data_4778 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4778 _Entry.Title ; Backbone 1HN, 15N and 13C shifts for GMPPNP-loaded Cdc42 from Candida albicans ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-07-07 _Entry.Accession_date 2000-07-07 _Entry.Last_release_date 2004-02-13 _Entry.Original_release_date 2004-02-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Michael Osborne . J . 4778 2 Willem Stevens . K . 4778 3 Xu Ping . . . 4778 4 Feng Ni . . . 4778 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4778 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 140 4778 '13C chemical shifts' 253 4778 '15N chemical shifts' 140 4778 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 . . 2004-02-13 2000-07-07 original author . 4778 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4770 'GDP-loaded Cdc42' 4778 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4778 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12815258 _Citation.Full_citation . _Citation.Title ; Efficient expression of isotopically labeled peptides for high resolution NMR studies: application to the Cdc42/Rac binding domains of virulent kinases in Candida albicans ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 26 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 317 _Citation.Page_last 326 _Citation.Year 2003 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Michael Osborne . J . 4778 1 2 Z. Su . . . 4778 1 3 V. Sridaran . . . 4778 1 4 Feng Ni . . . 4778 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Cdc42 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Cdc42 _Assembly.Entry_ID 4778 _Assembly.ID 1 _Assembly.Name 'Cell Division Control Protein 42 from Candida albicans' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4778 1 stop_ 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 Cdc42 1 $Cdc42 . . . native . . . . . 4778 1 2 GNP 2 $GNP . . . native . . . . . 4778 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Cell Division Control Protein 42 from Candida albicans' system 4778 1 Cdc42 abbreviation 4778 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'involved in hyphal transformation' 4778 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Cdc42 _Entity.Sf_category entity _Entity.Sf_framecode Cdc42 _Entity.Entry_ID 4778 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Cell division control protein 42' _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 ; GSHMQTIKCVVVGDGAVGKT CLLISYTTSKFPADYVPTVF DNYAVTVMIGDEPFTLGLFD TAGQEDYDRLRPLSYPSTDV FLVCFSVISPASFENVKEKW FPEVHHHCPGVPIIIVGTQT DLRNDDVILQRLHRQKLSPI TQEQGEKLAKELRAVKYVEC SALTQRGLKTVFDEAIVAAL E ; _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 . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 181 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 4770 . Cdc42 . . . . . 100.00 181 100.00 100.00 3.65e-130 . . . . 4778 1 2 no EMBL CAX45095 . "Cell division control protein CDC42 homologue, putative [Candida dubliniensis CD36]" . . . . . 98.34 191 100.00 100.00 2.44e-127 . . . . 4778 1 3 no EMBL CCE43086 . "hypothetical protein CPAR2_207290 [Candida parapsilosis]" . . . . . 98.34 191 97.19 98.31 3.01e-123 . . . . 4778 1 4 no EMBL CCG21049 . "Cdc42 Rho-type GTPase [Candida orthopsilosis Co 90-125]" . . . . . 98.34 191 97.19 98.31 3.01e-123 . . . . 4778 1 5 no GB AAB69764 . "cell division control protein 42 homolog [Candida albicans]" . . . . . 98.34 191 100.00 100.00 2.44e-127 . . . . 4778 1 6 no GB EAK92670 . "likely rho family Ras-like GTPase [Candida albicans SC5314]" . . . . . 98.34 191 100.00 100.00 2.44e-127 . . . . 4778 1 7 no GB EAK92699 . "likely rho family Ras-like GTPase [Candida albicans SC5314]" . . . . . 98.34 191 100.00 100.00 2.44e-127 . . . . 4778 1 8 no GB EDK42478 . "cell division control protein 42 [Lodderomyces elongisporus NRRL YB-4239]" . . . . . 98.34 191 97.19 98.31 9.88e-124 . . . . 4778 1 9 no GB EEQ42372 . "cell division control protein 42 [Candida albicans WO-1]" . . . . . 98.34 191 100.00 100.00 2.44e-127 . . . . 4778 1 10 no REF XP_001528136 . "cell division control protein 42 [Lodderomyces elongisporus NRRL YB-4239]" . . . . . 98.34 191 97.19 98.31 9.88e-124 . . . . 4778 1 11 no REF XP_002417442 . "Cell division control protein CDC42 homologue, putative; cell polarity effector, putative; rho family Ras-like GTPase, putative" . . . . . 98.34 191 100.00 100.00 2.44e-127 . . . . 4778 1 12 no REF XP_002548861 . "cell division control protein 42 [Candida tropicalis MYA-3404]" . . . . . 98.34 191 98.88 100.00 4.04e-126 . . . . 4778 1 13 no REF XP_003866489 . "Cdc42 Rho-type GTPase [Candida orthopsilosis Co 90-125]" . . . . . 98.34 191 97.19 98.31 3.01e-123 . . . . 4778 1 14 no REF XP_007376934 . "cell division control protein 42 [Spathaspora passalidarum NRRL Y-27907]" . . . . . 98.34 191 97.75 98.31 2.41e-124 . . . . 4778 1 15 no SP C4YDI6 . "RecName: Full=Cell division control protein 42 homolog; Flags: Precursor [Candida albicans WO-1]" . . . . . 98.34 191 100.00 100.00 2.44e-127 . . . . 4778 1 16 no SP P0CY33 . "RecName: Full=Cell division control protein 42 homolog; Flags: Precursor [Candida albicans SC5314]" . . . . . 98.34 191 100.00 100.00 2.44e-127 . . . . 4778 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Cell division control protein 42' common 4778 1 Cdc42 abbreviation 4778 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 -3 GLY . 4778 1 2 -2 SER . 4778 1 3 -1 HIS . 4778 1 4 1 MET . 4778 1 5 2 GLN . 4778 1 6 3 THR . 4778 1 7 4 ILE . 4778 1 8 5 LYS . 4778 1 9 6 CYS . 4778 1 10 7 VAL . 4778 1 11 8 VAL . 4778 1 12 9 VAL . 4778 1 13 10 GLY . 4778 1 14 11 ASP . 4778 1 15 12 GLY . 4778 1 16 13 ALA . 4778 1 17 14 VAL . 4778 1 18 15 GLY . 4778 1 19 16 LYS . 4778 1 20 17 THR . 4778 1 21 18 CYS . 4778 1 22 19 LEU . 4778 1 23 20 LEU . 4778 1 24 21 ILE . 4778 1 25 22 SER . 4778 1 26 23 TYR . 4778 1 27 24 THR . 4778 1 28 25 THR . 4778 1 29 26 SER . 4778 1 30 27 LYS . 4778 1 31 28 PHE . 4778 1 32 29 PRO . 4778 1 33 30 ALA . 4778 1 34 31 ASP . 4778 1 35 32 TYR . 4778 1 36 33 VAL . 4778 1 37 34 PRO . 4778 1 38 35 THR . 4778 1 39 36 VAL . 4778 1 40 37 PHE . 4778 1 41 38 ASP . 4778 1 42 39 ASN . 4778 1 43 40 TYR . 4778 1 44 41 ALA . 4778 1 45 42 VAL . 4778 1 46 43 THR . 4778 1 47 44 VAL . 4778 1 48 45 MET . 4778 1 49 46 ILE . 4778 1 50 47 GLY . 4778 1 51 48 ASP . 4778 1 52 49 GLU . 4778 1 53 50 PRO . 4778 1 54 51 PHE . 4778 1 55 52 THR . 4778 1 56 53 LEU . 4778 1 57 54 GLY . 4778 1 58 55 LEU . 4778 1 59 56 PHE . 4778 1 60 57 ASP . 4778 1 61 58 THR . 4778 1 62 59 ALA . 4778 1 63 60 GLY . 4778 1 64 61 GLN . 4778 1 65 62 GLU . 4778 1 66 63 ASP . 4778 1 67 64 TYR . 4778 1 68 65 ASP . 4778 1 69 66 ARG . 4778 1 70 67 LEU . 4778 1 71 68 ARG . 4778 1 72 69 PRO . 4778 1 73 70 LEU . 4778 1 74 71 SER . 4778 1 75 72 TYR . 4778 1 76 73 PRO . 4778 1 77 74 SER . 4778 1 78 75 THR . 4778 1 79 76 ASP . 4778 1 80 77 VAL . 4778 1 81 78 PHE . 4778 1 82 79 LEU . 4778 1 83 80 VAL . 4778 1 84 81 CYS . 4778 1 85 82 PHE . 4778 1 86 83 SER . 4778 1 87 84 VAL . 4778 1 88 85 ILE . 4778 1 89 86 SER . 4778 1 90 87 PRO . 4778 1 91 88 ALA . 4778 1 92 89 SER . 4778 1 93 90 PHE . 4778 1 94 91 GLU . 4778 1 95 92 ASN . 4778 1 96 93 VAL . 4778 1 97 94 LYS . 4778 1 98 95 GLU . 4778 1 99 96 LYS . 4778 1 100 97 TRP . 4778 1 101 98 PHE . 4778 1 102 99 PRO . 4778 1 103 100 GLU . 4778 1 104 101 VAL . 4778 1 105 102 HIS . 4778 1 106 103 HIS . 4778 1 107 104 HIS . 4778 1 108 105 CYS . 4778 1 109 106 PRO . 4778 1 110 107 GLY . 4778 1 111 108 VAL . 4778 1 112 109 PRO . 4778 1 113 110 ILE . 4778 1 114 111 ILE . 4778 1 115 112 ILE . 4778 1 116 113 VAL . 4778 1 117 114 GLY . 4778 1 118 115 THR . 4778 1 119 116 GLN . 4778 1 120 117 THR . 4778 1 121 118 ASP . 4778 1 122 119 LEU . 4778 1 123 120 ARG . 4778 1 124 121 ASN . 4778 1 125 122 ASP . 4778 1 126 123 ASP . 4778 1 127 124 VAL . 4778 1 128 125 ILE . 4778 1 129 126 LEU . 4778 1 130 127 GLN . 4778 1 131 128 ARG . 4778 1 132 129 LEU . 4778 1 133 130 HIS . 4778 1 134 131 ARG . 4778 1 135 132 GLN . 4778 1 136 133 LYS . 4778 1 137 134 LEU . 4778 1 138 135 SER . 4778 1 139 136 PRO . 4778 1 140 137 ILE . 4778 1 141 138 THR . 4778 1 142 139 GLN . 4778 1 143 140 GLU . 4778 1 144 141 GLN . 4778 1 145 142 GLY . 4778 1 146 143 GLU . 4778 1 147 144 LYS . 4778 1 148 145 LEU . 4778 1 149 146 ALA . 4778 1 150 147 LYS . 4778 1 151 148 GLU . 4778 1 152 149 LEU . 4778 1 153 150 ARG . 4778 1 154 151 ALA . 4778 1 155 152 VAL . 4778 1 156 153 LYS . 4778 1 157 154 TYR . 4778 1 158 155 VAL . 4778 1 159 156 GLU . 4778 1 160 157 CYS . 4778 1 161 158 SER . 4778 1 162 159 ALA . 4778 1 163 160 LEU . 4778 1 164 161 THR . 4778 1 165 162 GLN . 4778 1 166 163 ARG . 4778 1 167 164 GLY . 4778 1 168 165 LEU . 4778 1 169 166 LYS . 4778 1 170 167 THR . 4778 1 171 168 VAL . 4778 1 172 169 PHE . 4778 1 173 170 ASP . 4778 1 174 171 GLU . 4778 1 175 172 ALA . 4778 1 176 173 ILE . 4778 1 177 174 VAL . 4778 1 178 175 ALA . 4778 1 179 176 ALA . 4778 1 180 177 LEU . 4778 1 181 178 GLU . 4778 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 . GLY 1 1 4778 1 . SER 2 2 4778 1 . HIS 3 3 4778 1 . MET 4 4 4778 1 . GLN 5 5 4778 1 . THR 6 6 4778 1 . ILE 7 7 4778 1 . LYS 8 8 4778 1 . CYS 9 9 4778 1 . VAL 10 10 4778 1 . VAL 11 11 4778 1 . VAL 12 12 4778 1 . GLY 13 13 4778 1 . ASP 14 14 4778 1 . GLY 15 15 4778 1 . ALA 16 16 4778 1 . VAL 17 17 4778 1 . GLY 18 18 4778 1 . LYS 19 19 4778 1 . THR 20 20 4778 1 . CYS 21 21 4778 1 . LEU 22 22 4778 1 . LEU 23 23 4778 1 . ILE 24 24 4778 1 . SER 25 25 4778 1 . TYR 26 26 4778 1 . THR 27 27 4778 1 . THR 28 28 4778 1 . SER 29 29 4778 1 . LYS 30 30 4778 1 . PHE 31 31 4778 1 . PRO 32 32 4778 1 . ALA 33 33 4778 1 . ASP 34 34 4778 1 . TYR 35 35 4778 1 . VAL 36 36 4778 1 . PRO 37 37 4778 1 . THR 38 38 4778 1 . VAL 39 39 4778 1 . PHE 40 40 4778 1 . ASP 41 41 4778 1 . ASN 42 42 4778 1 . TYR 43 43 4778 1 . ALA 44 44 4778 1 . VAL 45 45 4778 1 . THR 46 46 4778 1 . VAL 47 47 4778 1 . MET 48 48 4778 1 . ILE 49 49 4778 1 . GLY 50 50 4778 1 . ASP 51 51 4778 1 . GLU 52 52 4778 1 . PRO 53 53 4778 1 . PHE 54 54 4778 1 . THR 55 55 4778 1 . LEU 56 56 4778 1 . GLY 57 57 4778 1 . LEU 58 58 4778 1 . PHE 59 59 4778 1 . ASP 60 60 4778 1 . THR 61 61 4778 1 . ALA 62 62 4778 1 . GLY 63 63 4778 1 . GLN 64 64 4778 1 . GLU 65 65 4778 1 . ASP 66 66 4778 1 . TYR 67 67 4778 1 . ASP 68 68 4778 1 . ARG 69 69 4778 1 . LEU 70 70 4778 1 . ARG 71 71 4778 1 . PRO 72 72 4778 1 . LEU 73 73 4778 1 . SER 74 74 4778 1 . TYR 75 75 4778 1 . PRO 76 76 4778 1 . SER 77 77 4778 1 . THR 78 78 4778 1 . ASP 79 79 4778 1 . VAL 80 80 4778 1 . PHE 81 81 4778 1 . LEU 82 82 4778 1 . VAL 83 83 4778 1 . CYS 84 84 4778 1 . PHE 85 85 4778 1 . SER 86 86 4778 1 . VAL 87 87 4778 1 . ILE 88 88 4778 1 . SER 89 89 4778 1 . PRO 90 90 4778 1 . ALA 91 91 4778 1 . SER 92 92 4778 1 . PHE 93 93 4778 1 . GLU 94 94 4778 1 . ASN 95 95 4778 1 . VAL 96 96 4778 1 . LYS 97 97 4778 1 . GLU 98 98 4778 1 . LYS 99 99 4778 1 . TRP 100 100 4778 1 . PHE 101 101 4778 1 . PRO 102 102 4778 1 . GLU 103 103 4778 1 . VAL 104 104 4778 1 . HIS 105 105 4778 1 . HIS 106 106 4778 1 . HIS 107 107 4778 1 . CYS 108 108 4778 1 . PRO 109 109 4778 1 . GLY 110 110 4778 1 . VAL 111 111 4778 1 . PRO 112 112 4778 1 . ILE 113 113 4778 1 . ILE 114 114 4778 1 . ILE 115 115 4778 1 . VAL 116 116 4778 1 . GLY 117 117 4778 1 . THR 118 118 4778 1 . GLN 119 119 4778 1 . THR 120 120 4778 1 . ASP 121 121 4778 1 . LEU 122 122 4778 1 . ARG 123 123 4778 1 . ASN 124 124 4778 1 . ASP 125 125 4778 1 . ASP 126 126 4778 1 . VAL 127 127 4778 1 . ILE 128 128 4778 1 . LEU 129 129 4778 1 . GLN 130 130 4778 1 . ARG 131 131 4778 1 . LEU 132 132 4778 1 . HIS 133 133 4778 1 . ARG 134 134 4778 1 . GLN 135 135 4778 1 . LYS 136 136 4778 1 . LEU 137 137 4778 1 . SER 138 138 4778 1 . PRO 139 139 4778 1 . ILE 140 140 4778 1 . THR 141 141 4778 1 . GLN 142 142 4778 1 . GLU 143 143 4778 1 . GLN 144 144 4778 1 . GLY 145 145 4778 1 . GLU 146 146 4778 1 . LYS 147 147 4778 1 . LEU 148 148 4778 1 . ALA 149 149 4778 1 . LYS 150 150 4778 1 . GLU 151 151 4778 1 . LEU 152 152 4778 1 . ARG 153 153 4778 1 . ALA 154 154 4778 1 . VAL 155 155 4778 1 . LYS 156 156 4778 1 . TYR 157 157 4778 1 . VAL 158 158 4778 1 . GLU 159 159 4778 1 . CYS 160 160 4778 1 . SER 161 161 4778 1 . ALA 162 162 4778 1 . LEU 163 163 4778 1 . THR 164 164 4778 1 . GLN 165 165 4778 1 . ARG 166 166 4778 1 . GLY 167 167 4778 1 . LEU 168 168 4778 1 . LYS 169 169 4778 1 . THR 170 170 4778 1 . VAL 171 171 4778 1 . PHE 172 172 4778 1 . ASP 173 173 4778 1 . GLU 174 174 4778 1 . ALA 175 175 4778 1 . ILE 176 176 4778 1 . VAL 177 177 4778 1 . ALA 178 178 4778 1 . ALA 179 179 4778 1 . LEU 180 180 4778 1 . GLU 181 181 4778 1 stop_ save_ save_GNP _Entity.Sf_category entity _Entity.Sf_framecode GNP _Entity.Entry_ID 4778 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 5p-guanosyl-imido-triphosphate _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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label $chem_comp_GNP _Entity.Number_of_monomers 1 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 5p-guanosyl-imido-triphosphate common 4778 2 GMPPNP abbreviation 4778 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 . GNP . 4778 2 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 . GNP 1 1 4778 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 4778 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Cdc42 . 5476 . . 'Candida albicans' Yeast . . Eukaryota Fungi Candida albicans . . . . . . . . . . . . . . . . . . . . . 4778 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 4778 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Cdc42 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . . . . . . . . 4778 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_GNP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GNP _Chem_comp.Entry_ID 4778 _Chem_comp.ID GNP _Chem_comp.Provenance PDB _Chem_comp.Name 'PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code GNP _Chem_comp.PDB_code GNP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-12-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces GTN _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code GNP _Chem_comp.Number_atoms_all 49 _Chem_comp.Number_atoms_nh 32 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/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 H17 N6 O13 P3' _Chem_comp.Formula_weight 522.196 _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 1CTQ _Chem_comp.Processing_site RCSB _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/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1 InChI InChI 1.03 4778 GNP UQABYHGXWYXDTK-UUOKFMHZSA-N InChIKey InChI 1.03 4778 GNP O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O SMILES ACDLabs 10.04 4778 GNP NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 4778 GNP c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N SMILES 'OpenEye OEToolkits' 1.5.0 4778 GNP NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 4778 GNP c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4778 GNP 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{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]guanosine 'SYSTEMATIC NAME' ACDLabs 10.04 4778 GNP '[[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4778 GNP 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 C1' C1' C1' C1* . C . . R 0 . . . 1 no no . . . . 14.116 . 33.758 . 19.817 . 0.808 -0.272 -3.402 21 . 4778 GNP C2 C2 C2 C2 . C . . N 0 . . . 1 yes no . . . . 17.576 . 32.330 . 17.793 . -0.646 -1.129 -7.549 29 . 4778 GNP C2' C2' C2' C2* . C . . R 0 . . . 1 no no . . . . 13.257 . 34.966 . 19.546 . 1.997 0.695 -3.592 19 . 4778 GNP C3' C3' C3' C3* . C . . S 0 . . . 1 no no . . . . 12.657 . 35.142 . 20.956 . 2.674 0.734 -2.202 17 . 4778 GNP C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . 15.526 . 32.598 . 18.035 . -0.670 -0.168 -5.449 32 . 4778 GNP C4' C4' C4' C4* . C . . R 0 . . . 1 no no . . . . 12.433 . 33.663 . 21.389 . 1.815 -0.217 -1.339 15 . 4778 GNP C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . 15.262 . 31.974 . 16.869 . -1.853 0.512 -5.759 25 . 4778 GNP C5' C5' C5' C5* . C . . N 0 . . . 1 no no . . . . 11.013 . 33.228 . 21.198 . 1.688 0.322 0.086 14 . 4778 GNP C6 C6 C6 C6 . C . . N 0 . . . 1 yes no . . . . 16.309 . 31.355 . 16.084 . -2.423 0.330 -7.041 26 . 4778 GNP C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 13.285 . 32.569 . 17.679 . -1.315 1.051 -3.730 23 . 4778 GNP H1' H1' H1' H1* . H . . N 0 . . . 1 no no . . . . 15.102 . 34.070 . 20.230 . 1.087 -1.281 -3.708 45 . 4778 GNP H2' H2' H2' H2* . H . . N 0 . . . 1 no no . . . . 12.500 . 34.887 . 18.730 . 1.639 1.686 -3.871 43 . 4778 GNP H3' H3' H3' H3* . H . . N 0 . . . 1 no no . . . . 11.732 . 35.763 . 21.003 . 2.652 1.744 -1.793 41 . 4778 GNP H4' H4' H4' H4* . H . . N 0 . . . 1 no no . . . . 12.560 . 33.493 . 22.483 . 2.251 -1.216 -1.329 40 . 4778 GNP H5'1 H5'1 H5'1 1H5* . H . . N 0 . . . 0 no no . . . . 10.833 . 32.198 . 21.586 . 2.673 0.356 0.551 39 . 4778 GNP H5'2 H5'2 H5'2 2H5* . H . . N 0 . . . 0 no no . . . . 10.312 . 33.778 . 21.868 . 1.265 1.326 0.058 38 . 4778 GNP H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 12.203 . 32.779 . 17.728 . -1.341 1.509 -2.752 46 . 4778 GNP HN1 HN1 HN1 HN1 . H . . N 0 . . . 1 no no . . . . 18.375 . 31.513 . 16.056 . -2.166 -0.630 -8.797 47 . 4778 GNP HN21 HN21 HN21 1HN2 . H . . N 0 . . . 0 no no . . . . 18.992 . 32.991 . 19.048 . 0.786 -2.419 -8.210 48 . 4778 GNP HN22 HN22 HN22 2HN2 . H . . N 0 . . . 0 no no . . . . 19.471 . 33.029 . 17.420 . -0.421 -2.092 -9.332 49 . 4778 GNP HNB3 HNB3 HNB3 3HNB . H . . N 0 . . . 0 no no . . . . 7.146 . 31.125 . 21.968 . -2.175 -0.988 5.353 35 . 4778 GNP HO2' HO2' HO2' *HO2 . H . . N 0 . . . 0 no no . . . . 14.436 . 35.926 . 18.297 . 3.651 0.810 -4.606 44 . 4778 GNP HO3' HO3' HO3' *HO3 . H . . N 0 . . . 0 no no . . . . 13.762 . 36.688 . 21.539 . 4.505 0.889 -2.833 42 . 4778 GNP HOA2 HOA2 HOA2 2HOA . H . . N 0 . . . 0 no no . . . . 8.842 . 35.314 . 19.885 . 2.543 -0.764 3.004 37 . 4778 GNP HOB2 HOB2 HOB2 2HOB . H . . N 0 . . . 0 no no . . . . 6.758 . 31.939 . 17.882 . 1.553 -1.004 5.362 36 . 4778 GNP HOG2 HOG2 HOG2 2HOG . H . . N 0 . . . 0 no no . . . . 4.151 . 31.939 . 19.850 . -2.127 -0.645 9.083 33 . 4778 GNP HOG3 HOG3 HOG3 3HOG . H . . N 0 . . . 0 no no . . . . 4.578 . 29.672 . 20.790 . 0.579 -1.147 7.860 34 . 4778 GNP N1 N1 N1 N1 . N . . N 0 . . . 1 yes no . . . . 17.523 . 31.709 . 16.581 . -1.794 -0.489 -7.912 28 . 4778 GNP N2 N2 N2 N2 . N . . N 0 . . . 1 no no . . . . 18.953 . 32.527 . 18.141 . -0.033 -1.960 -8.453 30 . 4778 GNP N3 N3 N3 N3 . N . . N 0 . . . 1 yes no . . . . 16.717 . 32.788 . 18.612 . -0.107 -0.968 -6.361 31 . 4778 GNP N3B N3B N3B N3B . N . . N 0 . . . 1 no no . . . . 6.611 . 31.682 . 21.302 . -1.236 -1.064 5.714 5 . 4778 GNP N7 N7 N7 N7 . N . . N 0 . . . 1 yes no . . . . 13.785 . 31.834 . 16.715 . -2.196 1.240 -4.668 24 . 4778 GNP N9 N9 N9 N9 . N . . N 0 . . . 1 yes no . . . . 14.351 . 32.999 . 18.572 . -0.352 0.188 -4.166 22 . 4778 GNP O1A O1A O1A O1A . O . . N 0 . . . 1 no no . . . . 9.236 . 33.433 . 17.890 . 0.185 1.458 2.252 11 . 4778 GNP O1B O1B O1B O1B . O . . N 0 . . . 1 no no . . . . 7.408 . 29.908 . 19.616 . -0.795 1.221 4.589 7 . 4778 GNP O1G O1G O1G O1G . O . . N 0 . . . 1 no no . . . . 4.899 . 32.144 . 23.047 . -1.759 1.078 7.063 2 . 4778 GNP O2' O2' O2' O2* . O . . N 0 . . . 1 no no . . . . 14.067 . 36.035 . 19.166 . 2.904 0.196 -4.577 20 . 4778 GNP O2A O2A O2A O2A . O . . N 0 . . . 1 no no . . . . 8.532 . 34.468 . 20.185 . 2.216 0.145 2.974 12 . 4778 GNP O2B O2B O2B O2B . O . . N 0 . . . 1 no no . . . . 6.425 . 32.127 . 18.752 . 1.237 -0.091 5.307 8 . 4778 GNP O2G O2G O2G O2G . O . . N 0 . . . 1 no no . . . . 4.129 . 32.343 . 20.710 . -2.158 -1.118 8.240 3 . 4778 GNP O3' O3' O3' O3* . O . . N 0 . . . 1 no no . . . . 13.626 . 35.786 . 21.804 . 4.018 0.258 -2.285 18 . 4778 GNP O3A O3A O3A O3A . O . . N 0 . . . 1 no no . . . . 8.690 . 32.006 . 19.856 . -0.209 -0.830 3.240 9 . 4778 GNP O3G O3G O3G O3G . O . . N 0 . . . 1 no no . . . . 4.556 . 30.076 . 21.650 . 0.274 -0.234 7.778 4 . 4778 GNP O4' O4' O4' O4* . O . . N 0 . . . 1 no no . . . . 13.401 . 32.943 . 20.714 . 0.524 -0.237 -1.986 16 . 4778 GNP O5' O5' O5' O5* . O . . N 0 . . . 1 no no . . . . 10.648 . 33.354 . 19.815 . 0.832 -0.534 0.845 13 . 4778 GNP O6 O6 O6 O6 . O . . N 0 . . . 1 no no . . . . 16.242 . 30.767 . 15.067 . -3.453 0.902 -7.354 27 . 4778 GNP PA PA PA PA . P . . S 0 . . . 1 no no . . . . 9.197 . 33.390 . 19.367 . 0.744 0.089 2.326 10 . 4778 GNP PB PB PB PB . P . . R 0 . . . 1 no no . . . . 7.202 . 31.350 . 19.762 . -0.252 -0.151 4.699 6 . 4778 GNP PG PG PG PG . P . . N 0 . . . 1 no no . . . . 4.935 . 31.507 . 21.691 . -1.231 -0.295 7.212 1 . 4778 GNP 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 . DOUB PG O1G no N 1 . 4778 GNP 2 . SING PG O2G no N 2 . 4778 GNP 3 . SING PG O3G no N 3 . 4778 GNP 4 . SING PG N3B no N 4 . 4778 GNP 5 . SING O2G HOG2 no N 5 . 4778 GNP 6 . SING O3G HOG3 no N 6 . 4778 GNP 7 . SING N3B PB no N 7 . 4778 GNP 8 . SING N3B HNB3 no N 8 . 4778 GNP 9 . DOUB PB O1B no N 9 . 4778 GNP 10 . SING PB O2B no N 10 . 4778 GNP 11 . SING PB O3A no N 11 . 4778 GNP 12 . SING O2B HOB2 no N 12 . 4778 GNP 13 . SING O3A PA no N 13 . 4778 GNP 14 . DOUB PA O1A no N 14 . 4778 GNP 15 . SING PA O2A no N 15 . 4778 GNP 16 . SING PA O5' no N 16 . 4778 GNP 17 . SING O2A HOA2 no N 17 . 4778 GNP 18 . SING O5' C5' no N 18 . 4778 GNP 19 . SING C5' C4' no N 19 . 4778 GNP 20 . SING C5' H5'2 no N 20 . 4778 GNP 21 . SING C5' H5'1 no N 21 . 4778 GNP 22 . SING C4' O4' no N 22 . 4778 GNP 23 . SING C4' C3' no N 23 . 4778 GNP 24 . SING C4' H4' no N 24 . 4778 GNP 25 . SING O4' C1' no N 25 . 4778 GNP 26 . SING C3' O3' no N 26 . 4778 GNP 27 . SING C3' C2' no N 27 . 4778 GNP 28 . SING C3' H3' no N 28 . 4778 GNP 29 . SING O3' HO3' no N 29 . 4778 GNP 30 . SING C2' O2' no N 30 . 4778 GNP 31 . SING C2' C1' no N 31 . 4778 GNP 32 . SING C2' H2' no N 32 . 4778 GNP 33 . SING O2' HO2' no N 33 . 4778 GNP 34 . SING C1' N9 no N 34 . 4778 GNP 35 . SING C1' H1' no N 35 . 4778 GNP 36 . SING N9 C8 yes N 36 . 4778 GNP 37 . SING N9 C4 yes N 37 . 4778 GNP 38 . DOUB C8 N7 yes N 38 . 4778 GNP 39 . SING C8 H8 no N 39 . 4778 GNP 40 . SING N7 C5 yes N 40 . 4778 GNP 41 . SING C5 C6 yes N 41 . 4778 GNP 42 . DOUB C5 C4 yes N 42 . 4778 GNP 43 . DOUB C6 O6 no N 43 . 4778 GNP 44 . SING C6 N1 yes N 44 . 4778 GNP 45 . SING N1 C2 yes N 45 . 4778 GNP 46 . SING N1 HN1 no N 46 . 4778 GNP 47 . SING C2 N2 no N 47 . 4778 GNP 48 . DOUB C2 N3 yes N 48 . 4778 GNP 49 . SING N2 HN21 no N 49 . 4778 GNP 50 . SING N2 HN22 no N 50 . 4778 GNP 51 . SING N3 C4 yes N 51 . 4778 GNP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4778 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Cell division control protein 42' '[U-15N; U-13C]' . . 1 $Cdc42 . . 0.7 . . mM . . . . 4778 1 2 5p-guanosyl-imido-triphosphate . . . 2 $GNP . . 7 . . mM . . . . 4778 1 3 'sodium phosphate' . . . . . . . 50 . . mM . . . . 4778 1 4 'magnesium chloride' . . . . . . . 2 . . mM . . . . 4778 1 5 'sodium chloride' . . . . . . . 50 . . mM . . . . 4778 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 4778 _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 pH* 6.8 0.2 n/a 4778 1 temperature 298 0.2 K 4778 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4778 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4778 _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 NMR_spectrometer Bruker DRX . 800 . . . 4778 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 4778 _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 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4778 1 2 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4778 1 3 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4778 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4778 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4778 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4778 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4778 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct . . . . . . . . . . 4778 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4778 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4778 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4778 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 4778 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 4 4 MET CA C 13 55.22 0.20 . 1 . . . . . . . . 4778 1 2 . 1 1 5 5 GLN CA C 13 56.15 0.20 . 1 . . . . . . . . 4778 1 3 . 1 1 5 5 GLN CB C 13 28.86 0.20 . 1 . . . . . . . . 4778 1 4 . 1 1 5 5 GLN H H 1 8.48 0.04 . 1 . . . . . . . . 4778 1 5 . 1 1 5 5 GLN N N 15 126.73 0.15 . 1 . . . . . . . . 4778 1 6 . 1 1 6 6 THR CA C 13 61.26 0.20 . 1 . . . . . . . . 4778 1 7 . 1 1 6 6 THR CB C 13 70.52 0.20 . 1 . . . . . . . . 4778 1 8 . 1 1 6 6 THR H H 1 8.18 0.04 . 1 . . . . . . . . 4778 1 9 . 1 1 6 6 THR N N 15 121.34 0.15 . 1 . . . . . . . . 4778 1 10 . 1 1 7 7 ILE CA C 13 59.61 0.20 . 1 . . . . . . . . 4778 1 11 . 1 1 7 7 ILE CB C 13 40.23 0.20 . 1 . . . . . . . . 4778 1 12 . 1 1 7 7 ILE H H 1 8.99 0.04 . 1 . . . . . . . . 4778 1 13 . 1 1 7 7 ILE N N 15 131.61 0.15 . 1 . . . . . . . . 4778 1 14 . 1 1 8 8 LYS CA C 13 55.94 0.20 . 1 . . . . . . . . 4778 1 15 . 1 1 8 8 LYS H H 1 10.57 0.04 . 1 . . . . . . . . 4778 1 16 . 1 1 8 8 LYS N N 15 136.05 0.15 . 1 . . . . . . . . 4778 1 17 . 1 1 9 9 CYS CA C 13 55.76 0.20 . 1 . . . . . . . . 4778 1 18 . 1 1 9 9 CYS CB C 13 28.61 0.20 . 1 . . . . . . . . 4778 1 19 . 1 1 9 9 CYS H H 1 9.39 0.04 . 1 . . . . . . . . 4778 1 20 . 1 1 9 9 CYS N N 15 135.77 0.15 . 1 . . . . . . . . 4778 1 21 . 1 1 10 10 VAL CA C 13 60.44 0.20 . 1 . . . . . . . . 4778 1 22 . 1 1 10 10 VAL H H 1 7.47 0.04 . 1 . . . . . . . . 4778 1 23 . 1 1 10 10 VAL N N 15 133.56 0.15 . 1 . . . . . . . . 4778 1 24 . 1 1 11 11 VAL CA C 13 60.88 0.20 . 1 . . . . . . . . 4778 1 25 . 1 1 11 11 VAL H H 1 8.29 0.04 . 1 . . . . . . . . 4778 1 26 . 1 1 11 11 VAL N N 15 131.35 0.15 . 1 . . . . . . . . 4778 1 27 . 1 1 12 12 VAL CA C 13 58.09 0.20 . 1 . . . . . . . . 4778 1 28 . 1 1 12 12 VAL H H 1 8.83 0.04 . 1 . . . . . . . . 4778 1 29 . 1 1 12 12 VAL N N 15 121.71 0.15 . 1 . . . . . . . . 4778 1 30 . 1 1 13 13 GLY CA C 13 43.03 0.20 . 1 . . . . . . . . 4778 1 31 . 1 1 13 13 GLY H H 1 6.62 0.04 . 1 . . . . . . . . 4778 1 32 . 1 1 13 13 GLY N N 15 111.92 0.15 . 1 . . . . . . . . 4778 1 33 . 1 1 14 14 ASP CA C 13 55.73 0.20 . 1 . . . . . . . . 4778 1 34 . 1 1 14 14 ASP CB C 13 40.69 0.20 . 1 . . . . . . . . 4778 1 35 . 1 1 14 14 ASP H H 1 8.26 0.04 . 1 . . . . . . . . 4778 1 36 . 1 1 14 14 ASP N N 15 123.12 0.15 . 1 . . . . . . . . 4778 1 37 . 1 1 15 15 GLY CA C 13 46.54 0.20 . 1 . . . . . . . . 4778 1 38 . 1 1 15 15 GLY H H 1 8.62 0.04 . 1 . . . . . . . . 4778 1 39 . 1 1 15 15 GLY N N 15 109.92 0.15 . 1 . . . . . . . . 4778 1 40 . 1 1 16 16 ALA CA C 13 53.10 0.20 . 1 . . . . . . . . 4778 1 41 . 1 1 16 16 ALA H H 1 9.40 0.04 . 1 . . . . . . . . 4778 1 42 . 1 1 16 16 ALA N N 15 127.82 0.15 . 1 . . . . . . . . 4778 1 43 . 1 1 17 17 VAL CA C 13 61.86 0.20 . 1 . . . . . . . . 4778 1 44 . 1 1 18 18 GLY CA C 13 44.79 0.20 . 1 . . . . . . . . 4778 1 45 . 1 1 18 18 GLY H H 1 8.38 0.04 . 1 . . . . . . . . 4778 1 46 . 1 1 18 18 GLY N N 15 113.33 0.15 . 1 . . . . . . . . 4778 1 47 . 1 1 19 19 LYS CA C 13 60.54 0.20 . 1 . . . . . . . . 4778 1 48 . 1 1 19 19 LYS H H 1 9.48 0.04 . 1 . . . . . . . . 4778 1 49 . 1 1 19 19 LYS N N 15 130.60 0.15 . 1 . . . . . . . . 4778 1 50 . 1 1 20 20 THR CA C 13 66.82 0.20 . 1 . . . . . . . . 4778 1 51 . 1 1 20 20 THR H H 1 9.21 0.04 . 1 . . . . . . . . 4778 1 52 . 1 1 20 20 THR N N 15 123.55 0.15 . 1 . . . . . . . . 4778 1 53 . 1 1 21 21 CYS CA C 13 65.49 0.20 . 1 . . . . . . . . 4778 1 54 . 1 1 21 21 CYS H H 1 9.26 0.04 . 1 . . . . . . . . 4778 1 55 . 1 1 21 21 CYS N N 15 123.68 0.15 . 1 . . . . . . . . 4778 1 56 . 1 1 22 22 LEU CA C 13 59.28 0.20 . 1 . . . . . . . . 4778 1 57 . 1 1 22 22 LEU CB C 13 41.02 0.20 . 1 . . . . . . . . 4778 1 58 . 1 1 22 22 LEU H H 1 8.15 0.04 . 1 . . . . . . . . 4778 1 59 . 1 1 22 22 LEU N N 15 126.82 0.15 . 1 . . . . . . . . 4778 1 60 . 1 1 23 23 LEU CA C 13 57.56 0.20 . 1 . . . . . . . . 4778 1 61 . 1 1 23 23 LEU H H 1 7.40 0.04 . 1 . . . . . . . . 4778 1 62 . 1 1 23 23 LEU N N 15 122.83 0.15 . 1 . . . . . . . . 4778 1 63 . 1 1 24 24 ILE CA C 13 65.56 0.20 . 1 . . . . . . . . 4778 1 64 . 1 1 24 24 ILE H H 1 8.73 0.04 . 1 . . . . . . . . 4778 1 65 . 1 1 24 24 ILE N N 15 126.05 0.15 . 1 . . . . . . . . 4778 1 66 . 1 1 25 25 SER CA C 13 61.38 0.20 . 1 . . . . . . . . 4778 1 67 . 1 1 25 25 SER H H 1 8.81 0.04 . 1 . . . . . . . . 4778 1 68 . 1 1 25 25 SER N N 15 123.71 0.15 . 1 . . . . . . . . 4778 1 69 . 1 1 26 26 TYR CA C 13 60.47 0.20 . 1 . . . . . . . . 4778 1 70 . 1 1 26 26 TYR CB C 13 39.81 0.20 . 1 . . . . . . . . 4778 1 71 . 1 1 26 26 TYR H H 1 7.95 0.04 . 1 . . . . . . . . 4778 1 72 . 1 1 26 26 TYR N N 15 122.60 0.15 . 1 . . . . . . . . 4778 1 73 . 1 1 27 27 THR CA C 13 60.50 0.20 . 1 . . . . . . . . 4778 1 74 . 1 1 27 27 THR CB C 13 68.93 0.20 . 1 . . . . . . . . 4778 1 75 . 1 1 27 27 THR H H 1 7.83 0.04 . 1 . . . . . . . . 4778 1 76 . 1 1 27 27 THR N N 15 111.86 0.15 . 1 . . . . . . . . 4778 1 77 . 1 1 28 28 THR CA C 13 62.03 0.20 . 1 . . . . . . . . 4778 1 78 . 1 1 28 28 THR CB C 13 72.02 0.20 . 1 . . . . . . . . 4778 1 79 . 1 1 28 28 THR H H 1 8.12 0.04 . 1 . . . . . . . . 4778 1 80 . 1 1 28 28 THR N N 15 114.81 0.15 . 1 . . . . . . . . 4778 1 81 . 1 1 29 29 SER CA C 13 60.51 0.20 . 1 . . . . . . . . 4778 1 82 . 1 1 29 29 SER CB C 13 62.31 0.20 . 1 . . . . . . . . 4778 1 83 . 1 1 29 29 SER H H 1 7.43 0.04 . 1 . . . . . . . . 4778 1 84 . 1 1 29 29 SER N N 15 118.97 0.15 . 1 . . . . . . . . 4778 1 85 . 1 1 30 30 LYS CA C 13 54.55 0.20 . 1 . . . . . . . . 4778 1 86 . 1 1 30 30 LYS CB C 13 34.41 0.20 . 1 . . . . . . . . 4778 1 87 . 1 1 30 30 LYS H H 1 7.79 0.04 . 1 . . . . . . . . 4778 1 88 . 1 1 30 30 LYS N N 15 125.28 0.15 . 1 . . . . . . . . 4778 1 89 . 1 1 31 31 PHE CA C 13 55.25 0.20 . 1 . . . . . . . . 4778 1 90 . 1 1 31 31 PHE H H 1 8.48 0.04 . 1 . . . . . . . . 4778 1 91 . 1 1 31 31 PHE N N 15 130.49 0.15 . 1 . . . . . . . . 4778 1 92 . 1 1 32 32 PRO CA C 13 61.93 0.20 . 1 . . . . . . . . 4778 1 93 . 1 1 33 33 ALA CA C 13 52.66 0.20 . 1 . . . . . . . . 4778 1 94 . 1 1 33 33 ALA CB C 13 19.36 0.20 . 1 . . . . . . . . 4778 1 95 . 1 1 33 33 ALA H H 1 7.90 0.04 . 1 . . . . . . . . 4778 1 96 . 1 1 33 33 ALA N N 15 130.56 0.15 . 1 . . . . . . . . 4778 1 97 . 1 1 34 34 ASP CA C 13 54.55 0.20 . 1 . . . . . . . . 4778 1 98 . 1 1 34 34 ASP CB C 13 41.13 0.20 . 1 . . . . . . . . 4778 1 99 . 1 1 34 34 ASP H H 1 8.13 0.04 . 1 . . . . . . . . 4778 1 100 . 1 1 34 34 ASP N N 15 120.54 0.15 . 1 . . . . . . . . 4778 1 101 . 1 1 35 35 TYR CA C 13 57.84 0.20 . 1 . . . . . . . . 4778 1 102 . 1 1 35 35 TYR H H 1 7.81 0.04 . 1 . . . . . . . . 4778 1 103 . 1 1 35 35 TYR N N 15 124.62 0.15 . 1 . . . . . . . . 4778 1 104 . 1 1 39 39 VAL H H 1 5.71 0.04 . 1 . . . . . . . . 4778 1 105 . 1 1 39 39 VAL N N 15 109.67 0.15 . 1 . . . . . . . . 4778 1 106 . 1 1 44 44 ALA CA C 13 50.68 0.20 . 1 . . . . . . . . 4778 1 107 . 1 1 45 45 VAL CA C 13 59.41 0.20 . 1 . . . . . . . . 4778 1 108 . 1 1 45 45 VAL CB C 13 35.08 0.20 . 1 . . . . . . . . 4778 1 109 . 1 1 45 45 VAL H H 1 8.72 0.04 . 1 . . . . . . . . 4778 1 110 . 1 1 45 45 VAL N N 15 123.14 0.15 . 1 . . . . . . . . 4778 1 111 . 1 1 46 46 THR CA C 13 62.32 0.20 . 1 . . . . . . . . 4778 1 112 . 1 1 46 46 THR H H 1 8.59 0.04 . 1 . . . . . . . . 4778 1 113 . 1 1 46 46 THR N N 15 126.12 0.15 . 1 . . . . . . . . 4778 1 114 . 1 1 47 47 VAL CA C 13 60.14 0.20 . 1 . . . . . . . . 4778 1 115 . 1 1 47 47 VAL CB C 13 34.38 0.20 . 1 . . . . . . . . 4778 1 116 . 1 1 47 47 VAL H H 1 9.37 0.04 . 1 . . . . . . . . 4778 1 117 . 1 1 47 47 VAL N N 15 131.62 0.15 . 1 . . . . . . . . 4778 1 118 . 1 1 48 48 MET CA C 13 53.03 0.20 . 1 . . . . . . . . 4778 1 119 . 1 1 48 48 MET CB C 13 30.98 0.20 . 1 . . . . . . . . 4778 1 120 . 1 1 48 48 MET H H 1 8.45 0.04 . 1 . . . . . . . . 4778 1 121 . 1 1 48 48 MET N N 15 127.15 0.15 . 1 . . . . . . . . 4778 1 122 . 1 1 49 49 ILE CA C 13 59.78 0.20 . 1 . . . . . . . . 4778 1 123 . 1 1 49 49 ILE CB C 13 36.06 0.20 . 1 . . . . . . . . 4778 1 124 . 1 1 49 49 ILE H H 1 8.88 0.04 . 1 . . . . . . . . 4778 1 125 . 1 1 49 49 ILE N N 15 131.11 0.15 . 1 . . . . . . . . 4778 1 126 . 1 1 50 50 GLY CA C 13 47.10 0.20 . 1 . . . . . . . . 4778 1 127 . 1 1 50 50 GLY H H 1 8.95 0.04 . 1 . . . . . . . . 4778 1 128 . 1 1 50 50 GLY N N 15 123.90 0.15 . 1 . . . . . . . . 4778 1 129 . 1 1 51 51 ASP CA C 13 54.14 0.20 . 1 . . . . . . . . 4778 1 130 . 1 1 51 51 ASP CB C 13 40.53 0.20 . 1 . . . . . . . . 4778 1 131 . 1 1 51 51 ASP H H 1 8.71 0.04 . 1 . . . . . . . . 4778 1 132 . 1 1 51 51 ASP N N 15 127.37 0.15 . 1 . . . . . . . . 4778 1 133 . 1 1 52 52 GLU CA C 13 52.86 0.20 . 1 . . . . . . . . 4778 1 134 . 1 1 52 52 GLU H H 1 7.90 0.04 . 1 . . . . . . . . 4778 1 135 . 1 1 52 52 GLU N N 15 126.19 0.15 . 1 . . . . . . . . 4778 1 136 . 1 1 53 53 PRO CA C 13 61.86 0.20 . 1 . . . . . . . . 4778 1 137 . 1 1 53 53 PRO CB C 13 31.98 0.20 . 1 . . . . . . . . 4778 1 138 . 1 1 54 54 PHE CA C 13 56.72 0.20 . 1 . . . . . . . . 4778 1 139 . 1 1 54 54 PHE CB C 13 42.39 0.20 . 1 . . . . . . . . 4778 1 140 . 1 1 54 54 PHE H H 1 9.23 0.04 . 1 . . . . . . . . 4778 1 141 . 1 1 54 54 PHE N N 15 126.60 0.15 . 1 . . . . . . . . 4778 1 142 . 1 1 55 55 THR CA C 13 62.30 0.20 . 1 . . . . . . . . 4778 1 143 . 1 1 55 55 THR CB C 13 69.35 0.20 . 1 . . . . . . . . 4778 1 144 . 1 1 55 55 THR H H 1 8.80 0.04 . 1 . . . . . . . . 4778 1 145 . 1 1 55 55 THR N N 15 122.32 0.15 . 1 . . . . . . . . 4778 1 146 . 1 1 56 56 LEU CA C 13 53.36 0.20 . 1 . . . . . . . . 4778 1 147 . 1 1 56 56 LEU H H 1 9.46 0.04 . 1 . . . . . . . . 4778 1 148 . 1 1 56 56 LEU N N 15 135.82 0.15 . 1 . . . . . . . . 4778 1 149 . 1 1 57 57 GLY CA C 13 44.93 0.20 . 1 . . . . . . . . 4778 1 150 . 1 1 57 57 GLY H H 1 9.68 0.04 . 1 . . . . . . . . 4778 1 151 . 1 1 57 57 GLY N N 15 120.65 0.15 . 1 . . . . . . . . 4778 1 152 . 1 1 58 58 LEU CA C 13 53.59 0.20 . 1 . . . . . . . . 4778 1 153 . 1 1 58 58 LEU H H 1 8.65 0.04 . 1 . . . . . . . . 4778 1 154 . 1 1 58 58 LEU N N 15 130.21 0.15 . 1 . . . . . . . . 4778 1 155 . 1 1 64 64 GLN CA C 13 60.21 0.20 . 1 . . . . . . . . 4778 1 156 . 1 1 65 65 GLU CA C 13 58.12 0.20 . 1 . . . . . . . . 4778 1 157 . 1 1 65 65 GLU H H 1 9.08 0.04 . 1 . . . . . . . . 4778 1 158 . 1 1 65 65 GLU N N 15 126.97 0.15 . 1 . . . . . . . . 4778 1 159 . 1 1 66 66 ASP CA C 13 55.63 0.20 . 1 . . . . . . . . 4778 1 160 . 1 1 66 66 ASP CB C 13 39.31 0.20 . 1 . . . . . . . . 4778 1 161 . 1 1 66 66 ASP H H 1 8.58 0.04 . 1 . . . . . . . . 4778 1 162 . 1 1 66 66 ASP N N 15 122.59 0.15 . 1 . . . . . . . . 4778 1 163 . 1 1 67 67 TYR CA C 13 57.92 0.20 . 1 . . . . . . . . 4778 1 164 . 1 1 67 67 TYR H H 1 7.89 0.04 . 1 . . . . . . . . 4778 1 165 . 1 1 67 67 TYR N N 15 121.39 0.15 . 1 . . . . . . . . 4778 1 166 . 1 1 72 72 PRO CA C 13 63.40 0.20 . 1 . . . . . . . . 4778 1 167 . 1 1 72 72 PRO CB C 13 29.61 0.20 . 1 . . . . . . . . 4778 1 168 . 1 1 73 73 LEU CA C 13 56.90 0.20 . 1 . . . . . . . . 4778 1 169 . 1 1 73 73 LEU CB C 13 40.16 0.20 . 1 . . . . . . . . 4778 1 170 . 1 1 73 73 LEU H H 1 7.46 0.04 . 1 . . . . . . . . 4778 1 171 . 1 1 73 73 LEU N N 15 123.33 0.15 . 1 . . . . . . . . 4778 1 172 . 1 1 74 74 SER CA C 13 60.33 0.20 . 1 . . . . . . . . 4778 1 173 . 1 1 74 74 SER CB C 13 63.69 0.20 . 1 . . . . . . . . 4778 1 174 . 1 1 74 74 SER H H 1 7.94 0.04 . 1 . . . . . . . . 4778 1 175 . 1 1 74 74 SER N N 15 117.11 0.15 . 1 . . . . . . . . 4778 1 176 . 1 1 75 75 TYR CA C 13 55.89 0.20 . 1 . . . . . . . . 4778 1 177 . 1 1 75 75 TYR H H 1 7.22 0.04 . 1 . . . . . . . . 4778 1 178 . 1 1 75 75 TYR N N 15 124.87 0.15 . 1 . . . . . . . . 4778 1 179 . 1 1 76 76 PRO CA C 13 65.91 0.20 . 1 . . . . . . . . 4778 1 180 . 1 1 77 77 SER CA C 13 58.98 0.20 . 1 . . . . . . . . 4778 1 181 . 1 1 77 77 SER CB C 13 60.79 0.20 . 1 . . . . . . . . 4778 1 182 . 1 1 77 77 SER H H 1 9.03 0.04 . 1 . . . . . . . . 4778 1 183 . 1 1 77 77 SER N N 15 118.47 0.15 . 1 . . . . . . . . 4778 1 184 . 1 1 78 78 THR CA C 13 66.57 0.20 . 1 . . . . . . . . 4778 1 185 . 1 1 78 78 THR CB C 13 67.76 0.20 . 1 . . . . . . . . 4778 1 186 . 1 1 78 78 THR H H 1 7.39 0.04 . 1 . . . . . . . . 4778 1 187 . 1 1 78 78 THR N N 15 122.52 0.15 . 1 . . . . . . . . 4778 1 188 . 1 1 79 79 ASP CA C 13 55.85 0.20 . 1 . . . . . . . . 4778 1 189 . 1 1 79 79 ASP CB C 13 43.92 0.20 . 1 . . . . . . . . 4778 1 190 . 1 1 79 79 ASP H H 1 8.75 0.04 . 1 . . . . . . . . 4778 1 191 . 1 1 79 79 ASP N N 15 127.70 0.15 . 1 . . . . . . . . 4778 1 192 . 1 1 80 80 VAL CA C 13 60.39 0.20 . 1 . . . . . . . . 4778 1 193 . 1 1 80 80 VAL CB C 13 31.70 0.20 . 1 . . . . . . . . 4778 1 194 . 1 1 80 80 VAL H H 1 7.49 0.04 . 1 . . . . . . . . 4778 1 195 . 1 1 80 80 VAL N N 15 120.94 0.15 . 1 . . . . . . . . 4778 1 196 . 1 1 81 81 PHE CA C 13 56.61 0.20 . 1 . . . . . . . . 4778 1 197 . 1 1 81 81 PHE CB C 13 42.91 0.20 . 1 . . . . . . . . 4778 1 198 . 1 1 81 81 PHE H H 1 8.38 0.04 . 1 . . . . . . . . 4778 1 199 . 1 1 81 81 PHE N N 15 127.87 0.15 . 1 . . . . . . . . 4778 1 200 . 1 1 82 82 LEU CA C 13 52.79 0.20 . 1 . . . . . . . . 4778 1 201 . 1 1 82 82 LEU CB C 13 40.88 0.20 . 1 . . . . . . . . 4778 1 202 . 1 1 82 82 LEU H H 1 8.78 0.04 . 1 . . . . . . . . 4778 1 203 . 1 1 82 82 LEU N N 15 124.07 0.15 . 1 . . . . . . . . 4778 1 204 . 1 1 83 83 VAL CA C 13 60.65 0.20 . 1 . . . . . . . . 4778 1 205 . 1 1 83 83 VAL CB C 13 31.33 0.20 . 1 . . . . . . . . 4778 1 206 . 1 1 83 83 VAL H H 1 8.75 0.04 . 1 . . . . . . . . 4778 1 207 . 1 1 83 83 VAL N N 15 128.59 0.15 . 1 . . . . . . . . 4778 1 208 . 1 1 84 84 CYS CA C 13 57.13 0.20 . 1 . . . . . . . . 4778 1 209 . 1 1 84 84 CYS CB C 13 30.13 0.20 . 1 . . . . . . . . 4778 1 210 . 1 1 84 84 CYS H H 1 8.95 0.04 . 1 . . . . . . . . 4778 1 211 . 1 1 84 84 CYS N N 15 128.87 0.15 . 1 . . . . . . . . 4778 1 212 . 1 1 85 85 PHE CA C 13 56.43 0.20 . 1 . . . . . . . . 4778 1 213 . 1 1 85 85 PHE H H 1 8.97 0.04 . 1 . . . . . . . . 4778 1 214 . 1 1 85 85 PHE N N 15 122.98 0.15 . 1 . . . . . . . . 4778 1 215 . 1 1 86 86 SER CA C 13 55.09 0.20 . 1 . . . . . . . . 4778 1 216 . 1 1 86 86 SER H H 1 8.09 0.04 . 1 . . . . . . . . 4778 1 217 . 1 1 86 86 SER N N 15 117.90 0.15 . 1 . . . . . . . . 4778 1 218 . 1 1 87 87 VAL CA C 13 63.68 0.20 . 1 . . . . . . . . 4778 1 219 . 1 1 87 87 VAL H H 1 8.70 0.04 . 1 . . . . . . . . 4778 1 220 . 1 1 87 87 VAL N N 15 125.69 0.15 . 1 . . . . . . . . 4778 1 221 . 1 1 88 88 ILE CA C 13 58.92 0.20 . 1 . . . . . . . . 4778 1 222 . 1 1 88 88 ILE CB C 13 36.33 0.20 . 1 . . . . . . . . 4778 1 223 . 1 1 88 88 ILE H H 1 7.44 0.04 . 1 . . . . . . . . 4778 1 224 . 1 1 88 88 ILE N N 15 112.03 0.15 . 1 . . . . . . . . 4778 1 225 . 1 1 89 89 SER CA C 13 53.04 0.20 . 1 . . . . . . . . 4778 1 226 . 1 1 89 89 SER H H 1 7.99 0.04 . 1 . . . . . . . . 4778 1 227 . 1 1 89 89 SER N N 15 116.27 0.15 . 1 . . . . . . . . 4778 1 228 . 1 1 90 90 PRO CA C 13 65.22 0.20 . 1 . . . . . . . . 4778 1 229 . 1 1 90 90 PRO CB C 13 31.20 0.20 . 1 . . . . . . . . 4778 1 230 . 1 1 91 91 ALA CA C 13 55.26 0.20 . 1 . . . . . . . . 4778 1 231 . 1 1 91 91 ALA CB C 13 17.70 0.20 . 1 . . . . . . . . 4778 1 232 . 1 1 91 91 ALA H H 1 8.99 0.04 . 1 . . . . . . . . 4778 1 233 . 1 1 91 91 ALA N N 15 125.09 0.15 . 1 . . . . . . . . 4778 1 234 . 1 1 92 92 SER CA C 13 61.16 0.20 . 1 . . . . . . . . 4778 1 235 . 1 1 92 92 SER CB C 13 63.91 0.20 . 1 . . . . . . . . 4778 1 236 . 1 1 92 92 SER H H 1 8.13 0.04 . 1 . . . . . . . . 4778 1 237 . 1 1 92 92 SER N N 15 120.54 0.15 . 1 . . . . . . . . 4778 1 238 . 1 1 93 93 PHE CA C 13 59.65 0.20 . 1 . . . . . . . . 4778 1 239 . 1 1 93 93 PHE CB C 13 38.65 0.20 . 1 . . . . . . . . 4778 1 240 . 1 1 93 93 PHE H H 1 7.43 0.04 . 1 . . . . . . . . 4778 1 241 . 1 1 93 93 PHE N N 15 130.55 0.15 . 1 . . . . . . . . 4778 1 242 . 1 1 94 94 GLU CA C 13 58.71 0.20 . 1 . . . . . . . . 4778 1 243 . 1 1 94 94 GLU CB C 13 28.38 0.20 . 1 . . . . . . . . 4778 1 244 . 1 1 94 94 GLU H H 1 8.21 0.04 . 1 . . . . . . . . 4778 1 245 . 1 1 94 94 GLU N N 15 124.91 0.15 . 1 . . . . . . . . 4778 1 246 . 1 1 95 95 ASN CA C 13 54.43 0.20 . 1 . . . . . . . . 4778 1 247 . 1 1 95 95 ASN CB C 13 37.66 0.20 . 1 . . . . . . . . 4778 1 248 . 1 1 95 95 ASN H H 1 7.95 0.04 . 1 . . . . . . . . 4778 1 249 . 1 1 95 95 ASN N N 15 119.51 0.15 . 1 . . . . . . . . 4778 1 250 . 1 1 96 96 VAL CA C 13 68.60 0.20 . 1 . . . . . . . . 4778 1 251 . 1 1 96 96 VAL CB C 13 30.53 0.20 . 1 . . . . . . . . 4778 1 252 . 1 1 96 96 VAL H H 1 7.93 0.04 . 1 . . . . . . . . 4778 1 253 . 1 1 96 96 VAL N N 15 129.72 0.15 . 1 . . . . . . . . 4778 1 254 . 1 1 97 97 LYS CA C 13 58.44 0.20 . 1 . . . . . . . . 4778 1 255 . 1 1 97 97 LYS CB C 13 32.90 0.20 . 1 . . . . . . . . 4778 1 256 . 1 1 97 97 LYS H H 1 6.74 0.04 . 1 . . . . . . . . 4778 1 257 . 1 1 97 97 LYS N N 15 120.15 0.15 . 1 . . . . . . . . 4778 1 258 . 1 1 98 98 GLU CA C 13 57.72 0.20 . 1 . . . . . . . . 4778 1 259 . 1 1 98 98 GLU CB C 13 30.20 0.20 . 1 . . . . . . . . 4778 1 260 . 1 1 98 98 GLU H H 1 7.77 0.04 . 1 . . . . . . . . 4778 1 261 . 1 1 98 98 GLU N N 15 117.54 0.15 . 1 . . . . . . . . 4778 1 262 . 1 1 99 99 LYS CA C 13 57.19 0.20 . 1 . . . . . . . . 4778 1 263 . 1 1 99 99 LYS H H 1 8.20 0.04 . 1 . . . . . . . . 4778 1 264 . 1 1 99 99 LYS N N 15 120.84 0.15 . 1 . . . . . . . . 4778 1 265 . 1 1 102 102 PRO CA C 13 65.87 0.20 . 1 . . . . . . . . 4778 1 266 . 1 1 103 103 GLU CA C 13 60.55 0.20 . 1 . . . . . . . . 4778 1 267 . 1 1 103 103 GLU H H 1 7.55 0.04 . 1 . . . . . . . . 4778 1 268 . 1 1 103 103 GLU N N 15 122.56 0.15 . 1 . . . . . . . . 4778 1 269 . 1 1 104 104 VAL CA C 13 66.27 0.20 . 1 . . . . . . . . 4778 1 270 . 1 1 104 104 VAL H H 1 8.35 0.04 . 1 . . . . . . . . 4778 1 271 . 1 1 104 104 VAL N N 15 121.92 0.15 . 1 . . . . . . . . 4778 1 272 . 1 1 105 105 HIS CA C 13 57.18 0.20 . 1 . . . . . . . . 4778 1 273 . 1 1 105 105 HIS H H 1 8.45 0.04 . 1 . . . . . . . . 4778 1 274 . 1 1 105 105 HIS N N 15 120.82 0.15 . 1 . . . . . . . . 4778 1 275 . 1 1 109 109 PRO CA C 13 63.83 0.20 . 1 . . . . . . . . 4778 1 276 . 1 1 109 109 PRO CB C 13 30.64 0.20 . 1 . . . . . . . . 4778 1 277 . 1 1 110 110 GLY CA C 13 45.31 0.20 . 1 . . . . . . . . 4778 1 278 . 1 1 110 110 GLY H H 1 8.70 0.04 . 1 . . . . . . . . 4778 1 279 . 1 1 110 110 GLY N N 15 115.12 0.15 . 1 . . . . . . . . 4778 1 280 . 1 1 111 111 VAL CA C 13 60.62 0.20 . 1 . . . . . . . . 4778 1 281 . 1 1 111 111 VAL H H 1 7.28 0.04 . 1 . . . . . . . . 4778 1 282 . 1 1 111 111 VAL N N 15 128.30 0.15 . 1 . . . . . . . . 4778 1 283 . 1 1 112 112 PRO CA C 13 63.38 0.20 . 1 . . . . . . . . 4778 1 284 . 1 1 112 112 PRO CB C 13 32.92 0.20 . 1 . . . . . . . . 4778 1 285 . 1 1 113 113 ILE CA C 13 59.58 0.20 . 1 . . . . . . . . 4778 1 286 . 1 1 113 113 ILE H H 1 8.02 0.04 . 1 . . . . . . . . 4778 1 287 . 1 1 113 113 ILE N N 15 123.41 0.15 . 1 . . . . . . . . 4778 1 288 . 1 1 114 114 ILE CA C 13 59.47 0.20 . 1 . . . . . . . . 4778 1 289 . 1 1 114 114 ILE H H 1 8.80 0.04 . 1 . . . . . . . . 4778 1 290 . 1 1 114 114 ILE N N 15 131.44 0.15 . 1 . . . . . . . . 4778 1 291 . 1 1 115 115 ILE CA C 13 60.15 0.20 . 1 . . . . . . . . 4778 1 292 . 1 1 115 115 ILE CB C 13 37.98 0.20 . 1 . . . . . . . . 4778 1 293 . 1 1 115 115 ILE H H 1 8.21 0.04 . 1 . . . . . . . . 4778 1 294 . 1 1 115 115 ILE N N 15 130.84 0.15 . 1 . . . . . . . . 4778 1 295 . 1 1 116 116 VAL CA C 13 59.01 0.20 . 1 . . . . . . . . 4778 1 296 . 1 1 116 116 VAL CB C 13 33.30 0.20 . 1 . . . . . . . . 4778 1 297 . 1 1 116 116 VAL H H 1 8.94 0.04 . 1 . . . . . . . . 4778 1 298 . 1 1 116 116 VAL N N 15 133.04 0.15 . 1 . . . . . . . . 4778 1 299 . 1 1 117 117 GLY CA C 13 44.09 0.20 . 1 . . . . . . . . 4778 1 300 . 1 1 117 117 GLY H H 1 8.70 0.04 . 1 . . . . . . . . 4778 1 301 . 1 1 117 117 GLY N N 15 119.79 0.15 . 1 . . . . . . . . 4778 1 302 . 1 1 118 118 THR CA C 13 59.45 0.20 . 1 . . . . . . . . 4778 1 303 . 1 1 118 118 THR CB C 13 70.05 0.20 . 1 . . . . . . . . 4778 1 304 . 1 1 118 118 THR H H 1 9.29 0.04 . 1 . . . . . . . . 4778 1 305 . 1 1 118 118 THR N N 15 121.08 0.15 . 1 . . . . . . . . 4778 1 306 . 1 1 119 119 GLN CA C 13 55.78 0.20 . 1 . . . . . . . . 4778 1 307 . 1 1 119 119 GLN CB C 13 24.31 0.20 . 1 . . . . . . . . 4778 1 308 . 1 1 119 119 GLN H H 1 9.43 0.04 . 1 . . . . . . . . 4778 1 309 . 1 1 119 119 GLN N N 15 113.44 0.15 . 1 . . . . . . . . 4778 1 310 . 1 1 120 120 THR CA C 13 64.77 0.20 . 1 . . . . . . . . 4778 1 311 . 1 1 120 120 THR CB C 13 67.92 0.20 . 1 . . . . . . . . 4778 1 312 . 1 1 120 120 THR H H 1 8.05 0.04 . 1 . . . . . . . . 4778 1 313 . 1 1 120 120 THR N N 15 109.95 0.15 . 1 . . . . . . . . 4778 1 314 . 1 1 121 121 ASP CA C 13 55.12 0.20 . 1 . . . . . . . . 4778 1 315 . 1 1 121 121 ASP CB C 13 40.02 0.20 . 1 . . . . . . . . 4778 1 316 . 1 1 121 121 ASP H H 1 8.58 0.04 . 1 . . . . . . . . 4778 1 317 . 1 1 121 121 ASP N N 15 123.48 0.15 . 1 . . . . . . . . 4778 1 318 . 1 1 122 122 LEU CA C 13 55.06 0.20 . 1 . . . . . . . . 4778 1 319 . 1 1 122 122 LEU CB C 13 42.02 0.20 . 1 . . . . . . . . 4778 1 320 . 1 1 122 122 LEU H H 1 7.81 0.04 . 1 . . . . . . . . 4778 1 321 . 1 1 122 122 LEU N N 15 122.73 0.15 . 1 . . . . . . . . 4778 1 322 . 1 1 123 123 ARG CA C 13 60.21 0.20 . 1 . . . . . . . . 4778 1 323 . 1 1 123 123 ARG H H 1 7.22 0.04 . 1 . . . . . . . . 4778 1 324 . 1 1 123 123 ARG N N 15 120.32 0.15 . 1 . . . . . . . . 4778 1 325 . 1 1 124 124 ASN CA C 13 51.57 0.20 . 1 . . . . . . . . 4778 1 326 . 1 1 124 124 ASN CB C 13 38.85 0.20 . 1 . . . . . . . . 4778 1 327 . 1 1 124 124 ASN H H 1 7.23 0.04 . 1 . . . . . . . . 4778 1 328 . 1 1 124 124 ASN N N 15 115.68 0.15 . 1 . . . . . . . . 4778 1 329 . 1 1 125 125 ASP CA C 13 53.32 0.20 . 1 . . . . . . . . 4778 1 330 . 1 1 125 125 ASP CB C 13 43.11 0.20 . 1 . . . . . . . . 4778 1 331 . 1 1 125 125 ASP H H 1 7.24 0.04 . 1 . . . . . . . . 4778 1 332 . 1 1 125 125 ASP N N 15 126.66 0.15 . 1 . . . . . . . . 4778 1 333 . 1 1 126 126 ASP CA C 13 58.22 0.20 . 1 . . . . . . . . 4778 1 334 . 1 1 126 126 ASP CB C 13 41.17 0.20 . 1 . . . . . . . . 4778 1 335 . 1 1 126 126 ASP H H 1 8.73 0.04 . 1 . . . . . . . . 4778 1 336 . 1 1 126 126 ASP N N 15 130.88 0.15 . 1 . . . . . . . . 4778 1 337 . 1 1 127 127 VAL CA C 13 66.33 0.20 . 1 . . . . . . . . 4778 1 338 . 1 1 127 127 VAL CB C 13 30.44 0.20 . 1 . . . . . . . . 4778 1 339 . 1 1 127 127 VAL H H 1 7.97 0.04 . 1 . . . . . . . . 4778 1 340 . 1 1 127 127 VAL N N 15 125.13 0.15 . 1 . . . . . . . . 4778 1 341 . 1 1 128 128 ILE CA C 13 63.14 0.20 . 1 . . . . . . . . 4778 1 342 . 1 1 128 128 ILE CB C 13 35.83 0.20 . 1 . . . . . . . . 4778 1 343 . 1 1 128 128 ILE H H 1 8.10 0.04 . 1 . . . . . . . . 4778 1 344 . 1 1 128 128 ILE N N 15 127.53 0.15 . 1 . . . . . . . . 4778 1 345 . 1 1 129 129 LEU CA C 13 58.22 0.20 . 1 . . . . . . . . 4778 1 346 . 1 1 129 129 LEU CB C 13 40.86 0.20 . 1 . . . . . . . . 4778 1 347 . 1 1 129 129 LEU H H 1 8.72 0.04 . 1 . . . . . . . . 4778 1 348 . 1 1 129 129 LEU N N 15 124.09 0.15 . 1 . . . . . . . . 4778 1 349 . 1 1 130 130 GLN CA C 13 58.90 0.20 . 1 . . . . . . . . 4778 1 350 . 1 1 130 130 GLN H H 1 8.11 0.04 . 1 . . . . . . . . 4778 1 351 . 1 1 130 130 GLN N N 15 122.66 0.15 . 1 . . . . . . . . 4778 1 352 . 1 1 131 131 ARG CA C 13 59.38 0.20 . 1 . . . . . . . . 4778 1 353 . 1 1 131 131 ARG CB C 13 29.50 0.20 . 1 . . . . . . . . 4778 1 354 . 1 1 132 132 LEU CA C 13 57.87 0.20 . 1 . . . . . . . . 4778 1 355 . 1 1 132 132 LEU CB C 13 40.63 0.20 . 1 . . . . . . . . 4778 1 356 . 1 1 132 132 LEU H H 1 8.49 0.04 . 1 . . . . . . . . 4778 1 357 . 1 1 132 132 LEU N N 15 124.10 0.15 . 1 . . . . . . . . 4778 1 358 . 1 1 133 133 HIS CA C 13 59.06 0.20 . 1 . . . . . . . . 4778 1 359 . 1 1 133 133 HIS CB C 13 29.38 0.20 . 1 . . . . . . . . 4778 1 360 . 1 1 133 133 HIS H H 1 8.87 0.04 . 1 . . . . . . . . 4778 1 361 . 1 1 133 133 HIS N N 15 124.64 0.15 . 1 . . . . . . . . 4778 1 362 . 1 1 134 134 ARG CA C 13 59.06 0.20 . 1 . . . . . . . . 4778 1 363 . 1 1 135 135 GLN CA C 13 54.88 0.20 . 1 . . . . . . . . 4778 1 364 . 1 1 135 135 GLN CB C 13 29.43 0.20 . 1 . . . . . . . . 4778 1 365 . 1 1 135 135 GLN H H 1 7.44 0.04 . 1 . . . . . . . . 4778 1 366 . 1 1 135 135 GLN N N 15 121.26 0.15 . 1 . . . . . . . . 4778 1 367 . 1 1 136 136 LYS CA C 13 57.15 0.20 . 1 . . . . . . . . 4778 1 368 . 1 1 136 136 LYS CB C 13 27.91 0.20 . 1 . . . . . . . . 4778 1 369 . 1 1 136 136 LYS H H 1 8.02 0.04 . 1 . . . . . . . . 4778 1 370 . 1 1 136 136 LYS N N 15 119.22 0.15 . 1 . . . . . . . . 4778 1 371 . 1 1 137 137 LEU CA C 13 52.69 0.20 . 1 . . . . . . . . 4778 1 372 . 1 1 137 137 LEU CB C 13 46.25 0.20 . 1 . . . . . . . . 4778 1 373 . 1 1 137 137 LEU H H 1 8.05 0.04 . 1 . . . . . . . . 4778 1 374 . 1 1 137 137 LEU N N 15 122.75 0.15 . 1 . . . . . . . . 4778 1 375 . 1 1 138 138 SER CA C 13 56.34 0.20 . 1 . . . . . . . . 4778 1 376 . 1 1 138 138 SER H H 1 7.74 0.04 . 1 . . . . . . . . 4778 1 377 . 1 1 138 138 SER N N 15 118.00 0.15 . 1 . . . . . . . . 4778 1 378 . 1 1 139 139 PRO CA C 13 62.72 0.20 . 1 . . . . . . . . 4778 1 379 . 1 1 139 139 PRO CB C 13 32.10 0.20 . 1 . . . . . . . . 4778 1 380 . 1 1 140 140 ILE CA C 13 58.49 0.20 . 1 . . . . . . . . 4778 1 381 . 1 1 140 140 ILE H H 1 9.19 0.04 . 1 . . . . . . . . 4778 1 382 . 1 1 140 140 ILE N N 15 128.08 0.15 . 1 . . . . . . . . 4778 1 383 . 1 1 141 141 THR CA C 13 60.17 0.20 . 1 . . . . . . . . 4778 1 384 . 1 1 141 141 THR H H 1 8.31 0.04 . 1 . . . . . . . . 4778 1 385 . 1 1 141 141 THR N N 15 123.38 0.15 . 1 . . . . . . . . 4778 1 386 . 1 1 142 142 GLN CA C 13 58.78 0.20 . 1 . . . . . . . . 4778 1 387 . 1 1 142 142 GLN H H 1 9.06 0.04 . 1 . . . . . . . . 4778 1 388 . 1 1 142 142 GLN N N 15 126.64 0.15 . 1 . . . . . . . . 4778 1 389 . 1 1 144 144 GLN CA C 13 59.04 0.20 . 1 . . . . . . . . 4778 1 390 . 1 1 145 145 GLY CA C 13 46.61 0.20 . 1 . . . . . . . . 4778 1 391 . 1 1 145 145 GLY H H 1 7.86 0.04 . 1 . . . . . . . . 4778 1 392 . 1 1 145 145 GLY N N 15 113.98 0.15 . 1 . . . . . . . . 4778 1 393 . 1 1 146 146 GLU CA C 13 59.50 0.20 . 1 . . . . . . . . 4778 1 394 . 1 1 146 146 GLU CB C 13 28.96 0.20 . 1 . . . . . . . . 4778 1 395 . 1 1 146 146 GLU H H 1 8.19 0.04 . 1 . . . . . . . . 4778 1 396 . 1 1 146 146 GLU N N 15 125.47 0.15 . 1 . . . . . . . . 4778 1 397 . 1 1 147 147 LYS CA C 13 59.56 0.20 . 1 . . . . . . . . 4778 1 398 . 1 1 147 147 LYS CB C 13 31.62 0.20 . 1 . . . . . . . . 4778 1 399 . 1 1 147 147 LYS H H 1 8.05 0.04 . 1 . . . . . . . . 4778 1 400 . 1 1 147 147 LYS N N 15 125.17 0.15 . 1 . . . . . . . . 4778 1 401 . 1 1 148 148 LEU CA C 13 57.41 0.20 . 1 . . . . . . . . 4778 1 402 . 1 1 148 148 LEU CB C 13 40.51 0.20 . 1 . . . . . . . . 4778 1 403 . 1 1 148 148 LEU H H 1 7.84 0.04 . 1 . . . . . . . . 4778 1 404 . 1 1 148 148 LEU N N 15 126.34 0.15 . 1 . . . . . . . . 4778 1 405 . 1 1 149 149 ALA CA C 13 55.05 0.20 . 1 . . . . . . . . 4778 1 406 . 1 1 149 149 ALA CB C 13 17.83 0.20 . 1 . . . . . . . . 4778 1 407 . 1 1 149 149 ALA H H 1 8.15 0.04 . 1 . . . . . . . . 4778 1 408 . 1 1 149 149 ALA N N 15 123.12 0.15 . 1 . . . . . . . . 4778 1 409 . 1 1 150 150 LYS CA C 13 58.77 0.20 . 1 . . . . . . . . 4778 1 410 . 1 1 150 150 LYS CB C 13 31.73 0.20 . 1 . . . . . . . . 4778 1 411 . 1 1 150 150 LYS H H 1 7.65 0.04 . 1 . . . . . . . . 4778 1 412 . 1 1 150 150 LYS N N 15 121.54 0.15 . 1 . . . . . . . . 4778 1 413 . 1 1 151 151 GLU CA C 13 59.16 0.20 . 1 . . . . . . . . 4778 1 414 . 1 1 151 151 GLU CB C 13 29.43 0.20 . 1 . . . . . . . . 4778 1 415 . 1 1 151 151 GLU H H 1 8.23 0.04 . 1 . . . . . . . . 4778 1 416 . 1 1 151 151 GLU N N 15 126.12 0.15 . 1 . . . . . . . . 4778 1 417 . 1 1 152 152 LEU CA C 13 53.84 0.20 . 1 . . . . . . . . 4778 1 418 . 1 1 152 152 LEU CB C 13 40.37 0.20 . 1 . . . . . . . . 4778 1 419 . 1 1 152 152 LEU H H 1 8.04 0.04 . 1 . . . . . . . . 4778 1 420 . 1 1 152 152 LEU N N 15 119.32 0.15 . 1 . . . . . . . . 4778 1 421 . 1 1 153 153 ARG CA C 13 57.15 0.20 . 1 . . . . . . . . 4778 1 422 . 1 1 153 153 ARG CB C 13 25.60 0.20 . 1 . . . . . . . . 4778 1 423 . 1 1 153 153 ARG H H 1 7.67 0.04 . 1 . . . . . . . . 4778 1 424 . 1 1 153 153 ARG N N 15 119.29 0.15 . 1 . . . . . . . . 4778 1 425 . 1 1 154 154 ALA CA C 13 51.33 0.20 . 1 . . . . . . . . 4778 1 426 . 1 1 154 154 ALA CB C 13 19.39 0.20 . 1 . . . . . . . . 4778 1 427 . 1 1 154 154 ALA H H 1 8.53 0.04 . 1 . . . . . . . . 4778 1 428 . 1 1 154 154 ALA N N 15 124.83 0.15 . 1 . . . . . . . . 4778 1 429 . 1 1 155 155 VAL CA C 13 65.79 0.20 . 1 . . . . . . . . 4778 1 430 . 1 1 155 155 VAL CB C 13 31.66 0.20 . 1 . . . . . . . . 4778 1 431 . 1 1 155 155 VAL H H 1 9.11 0.04 . 1 . . . . . . . . 4778 1 432 . 1 1 155 155 VAL N N 15 125.06 0.15 . 1 . . . . . . . . 4778 1 433 . 1 1 156 156 LYS CA C 13 54.85 0.20 . 1 . . . . . . . . 4778 1 434 . 1 1 156 156 LYS CB C 13 34.99 0.20 . 1 . . . . . . . . 4778 1 435 . 1 1 156 156 LYS H H 1 7.08 0.04 . 1 . . . . . . . . 4778 1 436 . 1 1 156 156 LYS N N 15 114.70 0.15 . 1 . . . . . . . . 4778 1 437 . 1 1 157 157 TYR CA C 13 55.95 0.20 . 1 . . . . . . . . 4778 1 438 . 1 1 157 157 TYR CB C 13 40.73 0.20 . 1 . . . . . . . . 4778 1 439 . 1 1 157 157 TYR H H 1 8.57 0.04 . 1 . . . . . . . . 4778 1 440 . 1 1 157 157 TYR N N 15 126.23 0.15 . 1 . . . . . . . . 4778 1 441 . 1 1 158 158 VAL CA C 13 58.53 0.20 . 1 . . . . . . . . 4778 1 442 . 1 1 158 158 VAL CB C 13 34.38 0.20 . 1 . . . . . . . . 4778 1 443 . 1 1 158 158 VAL H H 1 8.26 0.04 . 1 . . . . . . . . 4778 1 444 . 1 1 158 158 VAL N N 15 126.99 0.15 . 1 . . . . . . . . 4778 1 445 . 1 1 159 159 GLU CA C 13 53.43 0.20 . 1 . . . . . . . . 4778 1 446 . 1 1 159 159 GLU CB C 13 31.08 0.20 . 1 . . . . . . . . 4778 1 447 . 1 1 159 159 GLU H H 1 7.90 0.04 . 1 . . . . . . . . 4778 1 448 . 1 1 159 159 GLU N N 15 118.97 0.15 . 1 . . . . . . . . 4778 1 449 . 1 1 160 160 CYS CA C 13 55.69 0.20 . 1 . . . . . . . . 4778 1 450 . 1 1 160 160 CYS CB C 13 31.25 0.20 . 1 . . . . . . . . 4778 1 451 . 1 1 160 160 CYS H H 1 8.86 0.04 . 1 . . . . . . . . 4778 1 452 . 1 1 160 160 CYS N N 15 117.56 0.15 . 1 . . . . . . . . 4778 1 453 . 1 1 161 161 SER CA C 13 55.78 0.20 . 1 . . . . . . . . 4778 1 454 . 1 1 161 161 SER CB C 13 64.74 0.20 . 1 . . . . . . . . 4778 1 455 . 1 1 161 161 SER H H 1 7.82 0.04 . 1 . . . . . . . . 4778 1 456 . 1 1 161 161 SER N N 15 114.22 0.15 . 1 . . . . . . . . 4778 1 457 . 1 1 162 162 ALA CA C 13 54.38 0.20 . 1 . . . . . . . . 4778 1 458 . 1 1 162 162 ALA CB C 13 18.84 0.20 . 1 . . . . . . . . 4778 1 459 . 1 1 162 162 ALA H H 1 9.25 0.04 . 1 . . . . . . . . 4778 1 460 . 1 1 162 162 ALA N N 15 137.04 0.15 . 1 . . . . . . . . 4778 1 461 . 1 1 163 163 LEU CA C 13 57.29 0.20 . 1 . . . . . . . . 4778 1 462 . 1 1 163 163 LEU CB C 13 42.82 0.20 . 1 . . . . . . . . 4778 1 463 . 1 1 163 163 LEU H H 1 7.32 0.04 . 1 . . . . . . . . 4778 1 464 . 1 1 163 163 LEU N N 15 122.86 0.15 . 1 . . . . . . . . 4778 1 465 . 1 1 164 164 THR CA C 13 61.45 0.20 . 1 . . . . . . . . 4778 1 466 . 1 1 164 164 THR CB C 13 69.39 0.20 . 1 . . . . . . . . 4778 1 467 . 1 1 164 164 THR H H 1 7.99 0.04 . 1 . . . . . . . . 4778 1 468 . 1 1 164 164 THR N N 15 111.33 0.15 . 1 . . . . . . . . 4778 1 469 . 1 1 165 165 GLN CA C 13 58.43 0.20 . 1 . . . . . . . . 4778 1 470 . 1 1 165 165 GLN CB C 13 25.12 0.20 . 1 . . . . . . . . 4778 1 471 . 1 1 165 165 GLN H H 1 7.50 0.04 . 1 . . . . . . . . 4778 1 472 . 1 1 165 165 GLN N N 15 118.29 0.15 . 1 . . . . . . . . 4778 1 473 . 1 1 166 166 ARG CA C 13 57.71 0.20 . 1 . . . . . . . . 4778 1 474 . 1 1 166 166 ARG H H 1 7.89 0.04 . 1 . . . . . . . . 4778 1 475 . 1 1 166 166 ARG N N 15 128.54 0.15 . 1 . . . . . . . . 4778 1 476 . 1 1 167 167 GLY CA C 13 46.09 0.20 . 1 . . . . . . . . 4778 1 477 . 1 1 167 167 GLY H H 1 9.16 0.04 . 1 . . . . . . . . 4778 1 478 . 1 1 167 167 GLY N N 15 120.67 0.15 . 1 . . . . . . . . 4778 1 479 . 1 1 168 168 LEU CA C 13 58.43 0.20 . 1 . . . . . . . . 4778 1 480 . 1 1 168 168 LEU CB C 13 42.85 0.20 . 1 . . . . . . . . 4778 1 481 . 1 1 168 168 LEU H H 1 7.39 0.04 . 1 . . . . . . . . 4778 1 482 . 1 1 168 168 LEU N N 15 125.47 0.15 . 1 . . . . . . . . 4778 1 483 . 1 1 169 169 LYS CA C 13 60.04 0.20 . 1 . . . . . . . . 4778 1 484 . 1 1 169 169 LYS CB C 13 31.41 0.20 . 1 . . . . . . . . 4778 1 485 . 1 1 169 169 LYS H H 1 8.48 0.04 . 1 . . . . . . . . 4778 1 486 . 1 1 169 169 LYS N N 15 121.32 0.15 . 1 . . . . . . . . 4778 1 487 . 1 1 170 170 THR CA C 13 65.91 0.20 . 1 . . . . . . . . 4778 1 488 . 1 1 170 170 THR CB C 13 68.89 0.20 . 1 . . . . . . . . 4778 1 489 . 1 1 170 170 THR H H 1 7.64 0.04 . 1 . . . . . . . . 4778 1 490 . 1 1 170 170 THR N N 15 118.78 0.15 . 1 . . . . . . . . 4778 1 491 . 1 1 171 171 VAL CA C 13 67.10 0.20 . 1 . . . . . . . . 4778 1 492 . 1 1 171 171 VAL CB C 13 31.13 0.20 . 1 . . . . . . . . 4778 1 493 . 1 1 171 171 VAL H H 1 7.26 0.04 . 1 . . . . . . . . 4778 1 494 . 1 1 171 171 VAL N N 15 124.27 0.15 . 1 . . . . . . . . 4778 1 495 . 1 1 172 172 PHE CA C 13 61.68 0.20 . 1 . . . . . . . . 4778 1 496 . 1 1 172 172 PHE CB C 13 38.99 0.20 . 1 . . . . . . . . 4778 1 497 . 1 1 172 172 PHE H H 1 6.33 0.04 . 1 . . . . . . . . 4778 1 498 . 1 1 172 172 PHE N N 15 118.75 0.15 . 1 . . . . . . . . 4778 1 499 . 1 1 173 173 ASP CA C 13 57.53 0.20 . 1 . . . . . . . . 4778 1 500 . 1 1 173 173 ASP CB C 13 39.60 0.20 . 1 . . . . . . . . 4778 1 501 . 1 1 173 173 ASP H H 1 8.14 0.04 . 1 . . . . . . . . 4778 1 502 . 1 1 173 173 ASP N N 15 126.07 0.15 . 1 . . . . . . . . 4778 1 503 . 1 1 174 174 GLU CA C 13 57.72 0.20 . 1 . . . . . . . . 4778 1 504 . 1 1 174 174 GLU CB C 13 26.93 0.20 . 1 . . . . . . . . 4778 1 505 . 1 1 174 174 GLU H H 1 8.16 0.04 . 1 . . . . . . . . 4778 1 506 . 1 1 174 174 GLU N N 15 121.34 0.15 . 1 . . . . . . . . 4778 1 507 . 1 1 175 175 ALA CA C 13 55.20 0.20 . 1 . . . . . . . . 4778 1 508 . 1 1 175 175 ALA CB C 13 16.99 0.20 . 1 . . . . . . . . 4778 1 509 . 1 1 175 175 ALA H H 1 7.75 0.04 . 1 . . . . . . . . 4778 1 510 . 1 1 175 175 ALA N N 15 128.02 0.15 . 1 . . . . . . . . 4778 1 511 . 1 1 176 176 ILE CA C 13 65.49 0.20 . 1 . . . . . . . . 4778 1 512 . 1 1 176 176 ILE CB C 13 36.88 0.20 . 1 . . . . . . . . 4778 1 513 . 1 1 176 176 ILE H H 1 7.68 0.04 . 1 . . . . . . . . 4778 1 514 . 1 1 176 176 ILE N N 15 120.76 0.15 . 1 . . . . . . . . 4778 1 515 . 1 1 177 177 VAL CA C 13 66.21 0.20 . 1 . . . . . . . . 4778 1 516 . 1 1 177 177 VAL CB C 13 31.03 0.20 . 1 . . . . . . . . 4778 1 517 . 1 1 177 177 VAL H H 1 7.33 0.04 . 1 . . . . . . . . 4778 1 518 . 1 1 177 177 VAL N N 15 120.91 0.15 . 1 . . . . . . . . 4778 1 519 . 1 1 178 178 ALA CA C 13 53.87 0.20 . 1 . . . . . . . . 4778 1 520 . 1 1 178 178 ALA CB C 13 18.36 0.20 . 1 . . . . . . . . 4778 1 521 . 1 1 178 178 ALA H H 1 8.01 0.04 . 1 . . . . . . . . 4778 1 522 . 1 1 178 178 ALA N N 15 124.36 0.15 . 1 . . . . . . . . 4778 1 523 . 1 1 179 179 ALA CA C 13 53.44 0.20 . 1 . . . . . . . . 4778 1 524 . 1 1 179 179 ALA CB C 13 19.39 0.20 . 1 . . . . . . . . 4778 1 525 . 1 1 179 179 ALA H H 1 7.78 0.04 . 1 . . . . . . . . 4778 1 526 . 1 1 179 179 ALA N N 15 122.37 0.15 . 1 . . . . . . . . 4778 1 527 . 1 1 180 180 LEU CA C 13 54.75 0.20 . 1 . . . . . . . . 4778 1 528 . 1 1 180 180 LEU CB C 13 42.36 0.20 . 1 . . . . . . . . 4778 1 529 . 1 1 180 180 LEU H H 1 7.33 0.04 . 1 . . . . . . . . 4778 1 530 . 1 1 180 180 LEU N N 15 120.92 0.15 . 1 . . . . . . . . 4778 1 531 . 1 1 181 181 GLU CA C 13 58.87 0.20 . 1 . . . . . . . . 4778 1 532 . 1 1 181 181 GLU H H 1 7.37 0.04 . 1 . . . . . . . . 4778 1 533 . 1 1 181 181 GLU N N 15 129.82 0.15 . 1 . . . . . . . . 4778 1 stop_ save_