . 25710 1 131 207 ALA . 25710 1 132 208 LYS . 25710 1 133 209 PRO . 25710 1 134 210 ALA . 25710 1 135 211 LEU . 25710 1 136 212 GLU . 25710 1 137 213 ASP . 25710 1 138 214 LEU . 25710 1 139 215 ARG . 25710 1 140 216 GLN . 25710 1 141 217 GLY . 25710 1 142 218 LEU . 25710 1 143 219 LEU . 25710 1 144 220 PRO . 25710 1 145 221 VAL . 25710 1 146 222 LEU . 25710 1 147 223 GLU . 25710 1 148 224 SER . 25710 1 149 225 PHE . 25710 1 150 226 LYS . 25710 1 151 227 VAL . 25710 1 152 228 SER . 25710 1 153 229 PHE . 25710 1 154 230 LEU . 25710 1 155 231 SER . 25710 1 156 232 ALA . 25710 1 157 233 LEU . 25710 1 158 234 GLU . 25710 1 159 235 GLU . 25710 1 160 236 TYR . 25710 1 161 237 THR . 25710 1 162 238 LYS . 25710 1 163 239 LYS . 25710 1 164 240 LEU . 25710 1 165 241 ASN . 25710 1 166 242 THR . 25710 1 167 243 GLN . 25710 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 25710 1 . THR 2 2 25710 1 . PHE 3 3 25710 1 . SER 4 4 25710 1 . LYS 5 5 25710 1 . LEU 6 6 25710 1 . ARG 7 7 25710 1 . GLU 8 8 25710 1 . GLN 9 9 25710 1 . LEU 10 10 25710 1 . GLY 11 11 25710 1 . PRO 12 12 25710 1 . VAL 13 13 25710 1 . THR 14 14 25710 1 . GLN 15 15 25710 1 . GLU 16 16 25710 1 . PHE 17 17 25710 1 . TRP 18 18 25710 1 . ASP 19 19 25710 1 . ASN 20 20 25710 1 . LEU 21 21 25710 1 . GLU 22 22 25710 1 . LYS 23 23 25710 1 . GLU 24 24 25710 1 . THR 25 25 25710 1 . GLU 26 26 25710 1 . GLY 27 27 25710 1 . LEU 28 28 25710 1 . ARG 29 29 25710 1 . GLN 30 30 25710 1 . GLU 31 31 25710 1 . MET 32 32 25710 1 . SER 33 33 25710 1 . LYS 34 34 25710 1 . ASP 35 35 25710 1 . LEU 36 36 25710 1 . GLU 37 37 25710 1 . GLU 38 38 25710 1 . VAL 39 39 25710 1 . LYS 40 40 25710 1 . ALA 41 41 25710 1 . LYS 42 42 25710 1 . VAL 43 43 25710 1 . GLN 44 44 25710 1 . PRO 45 45 25710 1 . TYR 46 46 25710 1 . LEU 47 47 25710 1 . ASP 48 48 25710 1 . ASP 49 49 25710 1 . PHE 50 50 25710 1 . GLN 51 51 25710 1 . LYS 52 52 25710 1 . LYS 53 53 25710 1 . TRP 54 54 25710 1 . GLN 55 55 25710 1 . GLU 56 56 25710 1 . GLU 57 57 25710 1 . MET 58 58 25710 1 . GLU 59 59 25710 1 . LEU 60 60 25710 1 . TYR 61 61 25710 1 . ARG 62 62 25710 1 . GLN 63 63 25710 1 . LYS 64 64 25710 1 . VAL 65 65 25710 1 . GLU 66 66 25710 1 . PRO 67 67 25710 1 . LEU 68 68 25710 1 . GLY 69 69 25710 1 . GLU 70 70 25710 1 . GLU 71 71 25710 1 . MET 72 72 25710 1 . ARG 73 73 25710 1 . ASP 74 74 25710 1 . ARG 75 75 25710 1 . ALA 76 76 25710 1 . ARG 77 77 25710 1 . ALA 78 78 25710 1 . HIS 79 79 25710 1 . VAL 80 80 25710 1 . ASP 81 81 25710 1 . ALA 82 82 25710 1 . LEU 83 83 25710 1 . ARG 84 84 25710 1 . THR 85 85 25710 1 . HIS 86 86 25710 1 . LEU 87 87 25710 1 . ALA 88 88 25710 1 . PRO 89 89 25710 1 . TYR 90 90 25710 1 . SER 91 91 25710 1 . ASP 92 92 25710 1 . GLU 93 93 25710 1 . LEU 94 94 25710 1 . ARG 95 95 25710 1 . GLN 96 96 25710 1 . ARG 97 97 25710 1 . LEU 98 98 25710 1 . ALA 99 99 25710 1 . ALA 100 100 25710 1 . ARG 101 101 25710 1 . LEU 102 102 25710 1 . GLU 103 103 25710 1 . ALA 104 104 25710 1 . LEU 105 105 25710 1 . LYS 106 106 25710 1 . GLU 107 107 25710 1 . ASN 108 108 25710 1 . GLY 109 109 25710 1 . GLY 110 110 25710 1 . ALA 111 111 25710 1 . ARG 112 112 25710 1 . LEU 113 113 25710 1 . ALA 114 114 25710 1 . GLU 115 115 25710 1 . TYR 116 116 25710 1 . HIS 117 117 25710 1 . ALA 118 118 25710 1 . LYS 119 119 25710 1 . ALA 120 120 25710 1 . THR 121 121 25710 1 . GLU 122 122 25710 1 . HIS 123 123 25710 1 . LEU 124 124 25710 1 . SER 125 125 25710 1 . THR 126 126 25710 1 . LEU 127 127 25710 1 . SER 128 128 25710 1 . GLU 129 129 25710 1 . LYS 130 130 25710 1 . ALA 131 131 25710 1 . LYS 132 132 25710 1 . PRO 133 133 25710 1 . ALA 134 134 25710 1 . LEU 135 135 25710 1 . GLU 136 136 25710 1 . ASP 137 137 25710 1 . LEU 138 138 25710 1 . ARG 139 139 25710 1 . GLN 140 140 25710 1 . GLY 141 141 25710 1 . LEU 142 142 25710 1 . LEU 143 143 25710 1 . PRO 144 144 25710 1 . VAL 145 145 25710 1 . LEU 146 146 25710 1 . GLU 147 147 25710 1 . SER 148 148 25710 1 . PHE 149 149 25710 1 . LYS 150 150 25710 1 . VAL 151 151 25710 1 . SER 152 152 25710 1 . PHE 153 153 25710 1 . LEU 154 154 25710 1 . SER 155 155 25710 1 . ALA 156 156 25710 1 . LEU 157 157 25710 1 . GLU 158 158 25710 1 . GLU 159 159 25710 1 . TYR 160 160 25710 1 . THR 161 161 25710 1 . LYS 162 162 25710 1 . LYS 163 163 25710 1 . LEU 164 164 25710 1 . ASN 165 165 25710 1 . THR 166 166 25710 1 . GLN 167 167 25710 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 25710 _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 $entity . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 25710 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 25710 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pet28a . . . 25710 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25710 _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 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 0.75 0.5 1.0 mM . . . . 25710 1 2 entity 'stereospecific Methyl-labeling' . . 1 $entity . . 1 . . mM . . . . 25710 1 3 entity 'selective unlabeling' . . 1 $entity . . 1 . . mM . . . . 25710 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 25710 _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' 100 . mM 25710 1 pH 7.4 . pH 25710 1 pressure 1 . atm 25710 1 temperature 316 . K 25710 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25710 _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 . . 25710 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25710 1 stop_ save_ save_Cyana _Software.Sf_category software _Software.Sf_framecode Cyana _Software.Entry_ID 25710 _Software.ID 2 _Software.Name Cyana _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Braun and Wuthrich' . . 25710 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25710 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_900 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 900 _NMR_spectrometer.Entry_ID 25710 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_700 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 700 _NMR_spectrometer.Entry_ID 25710 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600 _NMR_spectrometer.Entry_ID 25710 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 25710 _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 1 900 Bruker Avance . 900 . . . 25710 1 2 700 Bruker Avance . 700 . . . 25710 1 3 600 Bruker Avance . 600 . . . 25710 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 25710 _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 $900 . . . . . . . . . . . . . . . . 25710 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $600 . . . . . . . . . . . . . . . . 25710 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $700 . . . . . . . . . . . . . . . . 25710 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $700 . . . . . . . . . . . . . . . . 25710 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $900 . . . . . . . . . . . . . . . . 25710 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $600 . . . . . . . . . . . . . . . . 25710 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 25710 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25710 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25710 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25710 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 25710 _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' . . . 25710 1 2 '3D HNCO' . . . 25710 1 3 '3D HNCA' . . . 25710 1 4 '3D HNCACB' . . . 25710 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 PHE C C 13 174.645 . . . . . . A 57 PHE C . 25710 1 2 . 1 1 4 4 SER H H 1 8.2 . . . . . . A 58 SER H . 25710 1 3 . 1 1 4 4 SER C C 13 174.183 . . . . . . A 58 SER C . 25710 1 4 . 1 1 4 4 SER CA C 13 61.882 . . . . . . A 58 SER CA . 25710 1 5 . 1 1 4 4 SER N N 15 115.491 . . . . . . A 58 SER N . 25710 1 6 . 1 1 5 5 LYS H H 1 7.965 . . . . . . A 59 LYS H . 25710 1 7 . 1 1 5 5 LYS C C 13 176.404 . . . . . . A 59 LYS C . 25710 1 8 . 1 1 5 5 LYS CA C 13 58.188 . . . . . . A 59 LYS CA . 25710 1 9 . 1 1 5 5 LYS CB C 13 29.6 . . . . . . A 59 LYS CB . 25710 1 10 . 1 1 5 5 LYS N N 15 122.266 . . . . . . A 59 LYS N . 25710 1 11 . 1 1 6 6 LEU H H 1 7.918 . . . . . . A 60 LEU H . 25710 1 12 . 1 1 6 6 LEU C C 13 176.151 . . . . . . A 60 LEU C . 25710 1 13 . 1 1 6 6 LEU CA C 13 57.944 . . . . . . A 60 LEU CA . 25710 1 14 . 1 1 6 6 LEU CB C 13 40.67 . . . . . . A 60 LEU CB . 25710 1 15 . 1 1 6 6 LEU N N 15 119.8 . . . . . . A 60 LEU N . 25710 1 16 . 1 1 7 7 ARG H H 1 8.165 . . . . . . A 61 ARG H . 25710 1 17 . 1 1 7 7 ARG C C 13 176.448 . . . . . . A 61 ARG C . 25710 1 18 . 1 1 7 7 ARG CA C 13 58.448 . . . . . . A 61 ARG CA . 25710 1 19 . 1 1 7 7 ARG N N 15 118.521 . . . . . . A 61 ARG N . 25710 1 20 . 1 1 8 8 GLU H H 1 7.948 . . . . . . A 62 GLU H . 25710 1 21 . 1 1 8 8 GLU C C 13 176.377 . . . . . . A 62 GLU C . 25710 1 22 . 1 1 8 8 GLU CA C 13 58.925 . . . . . . A 62 GLU CA . 25710 1 23 . 1 1 8 8 GLU CB C 13 26.25 . . . . . . A 62 GLU CB . 25710 1 24 . 1 1 8 8 GLU N N 15 118.918 . . . . . . A 62 GLU N . 25710 1 25 . 1 1 9 9 GLN H H 1 7.978 . . . . . . A 63 GLN H . 25710 1 26 . 1 1 9 9 GLN C C 13 175.056 . . . . . . A 63 GLN C . 25710 1 27 . 1 1 9 9 GLN CA C 13 57.235 . . . . . . A 63 GLN CA . 25710 1 28 . 1 1 9 9 GLN CB C 13 28.3 . . . . . . A 63 GLN CB . 25710 1 29 . 1 1 9 9 GLN N N 15 116.756 . . . . . . A 63 GLN N . 25710 1 30 . 1 1 10 10 LEU H H 1 8.083 . . . . . . A 64 LEU H . 25710 1 31 . 1 1 10 10 LEU C C 13 175.874 . . . . . . A 64 LEU C . 25710 1 32 . 1 1 10 10 LEU CA C 13 55.418 . . . . . . A 64 LEU CA . 25710 1 33 . 1 1 10 10 LEU CB C 13 41.46 . . . . . . A 64 LEU CB . 25710 1 34 . 1 1 10 10 LEU N N 15 116.627 . . . . . . A 64 LEU N . 25710 1 35 . 1 1 11 11 GLY H H 1 8.134 . . . . . . A 65 GLY H . 25710 1 36 . 1 1 11 11 GLY CA C 13 47.72 . . . . . . A 65 GLY CA . 25710 1 37 . 1 1 11 11 GLY N N 15 109.327 . . . . . . A 65 GLY N . 25710 1 38 . 1 1 12 12 PRO C C 13 176.794 . . . . . . A 66 PRO C . 25710 1 39 . 1 1 12 12 PRO CA C 13 65.428 . . . . . . A 66 PRO CA . 25710 1 40 . 1 1 13 13 VAL H H 1 7.466 . . . . . . A 67 VAL H . 25710 1 41 . 1 1 13 13 VAL C C 13 175.404 . . . . . . A 67 VAL C . 25710 1 42 . 1 1 13 13 VAL CA C 13 65.053 . . . . . . A 67 VAL CA . 25710 1 43 . 1 1 13 13 VAL CB C 13 30.99 . . . . . . A 67 VAL CB . 25710 1 44 . 1 1 13 13 VAL N N 15 116.1 . . . . . . A 67 VAL N . 25710 1 45 . 1 1 14 14 THR H H 1 8.148 . . . . . . A 68 THR H . 25710 1 46 . 1 1 14 14 THR C C 13 173.772 . . . . . . A 68 THR C . 25710 1 47 . 1 1 14 14 THR CA C 13 66.084 . . . . . . A 68 THR CA . 25710 1 48 . 1 1 14 14 THR CB C 13 67.3 . . . . . . A 68 THR CB . 25710 1 49 . 1 1 14 14 THR N N 15 115.202 . . . . . . A 68 THR N . 25710 1 50 . 1 1 15 15 GLN H H 1 8.313 . . . . . . A 69 GLN H . 25710 1 51 . 1 1 15 15 GLN C C 13 175.243 . . . . . . A 69 GLN C . 25710 1 52 . 1 1 15 15 GLN CA C 13 59.032 . . . . . . A 69 GLN CA . 25710 1 53 . 1 1 15 15 GLN CB C 13 27.6 . . . . . . A 69 GLN CB . 25710 1 54 . 1 1 15 15 GLN N N 15 122.076 . . . . . . A 69 GLN N . 25710 1 55 . 1 1 16 16 GLU H H 1 8.054 . . . . . . A 70 GLU H . 25710 1 56 . 1 1 16 16 GLU C C 13 177.135 . . . . . . A 70 GLU C . 25710 1 57 . 1 1 16 16 GLU CA C 13 58.281 . . . . . . A 70 GLU CA . 25710 1 58 . 1 1 16 16 GLU CB C 13 28.27 . . . . . . A 70 GLU CB . 25710 1 59 . 1 1 16 16 GLU N N 15 119.382 . . . . . . A 70 GLU N . 25710 1 60 . 1 1 17 17 PHE H H 1 8.275 . . . . . . A 71 PHE H . 25710 1 61 . 1 1 17 17 PHE C C 13 174.603 . . . . . . A 71 PHE C . 25710 1 62 . 1 1 17 17 PHE CA C 13 61.59 . . . . . . A 71 PHE CA . 25710 1 63 . 1 1 17 17 PHE CB C 13 39.16 . . . . . . A 71 PHE CB . 25710 1 64 . 1 1 17 17 PHE N N 15 121.419 . . . . . . A 71 PHE N . 25710 1 65 . 1 1 18 18 TRP H H 1 8.397 . . . . . . A 72 TRP H . 25710 1 66 . 1 1 18 18 TRP C C 13 175.427 . . . . . . A 72 TRP C . 25710 1 67 . 1 1 18 18 TRP CA C 13 59.945 . . . . . . A 72 TRP CA . 25710 1 68 . 1 1 18 18 TRP CB C 13 29.1 . . . . . . A 72 TRP CB . 25710 1 69 . 1 1 18 18 TRP N N 15 120.489 . . . . . . A 72 TRP N . 25710 1 70 . 1 1 19 19 ASP H H 1 8.85 . . . . . . A 73 ASP H . 25710 1 71 . 1 1 19 19 ASP C C 13 176.891 . . . . . . A 73 ASP C . 25710 1 72 . 1 1 19 19 ASP CA C 13 57.384 . . . . . . A 73 ASP CA . 25710 1 73 . 1 1 19 19 ASP CB C 13 39.84 . . . . . . A 73 ASP CB . 25710 1 74 . 1 1 19 19 ASP N N 15 119.582 . . . . . . A 73 ASP N . 25710 1 75 . 1 1 20 20 ASN H H 1 8.182 . . . . . . A 74 ASN H . 25710 1 76 . 1 1 20 20 ASN C C 13 174.589 . . . . . . A 74 ASN C . 25710 1 77 . 1 1 20 20 ASN CA C 13 56.169 . . . . . . A 74 ASN CA . 25710 1 78 . 1 1 20 20 ASN N N 15 118.204 . . . . . . A 74 ASN N . 25710 1 79 . 1 1 21 21 LEU H H 1 8.203 . . . . . . A 75 LEU H . 25710 1 80 . 1 1 21 21 LEU C C 13 177.214 . . . . . . A 75 LEU C . 25710 1 81 . 1 1 21 21 LEU CA C 13 57.862 . . . . . . A 75 LEU CA . 25710 1 82 . 1 1 21 21 LEU CB C 13 40.4 . . . . . . A 75 LEU CB . 25710 1 83 . 1 1 21 21 LEU N N 15 122.29 . . . . . . A 75 LEU N . 25710 1 84 . 1 1 22 22 GLU H H 1 8.51 . . . . . . A 76 GLU H . 25710 1 85 . 1 1 22 22 GLU C C 13 176.374 . . . . . . A 76 GLU C . 25710 1 86 . 1 1 22 22 GLU CA C 13 59.835 . . . . . . A 76 GLU CA . 25710 1 87 . 1 1 22 22 GLU CB C 13 28.24 . . . . . . A 76 GLU CB . 25710 1 88 . 1 1 22 22 GLU N N 15 121.591 . . . . . . A 76 GLU N . 25710 1 89 . 1 1 23 23 LYS H H 1 7.883 . . . . . . A 77 LYS H . 25710 1 90 . 1 1 23 23 LYS C C 13 177.835 . . . . . . A 77 LYS C . 25710 1 91 . 1 1 23 23 LYS CA C 13 59.22 . . . . . . A 77 LYS CA . 25710 1 92 . 1 1 23 23 LYS CB C 13 31.4 . . . . . . A 77 LYS CB . 25710 1 93 . 1 1 23 23 LYS N N 15 119.498 . . . . . . A 77 LYS N . 25710 1 94 . 1 1 24 24 GLU H H 1 8.494 . . . . . . A 78 GLU H . 25710 1 95 . 1 1 24 24 GLU CA C 13 57.979 . . . . . . A 78 GLU CA . 25710 1 96 . 1 1 24 24 GLU CB C 13 28.5 . . . . . . A 78 GLU CB . 25710 1 97 . 1 1 24 24 GLU N N 15 117.968 . . . . . . A 78 GLU N . 25710 1 98 . 1 1 25 25 THR C C 13 172.804 . . . . . . A 79 THR C . 25710 1 99 . 1 1 25 25 THR CA C 13 63.505 . . . . . . A 79 THR CA . 25710 1 100 . 1 1 26 26 GLU H H 1 7.779 . . . . . . A 80 GLU H . 25710 1 101 . 1 1 26 26 GLU C C 13 176.023 . . . . . . A 80 GLU C . 25710 1 102 . 1 1 26 26 GLU CA C 13 59.811 . . . . . . A 80 GLU CA . 25710 1 103 . 1 1 26 26 GLU CB C 13 28.38 . . . . . . A 80 GLU CB . 25710 1 104 . 1 1 26 26 GLU N N 15 124.888 . . . . . . A 80 GLU N . 25710 1 105 . 1 1 27 27 GLY H H 1 8.425 . . . . . . A 81 GLY H . 25710 1 106 . 1 1 27 27 GLY C C 13 173.86 . . . . . . A 81 GLY C . 25710 1 107 . 1 1 27 27 GLY CA C 13 46.828 . . . . . . A 81 GLY CA . 25710 1 108 . 1 1 27 27 GLY N N 15 107.988 . . . . . . A 81 GLY N . 25710 1 109 . 1 1 28 28 LEU H H 1 7.978 . . . . . . A 82 LEU H . 25710 1 110 . 1 1 28 28 LEU C C 13 176.341 . . . . . . A 82 LEU C . 25710 1 111 . 1 1 28 28 LEU CA C 13 57.446 . . . . . . A 82 LEU CA . 25710 1 112 . 1 1 28 28 LEU CB C 13 41.24 . . . . . . A 82 LEU CB . 25710 1 113 . 1 1 28 28 LEU N N 15 123.241 . . . . . . A 82 LEU N . 25710 1 114 . 1 1 29 29 ARG H H 1 8.566 . . . . . . A 83 ARG H . 25710 1 115 . 1 1 29 29 ARG CA C 13 60.136 . . . . . . A 83 ARG CA . 25710 1 116 . 1 1 29 29 ARG CB C 13 28.91 . . . . . . A 83 ARG CB . 25710 1 117 . 1 1 29 29 ARG N N 15 118.722 . . . . . . A 83 ARG N . 25710 1 118 . 1 1 30 30 GLN C C 13 174.576 . . . . . . A 84 GLN C . 25710 1 119 . 1 1 31 31 GLU H H 1 8.504 . . . . . . A 85 GLU H . 25710 1 120 . 1 1 31 31 GLU C C 13 176.257 . . . . . . A 85 GLU C . 25710 1 121 . 1 1 31 31 GLU CA C 13 59.273 . . . . . . A 85 GLU CA . 25710 1 122 . 1 1 31 31 GLU CB C 13 28.22 . . . . . . A 85 GLU CB . 25710 1 123 . 1 1 31 31 GLU N N 15 117.829 . . . . . . A 85 GLU N . 25710 1 124 . 1 1 32 32 MET H H 1 8.517 . . . . . . A 86 MET H . 25710 1 125 . 1 1 32 32 MET C C 13 175.706 . . . . . . A 86 MET C . 25710 1 126 . 1 1 32 32 MET CA C 13 58.572 . . . . . . A 86 MET CA . 25710 1 127 . 1 1 32 32 MET N N 15 116.8 . . . . . . A 86 MET N . 25710 1 128 . 1 1 33 33 SER H H 1 8.159 . . . . . . A 87 SER H . 25710 1 129 . 1 1 33 33 SER C C 13 174.09 . . . . . . A 87 SER C . 25710 1 130 . 1 1 33 33 SER CA C 13 62.185 . . . . . . A 87 SER CA . 25710 1 131 . 1 1 33 33 SER N N 15 114.432 . . . . . . A 87 SER N . 25710 1 132 . 1 1 34 34 LYS H H 1 7.672 . . . . . . A 88 LYS H . 25710 1 133 . 1 1 34 34 LYS C C 13 176.615 . . . . . . A 88 LYS C . 25710 1 134 . 1 1 34 34 LYS CA C 13 59.168 . . . . . . A 88 LYS CA . 25710 1 135 . 1 1 34 34 LYS CB C 13 30.74 . . . . . . A 88 LYS CB . 25710 1 136 . 1 1 34 34 LYS N N 15 122.572 . . . . . . A 88 LYS N . 25710 1 137 . 1 1 35 35 ASP H H 1 8.097 . . . . . . A 89 ASP H . 25710 1 138 . 1 1 35 35 ASP C C 13 176.034 . . . . . . A 89 ASP C . 25710 1 139 . 1 1 35 35 ASP CA C 13 57.582 . . . . . . A 89 ASP CA . 25710 1 140 . 1 1 35 35 ASP CB C 13 40.07 . . . . . . A 89 ASP CB . 25710 1 141 . 1 1 35 35 ASP N N 15 120.745 . . . . . . A 89 ASP N . 25710 1 142 . 1 1 36 36 LEU H H 1 8.248 . . . . . . A 90 LEU H . 25710 1 143 . 1 1 36 36 LEU C C 13 176.687 . . . . . . A 90 LEU C . 25710 1 144 . 1 1 36 36 LEU CA C 13 57.848 . . . . . . A 90 LEU CA . 25710 1 145 . 1 1 36 36 LEU CB C 13 40.1 . . . . . . A 90 LEU CB . 25710 1 146 . 1 1 36 36 LEU N N 15 119.157 . . . . . . A 90 LEU N . 25710 1 147 . 1 1 37 37 GLU H H 1 8.307 . . . . . . A 91 GLU H . 25710 1 148 . 1 1 37 37 GLU C C 13 176.742 . . . . . . A 91 GLU C . 25710 1 149 . 1 1 37 37 GLU CA C 13 58.984 . . . . . . A 91 GLU CA . 25710 1 150 . 1 1 37 37 GLU CB C 13 28.7 . . . . . . A 91 GLU CB . 25710 1 151 . 1 1 37 37 GLU N N 15 121.451 . . . . . . A 91 GLU N . 25710 1 152 . 1 1 38 38 GLU H H 1 8.167 . . . . . . A 92 GLU H . 25710 1 153 . 1 1 38 38 GLU C C 13 176.709 . . . . . . A 92 GLU C . 25710 1 154 . 1 1 38 38 GLU CA C 13 58.894 . . . . . . A 92 GLU CA . 25710 1 155 . 1 1 38 38 GLU CB C 13 28.35 . . . . . . A 92 GLU CB . 25710 1 156 . 1 1 38 38 GLU N N 15 120.176 . . . . . . A 92 GLU N . 25710 1 157 . 1 1 39 39 VAL H H 1 8.188 . . . . . . A 93 VAL H . 25710 1 158 . 1 1 39 39 VAL C C 13 175.297 . . . . . . A 93 VAL C . 25710 1 159 . 1 1 39 39 VAL CA C 13 66.214 . . . . . . A 93 VAL CA . 25710 1 160 . 1 1 39 39 VAL CB C 13 30.8 . . . . . . A 93 VAL CB . 25710 1 161 . 1 1 39 39 VAL N N 15 118.923 . . . . . . A 93 VAL N . 25710 1 162 . 1 1 40 40 LYS H H 1 8.497 . . . . . . A 94 LYS H . 25710 1 163 . 1 1 40 40 LYS C C 13 175.565 . . . . . . A 94 LYS C . 25710 1 164 . 1 1 40 40 LYS CA C 13 60.424 . . . . . . A 94 LYS CA . 25710 1 165 . 1 1 40 40 LYS N N 15 120.013 . . . . . . A 94 LYS N . 25710 1 166 . 1 1 41 41 ALA H H 1 7.719 . . . . . . A 95 ALA H . 25710 1 167 . 1 1 41 41 ALA C C 13 177.868 . . . . . . A 95 ALA C . 25710 1 168 . 1 1 41 41 ALA CA C 13 54.425 . . . . . . A 95 ALA CA . 25710 1 169 . 1 1 41 41 ALA CB C 13 17.25 . . . . . . A 95 ALA CB . 25710 1 170 . 1 1 41 41 ALA N N 15 118.713 . . . . . . A 95 ALA N . 25710 1 171 . 1 1 42 42 LYS H H 1 7.728 . . . . . . A 96 LYS H . 25710 1 172 . 1 1 42 42 LYS CA C 13 57.637 . . . . . . A 96 LYS CA . 25710 1 173 . 1 1 42 42 LYS N N 15 116.115 . . . . . . A 96 LYS N . 25710 1 174 . 1 1 45 45 PRO C C 13 176.802 . . . . . . A 99 PRO C . 25710 1 175 . 1 1 45 45 PRO CA C 13 65.946 . . . . . . A 99 PRO CA . 25710 1 176 . 1 1 46 46 TYR H H 1 7.348 . . . . . . A 100 TYR H . 25710 1 177 . 1 1 46 46 TYR C C 13 175.26 . . . . . . A 100 TYR C . 25710 1 178 . 1 1 46 46 TYR CA C 13 60.36 . . . . . . A 100 TYR CA . 25710 1 179 . 1 1 46 46 TYR N N 15 116.081 . . . . . . A 100 TYR N . 25710 1 180 . 1 1 47 47 LEU H H 1 7.988 . . . . . . A 101 LEU H . 25710 1 181 . 1 1 47 47 LEU C C 13 176.759 . . . . . . A 101 LEU C . 25710 1 182 . 1 1 47 47 LEU CA C 13 57.582 . . . . . . A 101 LEU CA . 25710 1 183 . 1 1 47 47 LEU N N 15 120.5 . . . . . . A 101 LEU N . 25710 1 184 . 1 1 48 48 ASP H H 1 8.608 . . . . . . A 102 ASP H . 25710 1 185 . 1 1 48 48 ASP C C 13 176.401 . . . . . . A 102 ASP C . 25710 1 186 . 1 1 48 48 ASP CA C 13 57.151 . . . . . . A 102 ASP CA . 25710 1 187 . 1 1 48 48 ASP CB C 13 40.07 . . . . . . A 102 ASP CB . 25710 1 188 . 1 1 48 48 ASP N N 15 120.49 . . . . . . A 102 ASP N . 25710 1 189 . 1 1 49 49 ASP H H 1 7.677 . . . . . . A 103 ASP H . 25710 1 190 . 1 1 49 49 ASP C C 13 175.708 . . . . . . A 103 ASP C . 25710 1 191 . 1 1 49 49 ASP CA C 13 57.26 . . . . . . A 103 ASP CA . 25710 1 192 . 1 1 49 49 ASP CB C 13 40.55 . . . . . . A 103 ASP CB . 25710 1 193 . 1 1 49 49 ASP N N 15 120.918 . . . . . . A 103 ASP N . 25710 1 194 . 1 1 50 50 PHE H H 1 8.571 . . . . . . A 104 PHE H . 25710 1 195 . 1 1 50 50 PHE C C 13 173.268 . . . . . . A 104 PHE C . 25710 1 196 . 1 1 50 50 PHE CA C 13 61.361 . . . . . . A 104 PHE CA . 25710 1 197 . 1 1 50 50 PHE N N 15 120.519 . . . . . . A 104 PHE N . 25710 1 198 . 1 1 51 51 GLN H H 1 7.944 . . . . . . A 105 GLN H . 25710 1 199 . 1 1 51 51 GLN C C 13 175.749 . . . . . . A 105 GLN C . 25710 1 200 . 1 1 51 51 GLN CA C 13 57.026 . . . . . . A 105 GLN CA . 25710 1 201 . 1 1 51 51 GLN CB C 13 29.5 . . . . . . A 105 GLN CB . 25710 1 202 . 1 1 51 51 GLN N N 15 122.603 . . . . . . A 105 GLN N . 25710 1 203 . 1 1 52 52 LYS H H 1 7.642 . . . . . . A 106 LYS H . 25710 1 204 . 1 1 52 52 LYS C C 13 176.851 . . . . . . A 106 LYS C . 25710 1 205 . 1 1 52 52 LYS CA C 13 58.825 . . . . . . A 106 LYS CA . 25710 1 206 . 1 1 52 52 LYS CB C 13 31.14 . . . . . . A 106 LYS CB . 25710 1 207 . 1 1 52 52 LYS N N 15 119.425 . . . . . . A 106 LYS N . 25710 1 208 . 1 1 53 53 LYS H H 1 7.946 . . . . . . A 107 LYS H . 25710 1 209 . 1 1 53 53 LYS C C 13 176.424 . . . . . . A 107 LYS C . 25710 1 210 . 1 1 53 53 LYS CA C 13 57.811 . . . . . . A 107 LYS CA . 25710 1 211 . 1 1 53 53 LYS CB C 13 31.2 . . . . . . A 107 LYS CB . 25710 1 212 . 1 1 53 53 LYS N N 15 120.133 . . . . . . A 107 LYS N . 25710 1 213 . 1 1 54 54 TRP H H 1 8.253 . . . . . . A 108 TRP H . 25710 1 214 . 1 1 54 54 TRP C C 13 175.112 . . . . . . A 108 TRP C . 25710 1 215 . 1 1 54 54 TRP CA C 13 58.576 . . . . . . A 108 TRP CA . 25710 1 216 . 1 1 54 54 TRP CB C 13 28.88 . . . . . . A 108 TRP CB . 25710 1 217 . 1 1 54 54 TRP N N 15 118.987 . . . . . . A 108 TRP N . 25710 1 218 . 1 1 55 55 GLN H H 1 7.962 . . . . . . A 109 GLN H . 25710 1 219 . 1 1 55 55 GLN C C 13 176.998 . . . . . . A 109 GLN C . 25710 1 220 . 1 1 55 55 GLN CA C 13 58.979 . . . . . . A 109 GLN CA . 25710 1 221 . 1 1 55 55 GLN CB C 13 28.28 . . . . . . A 109 GLN CB . 25710 1 222 . 1 1 55 55 GLN N N 15 117.114 . . . . . . A 109 GLN N . 25710 1 223 . 1 1 56 56 GLU H H 1 8.066 . . . . . . A 110 GLU H . 25710 1 224 . 1 1 56 56 GLU C C 13 175.93 . . . . . . A 110 GLU C . 25710 1 225 . 1 1 56 56 GLU CA C 13 59.313 . . . . . . A 110 GLU CA . 25710 1 226 . 1 1 56 56 GLU CB C 13 28.7 . . . . . . A 110 GLU CB . 25710 1 227 . 1 1 56 56 GLU N N 15 120.173 . . . . . . A 110 GLU N . 25710 1 228 . 1 1 57 57 GLU H H 1 7.71 . . . . . . A 111 GLU H . 25710 1 229 . 1 1 57 57 GLU C C 13 177.106 . . . . . . A 111 GLU C . 25710 1 230 . 1 1 57 57 GLU CA C 13 59.13 . . . . . . A 111 GLU CA . 25710 1 231 . 1 1 57 57 GLU CB C 13 28.77 . . . . . . A 111 GLU CB . 25710 1 232 . 1 1 57 57 GLU N N 15 119.343 . . . . . . A 111 GLU N . 25710 1 233 . 1 1 58 58 MET H H 1 8.373 . . . . . . A 112 MET H . 25710 1 234 . 1 1 58 58 MET C C 13 176.259 . . . . . . A 112 MET C . 25710 1 235 . 1 1 58 58 MET CA C 13 57.825 . . . . . . A 112 MET CA . 25710 1 236 . 1 1 58 58 MET N N 15 118.321 . . . . . . A 112 MET N . 25710 1 237 . 1 1 59 59 GLU H H 1 7.646 . . . . . . A 113 GLU H . 25710 1 238 . 1 1 59 59 GLU C C 13 176.245 . . . . . . A 113 GLU C . 25710 1 239 . 1 1 59 59 GLU CA C 13 58.758 . . . . . . A 113 GLU CA . 25710 1 240 . 1 1 59 59 GLU N N 15 119.756 . . . . . . A 113 GLU N . 25710 1 241 . 1 1 60 60 LEU H H 1 7.753 . . . . . . A 114 LEU H . 25710 1 242 . 1 1 60 60 LEU C C 13 176.16 . . . . . . A 114 LEU C . 25710 1 243 . 1 1 60 60 LEU CA C 13 57.836 . . . . . . A 114 LEU CA . 25710 1 244 . 1 1 60 60 LEU CB C 13 40.6 . . . . . . A 114 LEU CB . 25710 1 245 . 1 1 60 60 LEU N N 15 121.282 . . . . . . A 114 LEU N . 25710 1 246 . 1 1 61 61 TYR H H 1 8.468 . . . . . . A 115 TYR H . 25710 1 247 . 1 1 61 61 TYR C C 13 175.689 . . . . . . A 115 TYR C . 25710 1 248 . 1 1 61 61 TYR CA C 13 58.448 . . . . . . A 115 TYR CA . 25710 1 249 . 1 1 61 61 TYR N N 15 121.3 . . . . . . A 115 TYR N . 25710 1 250 . 1 1 62 62 ARG H H 1 8.603 . . . . . . A 116 ARG H . 25710 1 251 . 1 1 62 62 ARG C C 13 175.4 . . . . . . A 116 ARG C . 25710 1 252 . 1 1 62 62 ARG CA C 13 60.298 . . . . . . A 116 ARG CA . 25710 1 253 . 1 1 62 62 ARG CB C 13 30.8 . . . . . . A 116 ARG CB . 25710 1 254 . 1 1 62 62 ARG N N 15 121.425 . . . . . . A 116 ARG N . 25710 1 255 . 1 1 63 63 GLN H H 1 7.969 . . . . . . A 117 GLN H . 25710 1 256 . 1 1 63 63 GLN CA C 13 57.606 . . . . . . A 117 GLN CA . 25710 1 257 . 1 1 63 63 GLN CB C 13 28.16 . . . . . . A 117 GLN CB . 25710 1 258 . 1 1 63 63 GLN N N 15 114.687 . . . . . . A 117 GLN N . 25710 1 259 . 1 1 65 65 VAL C C 13 174.042 . . . . . . A 119 VAL C . 25710 1 260 . 1 1 65 65 VAL CA C 13 64.397 . . . . . . A 119 VAL CA . 25710 1 261 . 1 1 66 66 GLU H H 1 8.277 . . . . . . A 120 GLU H . 25710 1 262 . 1 1 66 66 GLU CA C 13 57.277 . . . . . . A 120 GLU CA . 25710 1 263 . 1 1 66 66 GLU CB C 13 28.01 . . . . . . A 120 GLU CB . 25710 1 264 . 1 1 66 66 GLU N N 15 121.437 . . . . . . A 120 GLU N . 25710 1 265 . 1 1 67 67 PRO C C 13 177.356 . . . . . . A 143 PRO C . 25710 1 266 . 1 1 67 67 PRO CA C 13 65.49 . . . . . . A 143 PRO CA . 25710 1 267 . 1 1 68 68 LEU H H 1 6.959 . . . . . . A 144 LEU H . 25710 1 268 . 1 1 68 68 LEU C C 13 176.51 . . . . . . A 144 LEU C . 25710 1 269 . 1 1 68 68 LEU CA C 13 57.052 . . . . . . A 144 LEU CA . 25710 1 270 . 1 1 68 68 LEU CB C 13 40.78 . . . . . . A 144 LEU CB . 25710 1 271 . 1 1 68 68 LEU N N 15 119.198 . . . . . . A 144 LEU N . 25710 1 272 . 1 1 69 69 GLY H H 1 8.592 . . . . . . A 145 GLY H . 25710 1 273 . 1 1 69 69 GLY C C 13 172.861 . . . . . . A 145 GLY C . 25710 1 274 . 1 1 69 69 GLY CA C 13 47.371 . . . . . . A 145 GLY CA . 25710 1 275 . 1 1 69 69 GLY N N 15 107.31 . . . . . . A 145 GLY N . 25710 1 276 . 1 1 70 70 GLU H H 1 8.05 . . . . . . A 146 GLU H . 25710 1 277 . 1 1 70 70 GLU C C 13 175.645 . . . . . . A 146 GLU C . 25710 1 278 . 1 1 70 70 GLU CA C 13 59.346 . . . . . . A 146 GLU CA . 25710 1 279 . 1 1 70 70 GLU CB C 13 28.67 . . . . . . A 146 GLU CB . 25710 1 280 . 1 1 70 70 GLU N N 15 121.094 . . . . . . A 146 GLU N . 25710 1 281 . 1 1 71 71 GLU H H 1 7.821 . . . . . . A 147 GLU H . 25710 1 282 . 1 1 71 71 GLU C C 13 176.931 . . . . . . A 147 GLU C . 25710 1 283 . 1 1 71 71 GLU CA C 13 59.14 . . . . . . A 147 GLU CA . 25710 1 284 . 1 1 71 71 GLU CB C 13 28.62 . . . . . . A 147 GLU CB . 25710 1 285 . 1 1 71 71 GLU N N 15 119.868 . . . . . . A 147 GLU N . 25710 1 286 . 1 1 72 72 MET H H 1 8.528 . . . . . . A 148 MET H . 25710 1 287 . 1 1 72 72 MET C C 13 175.449 . . . . . . A 148 MET C . 25710 1 288 . 1 1 72 72 MET CA C 13 59.405 . . . . . . A 148 MET CA . 25710 1 289 . 1 1 72 72 MET N N 15 118.13 . . . . . . A 148 MET N . 25710 1 290 . 1 1 73 73 ARG H H 1 8.369 . . . . . . A 149 ARG H . 25710 1 291 . 1 1 73 73 ARG C C 13 175.618 . . . . . . A 149 ARG C . 25710 1 292 . 1 1 73 73 ARG CA C 13 59.826 . . . . . . A 149 ARG CA . 25710 1 293 . 1 1 73 73 ARG CB C 13 28.6 . . . . . . A 149 ARG CB . 25710 1 294 . 1 1 73 73 ARG N N 15 119.921 . . . . . . A 149 ARG N . 25710 1 295 . 1 1 74 74 ASP H H 1 8.199 . . . . . . A 150 ASP H . 25710 1 296 . 1 1 74 74 ASP C C 13 177.199 . . . . . . A 150 ASP C . 25710 1 297 . 1 1 74 74 ASP CA C 13 57.447 . . . . . . A 150 ASP CA . 25710 1 298 . 1 1 74 74 ASP CB C 13 39.5 . . . . . . A 150 ASP CB . 25710 1 299 . 1 1 74 74 ASP N N 15 120.137 . . . . . . A 150 ASP N . 25710 1 300 . 1 1 75 75 ARG H H 1 8.454 . . . . . . A 151 ARG H . 25710 1 301 . 1 1 75 75 ARG C C 13 176.35 . . . . . . A 151 ARG C . 25710 1 302 . 1 1 75 75 ARG CA C 13 58.434 . . . . . . A 151 ARG CA . 25710 1 303 . 1 1 75 75 ARG CB C 13 28.28 . . . . . . A 151 ARG CB . 25710 1 304 . 1 1 75 75 ARG N N 15 121.013 . . . . . . A 151 ARG N . 25710 1 305 . 1 1 76 76 ALA H H 1 8.629 . . . . . . A 152 ALA H . 25710 1 306 . 1 1 76 76 ALA C C 13 176.883 . . . . . . A 152 ALA C . 25710 1 307 . 1 1 76 76 ALA CA C 13 55.48 . . . . . . A 152 ALA CA . 25710 1 308 . 1 1 76 76 ALA N N 15 122.002 . . . . . . A 152 ALA N . 25710 1 309 . 1 1 77 77 ARG H H 1 8.411 . . . . . . A 153 ARG H . 25710 1 310 . 1 1 77 77 ARG C C 13 175.814 . . . . . . A 153 ARG C . 25710 1 311 . 1 1 77 77 ARG CA C 13 59.289 . . . . . . A 153 ARG CA . 25710 1 312 . 1 1 77 77 ARG CB C 13 29 . . . . . . A 153 ARG CB . 25710 1 313 . 1 1 77 77 ARG N N 15 117.349 . . . . . . A 153 ARG N . 25710 1 314 . 1 1 78 78 ALA H H 1 7.867 . . . . . . A 154 ALA H . 25710 1 315 . 1 1 78 78 ALA C C 13 179.103 . . . . . . A 154 ALA C . 25710 1 316 . 1 1 78 78 ALA CA C 13 54.91 . . . . . . A 154 ALA CA . 25710 1 317 . 1 1 78 78 ALA N N 15 121.601 . . . . . . A 154 ALA N . 25710 1 318 . 1 1 79 79 HIS H H 1 8.168 . . . . . . A 155 HIS H . 25710 1 319 . 1 1 79 79 HIS C C 13 176.712 . . . . . . A 155 HIS C . 25710 1 320 . 1 1 79 79 HIS CA C 13 59.547 . . . . . . A 155 HIS CA . 25710 1 321 . 1 1 79 79 HIS N N 15 119.084 . . . . . . A 155 HIS N . 25710 1 322 . 1 1 80 80 VAL H H 1 8.405 . . . . . . A 156 VAL H . 25710 1 323 . 1 1 80 80 VAL C C 13 175.154 . . . . . . A 156 VAL C . 25710 1 324 . 1 1 80 80 VAL CA C 13 66.929 . . . . . . A 156 VAL CA . 25710 1 325 . 1 1 80 80 VAL N N 15 120.767 . . . . . . A 156 VAL N . 25710 1 326 . 1 1 81 81 ASP H H 1 8.693 . . . . . . A 157 ASP H . 25710 1 327 . 1 1 81 81 ASP C C 13 176.629 . . . . . . A 157 ASP C . 25710 1 328 . 1 1 81 81 ASP CA C 13 57.626 . . . . . . A 157 ASP CA . 25710 1 329 . 1 1 81 81 ASP CB C 13 39.94 . . . . . . A 157 ASP CB . 25710 1 330 . 1 1 81 81 ASP N N 15 121.03 . . . . . . A 157 ASP N . 25710 1 331 . 1 1 82 82 ALA H H 1 8.144 . . . . . . A 158 ALA H . 25710 1 332 . 1 1 82 82 ALA C C 13 177.629 . . . . . . A 158 ALA C . 25710 1 333 . 1 1 82 82 ALA CA C 13 55.029 . . . . . . A 158 ALA CA . 25710 1 334 . 1 1 82 82 ALA CB C 13 17.6 . . . . . . A 158 ALA CB . 25710 1 335 . 1 1 82 82 ALA N N 15 123.014 . . . . . . A 158 ALA N . 25710 1 336 . 1 1 83 83 LEU H H 1 8.096 . . . . . . A 159 LEU H . 25710 1 337 . 1 1 83 83 LEU C C 13 176.278 . . . . . . A 159 LEU C . 25710 1 338 . 1 1 83 83 LEU CA C 13 57.859 . . . . . . A 159 LEU CA . 25710 1 339 . 1 1 83 83 LEU N N 15 120.304 . . . . . . A 159 LEU N . 25710 1 340 . 1 1 84 84 ARG H H 1 8.642 . . . . . . A 160 ARG H . 25710 1 341 . 1 1 84 84 ARG C C 13 175.997 . . . . . . A 160 ARG C . 25710 1 342 . 1 1 84 84 ARG CA C 13 59.96 . . . . . . A 160 ARG CA . 25710 1 343 . 1 1 84 84 ARG N N 15 118.666 . . . . . . A 160 ARG N . 25710 1 344 . 1 1 85 85 THR H H 1 8.262 . . . . . . A 161 THR H . 25710 1 345 . 1 1 85 85 THR C C 13 173.963 . . . . . . A 161 THR C . 25710 1 346 . 1 1 85 85 THR CA C 13 66.227 . . . . . . A 161 THR CA . 25710 1 347 . 1 1 85 85 THR N N 15 114.593 . . . . . . A 161 THR N . 25710 1 348 . 1 1 86 86 HIS H H 1 8.068 . . . . . . A 162 HIS H . 25710 1 349 . 1 1 86 86 HIS C C 13 174.529 . . . . . . A 162 HIS C . 25710 1 350 . 1 1 86 86 HIS CA C 13 58.749 . . . . . . A 162 HIS CA . 25710 1 351 . 1 1 86 86 HIS N N 15 118.6 . . . . . . A 162 HIS N . 25710 1 352 . 1 1 87 87 LEU H H 1 8.159 . . . . . . A 163 LEU H . 25710 1 353 . 1 1 87 87 LEU C C 13 175.443 . . . . . . A 163 LEU C . 25710 1 354 . 1 1 87 87 LEU CA C 13 55.213 . . . . . . A 163 LEU CA . 25710 1 355 . 1 1 87 87 LEU N N 15 114.677 . . . . . . A 163 LEU N . 25710 1 356 . 1 1 88 88 ALA H H 1 8.002 . . . . . . A 164 ALA H . 25710 1 357 . 1 1 88 88 ALA CA C 13 56.1 . . . . . . A 164 ALA CA . 25710 1 358 . 1 1 88 88 ALA N N 15 123.049 . . . . . . A 164 ALA N . 25710 1 359 . 1 1 89 89 PRO C C 13 175.636 . . . . . . A 165 PRO C . 25710 1 360 . 1 1 89 89 PRO CA C 13 65.402 . . . . . . A 165 PRO CA . 25710 1 361 . 1 1 90 90 TYR H H 1 7.508 . . . . . . A 166 TYR H . 25710 1 362 . 1 1 90 90 TYR C C 13 174.383 . . . . . . A 166 TYR C . 25710 1 363 . 1 1 90 90 TYR CA C 13 58.287 . . . . . . A 166 TYR CA . 25710 1 364 . 1 1 90 90 TYR N N 15 115.589 . . . . . . A 166 TYR N . 25710 1 365 . 1 1 91 91 SER H H 1 8.159 . . . . . . A 167 SER H . 25710 1 366 . 1 1 91 91 SER C C 13 173.527 . . . . . . A 167 SER C . 25710 1 367 . 1 1 91 91 SER CA C 13 62.231 . . . . . . A 167 SER CA . 25710 1 368 . 1 1 91 91 SER N N 15 116.138 . . . . . . A 167 SER N . 25710 1 369 . 1 1 92 92 ASP H H 1 8.242 . . . . . . A 168 ASP H . 25710 1 370 . 1 1 92 92 ASP C C 13 176.636 . . . . . . A 168 ASP C . 25710 1 371 . 1 1 92 92 ASP CA C 13 57.287 . . . . . . A 168 ASP CA . 25710 1 372 . 1 1 92 92 ASP N N 15 121.548 . . . . . . A 168 ASP N . 25710 1 373 . 1 1 93 93 GLU H H 1 8.024 . . . . . . A 169 GLU H . 25710 1 374 . 1 1 93 93 GLU C C 13 176.311 . . . . . . A 169 GLU C . 25710 1 375 . 1 1 93 93 GLU CA C 13 59.434 . . . . . . A 169 GLU CA . 25710 1 376 . 1 1 93 93 GLU N N 15 121.001 . . . . . . A 169 GLU N . 25710 1 377 . 1 1 94 94 LEU H H 1 7.949 . . . . . . A 170 LEU H . 25710 1 378 . 1 1 94 94 LEU C C 13 175.329 . . . . . . A 170 LEU C . 25710 1 379 . 1 1 94 94 LEU CA C 13 57.447 . . . . . . A 170 LEU CA . 25710 1 380 . 1 1 94 94 LEU CB C 13 40.07 . . . . . . A 170 LEU CB . 25710 1 381 . 1 1 94 94 LEU N N 15 122.621 . . . . . . A 170 LEU N . 25710 1 382 . 1 1 95 95 ARG H H 1 8.362 . . . . . . A 171 ARG H . 25710 1 383 . 1 1 95 95 ARG C C 13 175.363 . . . . . . A 171 ARG C . 25710 1 384 . 1 1 95 95 ARG CA C 13 60.234 . . . . . . A 171 ARG CA . 25710 1 385 . 1 1 95 95 ARG N N 15 118.877 . . . . . . A 171 ARG N . 25710 1 386 . 1 1 96 96 GLN H H 1 8.122 . . . . . . A 172 GLN H . 25710 1 387 . 1 1 96 96 GLN C C 13 176.68 . . . . . . A 172 GLN C . 25710 1 388 . 1 1 96 96 GLN CA C 13 58.842 . . . . . . A 172 GLN CA . 25710 1 389 . 1 1 96 96 GLN CB C 13 27.8 . . . . . . A 172 GLN CB . 25710 1 390 . 1 1 96 96 GLN N N 15 118.234 . . . . . . A 172 GLN N . 25710 1 391 . 1 1 97 97 ARG H H 1 8.331 . . . . . . A 173 ARG H . 25710 1 392 . 1 1 97 97 ARG C C 13 176.605 . . . . . . A 173 ARG C . 25710 1 393 . 1 1 97 97 ARG CA C 13 58.868 . . . . . . A 173 ARG CA . 25710 1 394 . 1 1 97 97 ARG N N 15 120.838 . . . . . . A 173 ARG N . 25710 1 395 . 1 1 98 98 LEU H H 1 8.471 . . . . . . A 174 LEU H . 25710 1 396 . 1 1 98 98 LEU C C 13 176.035 . . . . . . A 174 LEU C . 25710 1 397 . 1 1 98 98 LEU CA C 13 57.46 . . . . . . A 174 LEU CA . 25710 1 398 . 1 1 98 98 LEU N N 15 119.18 . . . . . . A 174 LEU N . 25710 1 399 . 1 1 99 99 ALA H H 1 8.388 . . . . . . A 175 ALA H . 25710 1 400 . 1 1 99 99 ALA C C 13 177.688 . . . . . . A 175 ALA C . 25710 1 401 . 1 1 99 99 ALA CA C 13 55.244 . . . . . . A 175 ALA CA . 25710 1 402 . 1 1 99 99 ALA CB C 13 17.05 . . . . . . A 175 ALA CB . 25710 1 403 . 1 1 99 99 ALA N N 15 120.971 . . . . . . A 175 ALA N . 25710 1 404 . 1 1 100 100 ALA H H 1 7.952 . . . . . . A 176 ALA H . 25710 1 405 . 1 1 100 100 ALA C C 13 178.98 . . . . . . A 176 ALA C . 25710 1 406 . 1 1 100 100 ALA CA C 13 54.748 . . . . . . A 176 ALA CA . 25710 1 407 . 1 1 100 100 ALA CB C 13 17.17 . . . . . . A 176 ALA CB . 25710 1 408 . 1 1 100 100 ALA N N 15 120.048 . . . . . . A 176 ALA N . 25710 1 409 . 1 1 101 101 ARG H H 1 8.115 . . . . . . A 177 ARG H . 25710 1 410 . 1 1 101 101 ARG C C 13 176.315 . . . . . . A 177 ARG C . 25710 1 411 . 1 1 101 101 ARG CA C 13 57.691 . . . . . . A 177 ARG CA . 25710 1 412 . 1 1 101 101 ARG N N 15 119.046 . . . . . . A 177 ARG N . 25710 1 413 . 1 1 102 102 LEU H H 1 8.436 . . . . . . A 178 LEU H . 25710 1 414 . 1 1 102 102 LEU C C 13 176.209 . . . . . . A 178 LEU C . 25710 1 415 . 1 1 102 102 LEU CA C 13 57.404 . . . . . . A 178 LEU CA . 25710 1 416 . 1 1 102 102 LEU N N 15 119.687 . . . . . . A 178 LEU N . 25710 1 417 . 1 1 103 103 GLU H H 1 8.232 . . . . . . A 179 GLU H . 25710 1 418 . 1 1 103 103 GLU C C 13 176.293 . . . . . . A 179 GLU C . 25710 1 419 . 1 1 103 103 GLU CA C 13 59.392 . . . . . . A 179 GLU CA . 25710 1 420 . 1 1 103 103 GLU N N 15 119.599 . . . . . . A 179 GLU N . 25710 1 421 . 1 1 104 104 ALA H H 1 7.713 . . . . . . A 180 ALA H . 25710 1 422 . 1 1 104 104 ALA C C 13 177.841 . . . . . . A 180 ALA C . 25710 1 423 . 1 1 104 104 ALA CA C 13 54.669 . . . . . . A 180 ALA CA . 25710 1 424 . 1 1 104 104 ALA N N 15 121.523 . . . . . . A 180 ALA N . 25710 1 425 . 1 1 105 105 LEU H H 1 8.121 . . . . . . A 181 LEU H . 25710 1 426 . 1 1 105 105 LEU C C 13 176.463 . . . . . . A 181 LEU C . 25710 1 427 . 1 1 105 105 LEU CA C 13 57.97 . . . . . . A 181 LEU CA . 25710 1 428 . 1 1 105 105 LEU N N 15 120.081 . . . . . . A 181 LEU N . 25710 1 429 . 1 1 106 106 LYS H H 1 7.937 . . . . . . A 182 LYS H . 25710 1 430 . 1 1 106 106 LYS C C 13 176.429 . . . . . . A 182 LYS C . 25710 1 431 . 1 1 106 106 LYS CA C 13 58 . . . . . . A 182 LYS CA . 25710 1 432 . 1 1 106 106 LYS CB C 13 31.1 . . . . . . A 182 LYS CB . 25710 1 433 . 1 1 106 106 LYS N N 15 120.114 . . . . . . A 182 LYS N . 25710 1 434 . 1 1 107 107 GLU H H 1 8.833 . . . . . . A 183 GLU H . 25710 1 435 . 1 1 107 107 GLU C C 13 175.938 . . . . . . A 183 GLU C . 25710 1 436 . 1 1 107 107 GLU CA C 13 59.647 . . . . . . A 183 GLU CA . 25710 1 437 . 1 1 107 107 GLU N N 15 120.704 . . . . . . A 183 GLU N . 25710 1 438 . 1 1 108 108 ASN H H 1 8.471 . . . . . . A 184 ASN H . 25710 1 439 . 1 1 108 108 ASN C C 13 174.95 . . . . . . A 184 ASN C . 25710 1 440 . 1 1 108 108 ASN CA C 13 55.06 . . . . . . A 184 ASN CA . 25710 1 441 . 1 1 108 108 ASN N N 15 117.725 . . . . . . A 184 ASN N . 25710 1 442 . 1 1 109 109 GLY H H 1 8.764 . . . . . . A 185 GLY H . 25710 1 443 . 1 1 109 109 GLY C C 13 172.975 . . . . . . A 185 GLY C . 25710 1 444 . 1 1 109 109 GLY CA C 13 46.758 . . . . . . A 185 GLY CA . 25710 1 445 . 1 1 109 109 GLY N N 15 108.891 . . . . . . A 185 GLY N . 25710 1 446 . 1 1 110 110 GLY H H 1 8.312 . . . . . . A 186 GLY H . 25710 1 447 . 1 1 110 110 GLY C C 13 173.315 . . . . . . A 186 GLY C . 25710 1 448 . 1 1 110 110 GLY CA C 13 47.212 . . . . . . A 186 GLY CA . 25710 1 449 . 1 1 110 110 GLY N N 15 109.031 . . . . . . A 186 GLY N . 25710 1 450 . 1 1 111 111 ALA H H 1 7.761 . . . . . . A 187 ALA H . 25710 1 451 . 1 1 111 111 ALA C C 13 178.014 . . . . . . A 187 ALA C . 25710 1 452 . 1 1 111 111 ALA CA C 13 54.743 . . . . . . A 187 ALA CA . 25710 1 453 . 1 1 111 111 ALA N N 15 124.025 . . . . . . A 187 ALA N . 25710 1 454 . 1 1 112 112 ARG H H 1 7.854 . . . . . . A 188 ARG H . 25710 1 455 . 1 1 112 112 ARG CA C 13 57.614 . . . . . . A 188 ARG CA . 25710 1 456 . 1 1 112 112 ARG CB C 13 28.77 . . . . . . A 188 ARG CB . 25710 1 457 . 1 1 112 112 ARG N N 15 117.951 . . . . . . A 188 ARG N . 25710 1 458 . 1 1 113 113 LEU C C 13 176.064 . . . . . . A 189 LEU C . 25710 1 459 . 1 1 113 113 LEU CA C 13 58.318 . . . . . . A 189 LEU CA . 25710 1 460 . 1 1 114 114 ALA H H 1 8.139 . . . . . . A 190 ALA H . 25710 1 461 . 1 1 114 114 ALA C C 13 178.289 . . . . . . A 190 ALA C . 25710 1 462 . 1 1 114 114 ALA CA C 13 54.965 . . . . . . A 190 ALA CA . 25710 1 463 . 1 1 114 114 ALA CB C 13 17.29 . . . . . . A 190 ALA CB . 25710 1 464 . 1 1 114 114 ALA N N 15 120.684 . . . . . . A 190 ALA N . 25710 1 465 . 1 1 115 115 GLU H H 1 7.846 . . . . . . A 191 GLU H . 25710 1 466 . 1 1 115 115 GLU C C 13 176.921 . . . . . . A 191 GLU C . 25710 1 467 . 1 1 115 115 GLU CA C 13 59.062 . . . . . . A 191 GLU CA . 25710 1 468 . 1 1 115 115 GLU N N 15 120.37 . . . . . . A 191 GLU N . 25710 1 469 . 1 1 116 116 TYR H H 1 8.285 . . . . . . A 192 TYR H . 25710 1 470 . 1 1 116 116 TYR C C 13 175.646 . . . . . . A 192 TYR C . 25710 1 471 . 1 1 116 116 TYR CA C 13 60.662 . . . . . . A 192 TYR CA . 25710 1 472 . 1 1 116 116 TYR CB C 13 40.4 . . . . . . A 192 TYR CB . 25710 1 473 . 1 1 116 116 TYR N N 15 119.03 . . . . . . A 192 TYR N . 25710 1 474 . 1 1 117 117 HIS H H 1 8.887 . . . . . . A 193 HIS H . 25710 1 475 . 1 1 117 117 HIS C C 13 175.387 . . . . . . A 193 HIS C . 25710 1 476 . 1 1 117 117 HIS CA C 13 60.111 . . . . . . A 193 HIS CA . 25710 1 477 . 1 1 117 117 HIS CB C 13 30.8 . . . . . . A 193 HIS CB . 25710 1 478 . 1 1 117 117 HIS N N 15 120.206 . . . . . . A 193 HIS N . 25710 1 479 . 1 1 118 118 ALA H H 1 8.257 . . . . . . A 194 ALA H . 25710 1 480 . 1 1 118 118 ALA C C 13 178.214 . . . . . . A 194 ALA C . 25710 1 481 . 1 1 118 118 ALA CA C 13 55.171 . . . . . . A 194 ALA CA . 25710 1 482 . 1 1 118 118 ALA CB C 13 17.1 . . . . . . A 194 ALA CB . 25710 1 483 . 1 1 118 118 ALA N N 15 123.376 . . . . . . A 194 ALA N . 25710 1 484 . 1 1 119 119 LYS H H 1 8.123 . . . . . . A 195 LYS H . 25710 1 485 . 1 1 119 119 LYS C C 13 176.276 . . . . . . A 195 LYS C . 25710 1 486 . 1 1 119 119 LYS CA C 13 58.864 . . . . . . A 195 LYS CA . 25710 1 487 . 1 1 119 119 LYS CB C 13 31.26 . . . . . . A 195 LYS CB . 25710 1 488 . 1 1 119 119 LYS N N 15 118.64 . . . . . . A 195 LYS N . 25710 1 489 . 1 1 120 120 ALA H H 1 8.726 . . . . . . A 196 ALA H . 25710 1 490 . 1 1 120 120 ALA C C 13 177.067 . . . . . . A 196 ALA C . 25710 1 491 . 1 1 120 120 ALA CA C 13 55.23 . . . . . . A 196 ALA CA . 25710 1 492 . 1 1 120 120 ALA N N 15 121.129 . . . . . . A 196 ALA N . 25710 1 493 . 1 1 121 121 THR H H 1 8.321 . . . . . . A 197 THR H . 25710 1 494 . 1 1 121 121 THR C C 13 174.442 . . . . . . A 197 THR C . 25710 1 495 . 1 1 121 121 THR CA C 13 66.646 . . . . . . A 197 THR CA . 25710 1 496 . 1 1 121 121 THR CB C 13 67.79 . . . . . . A 197 THR CB . 25710 1 497 . 1 1 121 121 THR N N 15 111.945 . . . . . . A 197 THR N . 25710 1 498 . 1 1 122 122 GLU H H 1 7.917 . . . . . . A 198 GLU H . 25710 1 499 . 1 1 122 122 GLU C C 13 176.77 . . . . . . A 198 GLU C . 25710 1 500 . 1 1 122 122 GLU CA C 13 59.489 . . . . . . A 198 GLU CA . 25710 1 501 . 1 1 122 122 GLU CB C 13 28.28 . . . . . . A 198 GLU CB . 25710 1 502 . 1 1 122 122 GLU N N 15 124.172 . . . . . . A 198 GLU N . 25710 1 503 . 1 1 123 123 HIS H H 1 8.156 . . . . . . A 199 HIS H . 25710 1 504 . 1 1 123 123 HIS C C 13 175.835 . . . . . . A 199 HIS C . 25710 1 505 . 1 1 123 123 HIS CA C 13 59.828 . . . . . . A 199 HIS CA . 25710 1 506 . 1 1 123 123 HIS N N 15 118.678 . . . . . . A 199 HIS N . 25710 1 507 . 1 1 124 124 LEU H H 1 8.625 . . . . . . A 200 LEU H . 25710 1 508 . 1 1 124 124 LEU C C 13 176.619 . . . . . . A 200 LEU C . 25710 1 509 . 1 1 124 124 LEU CA C 13 57.792 . . . . . . A 200 LEU CA . 25710 1 510 . 1 1 124 124 LEU N N 15 119.224 . . . . . . A 200 LEU N . 25710 1 511 . 1 1 125 125 SER H H 1 8.41 . . . . . . A 201 SER H . 25710 1 512 . 1 1 125 125 SER CA C 13 62.006 . . . . . . A 201 SER CA . 25710 1 513 . 1 1 125 125 SER N N 15 116.211 . . . . . . A 201 SER N . 25710 1 514 . 1 1 126 126 THR C C 13 174.046 . . . . . . A 202 THR C . 25710 1 515 . 1 1 126 126 THR CA C 13 66.177 . . . . . . A 202 THR CA . 25710 1 516 . 1 1 127 127 LEU H H 1 8.207 . . . . . . A 203 LEU H . 25710 1 517 . 1 1 127 127 LEU C C 13 175.983 . . . . . . A 203 LEU C . 25710 1 518 . 1 1 127 127 LEU CA C 13 57.895 . . . . . . A 203 LEU CA . 25710 1 519 . 1 1 127 127 LEU CB C 13 40.37 . . . . . . A 203 LEU CB . 25710 1 520 . 1 1 127 127 LEU N N 15 122.389 . . . . . . A 203 LEU N . 25710 1 521 . 1 1 128 128 SER H H 1 8.361 . . . . . . A 204 SER H . 25710 1 522 . 1 1 128 128 SER C C 13 173.687 . . . . . . A 204 SER C . 25710 1 523 . 1 1 128 128 SER CA C 13 62.279 . . . . . . A 204 SER CA . 25710 1 524 . 1 1 128 128 SER N N 15 113.997 . . . . . . A 204 SER N . 25710 1 525 . 1 1 129 129 GLU H H 1 7.787 . . . . . . A 205 GLU H . 25710 1 526 . 1 1 129 129 GLU C C 13 176.956 . . . . . . A 205 GLU C . 25710 1 527 . 1 1 129 129 GLU CA C 13 59.037 . . . . . . A 205 GLU CA . 25710 1 528 . 1 1 129 129 GLU CB C 13 28.41 . . . . . . A 205 GLU CB . 25710 1 529 . 1 1 129 129 GLU N N 15 119.955 . . . . . . A 205 GLU N . 25710 1 530 . 1 1 130 130 LYS H H 1 7.901 . . . . . . A 206 LYS H . 25710 1 531 . 1 1 130 130 LYS C C 13 175.611 . . . . . . A 206 LYS C . 25710 1 532 . 1 1 130 130 LYS CA C 13 57.016 . . . . . . A 206 LYS CA . 25710 1 533 . 1 1 130 130 LYS N N 15 116.791 . . . . . . A 206 LYS N . 25710 1 534 . 1 1 131 131 ALA H H 1 8.284 . . . . . . A 207 ALA H . 25710 1 535 . 1 1 131 131 ALA C C 13 174.989 . . . . . . A 207 ALA C . 25710 1 536 . 1 1 131 131 ALA CA C 13 53.017 . . . . . . A 207 ALA CA . 25710 1 537 . 1 1 131 131 ALA N N 15 119.31 . . . . . . A 207 ALA N . 25710 1 538 . 1 1 132 132 LYS H H 1 7.761 . . . . . . A 208 LYS H . 25710 1 539 . 1 1 132 132 LYS CA C 13 60.08 . . . . . . A 208 LYS CA . 25710 1 540 . 1 1 132 132 LYS CB C 13 29 . . . . . . A 208 LYS CB . 25710 1 541 . 1 1 132 132 LYS N N 15 117.989 . . . . . . A 208 LYS N . 25710 1 542 . 1 1 133 133 PRO C C 13 176.467 . . . . . . A 209 PRO C . 25710 1 543 . 1 1 133 133 PRO CA C 13 65.876 . . . . . . A 209 PRO CA . 25710 1 544 . 1 1 134 134 ALA H H 1 7.475 . . . . . . A 210 ALA H . 25710 1 545 . 1 1 134 134 ALA C C 13 178.557 . . . . . . A 210 ALA C . 25710 1 546 . 1 1 134 134 ALA CA C 13 54.474 . . . . . . A 210 ALA CA . 25710 1 547 . 1 1 134 134 ALA N N 15 119.47 . . . . . . A 210 ALA N . 25710 1 548 . 1 1 135 135 LEU H H 1 8.362 . . . . . . A 211 LEU H . 25710 1 549 . 1 1 135 135 LEU C C 13 172.775 . . . . . . A 211 LEU C . 25710 1 550 . 1 1 135 135 LEU CA C 13 57.454 . . . . . . A 211 LEU CA . 25710 1 551 . 1 1 135 135 LEU CB C 13 40.8 . . . . . . A 211 LEU CB . 25710 1 552 . 1 1 135 135 LEU N N 15 119.764 . . . . . . A 211 LEU N . 25710 1 553 . 1 1 136 136 GLU H H 1 8.347 . . . . . . A 212 GLU H . 25710 1 554 . 1 1 136 136 GLU C C 13 176.602 . . . . . . A 212 GLU C . 25710 1 555 . 1 1 136 136 GLU CA C 13 56.645 . . . . . . A 212 GLU CA . 25710 1 556 . 1 1 136 136 GLU N N 15 121.793 . . . . . . A 212 GLU N . 25710 1 557 . 1 1 137 137 ASP H H 1 8.253 . . . . . . A 213 ASP H . 25710 1 558 . 1 1 137 137 ASP C C 13 176.077 . . . . . . A 213 ASP C . 25710 1 559 . 1 1 137 137 ASP CA C 13 57.207 . . . . . . A 213 ASP CA . 25710 1 560 . 1 1 137 137 ASP CB C 13 39.5 . . . . . . A 213 ASP CB . 25710 1 561 . 1 1 137 137 ASP N N 15 120.857 . . . . . . A 213 ASP N . 25710 1 562 . 1 1 138 138 LEU H H 1 8.12 . . . . . . A 214 LEU H . 25710 1 563 . 1 1 138 138 LEU C C 13 176.026 . . . . . . A 214 LEU C . 25710 1 564 . 1 1 138 138 LEU CA C 13 57.599 . . . . . . A 214 LEU CA . 25710 1 565 . 1 1 138 138 LEU CB C 13 40.37 . . . . . . A 214 LEU CB . 25710 1 566 . 1 1 138 138 LEU N N 15 118.804 . . . . . . A 214 LEU N . 25710 1 567 . 1 1 139 139 ARG H H 1 8.268 . . . . . . A 215 ARG H . 25710 1 568 . 1 1 139 139 ARG C C 13 176.03 . . . . . . A 215 ARG C . 25710 1 569 . 1 1 139 139 ARG CA C 13 57.792 . . . . . . A 215 ARG CA . 25710 1 570 . 1 1 139 139 ARG CB C 13 28.77 . . . . . . A 215 ARG CB . 25710 1 571 . 1 1 139 139 ARG N N 15 119.282 . . . . . . A 215 ARG N . 25710 1 572 . 1 1 140 140 GLN H H 1 8.306 . . . . . . A 216 GLN H . 25710 1 573 . 1 1 140 140 GLN C C 13 176.259 . . . . . . A 216 GLN C . 25710 1 574 . 1 1 140 140 GLN CA C 13 58.03 . . . . . . A 216 GLN CA . 25710 1 575 . 1 1 140 140 GLN CB C 13 28.3 . . . . . . A 216 GLN CB . 25710 1 576 . 1 1 140 140 GLN N N 15 114.918 . . . . . . A 216 GLN N . 25710 1 577 . 1 1 141 141 GLY H H 1 8.265 . . . . . . A 217 GLY H . 25710 1 578 . 1 1 141 141 GLY C C 13 173.045 . . . . . . A 217 GLY C . 25710 1 579 . 1 1 141 141 GLY CA C 13 45.706 . . . . . . A 217 GLY CA . 25710 1 580 . 1 1 141 141 GLY N N 15 105.915 . . . . . . A 217 GLY N . 25710 1 581 . 1 1 142 142 LEU H H 1 8.43 . . . . . . A 218 LEU H . 25710 1 582 . 1 1 142 142 LEU C C 13 176.112 . . . . . . A 218 LEU C . 25710 1 583 . 1 1 142 142 LEU CA C 13 56.844 . . . . . . A 218 LEU CA . 25710 1 584 . 1 1 142 142 LEU N N 15 119.627 . . . . . . A 218 LEU N . 25710 1 585 . 1 1 143 143 LEU H H 1 7.677 . . . . . . A 219 LEU H . 25710 1 586 . 1 1 143 143 LEU CA C 13 56.823 . . . . . . A 219 LEU CA . 25710 1 587 . 1 1 143 143 LEU N N 15 118.76 . . . . . . A 219 LEU N . 25710 1 588 . 1 1 144 144 PRO C C 13 177.295 . . . . . . A 220 PRO C . 25710 1 589 . 1 1 144 144 PRO CA C 13 65.203 . . . . . . A 220 PRO CA . 25710 1 590 . 1 1 145 145 VAL H H 1 6.784 . . . . . . A 221 VAL H . 25710 1 591 . 1 1 145 145 VAL C C 13 176.408 . . . . . . A 221 VAL C . 25710 1 592 . 1 1 145 145 VAL CA C 13 65.221 . . . . . . A 221 VAL CA . 25710 1 593 . 1 1 145 145 VAL CB C 13 31.2 . . . . . . A 221 VAL CB . 25710 1 594 . 1 1 145 145 VAL N N 15 118.367 . . . . . . A 221 VAL N . 25710 1 595 . 1 1 146 146 LEU H H 1 8.272 . . . . . . A 222 LEU H . 25710 1 596 . 1 1 146 146 LEU C C 13 176.282 . . . . . . A 222 LEU C . 25710 1 597 . 1 1 146 146 LEU CA C 13 57.254 . . . . . . A 222 LEU CA . 25710 1 598 . 1 1 146 146 LEU CB C 13 39.52 . . . . . . A 222 LEU CB . 25710 1 599 . 1 1 146 146 LEU N N 15 120.812 . . . . . . A 222 LEU N . 25710 1 600 . 1 1 147 147 GLU H H 1 8.589 . . . . . . A 223 GLU H . 25710 1 601 . 1 1 147 147 GLU C C 13 176.142 . . . . . . A 223 GLU C . 25710 1 602 . 1 1 147 147 GLU CA C 13 59.425 . . . . . . A 223 GLU CA . 25710 1 603 . 1 1 147 147 GLU N N 15 120.064 . . . . . . A 223 GLU N . 25710 1 604 . 1 1 148 148 SER H H 1 8.013 . . . . . . A 224 SER H . 25710 1 605 . 1 1 148 148 SER C C 13 174.659 . . . . . . A 224 SER C . 25710 1 606 . 1 1 148 148 SER CA C 13 61.581 . . . . . . A 224 SER CA . 25710 1 607 . 1 1 148 148 SER N N 15 114.061 . . . . . . A 224 SER N . 25710 1 608 . 1 1 149 149 PHE H H 1 8.04 . . . . . . A 225 PHE H . 25710 1 609 . 1 1 149 149 PHE C C 13 173.725 . . . . . . A 225 PHE C . 25710 1 610 . 1 1 149 149 PHE CA C 13 61.163 . . . . . . A 225 PHE CA . 25710 1 611 . 1 1 149 149 PHE N N 15 122.202 . . . . . . A 225 PHE N . 25710 1 612 . 1 1 150 150 LYS H H 1 8.542 . . . . . . A 226 LYS H . 25710 1 613 . 1 1 150 150 LYS C C 13 175.278 . . . . . . A 226 LYS C . 25710 1 614 . 1 1 150 150 LYS CA C 13 60.507 . . . . . . A 226 LYS CA . 25710 1 615 . 1 1 150 150 LYS CB C 13 30.87 . . . . . . A 226 LYS CB . 25710 1 616 . 1 1 150 150 LYS N N 15 120.432 . . . . . . A 226 LYS N . 25710 1 617 . 1 1 151 151 VAL H H 1 8.021 . . . . . . A 227 VAL H . 25710 1 618 . 1 1 151 151 VAL C C 13 176.992 . . . . . . A 227 VAL C . 25710 1 619 . 1 1 151 151 VAL CA C 13 66.245 . . . . . . A 227 VAL CA . 25710 1 620 . 1 1 151 151 VAL CB C 13 30.99 . . . . . . A 227 VAL CB . 25710 1 621 . 1 1 151 151 VAL N N 15 116.575 . . . . . . A 227 VAL N . 25710 1 622 . 1 1 152 152 SER H H 1 8.296 . . . . . . A 228 SER H . 25710 1 623 . 1 1 152 152 SER C C 13 176.282 . . . . . . A 228 SER C . 25710 1 624 . 1 1 152 152 SER CA C 13 61.881 . . . . . . A 228 SER CA . 25710 1 625 . 1 1 152 152 SER CB C 13 62.75 . . . . . . A 228 SER CB . 25710 1 626 . 1 1 152 152 SER N N 15 117.849 . . . . . . A 228 SER N . 25710 1 627 . 1 1 153 153 PHE H H 1 8.044 . . . . . . A 229 PHE H . 25710 1 628 . 1 1 153 153 PHE C C 13 174.336 . . . . . . A 229 PHE C . 25710 1 629 . 1 1 153 153 PHE CA C 13 61.111 . . . . . . A 229 PHE CA . 25710 1 630 . 1 1 153 153 PHE N N 15 120.191 . . . . . . A 229 PHE N . 25710 1 631 . 1 1 154 154 LEU H H 1 8.446 . . . . . . A 230 LEU H . 25710 1 632 . 1 1 154 154 LEU C C 13 177.484 . . . . . . A 230 LEU C . 25710 1 633 . 1 1 154 154 LEU CA C 13 57.937 . . . . . . A 230 LEU CA . 25710 1 634 . 1 1 154 154 LEU N N 15 118.084 . . . . . . A 230 LEU N . 25710 1 635 . 1 1 155 155 SER H H 1 8.051 . . . . . . A 231 SER H . 25710 1 636 . 1 1 155 155 SER C C 13 174.199 . . . . . . A 231 SER C . 25710 1 637 . 1 1 155 155 SER CA C 13 61.677 . . . . . . A 231 SER CA . 25710 1 638 . 1 1 155 155 SER N N 15 114.829 . . . . . . A 231 SER N . 25710 1 639 . 1 1 156 156 ALA H H 1 7.716 . . . . . . A 232 ALA H . 25710 1 640 . 1 1 156 156 ALA C C 13 177.322 . . . . . . A 232 ALA C . 25710 1 641 . 1 1 156 156 ALA CA C 13 54.577 . . . . . . A 232 ALA CA . 25710 1 642 . 1 1 156 156 ALA CB C 13 16.6 . . . . . . A 232 ALA CB . 25710 1 643 . 1 1 156 156 ALA N N 15 124.7 . . . . . . A 232 ALA N . 25710 1 644 . 1 1 157 157 LEU H H 1 8.002 . . . . . . A 233 LEU H . 25710 1 645 . 1 1 157 157 LEU CA C 13 57.017 . . . . . . A 233 LEU CA . 25710 1 646 . 1 1 157 157 LEU N N 15 118.138 . . . . . . A 233 LEU N . 25710 1 647 . 1 1 158 158 GLU C C 13 176.126 . . . . . . A 234 GLU C . 25710 1 648 . 1 1 159 159 GLU H H 1 8.065 . . . . . . A 235 GLU H . 25710 1 649 . 1 1 159 159 GLU C C 13 176.387 . . . . . . A 235 GLU C . 25710 1 650 . 1 1 159 159 GLU CA C 13 58.697 . . . . . . A 235 GLU CA . 25710 1 651 . 1 1 159 159 GLU N N 15 119.018 . . . . . . A 235 GLU N . 25710 1 652 . 1 1 160 160 TYR H H 1 8.142 . . . . . . A 236 TYR H . 25710 1 653 . 1 1 160 160 TYR C C 13 174.764 . . . . . . A 236 TYR C . 25710 1 654 . 1 1 160 160 TYR CA C 13 60.854 . . . . . . A 236 TYR CA . 25710 1 655 . 1 1 160 160 TYR N N 15 119.368 . . . . . . A 236 TYR N . 25710 1 656 . 1 1 161 161 THR H H 1 8.274 . . . . . . A 237 THR H . 25710 1 657 . 1 1 161 161 THR C C 13 174.268 . . . . . . A 237 THR C . 25710 1 658 . 1 1 161 161 THR CA C 13 65.207 . . . . . . A 237 THR CA . 25710 1 659 . 1 1 161 161 THR CB C 13 68.05 . . . . . . A 237 THR CB . 25710 1 660 . 1 1 161 161 THR N N 15 110.859 . . . . . . A 237 THR N . 25710 1 661 . 1 1 162 162 LYS H H 1 7.875 . . . . . . A 238 LYS H . 25710 1 662 . 1 1 162 162 LYS C C 13 175.95 . . . . . . A 238 LYS C . 25710 1 663 . 1 1 162 162 LYS CA C 13 58.648 . . . . . . A 238 LYS CA . 25710 1 664 . 1 1 162 162 LYS CB C 13 31.35 . . . . . . A 238 LYS CB . 25710 1 665 . 1 1 162 162 LYS N N 15 121.987 . . . . . . A 238 LYS N . 25710 1 666 . 1 1 163 163 LYS H H 1 7.606 . . . . . . A 239 LYS H . 25710 1 667 . 1 1 163 163 LYS C C 13 175.127 . . . . . . A 239 LYS C . 25710 1 668 . 1 1 163 163 LYS CA C 13 57.017 . . . . . . A 239 LYS CA . 25710 1 669 . 1 1 163 163 LYS CB C 13 31.05 . . . . . . A 239 LYS CB . 25710 1 670 . 1 1 163 163 LYS N N 15 118.868 . . . . . . A 239 LYS N . 25710 1 671 . 1 1 164 164 LEU H H 1 7.567 . . . . . . A 240 LEU H . 25710 1 672 . 1 1 164 164 LEU C C 13 174.642 . . . . . . A 240 LEU C . 25710 1 673 . 1 1 164 164 LEU CA C 13 55.697 . . . . . . A 240 LEU CA . 25710 1 674 . 1 1 164 164 LEU CB C 13 40.95 . . . . . . A 240 LEU CB . 25710 1 675 . 1 1 164 164 LEU N N 15 119.332 . . . . . . A 240 LEU N . 25710 1 676 . 1 1 165 165 ASN H H 1 7.86 . . . . . . A 241 ASN H . 25710 1 677 . 1 1 165 165 ASN C C 13 172.697 . . . . . . A 241 ASN C . 25710 1 678 . 1 1 165 165 ASN CA C 13 53.171 . . . . . . A 241 ASN CA . 25710 1 679 . 1 1 165 165 ASN CB C 13 38.63 . . . . . . A 241 ASN CB . 25710 1 680 . 1 1 165 165 ASN N N 15 116.948 . . . . . . A 241 ASN N . 25710 1 681 . 1 1 166 166 THR H H 1 7.898 . . . . . . A 242 THR H . 25710 1 682 . 1 1 166 166 THR C C 13 171.166 . . . . . . A 242 THR C . 25710 1 683 . 1 1 166 166 THR CA C 13 61.864 . . . . . . A 242 THR CA . 25710 1 684 . 1 1 166 166 THR CB C 13 69.11 . . . . . . A 242 THR CB . 25710 1 685 . 1 1 166 166 THR N N 15 114.246 . . . . . . A 242 THR N . 25710 1 686 . 1 1 167 167 GLN H H 1 7.941 . . . . . . A 243 GLN H . 25710 1 687 . 1 1 167 167 GLN CA C 13 57.267 . . . . . . A 243 GLN CA . 25710 1 688 . 1 1 167 167 GLN CB C 13 29.41 . . . . . . A 243 GLN CB . 25710 1 689 . 1 1 167 167 GLN N N 15 127.687 . . . . . . A 243 GLN N . 25710 1 stop_ save_