data_27726 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27726 _Entry.Title ; Arf1_L8K_GTPgS ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-12-12 _Entry.Accession_date 2018-12-12 _Entry.Last_release_date 2018-12-12 _Entry.Original_release_date 2018-12-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Yifei Li . . . . 27726 2 Jess Li . . . . 27726 3 Olivier Soubias . . . . 27726 4 Shangjin Sun . . . . 27726 5 Paul Randazzo . . . . 27726 6 'R. Andrew' Byrd . . . . 27726 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'National Cancer Institute' . 27726 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27726 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 308 27726 '15N chemical shifts' 130 27726 '1H chemical shifts' 355 27726 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 . . 2019-04-12 . original BMRB . 27726 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27726 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30735034 _Citation.Full_citation . _Citation.Title ; Functional Expression and Characterization of Human Myristoylated-Arf1 in Nanodisc Membrane Mimetics. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 58 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1520-4995 _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 1423 _Citation.Page_last 1431 _Citation.Year 2019 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yifei Li Y. . . . 27726 1 2 Olivier Soubias O. . . . 27726 1 3 Jess Li J. . . . 27726 1 4 Shangjin Sun S. . . . 27726 1 5 Paul Randazzo P. A. . . 27726 1 6 'R Andrew' Byrd R. A. . . 27726 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27726 _Assembly.ID 1 _Assembly.Name Arf1_L8K_GTPgS _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Arf1_L8K 1 $Arf1_L8K A . yes native no no . . . 27726 1 2 GTPgS 2 $entity_GSP A . no native no no . . . 27726 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Arf1_L8K _Entity.Sf_category entity _Entity.Sf_framecode Arf1_L8K _Entity.Entry_ID 27726 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Arf1_L8K _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 ; MGNIFANKFKGLFGKKEMRI LMVGLDAAGKTTILYKLKLG EIVTTIPTIGFNVETVEYKN ISFTVWDVGGQDKIRPLWRH YFQNTQGLIFVVDSNDRERV NEAREELMRMLAEDELRDAV LLVFANKQDLPNAMNAAEIT DKLGLHSLRHRNWYIQATCA TSGDGLYEGLDWLSNQLRNQ K ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID GSP _Entity.Nonpolymer_comp_label $chem_comp_GSP _Entity.Number_of_monomers 181 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation L8K _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20711.78 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID GTPase 27726 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 27726 1 2 2 GLY . 27726 1 3 3 ASN . 27726 1 4 4 ILE . 27726 1 5 5 PHE . 27726 1 6 6 ALA . 27726 1 7 7 ASN . 27726 1 8 8 LYS . 27726 1 9 9 PHE . 27726 1 10 10 LYS . 27726 1 11 11 GLY . 27726 1 12 12 LEU . 27726 1 13 13 PHE . 27726 1 14 14 GLY . 27726 1 15 15 LYS . 27726 1 16 16 LYS . 27726 1 17 17 GLU . 27726 1 18 18 MET . 27726 1 19 19 ARG . 27726 1 20 20 ILE . 27726 1 21 21 LEU . 27726 1 22 22 MET . 27726 1 23 23 VAL . 27726 1 24 24 GLY . 27726 1 25 25 LEU . 27726 1 26 26 ASP . 27726 1 27 27 ALA . 27726 1 28 28 ALA . 27726 1 29 29 GLY . 27726 1 30 30 LYS . 27726 1 31 31 THR . 27726 1 32 32 THR . 27726 1 33 33 ILE . 27726 1 34 34 LEU . 27726 1 35 35 TYR . 27726 1 36 36 LYS . 27726 1 37 37 LEU . 27726 1 38 38 LYS . 27726 1 39 39 LEU . 27726 1 40 40 GLY . 27726 1 41 41 GLU . 27726 1 42 42 ILE . 27726 1 43 43 VAL . 27726 1 44 44 THR . 27726 1 45 45 THR . 27726 1 46 46 ILE . 27726 1 47 47 PRO . 27726 1 48 48 THR . 27726 1 49 49 ILE . 27726 1 50 50 GLY . 27726 1 51 51 PHE . 27726 1 52 52 ASN . 27726 1 53 53 VAL . 27726 1 54 54 GLU . 27726 1 55 55 THR . 27726 1 56 56 VAL . 27726 1 57 57 GLU . 27726 1 58 58 TYR . 27726 1 59 59 LYS . 27726 1 60 60 ASN . 27726 1 61 61 ILE . 27726 1 62 62 SER . 27726 1 63 63 PHE . 27726 1 64 64 THR . 27726 1 65 65 VAL . 27726 1 66 66 TRP . 27726 1 67 67 ASP . 27726 1 68 68 VAL . 27726 1 69 69 GLY . 27726 1 70 70 GLY . 27726 1 71 71 GLN . 27726 1 72 72 ASP . 27726 1 73 73 LYS . 27726 1 74 74 ILE . 27726 1 75 75 ARG . 27726 1 76 76 PRO . 27726 1 77 77 LEU . 27726 1 78 78 TRP . 27726 1 79 79 ARG . 27726 1 80 80 HIS . 27726 1 81 81 TYR . 27726 1 82 82 PHE . 27726 1 83 83 GLN . 27726 1 84 84 ASN . 27726 1 85 85 THR . 27726 1 86 86 GLN . 27726 1 87 87 GLY . 27726 1 88 88 LEU . 27726 1 89 89 ILE . 27726 1 90 90 PHE . 27726 1 91 91 VAL . 27726 1 92 92 VAL . 27726 1 93 93 ASP . 27726 1 94 94 SER . 27726 1 95 95 ASN . 27726 1 96 96 ASP . 27726 1 97 97 ARG . 27726 1 98 98 GLU . 27726 1 99 99 ARG . 27726 1 100 100 VAL . 27726 1 101 101 ASN . 27726 1 102 102 GLU . 27726 1 103 103 ALA . 27726 1 104 104 ARG . 27726 1 105 105 GLU . 27726 1 106 106 GLU . 27726 1 107 107 LEU . 27726 1 108 108 MET . 27726 1 109 109 ARG . 27726 1 110 110 MET . 27726 1 111 111 LEU . 27726 1 112 112 ALA . 27726 1 113 113 GLU . 27726 1 114 114 ASP . 27726 1 115 115 GLU . 27726 1 116 116 LEU . 27726 1 117 117 ARG . 27726 1 118 118 ASP . 27726 1 119 119 ALA . 27726 1 120 120 VAL . 27726 1 121 121 LEU . 27726 1 122 122 LEU . 27726 1 123 123 VAL . 27726 1 124 124 PHE . 27726 1 125 125 ALA . 27726 1 126 126 ASN . 27726 1 127 127 LYS . 27726 1 128 128 GLN . 27726 1 129 129 ASP . 27726 1 130 130 LEU . 27726 1 131 131 PRO . 27726 1 132 132 ASN . 27726 1 133 133 ALA . 27726 1 134 134 MET . 27726 1 135 135 ASN . 27726 1 136 136 ALA . 27726 1 137 137 ALA . 27726 1 138 138 GLU . 27726 1 139 139 ILE . 27726 1 140 140 THR . 27726 1 141 141 ASP . 27726 1 142 142 LYS . 27726 1 143 143 LEU . 27726 1 144 144 GLY . 27726 1 145 145 LEU . 27726 1 146 146 HIS . 27726 1 147 147 SER . 27726 1 148 148 LEU . 27726 1 149 149 ARG . 27726 1 150 150 HIS . 27726 1 151 151 ARG . 27726 1 152 152 ASN . 27726 1 153 153 TRP . 27726 1 154 154 TYR . 27726 1 155 155 ILE . 27726 1 156 156 GLN . 27726 1 157 157 ALA . 27726 1 158 158 THR . 27726 1 159 159 CYS . 27726 1 160 160 ALA . 27726 1 161 161 THR . 27726 1 162 162 SER . 27726 1 163 163 GLY . 27726 1 164 164 ASP . 27726 1 165 165 GLY . 27726 1 166 166 LEU . 27726 1 167 167 TYR . 27726 1 168 168 GLU . 27726 1 169 169 GLY . 27726 1 170 170 LEU . 27726 1 171 171 ASP . 27726 1 172 172 TRP . 27726 1 173 173 LEU . 27726 1 174 174 SER . 27726 1 175 175 ASN . 27726 1 176 176 GLN . 27726 1 177 177 LEU . 27726 1 178 178 ARG . 27726 1 179 179 ASN . 27726 1 180 180 GLN . 27726 1 181 181 LYS . 27726 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 27726 1 . GLY 2 2 27726 1 . ASN 3 3 27726 1 . ILE 4 4 27726 1 . PHE 5 5 27726 1 . ALA 6 6 27726 1 . ASN 7 7 27726 1 . LYS 8 8 27726 1 . PHE 9 9 27726 1 . LYS 10 10 27726 1 . GLY 11 11 27726 1 . LEU 12 12 27726 1 . PHE 13 13 27726 1 . GLY 14 14 27726 1 . LYS 15 15 27726 1 . LYS 16 16 27726 1 . GLU 17 17 27726 1 . MET 18 18 27726 1 . ARG 19 19 27726 1 . ILE 20 20 27726 1 . LEU 21 21 27726 1 . MET 22 22 27726 1 . VAL 23 23 27726 1 . GLY 24 24 27726 1 . LEU 25 25 27726 1 . ASP 26 26 27726 1 . ALA 27 27 27726 1 . ALA 28 28 27726 1 . GLY 29 29 27726 1 . LYS 30 30 27726 1 . THR 31 31 27726 1 . THR 32 32 27726 1 . ILE 33 33 27726 1 . LEU 34 34 27726 1 . TYR 35 35 27726 1 . LYS 36 36 27726 1 . LEU 37 37 27726 1 . LYS 38 38 27726 1 . LEU 39 39 27726 1 . GLY 40 40 27726 1 . GLU 41 41 27726 1 . ILE 42 42 27726 1 . VAL 43 43 27726 1 . THR 44 44 27726 1 . THR 45 45 27726 1 . ILE 46 46 27726 1 . PRO 47 47 27726 1 . THR 48 48 27726 1 . ILE 49 49 27726 1 . GLY 50 50 27726 1 . PHE 51 51 27726 1 . ASN 52 52 27726 1 . VAL 53 53 27726 1 . GLU 54 54 27726 1 . THR 55 55 27726 1 . VAL 56 56 27726 1 . GLU 57 57 27726 1 . TYR 58 58 27726 1 . LYS 59 59 27726 1 . ASN 60 60 27726 1 . ILE 61 61 27726 1 . SER 62 62 27726 1 . PHE 63 63 27726 1 . THR 64 64 27726 1 . VAL 65 65 27726 1 . TRP 66 66 27726 1 . ASP 67 67 27726 1 . VAL 68 68 27726 1 . GLY 69 69 27726 1 . GLY 70 70 27726 1 . GLN 71 71 27726 1 . ASP 72 72 27726 1 . LYS 73 73 27726 1 . ILE 74 74 27726 1 . ARG 75 75 27726 1 . PRO 76 76 27726 1 . LEU 77 77 27726 1 . TRP 78 78 27726 1 . ARG 79 79 27726 1 . HIS 80 80 27726 1 . TYR 81 81 27726 1 . PHE 82 82 27726 1 . GLN 83 83 27726 1 . ASN 84 84 27726 1 . THR 85 85 27726 1 . GLN 86 86 27726 1 . GLY 87 87 27726 1 . LEU 88 88 27726 1 . ILE 89 89 27726 1 . PHE 90 90 27726 1 . VAL 91 91 27726 1 . VAL 92 92 27726 1 . ASP 93 93 27726 1 . SER 94 94 27726 1 . ASN 95 95 27726 1 . ASP 96 96 27726 1 . ARG 97 97 27726 1 . GLU 98 98 27726 1 . ARG 99 99 27726 1 . VAL 100 100 27726 1 . ASN 101 101 27726 1 . GLU 102 102 27726 1 . ALA 103 103 27726 1 . ARG 104 104 27726 1 . GLU 105 105 27726 1 . GLU 106 106 27726 1 . LEU 107 107 27726 1 . MET 108 108 27726 1 . ARG 109 109 27726 1 . MET 110 110 27726 1 . LEU 111 111 27726 1 . ALA 112 112 27726 1 . GLU 113 113 27726 1 . ASP 114 114 27726 1 . GLU 115 115 27726 1 . LEU 116 116 27726 1 . ARG 117 117 27726 1 . ASP 118 118 27726 1 . ALA 119 119 27726 1 . VAL 120 120 27726 1 . LEU 121 121 27726 1 . LEU 122 122 27726 1 . VAL 123 123 27726 1 . PHE 124 124 27726 1 . ALA 125 125 27726 1 . ASN 126 126 27726 1 . LYS 127 127 27726 1 . GLN 128 128 27726 1 . ASP 129 129 27726 1 . LEU 130 130 27726 1 . PRO 131 131 27726 1 . ASN 132 132 27726 1 . ALA 133 133 27726 1 . MET 134 134 27726 1 . ASN 135 135 27726 1 . ALA 136 136 27726 1 . ALA 137 137 27726 1 . GLU 138 138 27726 1 . ILE 139 139 27726 1 . THR 140 140 27726 1 . ASP 141 141 27726 1 . LYS 142 142 27726 1 . LEU 143 143 27726 1 . GLY 144 144 27726 1 . LEU 145 145 27726 1 . HIS 146 146 27726 1 . SER 147 147 27726 1 . LEU 148 148 27726 1 . ARG 149 149 27726 1 . HIS 150 150 27726 1 . ARG 151 151 27726 1 . ASN 152 152 27726 1 . TRP 153 153 27726 1 . TYR 154 154 27726 1 . ILE 155 155 27726 1 . GLN 156 156 27726 1 . ALA 157 157 27726 1 . THR 158 158 27726 1 . CYS 159 159 27726 1 . ALA 160 160 27726 1 . THR 161 161 27726 1 . SER 162 162 27726 1 . GLY 163 163 27726 1 . ASP 164 164 27726 1 . GLY 165 165 27726 1 . LEU 166 166 27726 1 . TYR 167 167 27726 1 . GLU 168 168 27726 1 . GLY 169 169 27726 1 . LEU 170 170 27726 1 . ASP 171 171 27726 1 . TRP 172 172 27726 1 . LEU 173 173 27726 1 . SER 174 174 27726 1 . ASN 175 175 27726 1 . GLN 176 176 27726 1 . LEU 177 177 27726 1 . ARG 178 178 27726 1 . ASN 179 179 27726 1 . GLN 180 180 27726 1 . LYS 181 181 27726 1 stop_ save_ save_entity_GSP _Entity.Sf_category entity _Entity.Sf_framecode entity_GSP _Entity.Entry_ID 27726 _Entity.ID 2 _Entity.BMRB_code GSP _Entity.Name 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID GSP _Entity.Nonpolymer_comp_label $chem_comp_GSP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 539.246 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE BMRB 27726 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE BMRB 27726 2 GSP 'Three letter code' 27726 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GSP $chem_comp_GSP 27726 2 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 27726 _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 $Arf1_L8K . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27726 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 27726 _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 $Arf1_L8K . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET19b . . . 27726 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_GSP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GSP _Chem_comp.Entry_ID 27726 _Chem_comp.ID GSP _Chem_comp.Provenance PDB _Chem_comp.Name 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code GSP _Chem_comp.PDB_code GSP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code GSP _Chem_comp.Number_atoms_all 48 _Chem_comp.Number_atoms_nh 32 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C10H16N5O13P3S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(26-9)1-25-29(19,20)27-30(21,22)28-31(23,24)32/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H,21,22)(H2,23,24,32)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 ; _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H16 N5 O13 P3 S' _Chem_comp.Formula_weight 539.246 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1GIA _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID ; InChI=1S/C10H16N5O13P3S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(26-9)1-25-29(19,20)27-30(21,22)28-31(23,24)32/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H,21,22)(H2,23,24,32)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 ; InChI InChI 1.03 27726 GSP NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=S)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 27726 GSP NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O SMILES CACTVS 3.341 27726 GSP S=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O SMILES ACDLabs 10.04 27726 GSP XOFLBQFBSOEHOG-UUOKFMHZSA-N InChIKey InChI 1.03 27726 GSP c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N SMILES 'OpenEye OEToolkits' 1.5.0 27726 GSP c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 27726 GSP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 5'-O-[(S)-hydroxy{[(S)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]guanosine 'SYSTEMATIC NAME' ACDLabs 10.04 27726 GSP ; [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] dihydroxyphosphinothioyl hydrogen phosphate ; 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 27726 GSP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID PG PG PG PG . P . . N 0 . . . 1 no no . . . . 37.221 . -32.274 . 12.474 . -1.026 -0.484 6.915 1 . 27726 GSP O3B O3B O3B O3B . O . . N 0 . . . 1 no no . . . . 37.514 . -31.584 . 10.994 . -1.015 -1.198 5.472 2 . 27726 GSP S1G S1G S1G S1G . S . . N 0 . . . 1 no no . . . . 38.939 . -32.825 . 13.146 . -1.772 1.216 6.761 3 . 27726 GSP O2G O2G O2G O2G . O . . N 0 . . . 1 no no . . . . 36.396 . -31.275 . 13.244 . -1.900 -1.363 7.942 4 . 27726 GSP O3G O3G O3G O3G . O . . N 0 . . . 1 no no . . . . 36.476 . -33.475 . 12.007 . 0.482 -0.360 7.463 5 . 27726 GSP PB PB PB PB . P . . S 0 . . . 1 no no . . . . 36.539 . -30.736 . 10.068 . -0.128 -0.270 4.500 6 . 27726 GSP O1B O1B O1B O1B . O . . N 0 . . . 1 no no . . . . 36.062 . -31.672 . 9.055 . -0.735 1.076 4.415 7 . 27726 GSP O2B O2B O2B O2B . O . . N 0 . . . 1 no no . . . . 35.474 . -29.962 . 10.831 . 1.365 -0.150 5.089 8 . 27726 GSP PA PA PA PA . P . . S 0 . . . 1 no no . . . . 37.707 . -28.074 . 9.474 . 0.823 0.046 2.117 9 . 27726 GSP O1A O1A O1A O1A . O . . N 0 . . . 1 no no . . . . 36.469 . -27.480 . 8.953 . 0.201 1.388 2.069 10 . 27726 GSP O2A O2A O2A O2A . O . . N 0 . . . 1 no no . . . . 38.124 . -27.746 . 10.879 . 2.300 0.161 2.746 11 . 27726 GSP O3A O3A O3A O3A . O . . N 0 . . . 1 no no . . . . 37.499 . -29.683 . 9.305 . -0.074 -0.928 3.031 12 . 27726 GSP O5' O5' O5' O5* . O . . N 0 . . . 1 no no . . . . 38.916 . -27.799 . 8.441 . 0.919 -0.554 0.627 13 . 27726 GSP C5' C5' C5' C5* . C . . N 0 . . . 1 no no . . . . 40.290 . -27.982 . 8.746 . 1.724 0.350 -0.131 14 . 27726 GSP C4' C4' C4' C4* . C . . R 0 . . . 1 no no . . . . 41.124 . -26.932 . 8.112 . 1.857 -0.164 -1.566 15 . 27726 GSP O4' O4' O4' O4* . O . . N 0 . . . 1 no no . . . . 40.934 . -26.927 . 6.670 . 0.559 -0.236 -2.196 16 . 27726 GSP C3' C3' C3' C3* . C . . S 0 . . . 1 no no . . . . 40.695 . -25.538 . 8.607 . 2.659 0.836 -2.427 17 . 27726 GSP O3' O3' O3' O3* . O . . N 0 . . . 1 no no . . . . 41.853 . -24.747 . 8.895 . 4.023 0.424 -2.534 18 . 27726 GSP C2' C2' C2' C2* . C . . R 0 . . . 1 no no . . . . 39.943 . -24.929 . 7.393 . 1.965 0.783 -3.809 19 . 27726 GSP O2' O2' O2' O2* . O . . N 0 . . . 1 no no . . . . 40.086 . -23.530 . 7.331 . 2.881 0.339 -4.812 20 . 27726 GSP C1' C1' C1' C1* . C . . R 0 . . . 1 no no . . . . 40.647 . -25.588 . 6.205 . 0.825 -0.240 -3.615 21 . 27726 GSP N9 N9 N9 N9 . N . . N 0 . . . 1 yes no . . . . 39.749 . -25.681 . 5.036 . -0.366 0.176 -4.358 22 . 27726 GSP C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 38.509 . -26.289 . 4.920 . -1.361 0.989 -3.898 23 . 27726 GSP N7 N7 N7 N7 . N . . N 0 . . . 1 yes no . . . . 37.992 . -26.231 . 3.746 . -2.263 1.148 -4.822 24 . 27726 GSP C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . 39.028 . -25.685 . 2.977 . -1.902 0.451 -5.926 25 . 27726 GSP C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 39.130 . -25.486 . 1.542 . -2.480 0.259 -7.203 26 . 27726 GSP O6 O6 O6 O6 . O . . N 0 . . . 1 no no . . . . 38.359 . -25.823 . 0.637 . -3.539 0.788 -7.495 27 . 27726 GSP N1 N1 N1 N1 . N . . N 0 . . . 1 no no . . . . 40.312 . -24.833 . 1.213 . -1.827 -0.519 -8.093 28 . 27726 GSP C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 41.311 . -24.534 . 2.099 . -0.646 -1.110 -7.754 29 . 27726 GSP N2 N2 N2 N2 . N . . N 0 . . . 1 no no . . . . 42.330 . -23.811 . 1.690 . -0.008 -1.900 -8.677 30 . 27726 GSP N3 N3 N3 N3 . N . . N 0 . . . 1 no no . . . . 41.260 . -24.824 . 3.393 . -0.098 -0.940 -6.572 31 . 27726 GSP C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . 40.065 . -25.317 . 3.772 . -0.685 -0.177 -5.641 32 . 27726 GSP HOG2 HOG2 HOG2 2HOG . H . . N 0 . . . 0 no no . . . . 36.228 . -31.670 . 14.091 . -1.880 -0.901 8.791 33 . 27726 GSP HOG3 HOG3 HOG3 3HOG . H . . N 0 . . . 0 no no . . . . 36.308 . -33.870 . 12.854 . 0.831 -1.260 7.528 34 . 27726 GSP HOB2 HOB2 HOB2 2HOB . H . . N 0 . . . 0 no no . . . . 34.891 . -29.455 . 10.277 . 1.723 -1.047 5.128 35 . 27726 GSP HOA2 HOA2 HOA2 2HOA . H . . N 0 . . . 0 no no . . . . 38.924 . -28.130 . 11.216 . 2.669 -0.732 2.759 36 . 27726 GSP H5'1 H5'1 H5'1 1H5* . H . . N 0 . . . 0 no no . . . . 40.462 . -28.033 . 9.846 . 2.713 0.423 0.321 37 . 27726 GSP H5'2 H5'2 H5'2 2H5* . H . . N 0 . . . 0 no no . . . . 40.638 . -29.004 . 8.470 . 1.255 1.334 -0.140 38 . 27726 GSP H4' H4' H4' H4* . H . . N 0 . . . 1 no no . . . . 42.184 . -27.151 . 8.376 . 2.337 -1.142 -1.574 39 . 27726 GSP H3' H3' H3' H3* . H . . N 0 . . . 1 no no . . . . 40.075 . -25.578 . 9.533 . 2.596 1.839 -2.005 40 . 27726 GSP HO3' HO3' HO3' *HO3 . H . . N 0 . . . 0 no no . . . . 41.588 . -23.887 . 9.200 . 4.472 1.083 -3.080 41 . 27726 GSP H2' H2' H2' H2* . H . . N 0 . . . 1 no no . . . . 38.843 . -25.108 . 7.433 . 1.559 1.760 -4.070 42 . 27726 GSP HO2' HO2' HO2' *HO2 . H . . N 0 . . . 0 no no . . . . 39.625 . -23.157 . 6.588 . 3.598 0.987 -4.842 43 . 27726 GSP H1' H1' H1' H1* . H . . N 0 . . . 1 no no . . . . 41.546 . -25.010 . 5.887 . 1.146 -1.230 -3.938 44 . 27726 GSP H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 37.956 . -26.797 . 5.728 . -1.395 1.433 -2.914 45 . 27726 GSP HN1 HN1 HN1 HN1 . H . . N 0 . . . 1 no no . . . . 40.458 . -24.550 . 0.243 . -2.204 -0.665 -8.975 46 . 27726 GSP HN21 HN21 HN21 1HN2 . H . . N 0 . . . 0 no no . . . . 43.074 . -23.588 . 2.350 . 0.834 -2.324 -8.451 47 . 27726 GSP HN22 HN22 HN22 2HN2 . H . . N 0 . . . 0 no no . . . . 41.976 . -22.942 . 1.288 . -0.401 -2.039 -9.552 48 . 27726 GSP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING PG O3B no N 1 . 27726 GSP 2 . DOUB PG S1G no N 2 . 27726 GSP 3 . SING PG O2G no N 3 . 27726 GSP 4 . SING PG O3G no N 4 . 27726 GSP 5 . SING O3B PB no N 5 . 27726 GSP 6 . SING O2G HOG2 no N 6 . 27726 GSP 7 . SING O3G HOG3 no N 7 . 27726 GSP 8 . DOUB PB O1B no N 8 . 27726 GSP 9 . SING PB O2B no N 9 . 27726 GSP 10 . SING PB O3A no N 10 . 27726 GSP 11 . SING O2B HOB2 no N 11 . 27726 GSP 12 . DOUB PA O1A no N 12 . 27726 GSP 13 . SING PA O2A no N 13 . 27726 GSP 14 . SING PA O3A no N 14 . 27726 GSP 15 . SING PA O5' no N 15 . 27726 GSP 16 . SING O2A HOA2 no N 16 . 27726 GSP 17 . SING O5' C5' no N 17 . 27726 GSP 18 . SING C5' C4' no N 18 . 27726 GSP 19 . SING C5' H5'1 no N 19 . 27726 GSP 20 . SING C5' H5'2 no N 20 . 27726 GSP 21 . SING C4' O4' no N 21 . 27726 GSP 22 . SING C4' C3' no N 22 . 27726 GSP 23 . SING C4' H4' no N 23 . 27726 GSP 24 . SING O4' C1' no N 24 . 27726 GSP 25 . SING C3' O3' no N 25 . 27726 GSP 26 . SING C3' C2' no N 26 . 27726 GSP 27 . SING C3' H3' no N 27 . 27726 GSP 28 . SING O3' HO3' no N 28 . 27726 GSP 29 . SING C2' O2' no N 29 . 27726 GSP 30 . SING C2' C1' no N 30 . 27726 GSP 31 . SING C2' H2' no N 31 . 27726 GSP 32 . SING O2' HO2' no N 32 . 27726 GSP 33 . SING C1' N9 no N 33 . 27726 GSP 34 . SING C1' H1' no N 34 . 27726 GSP 35 . SING N9 C8 yes N 35 . 27726 GSP 36 . SING N9 C4 yes N 36 . 27726 GSP 37 . DOUB C8 N7 yes N 37 . 27726 GSP 38 . SING C8 H8 no N 38 . 27726 GSP 39 . SING N7 C5 yes N 39 . 27726 GSP 40 . SING C5 C6 no N 40 . 27726 GSP 41 . DOUB C5 C4 yes N 41 . 27726 GSP 42 . DOUB C6 O6 no N 42 . 27726 GSP 43 . SING C6 N1 no N 43 . 27726 GSP 44 . SING N1 C2 no N 44 . 27726 GSP 45 . SING N1 HN1 no N 45 . 27726 GSP 46 . SING C2 N2 no N 46 . 27726 GSP 47 . DOUB C2 N3 no N 47 . 27726 GSP 48 . SING N2 HN21 no N 48 . 27726 GSP 49 . SING N2 HN22 no N 49 . 27726 GSP 50 . SING N3 C4 no N 50 . 27726 GSP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27726 _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 Arf1_L8K_GTPgS '[U-100% 13C; U-100% 15N; U-95% 2H] ILV methyl protonated' . . 1 $Arf1_L8K . . 500 . . uM . . . . 27726 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27726 _Sample.ID 2 _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 Arf1_L8K_GTPgS '[U-100% 15N; U-95% 2H] ILV methyl 13C labeled and protonated' . . 1 $Arf1_L8K . . 500 . . uM . . . . 27726 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27726 _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 27726 1 pH 7.4 . pH 27726 1 pressure 1 . atm 27726 1 temperature 298 . K 27726 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27726 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27726 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27726 1 Goddard . . 27726 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27726 1 collection 27726 1 'data analysis' 27726 1 'peak picking' 27726 1 processing 27726 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 27726 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27726 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 27726 _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 . . . 27726 1 2 spectrometer_2 Bruker Avance . 850 . . . 27726 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 27726 _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 . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27726 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27726 1 3 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27726 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27726 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27726 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27726 1 7 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27726 1 8 '2D 1H-13C HMQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27726 1 9 '3D (H)CC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27726 1 10 '4D methyl-methyl NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27726 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 27726 _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 . . . . . 27726 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27726 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27726 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 27726 _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' . . . 27726 1 2 '3D HNCACB' . . . 27726 1 3 '3D HN(COCA)CB' . . . 27726 1 4 '3D HNCA' . . . 27726 1 5 '3D HN(CO)CA' . . . 27726 1 6 '3D HNCO' . . . 27726 1 7 '3D HCACO' . . . 27726 1 8 '2D 1H-13C HMQC' . . . 27726 1 9 '3D (H)CC(CO)NH' . . . 27726 1 10 '4D methyl-methyl NOESY' . . . 27726 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 ILE HD11 H 1 0.67 . . 1 . . . . . 4 I MD . 27726 1 2 . 1 1 4 4 ILE HD12 H 1 0.67 . . 1 . . . . . 4 I MD . 27726 1 3 . 1 1 4 4 ILE HD13 H 1 0.67 . . 1 . . . . . 4 I MD . 27726 1 4 . 1 1 4 4 ILE CD1 C 13 10.1 . . 1 . . . . . 4 I CD1 . 27726 1 5 . 1 1 12 12 LEU HD11 H 1 0.87 . . 2 . . . . . 12 L MD1 . 27726 1 6 . 1 1 12 12 LEU HD12 H 1 0.87 . . 2 . . . . . 12 L MD1 . 27726 1 7 . 1 1 12 12 LEU HD13 H 1 0.87 . . 2 . . . . . 12 L MD1 . 27726 1 8 . 1 1 12 12 LEU HD21 H 1 0.8 . . 2 . . . . . 12 L MD2 . 27726 1 9 . 1 1 12 12 LEU HD22 H 1 0.8 . . 2 . . . . . 12 L MD2 . 27726 1 10 . 1 1 12 12 LEU HD23 H 1 0.8 . . 2 . . . . . 12 L MD2 . 27726 1 11 . 1 1 12 12 LEU CD1 C 13 23.67 . . 2 . . . . . 12 L CD1 . 27726 1 12 . 1 1 12 12 LEU CD2 C 13 19.28 . . 2 . . . . . 12 L CD2 . 27726 1 13 . 1 1 16 16 LYS H H 1 8.28 . . 1 . . . . . 16 K H . 27726 1 14 . 1 1 16 16 LYS CA C 13 55.04 . . 1 . . . . . 16 K CA . 27726 1 15 . 1 1 16 16 LYS CB C 13 33.34 . . 1 . . . . . 16 K CB . 27726 1 16 . 1 1 16 16 LYS N N 15 122.67 . . 1 . . . . . 16 K N . 27726 1 17 . 1 1 17 17 GLU H H 1 8.19 . . 1 . . . . . 17 E H . 27726 1 18 . 1 1 17 17 GLU CA C 13 54.5 . . 1 . . . . . 17 E CA . 27726 1 19 . 1 1 17 17 GLU CB C 13 31.65 . . 1 . . . . . 17 E CB . 27726 1 20 . 1 1 17 17 GLU N N 15 121.22 . . 1 . . . . . 17 E N . 27726 1 21 . 1 1 18 18 MET H H 1 8.13 . . 1 . . . . . 18 M H . 27726 1 22 . 1 1 18 18 MET CA C 13 54.65 . . 1 . . . . . 18 M CA . 27726 1 23 . 1 1 18 18 MET CB C 13 35.34 . . 1 . . . . . 18 M CB . 27726 1 24 . 1 1 18 18 MET N N 15 120.84 . . 1 . . . . . 18 M N . 27726 1 25 . 1 1 19 19 ARG H H 1 9.12 . . 1 . . . . . 19 R H . 27726 1 26 . 1 1 19 19 ARG CA C 13 56.29 . . 1 . . . . . 19 R CA . 27726 1 27 . 1 1 19 19 ARG CB C 13 29.82 . . 1 . . . . . 19 R CB . 27726 1 28 . 1 1 19 19 ARG N N 15 127.14 . . 1 . . . . . 19 R N . 27726 1 29 . 1 1 20 20 ILE H H 1 9.62 . . 1 . . . . . 20 I H . 27726 1 30 . 1 1 20 20 ILE HD11 H 1 0.75 . . 1 . . . . . 20 I MD . 27726 1 31 . 1 1 20 20 ILE HD12 H 1 0.75 . . 1 . . . . . 20 I MD . 27726 1 32 . 1 1 20 20 ILE HD13 H 1 0.75 . . 1 . . . . . 20 I MD . 27726 1 33 . 1 1 20 20 ILE CA C 13 56.16 . . 1 . . . . . 20 I CA . 27726 1 34 . 1 1 20 20 ILE CB C 13 38.16 . . 1 . . . . . 20 I CB . 27726 1 35 . 1 1 20 20 ILE CD1 C 13 7.24 . . 1 . . . . . 20 I CD1 . 27726 1 36 . 1 1 20 20 ILE N N 15 128.93 . . 1 . . . . . 20 I N . 27726 1 37 . 1 1 21 21 LEU HD11 H 1 0.76 . . 2 . . . . . 21 L MD1 . 27726 1 38 . 1 1 21 21 LEU HD12 H 1 0.76 . . 2 . . . . . 21 L MD1 . 27726 1 39 . 1 1 21 21 LEU HD13 H 1 0.76 . . 2 . . . . . 21 L MD1 . 27726 1 40 . 1 1 21 21 LEU HD21 H 1 0.88 . . 2 . . . . . 21 L MD2 . 27726 1 41 . 1 1 21 21 LEU HD22 H 1 0.88 . . 2 . . . . . 21 L MD2 . 27726 1 42 . 1 1 21 21 LEU HD23 H 1 0.88 . . 2 . . . . . 21 L MD2 . 27726 1 43 . 1 1 21 21 LEU CD1 C 13 21.02 . . 2 . . . . . 21 L CD1 . 27726 1 44 . 1 1 21 21 LEU CD2 C 13 23.43 . . 2 . . . . . 21 L CD2 . 27726 1 45 . 1 1 23 23 VAL HG11 H 1 0.32 . . 2 . . . . . 23 V MG1 . 27726 1 46 . 1 1 23 23 VAL HG12 H 1 0.32 . . 2 . . . . . 23 V MG1 . 27726 1 47 . 1 1 23 23 VAL HG13 H 1 0.32 . . 2 . . . . . 23 V MG1 . 27726 1 48 . 1 1 23 23 VAL HG21 H 1 -0.11 . . 2 . . . . . 23 V MG2 . 27726 1 49 . 1 1 23 23 VAL HG22 H 1 -0.11 . . 2 . . . . . 23 V MG2 . 27726 1 50 . 1 1 23 23 VAL HG23 H 1 -0.11 . . 2 . . . . . 23 V MG2 . 27726 1 51 . 1 1 23 23 VAL CG1 C 13 16.27 . . 2 . . . . . 23 V CG1 . 27726 1 52 . 1 1 23 23 VAL CG2 C 13 18.53 . . 2 . . . . . 23 V CG2 . 27726 1 53 . 1 1 24 24 GLY H H 1 6 . . 1 . . . . . 24 G H . 27726 1 54 . 1 1 24 24 GLY CA C 13 43.1 . . 1 . . . . . 24 G CA . 27726 1 55 . 1 1 24 24 GLY N N 15 105.31 . . 1 . . . . . 24 G N . 27726 1 56 . 1 1 25 25 LEU H H 1 10.14 . . 1 . . . . . 25 L H . 27726 1 57 . 1 1 25 25 LEU HD11 H 1 0.93 . . 2 . . . . . 25 L MD1 . 27726 1 58 . 1 1 25 25 LEU HD12 H 1 0.93 . . 2 . . . . . 25 L MD1 . 27726 1 59 . 1 1 25 25 LEU HD13 H 1 0.93 . . 2 . . . . . 25 L MD1 . 27726 1 60 . 1 1 25 25 LEU HD21 H 1 0.91 . . 2 . . . . . 25 L MD2 . 27726 1 61 . 1 1 25 25 LEU HD22 H 1 0.91 . . 2 . . . . . 25 L MD2 . 27726 1 62 . 1 1 25 25 LEU HD23 H 1 0.91 . . 2 . . . . . 25 L MD2 . 27726 1 63 . 1 1 25 25 LEU CA C 13 55.35 . . 1 . . . . . 25 L CA . 27726 1 64 . 1 1 25 25 LEU CB C 13 39.48 . . 1 . . . . . 25 L CB . 27726 1 65 . 1 1 25 25 LEU CD1 C 13 22.6 . . 2 . . . . . 25 L CD1 . 27726 1 66 . 1 1 25 25 LEU CD2 C 13 18.41 . . 2 . . . . . 25 L CD2 . 27726 1 67 . 1 1 25 25 LEU N N 15 120.48 . . 1 . . . . . 25 L N . 27726 1 68 . 1 1 26 26 ASP H H 1 8.42 . . 1 . . . . . 26 D H . 27726 1 69 . 1 1 26 26 ASP CA C 13 53.6 . . 1 . . . . . 26 D CA . 27726 1 70 . 1 1 26 26 ASP CB C 13 40.41 . . 1 . . . . . 26 D CB . 27726 1 71 . 1 1 26 26 ASP N N 15 115.99 . . 1 . . . . . 26 D N . 27726 1 72 . 1 1 27 27 ALA H H 1 8.03 . . 1 . . . . . 27 A H . 27726 1 73 . 1 1 27 27 ALA CA C 13 53.54 . . 1 . . . . . 27 A CA . 27726 1 74 . 1 1 27 27 ALA CB C 13 16.19 . . 1 . . . . . 27 A CB . 27726 1 75 . 1 1 27 27 ALA N N 15 117.38 . . 1 . . . . . 27 A N . 27726 1 76 . 1 1 28 28 ALA H H 1 7.55 . . 1 . . . . . 28 A H . 27726 1 77 . 1 1 28 28 ALA CA C 13 55.7 . . 1 . . . . . 28 A CA . 27726 1 78 . 1 1 28 28 ALA CB C 13 19.01 . . 1 . . . . . 28 A CB . 27726 1 79 . 1 1 28 28 ALA N N 15 122.32 . . 1 . . . . . 28 A N . 27726 1 80 . 1 1 29 29 GLY H H 1 8.2 . . 1 . . . . . 29 G H . 27726 1 81 . 1 1 29 29 GLY CA C 13 45.05 . . 1 . . . . . 29 G CA . 27726 1 82 . 1 1 29 29 GLY N N 15 100.54 . . 1 . . . . . 29 G N . 27726 1 83 . 1 1 30 30 LYS H H 1 9.02 . . 1 . . . . . 30 K H . 27726 1 84 . 1 1 30 30 LYS CA C 13 59.48 . . 1 . . . . . 30 K CA . 27726 1 85 . 1 1 30 30 LYS CB C 13 29.38 . . 1 . . . . . 30 K CB . 27726 1 86 . 1 1 30 30 LYS N N 15 122.02 . . 1 . . . . . 30 K N . 27726 1 87 . 1 1 31 31 THR H H 1 8.97 . . 1 . . . . . 31 T H . 27726 1 88 . 1 1 31 31 THR CA C 13 65.36 . . 1 . . . . . 31 T CA . 27726 1 89 . 1 1 31 31 THR CB C 13 67.61 . . 1 . . . . . 31 T CB . 27726 1 90 . 1 1 31 31 THR N N 15 119 . . 1 . . . . . 31 T N . 27726 1 91 . 1 1 33 33 ILE HD11 H 1 0.5 . . 1 . . . . . 33 I MD . 27726 1 92 . 1 1 33 33 ILE HD12 H 1 0.5 . . 1 . . . . . 33 I MD . 27726 1 93 . 1 1 33 33 ILE HD13 H 1 0.5 . . 1 . . . . . 33 I MD . 27726 1 94 . 1 1 33 33 ILE CD1 C 13 11.14 . . 1 . . . . . 33 I CD1 . 27726 1 95 . 1 1 34 34 LEU HD11 H 1 0.53 . . 2 . . . . . 34 L MD1 . 27726 1 96 . 1 1 34 34 LEU HD12 H 1 0.53 . . 2 . . . . . 34 L MD1 . 27726 1 97 . 1 1 34 34 LEU HD13 H 1 0.53 . . 2 . . . . . 34 L MD1 . 27726 1 98 . 1 1 34 34 LEU HD21 H 1 0.55 . . 2 . . . . . 34 L MD2 . 27726 1 99 . 1 1 34 34 LEU HD22 H 1 0.55 . . 2 . . . . . 34 L MD2 . 27726 1 100 . 1 1 34 34 LEU HD23 H 1 0.55 . . 2 . . . . . 34 L MD2 . 27726 1 101 . 1 1 34 34 LEU CD1 C 13 19.89 . . 2 . . . . . 34 L CD1 . 27726 1 102 . 1 1 34 34 LEU CD2 C 13 23.7 . . 2 . . . . . 34 L CD2 . 27726 1 103 . 1 1 35 35 TYR H H 1 7.93 . . 1 . . . . . 35 Y H . 27726 1 104 . 1 1 35 35 TYR CA C 13 62.98 . . 1 . . . . . 35 Y CA . 27726 1 105 . 1 1 35 35 TYR CB C 13 37.43 . . 1 . . . . . 35 Y CB . 27726 1 106 . 1 1 35 35 TYR N N 15 112.41 . . 1 . . . . . 35 Y N . 27726 1 107 . 1 1 36 36 LYS H H 1 8.37 . . 1 . . . . . 36 K H . 27726 1 108 . 1 1 36 36 LYS CA C 13 57.73 . . 1 . . . . . 36 K CA . 27726 1 109 . 1 1 36 36 LYS CB C 13 30.27 . . 1 . . . . . 36 K CB . 27726 1 110 . 1 1 36 36 LYS N N 15 125.32 . . 1 . . . . . 36 K N . 27726 1 111 . 1 1 37 37 LEU H H 1 8.06 . . 1 . . . . . 37 L H . 27726 1 112 . 1 1 37 37 LEU HD11 H 1 0.17 . . 2 . . . . . 37 L MD1 . 27726 1 113 . 1 1 37 37 LEU HD12 H 1 0.17 . . 2 . . . . . 37 L MD1 . 27726 1 114 . 1 1 37 37 LEU HD13 H 1 0.17 . . 2 . . . . . 37 L MD1 . 27726 1 115 . 1 1 37 37 LEU HD21 H 1 0.43 . . 2 . . . . . 37 L MD2 . 27726 1 116 . 1 1 37 37 LEU HD22 H 1 0.43 . . 2 . . . . . 37 L MD2 . 27726 1 117 . 1 1 37 37 LEU HD23 H 1 0.43 . . 2 . . . . . 37 L MD2 . 27726 1 118 . 1 1 37 37 LEU CA C 13 56.81 . . 1 . . . . . 37 L CA . 27726 1 119 . 1 1 37 37 LEU CB C 13 41.53 . . 1 . . . . . 37 L CB . 27726 1 120 . 1 1 37 37 LEU CD1 C 13 19.81 . . 2 . . . . . 37 L CD1 . 27726 1 121 . 1 1 37 37 LEU CD2 C 13 21.97 . . 2 . . . . . 37 L CD2 . 27726 1 122 . 1 1 37 37 LEU N N 15 118.27 . . 1 . . . . . 37 L N . 27726 1 123 . 1 1 38 38 LYS H H 1 8.45 . . 1 . . . . . 38 K H . 27726 1 124 . 1 1 38 38 LYS CA C 13 57.78 . . 1 . . . . . 38 K CA . 27726 1 125 . 1 1 38 38 LYS CB C 13 32.83 . . 1 . . . . . 38 K CB . 27726 1 126 . 1 1 38 38 LYS N N 15 116.63 . . 1 . . . . . 38 K N . 27726 1 127 . 1 1 39 39 LEU H H 1 8.78 . . 1 . . . . . 39 L H . 27726 1 128 . 1 1 39 39 LEU HD11 H 1 0.86 . . 2 . . . . . 39 L MD1 . 27726 1 129 . 1 1 39 39 LEU HD12 H 1 0.86 . . 2 . . . . . 39 L MD1 . 27726 1 130 . 1 1 39 39 LEU HD13 H 1 0.86 . . 2 . . . . . 39 L MD1 . 27726 1 131 . 1 1 39 39 LEU HD21 H 1 0.9 . . 2 . . . . . 39 L MD2 . 27726 1 132 . 1 1 39 39 LEU HD22 H 1 0.9 . . 2 . . . . . 39 L MD2 . 27726 1 133 . 1 1 39 39 LEU HD23 H 1 0.9 . . 2 . . . . . 39 L MD2 . 27726 1 134 . 1 1 39 39 LEU CA C 13 54.17 . . 1 . . . . . 39 L CA . 27726 1 135 . 1 1 39 39 LEU CB C 13 43.1 . . 1 . . . . . 39 L CB . 27726 1 136 . 1 1 39 39 LEU CD1 C 13 22.67 . . 2 . . . . . 39 L CD1 . 27726 1 137 . 1 1 39 39 LEU CD2 C 13 19.32 . . 2 . . . . . 39 L CD2 . 27726 1 138 . 1 1 39 39 LEU N N 15 113.49 . . 1 . . . . . 39 L N . 27726 1 139 . 1 1 40 40 GLY H H 1 7.74 . . 1 . . . . . 40 G H . 27726 1 140 . 1 1 40 40 GLY CA C 13 45.63 . . 1 . . . . . 40 G CA . 27726 1 141 . 1 1 40 40 GLY N N 15 107.6 . . 1 . . . . . 40 G N . 27726 1 142 . 1 1 41 41 GLU H H 1 6.85 . . 1 . . . . . 41 E H . 27726 1 143 . 1 1 41 41 GLU CA C 13 53.56 . . 1 . . . . . 41 E CA . 27726 1 144 . 1 1 41 41 GLU CB C 13 32.98 . . 1 . . . . . 41 E CB . 27726 1 145 . 1 1 41 41 GLU N N 15 116.58 . . 1 . . . . . 41 E N . 27726 1 146 . 1 1 42 42 ILE H H 1 8.43 . . 1 . . . . . 42 I H . 27726 1 147 . 1 1 42 42 ILE HD11 H 1 0.63 . . 1 . . . . . 42 I MD . 27726 1 148 . 1 1 42 42 ILE HD12 H 1 0.63 . . 1 . . . . . 42 I MD . 27726 1 149 . 1 1 42 42 ILE HD13 H 1 0.63 . . 1 . . . . . 42 I MD . 27726 1 150 . 1 1 42 42 ILE CA C 13 59.1 . . 1 . . . . . 42 I CA . 27726 1 151 . 1 1 42 42 ILE CB C 13 35.89 . . 1 . . . . . 42 I CB . 27726 1 152 . 1 1 42 42 ILE CD1 C 13 9.62 . . 1 . . . . . 42 I CD1 . 27726 1 153 . 1 1 42 42 ILE N N 15 120.72 . . 1 . . . . . 42 I N . 27726 1 154 . 1 1 43 43 VAL H H 1 7.93 . . 1 . . . . . 43 V H . 27726 1 155 . 1 1 43 43 VAL HG11 H 1 0.62 . . 2 . . . . . 43 V MG1 . 27726 1 156 . 1 1 43 43 VAL HG12 H 1 0.62 . . 2 . . . . . 43 V MG1 . 27726 1 157 . 1 1 43 43 VAL HG13 H 1 0.62 . . 2 . . . . . 43 V MG1 . 27726 1 158 . 1 1 43 43 VAL HG21 H 1 0.59 . . 2 . . . . . 43 V MG2 . 27726 1 159 . 1 1 43 43 VAL HG22 H 1 0.59 . . 2 . . . . . 43 V MG2 . 27726 1 160 . 1 1 43 43 VAL HG23 H 1 0.59 . . 2 . . . . . 43 V MG2 . 27726 1 161 . 1 1 43 43 VAL CA C 13 59.96 . . 1 . . . . . 43 V CA . 27726 1 162 . 1 1 43 43 VAL CB C 13 32.47 . . 1 . . . . . 43 V CB . 27726 1 163 . 1 1 43 43 VAL CG1 C 13 18.49 . . 2 . . . . . 43 V CG1 . 27726 1 164 . 1 1 43 43 VAL CG2 C 13 15.6 . . 2 . . . . . 43 V CG2 . 27726 1 165 . 1 1 43 43 VAL N N 15 122.98 . . 1 . . . . . 43 V N . 27726 1 166 . 1 1 44 44 THR H H 1 8.34 . . 1 . . . . . 44 T H . 27726 1 167 . 1 1 44 44 THR CA C 13 62.23 . . 1 . . . . . 44 T CA . 27726 1 168 . 1 1 44 44 THR CB C 13 68.26 . . 1 . . . . . 44 T CB . 27726 1 169 . 1 1 44 44 THR N N 15 118.31 . . 1 . . . . . 44 T N . 27726 1 170 . 1 1 45 45 THR H H 1 8.27 . . 1 . . . . . 45 T H . 27726 1 171 . 1 1 45 45 THR CA C 13 59.37 . . 1 . . . . . 45 T CA . 27726 1 172 . 1 1 45 45 THR CB C 13 70.48 . . 1 . . . . . 45 T CB . 27726 1 173 . 1 1 45 45 THR N N 15 118.25 . . 1 . . . . . 45 T N . 27726 1 174 . 1 1 46 46 ILE H H 1 7.93 . . 1 . . . . . 46 I H . 27726 1 175 . 1 1 46 46 ILE HD11 H 1 0.76 . . 1 . . . . . 46 I MD . 27726 1 176 . 1 1 46 46 ILE HD12 H 1 0.76 . . 1 . . . . . 46 I MD . 27726 1 177 . 1 1 46 46 ILE HD13 H 1 0.76 . . 1 . . . . . 46 I MD . 27726 1 178 . 1 1 46 46 ILE CA C 13 58.31 . . 1 . . . . . 46 I CA . 27726 1 179 . 1 1 46 46 ILE CB C 13 37.85 . . 1 . . . . . 46 I CB . 27726 1 180 . 1 1 46 46 ILE CD1 C 13 10.7 . . 1 . . . . . 46 I CD1 . 27726 1 181 . 1 1 46 46 ILE N N 15 114.28 . . 1 . . . . . 46 I N . 27726 1 182 . 1 1 48 48 THR H H 1 9.6 . . 1 . . . . . 48 T H . 27726 1 183 . 1 1 48 48 THR CA C 13 62.61 . . 1 . . . . . 48 T CA . 27726 1 184 . 1 1 48 48 THR CB C 13 68.66 . . 1 . . . . . 48 T CB . 27726 1 185 . 1 1 48 48 THR N N 15 124.38 . . 1 . . . . . 48 T N . 27726 1 186 . 1 1 49 49 ILE H H 1 8.65 . . 1 . . . . . 49 I H . 27726 1 187 . 1 1 49 49 ILE HD11 H 1 0.64 . . 1 . . . . . 49 I MD . 27726 1 188 . 1 1 49 49 ILE HD12 H 1 0.64 . . 1 . . . . . 49 I MD . 27726 1 189 . 1 1 49 49 ILE HD13 H 1 0.64 . . 1 . . . . . 49 I MD . 27726 1 190 . 1 1 49 49 ILE CA C 13 58.99 . . 1 . . . . . 49 I CA . 27726 1 191 . 1 1 49 49 ILE CB C 13 34.11 . . 1 . . . . . 49 I CB . 27726 1 192 . 1 1 49 49 ILE CD1 C 13 7.66 . . 1 . . . . . 49 I CD1 . 27726 1 193 . 1 1 49 49 ILE N N 15 131.79 . . 1 . . . . . 49 I N . 27726 1 194 . 1 1 50 50 GLY H H 1 7.22 . . 1 . . . . . 50 G H . 27726 1 195 . 1 1 50 50 GLY CA C 13 44.85 . . 1 . . . . . 50 G CA . 27726 1 196 . 1 1 50 50 GLY N N 15 111.52 . . 1 . . . . . 50 G N . 27726 1 197 . 1 1 51 51 PHE H H 1 8.05 . . 1 . . . . . 51 F H . 27726 1 198 . 1 1 51 51 PHE CA C 13 55.12 . . 1 . . . . . 51 F CA . 27726 1 199 . 1 1 51 51 PHE CB C 13 41.56 . . 1 . . . . . 51 F CB . 27726 1 200 . 1 1 51 51 PHE N N 15 121.95 . . 1 . . . . . 51 F N . 27726 1 201 . 1 1 52 52 ASN H H 1 9.54 . . 1 . . . . . 52 N H . 27726 1 202 . 1 1 52 52 ASN CA C 13 51.78 . . 1 . . . . . 52 N CA . 27726 1 203 . 1 1 52 52 ASN CB C 13 41.87 . . 1 . . . . . 52 N CB . 27726 1 204 . 1 1 52 52 ASN N N 15 117.7 . . 1 . . . . . 52 N N . 27726 1 205 . 1 1 53 53 VAL H H 1 8.8 . . 1 . . . . . 53 V H . 27726 1 206 . 1 1 53 53 VAL HG11 H 1 0.5 . . 2 . . . . . 53 V MG1 . 27726 1 207 . 1 1 53 53 VAL HG12 H 1 0.5 . . 2 . . . . . 53 V MG1 . 27726 1 208 . 1 1 53 53 VAL HG13 H 1 0.5 . . 2 . . . . . 53 V MG1 . 27726 1 209 . 1 1 53 53 VAL HG21 H 1 -0.43 . . 2 . . . . . 53 V MG2 . 27726 1 210 . 1 1 53 53 VAL HG22 H 1 -0.43 . . 2 . . . . . 53 V MG2 . 27726 1 211 . 1 1 53 53 VAL HG23 H 1 -0.43 . . 2 . . . . . 53 V MG2 . 27726 1 212 . 1 1 53 53 VAL CA C 13 59.11 . . 1 . . . . . 53 V CA . 27726 1 213 . 1 1 53 53 VAL CB C 13 32.93 . . 1 . . . . . 53 V CB . 27726 1 214 . 1 1 53 53 VAL CG1 C 13 16.11 . . 2 . . . . . 53 V CG1 . 27726 1 215 . 1 1 53 53 VAL CG2 C 13 17.15 . . 2 . . . . . 53 V CG2 . 27726 1 216 . 1 1 53 53 VAL N N 15 121 . . 1 . . . . . 53 V N . 27726 1 217 . 1 1 54 54 GLU H H 1 7.95 . . 1 . . . . . 54 E H . 27726 1 218 . 1 1 54 54 GLU N N 15 121.92 . . 1 . . . . . 54 E N . 27726 1 219 . 1 1 55 55 THR H H 1 9.19 . . 1 . . . . . 55 T H . 27726 1 220 . 1 1 55 55 THR CA C 13 61.17 . . 1 . . . . . 55 T CA . 27726 1 221 . 1 1 55 55 THR CB C 13 69.58 . . 1 . . . . . 55 T CB . 27726 1 222 . 1 1 55 55 THR N N 15 117.84 . . 1 . . . . . 55 T N . 27726 1 223 . 1 1 56 56 VAL H H 1 9.42 . . 1 . . . . . 56 V H . 27726 1 224 . 1 1 56 56 VAL HG11 H 1 0.66 . . 2 . . . . . 56 V MG1 . 27726 1 225 . 1 1 56 56 VAL HG12 H 1 0.66 . . 2 . . . . . 56 V MG1 . 27726 1 226 . 1 1 56 56 VAL HG13 H 1 0.66 . . 2 . . . . . 56 V MG1 . 27726 1 227 . 1 1 56 56 VAL HG21 H 1 0.77 . . 2 . . . . . 56 V MG2 . 27726 1 228 . 1 1 56 56 VAL HG22 H 1 0.77 . . 2 . . . . . 56 V MG2 . 27726 1 229 . 1 1 56 56 VAL HG23 H 1 0.77 . . 2 . . . . . 56 V MG2 . 27726 1 230 . 1 1 56 56 VAL CA C 13 60.03 . . 1 . . . . . 56 V CA . 27726 1 231 . 1 1 56 56 VAL CB C 13 34.1 . . 1 . . . . . 56 V CB . 27726 1 232 . 1 1 56 56 VAL CG1 C 13 17.28 . . 2 . . . . . 56 V CG1 . 27726 1 233 . 1 1 56 56 VAL CG2 C 13 18.04 . . 2 . . . . . 56 V CG2 . 27726 1 234 . 1 1 56 56 VAL N N 15 126.37 . . 1 . . . . . 56 V N . 27726 1 235 . 1 1 57 57 GLU H H 1 8.87 . . 1 . . . . . 57 E H . 27726 1 236 . 1 1 57 57 GLU CA C 13 54.63 . . 1 . . . . . 57 E CA . 27726 1 237 . 1 1 57 57 GLU CB C 13 29.58 . . 1 . . . . . 57 E CB . 27726 1 238 . 1 1 57 57 GLU N N 15 127 . . 1 . . . . . 57 E N . 27726 1 239 . 1 1 58 58 TYR H H 1 9.18 . . 1 . . . . . 58 Y H . 27726 1 240 . 1 1 58 58 TYR CA C 13 57.67 . . 1 . . . . . 58 Y CA . 27726 1 241 . 1 1 58 58 TYR CB C 13 40.33 . . 1 . . . . . 58 Y CB . 27726 1 242 . 1 1 58 58 TYR N N 15 127.21 . . 1 . . . . . 58 Y N . 27726 1 243 . 1 1 59 59 LYS H H 1 8.77 . . 1 . . . . . 59 K H . 27726 1 244 . 1 1 59 59 LYS CA C 13 57.51 . . 1 . . . . . 59 K CA . 27726 1 245 . 1 1 59 59 LYS CB C 13 28.99 . . 1 . . . . . 59 K CB . 27726 1 246 . 1 1 59 59 LYS N N 15 125.42 . . 1 . . . . . 59 K N . 27726 1 247 . 1 1 60 60 ASN H H 1 8.57 . . 1 . . . . . 60 N H . 27726 1 248 . 1 1 60 60 ASN CA C 13 54.04 . . 1 . . . . . 60 N CA . 27726 1 249 . 1 1 60 60 ASN CB C 13 37.14 . . 1 . . . . . 60 N CB . 27726 1 250 . 1 1 60 60 ASN N N 15 111.12 . . 1 . . . . . 60 N N . 27726 1 251 . 1 1 61 61 ILE H H 1 8.07 . . 1 . . . . . 61 I H . 27726 1 252 . 1 1 61 61 ILE HD11 H 1 0.65 . . 1 . . . . . 61 I MD . 27726 1 253 . 1 1 61 61 ILE HD12 H 1 0.65 . . 1 . . . . . 61 I MD . 27726 1 254 . 1 1 61 61 ILE HD13 H 1 0.65 . . 1 . . . . . 61 I MD . 27726 1 255 . 1 1 61 61 ILE CA C 13 59.21 . . 1 . . . . . 61 I CA . 27726 1 256 . 1 1 61 61 ILE CB C 13 38.62 . . 1 . . . . . 61 I CB . 27726 1 257 . 1 1 61 61 ILE CD1 C 13 10.77 . . 1 . . . . . 61 I CD1 . 27726 1 258 . 1 1 61 61 ILE N N 15 120.76 . . 1 . . . . . 61 I N . 27726 1 259 . 1 1 62 62 SER H H 1 8.32 . . 1 . . . . . 62 S H . 27726 1 260 . 1 1 62 62 SER CA C 13 56.42 . . 1 . . . . . 62 S CA . 27726 1 261 . 1 1 62 62 SER CB C 13 62.21 . . 1 . . . . . 62 S CB . 27726 1 262 . 1 1 62 62 SER N N 15 120.22 . . 1 . . . . . 62 S N . 27726 1 263 . 1 1 63 63 PHE H H 1 9.43 . . 1 . . . . . 63 F H . 27726 1 264 . 1 1 63 63 PHE CA C 13 56.73 . . 1 . . . . . 63 F CA . 27726 1 265 . 1 1 63 63 PHE CB C 13 38.6 . . 1 . . . . . 63 F CB . 27726 1 266 . 1 1 63 63 PHE N N 15 128.31 . . 1 . . . . . 63 F N . 27726 1 267 . 1 1 64 64 THR H H 1 8.92 . . 1 . . . . . 64 T H . 27726 1 268 . 1 1 64 64 THR CA C 13 63.02 . . 1 . . . . . 64 T CA . 27726 1 269 . 1 1 64 64 THR CB C 13 68.27 . . 1 . . . . . 64 T CB . 27726 1 270 . 1 1 64 64 THR N N 15 123.21 . . 1 . . . . . 64 T N . 27726 1 271 . 1 1 65 65 VAL H H 1 8.89 . . 1 . . . . . 65 V H . 27726 1 272 . 1 1 65 65 VAL HG11 H 1 0.61 . . 2 . . . . . 65 V MG1 . 27726 1 273 . 1 1 65 65 VAL HG12 H 1 0.61 . . 2 . . . . . 65 V MG1 . 27726 1 274 . 1 1 65 65 VAL HG13 H 1 0.61 . . 2 . . . . . 65 V MG1 . 27726 1 275 . 1 1 65 65 VAL HG21 H 1 0.57 . . 2 . . . . . 65 V MG2 . 27726 1 276 . 1 1 65 65 VAL HG22 H 1 0.57 . . 2 . . . . . 65 V MG2 . 27726 1 277 . 1 1 65 65 VAL HG23 H 1 0.57 . . 2 . . . . . 65 V MG2 . 27726 1 278 . 1 1 65 65 VAL CA C 13 60.73 . . 1 . . . . . 65 V CA . 27726 1 279 . 1 1 65 65 VAL CB C 13 31.83 . . 1 . . . . . 65 V CB . 27726 1 280 . 1 1 65 65 VAL CG1 C 13 19.33 . . 2 . . . . . 65 V CG1 . 27726 1 281 . 1 1 65 65 VAL CG2 C 13 16.71 . . 2 . . . . . 65 V CG2 . 27726 1 282 . 1 1 65 65 VAL N N 15 128.01 . . 1 . . . . . 65 V N . 27726 1 283 . 1 1 66 66 TRP H H 1 8.92 . . 1 . . . . . 66 W H . 27726 1 284 . 1 1 66 66 TRP CA C 13 57.09 . . 1 . . . . . 66 W CA . 27726 1 285 . 1 1 66 66 TRP CB C 13 28.76 . . 1 . . . . . 66 W CB . 27726 1 286 . 1 1 66 66 TRP N N 15 127.53 . . 1 . . . . . 66 W N . 27726 1 287 . 1 1 67 67 ASP H H 1 9.14 . . 1 . . . . . 67 D H . 27726 1 288 . 1 1 67 67 ASP CA C 13 52.13 . . 1 . . . . . 67 D CA . 27726 1 289 . 1 1 67 67 ASP CB C 13 43.73 . . 1 . . . . . 67 D CB . 27726 1 290 . 1 1 67 67 ASP N N 15 125.83 . . 1 . . . . . 67 D N . 27726 1 291 . 1 1 68 68 VAL H H 1 7.34 . . 1 . . . . . 68 V H . 27726 1 292 . 1 1 68 68 VAL HG11 H 1 0.91 . . 2 . . . . . 68 V MG1 . 27726 1 293 . 1 1 68 68 VAL HG12 H 1 0.91 . . 2 . . . . . 68 V MG1 . 27726 1 294 . 1 1 68 68 VAL HG13 H 1 0.91 . . 2 . . . . . 68 V MG1 . 27726 1 295 . 1 1 68 68 VAL HG21 H 1 0.38 . . 2 . . . . . 68 V MG2 . 27726 1 296 . 1 1 68 68 VAL HG22 H 1 0.38 . . 2 . . . . . 68 V MG2 . 27726 1 297 . 1 1 68 68 VAL HG23 H 1 0.38 . . 2 . . . . . 68 V MG2 . 27726 1 298 . 1 1 68 68 VAL CA C 13 59.48 . . 1 . . . . . 68 V CA . 27726 1 299 . 1 1 68 68 VAL CB C 13 32.21 . . 1 . . . . . 68 V CB . 27726 1 300 . 1 1 68 68 VAL CG1 C 13 20.42 . . 2 . . . . . 68 V CG1 . 27726 1 301 . 1 1 68 68 VAL CG2 C 13 17.86 . . 2 . . . . . 68 V CG2 . 27726 1 302 . 1 1 68 68 VAL N N 15 120.13 . . 1 . . . . . 68 V N . 27726 1 303 . 1 1 69 69 GLY H H 1 7.81 . . 1 . . . . . 69 G H . 27726 1 304 . 1 1 69 69 GLY CA C 13 46.81 . . 1 . . . . . 69 G CA . 27726 1 305 . 1 1 69 69 GLY N N 15 105.63 . . 1 . . . . . 69 G N . 27726 1 306 . 1 1 70 70 GLY H H 1 9.81 . . 1 . . . . . 70 G H . 27726 1 307 . 1 1 70 70 GLY CA C 13 44.67 . . 1 . . . . . 70 G CA . 27726 1 308 . 1 1 70 70 GLY N N 15 109.13 . . 1 . . . . . 70 G N . 27726 1 309 . 1 1 71 71 GLN H H 1 8.45 . . 1 . . . . . 71 Q H . 27726 1 310 . 1 1 71 71 GLN CA C 13 57.57 . . 1 . . . . . 71 Q CA . 27726 1 311 . 1 1 71 71 GLN CB C 13 28.27 . . 1 . . . . . 71 Q CB . 27726 1 312 . 1 1 71 71 GLN N N 15 122.77 . . 1 . . . . . 71 Q N . 27726 1 313 . 1 1 72 72 ASP H H 1 9 . . 1 . . . . . 72 D H . 27726 1 314 . 1 1 72 72 ASP CA C 13 58.34 . . 1 . . . . . 72 D CA . 27726 1 315 . 1 1 72 72 ASP CB C 13 39.68 . . 1 . . . . . 72 D CB . 27726 1 316 . 1 1 72 72 ASP N N 15 122.73 . . 1 . . . . . 72 D N . 27726 1 317 . 1 1 73 73 LYS H H 1 8.68 . . 1 . . . . . 73 K H . 27726 1 318 . 1 1 73 73 LYS CA C 13 57.65 . . 1 . . . . . 73 K CA . 27726 1 319 . 1 1 73 73 LYS CB C 13 31.33 . . 1 . . . . . 73 K CB . 27726 1 320 . 1 1 73 73 LYS N N 15 115.77 . . 1 . . . . . 73 K N . 27726 1 321 . 1 1 74 74 ILE H H 1 7.95 . . 1 . . . . . 74 I H . 27726 1 322 . 1 1 74 74 ILE HD11 H 1 0.9 . . 1 . . . . . 74 I MD . 27726 1 323 . 1 1 74 74 ILE HD12 H 1 0.9 . . 1 . . . . . 74 I MD . 27726 1 324 . 1 1 74 74 ILE HD13 H 1 0.9 . . 1 . . . . . 74 I MD . 27726 1 325 . 1 1 74 74 ILE CA C 13 59.38 . . 1 . . . . . 74 I CA . 27726 1 326 . 1 1 74 74 ILE CB C 13 36.15 . . 1 . . . . . 74 I CB . 27726 1 327 . 1 1 74 74 ILE CD1 C 13 8.88 . . 1 . . . . . 74 I CD1 . 27726 1 328 . 1 1 74 74 ILE N N 15 114.78 . . 1 . . . . . 74 I N . 27726 1 329 . 1 1 77 77 LEU H H 1 7.84 . . 1 . . . . . 77 L H . 27726 1 330 . 1 1 77 77 LEU HD11 H 1 1.02 . . 2 . . . . . 77 L MD1 . 27726 1 331 . 1 1 77 77 LEU HD12 H 1 1.02 . . 2 . . . . . 77 L MD1 . 27726 1 332 . 1 1 77 77 LEU HD13 H 1 1.02 . . 2 . . . . . 77 L MD1 . 27726 1 333 . 1 1 77 77 LEU HD21 H 1 0.85 . . 2 . . . . . 77 L MD2 . 27726 1 334 . 1 1 77 77 LEU HD22 H 1 0.85 . . 2 . . . . . 77 L MD2 . 27726 1 335 . 1 1 77 77 LEU HD23 H 1 0.85 . . 2 . . . . . 77 L MD2 . 27726 1 336 . 1 1 77 77 LEU CA C 13 55.02 . . 1 . . . . . 77 L CA . 27726 1 337 . 1 1 77 77 LEU CB C 13 39.75 . . 1 . . . . . 77 L CB . 27726 1 338 . 1 1 77 77 LEU CD1 C 13 22.24 . . 2 . . . . . 77 L CD1 . 27726 1 339 . 1 1 77 77 LEU CD2 C 13 19.97 . . 2 . . . . . 77 L CD2 . 27726 1 340 . 1 1 77 77 LEU N N 15 113.96 . . 1 . . . . . 77 L N . 27726 1 341 . 1 1 78 78 TRP H H 1 8.21 . . 1 . . . . . 78 W H . 27726 1 342 . 1 1 78 78 TRP CA C 13 58.74 . . 1 . . . . . 78 W CA . 27726 1 343 . 1 1 78 78 TRP CB C 13 28.19 . . 1 . . . . . 78 W CB . 27726 1 344 . 1 1 78 78 TRP N N 15 118.72 . . 1 . . . . . 78 W N . 27726 1 345 . 1 1 79 79 ARG H H 1 6.97 . . 1 . . . . . 79 R H . 27726 1 346 . 1 1 79 79 ARG CA C 13 55.79 . . 1 . . . . . 79 R CA . 27726 1 347 . 1 1 79 79 ARG CB C 13 28.28 . . 1 . . . . . 79 R CB . 27726 1 348 . 1 1 79 79 ARG N N 15 110.48 . . 1 . . . . . 79 R N . 27726 1 349 . 1 1 80 80 HIS H H 1 7.54 . . 1 . . . . . 80 H H . 27726 1 350 . 1 1 80 80 HIS CA C 13 56.6 . . 1 . . . . . 80 H CA . 27726 1 351 . 1 1 80 80 HIS CB C 13 28.72 . . 1 . . . . . 80 H CB . 27726 1 352 . 1 1 80 80 HIS N N 15 119.16 . . 1 . . . . . 80 H N . 27726 1 353 . 1 1 81 81 TYR H H 1 7.69 . . 1 . . . . . 81 Y H . 27726 1 354 . 1 1 81 81 TYR CA C 13 56.93 . . 1 . . . . . 81 Y CA . 27726 1 355 . 1 1 81 81 TYR CB C 13 38.64 . . 1 . . . . . 81 Y CB . 27726 1 356 . 1 1 81 81 TYR N N 15 115.52 . . 1 . . . . . 81 Y N . 27726 1 357 . 1 1 82 82 PHE H H 1 7.02 . . 1 . . . . . 82 F H . 27726 1 358 . 1 1 82 82 PHE CA C 13 56.21 . . 1 . . . . . 82 F CA . 27726 1 359 . 1 1 82 82 PHE CB C 13 36.9 . . 1 . . . . . 82 F CB . 27726 1 360 . 1 1 82 82 PHE N N 15 117.6 . . 1 . . . . . 82 F N . 27726 1 361 . 1 1 83 83 GLN H H 1 8.29 . . 1 . . . . . 83 Q H . 27726 1 362 . 1 1 83 83 GLN CA C 13 57.49 . . 1 . . . . . 83 Q CA . 27726 1 363 . 1 1 83 83 GLN CB C 13 27.4 . . 1 . . . . . 83 Q CB . 27726 1 364 . 1 1 83 83 GLN N N 15 118.74 . . 1 . . . . . 83 Q N . 27726 1 365 . 1 1 84 84 ASN H H 1 8.92 . . 1 . . . . . 84 N H . 27726 1 366 . 1 1 84 84 ASN CA C 13 54.21 . . 1 . . . . . 84 N CA . 27726 1 367 . 1 1 84 84 ASN CB C 13 36.77 . . 1 . . . . . 84 N CB . 27726 1 368 . 1 1 84 84 ASN N N 15 116.71 . . 1 . . . . . 84 N N . 27726 1 369 . 1 1 85 85 THR H H 1 7.96 . . 1 . . . . . 85 T H . 27726 1 370 . 1 1 85 85 THR CA C 13 65.12 . . 1 . . . . . 85 T CA . 27726 1 371 . 1 1 85 85 THR CB C 13 68.41 . . 1 . . . . . 85 T CB . 27726 1 372 . 1 1 85 85 THR N N 15 117.03 . . 1 . . . . . 85 T N . 27726 1 373 . 1 1 86 86 GLN H H 1 8.56 . . 1 . . . . . 86 Q H . 27726 1 374 . 1 1 86 86 GLN CA C 13 57.02 . . 1 . . . . . 86 Q CA . 27726 1 375 . 1 1 86 86 GLN CB C 13 31 . . 1 . . . . . 86 Q CB . 27726 1 376 . 1 1 86 86 GLN N N 15 125.33 . . 1 . . . . . 86 Q N . 27726 1 377 . 1 1 87 87 GLY H H 1 7.99 . . 1 . . . . . 87 G H . 27726 1 378 . 1 1 87 87 GLY CA C 13 44.12 . . 1 . . . . . 87 G CA . 27726 1 379 . 1 1 87 87 GLY N N 15 105.43 . . 1 . . . . . 87 G N . 27726 1 380 . 1 1 88 88 LEU HD11 H 1 0.74 . . 2 . . . . . 88 L MD1 . 27726 1 381 . 1 1 88 88 LEU HD12 H 1 0.74 . . 2 . . . . . 88 L MD1 . 27726 1 382 . 1 1 88 88 LEU HD13 H 1 0.74 . . 2 . . . . . 88 L MD1 . 27726 1 383 . 1 1 88 88 LEU HD21 H 1 0.76 . . 2 . . . . . 88 L MD2 . 27726 1 384 . 1 1 88 88 LEU HD22 H 1 0.76 . . 2 . . . . . 88 L MD2 . 27726 1 385 . 1 1 88 88 LEU HD23 H 1 0.76 . . 2 . . . . . 88 L MD2 . 27726 1 386 . 1 1 88 88 LEU CD1 C 13 22.46 . . 2 . . . . . 88 L CD1 . 27726 1 387 . 1 1 88 88 LEU CD2 C 13 22.47 . . 2 . . . . . 88 L CD2 . 27726 1 388 . 1 1 89 89 ILE HD11 H 1 0.37 . . 1 . . . . . 89 I MD . 27726 1 389 . 1 1 89 89 ILE HD12 H 1 0.37 . . 1 . . . . . 89 I MD . 27726 1 390 . 1 1 89 89 ILE HD13 H 1 0.37 . . 1 . . . . . 89 I MD . 27726 1 391 . 1 1 89 89 ILE CD1 C 13 9.86 . . 1 . . . . . 89 I CD1 . 27726 1 392 . 1 1 91 91 VAL HG11 H 1 0.92 . . 2 . . . . . 91 V MG1 . 27726 1 393 . 1 1 91 91 VAL HG12 H 1 0.92 . . 2 . . . . . 91 V MG1 . 27726 1 394 . 1 1 91 91 VAL HG13 H 1 0.92 . . 2 . . . . . 91 V MG1 . 27726 1 395 . 1 1 91 91 VAL HG21 H 1 0.56 . . 2 . . . . . 91 V MG2 . 27726 1 396 . 1 1 91 91 VAL HG22 H 1 0.56 . . 2 . . . . . 91 V MG2 . 27726 1 397 . 1 1 91 91 VAL HG23 H 1 0.56 . . 2 . . . . . 91 V MG2 . 27726 1 398 . 1 1 91 91 VAL CG1 C 13 21.12 . . 2 . . . . . 91 V CG1 . 27726 1 399 . 1 1 91 91 VAL CG2 C 13 19.29 . . 2 . . . . . 91 V CG2 . 27726 1 400 . 1 1 92 92 VAL H H 1 8.92 . . 1 . . . . . 92 V H . 27726 1 401 . 1 1 92 92 VAL HG11 H 1 0.77 . . 2 . . . . . 92 V MG1 . 27726 1 402 . 1 1 92 92 VAL HG12 H 1 0.77 . . 2 . . . . . 92 V MG1 . 27726 1 403 . 1 1 92 92 VAL HG13 H 1 0.77 . . 2 . . . . . 92 V MG1 . 27726 1 404 . 1 1 92 92 VAL HG21 H 1 0.9 . . 2 . . . . . 92 V MG2 . 27726 1 405 . 1 1 92 92 VAL HG22 H 1 0.9 . . 2 . . . . . 92 V MG2 . 27726 1 406 . 1 1 92 92 VAL HG23 H 1 0.9 . . 2 . . . . . 92 V MG2 . 27726 1 407 . 1 1 92 92 VAL CG1 C 13 17.98 . . 2 . . . . . 92 V CG1 . 27726 1 408 . 1 1 92 92 VAL CG2 C 13 19.32 . . 2 . . . . . 92 V CG2 . 27726 1 409 . 1 1 92 92 VAL N N 15 123.88 . . 1 . . . . . 92 V N . 27726 1 410 . 1 1 93 93 ASP H H 1 9.24 . . 1 . . . . . 93 D H . 27726 1 411 . 1 1 93 93 ASP CA C 13 52.95 . . 1 . . . . . 93 D CA . 27726 1 412 . 1 1 93 93 ASP CB C 13 40.19 . . 1 . . . . . 93 D CB . 27726 1 413 . 1 1 93 93 ASP N N 15 124.41 . . 1 . . . . . 93 D N . 27726 1 414 . 1 1 94 94 SER H H 1 8.45 . . 1 . . . . . 94 S H . 27726 1 415 . 1 1 94 94 SER N N 15 123.7 . . 1 . . . . . 94 S N . 27726 1 416 . 1 1 95 95 ASN H H 1 9.02 . . 1 . . . . . 95 N H . 27726 1 417 . 1 1 95 95 ASN CA C 13 52.73 . . 1 . . . . . 95 N CA . 27726 1 418 . 1 1 95 95 ASN CB C 13 41.32 . . 1 . . . . . 95 N CB . 27726 1 419 . 1 1 95 95 ASN N N 15 117.6 . . 1 . . . . . 95 N N . 27726 1 420 . 1 1 96 96 ASP H H 1 7.04 . . 1 . . . . . 96 D H . 27726 1 421 . 1 1 96 96 ASP CA C 13 51.06 . . 1 . . . . . 96 D CA . 27726 1 422 . 1 1 96 96 ASP CB C 13 38.38 . . 1 . . . . . 96 D CB . 27726 1 423 . 1 1 96 96 ASP N N 15 119.78 . . 1 . . . . . 96 D N . 27726 1 424 . 1 1 97 97 ARG H H 1 8 . . 1 . . . . . 97 R H . 27726 1 425 . 1 1 97 97 ARG CA C 13 58.84 . . 1 . . . . . 97 R CA . 27726 1 426 . 1 1 97 97 ARG CB C 13 28.99 . . 1 . . . . . 97 R CB . 27726 1 427 . 1 1 97 97 ARG N N 15 123.94 . . 1 . . . . . 97 R N . 27726 1 428 . 1 1 98 98 GLU H H 1 8.58 . . 1 . . . . . 98 E H . 27726 1 429 . 1 1 98 98 GLU CA C 13 58.35 . . 1 . . . . . 98 E CA . 27726 1 430 . 1 1 98 98 GLU CB C 13 28.66 . . 1 . . . . . 98 E CB . 27726 1 431 . 1 1 98 98 GLU N N 15 117.86 . . 1 . . . . . 98 E N . 27726 1 432 . 1 1 99 99 ARG H H 1 7.23 . . 1 . . . . . 99 R H . 27726 1 433 . 1 1 99 99 ARG CA C 13 55.88 . . 1 . . . . . 99 R CA . 27726 1 434 . 1 1 99 99 ARG CB C 13 29.96 . . 1 . . . . . 99 R CB . 27726 1 435 . 1 1 99 99 ARG N N 15 113.49 . . 1 . . . . . 99 R N . 27726 1 436 . 1 1 100 100 VAL H H 1 7.15 . . 1 . . . . . 100 V H . 27726 1 437 . 1 1 100 100 VAL HG11 H 1 0.88 . . 2 . . . . . 100 V MG1 . 27726 1 438 . 1 1 100 100 VAL HG12 H 1 0.88 . . 2 . . . . . 100 V MG1 . 27726 1 439 . 1 1 100 100 VAL HG13 H 1 0.88 . . 2 . . . . . 100 V MG1 . 27726 1 440 . 1 1 100 100 VAL HG21 H 1 0.9 . . 2 . . . . . 100 V MG2 . 27726 1 441 . 1 1 100 100 VAL HG22 H 1 0.9 . . 2 . . . . . 100 V MG2 . 27726 1 442 . 1 1 100 100 VAL HG23 H 1 0.9 . . 2 . . . . . 100 V MG2 . 27726 1 443 . 1 1 100 100 VAL CG1 C 13 19.84 . . 2 . . . . . 100 V CG1 . 27726 1 444 . 1 1 100 100 VAL CG2 C 13 17.87 . . 2 . . . . . 100 V CG2 . 27726 1 445 . 1 1 100 100 VAL N N 15 121.84 . . 1 . . . . . 100 V N . 27726 1 446 . 1 1 101 101 ASN H H 1 8.46 . . 1 . . . . . 101 N H . 27726 1 447 . 1 1 101 101 ASN CA C 13 55.97 . . 1 . . . . . 101 N CA . 27726 1 448 . 1 1 101 101 ASN CB C 13 36.97 . . 1 . . . . . 101 N CB . 27726 1 449 . 1 1 101 101 ASN N N 15 119.23 . . 1 . . . . . 101 N N . 27726 1 450 . 1 1 102 102 GLU H H 1 7.61 . . 1 . . . . . 102 E H . 27726 1 451 . 1 1 102 102 GLU CA C 13 58.58 . . 1 . . . . . 102 E CA . 27726 1 452 . 1 1 102 102 GLU CB C 13 28.26 . . 1 . . . . . 102 E CB . 27726 1 453 . 1 1 102 102 GLU N N 15 123.56 . . 1 . . . . . 102 E N . 27726 1 454 . 1 1 103 103 ALA H H 1 8.06 . . 1 . . . . . 103 A H . 27726 1 455 . 1 1 103 103 ALA CA C 13 55.48 . . 1 . . . . . 103 A CA . 27726 1 456 . 1 1 103 103 ALA CB C 13 16.53 . . 1 . . . . . 103 A CB . 27726 1 457 . 1 1 103 103 ALA N N 15 121.66 . . 1 . . . . . 103 A N . 27726 1 458 . 1 1 104 104 ARG H H 1 8.23 . . 1 . . . . . 104 R H . 27726 1 459 . 1 1 104 104 ARG CA C 13 59.71 . . 1 . . . . . 104 R CA . 27726 1 460 . 1 1 104 104 ARG CB C 13 16.52 . . 1 . . . . . 104 R CB . 27726 1 461 . 1 1 104 104 ARG N N 15 117.15 . . 1 . . . . . 104 R N . 27726 1 462 . 1 1 105 105 GLU H H 1 8.24 . . 1 . . . . . 105 E H . 27726 1 463 . 1 1 105 105 GLU CA C 13 59.12 . . 1 . . . . . 105 E CA . 27726 1 464 . 1 1 105 105 GLU CB C 13 28.39 . . 1 . . . . . 105 E CB . 27726 1 465 . 1 1 105 105 GLU N N 15 117.85 . . 1 . . . . . 105 E N . 27726 1 466 . 1 1 106 106 GLU H H 1 8.17 . . 1 . . . . . 106 E H . 27726 1 467 . 1 1 106 106 GLU CA C 13 57.77 . . 1 . . . . . 106 E CA . 27726 1 468 . 1 1 106 106 GLU CB C 13 28.05 . . 1 . . . . . 106 E CB . 27726 1 469 . 1 1 106 106 GLU N N 15 117.05 . . 1 . . . . . 106 E N . 27726 1 470 . 1 1 107 107 LEU HD11 H 1 0.15 . . 2 . . . . . 107 L MD1 . 27726 1 471 . 1 1 107 107 LEU HD12 H 1 0.15 . . 2 . . . . . 107 L MD1 . 27726 1 472 . 1 1 107 107 LEU HD13 H 1 0.15 . . 2 . . . . . 107 L MD1 . 27726 1 473 . 1 1 107 107 LEU HD21 H 1 0.23 . . 2 . . . . . 107 L MD2 . 27726 1 474 . 1 1 107 107 LEU HD22 H 1 0.23 . . 2 . . . . . 107 L MD2 . 27726 1 475 . 1 1 107 107 LEU HD23 H 1 0.23 . . 2 . . . . . 107 L MD2 . 27726 1 476 . 1 1 107 107 LEU CD1 C 13 19.16 . . 2 . . . . . 107 L CD1 . 27726 1 477 . 1 1 107 107 LEU CD2 C 13 23 . . 2 . . . . . 107 L CD2 . 27726 1 478 . 1 1 108 108 MET H H 1 8.7 . . 1 . . . . . 108 M H . 27726 1 479 . 1 1 108 108 MET CA C 13 56.68 . . 1 . . . . . 108 M CA . 27726 1 480 . 1 1 108 108 MET CB C 13 29.99 . . 1 . . . . . 108 M CB . 27726 1 481 . 1 1 108 108 MET N N 15 114.82 . . 1 . . . . . 108 M N . 27726 1 482 . 1 1 109 109 ARG H H 1 7.88 . . 1 . . . . . 109 R H . 27726 1 483 . 1 1 109 109 ARG CA C 13 59.15 . . 1 . . . . . 109 R CA . 27726 1 484 . 1 1 109 109 ARG CB C 13 25.12 . . 1 . . . . . 109 R CB . 27726 1 485 . 1 1 109 109 ARG N N 15 119.36 . . 1 . . . . . 109 R N . 27726 1 486 . 1 1 110 110 MET H H 1 7.65 . . 1 . . . . . 110 M H . 27726 1 487 . 1 1 110 110 MET CA C 13 58.6 . . 1 . . . . . 110 M CA . 27726 1 488 . 1 1 110 110 MET CB C 13 32.15 . . 1 . . . . . 110 M CB . 27726 1 489 . 1 1 110 110 MET N N 15 118.65 . . 1 . . . . . 110 M N . 27726 1 490 . 1 1 111 111 LEU H H 1 7.89 . . 1 . . . . . 111 L H . 27726 1 491 . 1 1 111 111 LEU HD11 H 1 0.44 . . 2 . . . . . 111 L MD1 . 27726 1 492 . 1 1 111 111 LEU HD12 H 1 0.44 . . 2 . . . . . 111 L MD1 . 27726 1 493 . 1 1 111 111 LEU HD13 H 1 0.44 . . 2 . . . . . 111 L MD1 . 27726 1 494 . 1 1 111 111 LEU HD21 H 1 0.56 . . 2 . . . . . 111 L MD2 . 27726 1 495 . 1 1 111 111 LEU HD22 H 1 0.56 . . 2 . . . . . 111 L MD2 . 27726 1 496 . 1 1 111 111 LEU HD23 H 1 0.56 . . 2 . . . . . 111 L MD2 . 27726 1 497 . 1 1 111 111 LEU CD1 C 13 17.54 . . 2 . . . . . 111 L CD1 . 27726 1 498 . 1 1 111 111 LEU CD2 C 13 24.1 . . 2 . . . . . 111 L CD2 . 27726 1 499 . 1 1 111 111 LEU N N 15 114.54 . . 1 . . . . . 111 L N . 27726 1 500 . 1 1 112 112 ALA H H 1 7.1 . . 1 . . . . . 112 A H . 27726 1 501 . 1 1 112 112 ALA CA C 13 51.75 . . 1 . . . . . 112 A CA . 27726 1 502 . 1 1 112 112 ALA CB C 13 18.09 . . 1 . . . . . 112 A CB . 27726 1 503 . 1 1 112 112 ALA N N 15 120.25 . . 1 . . . . . 112 A N . 27726 1 504 . 1 1 113 113 GLU H H 1 7.44 . . 1 . . . . . 113 E H . 27726 1 505 . 1 1 113 113 GLU CA C 13 55.98 . . 1 . . . . . 113 E CA . 27726 1 506 . 1 1 113 113 GLU CB C 13 27.5 . . 1 . . . . . 113 E CB . 27726 1 507 . 1 1 113 113 GLU N N 15 118.27 . . 1 . . . . . 113 E N . 27726 1 508 . 1 1 114 114 ASP H H 1 9.33 . . 1 . . . . . 114 D H . 27726 1 509 . 1 1 114 114 ASP N N 15 128.8 . . 1 . . . . . 114 D N . 27726 1 510 . 1 1 115 115 GLU H H 1 9.36 . . 1 . . . . . 115 E H . 27726 1 511 . 1 1 115 115 GLU CA C 13 58.43 . . 1 . . . . . 115 E CA . 27726 1 512 . 1 1 115 115 GLU CB C 13 29.98 . . 1 . . . . . 115 E CB . 27726 1 513 . 1 1 115 115 GLU N N 15 116.72 . . 1 . . . . . 115 E N . 27726 1 514 . 1 1 116 116 LEU H H 1 7.24 . . 1 . . . . . 116 L H . 27726 1 515 . 1 1 116 116 LEU HD11 H 1 0.52 . . 2 . . . . . 116 L MD1 . 27726 1 516 . 1 1 116 116 LEU HD12 H 1 0.52 . . 2 . . . . . 116 L MD1 . 27726 1 517 . 1 1 116 116 LEU HD13 H 1 0.52 . . 2 . . . . . 116 L MD1 . 27726 1 518 . 1 1 116 116 LEU HD21 H 1 0.01 . . 2 . . . . . 116 L MD2 . 27726 1 519 . 1 1 116 116 LEU HD22 H 1 0.01 . . 2 . . . . . 116 L MD2 . 27726 1 520 . 1 1 116 116 LEU HD23 H 1 0.01 . . 2 . . . . . 116 L MD2 . 27726 1 521 . 1 1 116 116 LEU CA C 13 52.75 . . 1 . . . . . 116 L CA . 27726 1 522 . 1 1 116 116 LEU CB C 13 41.38 . . 1 . . . . . 116 L CB . 27726 1 523 . 1 1 116 116 LEU CD1 C 13 20.13 . . 2 . . . . . 116 L CD1 . 27726 1 524 . 1 1 116 116 LEU CD2 C 13 22.37 . . 2 . . . . . 116 L CD2 . 27726 1 525 . 1 1 116 116 LEU N N 15 114.28 . . 1 . . . . . 116 L N . 27726 1 526 . 1 1 117 117 ARG H H 1 7.54 . . 1 . . . . . 117 R H . 27726 1 527 . 1 1 117 117 ARG CA C 13 59.75 . . 1 . . . . . 117 R CA . 27726 1 528 . 1 1 117 117 ARG CB C 13 29.33 . . 1 . . . . . 117 R CB . 27726 1 529 . 1 1 117 117 ARG N N 15 122.84 . . 1 . . . . . 117 R N . 27726 1 530 . 1 1 118 118 ASP H H 1 8.58 . . 1 . . . . . 118 D H . 27726 1 531 . 1 1 118 118 ASP CA C 13 53.74 . . 1 . . . . . 118 D CA . 27726 1 532 . 1 1 118 118 ASP CB C 13 41.01 . . 1 . . . . . 118 D CB . 27726 1 533 . 1 1 118 118 ASP N N 15 114.86 . . 1 . . . . . 118 D N . 27726 1 534 . 1 1 119 119 ALA H H 1 7.32 . . 1 . . . . . 119 A H . 27726 1 535 . 1 1 119 119 ALA N N 15 122.5 . . 1 . . . . . 119 A N . 27726 1 536 . 1 1 120 120 VAL H H 1 7.54 . . 1 . . . . . 120 V H . 27726 1 537 . 1 1 120 120 VAL HG11 H 1 1.03 . . 2 . . . . . 120 V MG1 . 27726 1 538 . 1 1 120 120 VAL HG12 H 1 1.03 . . 2 . . . . . 120 V MG1 . 27726 1 539 . 1 1 120 120 VAL HG13 H 1 1.03 . . 2 . . . . . 120 V MG1 . 27726 1 540 . 1 1 120 120 VAL HG21 H 1 0.85 . . 2 . . . . . 120 V MG2 . 27726 1 541 . 1 1 120 120 VAL HG22 H 1 0.85 . . 2 . . . . . 120 V MG2 . 27726 1 542 . 1 1 120 120 VAL HG23 H 1 0.85 . . 2 . . . . . 120 V MG2 . 27726 1 543 . 1 1 120 120 VAL CA C 13 60.9 . . 1 . . . . . 120 V CA . 27726 1 544 . 1 1 120 120 VAL CB C 13 30.99 . . 1 . . . . . 120 V CB . 27726 1 545 . 1 1 120 120 VAL CG1 C 13 20.02 . . 2 . . . . . 120 V CG1 . 27726 1 546 . 1 1 120 120 VAL CG2 C 13 16.99 . . 2 . . . . . 120 V CG2 . 27726 1 547 . 1 1 120 120 VAL N N 15 117.43 . . 1 . . . . . 120 V N . 27726 1 548 . 1 1 121 121 LEU H H 1 8.6 . . 1 . . . . . 121 L H . 27726 1 549 . 1 1 121 121 LEU HD11 H 1 0.54 . . 2 . . . . . 121 L MD1 . 27726 1 550 . 1 1 121 121 LEU HD12 H 1 0.54 . . 2 . . . . . 121 L MD1 . 27726 1 551 . 1 1 121 121 LEU HD13 H 1 0.54 . . 2 . . . . . 121 L MD1 . 27726 1 552 . 1 1 121 121 LEU HD21 H 1 0.7 . . 2 . . . . . 121 L MD2 . 27726 1 553 . 1 1 121 121 LEU HD22 H 1 0.7 . . 2 . . . . . 121 L MD2 . 27726 1 554 . 1 1 121 121 LEU HD23 H 1 0.7 . . 2 . . . . . 121 L MD2 . 27726 1 555 . 1 1 121 121 LEU CA C 13 53.46 . . 1 . . . . . 121 L CA . 27726 1 556 . 1 1 121 121 LEU CB C 13 44.57 . . 1 . . . . . 121 L CB . 27726 1 557 . 1 1 121 121 LEU CD1 C 13 23.83 . . 2 . . . . . 121 L CD1 . 27726 1 558 . 1 1 121 121 LEU CD2 C 13 20.87 . . 2 . . . . . 121 L CD2 . 27726 1 559 . 1 1 121 121 LEU N N 15 124.18 . . 1 . . . . . 121 L N . 27726 1 560 . 1 1 122 122 LEU HD11 H 1 0.65 . . 2 . . . . . 122 L MD1 . 27726 1 561 . 1 1 122 122 LEU HD12 H 1 0.65 . . 2 . . . . . 122 L MD1 . 27726 1 562 . 1 1 122 122 LEU HD13 H 1 0.65 . . 2 . . . . . 122 L MD1 . 27726 1 563 . 1 1 122 122 LEU HD21 H 1 0.26 . . 2 . . . . . 122 L MD2 . 27726 1 564 . 1 1 122 122 LEU HD22 H 1 0.26 . . 2 . . . . . 122 L MD2 . 27726 1 565 . 1 1 122 122 LEU HD23 H 1 0.26 . . 2 . . . . . 122 L MD2 . 27726 1 566 . 1 1 122 122 LEU CD1 C 13 20.73 . . 2 . . . . . 122 L CD1 . 27726 1 567 . 1 1 122 122 LEU CD2 C 13 23.43 . . 2 . . . . . 122 L CD2 . 27726 1 568 . 1 1 123 123 VAL HG11 H 1 0.75 . . 2 . . . . . 123 V MG1 . 27726 1 569 . 1 1 123 123 VAL HG12 H 1 0.75 . . 2 . . . . . 123 V MG1 . 27726 1 570 . 1 1 123 123 VAL HG13 H 1 0.75 . . 2 . . . . . 123 V MG1 . 27726 1 571 . 1 1 123 123 VAL HG21 H 1 0.77 . . 2 . . . . . 123 V MG2 . 27726 1 572 . 1 1 123 123 VAL HG22 H 1 0.77 . . 2 . . . . . 123 V MG2 . 27726 1 573 . 1 1 123 123 VAL HG23 H 1 0.77 . . 2 . . . . . 123 V MG2 . 27726 1 574 . 1 1 123 123 VAL CG1 C 13 17.68 . . 2 . . . . . 123 V CG1 . 27726 1 575 . 1 1 123 123 VAL CG2 C 13 18.21 . . 2 . . . . . 123 V CG2 . 27726 1 576 . 1 1 130 130 LEU HD11 H 1 0.7 . . 2 . . . . . 130 L MD1 . 27726 1 577 . 1 1 130 130 LEU HD12 H 1 0.7 . . 2 . . . . . 130 L MD1 . 27726 1 578 . 1 1 130 130 LEU HD13 H 1 0.7 . . 2 . . . . . 130 L MD1 . 27726 1 579 . 1 1 130 130 LEU HD21 H 1 0.76 . . 2 . . . . . 130 L MD2 . 27726 1 580 . 1 1 130 130 LEU HD22 H 1 0.76 . . 2 . . . . . 130 L MD2 . 27726 1 581 . 1 1 130 130 LEU HD23 H 1 0.76 . . 2 . . . . . 130 L MD2 . 27726 1 582 . 1 1 130 130 LEU CD1 C 13 20.58 . . 2 . . . . . 130 L CD1 . 27726 1 583 . 1 1 130 130 LEU CD2 C 13 22.08 . . 2 . . . . . 130 L CD2 . 27726 1 584 . 1 1 132 132 ASN H H 1 8.55 . . 1 . . . . . 132 N H . 27726 1 585 . 1 1 132 132 ASN CA C 13 52 . . 1 . . . . . 132 N CA . 27726 1 586 . 1 1 132 132 ASN CB C 13 37.88 . . 1 . . . . . 132 N CB . 27726 1 587 . 1 1 132 132 ASN N N 15 115.13 . . 1 . . . . . 132 N N . 27726 1 588 . 1 1 133 133 ALA H H 1 7.36 . . 1 . . . . . 133 A H . 27726 1 589 . 1 1 133 133 ALA CA C 13 52.79 . . 1 . . . . . 133 A CA . 27726 1 590 . 1 1 133 133 ALA CB C 13 17.51 . . 1 . . . . . 133 A CB . 27726 1 591 . 1 1 133 133 ALA N N 15 121.59 . . 1 . . . . . 133 A N . 27726 1 592 . 1 1 134 134 MET H H 1 8.26 . . 1 . . . . . 134 M H . 27726 1 593 . 1 1 134 134 MET CA C 13 55.98 . . 1 . . . . . 134 M CA . 27726 1 594 . 1 1 134 134 MET CB C 13 34.8 . . 1 . . . . . 134 M CB . 27726 1 595 . 1 1 134 134 MET N N 15 122.8 . . 1 . . . . . 134 M N . 27726 1 596 . 1 1 135 135 ASN H H 1 8.77 . . 1 . . . . . 135 N H . 27726 1 597 . 1 1 135 135 ASN CA C 13 50.96 . . 1 . . . . . 135 N CA . 27726 1 598 . 1 1 135 135 ASN CB C 13 38.33 . . 1 . . . . . 135 N CB . 27726 1 599 . 1 1 135 135 ASN N N 15 118.33 . . 1 . . . . . 135 N N . 27726 1 600 . 1 1 136 136 ALA H H 1 8.93 . . 1 . . . . . 136 A H . 27726 1 601 . 1 1 136 136 ALA CA C 13 55.25 . . 1 . . . . . 136 A CA . 27726 1 602 . 1 1 136 136 ALA CB C 13 17.06 . . 1 . . . . . 136 A CB . 27726 1 603 . 1 1 136 136 ALA N N 15 119.04 . . 1 . . . . . 136 A N . 27726 1 604 . 1 1 137 137 ALA H H 1 8.46 . . 1 . . . . . 137 A H . 27726 1 605 . 1 1 137 137 ALA CA C 13 55.32 . . 1 . . . . . 137 A CA . 27726 1 606 . 1 1 137 137 ALA CB C 13 16.84 . . 1 . . . . . 137 A CB . 27726 1 607 . 1 1 137 137 ALA N N 15 124.04 . . 1 . . . . . 137 A N . 27726 1 608 . 1 1 138 138 GLU H H 1 8.39 . . 1 . . . . . 138 E H . 27726 1 609 . 1 1 138 138 GLU CA C 13 58.73 . . 1 . . . . . 138 E CA . 27726 1 610 . 1 1 138 138 GLU CB C 13 28.78 . . 1 . . . . . 138 E CB . 27726 1 611 . 1 1 138 138 GLU N N 15 121.43 . . 1 . . . . . 138 E N . 27726 1 612 . 1 1 139 139 ILE H H 1 8.33 . . 1 . . . . . 139 I H . 27726 1 613 . 1 1 139 139 ILE HD11 H 1 0.65 . . 1 . . . . . 139 I MD . 27726 1 614 . 1 1 139 139 ILE HD12 H 1 0.65 . . 1 . . . . . 139 I MD . 27726 1 615 . 1 1 139 139 ILE HD13 H 1 0.65 . . 1 . . . . . 139 I MD . 27726 1 616 . 1 1 139 139 ILE CA C 13 63.82 . . 1 . . . . . 139 I CA . 27726 1 617 . 1 1 139 139 ILE CB C 13 35.58 . . 1 . . . . . 139 I CB . 27726 1 618 . 1 1 139 139 ILE CD1 C 13 10.05 . . 1 . . . . . 139 I CD1 . 27726 1 619 . 1 1 139 139 ILE N N 15 119.12 . . 1 . . . . . 139 I N . 27726 1 620 . 1 1 140 140 THR H H 1 8.24 . . 1 . . . . . 140 T H . 27726 1 621 . 1 1 140 140 THR CA C 13 67.36 . . 1 . . . . . 140 T CA . 27726 1 622 . 1 1 140 140 THR CB C 13 35.63 . . 1 . . . . . 140 T CB . 27726 1 623 . 1 1 140 140 THR N N 15 117.12 . . 1 . . . . . 140 T N . 27726 1 624 . 1 1 141 141 ASP H H 1 7.41 . . 1 . . . . . 141 D H . 27726 1 625 . 1 1 141 141 ASP CA C 13 57.07 . . 1 . . . . . 141 D CA . 27726 1 626 . 1 1 141 141 ASP CB C 13 40.89 . . 1 . . . . . 141 D CB . 27726 1 627 . 1 1 141 141 ASP N N 15 120.28 . . 1 . . . . . 141 D N . 27726 1 628 . 1 1 142 142 LYS H H 1 8.53 . . 1 . . . . . 142 K H . 27726 1 629 . 1 1 142 142 LYS CA C 13 58.27 . . 1 . . . . . 142 K CA . 27726 1 630 . 1 1 142 142 LYS CB C 13 32.19 . . 1 . . . . . 142 K CB . 27726 1 631 . 1 1 142 142 LYS N N 15 118.64 . . 1 . . . . . 142 K N . 27726 1 632 . 1 1 143 143 LEU H H 1 8.41 . . 1 . . . . . 143 L H . 27726 1 633 . 1 1 143 143 LEU HD11 H 1 0.57 . . 2 . . . . . 143 L MD1 . 27726 1 634 . 1 1 143 143 LEU HD12 H 1 0.57 . . 2 . . . . . 143 L MD1 . 27726 1 635 . 1 1 143 143 LEU HD13 H 1 0.57 . . 2 . . . . . 143 L MD1 . 27726 1 636 . 1 1 143 143 LEU HD21 H 1 0.55 . . 2 . . . . . 143 L MD2 . 27726 1 637 . 1 1 143 143 LEU HD22 H 1 0.55 . . 2 . . . . . 143 L MD2 . 27726 1 638 . 1 1 143 143 LEU HD23 H 1 0.55 . . 2 . . . . . 143 L MD2 . 27726 1 639 . 1 1 143 143 LEU CA C 13 54.65 . . 1 . . . . . 143 L CA . 27726 1 640 . 1 1 143 143 LEU CB C 13 40.96 . . 1 . . . . . 143 L CB . 27726 1 641 . 1 1 143 143 LEU CD1 C 13 19.52 . . 2 . . . . . 143 L CD1 . 27726 1 642 . 1 1 143 143 LEU CD2 C 13 23.7 . . 2 . . . . . 143 L CD2 . 27726 1 643 . 1 1 143 143 LEU N N 15 115.21 . . 1 . . . . . 143 L N . 27726 1 644 . 1 1 144 144 GLY H H 1 7.36 . . 1 . . . . . 144 G H . 27726 1 645 . 1 1 144 144 GLY CA C 13 45.85 . . 1 . . . . . 144 G CA . 27726 1 646 . 1 1 144 144 GLY N N 15 103.9 . . 1 . . . . . 144 G N . 27726 1 647 . 1 1 145 145 LEU H H 1 7.23 . . 1 . . . . . 145 L H . 27726 1 648 . 1 1 145 145 LEU HD11 H 1 0.32 . . 2 . . . . . 145 L MD1 . 27726 1 649 . 1 1 145 145 LEU HD12 H 1 0.32 . . 2 . . . . . 145 L MD1 . 27726 1 650 . 1 1 145 145 LEU HD13 H 1 0.32 . . 2 . . . . . 145 L MD1 . 27726 1 651 . 1 1 145 145 LEU HD21 H 1 -0.06 . . 2 . . . . . 145 L MD2 . 27726 1 652 . 1 1 145 145 LEU HD22 H 1 -0.06 . . 2 . . . . . 145 L MD2 . 27726 1 653 . 1 1 145 145 LEU HD23 H 1 -0.06 . . 2 . . . . . 145 L MD2 . 27726 1 654 . 1 1 145 145 LEU CA C 13 56.42 . . 1 . . . . . 145 L CA . 27726 1 655 . 1 1 145 145 LEU CB C 13 37.07 . . 1 . . . . . 145 L CB . 27726 1 656 . 1 1 145 145 LEU CD1 C 13 23.5 . . 2 . . . . . 145 L CD1 . 27726 1 657 . 1 1 145 145 LEU CD2 C 13 18.88 . . 2 . . . . . 145 L CD2 . 27726 1 658 . 1 1 145 145 LEU N N 15 116.09 . . 1 . . . . . 145 L N . 27726 1 659 . 1 1 146 146 HIS H H 1 8 . . 1 . . . . . 146 H H . 27726 1 660 . 1 1 146 146 HIS CA C 13 58.36 . . 1 . . . . . 146 H CA . 27726 1 661 . 1 1 146 146 HIS CB C 13 29.36 . . 1 . . . . . 146 H CB . 27726 1 662 . 1 1 146 146 HIS N N 15 112.02 . . 1 . . . . . 146 H N . 27726 1 663 . 1 1 147 147 SER H H 1 7.59 . . 1 . . . . . 147 S H . 27726 1 664 . 1 1 147 147 SER CA C 13 58.71 . . 1 . . . . . 147 S CA . 27726 1 665 . 1 1 147 147 SER CB C 13 63.19 . . 1 . . . . . 147 S CB . 27726 1 666 . 1 1 147 147 SER N N 15 113.24 . . 1 . . . . . 147 S N . 27726 1 667 . 1 1 148 148 LEU H H 1 7.33 . . 1 . . . . . 148 L H . 27726 1 668 . 1 1 148 148 LEU HD11 H 1 0.18 . . 2 . . . . . 148 L MD1 . 27726 1 669 . 1 1 148 148 LEU HD12 H 1 0.18 . . 2 . . . . . 148 L MD1 . 27726 1 670 . 1 1 148 148 LEU HD13 H 1 0.18 . . 2 . . . . . 148 L MD1 . 27726 1 671 . 1 1 148 148 LEU HD21 H 1 0.52 . . 2 . . . . . 148 L MD2 . 27726 1 672 . 1 1 148 148 LEU HD22 H 1 0.52 . . 2 . . . . . 148 L MD2 . 27726 1 673 . 1 1 148 148 LEU HD23 H 1 0.52 . . 2 . . . . . 148 L MD2 . 27726 1 674 . 1 1 148 148 LEU CA C 13 54.49 . . 1 . . . . . 148 L CA . 27726 1 675 . 1 1 148 148 LEU CB C 13 39.81 . . 1 . . . . . 148 L CB . 27726 1 676 . 1 1 148 148 LEU CD1 C 13 23.12 . . 2 . . . . . 148 L CD1 . 27726 1 677 . 1 1 148 148 LEU CD2 C 13 20.11 . . 2 . . . . . 148 L CD2 . 27726 1 678 . 1 1 148 148 LEU N N 15 122.69 . . 1 . . . . . 148 L N . 27726 1 679 . 1 1 155 155 ILE HD11 H 1 0.66 . . 1 . . . . . 155 I MD . 27726 1 680 . 1 1 155 155 ILE HD12 H 1 0.66 . . 1 . . . . . 155 I MD . 27726 1 681 . 1 1 155 155 ILE HD13 H 1 0.66 . . 1 . . . . . 155 I MD . 27726 1 682 . 1 1 155 155 ILE CD1 C 13 12.21 . . 1 . . . . . 155 I CD1 . 27726 1 683 . 1 1 157 157 ALA H H 1 9.05 . . 1 . . . . . 157 A H . 27726 1 684 . 1 1 157 157 ALA CA C 13 51.89 . . 1 . . . . . 157 A CA . 27726 1 685 . 1 1 157 157 ALA CB C 13 17.84 . . 1 . . . . . 157 A CB . 27726 1 686 . 1 1 157 157 ALA N N 15 132.57 . . 1 . . . . . 157 A N . 27726 1 687 . 1 1 158 158 THR H H 1 8.74 . . 1 . . . . . 158 T H . 27726 1 688 . 1 1 158 158 THR CA C 13 60.23 . . 1 . . . . . 158 T CA . 27726 1 689 . 1 1 158 158 THR CB C 13 72.59 . . 1 . . . . . 158 T CB . 27726 1 690 . 1 1 158 158 THR N N 15 116.07 . . 1 . . . . . 158 T N . 27726 1 691 . 1 1 159 159 CYS H H 1 8.25 . . 1 . . . . . 159 C H . 27726 1 692 . 1 1 159 159 CYS CA C 13 57.75 . . 1 . . . . . 159 C CA . 27726 1 693 . 1 1 159 159 CYS CB C 13 28.14 . . 1 . . . . . 159 C CB . 27726 1 694 . 1 1 159 159 CYS N N 15 120.37 . . 1 . . . . . 159 C N . 27726 1 695 . 1 1 160 160 ALA H H 1 9.2 . . 1 . . . . . 160 A H . 27726 1 696 . 1 1 160 160 ALA CA C 13 55.1 . . 1 . . . . . 160 A CA . 27726 1 697 . 1 1 160 160 ALA CB C 13 20.11 . . 1 . . . . . 160 A CB . 27726 1 698 . 1 1 160 160 ALA N N 15 132.17 . . 1 . . . . . 160 A N . 27726 1 699 . 1 1 161 161 THR H H 1 7.02 . . 1 . . . . . 161 T H . 27726 1 700 . 1 1 161 161 THR CA C 13 62.97 . . 1 . . . . . 161 T CA . 27726 1 701 . 1 1 161 161 THR CB C 13 66.47 . . 1 . . . . . 161 T CB . 27726 1 702 . 1 1 161 161 THR N N 15 100.94 . . 1 . . . . . 161 T N . 27726 1 703 . 1 1 162 162 SER H H 1 7.61 . . 1 . . . . . 162 S H . 27726 1 704 . 1 1 162 162 SER CA C 13 57.7 . . 1 . . . . . 162 S CA . 27726 1 705 . 1 1 162 162 SER CB C 13 63.93 . . 1 . . . . . 162 S CB . 27726 1 706 . 1 1 162 162 SER N N 15 115.39 . . 1 . . . . . 162 S N . 27726 1 707 . 1 1 163 163 GLY H H 1 8.18 . . 1 . . . . . 163 G H . 27726 1 708 . 1 1 163 163 GLY CA C 13 44.58 . . 1 . . . . . 163 G CA . 27726 1 709 . 1 1 163 163 GLY N N 15 112.05 . . 1 . . . . . 163 G N . 27726 1 710 . 1 1 164 164 ASP H H 1 7.86 . . 1 . . . . . 164 D H . 27726 1 711 . 1 1 164 164 ASP CA C 13 55.72 . . 1 . . . . . 164 D CA . 27726 1 712 . 1 1 164 164 ASP CB C 13 40.43 . . 1 . . . . . 164 D CB . 27726 1 713 . 1 1 164 164 ASP N N 15 124.12 . . 1 . . . . . 164 D N . 27726 1 714 . 1 1 165 165 GLY H H 1 8.56 . . 1 . . . . . 165 G H . 27726 1 715 . 1 1 165 165 GLY CA C 13 46.69 . . 1 . . . . . 165 G CA . 27726 1 716 . 1 1 165 165 GLY N N 15 112.91 . . 1 . . . . . 165 G N . 27726 1 717 . 1 1 166 166 LEU H H 1 7.09 . . 1 . . . . . 166 L H . 27726 1 718 . 1 1 166 166 LEU HD11 H 1 0.05 . . 2 . . . . . 166 L MD1 . 27726 1 719 . 1 1 166 166 LEU HD12 H 1 0.05 . . 2 . . . . . 166 L MD1 . 27726 1 720 . 1 1 166 166 LEU HD13 H 1 0.05 . . 2 . . . . . 166 L MD1 . 27726 1 721 . 1 1 166 166 LEU HD21 H 1 0.6 . . 2 . . . . . 166 L MD2 . 27726 1 722 . 1 1 166 166 LEU HD22 H 1 0.6 . . 2 . . . . . 166 L MD2 . 27726 1 723 . 1 1 166 166 LEU HD23 H 1 0.6 . . 2 . . . . . 166 L MD2 . 27726 1 724 . 1 1 166 166 LEU CA C 13 57.41 . . 1 . . . . . 166 L CA . 27726 1 725 . 1 1 166 166 LEU CB C 13 40.42 . . 1 . . . . . 166 L CB . 27726 1 726 . 1 1 166 166 LEU CD1 C 13 20.18 . . 2 . . . . . 166 L CD1 . 27726 1 727 . 1 1 166 166 LEU CD2 C 13 23.06 . . 2 . . . . . 166 L CD2 . 27726 1 728 . 1 1 166 166 LEU N N 15 116.79 . . 1 . . . . . 166 L N . 27726 1 729 . 1 1 167 167 TYR H H 1 8.56 . . 1 . . . . . 167 Y H . 27726 1 730 . 1 1 167 167 TYR N N 15 122.3 . . 1 . . . . . 167 Y N . 27726 1 731 . 1 1 168 168 GLU H H 1 9.46 . . 1 . . . . . 168 E H . 27726 1 732 . 1 1 168 168 GLU CA C 13 60.69 . . 1 . . . . . 168 E CA . 27726 1 733 . 1 1 168 168 GLU CB C 13 26.98 . . 1 . . . . . 168 E CB . 27726 1 734 . 1 1 168 168 GLU N N 15 122.3 . . 1 . . . . . 168 E N . 27726 1 735 . 1 1 169 169 GLY H H 1 8.06 . . 1 . . . . . 169 G H . 27726 1 736 . 1 1 169 169 GLY CA C 13 47.27 . . 1 . . . . . 169 G CA . 27726 1 737 . 1 1 169 169 GLY N N 15 106.95 . . 1 . . . . . 169 G N . 27726 1 738 . 1 1 170 170 LEU H H 1 7.78 . . 1 . . . . . 170 L H . 27726 1 739 . 1 1 170 170 LEU HD11 H 1 0.16 . . 2 . . . . . 170 L MD1 . 27726 1 740 . 1 1 170 170 LEU HD12 H 1 0.16 . . 2 . . . . . 170 L MD1 . 27726 1 741 . 1 1 170 170 LEU HD13 H 1 0.16 . . 2 . . . . . 170 L MD1 . 27726 1 742 . 1 1 170 170 LEU HD21 H 1 -0.06 . . 2 . . . . . 170 L MD2 . 27726 1 743 . 1 1 170 170 LEU HD22 H 1 -0.06 . . 2 . . . . . 170 L MD2 . 27726 1 744 . 1 1 170 170 LEU HD23 H 1 -0.06 . . 2 . . . . . 170 L MD2 . 27726 1 745 . 1 1 170 170 LEU CA C 13 57.64 . . 1 . . . . . 170 L CA . 27726 1 746 . 1 1 170 170 LEU CB C 13 39.54 . . 1 . . . . . 170 L CB . 27726 1 747 . 1 1 170 170 LEU CD1 C 13 21.56 . . 2 . . . . . 170 L CD1 . 27726 1 748 . 1 1 170 170 LEU CD2 C 13 18.36 . . 2 . . . . . 170 L CD2 . 27726 1 749 . 1 1 170 170 LEU N N 15 121.56 . . 1 . . . . . 170 L N . 27726 1 750 . 1 1 171 171 ASP H H 1 9.25 . . 1 . . . . . 171 D H . 27726 1 751 . 1 1 171 171 ASP CA C 13 57.61 . . 1 . . . . . 171 D CA . 27726 1 752 . 1 1 171 171 ASP CB C 13 40.16 . . 1 . . . . . 171 D CB . 27726 1 753 . 1 1 171 171 ASP N N 15 121.86 . . 1 . . . . . 171 D N . 27726 1 754 . 1 1 172 172 TRP H H 1 7.57 . . 1 . . . . . 172 W H . 27726 1 755 . 1 1 172 172 TRP CA C 13 62.81 . . 1 . . . . . 172 W CA . 27726 1 756 . 1 1 172 172 TRP CB C 13 26.75 . . 1 . . . . . 172 W CB . 27726 1 757 . 1 1 172 172 TRP N N 15 120.91 . . 1 . . . . . 172 W N . 27726 1 758 . 1 1 173 173 LEU HD11 H 1 0.61 . . 2 . . . . . 173 L MD1 . 27726 1 759 . 1 1 173 173 LEU HD12 H 1 0.61 . . 2 . . . . . 173 L MD1 . 27726 1 760 . 1 1 173 173 LEU HD13 H 1 0.61 . . 2 . . . . . 173 L MD1 . 27726 1 761 . 1 1 173 173 LEU HD21 H 1 0.68 . . 2 . . . . . 173 L MD2 . 27726 1 762 . 1 1 173 173 LEU HD22 H 1 0.68 . . 2 . . . . . 173 L MD2 . 27726 1 763 . 1 1 173 173 LEU HD23 H 1 0.68 . . 2 . . . . . 173 L MD2 . 27726 1 764 . 1 1 173 173 LEU CD1 C 13 22.51 . . 2 . . . . . 173 L CD1 . 27726 1 765 . 1 1 173 173 LEU CD2 C 13 21.5 . . 2 . . . . . 173 L CD2 . 27726 1 766 . 1 1 174 174 SER H H 1 8.76 . . 1 . . . . . 174 S H . 27726 1 767 . 1 1 174 174 SER CA C 13 61.35 . . 1 . . . . . 174 S CA . 27726 1 768 . 1 1 174 174 SER CB C 13 62.32 . . 1 . . . . . 174 S CB . 27726 1 769 . 1 1 174 174 SER N N 15 112.81 . . 1 . . . . . 174 S N . 27726 1 770 . 1 1 175 175 ASN H H 1 7.62 . . 1 . . . . . 175 N H . 27726 1 771 . 1 1 175 175 ASN CA C 13 54.89 . . 1 . . . . . 175 N CA . 27726 1 772 . 1 1 175 175 ASN CB C 13 37.58 . . 1 . . . . . 175 N CB . 27726 1 773 . 1 1 175 175 ASN N N 15 119.24 . . 1 . . . . . 175 N N . 27726 1 774 . 1 1 176 176 GLN H H 1 7.59 . . 1 . . . . . 176 Q H . 27726 1 775 . 1 1 176 176 GLN CA C 13 55.48 . . 1 . . . . . 176 Q CA . 27726 1 776 . 1 1 176 176 GLN CB C 13 26.57 . . 1 . . . . . 176 Q CB . 27726 1 777 . 1 1 176 176 GLN N N 15 116.9 . . 1 . . . . . 176 Q N . 27726 1 778 . 1 1 177 177 LEU H H 1 7.51 . . 1 . . . . . 177 L H . 27726 1 779 . 1 1 177 177 LEU HD11 H 1 0.71 . . 2 . . . . . 177 L MD1 . 27726 1 780 . 1 1 177 177 LEU HD12 H 1 0.71 . . 2 . . . . . 177 L MD1 . 27726 1 781 . 1 1 177 177 LEU HD13 H 1 0.71 . . 2 . . . . . 177 L MD1 . 27726 1 782 . 1 1 177 177 LEU HD21 H 1 0.78 . . 2 . . . . . 177 L MD2 . 27726 1 783 . 1 1 177 177 LEU HD22 H 1 0.78 . . 2 . . . . . 177 L MD2 . 27726 1 784 . 1 1 177 177 LEU HD23 H 1 0.78 . . 2 . . . . . 177 L MD2 . 27726 1 785 . 1 1 177 177 LEU CA C 13 55.83 . . 1 . . . . . 177 L CA . 27726 1 786 . 1 1 177 177 LEU CB C 13 40.63 . . 1 . . . . . 177 L CB . 27726 1 787 . 1 1 177 177 LEU CD1 C 13 21.48 . . 2 . . . . . 177 L CD1 . 27726 1 788 . 1 1 177 177 LEU CD2 C 13 21.78 . . 2 . . . . . 177 L CD2 . 27726 1 789 . 1 1 177 177 LEU N N 15 118.94 . . 1 . . . . . 177 L N . 27726 1 790 . 1 1 178 178 ARG H H 1 7.84 . . 1 . . . . . 178 R H . 27726 1 791 . 1 1 178 178 ARG CA C 13 56.88 . . 1 . . . . . 178 R CA . 27726 1 792 . 1 1 178 178 ARG CB C 13 29.37 . . 1 . . . . . 178 R CB . 27726 1 793 . 1 1 178 178 ARG N N 15 118.26 . . 1 . . . . . 178 R N . 27726 1 stop_ save_