data_5511 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5511 _Entry.Title ; Backbone 1H, 13C, and 15N resonance assignments for the 21 kDa GTPase Rac1 complexed to GDP and Mg2+ ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2002-08-28 _Entry.Accession_date 2002-08-28 _Entry.Last_release_date 2005-11-14 _Entry.Original_release_date 2005-11-14 _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 Roopa Thapar . . . 5511 2 Cathy Moore . D. . 5511 3 Sharon Campbell . L. . 5511 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5511 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 138 5511 '13C chemical shifts' 261 5511 '15N chemical shifts' 138 5511 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 . . 2005-11-14 2002-08-28 original author . 5511 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5511 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Backbone 1H, 13C, and 15N resonance assignments for the 21 kDa GTPase Rac1 complexed to GDP and Mg2+ ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 27 _Citation.Journal_issue 1 _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 87 _Citation.Page_last 88 _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 Roopa Thapar . . . 5511 1 2 Cathy Moore . D. . 5511 1 3 Sharon Campbell . L. . 5511 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'backbone assignment' 5511 1 GTPase 5511 1 Rac1 5511 1 Rho 5511 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_Rac1 _Assembly.Sf_category assembly _Assembly.Sf_framecode Rac1 _Assembly.Entry_ID 5511 _Assembly.ID 1 _Assembly.Name 'p21 Rac1 GTPase' _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 5511 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 Rac1 1 $Racdm . . . native . . . . . 5511 1 2 Guanosine-5'-diphosphate 2 $GDP . . . native . . . . . 5511 1 3 'Magnesium ion' 3 $MG . . . native . . . . . 5511 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 2 . 2 GDP 1 1 O2G . 3 . 3 MG 1 1 MG . . . . . . . . . . 5511 1 2 coordination single . 2 . 2 GDP 1 1 O2B . 3 . 3 MG 1 1 MG . . . . . . . . . . 5511 1 3 coordination single . 3 . 3 MG 1 1 MG . 1 . 1 THR 17 17 OG1 . . . . . . . . . . 5511 1 4 coordination single . 3 . 3 MG 1 1 MG . 1 . 1 THR 35 35 OG1 . . . . . . . . . . 5511 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1MH1 . . . . . ; 1mh1 is the crystal structure of Rac1 F78S mutant complexed to the nucleotide GMPPNP and magnesium. The system we have studied is by solution NMR techniques for the GDP bound form of the protein. ; 5511 1 . PDB 1FOE . . . . . ; 1FOE is the crystal structure of Rac1 complexed to the exchange factor Tiam1 ; 5511 1 . PDB 1G4U . . . . . ; 1G4U is the crystal structure of Rac1 complexed to the GAP Sptp ; 5511 1 . PDB 1HE1 . . . . . ; 1HE1 is the crystal structure of Rac1 complexed to the GAP Exos ; 5511 1 . PDB 1HH4 . . . . . ; 1HH4 is the crystal structure of Rac1 complexed to RhoGDI ; 5511 1 . PDB 1I4D . . . . . ; 1I4D is the crystal structure of Rac1 complexed to Arfaptin ; 5511 1 . PDB 1I4T . . . . . ; 1I4D is the crystal structure of Rac1.GMPPNP complexed to Arfaptin ; 5511 1 . PDB 1E96 . . . . . 'Structure of the Rac1/p67 phox complex' 5511 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'p21 Rac1 GTPase' system 5511 1 Rac1 abbreviation 5511 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'regulation of the actin cytoskeleton' 5511 1 'gene expression' 5511 1 'cell proliferation' 5511 1 'cell adhesion' 5511 1 apoptosis 5511 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Racdm _Entity.Sf_category entity _Entity.Sf_framecode Racdm _Entity.Entry_ID 5511 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Rac1 _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 ; MQAIKCVVVGDGAVGKTCLL ISYTTNAFPGEYIPTVFDNY SANVMVDGKPVNLGLWDTAG QEDYDRLRPLSYPQTDVFLI CFSLVSPASFENVRAKWYPE VRHHCPNTPIILVGTKLDLR DDKDTIEKLKEKKLTPITYP QGLAMAKEIGAVKYLECSAL TQRGLKTVFDEAIRAVLSPP PVKKRKRK ; _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 188 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20991.4 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . . SWISS-PROT Q6RUV5 . 'Ras-related C3 botulinum toxin substrate 1 precursor (p21-Rac1)' . . . . . 100.00 192 99.47 99.47 5.96e-106 . . . . 5511 1 . . SWISS-PROT P63001 . 'Ras-related C3 botulinum toxin substrate 1 precursor (p21-Rac1)' . . . . . 100.00 192 99.47 99.47 5.96e-106 . . . . 5511 1 . . SWISS-PROT P63000 . 'Ras-related C3 botulinum toxin substrate 1 precursor (p21-Rac1) (Ras-like protein TC25) (Cell migration-inducing gene 5 protein)' . . . . . 100.00 192 99.47 99.47 5.96e-106 . . . . 5511 1 . . SWISS-PROT P62999 . 'Ras-related C3 botulinum toxin substrate 1 precursor (p21-Rac1) (Rac2)' . . . . . 100.00 192 99.47 99.47 5.96e-106 . . . . 5511 1 . . SWISS-PROT P62998 . 'Ras-related C3 botulinum toxin substrate 1 precursor (p21-Rac1)' . . . . . 100.00 192 99.47 99.47 5.96e-106 . . . . 5511 1 . . REF NP_001089332 . 'hypothetical protein LOC734382 [Xenopus laevis]' . . . . . 100.00 192 98.94 99.47 1.11e-105 . . . . 5511 1 . . REF NP_001084224 . 'rac GTPase [Xenopus laevis]' . . . . . 100.00 192 98.94 99.47 1.16e-105 . . . . 5511 1 . . REF NP_001034907 . 'hypothetical protein LOC562838 [Danio rerio]' . . . . . 100.00 192 98.40 98.40 1.39e-104 . . . . 5511 1 . . REF NP_001004840 . 'ras-related C3 botulinum toxin substrate 1 (rho family, small GTP binding protein Rac1) [Xenopus tropicalis]' . . . . . 100.00 192 99.47 99.47 5.96e-106 . . . . 5511 1 . . REF NP_001003274 . 'ras-related C3 botulinum toxin substrate 1 [Canis lupus familiaris]' . . . . . 100.00 192 99.47 99.47 5.96e-106 . . . . 5511 1 . . GenBank AAD50299 . 'rac GTPase [Xenopus laevis]' . . . . . 100.00 192 98.94 99.47 1.16e-105 . . . . 5511 1 . . GenBank AAC18960 . 'GTPase cRac1A [Gallus gallus]' . . . . . 100.00 192 99.47 99.47 5.96e-106 . . . . 5511 1 . . GenBank AAB22206 . 'rac1 p21=small GTP-binding protein [human, HL60, Peptide, 192 aa]' . . . . . 100.00 192 99.47 99.47 5.96e-106 . . . . 5511 1 . . GenBank AAA36544 . 'ras-like protein' . . . . . 100.00 191 99.47 99.47 5.22e-106 . . . . 5511 1 . . GenBank AAA36537 . 'ras-related C3 botulinum toxin substrate' . . . . . 100.00 192 99.47 99.47 5.96e-106 . . . . 5511 1 . . EMBL CAJ83626 . 'ras-related C3 botulinum toxin substrate 1 (rho family, small GTP binding protein Rac1) [Xenopus tropicalis]' . . . . . 100.00 192 99.47 99.47 5.96e-106 . . . . 5511 1 . . EMBL CAG04437 . 'unnamed protein product [Tetraodon nigroviridis]' . . . . . 94.15 192 98.31 98.31 2.05e-98 . . . . 5511 1 . . EMBL CAB53579 . 'Rac1 protein [Homo sapiens]' . . . . . 100.00 192 99.47 99.47 5.96e-106 . . . . 5511 1 . . EMBL CAA40545 . 'ras-related C3 botulinium toxin substrate [Mus musculus]' . . . . . 100.00 192 99.47 99.47 5.96e-106 . . . . 5511 1 . . EMBL CAA39801 . 'rac2 [Canis familiaris]' . . . . . 100.00 192 99.47 99.47 5.96e-106 . . . . 5511 1 . . DBJ BAC28767 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 192 99.47 99.47 5.96e-106 . . . . 5511 1 . . DBJ BAC16311 . 'Raichu-1011X [synthetic construct]' . . . . . 93.62 763 100.00 100.00 4.46e-101 . . . . 5511 1 . . DBJ BAB69451 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 192 99.47 99.47 5.96e-106 . . . . 5511 1 . . DBJ BAB26027 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 192 99.47 99.47 5.96e-106 . . . . 5511 1 . . DBJ BAB25667 . 'unnamed protein product [Mus musculus]' . . . . . 100.00 192 98.94 99.47 1.22e-105 . . . . 5511 1 . . PDB 3BJI . 'Structural Basis Of Promiscuous Guanine Nucleotide Exchange By The T-Cell Essential Vav1' . . . . . 94.15 177 100.00 100.00 2.70e-100 . . . . 5511 1 . . PDB 2VRW . 'Critical Structural Role For The Ph And C1 Domains Of The Vav1 Exchange Factor' . . . . . 97.87 184 99.46 99.46 1.40e-103 . . . . 5511 1 . . PDB 2RMK . 'Rac1PRK1 COMPLEX' . . . . . 100.00 192 98.94 98.94 4.64e-105 . . . . 5511 1 . . PDB 2P2L . 'Rac1-Gdp-Zinc Complex' . . . . . 97.87 188 98.91 98.91 7.23e-103 . . . . 5511 1 . . PDB 2NZ8 . 'N-Terminal Dhph Cassette Of Trio In Complex With Nucleotide- Free Rac1' . . . . . 94.15 177 100.00 100.00 2.70e-100 . . . . 5511 1 . . PDB 2H7V . 'Co-Crystal Structure Of Ypka-Rac1' . . . . . 97.87 188 98.91 98.91 7.23e-103 . . . . 5511 1 . . PDB 2FJU . 'Activated Rac1 Bound To Its Effector Phospholipase C Beta 2' . . . . . 94.68 178 100.00 100.00 6.94e-101 . . . . 5511 1 . . PDB 1MH1 . 'Small G-Protein' . . . . . 97.34 186 98.91 98.91 7.11e-102 . . . . 5511 1 . . PDB 1I4T . 'Crystal Structure Analysis Of Rac1-Gmppnp In Complex With Arfaptin' . . . . . 100.00 192 98.94 98.94 4.64e-105 . . . . 5511 1 . . PDB 1I4L . 'Crystal Structure Analysis Of Rac1-Gdp In Complex With Arfaptin (P41)' . . . . . 100.00 192 99.47 99.47 5.96e-106 . . . . 5511 1 . . PDB 1I4D . 'Crystal Structure Analysis Of Rac1-Gdp Complexed With Arfaptin (P21)' . . . . . 100.00 192 99.47 99.47 5.96e-106 . . . . 5511 1 . . PDB 1HH4 . 'Rac1-Rhogdi Complex Involved In Nadph Oxidase Activation' . . . . . 99.47 192 98.93 98.93 3.36e-104 . . . . 5511 1 . . PDB 1HE1 . 'Crystal Structure Of The Complex Between The Gap Domain Of The Pseudomonas Aeruginosa Exos Toxin And Human Rac' . . . . . 93.09 176 100.00 100.00 5.50e-99 . . . . 5511 1 . . PDB 1G4U . 'Crystal Structure Of The Salmonella Tyrosine Phosphatase And Gtpase Activating Protein Sptp Bound To Rac1' . . . . . 97.87 184 98.91 98.91 1.22e-102 . . . . 5511 1 . . PDB 1FOE . 'Crystal Structure Of Rac1 In Complex With The Guanine Nucleotide Exchange Region Of Tiam1' . . . . . 94.15 177 100.00 100.00 2.70e-100 . . . . 5511 1 . . PDB 1E96 . 'Structure Of The RacP67PHOX COMPLEX' . . . . . 99.47 192 98.93 98.93 3.53e-104 . . . . 5511 1 . . BMRB 6970 . Rac1 . . . . . 97.34 183 100.00 100.00 8.26e-104 . . . . 5511 1 . . BMRB 11010 . Rac1 . . . . . 100.00 192 98.94 98.94 4.64e-105 . . . . 5511 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Rac1 common 5511 1 'Racdm (C178S, 1-188)' variant 5511 1 Racdm abbreviation 5511 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 . MET . 5511 1 2 . GLN . 5511 1 3 . ALA . 5511 1 4 . ILE . 5511 1 5 . LYS . 5511 1 6 . CYS . 5511 1 7 . VAL . 5511 1 8 . VAL . 5511 1 9 . VAL . 5511 1 10 . GLY . 5511 1 11 . ASP . 5511 1 12 . GLY . 5511 1 13 . ALA . 5511 1 14 . VAL . 5511 1 15 . GLY . 5511 1 16 . LYS . 5511 1 17 . THR . 5511 1 18 . CYS . 5511 1 19 . LEU . 5511 1 20 . LEU . 5511 1 21 . ILE . 5511 1 22 . SER . 5511 1 23 . TYR . 5511 1 24 . THR . 5511 1 25 . THR . 5511 1 26 . ASN . 5511 1 27 . ALA . 5511 1 28 . PHE . 5511 1 29 . PRO . 5511 1 30 . GLY . 5511 1 31 . GLU . 5511 1 32 . TYR . 5511 1 33 . ILE . 5511 1 34 . PRO . 5511 1 35 . THR . 5511 1 36 . VAL . 5511 1 37 . PHE . 5511 1 38 . ASP . 5511 1 39 . ASN . 5511 1 40 . TYR . 5511 1 41 . SER . 5511 1 42 . ALA . 5511 1 43 . ASN . 5511 1 44 . VAL . 5511 1 45 . MET . 5511 1 46 . VAL . 5511 1 47 . ASP . 5511 1 48 . GLY . 5511 1 49 . LYS . 5511 1 50 . PRO . 5511 1 51 . VAL . 5511 1 52 . ASN . 5511 1 53 . LEU . 5511 1 54 . GLY . 5511 1 55 . LEU . 5511 1 56 . TRP . 5511 1 57 . ASP . 5511 1 58 . THR . 5511 1 59 . ALA . 5511 1 60 . GLY . 5511 1 61 . GLN . 5511 1 62 . GLU . 5511 1 63 . ASP . 5511 1 64 . TYR . 5511 1 65 . ASP . 5511 1 66 . ARG . 5511 1 67 . LEU . 5511 1 68 . ARG . 5511 1 69 . PRO . 5511 1 70 . LEU . 5511 1 71 . SER . 5511 1 72 . TYR . 5511 1 73 . PRO . 5511 1 74 . GLN . 5511 1 75 . THR . 5511 1 76 . ASP . 5511 1 77 . VAL . 5511 1 78 . PHE . 5511 1 79 . LEU . 5511 1 80 . ILE . 5511 1 81 . CYS . 5511 1 82 . PHE . 5511 1 83 . SER . 5511 1 84 . LEU . 5511 1 85 . VAL . 5511 1 86 . SER . 5511 1 87 . PRO . 5511 1 88 . ALA . 5511 1 89 . SER . 5511 1 90 . PHE . 5511 1 91 . GLU . 5511 1 92 . ASN . 5511 1 93 . VAL . 5511 1 94 . ARG . 5511 1 95 . ALA . 5511 1 96 . LYS . 5511 1 97 . TRP . 5511 1 98 . TYR . 5511 1 99 . PRO . 5511 1 100 . GLU . 5511 1 101 . VAL . 5511 1 102 . ARG . 5511 1 103 . HIS . 5511 1 104 . HIS . 5511 1 105 . CYS . 5511 1 106 . PRO . 5511 1 107 . ASN . 5511 1 108 . THR . 5511 1 109 . PRO . 5511 1 110 . ILE . 5511 1 111 . ILE . 5511 1 112 . LEU . 5511 1 113 . VAL . 5511 1 114 . GLY . 5511 1 115 . THR . 5511 1 116 . LYS . 5511 1 117 . LEU . 5511 1 118 . ASP . 5511 1 119 . LEU . 5511 1 120 . ARG . 5511 1 121 . ASP . 5511 1 122 . ASP . 5511 1 123 . LYS . 5511 1 124 . ASP . 5511 1 125 . THR . 5511 1 126 . ILE . 5511 1 127 . GLU . 5511 1 128 . LYS . 5511 1 129 . LEU . 5511 1 130 . LYS . 5511 1 131 . GLU . 5511 1 132 . LYS . 5511 1 133 . LYS . 5511 1 134 . LEU . 5511 1 135 . THR . 5511 1 136 . PRO . 5511 1 137 . ILE . 5511 1 138 . THR . 5511 1 139 . TYR . 5511 1 140 . PRO . 5511 1 141 . GLN . 5511 1 142 . GLY . 5511 1 143 . LEU . 5511 1 144 . ALA . 5511 1 145 . MET . 5511 1 146 . ALA . 5511 1 147 . LYS . 5511 1 148 . GLU . 5511 1 149 . ILE . 5511 1 150 . GLY . 5511 1 151 . ALA . 5511 1 152 . VAL . 5511 1 153 . LYS . 5511 1 154 . TYR . 5511 1 155 . LEU . 5511 1 156 . GLU . 5511 1 157 . CYS . 5511 1 158 . SER . 5511 1 159 . ALA . 5511 1 160 . LEU . 5511 1 161 . THR . 5511 1 162 . GLN . 5511 1 163 . ARG . 5511 1 164 . GLY . 5511 1 165 . LEU . 5511 1 166 . LYS . 5511 1 167 . THR . 5511 1 168 . VAL . 5511 1 169 . PHE . 5511 1 170 . ASP . 5511 1 171 . GLU . 5511 1 172 . ALA . 5511 1 173 . ILE . 5511 1 174 . ARG . 5511 1 175 . ALA . 5511 1 176 . VAL . 5511 1 177 . LEU . 5511 1 178 . SER . 5511 1 179 . PRO . 5511 1 180 . PRO . 5511 1 181 . PRO . 5511 1 182 . VAL . 5511 1 183 . LYS . 5511 1 184 . LYS . 5511 1 185 . ARG . 5511 1 186 . LYS . 5511 1 187 . ARG . 5511 1 188 . LYS . 5511 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 5511 1 . GLN 2 2 5511 1 . ALA 3 3 5511 1 . ILE 4 4 5511 1 . LYS 5 5 5511 1 . CYS 6 6 5511 1 . VAL 7 7 5511 1 . VAL 8 8 5511 1 . VAL 9 9 5511 1 . GLY 10 10 5511 1 . ASP 11 11 5511 1 . GLY 12 12 5511 1 . ALA 13 13 5511 1 . VAL 14 14 5511 1 . GLY 15 15 5511 1 . LYS 16 16 5511 1 . THR 17 17 5511 1 . CYS 18 18 5511 1 . LEU 19 19 5511 1 . LEU 20 20 5511 1 . ILE 21 21 5511 1 . SER 22 22 5511 1 . TYR 23 23 5511 1 . THR 24 24 5511 1 . THR 25 25 5511 1 . ASN 26 26 5511 1 . ALA 27 27 5511 1 . PHE 28 28 5511 1 . PRO 29 29 5511 1 . GLY 30 30 5511 1 . GLU 31 31 5511 1 . TYR 32 32 5511 1 . ILE 33 33 5511 1 . PRO 34 34 5511 1 . THR 35 35 5511 1 . VAL 36 36 5511 1 . PHE 37 37 5511 1 . ASP 38 38 5511 1 . ASN 39 39 5511 1 . TYR 40 40 5511 1 . SER 41 41 5511 1 . ALA 42 42 5511 1 . ASN 43 43 5511 1 . VAL 44 44 5511 1 . MET 45 45 5511 1 . VAL 46 46 5511 1 . ASP 47 47 5511 1 . GLY 48 48 5511 1 . LYS 49 49 5511 1 . PRO 50 50 5511 1 . VAL 51 51 5511 1 . ASN 52 52 5511 1 . LEU 53 53 5511 1 . GLY 54 54 5511 1 . LEU 55 55 5511 1 . TRP 56 56 5511 1 . ASP 57 57 5511 1 . THR 58 58 5511 1 . ALA 59 59 5511 1 . GLY 60 60 5511 1 . GLN 61 61 5511 1 . GLU 62 62 5511 1 . ASP 63 63 5511 1 . TYR 64 64 5511 1 . ASP 65 65 5511 1 . ARG 66 66 5511 1 . LEU 67 67 5511 1 . ARG 68 68 5511 1 . PRO 69 69 5511 1 . LEU 70 70 5511 1 . SER 71 71 5511 1 . TYR 72 72 5511 1 . PRO 73 73 5511 1 . GLN 74 74 5511 1 . THR 75 75 5511 1 . ASP 76 76 5511 1 . VAL 77 77 5511 1 . PHE 78 78 5511 1 . LEU 79 79 5511 1 . ILE 80 80 5511 1 . CYS 81 81 5511 1 . PHE 82 82 5511 1 . SER 83 83 5511 1 . LEU 84 84 5511 1 . VAL 85 85 5511 1 . SER 86 86 5511 1 . PRO 87 87 5511 1 . ALA 88 88 5511 1 . SER 89 89 5511 1 . PHE 90 90 5511 1 . GLU 91 91 5511 1 . ASN 92 92 5511 1 . VAL 93 93 5511 1 . ARG 94 94 5511 1 . ALA 95 95 5511 1 . LYS 96 96 5511 1 . TRP 97 97 5511 1 . TYR 98 98 5511 1 . PRO 99 99 5511 1 . GLU 100 100 5511 1 . VAL 101 101 5511 1 . ARG 102 102 5511 1 . HIS 103 103 5511 1 . HIS 104 104 5511 1 . CYS 105 105 5511 1 . PRO 106 106 5511 1 . ASN 107 107 5511 1 . THR 108 108 5511 1 . PRO 109 109 5511 1 . ILE 110 110 5511 1 . ILE 111 111 5511 1 . LEU 112 112 5511 1 . VAL 113 113 5511 1 . GLY 114 114 5511 1 . THR 115 115 5511 1 . LYS 116 116 5511 1 . LEU 117 117 5511 1 . ASP 118 118 5511 1 . LEU 119 119 5511 1 . ARG 120 120 5511 1 . ASP 121 121 5511 1 . ASP 122 122 5511 1 . LYS 123 123 5511 1 . ASP 124 124 5511 1 . THR 125 125 5511 1 . ILE 126 126 5511 1 . GLU 127 127 5511 1 . LYS 128 128 5511 1 . LEU 129 129 5511 1 . LYS 130 130 5511 1 . GLU 131 131 5511 1 . LYS 132 132 5511 1 . LYS 133 133 5511 1 . LEU 134 134 5511 1 . THR 135 135 5511 1 . PRO 136 136 5511 1 . ILE 137 137 5511 1 . THR 138 138 5511 1 . TYR 139 139 5511 1 . PRO 140 140 5511 1 . GLN 141 141 5511 1 . GLY 142 142 5511 1 . LEU 143 143 5511 1 . ALA 144 144 5511 1 . MET 145 145 5511 1 . ALA 146 146 5511 1 . LYS 147 147 5511 1 . GLU 148 148 5511 1 . ILE 149 149 5511 1 . GLY 150 150 5511 1 . ALA 151 151 5511 1 . VAL 152 152 5511 1 . LYS 153 153 5511 1 . TYR 154 154 5511 1 . LEU 155 155 5511 1 . GLU 156 156 5511 1 . CYS 157 157 5511 1 . SER 158 158 5511 1 . ALA 159 159 5511 1 . LEU 160 160 5511 1 . THR 161 161 5511 1 . GLN 162 162 5511 1 . ARG 163 163 5511 1 . GLY 164 164 5511 1 . LEU 165 165 5511 1 . LYS 166 166 5511 1 . THR 167 167 5511 1 . VAL 168 168 5511 1 . PHE 169 169 5511 1 . ASP 170 170 5511 1 . GLU 171 171 5511 1 . ALA 172 172 5511 1 . ILE 173 173 5511 1 . ARG 174 174 5511 1 . ALA 175 175 5511 1 . VAL 176 176 5511 1 . LEU 177 177 5511 1 . SER 178 178 5511 1 . PRO 179 179 5511 1 . PRO 180 180 5511 1 . PRO 181 181 5511 1 . VAL 182 182 5511 1 . LYS 183 183 5511 1 . LYS 184 184 5511 1 . ARG 185 185 5511 1 . LYS 186 186 5511 1 . ARG 187 187 5511 1 . LYS 188 188 5511 1 stop_ save_ save_GDP _Entity.Sf_category entity _Entity.Sf_framecode GDP _Entity.Entry_ID 5511 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name GDP _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 no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID GDP _Entity.Nonpolymer_comp_label $chem_comp_GDP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GDP . 5511 2 stop_ save_ save_MG _Entity.Sf_category entity _Entity.Sf_framecode MG _Entity.Entry_ID 5511 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name MG _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 no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID MG _Entity.Nonpolymer_comp_label $chem_comp_MG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MG . 5511 3 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 5511 _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 $Racdm . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5511 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 5511 _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 $Racdm . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5511 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_GDP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GDP _Chem_comp.Entry_ID 5511 _Chem_comp.ID GDP _Chem_comp.Provenance . _Chem_comp.Name GUANOSINE-5'-DIPHOSPHATE _Chem_comp.Type 'RNA linking' _Chem_comp.BMRB_code . _Chem_comp.PDB_code GDP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code G _Chem_comp.Three_letter_code GDP _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _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 G _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 H15 N5 O11 P2' _Chem_comp.Formula_weight 443.201 _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 1EK0 _Chem_comp.Processing_site PDBE _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 11:18:42 2011 ; _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 O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O SMILES ACDLabs 10.04 5511 GDP NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 5511 GDP NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 5511 GDP c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5511 GDP c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N SMILES 'OpenEye OEToolkits' 1.5.0 5511 GDP InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 InChI InChI 1.03 5511 GDP QGWNDRXFNXRZMB-UUOKFMHZSA-N InChIKey InChI 1.03 5511 GDP 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 'guanosine 5'-(trihydrogen diphosphate)' 'SYSTEMATIC NAME' ACDLabs 10.04 5511 GDP '[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5511 GDP 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 PB . PB . . P . . N 0 . . . . no no . . . . 13.635 . 17.027 . 28.402 . -1.117 -0.328 5.957 1 . 5511 GDP O1B . O1B . . O . . N 0 . . . . no no . . . . 14.317 . 18.299 . 28.131 . -1.702 1.023 5.810 2 . 5511 GDP O2B . O2B . . O . . N 0 . . . . no no . . . . 14.465 . 15.868 . 28.851 . -2.120 -1.258 6.805 3 . 5511 GDP O3B . O3B . . O . . N 0 . . . . no no . . . . 12.657 . 17.014 . 29.609 . 0.294 -0.221 6.725 4 . 5511 GDP O3A . O3A . . O . . N 0 . . . . no no . . . . 13.031 . 16.438 . 26.904 . -0.887 -0.974 4.500 5 . 5511 GDP PA . PA . . P . . S 0 . . . . no no . . . . 12.164 . 17.382 . 25.843 . 0.120 0.001 3.711 6 . 5511 GDP O1A . O1A . . O . . N 0 . . . . no no . . . . 11.308 . 16.310 . 25.239 . -0.484 1.348 3.599 7 . 5511 GDP O2A . O2A . . O . . N 0 . . . . no no . . . . 11.654 . 18.737 . 26.082 . 1.510 0.102 4.517 8 . 5511 GDP O5' . O5' . . O . . N 0 . . . . no no . . . . 13.417 . 17.470 . 24.852 . 0.394 -0.587 2.238 9 . 5511 GDP C5' . C5' . . C . . N 0 . . . . no no . . . . 14.543 . 18.324 . 25.037 . 1.291 0.319 1.591 10 . 5511 GDP C4' . C4' . . C . . R 0 . . . . no no . . . . 15.043 . 18.710 . 23.648 . 1.595 -0.185 0.179 11 . 5511 GDP O4' . O4' . . O . . N 0 . . . . no no . . . . 15.183 . 17.536 . 22.793 . 0.383 -0.244 -0.604 12 . 5511 GDP C3' . C3' . . C . . S 0 . . . . no no . . . . 13.926 . 19.400 . 22.829 . 2.500 0.818 -0.568 13 . 5511 GDP O3' . O3' . . O . . N 0 . . . . no no . . . . 14.002 . 20.787 . 23.226 . 3.865 0.398 -0.512 14 . 5511 GDP C2' . C2' . . C . . R 0 . . . . no no . . . . 14.511 . 19.303 . 21.406 . 1.981 0.780 -2.024 15 . 5511 GDP O2' . O2' . . O . . N 0 . . . . no no . . . . 15.627 . 20.165 . 21.220 . 3.010 0.339 -2.912 16 . 5511 GDP C1' . C1' . . C . . R 0 . . . . no no . . . . 15.015 . 17.874 . 21.438 . 0.820 -0.238 -1.981 17 . 5511 GDP N9 . N9 . . N . . N 0 . . . . yes no . . . . 13.968 . 16.928 . 20.922 . -0.269 0.191 -2.860 18 . 5511 GDP C8 . C8 . . C . . N 0 . . . . yes no . . . . 13.129 . 16.056 . 21.555 . -1.309 1.006 -2.517 19 . 5511 GDP N7 . N7 . . N . . N 0 . . . . yes no . . . . 12.358 . 15.405 . 20.737 . -2.090 1.179 -3.543 20 . 5511 GDP C5 . C5 . . C . . N 0 . . . . yes no . . . . 12.701 . 15.869 . 19.474 . -1.600 0.488 -4.601 21 . 5511 GDP C6 . C6 . . C . . N 0 . . . . no no . . . . 12.214 . 15.545 . 18.183 . -2.019 0.310 -5.941 22 . 5511 GDP O6 . O6 . . O . . N 0 . . . . no no . . . . 11.326 . 14.728 . 17.882 . -3.032 0.847 -6.355 23 . 5511 GDP N1 . N1 . . N . . N 0 . . . . no no . . . . 12.870 . 16.282 . 17.187 . -1.266 -0.465 -6.751 24 . 5511 GDP C2 . C2 . . C . . N 0 . . . . no no . . . . 13.858 . 17.205 . 17.402 . -0.138 -1.065 -6.276 25 . 5511 GDP N2 . N2 . . N . . N 0 . . . . no no . . . . 14.348 . 17.795 . 16.316 . 0.603 -1.852 -7.120 26 . 5511 GDP N3 . N3 . . N . . N 0 . . . . no no . . . . 14.329 . 17.524 . 18.614 . 0.261 -0.908 -5.034 27 . 5511 GDP C4 . C4 . . C . . N 0 . . . . yes no . . . . 13.701 . 16.819 . 19.565 . -0.430 -0.150 -4.175 28 . 5511 GDP HOB2 . HOB2 . . H . . N 0 . . . . no no . . . . 14.023 . 15.045 . 29.026 . -2.230 -0.837 7.668 29 . 5511 GDP HOB3 . HOB3 . . H . . N 0 . . . . no no . . . . 12.215 . 16.191 . 29.784 . 0.640 -1.121 6.799 30 . 5511 GDP HOA2 . HOA2 . . H . . N 0 . . . . no no . . . . 11.159 . 19.276 . 25.476 . 1.869 -0.793 4.567 31 . 5511 GDP H5' . H5' . . H . . N 0 . . . . no no . . . . 14.323 . 19.205 . 25.683 . 2.217 0.382 2.162 32 . 5511 GDP H5'' . H5'' . . H . . N 0 . . . . no no . . . . 15.335 . 17.871 . 25.677 . 0.831 1.305 1.534 33 . 5511 GDP H4' . H4' . . H . . N 0 . . . . no no . . . . 15.966 . 19.302 . 23.846 . 2.068 -1.166 0.221 34 . 5511 GDP H3' . H3' . . H . . N 0 . . . . no no . . . . 12.892 . 18.995 . 22.935 . 2.392 1.817 -0.148 35 . 5511 GDP HO3' . HO3' . . H . . N 0 . . . . no yes . . . . 13.316 . 21.210 . 22.723 . 4.381 1.059 -0.993 36 . 5511 GDP H2' . H2' . . H . . N 0 . . . . no no . . . . 13.784 . 19.572 . 20.604 . 1.614 1.762 -2.324 37 . 5511 GDP HO2' . HO2' . . H . . N 0 . . . . no no . . . . 15.987 . 20.105 . 20.343 . 3.728 0.983 -2.849 38 . 5511 GDP H1' . H1' . . H . . N 0 . . . . no no . . . . 15.944 . 17.799 . 20.826 . 1.173 -1.227 -2.271 39 . 5511 GDP H8 . H8 . . H . . N 0 . . . . no no . . . . 13.078 . 15.890 . 22.644 . -1.460 1.442 -1.541 40 . 5511 GDP HN1 . HN1 . . H . . N 0 . . . . no no . . . . 12.603 . 16.132 . 16.213 . -1.533 -0.602 -7.674 41 . 5511 GDP HN21 . HN21 . . H . . N 0 . . . . no no . . . . 15.084 . 18.482 . 16.476 . 1.410 -2.283 -6.798 42 . 5511 GDP HN22 . HN22 . . H . . N 0 . . . . no no . . . . 13.590 . 18.216 . 15.778 . 0.319 -1.981 -8.039 43 . 5511 GDP 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 PB O1B no N 1 . 5511 GDP 2 . SING PB O2B no N 2 . 5511 GDP 3 . SING PB O3B no N 3 . 5511 GDP 4 . SING PB O3A no N 4 . 5511 GDP 5 . SING O2B HOB2 no N 5 . 5511 GDP 6 . SING O3B HOB3 no N 6 . 5511 GDP 7 . SING O3A PA no N 7 . 5511 GDP 8 . DOUB PA O1A no N 8 . 5511 GDP 9 . SING PA O2A no N 9 . 5511 GDP 10 . SING PA O5' no N 10 . 5511 GDP 11 . SING O2A HOA2 no N 11 . 5511 GDP 12 . SING O5' C5' no N 12 . 5511 GDP 13 . SING C5' C4' no N 13 . 5511 GDP 14 . SING C5' H5' no N 14 . 5511 GDP 15 . SING C5' H5'' no N 15 . 5511 GDP 16 . SING C4' O4' no N 16 . 5511 GDP 17 . SING C4' C3' no N 17 . 5511 GDP 18 . SING C4' H4' no N 18 . 5511 GDP 19 . SING O4' C1' no N 19 . 5511 GDP 20 . SING C3' O3' no N 20 . 5511 GDP 21 . SING C3' C2' no N 21 . 5511 GDP 22 . SING C3' H3' no N 22 . 5511 GDP 23 . SING O3' HO3' no N 23 . 5511 GDP 24 . SING C2' O2' no N 24 . 5511 GDP 25 . SING C2' C1' no N 25 . 5511 GDP 26 . SING C2' H2' no N 26 . 5511 GDP 27 . SING O2' HO2' no N 27 . 5511 GDP 28 . SING C1' N9 no N 28 . 5511 GDP 29 . SING C1' H1' no N 29 . 5511 GDP 30 . SING N9 C8 yes N 30 . 5511 GDP 31 . SING N9 C4 yes N 31 . 5511 GDP 32 . DOUB C8 N7 yes N 32 . 5511 GDP 33 . SING C8 H8 no N 33 . 5511 GDP 34 . SING N7 C5 yes N 34 . 5511 GDP 35 . SING C5 C6 no N 35 . 5511 GDP 36 . DOUB C5 C4 yes N 36 . 5511 GDP 37 . DOUB C6 O6 no N 37 . 5511 GDP 38 . SING C6 N1 no N 38 . 5511 GDP 39 . SING N1 C2 no N 39 . 5511 GDP 40 . SING N1 HN1 no N 40 . 5511 GDP 41 . SING C2 N2 no N 41 . 5511 GDP 42 . DOUB C2 N3 no N 42 . 5511 GDP 43 . SING N2 HN21 no N 43 . 5511 GDP 44 . SING N2 HN22 no N 44 . 5511 GDP 45 . SING N3 C4 no N 45 . 5511 GDP stop_ save_ save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 5511 _Chem_comp.ID MG _Chem_comp.Provenance . _Chem_comp.Name 'MAGNESIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code MG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code MG _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _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 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Mg _Chem_comp.Formula_weight 24.305 _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 . _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 11:20:54 2011 ; _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 [Mg+2] SMILES ACDLabs 10.04 5511 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 5511 MG [Mg++] SMILES CACTVS 3.341 5511 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 5511 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 5511 MG InChI=1S/Mg/q+2 InChI InChI 1.03 5511 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 5511 MG 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 magnesium 'SYSTEMATIC NAME' ACDLabs 10.04 5511 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 5511 MG 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 MG . MG . . MG . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 5511 MG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Rac1_GDP_Mg_(15N_13C_2H) _Sample.Sf_category sample _Sample.Sf_framecode Rac1_GDP_Mg_(15N_13C_2H) _Sample.Entry_ID 5511 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; The sample is uniformly labeled with 15N and 13C and is perdeuterated ; _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 Rac1 '[U-15N; U-13C; U-2H]' . . 1 $Racdm . . . 0.5 0.7 mM . . . . 5511 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 5511 _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 5511 1 temperature 298 1.5 K 5511 1 'ionic strength' 0.065 . M 5511 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 5511 _Software.ID 1 _Software.Name FELIX _Software.Version 98.2 _Software.Details 'Accelrys Inc.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 5511 1 analysis 5511 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer1 _NMR_spectrometer.Entry_ID 5511 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer2 _NMR_spectrometer.Entry_ID 5511 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _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 5511 _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_spectrometer1 Varian Inova . 600 . . . 5511 1 2 NMR_spectrometer2 Varian Inova . 800 . . . 5511 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 5511 _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 '1H-15N HSQC' . . . . . . . . . . . 1 $Rac1_GDP_Mg_(15N_13C_2H) . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 5511 1 2 HNCA . . . . . . . . . . . 1 $Rac1_GDP_Mg_(15N_13C_2H) . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 5511 1 3 HN(CO)CA . . . . . . . . . . . 1 $Rac1_GDP_Mg_(15N_13C_2H) . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 5511 1 4 HNCO . . . . . . . . . . . 1 $Rac1_GDP_Mg_(15N_13C_2H) . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 5511 1 5 '1H-15N TOCSY-HSQC' . . . . . . . . . . . 1 $Rac1_GDP_Mg_(15N_13C_2H) . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 5511 1 6 CBCA(CO)NH . . . . . . . . . . . 1 $Rac1_GDP_Mg_(15N_13C_2H) . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 5511 1 7 HNCACB . . . . . . . . . . . 1 $Rac1_GDP_Mg_(15N_13C_2H) . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 5511 1 8 'CC(CO)NH TOCSY' . . . . . . . . . . . 1 $Rac1_GDP_Mg_(15N_13C_2H) . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 5511 1 9 '1H-15N NOESY-HSQC' . . . . . . . . . . . 1 $Rac1_GDP_Mg_(15N_13C_2H) . . . 1 $condition_1 . . . . . . . . . . . . . . . . . . . . . 5511 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 5511 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _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 1 _NMR_spec_expt.Software_label $FELIX _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 5511 _NMR_spec_expt.ID 2 _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 1 _NMR_spec_expt.Software_label $FELIX _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 5511 _NMR_spec_expt.ID 3 _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 1 _NMR_spec_expt.Software_label $FELIX _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5511 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _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 1 _NMR_spec_expt.Software_label $FELIX _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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5511 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '1H-15N TOCSY-HSQC' _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 1 _NMR_spec_expt.Software_label $FELIX _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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5511 _NMR_spec_expt.ID 6 _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 1 _NMR_spec_expt.Software_label $FELIX _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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5511 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNCACB _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 1 _NMR_spec_expt.Software_label $FELIX _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_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5511 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name 'CC(CO)NH TOCSY' _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 1 _NMR_spec_expt.Software_label $FELIX _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_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5511 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '1H-15N NOESY-HSQC' _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 1 _NMR_spec_expt.Software_label $FELIX _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 5511 _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 1.0 . . . 1 $entry_citation . . 1 $entry_citation 5511 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5511 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5511 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 5511 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_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 $Rac1_GDP_Mg_(15N_13C_2H) . 5511 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 ILE H H 1 8.61 0.02 . 1 . . . . . . . . 5511 1 2 . 1 1 4 4 ILE N N 15 122.74 0.05 . 1 . . . . . . . . 5511 1 3 . 1 1 5 5 LYS H H 1 10.61 0.02 . 1 . . . . . . . . 5511 1 4 . 1 1 5 5 LYS C C 13 175.33 0.05 . 1 . . . . . . . . 5511 1 5 . 1 1 5 5 LYS N N 15 132.76 0.05 . 1 . . . . . . . . 5511 1 6 . 1 1 6 6 CYS H H 1 9.39 0.02 . 1 . . . . . . . . 5511 1 7 . 1 1 6 6 CYS C C 13 174.89 0.05 . 1 . . . . . . . . 5511 1 8 . 1 1 6 6 CYS N N 15 132.2 0.05 . 1 . . . . . . . . 5511 1 9 . 1 1 7 7 VAL H H 1 7.48 0.02 . 1 . . . . . . . . 5511 1 10 . 1 1 7 7 VAL C C 13 178.62 0.05 . 1 . . . . . . . . 5511 1 11 . 1 1 7 7 VAL N N 15 129.87 0.05 . 1 . . . . . . . . 5511 1 12 . 1 1 8 8 VAL H H 1 8.41 0.02 . 1 . . . . . . . . 5511 1 13 . 1 1 8 8 VAL C C 13 175.44 0.05 . 1 . . . . . . . . 5511 1 14 . 1 1 8 8 VAL N N 15 127.84 0.05 . 1 . . . . . . . . 5511 1 15 . 1 1 10 10 GLY H H 1 6.46 0.02 . 1 . . . . . . . . 5511 1 16 . 1 1 10 10 GLY C C 13 175.77 0.05 . 1 . . . . . . . . 5511 1 17 . 1 1 10 10 GLY CA C 13 42.35 0.05 . 1 . . . . . . . . 5511 1 18 . 1 1 10 10 GLY N N 15 107.69 0.05 . 1 . . . . . . . . 5511 1 19 . 1 1 11 11 ASP H H 1 8.41 0.02 . 1 . . . . . . . . 5511 1 20 . 1 1 11 11 ASP C C 13 176.65 0.05 . 1 . . . . . . . . 5511 1 21 . 1 1 11 11 ASP CA C 13 53.75 0.05 . 1 . . . . . . . . 5511 1 22 . 1 1 11 11 ASP N N 15 120.56 0.05 . 1 . . . . . . . . 5511 1 23 . 1 1 12 12 GLY H H 1 8.95 0.02 . 1 . . . . . . . . 5511 1 24 . 1 1 12 12 GLY C C 13 171.62 0.05 . 1 . . . . . . . . 5511 1 25 . 1 1 12 12 GLY CA C 13 45.09 0.05 . 1 . . . . . . . . 5511 1 26 . 1 1 12 12 GLY N N 15 106.65 0.05 . 1 . . . . . . . . 5511 1 27 . 1 1 13 13 ALA H H 1 10.57 0.02 . 1 . . . . . . . . 5511 1 28 . 1 1 13 13 ALA C C 13 175.12 0.05 . 1 . . . . . . . . 5511 1 29 . 1 1 13 13 ALA CA C 13 51.47 0.05 . 1 . . . . . . . . 5511 1 30 . 1 1 13 13 ALA N N 15 124.69 0.05 . 1 . . . . . . . . 5511 1 31 . 1 1 15 15 GLY H H 1 8.72 0.02 . 1 . . . . . . . . 5511 1 32 . 1 1 15 15 GLY C C 13 175.34 0.05 . 1 . . . . . . . . 5511 1 33 . 1 1 15 15 GLY CA C 13 42.35 0.05 . 1 . . . . . . . . 5511 1 34 . 1 1 15 15 GLY N N 15 110.57 0.05 . 1 . . . . . . . . 5511 1 35 . 1 1 16 16 LYS H H 1 10.38 0.02 . 1 . . . . . . . . 5511 1 36 . 1 1 16 16 LYS C C 13 173.15 0.05 . 1 . . . . . . . . 5511 1 37 . 1 1 16 16 LYS CA C 13 58.08 0.05 . 1 . . . . . . . . 5511 1 38 . 1 1 16 16 LYS N N 15 127.10 0.05 . 1 . . . . . . . . 5511 1 39 . 1 1 17 17 THR H H 1 9.04 0.02 . 1 . . . . . . . . 5511 1 40 . 1 1 17 17 THR C C 13 172.49 0.05 . 1 . . . . . . . . 5511 1 41 . 1 1 17 17 THR N N 15 119.68 0.05 . 1 . . . . . . . . 5511 1 42 . 1 1 18 18 CYS H H 1 9.67 0.02 . 1 . . . . . . . . 5511 1 43 . 1 1 18 18 CYS C C 13 171.62 0.05 . 1 . . . . . . . . 5511 1 44 . 1 1 18 18 CYS CA C 13 63.55 0.05 . 1 . . . . . . . . 5511 1 45 . 1 1 18 18 CYS N N 15 120.65 0.05 . 1 . . . . . . . . 5511 1 46 . 1 1 19 19 LEU H H 1 7.22 0.02 . 1 . . . . . . . . 5511 1 47 . 1 1 19 19 LEU C C 13 169.10 0.05 . 1 . . . . . . . . 5511 1 48 . 1 1 19 19 LEU CA C 13 56.71 0.05 . 1 . . . . . . . . 5511 1 49 . 1 1 19 19 LEU N N 15 118.41 0.05 . 1 . . . . . . . . 5511 1 50 . 1 1 20 20 LEU H H 1 7.85 0.02 . 1 . . . . . . . . 5511 1 51 . 1 1 20 20 LEU C C 13 169.65 0.05 . 1 . . . . . . . . 5511 1 52 . 1 1 20 20 LEU CA C 13 57.40 0.05 . 1 . . . . . . . . 5511 1 53 . 1 1 20 20 LEU N N 15 122.51 0.05 . 1 . . . . . . . . 5511 1 54 . 1 1 21 21 ILE H H 1 7.56 0.02 . 1 . . . . . . . . 5511 1 55 . 1 1 21 21 ILE C C 13 170.85 0.05 . 1 . . . . . . . . 5511 1 56 . 1 1 21 21 ILE CA C 13 58.31 0.05 . 1 . . . . . . . . 5511 1 57 . 1 1 21 21 ILE N N 15 109.89 0.05 . 1 . . . . . . . . 5511 1 58 . 1 1 24 24 THR H H 1 7.62 0.02 . 1 . . . . . . . . 5511 1 59 . 1 1 24 24 THR C C 13 172.16 0.05 . 1 . . . . . . . . 5511 1 60 . 1 1 24 24 THR CA C 13 62.19 0.05 . 1 . . . . . . . . 5511 1 61 . 1 1 24 24 THR N N 15 106.59 0.05 . 1 . . . . . . . . 5511 1 62 . 1 1 25 25 THR H H 1 8.09 0.02 . 1 . . . . . . . . 5511 1 63 . 1 1 25 25 THR C C 13 172.49 0.05 . 1 . . . . . . . . 5511 1 64 . 1 1 25 25 THR CA C 13 60.02 0.05 . 1 . . . . . . . . 5511 1 65 . 1 1 25 25 THR N N 15 111.16 0.05 . 1 . . . . . . . . 5511 1 66 . 1 1 26 26 ASN H H 1 7.57 0.02 . 1 . . . . . . . . 5511 1 67 . 1 1 26 26 ASN C C 13 174.02 0.05 . 1 . . . . . . . . 5511 1 68 . 1 1 26 26 ASN CA C 13 53.06 0.05 . 1 . . . . . . . . 5511 1 69 . 1 1 26 26 ASN N N 15 117.29 0.05 . 1 . . . . . . . . 5511 1 70 . 1 1 27 27 ALA H H 1 7.94 0.02 . 1 . . . . . . . . 5511 1 71 . 1 1 27 27 ALA C C 13 173.91 0.05 . 1 . . . . . . . . 5511 1 72 . 1 1 27 27 ALA CA C 13 53.52 0.05 . 1 . . . . . . . . 5511 1 73 . 1 1 27 27 ALA N N 15 125.25 0.05 . 1 . . . . . . . . 5511 1 74 . 1 1 28 28 PHE H H 1 8.40 0.02 . 1 . . . . . . . . 5511 1 75 . 1 1 28 28 PHE C C 13 174.89 0.05 . 1 . . . . . . . . 5511 1 76 . 1 1 28 28 PHE CA C 13 54.43 0.05 . 1 . . . . . . . . 5511 1 77 . 1 1 28 28 PHE N N 15 124.76 0.05 . 1 . . . . . . . . 5511 1 78 . 1 1 30 30 GLY H H 1 7.49 0.02 . 1 . . . . . . . . 5511 1 79 . 1 1 30 30 GLY C C 13 174.13 0.05 . 1 . . . . . . . . 5511 1 80 . 1 1 30 30 GLY CA C 13 42.81 0.05 . 1 . . . . . . . . 5511 1 81 . 1 1 30 30 GLY N N 15 109.34 0.05 . 1 . . . . . . . . 5511 1 82 . 1 1 31 31 GLU H H 1 8.47 0.02 . 1 . . . . . . . . 5511 1 83 . 1 1 31 31 GLU C C 13 175.88 0.05 . 1 . . . . . . . . 5511 1 84 . 1 1 31 31 GLU CA C 13 54.55 0.05 . 1 . . . . . . . . 5511 1 85 . 1 1 31 31 GLU N N 15 119.71 0.05 . 1 . . . . . . . . 5511 1 86 . 1 1 32 32 TYR H H 1 7.85 0.02 . 1 . . . . . . . . 5511 1 87 . 1 1 32 32 TYR C C 13 173.48 0.05 . 1 . . . . . . . . 5511 1 88 . 1 1 32 32 TYR CA C 13 55.57 0.05 . 1 . . . . . . . . 5511 1 89 . 1 1 32 32 TYR N N 15 120.50 0.05 . 1 . . . . . . . . 5511 1 90 . 1 1 33 33 ILE H H 1 7.77 0.02 . 1 . . . . . . . . 5511 1 91 . 1 1 33 33 ILE C C 13 175.56 0.05 . 1 . . . . . . . . 5511 1 92 . 1 1 33 33 ILE CA C 13 55.80 0.05 . 1 . . . . . . . . 5511 1 93 . 1 1 33 33 ILE N N 15 127.22 0.05 . 1 . . . . . . . . 5511 1 94 . 1 1 40 40 TYR H H 1 7.89 0.02 . 1 . . . . . . . . 5511 1 95 . 1 1 40 40 TYR C C 13 171.62 0.05 . 1 . . . . . . . . 5511 1 96 . 1 1 40 40 TYR CA C 13 50.79 0.05 . 1 . . . . . . . . 5511 1 97 . 1 1 40 40 TYR N N 15 118.35 0.05 . 1 . . . . . . . . 5511 1 98 . 1 1 41 41 SER H H 1 7.98 0.02 . 1 . . . . . . . . 5511 1 99 . 1 1 41 41 SER C C 13 175.99 0.05 . 1 . . . . . . . . 5511 1 100 . 1 1 41 41 SER CA C 13 51.24 0.05 . 1 . . . . . . . . 5511 1 101 . 1 1 41 41 SER N N 15 116.74 0.05 . 1 . . . . . . . . 5511 1 102 . 1 1 42 42 ALA H H 1 8.55 0.02 . 1 . . . . . . . . 5511 1 103 . 1 1 42 42 ALA C C 13 175.23 0.05 . 1 . . . . . . . . 5511 1 104 . 1 1 42 42 ALA CA C 13 54.77 0.05 . 1 . . . . . . . . 5511 1 105 . 1 1 42 42 ALA N N 15 129.11 0.05 . 1 . . . . . . . . 5511 1 106 . 1 1 43 43 ASN H H 1 8.82 0.02 . 1 . . . . . . . . 5511 1 107 . 1 1 43 43 ASN C C 13 172.71 0.05 . 1 . . . . . . . . 5511 1 108 . 1 1 43 43 ASN CA C 13 54.32 0.05 . 1 . . . . . . . . 5511 1 109 . 1 1 43 43 ASN N N 15 119.15 0.05 . 1 . . . . . . . . 5511 1 110 . 1 1 45 45 MET H H 1 8.52 0.02 . 1 . . . . . . . . 5511 1 111 . 1 1 45 45 MET C C 13 174.24 0.05 . 1 . . . . . . . . 5511 1 112 . 1 1 45 45 MET CA C 13 51.70 0.05 . 1 . . . . . . . . 5511 1 113 . 1 1 45 45 MET N N 15 125.63 0.05 . 1 . . . . . . . . 5511 1 114 . 1 1 46 46 VAL H H 1 8.72 0.02 . 1 . . . . . . . . 5511 1 115 . 1 1 46 46 VAL C C 13 173.26 0.05 . 1 . . . . . . . . 5511 1 116 . 1 1 46 46 VAL CA C 13 59.45 0.05 . 1 . . . . . . . . 5511 1 117 . 1 1 46 46 VAL N N 15 126.89 0.05 . 1 . . . . . . . . 5511 1 118 . 1 1 47 47 ASP H H 1 9.28 0.02 . 1 . . . . . . . . 5511 1 119 . 1 1 47 47 ASP C C 13 174.13 0.05 . 1 . . . . . . . . 5511 1 120 . 1 1 47 47 ASP CA C 13 53.18 0.05 . 1 . . . . . . . . 5511 1 121 . 1 1 47 47 ASP N N 15 128.31 0.05 . 1 . . . . . . . . 5511 1 122 . 1 1 48 48 GLY H H 1 8.48 0.02 . 1 . . . . . . . . 5511 1 123 . 1 1 48 48 GLY C C 13 173.15 0.05 . 1 . . . . . . . . 5511 1 124 . 1 1 48 48 GLY CA C 13 43.27 0.05 . 1 . . . . . . . . 5511 1 125 . 1 1 48 48 GLY N N 15 103.34 0.05 . 1 . . . . . . . . 5511 1 126 . 1 1 49 49 LYS H H 1 7.97 0.02 . 1 . . . . . . . . 5511 1 127 . 1 1 49 49 LYS C C 13 175.56 0.05 . 1 . . . . . . . . 5511 1 128 . 1 1 49 49 LYS CA C 13 50.56 0.05 . 1 . . . . . . . . 5511 1 129 . 1 1 49 49 LYS N N 15 123.24 0.05 . 1 . . . . . . . . 5511 1 130 . 1 1 51 51 VAL H H 1 9.02 0.02 . 1 . . . . . . . . 5511 1 131 . 1 1 51 51 VAL C C 13 172.60 0.05 . 1 . . . . . . . . 5511 1 132 . 1 1 51 51 VAL CA C 13 60.36 0.05 . 1 . . . . . . . . 5511 1 133 . 1 1 51 51 VAL N N 15 122.92 0.05 . 1 . . . . . . . . 5511 1 134 . 1 1 52 52 ASN H H 1 8.65 0.02 . 1 . . . . . . . . 5511 1 135 . 1 1 52 52 ASN C C 13 175.12 0.05 . 1 . . . . . . . . 5511 1 136 . 1 1 52 52 ASN CA C 13 50.22 0.05 . 1 . . . . . . . . 5511 1 137 . 1 1 52 52 ASN N N 15 124.81 0.05 . 1 . . . . . . . . 5511 1 138 . 1 1 53 53 LEU H H 1 9.13 0.02 . 1 . . . . . . . . 5511 1 139 . 1 1 53 53 LEU C C 13 175.99 0.05 . 1 . . . . . . . . 5511 1 140 . 1 1 53 53 LEU CA C 13 51.93 0.05 . 1 . . . . . . . . 5511 1 141 . 1 1 53 53 LEU N N 15 130.78 0.05 . 1 . . . . . . . . 5511 1 142 . 1 1 54 54 GLY H H 1 9.55 0.02 . 1 . . . . . . . . 5511 1 143 . 1 1 54 54 GLY C C 13 175.22 0.05 . 1 . . . . . . . . 5511 1 144 . 1 1 54 54 GLY CA C 13 43.04 0.05 . 1 . . . . . . . . 5511 1 145 . 1 1 54 54 GLY N N 15 117.64 0.05 . 1 . . . . . . . . 5511 1 146 . 1 1 55 55 LEU H H 1 8.78 0.02 . 1 . . . . . . . . 5511 1 147 . 1 1 55 55 LEU C C 13 176.65 0.05 . 1 . . . . . . . . 5511 1 148 . 1 1 55 55 LEU CA C 13 51.70 0.05 . 1 . . . . . . . . 5511 1 149 . 1 1 55 55 LEU N N 15 126.66 0.05 . 1 . . . . . . . . 5511 1 150 . 1 1 56 56 TRP H H 1 8.78 0.02 . 1 . . . . . . . . 5511 1 151 . 1 1 56 56 TRP C C 13 174.57 0.05 . 1 . . . . . . . . 5511 1 152 . 1 1 56 56 TRP CA C 13 54.89 0.05 . 1 . . . . . . . . 5511 1 153 . 1 1 56 56 TRP N N 15 124.62 0.05 . 1 . . . . . . . . 5511 1 154 . 1 1 57 57 ASP H H 1 8.81 0.02 . 1 . . . . . . . . 5511 1 155 . 1 1 57 57 ASP C C 13 175.45 0.05 . 1 . . . . . . . . 5511 1 156 . 1 1 57 57 ASP CA C 13 54.09 0.05 . 1 . . . . . . . . 5511 1 157 . 1 1 57 57 ASP N N 15 125.12 0.05 . 1 . . . . . . . . 5511 1 158 . 1 1 64 64 TYR H H 1 8.05 0.02 . 1 . . . . . . . . 5511 1 159 . 1 1 64 64 TYR C C 13 172.27 0.05 . 1 . . . . . . . . 5511 1 160 . 1 1 64 64 TYR CA C 13 59.67 0.05 . 1 . . . . . . . . 5511 1 161 . 1 1 64 64 TYR N N 15 118.32 0.05 . 1 . . . . . . . . 5511 1 162 . 1 1 65 65 ASP H H 1 8.17 0.02 . 1 . . . . . . . . 5511 1 163 . 1 1 65 65 ASP C C 13 172.38 0.05 . 1 . . . . . . . . 5511 1 164 . 1 1 65 65 ASP CA C 13 55.69 0.05 . 1 . . . . . . . . 5511 1 165 . 1 1 65 65 ASP N N 15 121.68 0.05 . 1 . . . . . . . . 5511 1 166 . 1 1 66 66 ARG H H 1 8.72 0.02 . 1 . . . . . . . . 5511 1 167 . 1 1 66 66 ARG C C 13 172.27 0.05 . 1 . . . . . . . . 5511 1 168 . 1 1 66 66 ARG CA C 13 50.79 0.05 . 1 . . . . . . . . 5511 1 169 . 1 1 66 66 ARG N N 15 113.34 0.05 . 1 . . . . . . . . 5511 1 170 . 1 1 67 67 LEU H H 1 8.97 0.02 . 1 . . . . . . . . 5511 1 171 . 1 1 67 67 LEU C C 13 174.79 0.05 . 1 . . . . . . . . 5511 1 172 . 1 1 67 67 LEU CA C 13 58.31 0.05 . 1 . . . . . . . . 5511 1 173 . 1 1 67 67 LEU N N 15 123.77 0.05 . 1 . . . . . . . . 5511 1 174 . 1 1 68 68 ARG H H 1 8.92 0.02 . 1 . . . . . . . . 5511 1 175 . 1 1 68 68 ARG C C 13 173.15 0.05 . 1 . . . . . . . . 5511 1 176 . 1 1 68 68 ARG N N 15 115.72 0.05 . 1 . . . . . . . . 5511 1 177 . 1 1 70 70 LEU H H 1 7.74 0.02 . 1 . . . . . . . . 5511 1 178 . 1 1 70 70 LEU C C 13 168.33 0.05 . 1 . . . . . . . . 5511 1 179 . 1 1 70 70 LEU CA C 13 55.12 0.05 . 1 . . . . . . . . 5511 1 180 . 1 1 70 70 LEU N N 15 121.91 0.05 . 1 . . . . . . . . 5511 1 181 . 1 1 71 71 SER H H 1 7.79 0.02 . 1 . . . . . . . . 5511 1 182 . 1 1 71 71 SER C C 13 175.44 0.05 . 1 . . . . . . . . 5511 1 183 . 1 1 71 71 SER N N 15 113.19 0.05 . 1 . . . . . . . . 5511 1 184 . 1 1 72 72 TYR H H 1 7.28 0.02 . 1 . . . . . . . . 5511 1 185 . 1 1 72 72 TYR C C 13 175.12 0.05 . 1 . . . . . . . . 5511 1 186 . 1 1 72 72 TYR CA C 13 54.67 0.05 . 1 . . . . . . . . 5511 1 187 . 1 1 72 72 TYR N N 15 121.15 0.05 . 1 . . . . . . . . 5511 1 188 . 1 1 78 78 PHE H H 1 8.49 0.02 . 1 . . . . . . . . 5511 1 189 . 1 1 78 78 PHE C C 13 175.00 0.05 . 1 . . . . . . . . 5511 1 190 . 1 1 78 78 PHE CA C 13 54.89 0.05 . 1 . . . . . . . . 5511 1 191 . 1 1 78 78 PHE N N 15 124.41 0.05 . 1 . . . . . . . . 5511 1 192 . 1 1 79 79 LEU H H 1 8.31 0.02 . 1 . . . . . . . . 5511 1 193 . 1 1 79 79 LEU C C 13 170.08 0.05 . 1 . . . . . . . . 5511 1 194 . 1 1 79 79 LEU CA C 13 55.80 0.05 . 1 . . . . . . . . 5511 1 195 . 1 1 79 79 LEU N N 15 117.09 0.05 . 1 . . . . . . . . 5511 1 196 . 1 1 82 82 PHE H H 1 8.83 0.02 . 1 . . . . . . . . 5511 1 197 . 1 1 82 82 PHE C C 13 175.34 0.05 . 1 . . . . . . . . 5511 1 198 . 1 1 82 82 PHE CA C 13 54.89 0.05 . 1 . . . . . . . . 5511 1 199 . 1 1 82 82 PHE N N 15 124.41 0.05 . 1 . . . . . . . . 5511 1 200 . 1 1 83 83 SER H H 1 8.19 0.02 . 1 . . . . . . . . 5511 1 201 . 1 1 83 83 SER C C 13 178.39 0.05 . 1 . . . . . . . . 5511 1 202 . 1 1 83 83 SER N N 15 114.59 0.05 . 1 . . . . . . . . 5511 1 203 . 1 1 84 84 LEU H H 1 8.85 0.02 . 1 . . . . . . . . 5511 1 204 . 1 1 84 84 LEU CA C 13 55.23 0.05 . 1 . . . . . . . . 5511 1 205 . 1 1 84 84 LEU N N 15 129.68 0.05 . 1 . . . . . . . . 5511 1 206 . 1 1 85 85 VAL H H 1 7.45 0.02 . 1 . . . . . . . . 5511 1 207 . 1 1 85 85 VAL C C 13 172.71 0.05 . 1 . . . . . . . . 5511 1 208 . 1 1 85 85 VAL CA C 13 56.94 0.05 . 1 . . . . . . . . 5511 1 209 . 1 1 85 85 VAL N N 15 104.39 0.05 . 1 . . . . . . . . 5511 1 210 . 1 1 86 86 SER H H 1 7.74 0.02 . 1 . . . . . . . . 5511 1 211 . 1 1 86 86 SER C C 13 175.45 0.05 . 1 . . . . . . . . 5511 1 212 . 1 1 86 86 SER CA C 13 51.93 0.05 . 1 . . . . . . . . 5511 1 213 . 1 1 86 86 SER N N 15 113.19 0.05 . 1 . . . . . . . . 5511 1 214 . 1 1 89 89 SER H H 1 8.89 0.02 . 1 . . . . . . . . 5511 1 215 . 1 1 89 89 SER C C 13 169.87 0.05 . 1 . . . . . . . . 5511 1 216 . 1 1 89 89 SER CA C 13 59.22 0.05 . 1 . . . . . . . . 5511 1 217 . 1 1 89 89 SER N N 15 120.04 0.05 . 1 . . . . . . . . 5511 1 218 . 1 1 90 90 PHE H H 1 7.43 0.02 . 1 . . . . . . . . 5511 1 219 . 1 1 90 90 PHE C C 13 173.04 0.05 . 1 . . . . . . . . 5511 1 220 . 1 1 90 90 PHE CA C 13 57.17 0.05 . 1 . . . . . . . . 5511 1 221 . 1 1 90 90 PHE N N 15 126.37 0.05 . 1 . . . . . . . . 5511 1 222 . 1 1 91 91 GLU H H 1 8.26 0.02 . 1 . . . . . . . . 5511 1 223 . 1 1 91 91 GLU C C 13 171.72 0.05 . 1 . . . . . . . . 5511 1 224 . 1 1 91 91 GLU CA C 13 56.72 0.05 . 1 . . . . . . . . 5511 1 225 . 1 1 91 91 GLU N N 15 120.59 0.05 . 1 . . . . . . . . 5511 1 226 . 1 1 92 92 ASN H H 1 7.88 0.02 . 1 . . . . . . . . 5511 1 227 . 1 1 92 92 ASN C C 13 169.21 0.05 . 1 . . . . . . . . 5511 1 228 . 1 1 92 92 ASN CA C 13 52.38 0.05 . 1 . . . . . . . . 5511 1 229 . 1 1 92 92 ASN N N 15 115.55 0.05 . 1 . . . . . . . . 5511 1 230 . 1 1 93 93 VAL H H 1 8.11 0.02 . 1 . . . . . . . . 5511 1 231 . 1 1 93 93 VAL C C 13 170.74 0.05 . 1 . . . . . . . . 5511 1 232 . 1 1 93 93 VAL CA C 13 66.51 0.05 . 1 . . . . . . . . 5511 1 233 . 1 1 93 93 VAL N N 15 125.83 0.05 . 1 . . . . . . . . 5511 1 234 . 1 1 94 94 ARG H H 1 6.38 0.02 . 1 . . . . . . . . 5511 1 235 . 1 1 94 94 ARG C C 13 174.02 0.05 . 1 . . . . . . . . 5511 1 236 . 1 1 94 94 ARG CA C 13 55.80 0.05 . 1 . . . . . . . . 5511 1 237 . 1 1 94 94 ARG N N 15 116.29 0.05 . 1 . . . . . . . . 5511 1 238 . 1 1 95 95 ALA H H 1 7.89 0.02 . 1 . . . . . . . . 5511 1 239 . 1 1 95 95 ALA C C 13 172.27 0.05 . 1 . . . . . . . . 5511 1 240 . 1 1 95 95 ALA CA C 13 51.93 0.05 . 1 . . . . . . . . 5511 1 241 . 1 1 95 95 ALA N N 15 118.38 0.05 . 1 . . . . . . . . 5511 1 242 . 1 1 96 96 LYS H H 1 7.89 0.05 . 1 . . . . . . . . 5511 1 243 . 1 1 96 96 LYS C C 13 171.72 0.05 . 1 . . . . . . . . 5511 1 244 . 1 1 96 96 LYS CA C 13 51.01 0.05 . 1 . . . . . . . . 5511 1 245 . 1 1 96 96 LYS N N 15 115.75 0.05 . 1 . . . . . . . . 5511 1 246 . 1 1 98 98 TYR H H 1 9.11 0.02 . 1 . . . . . . . . 5511 1 247 . 1 1 98 98 TYR C C 13 172.71 0.05 . 1 . . . . . . . . 5511 1 248 . 1 1 98 98 TYR CA C 13 59.45 0.05 . 1 . . . . . . . . 5511 1 249 . 1 1 98 98 TYR N N 15 118.61 0.05 . 1 . . . . . . . . 5511 1 250 . 1 1 101 101 VAL H H 1 8.84 0.02 . 1 . . . . . . . . 5511 1 251 . 1 1 101 101 VAL C C 13 174.78 0.05 . 1 . . . . . . . . 5511 1 252 . 1 1 101 101 VAL CA C 13 54.21 0.05 . 1 . . . . . . . . 5511 1 253 . 1 1 101 101 VAL N N 15 118.67 0.05 . 1 . . . . . . . . 5511 1 254 . 1 1 102 102 ARG H H 1 7.03 0.02 . 1 . . . . . . . . 5511 1 255 . 1 1 102 102 ARG C C 13 173.69 0.05 . 1 . . . . . . . . 5511 1 256 . 1 1 102 102 ARG CA C 13 60.14 0.05 . 1 . . . . . . . . 5511 1 257 . 1 1 102 102 ARG N N 15 121.82 0.05 . 1 . . . . . . . . 5511 1 258 . 1 1 110 110 ILE H H 1 8.59 0.02 . 1 . . . . . . . . 5511 1 259 . 1 1 110 110 ILE CA C 13 57.40 0.05 . 1 . . . . . . . . 5511 1 260 . 1 1 110 110 ILE N N 15 120.0 0.05 . 1 . . . . . . . . 5511 1 261 . 1 1 111 111 ILE H H 1 9.01 0.02 . 1 . . . . . . . . 5511 1 262 . 1 1 111 111 ILE CA C 13 56.94 0.05 . 1 . . . . . . . . 5511 1 263 . 1 1 111 111 ILE N N 15 127.39 0.05 . 1 . . . . . . . . 5511 1 264 . 1 1 112 112 LEU H H 1 8.29 0.02 . 1 . . . . . . . . 5511 1 265 . 1 1 112 112 LEU C C 13 175.34 0.05 . 1 . . . . . . . . 5511 1 266 . 1 1 112 112 LEU CA C 13 51.47 0.05 . 1 . . . . . . . . 5511 1 267 . 1 1 112 112 LEU N N 15 130.81 0.05 . 1 . . . . . . . . 5511 1 268 . 1 1 113 113 VAL H H 1 9.25 0.02 . 1 . . . . . . . . 5511 1 269 . 1 1 113 113 VAL C C 13 176.10 0.05 . 1 . . . . . . . . 5511 1 270 . 1 1 113 113 VAL CA C 13 58.08 0.05 . 1 . . . . . . . . 5511 1 271 . 1 1 113 113 VAL N N 15 128.93 0.05 . 1 . . . . . . . . 5511 1 272 . 1 1 114 114 GLY H H 1 8.81 0.02 . 1 . . . . . . . . 5511 1 273 . 1 1 114 114 GLY C C 13 174.89 0.05 . 1 . . . . . . . . 5511 1 274 . 1 1 114 114 GLY CA C 13 42.35 0.05 . 1 . . . . . . . . 5511 1 275 . 1 1 114 114 GLY N N 15 114.90 0.05 . 1 . . . . . . . . 5511 1 276 . 1 1 115 115 THR H H 1 9.16 0.02 . 1 . . . . . . . . 5511 1 277 . 1 1 115 115 THR C C 13 176.32 0.05 . 1 . . . . . . . . 5511 1 278 . 1 1 115 115 THR CA C 13 57.96 0.05 . 1 . . . . . . . . 5511 1 279 . 1 1 115 115 THR N N 15 117.64 0.05 . 1 . . . . . . . . 5511 1 280 . 1 1 116 116 LYS H H 1 9.09 0.02 . 1 . . . . . . . . 5511 1 281 . 1 1 116 116 LYS C C 13 174.02 0.05 . 1 . . . . . . . . 5511 1 282 . 1 1 116 116 LYS CA C 13 57.96 0.05 . 1 . . . . . . . . 5511 1 283 . 1 1 116 116 LYS N N 15 109.48 0.05 . 1 . . . . . . . . 5511 1 284 . 1 1 117 117 LEU H H 1 7.83 0.02 . 1 . . . . . . . . 5511 1 285 . 1 1 117 117 LEU C C 13 170.52 0.05 . 1 . . . . . . . . 5511 1 286 . 1 1 117 117 LEU CA C 13 58.53 0.05 . 1 . . . . . . . . 5511 1 287 . 1 1 117 117 LEU N N 15 117.97 0.05 . 1 . . . . . . . . 5511 1 288 . 1 1 118 118 ASP H H 1 8.47 0.02 . 1 . . . . . . . . 5511 1 289 . 1 1 118 118 ASP C C 13 171.07 0.05 . 1 . . . . . . . . 5511 1 290 . 1 1 118 118 ASP CA C 13 55.80 0.05 . 1 . . . . . . . . 5511 1 291 . 1 1 118 118 ASP N N 15 119.26 0.05 . 1 . . . . . . . . 5511 1 292 . 1 1 119 119 LEU H H 1 8.08 0.02 . 1 . . . . . . . . 5511 1 293 . 1 1 119 119 LEU C C 13 174.02 0.05 . 1 . . . . . . . . 5511 1 294 . 1 1 119 119 LEU CA C 13 65.83 0.05 . 1 . . . . . . . . 5511 1 295 . 1 1 119 119 LEU N N 15 118.92 0.05 . 1 . . . . . . . . 5511 1 296 . 1 1 120 120 ARG H H 1 7.18 0.02 . 1 . . . . . . . . 5511 1 297 . 1 1 120 120 ARG C C 13 171.18 0.05 . 1 . . . . . . . . 5511 1 298 . 1 1 120 120 ARG CA C 13 58.31 0.05 . 1 . . . . . . . . 5511 1 299 . 1 1 120 120 ARG N N 15 119.71 0.05 . 1 . . . . . . . . 5511 1 300 . 1 1 121 121 ASP H H 1 7.30 0.02 . 1 . . . . . . . . 5511 1 301 . 1 1 121 121 ASP C C 13 175.01 0.05 . 1 . . . . . . . . 5511 1 302 . 1 1 121 121 ASP CA C 13 50.56 0.05 . 1 . . . . . . . . 5511 1 303 . 1 1 121 121 ASP N N 15 112.90 0.05 . 1 . . . . . . . . 5511 1 304 . 1 1 122 122 ASP H H 1 7.19 0.02 . 1 . . . . . . . . 5511 1 305 . 1 1 122 122 ASP C C 13 173.69 0.05 . 1 . . . . . . . . 5511 1 306 . 1 1 122 122 ASP CA C 13 51.93 0.05 . 1 . . . . . . . . 5511 1 307 . 1 1 122 122 ASP N N 15 122.89 0.05 . 1 . . . . . . . . 5511 1 308 . 1 1 123 123 LYS H H 1 8.83 0.02 . 1 . . . . . . . . 5511 1 309 . 1 1 123 123 LYS C C 13 174.35 0.05 . 1 . . . . . . . . 5511 1 310 . 1 1 123 123 LYS CA C 13 58.31 0.05 . 1 . . . . . . . . 5511 1 311 . 1 1 123 123 LYS N N 15 130.37 0.05 . 1 . . . . . . . . 5511 1 312 . 1 1 124 124 ASP H H 1 8.52 0.02 . 1 . . . . . . . . 5511 1 313 . 1 1 124 124 ASP C C 13 171.62 0.05 . 1 . . . . . . . . 5511 1 314 . 1 1 124 124 ASP CA C 13 53.41 0.05 . 1 . . . . . . . . 5511 1 315 . 1 1 124 124 ASP N N 15 113.37 0.05 . 1 . . . . . . . . 5511 1 316 . 1 1 125 125 THR H H 1 7.70 0.02 . 1 . . . . . . . . 5511 1 317 . 1 1 125 125 THR C C 13 176.21 0.05 . 1 . . . . . . . . 5511 1 318 . 1 1 125 125 THR CA C 13 54.21 0.05 . 1 . . . . . . . . 5511 1 319 . 1 1 125 125 THR N N 15 121.68 0.05 . 1 . . . . . . . . 5511 1 320 . 1 1 126 126 ILE H H 1 8.17 0.02 . 1 . . . . . . . . 5511 1 321 . 1 1 126 126 ILE C C 13 172.38 0.05 . 1 . . . . . . . . 5511 1 322 . 1 1 126 126 ILE CA C 13 53.30 0.05 . 1 . . . . . . . . 5511 1 323 . 1 1 126 126 ILE N N 15 121.65 0.05 . 1 . . . . . . . . 5511 1 324 . 1 1 127 127 GLU H H 1 8.38 0.02 . 1 . . . . . . . . 5511 1 325 . 1 1 127 127 GLU C C 13 169.97 0.05 . 1 . . . . . . . . 5511 1 326 . 1 1 127 127 GLU CA C 13 57.40 0.05 . 1 . . . . . . . . 5511 1 327 . 1 1 127 127 GLU N N 15 121.36 0.05 . 1 . . . . . . . . 5511 1 328 . 1 1 128 128 LYS H H 1 8.05 0.02 . 1 . . . . . . . . 5511 1 329 . 1 1 128 128 LYS C C 13 170.19 0.05 . 1 . . . . . . . . 5511 1 330 . 1 1 128 128 LYS CA C 13 57.96 0.05 . 1 . . . . . . . . 5511 1 331 . 1 1 128 128 LYS N N 15 121.71 0.05 . 1 . . . . . . . . 5511 1 332 . 1 1 129 129 LEU H H 1 7.92 0.02 . 1 . . . . . . . . 5511 1 333 . 1 1 129 129 LEU C C 13 174.02 0.05 . 1 . . . . . . . . 5511 1 334 . 1 1 129 129 LEU CA C 13 51.01 0.05 . 1 . . . . . . . . 5511 1 335 . 1 1 129 129 LEU N N 15 119.17 0.05 . 1 . . . . . . . . 5511 1 336 . 1 1 130 130 LYS H H 1 8.36 0.02 . 1 . . . . . . . . 5511 1 337 . 1 1 130 130 LYS C C 13 169.65 0.05 . 1 . . . . . . . . 5511 1 338 . 1 1 130 130 LYS CA C 13 57.62 0.05 . 1 . . . . . . . . 5511 1 339 . 1 1 130 130 LYS N N 15 122.42 0.05 . 1 . . . . . . . . 5511 1 340 . 1 1 131 131 GLU H H 1 7.78 0.02 . 1 . . . . . . . . 5511 1 341 . 1 1 131 131 GLU C C 13 168.55 0.05 . 1 . . . . . . . . 5511 1 342 . 1 1 131 131 GLU CA C 13 57.17 0.05 . 1 . . . . . . . . 5511 1 343 . 1 1 131 131 GLU N N 15 121.47 0.05 . 1 . . . . . . . . 5511 1 344 . 1 1 132 132 LYS H H 1 7.29 0.02 . 1 . . . . . . . . 5511 1 345 . 1 1 132 132 LYS C C 13 171.62 0.05 . 1 . . . . . . . . 5511 1 346 . 1 1 132 132 LYS CA C 13 52.84 0.05 . 1 . . . . . . . . 5511 1 347 . 1 1 132 132 LYS N N 15 117.82 0.05 . 1 . . . . . . . . 5511 1 348 . 1 1 133 133 LYS H H 1 8.09 0.02 . 1 . . . . . . . . 5511 1 349 . 1 1 133 133 LYS C C 13 174.68 0.05 . 1 . . . . . . . . 5511 1 350 . 1 1 133 133 LYS CA C 13 55.12 0.05 . 1 . . . . . . . . 5511 1 351 . 1 1 133 133 LYS N N 15 115.25 0.05 . 1 . . . . . . . . 5511 1 352 . 1 1 134 134 LEU H H 1 8.14 0.02 . 1 . . . . . . . . 5511 1 353 . 1 1 134 134 LEU C C 13 175.33 0.05 . 1 . . . . . . . . 5511 1 354 . 1 1 134 134 LEU CA C 13 51.13 0.05 . 1 . . . . . . . . 5511 1 355 . 1 1 134 134 LEU N N 15 121.07 0.05 . 1 . . . . . . . . 5511 1 356 . 1 1 135 135 THR H H 1 7.82 0.02 . 1 . . . . . . . . 5511 1 357 . 1 1 135 135 THR C C 13 172.93 0.05 . 1 . . . . . . . . 5511 1 358 . 1 1 135 135 THR CA C 13 56.83 0.05 . 1 . . . . . . . . 5511 1 359 . 1 1 135 135 THR N N 15 113.99 0.05 . 1 . . . . . . . . 5511 1 360 . 1 1 137 137 ILE H H 1 8.75 0.02 . 1 . . . . . . . . 5511 1 361 . 1 1 137 137 ILE C C 13 174.13 0.05 . 1 . . . . . . . . 5511 1 362 . 1 1 137 137 ILE CA C 13 57.62 0.05 . 1 . . . . . . . . 5511 1 363 . 1 1 137 137 ILE N N 15 123.83 0.05 . 1 . . . . . . . . 5511 1 364 . 1 1 138 138 THR H H 1 7.76 0.02 . 1 . . . . . . . . 5511 1 365 . 1 1 138 138 THR C C 13 171.51 0.05 . 1 . . . . . . . . 5511 1 366 . 1 1 138 138 THR CA C 13 51.93 0.05 . 1 . . . . . . . . 5511 1 367 . 1 1 138 138 THR N N 15 119.47 0.05 . 1 . . . . . . . . 5511 1 368 . 1 1 139 139 TYR H H 1 8.11 0.02 . 1 . . . . . . . . 5511 1 369 . 1 1 139 139 TYR C C 13 176.21 0.05 . 1 . . . . . . . . 5511 1 370 . 1 1 139 139 TYR CA C 13 53.29 0.05 . 1 . . . . . . . . 5511 1 371 . 1 1 139 139 TYR N N 15 123.30 0.05 . 1 . . . . . . . . 5511 1 372 . 1 1 141 141 GLN H H 1 7.46 0.02 . 1 . . . . . . . . 5511 1 373 . 1 1 141 141 GLN C C 13 174.35 0.05 . 1 . . . . . . . . 5511 1 374 . 1 1 141 141 GLN CA C 13 58.31 0.05 . 1 . . . . . . . . 5511 1 375 . 1 1 141 141 GLN N N 15 118.21 0.05 . 1 . . . . . . . . 5511 1 376 . 1 1 142 142 GLY H H 1 7.37 0.02 . 1 . . . . . . . . 5511 1 377 . 1 1 142 142 GLY C C 13 175.00 0.05 . 1 . . . . . . . . 5511 1 378 . 1 1 142 142 GLY CA C 13 44.41 0.05 . 1 . . . . . . . . 5511 1 379 . 1 1 142 142 GLY N N 15 109.72 0.05 . 1 . . . . . . . . 5511 1 380 . 1 1 143 143 LEU H H 1 8.43 0.02 . 1 . . . . . . . . 5511 1 381 . 1 1 143 143 LEU C C 13 170.19 0.05 . 1 . . . . . . . . 5511 1 382 . 1 1 143 143 LEU CA C 13 53.75 0.05 . 1 . . . . . . . . 5511 1 383 . 1 1 143 143 LEU N N 15 121.10 0.05 . 1 . . . . . . . . 5511 1 384 . 1 1 144 144 ALA H H 1 7.70 0.02 . 1 . . . . . . . . 5511 1 385 . 1 1 144 144 ALA C C 13 176.21 0.05 . 1 . . . . . . . . 5511 1 386 . 1 1 144 144 ALA CA C 13 54.89 0.05 . 1 . . . . . . . . 5511 1 387 . 1 1 144 144 ALA N N 15 121.71 0.05 . 1 . . . . . . . . 5511 1 388 . 1 1 145 145 MET H H 1 7.99 0.02 . 1 . . . . . . . . 5511 1 389 . 1 1 145 145 MET C C 13 175.99 0.05 . 1 . . . . . . . . 5511 1 390 . 1 1 145 145 MET CA C 13 59.11 0.05 . 1 . . . . . . . . 5511 1 391 . 1 1 145 145 MET N N 15 116.52 0.05 . 1 . . . . . . . . 5511 1 392 . 1 1 146 146 ALA H H 1 8.17 0.02 . 1 . . . . . . . . 5511 1 393 . 1 1 146 146 ALA C C 13 172.38 0.05 . 1 . . . . . . . . 5511 1 394 . 1 1 146 146 ALA CA C 13 60.25 0.05 . 1 . . . . . . . . 5511 1 395 . 1 1 146 146 ALA N N 15 121.68 0.05 . 1 . . . . . . . . 5511 1 396 . 1 1 147 147 LYS H H 1 9.16 0.02 . 1 . . . . . . . . 5511 1 397 . 1 1 147 147 LYS C C 13 172.16 0.05 . 1 . . . . . . . . 5511 1 398 . 1 1 147 147 LYS N N 15 116.23 0.05 . 1 . . . . . . . . 5511 1 399 . 1 1 149 149 ILE H H 1 8.51 0.02 . 1 . . . . . . . . 5511 1 400 . 1 1 149 149 ILE C C 13 172.82 0.05 . 1 . . . . . . . . 5511 1 401 . 1 1 149 149 ILE CA C 13 56.83 0.05 . 1 . . . . . . . . 5511 1 402 . 1 1 149 149 ILE N N 15 123.09 0.05 . 1 . . . . . . . . 5511 1 403 . 1 1 150 150 GLY H H 1 8.17 0.02 . 1 . . . . . . . . 5511 1 404 . 1 1 150 150 GLY C C 13 169.76 0.05 . 1 . . . . . . . . 5511 1 405 . 1 1 150 150 GLY CA C 13 44.41 0.05 . 1 . . . . . . . . 5511 1 406 . 1 1 150 150 GLY N N 15 111.95 0.05 . 1 . . . . . . . . 5511 1 407 . 1 1 151 151 ALA H H 1 8.56 0.02 . 1 . . . . . . . . 5511 1 408 . 1 1 151 151 ALA C C 13 173.15 0.05 . 1 . . . . . . . . 5511 1 409 . 1 1 151 151 ALA CA C 13 49.87 0.05 . 1 . . . . . . . . 5511 1 410 . 1 1 151 151 ALA N N 15 123.39 0.05 . 1 . . . . . . . . 5511 1 411 . 1 1 152 152 VAL H H 1 9.07 0.02 . 1 . . . . . . . . 5511 1 412 . 1 1 152 152 VAL C C 13 171.51 0.05 . 1 . . . . . . . . 5511 1 413 . 1 1 152 152 VAL CA C 13 62.18 0.05 . 1 . . . . . . . . 5511 1 414 . 1 1 152 152 VAL N N 15 120.23 0.05 . 1 . . . . . . . . 5511 1 415 . 1 1 153 153 LYS H H 1 7.09 0.02 . 1 . . . . . . . . 5511 1 416 . 1 1 153 153 LYS C C 13 172.93 0.05 . 1 . . . . . . . . 5511 1 417 . 1 1 153 153 LYS CA C 13 57.17 0.05 . 1 . . . . . . . . 5511 1 418 . 1 1 153 153 LYS N N 15 115.08 0.05 . 1 . . . . . . . . 5511 1 419 . 1 1 154 154 TYR H H 1 9.11 0.02 . 1 . . . . . . . . 5511 1 420 . 1 1 154 154 TYR C C 13 175.01 0.05 . 1 . . . . . . . . 5511 1 421 . 1 1 154 154 TYR N N 15 122.21 0.05 . 1 . . . . . . . . 5511 1 422 . 1 1 155 155 LEU H H 1 7.57 0.02 . 1 . . . . . . . . 5511 1 423 . 1 1 155 155 LEU C C 13 169.98 0.05 . 1 . . . . . . . . 5511 1 424 . 1 1 155 155 LEU CA C 13 54.78 0.05 . 1 . . . . . . . . 5511 1 425 . 1 1 155 155 LEU N N 15 121.32 0.05 . 1 . . . . . . . . 5511 1 426 . 1 1 156 156 GLU H H 1 8.32 0.02 . 1 . . . . . . . . 5511 1 427 . 1 1 156 156 GLU C C 13 171.07 0.05 . 1 . . . . . . . . 5511 1 428 . 1 1 156 156 GLU CA C 13 55.81 0.05 . 1 . . . . . . . . 5511 1 429 . 1 1 156 156 GLU N N 15 116.93 0.05 . 1 . . . . . . . . 5511 1 430 . 1 1 158 158 SER H H 1 8.40 0.02 . 1 . . . . . . . . 5511 1 431 . 1 1 158 158 SER C C 13 177.74 0.05 . 1 . . . . . . . . 5511 1 432 . 1 1 158 158 SER CA C 13 53.75 0.05 . 1 . . . . . . . . 5511 1 433 . 1 1 158 158 SER N N 15 112.14 0.05 . 1 . . . . . . . . 5511 1 434 . 1 1 159 159 ALA H H 1 9.32 0.02 . 1 . . . . . . . . 5511 1 435 . 1 1 159 159 ALA C C 13 173.37 0.05 . 1 . . . . . . . . 5511 1 436 . 1 1 159 159 ALA CA C 13 52.38 0.05 . 1 . . . . . . . . 5511 1 437 . 1 1 159 159 ALA N N 15 133.76 0.05 . 1 . . . . . . . . 5511 1 438 . 1 1 160 160 LEU H H 1 7.32 0.02 . 1 . . . . . . . . 5511 1 439 . 1 1 160 160 LEU C C 13 172.05 0.05 . 1 . . . . . . . . 5511 1 440 . 1 1 160 160 LEU CA C 13 55.57 0.05 . 1 . . . . . . . . 5511 1 441 . 1 1 160 160 LEU N N 15 120.19 0.05 . 1 . . . . . . . . 5511 1 442 . 1 1 161 161 THR H H 1 8.09 0.02 . 1 . . . . . . . . 5511 1 443 . 1 1 161 161 THR C C 13 171.39 0.05 . 1 . . . . . . . . 5511 1 444 . 1 1 161 161 THR CA C 13 59.22 0.05 . 1 . . . . . . . . 5511 1 445 . 1 1 161 161 THR N N 15 107.51 0.05 . 1 . . . . . . . . 5511 1 446 . 1 1 162 162 GLN H H 1 7.37 0.02 . 1 . . . . . . . . 5511 1 447 . 1 1 162 162 GLN C C 13 173.15 0.05 . 1 . . . . . . . . 5511 1 448 . 1 1 162 162 GLN CA C 13 56.94 0.05 . 1 . . . . . . . . 5511 1 449 . 1 1 162 162 GLN N N 15 114.14 0.05 . 1 . . . . . . . . 5511 1 450 . 1 1 163 163 ARG H H 1 7.86 0.02 . 1 . . . . . . . . 5511 1 451 . 1 1 163 163 ARG C C 13 173.91 0.05 . 1 . . . . . . . . 5511 1 452 . 1 1 163 163 ARG CA C 13 55.80 0.05 . 1 . . . . . . . . 5511 1 453 . 1 1 163 163 ARG N N 15 124.98 0.05 . 1 . . . . . . . . 5511 1 454 . 1 1 164 164 GLY H H 1 9.16 0.02 . 1 . . . . . . . . 5511 1 455 . 1 1 164 164 GLY C C 13 172.16 0.05 . 1 . . . . . . . . 5511 1 456 . 1 1 164 164 GLY CA C 13 44.18 0.05 . 1 . . . . . . . . 5511 1 457 . 1 1 164 164 GLY N N 15 116.20 0.05 . 1 . . . . . . . . 5511 1 458 . 1 1 165 165 LEU H H 1 7.46 0.02 . 1 . . . . . . . . 5511 1 459 . 1 1 165 165 LEU C C 13 174.13 0.05 . 1 . . . . . . . . 5511 1 460 . 1 1 165 165 LEU CA C 13 56.49 0.05 . 1 . . . . . . . . 5511 1 461 . 1 1 165 165 LEU N N 15 118.21 0.05 . 1 . . . . . . . . 5511 1 462 . 1 1 166 166 LYS H H 1 8.59 0.02 . 1 . . . . . . . . 5511 1 463 . 1 1 166 166 LYS C C 13 172.27 0.05 . 1 . . . . . . . . 5511 1 464 . 1 1 166 166 LYS CA C 13 58.31 0.05 . 1 . . . . . . . . 5511 1 465 . 1 1 166 166 LYS N N 15 118.21 0.05 . 1 . . . . . . . . 5511 1 466 . 1 1 167 167 THR H H 1 7.77 0.02 . 1 . . . . . . . . 5511 1 467 . 1 1 167 167 THR C C 13 170.08 0.05 . 1 . . . . . . . . 5511 1 468 . 1 1 167 167 THR CA C 13 64.12 0.05 . 1 . . . . . . . . 5511 1 469 . 1 1 167 167 THR N N 15 114.75 0.05 . 1 . . . . . . . . 5511 1 470 . 1 1 168 168 VAL H H 1 7.13 0.02 . 1 . . . . . . . . 5511 1 471 . 1 1 168 168 VAL C C 13 174.57 0.05 . 1 . . . . . . . . 5511 1 472 . 1 1 168 168 VAL CA C 13 64.23 0.05 . 1 . . . . . . . . 5511 1 473 . 1 1 168 168 VAL N N 15 120.50 0.05 . 1 . . . . . . . . 5511 1 474 . 1 1 169 169 PHE H H 1 6.31 0.02 . 1 . . . . . . . . 5511 1 475 . 1 1 169 169 PHE C C 13 173.47 0.05 . 1 . . . . . . . . 5511 1 476 . 1 1 169 169 PHE CA C 13 59.68 0.05 . 1 . . . . . . . . 5511 1 477 . 1 1 169 169 PHE N N 15 115.96 0.05 . 1 . . . . . . . . 5511 1 478 . 1 1 170 170 ASP H H 1 7.41 0.02 . 1 . . . . . . . . 5511 1 479 . 1 1 170 170 ASP C C 13 173.26 0.05 . 1 . . . . . . . . 5511 1 480 . 1 1 170 170 ASP CA C 13 56.83 0.05 . 1 . . . . . . . . 5511 1 481 . 1 1 170 170 ASP N N 15 114.31 0.05 . 1 . . . . . . . . 5511 1 482 . 1 1 172 172 ALA H H 1 7.58 0.02 . 1 . . . . . . . . 5511 1 483 . 1 1 172 172 ALA C C 13 169.97 0.05 . 1 . . . . . . . . 5511 1 484 . 1 1 172 172 ALA CA C 13 52.61 0.05 . 1 . . . . . . . . 5511 1 485 . 1 1 172 172 ALA N N 15 121.27 0.05 . 1 . . . . . . . . 5511 1 486 . 1 1 173 173 ILE H H 1 7.62 0.02 . 1 . . . . . . . . 5511 1 487 . 1 1 173 173 ILE C C 13 171.62 0.05 . 1 . . . . . . . . 5511 1 488 . 1 1 173 173 ILE CA C 13 63.32 0.05 . 1 . . . . . . . . 5511 1 489 . 1 1 173 173 ILE N N 15 115.55 0.05 . 1 . . . . . . . . 5511 1 490 . 1 1 174 174 ARG H H 1 8.47 0.02 . 1 . . . . . . . . 5511 1 491 . 1 1 174 174 ARG C C 13 170.19 0.05 . 1 . . . . . . . . 5511 1 492 . 1 1 174 174 ARG CA C 13 57.86 0.05 . 1 . . . . . . . . 5511 1 493 . 1 1 174 174 ARG N N 15 120.97 0.05 . 1 . . . . . . . . 5511 1 494 . 1 1 175 175 ALA H H 1 7.86 0.02 . 1 . . . . . . . . 5511 1 495 . 1 1 175 175 ALA C C 13 171.39 0.05 . 1 . . . . . . . . 5511 1 496 . 1 1 175 175 ALA CA C 13 51.93 0.05 . 1 . . . . . . . . 5511 1 497 . 1 1 175 175 ALA N N 15 119.76 0.05 . 1 . . . . . . . . 5511 1 498 . 1 1 176 176 VAL H H 1 7.25 0.02 . 1 . . . . . . . . 5511 1 499 . 1 1 176 176 VAL C C 13 171.72 0.05 . 1 . . . . . . . . 5511 1 500 . 1 1 176 176 VAL CA C 13 61.73 0.05 . 1 . . . . . . . . 5511 1 501 . 1 1 176 176 VAL N N 15 116.23 0.05 . 1 . . . . . . . . 5511 1 502 . 1 1 177 177 LEU H H 1 7.88 0.02 . 1 . . . . . . . . 5511 1 503 . 1 1 177 177 LEU C C 13 174.46 0.05 . 1 . . . . . . . . 5511 1 504 . 1 1 177 177 LEU CA C 13 54.09 0.05 . 1 . . . . . . . . 5511 1 505 . 1 1 177 177 LEU N N 15 122.21 0.05 . 1 . . . . . . . . 5511 1 506 . 1 1 178 178 SER H H 1 8.14 0.02 . 1 . . . . . . . . 5511 1 507 . 1 1 178 178 SER C C 13 171.18 0.05 . 1 . . . . . . . . 5511 1 508 . 1 1 178 178 SER CA C 13 53.75 0.05 . 1 . . . . . . . . 5511 1 509 . 1 1 178 178 SER N N 15 115.72 0.05 . 1 . . . . . . . . 5511 1 510 . 1 1 182 182 VAL H H 1 7.42 0.02 . 1 . . . . . . . . 5511 1 511 . 1 1 182 182 VAL C C 13 174.89 0.05 . 1 . . . . . . . . 5511 1 512 . 1 1 182 182 VAL CA C 13 52.96 0.05 . 1 . . . . . . . . 5511 1 513 . 1 1 182 182 VAL N N 15 117.32 0.05 . 1 . . . . . . . . 5511 1 514 . 1 1 183 183 LYS H H 1 7.79 0.02 . 1 . . . . . . . . 5511 1 515 . 1 1 183 183 LYS C C 13 170.52 0.05 . 1 . . . . . . . . 5511 1 516 . 1 1 183 183 LYS CA C 13 54.67 0.05 . 1 . . . . . . . . 5511 1 517 . 1 1 183 183 LYS N N 15 118.06 0.05 . 1 . . . . . . . . 5511 1 518 . 1 1 184 184 LYS H H 1 8.37 0.02 . 1 . . . . . . . . 5511 1 519 . 1 1 184 184 LYS C C 13 172.92 0.05 . 1 . . . . . . . . 5511 1 520 . 1 1 184 184 LYS CA C 13 53.98 0.05 . 1 . . . . . . . . 5511 1 521 . 1 1 184 184 LYS N N 15 123.98 0.05 . 1 . . . . . . . . 5511 1 522 . 1 1 185 185 ARG H H 1 8.32 0.02 . 1 . . . . . . . . 5511 1 523 . 1 1 185 185 ARG C C 13 172.92 0.05 . 1 . . . . . . . . 5511 1 524 . 1 1 185 185 ARG CA C 13 54.09 0.05 . 1 . . . . . . . . 5511 1 525 . 1 1 185 185 ARG N N 15 124.30 0.05 . 1 . . . . . . . . 5511 1 526 . 1 1 186 186 LYS H H 1 7.96 0.02 . 1 . . . . . . . . 5511 1 527 . 1 1 186 186 LYS C C 13 174.02 0.05 . 1 . . . . . . . . 5511 1 528 . 1 1 186 186 LYS CA C 13 55.80 0.05 . 1 . . . . . . . . 5511 1 529 . 1 1 186 186 LYS N N 15 128.54 0.05 . 1 . . . . . . . . 5511 1 530 . 1 1 187 187 ARG H H 1 8.36 0.02 . 1 . . . . . . . . 5511 1 531 . 1 1 187 187 ARG C C 13 173.03 0.05 . 1 . . . . . . . . 5511 1 532 . 1 1 187 187 ARG CA C 13 53.98 0.05 . 1 . . . . . . . . 5511 1 533 . 1 1 187 187 ARG N N 15 126.46 0.05 . 1 . . . . . . . . 5511 1 534 . 1 1 188 188 LYS H H 1 8.34 0.02 . 1 . . . . . . . . 5511 1 535 . 1 1 188 188 LYS C C 13 173.04 0.05 . 1 . . . . . . . . 5511 1 536 . 1 1 188 188 LYS CA C 13 53.98 0.05 . 1 . . . . . . . . 5511 1 537 . 1 1 188 188 LYS N N 15 126.30 0.05 . 1 . . . . . . . . 5511 1 stop_ save_