data_10051 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10051 _Entry.Title ; Backbone 1H and 15N assignment for the human c-Ha Ras (Y32W) in the GDP-bound state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-11-13 _Entry.Accession_date 2006-11-13 _Entry.Last_release_date 2007-11-13 _Entry.Original_release_date 2007-11-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 T. Matsuda . . . 10051 2 S. Koshiba . . . 10051 3 N. Tochio . . . 10051 4 T. Kigawa . . . 10051 5 S. Yokoyama . . . 10051 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10051 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 172 10051 '1H chemical shifts' 172 10051 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 . . 2007-11-13 2006-11-13 original author . 10051 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10051 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17237976 _Citation.Full_citation . _Citation.Title 'Improving cell-free protein synthesis for stable-isotope labeling' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 37 _Citation.Journal_issue 3 _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 225 _Citation.Page_last 229 _Citation.Year 2007 _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 T. Matsuda . . . 10051 1 2 S. Koshiba . . . 10051 1 3 N. Tochio . . . 10051 1 4 E. Seki . . . 10051 1 5 N. Iwasaki . . . 10051 1 6 T. Yabuki . . . 10051 1 7 M. Inoue . . . 10051 1 8 S. Yokoyama . . . 10051 1 9 T. Kigawa . . . 10051 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Ras Y32W mutant' 10051 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10051 _Assembly.ID 1 _Assembly.Name RasY32W _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _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_ _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 RasY32W 1 $RasY32W . . yes native no no . . . 10051 1 2 GDP 2 $GDP . . no native . no . . . 10051 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RasY32W _Entity.Sf_category entity _Entity.Sf_framecode RasY32W _Entity.Entry_ID 10051 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RasY32W _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 ; GSSGSSGMTEYKLVVVGAGG VGKSALTIQLIQNHFVDEWD PTIEDSYRKQVVIDGETCLL DILDTAGQEEYSAMRDQYMR TGEGFLCVFAINNTKSFEDI HQYREQIKRVKDSDDVPMVL VGNKCDLAARTVESRQAQDL ARSYGIPYIETSAKTRQGVE DAFYTLVREIRQHKLRKL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 178 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20034.82 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'This protein contains mutation Y to W at the position of 32.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17183 . Ras . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 2 no BMRB 17610 . "GppNHp-bound H-RasT35S mutant protein" . . . . . 94.38 172 98.21 99.40 3.55e-117 . . . . 10051 1 3 no BMRB 17678 . HRas166 . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 4 no BMRB 18461 . entity_1 . . . . . 94.38 172 98.81 99.40 1.10e-117 . . . . 10051 1 5 no BMRB 18479 . HRas166 . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 6 no BMRB 18629 . entity_1 . . . . . 93.26 166 98.80 100.00 3.96e-117 . . . . 10051 1 7 no BMRB 25730 . H-Ras_G12V . . . . . 94.38 169 98.21 98.81 1.21e-116 . . . . 10051 1 8 no PDB 121P . "Struktur Und Guanosintriphosphat-Hydrolysemechanismus Des C- Terminal Verkuerzten Menschlichen Krebsproteins P21-H-Ras" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 9 no PDB 1AA9 . "Human C-Ha-Ras(1-171)(Dot)gdp, Nmr, Minimized Average Structure" . . . . . 96.07 171 99.42 100.00 2.13e-121 . . . . 10051 1 10 no PDB 1AGP . "Three-Dimensional Structures And Properties Of A Transforming And A Nontransforming Gly-12 Mutant Of P21-H-Ras" . . . . . 93.26 166 98.80 99.40 1.71e-116 . . . . 10051 1 11 no PDB 1BKD . "Complex Of Human H-Ras With Human Sos-1" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 12 no PDB 1CLU . "H-Ras Complexed With Diaminobenzophenone-Beta,Gamma-Imido- Gtp" . . . . . 93.26 166 98.80 99.40 1.57e-116 . . . . 10051 1 13 no PDB 1CRP . "The Solution Structure And Dynamics Of Ras P21. Gdp Determined By Heteronuclear Three And Four Dimensional Nmr Spectroscopy" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 14 no PDB 1CRQ . "The Solution Structure And Dynamics Of Ras P21. Gdp Determined By Heteronuclear Three And Four Dimensional Nmr Spectroscopy" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 15 no PDB 1CRR . "The Solution Structure And Dynamics Of Ras P21. Gdp Determined By Heteronuclear Three And Four Dimensional Nmr Spectroscopy" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 16 no PDB 1CTQ . "Structure Of P21ras In Complex With Gppnhp At 100 K" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 17 no PDB 1GNP . "X-Ray Crystal Structure Analysis Of The Catalytic Domain Of The Oncogene Product P21h-Ras Complexed With Caged Gtp And Mant Dgp" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 18 no PDB 1GNQ . "X-Ray Crystal Structure Analysis Of The Catalytic Domain Of The Oncogene Product P21h-Ras Complexed With Caged Gtp And Mant Dgp" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 19 no PDB 1GNR . "X-Ray Crystal Structure Analysis Of The Catalytic Domain Of The Oncogene Product P21h-Ras Complexed With Caged Gtp And Mant Dgp" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 20 no PDB 1HE8 . "Ras G12v-Pi 3-Kinase Gamma Complex" . . . . . 93.26 166 98.80 99.40 2.57e-116 . . . . 10051 1 21 no PDB 1IAQ . "C-H-Ras P21 Protein Mutant With Thr 35 Replaced By Ser (T35s) Complexed With Guanosine-5'-[b,G-Imido] Triphosphate" . . . . . 93.26 166 98.80 100.00 3.96e-117 . . . . 10051 1 22 no PDB 1IOZ . "Crystal Structure Of The C-Ha-Ras Protein Prepared By The Cell-Free Synthesis" . . . . . 96.07 171 99.42 100.00 2.13e-121 . . . . 10051 1 23 no PDB 1JAH . "H-Ras P21 Protein Mutant G12p, Complexed With Guanosine-5'- [beta,Gamma-Methylene] Triphosphate And Magnesium" . . . . . 93.26 166 98.19 98.80 1.06e-115 . . . . 10051 1 24 no PDB 1JAI . "H-Ras P21 Protein Mutant G12p, Complexed With Guanosine-5'- [beta,Gamma-Methylene] Triphosphate And Manganese" . . . . . 93.26 166 98.80 99.40 1.57e-116 . . . . 10051 1 25 no PDB 1K8R . "Crystal Structure Of Ras-Bry2rbd Complex" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 26 no PDB 1LF0 . "Crystal Structure Of Rasa59g In The Gtp-Bound Form" . . . . . 93.26 166 98.80 99.40 8.06e-117 . . . . 10051 1 27 no PDB 1LF5 . "Crystal Structure Of Rasa59g In The Gdp-Bound Form" . . . . . 93.26 166 98.80 99.40 8.06e-117 . . . . 10051 1 28 no PDB 1LFD . "Crystal Structure Of The Active Ras Protein Complexed With The Ras-interacting Domain Of Ralgds" . . . . . 93.82 167 98.80 100.00 8.14e-118 . . . . 10051 1 29 no PDB 1NVU . "Structural Evidence For Feedback Activation By Rasgtp Of The Ras-Specific Nucleotide Exchange Factor Sos" . . . . . 93.26 166 98.80 99.40 8.06e-117 . . . . 10051 1 30 no PDB 1NVV . "Structural Evidence For Feedback Activation By Rasgtp Of The Ras-specific Nucleotide Exchange Factor Sos" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 31 no PDB 1NVW . "Structural Evidence For Feedback Activation By Rasgtp Of The Ras-specific Nucleotide Exchange Factor Sos" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 32 no PDB 1NVX . "Structural Evidence For Feedback Activation By Rasgtp Of The Ras-Specific Nucleotide Exchange Factor Sos" . . . . . 93.26 166 98.80 99.40 8.06e-117 . . . . 10051 1 33 no PDB 1P2S . "H-Ras 166 In 50% 2,2,2 Triflouroethanol" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 34 no PDB 1P2T . "H-Ras 166 In Aqueous Mother Liqour, Rt" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 35 no PDB 1P2U . "H-Ras In 50% Isopropanol" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 36 no PDB 1P2V . "H-Ras 166 In 60 % 1,6 Hexanediol" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 37 no PDB 1PLJ . "Crystallographic Studies On P21h-Ras Using Synchrotron Laue Method: Improvement Of Crystal Quality And Monitoring Of The Gtpase" . . . . . 93.26 166 98.80 99.40 1.57e-116 . . . . 10051 1 38 no PDB 1PLK . "Crystallographic Studies On P21h-Ras Using Synchrotron Laue Method: Improvement Of Crystal Quality And Monitoring Of The Gtpase" . . . . . 93.26 166 98.19 98.80 1.06e-115 . . . . 10051 1 39 no PDB 1PLL . "Crystallographic Studies On P21h-Ras Using Synchrotron Laue Method: Improvement Of Crystal Quality And Monitoring Of The Gtpase" . . . . . 93.26 166 98.80 99.40 1.57e-116 . . . . 10051 1 40 no PDB 1Q21 . "Crystal Structures At 2.2 Angstroms Resolution Of The Catalytic Domains Of Normal Ras Protein And An Oncogenic Mutant Complexed" . . . . . 96.07 171 99.42 100.00 2.13e-121 . . . . 10051 1 41 no PDB 1QRA . "Structure Of P21ras In Complex With Gtp At 100 K" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 42 no PDB 1RVD . "H-Ras Complexed With Diaminobenzophenone-Beta,Gamma-Imido- Gtp" . . . . . 93.26 166 98.80 99.40 2.57e-116 . . . . 10051 1 43 no PDB 1WQ1 . "Ras-Rasgap Complex" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 44 no PDB 1XCM . "Crystal Structure Of The Gppnhp-Bound H-Ras G60a Mutant" . . . . . 93.82 167 98.20 98.80 3.03e-116 . . . . 10051 1 45 no PDB 1XD2 . "Crystal Structure Of A Ternary Ras:sos:ras*gdp Complex" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 46 no PDB 1XJ0 . "Crystal Structure Of The Gdp-Bound Form Of The Rasg60a Mutant" . . . . . 93.26 166 98.19 98.80 1.41e-115 . . . . 10051 1 47 no PDB 1ZVQ . "Structure Of The Q61g Mutant Of Ras In The Gdp-Bound Form" . . . . . 93.26 166 98.80 99.40 2.06e-116 . . . . 10051 1 48 no PDB 1ZW6 . "Crystal Structure Of The Gtp-Bound Form Of Rasq61g" . . . . . 93.26 166 98.19 98.80 9.06e-115 . . . . 10051 1 49 no PDB 221P . "Three-Dimensional Structures Of H-Ras P21 Mutants: Molecular Basis For Their Inability To Function As Signal Switch Molecules" . . . . . 93.26 166 98.80 100.00 5.75e-117 . . . . 10051 1 50 no PDB 2C5L . "Structure Of Plc Epsilon Ras Association Domain With Hras" . . . . . 97.19 173 97.11 97.69 4.10e-117 . . . . 10051 1 51 no PDB 2CE2 . "Crystal Structure Analysis Of A Fluorescent Form Of H-ras P21 In Complex With Gdp" . . . . . 93.26 166 98.80 98.80 1.43e-115 . . . . 10051 1 52 no PDB 2CL0 . "Crystal Structure Analysis Of A Fluorescent Form Of H-Ras P21 In Complex With Gppnhp" . . . . . 93.26 166 98.80 98.80 1.43e-115 . . . . 10051 1 53 no PDB 2CL6 . "Crystal Structure Analysis Of A Fluorescent Form Of H-ras P21 In Complex With S-caged Gtp" . . . . . 93.26 166 98.80 98.80 1.43e-115 . . . . 10051 1 54 no PDB 2CL7 . "Crystal Structure Analysis Of A Fluorescent Form Of H-ras P21 In Complex With Gtp" . . . . . 93.26 166 98.80 98.80 1.43e-115 . . . . 10051 1 55 no PDB 2CLC . "Crystal Structure Analysis Of A Fluorescent Form Of H-ras P21 In Complex With Gtp (2)" . . . . . 93.26 166 98.80 98.80 1.43e-115 . . . . 10051 1 56 no PDB 2CLD . "Crystal Structure Analysis Of A Fluorescent Form Of H-ras P21 In Complex With Gdp (2)" . . . . . 93.26 166 98.80 99.40 2.02e-116 . . . . 10051 1 57 no PDB 2EVW . "Crystal Structure Analysis Of A Fluorescent Form Of H-Ras P21 In Complex With R-Caged Gtp" . . . . . 93.26 166 98.80 98.80 1.43e-115 . . . . 10051 1 58 no PDB 2LCF . "Solution Structure Of Gppnhp-Bound H-Rast35s Mutant Protein" . . . . . 94.38 172 98.21 99.40 3.55e-117 . . . . 10051 1 59 no PDB 2LWI . "Solution Structure Of H-rast35s Mutant Protein In Complex With Kobe2601" . . . . . 94.38 172 98.21 99.40 3.55e-117 . . . . 10051 1 60 no PDB 2N42 . "Ec-nmr Structure Of Human H-rast35s Mutant Protein Determined By Combining Evolutionary Couplings (ec) And Sparse Nmr Data" . . . . . 94.38 172 98.21 99.40 3.55e-117 . . . . 10051 1 61 no PDB 2N46 . "Ec-nmr Structure Of Human H-rast35s Mutant Protein Determined By Combining Evolutionary Couplings (ec) And Sparse Nmr Data" . . . . . 94.38 172 98.21 99.40 3.55e-117 . . . . 10051 1 62 no PDB 2Q21 . "Crystal Structures At 2.2 Angstroms Resolution Of The Catalytic Domains Of Normal Ras Protein And An Oncogenic Mutant Complexed" . . . . . 96.07 171 98.83 99.42 3.70e-120 . . . . 10051 1 63 no PDB 2QUZ . "Crystal Structure Of The Activating H-Rask117r Mutant In Costello Syndrome, Bound To Mg-Gdp" . . . . . 93.26 166 98.80 100.00 4.67e-117 . . . . 10051 1 64 no PDB 2RGA . "Crystal Structure Of H-Rasq61i-Gppnhp" . . . . . 93.26 166 98.80 99.40 2.41e-116 . . . . 10051 1 65 no PDB 2RGB . "Crystal Structure Of H-Rasq61k-Gppnhp" . . . . . 93.26 166 98.80 100.00 4.93e-117 . . . . 10051 1 66 no PDB 2RGC . "Crystal Structure Of H-Rasq61v-Gppnhp" . . . . . 93.26 166 98.80 99.40 2.11e-116 . . . . 10051 1 67 no PDB 2RGD . "Crystal Structure Of H-Rasq61l-Gppnhp" . . . . . 93.26 166 98.80 99.40 1.89e-116 . . . . 10051 1 68 no PDB 2RGE . "Crystal Structure Of H-Ras-Gppnhp" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 69 no PDB 2RGG . "Crystal Structure Of H-Rasq61i-Gppnhp, Trigonal Crystal Form" . . . . . 93.26 166 98.80 99.40 2.41e-116 . . . . 10051 1 70 no PDB 2UZI . "Crystal Structure Of Hras(G12v) - Anti-Ras Fv Complex" . . . . . 93.26 166 98.80 99.40 2.57e-116 . . . . 10051 1 71 no PDB 2VH5 . "Crystal Structure Of Hras(G12v) - Anti-Ras Fv (Disulfide Free Mutant) Complex" . . . . . 93.26 166 98.80 99.40 2.57e-116 . . . . 10051 1 72 no PDB 2X1V . "Crystal Structure Of The Activating H-Ras I163f Mutant In Costello Syndrome, Bound To Mg-Gdp" . . . . . 93.26 166 98.80 99.40 6.14e-117 . . . . 10051 1 73 no PDB 3DDC . "Crystal Structure Of Nore1a In Complex With Ras" . . . . . 93.26 166 98.19 100.00 2.43e-116 . . . . 10051 1 74 no PDB 3I3S . "Crystal Structure Of H-Ras With Thr50 Replaced By Isoleucine" . . . . . 93.26 166 98.80 99.40 9.20e-117 . . . . 10051 1 75 no PDB 3K8Y . "Allosteric Modulation Of H-Ras Gtpase" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 76 no PDB 3K9L . "Allosteric Modulation Of H-Ras Gtpase" . . . . . 93.26 166 99.40 100.00 1.91e-117 . . . . 10051 1 77 no PDB 3K9N . "Allosteric Modulation Of H-Ras Gtpase" . . . . . 93.26 166 99.40 100.00 1.91e-117 . . . . 10051 1 78 no PDB 3KKM . "Crystal Structure Of H-ras T35s In Complex With Gppnhp" . . . . . 94.38 172 98.21 99.40 3.55e-117 . . . . 10051 1 79 no PDB 3KKN . "Crystal Structure Of H-ras T35s In Complex With Gppnhp" . . . . . 94.38 172 98.21 99.40 3.55e-117 . . . . 10051 1 80 no PDB 3KUD . "Complex Of Ras-Gdp With Rafrbd(A85k)" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 81 no PDB 3L8Y . "Complex Of Ras With Cyclen" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 82 no PDB 3L8Z . "H-Ras Wildtype New Crystal Form" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 83 no PDB 3LBH . "Ras Soaked In Calcium Acetate" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 84 no PDB 3LBI . "Ras Soaked In Magnesium Acetate And Back Soaked In Calcium A" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 85 no PDB 3LBN . "Ras Soaked In Magnesium Acetate" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 86 no PDB 3LO5 . "Crystal Structure Of The Dominant Negative S17n Mutant Of Ras" . . . . . 93.26 166 98.80 100.00 4.93e-117 . . . . 10051 1 87 no PDB 3OIU . 'H-Rasq61l With Allosteric Switch In The "on" State' . . . . . 93.26 166 98.80 99.40 1.89e-116 . . . . 10051 1 88 no PDB 3OIV . 'H-Rasg12v With Allosteric Switch In The "off" State' . . . . . 93.26 166 98.80 99.40 2.57e-116 . . . . 10051 1 89 no PDB 3OIW . 'H-Rasg12v With Allosteric Switch In The "on" State' . . . . . 93.26 166 98.80 99.40 2.57e-116 . . . . 10051 1 90 no PDB 3RRY . "H-Ras Crosslinked Control, Soaked In Aqueous Solution: One Of 10 In Mscs Set" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 91 no PDB 3RRZ . "H-Ras In 70% Glycerol: One Of 10 In Mscs Set" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 92 no PDB 3RS0 . "H-Ras Soaked In Neat Cyclopentanol: One Of 10 In Mscs Set" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 93 no PDB 3RS2 . "H-Ras Soaked In 50% 2,2,2-Trifluoroethanol: One Of 10 In Mscs Set" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 94 no PDB 3RS3 . "H-Ras Soaked In Neat Hexane: 1 Of 10 In Mscs Set" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 95 no PDB 3RS4 . "H-Ras Soaked In 60% 1,6-Hexanediol: 1 Of 10 In Mscs Set" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 96 no PDB 3RS5 . "H-Ras Soaked In 55% Dimethylformamide: 1 Of 10 In Mscs Set" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 97 no PDB 3RS7 . "H-Ras Soaked In 50% Isopropanol: 1 Of 10 In Mscs Set" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 98 no PDB 3RSL . "H-Ras Soaked In 90% R,S,R-Bisfuranol: One Of 10 In Mscs Set" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 99 no PDB 3RSO . "H-Ras Soaked In 20% S,R,S-Bisfuranol: 1 Of 10 In Mscs Set" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 100 no PDB 3TGP . "Room Temperature H-Ras" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 101 no PDB 3V4F . "H-Ras Peg 400CACL2, ORDERED OFF" . . . . . 93.26 166 98.80 100.00 4.42e-117 . . . . 10051 1 102 no PDB 421P . "Three-Dimensional Structures Of H-Ras P21 Mutants: Molecular Basis For Their Inability To Function As Signal Switch Molecules" . . . . . 93.26 166 98.80 99.40 2.28e-116 . . . . 10051 1 103 no PDB 4DLR . "H-Ras Peg 400CA(OAC)2, ORDERED OFF" . . . . . 93.26 166 98.80 100.00 4.42e-117 . . . . 10051 1 104 no PDB 4DLS . "H-Ras Set 1 Cacl2 'mixed'" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 105 no PDB 4DLT . "H-Ras Set 2 Ca(Oac)2, On" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 106 no PDB 4DLU . "H-Ras Set 1 Ca(Oac)2, On" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 107 no PDB 4DLV . "H-Ras Set 2 Cacl2DTT, ORDERED OFF" . . . . . 93.26 166 98.80 100.00 4.42e-117 . . . . 10051 1 108 no PDB 4DLW . "H-Ras Set 2 Ca(Oac)2DTT, ON" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 109 no PDB 4DLX . "H-Ras Set 1 Cacl2DTE, ORDERED OFF" . . . . . 93.26 166 98.80 100.00 4.42e-117 . . . . 10051 1 110 no PDB 4DLY . "Set 1 Cacl2DTT, ORDERED OFF" . . . . . 93.26 166 98.80 100.00 4.42e-117 . . . . 10051 1 111 no PDB 4DLZ . "H-Ras Set 2 Ca(Oac)2DTE, ORDERED OFF" . . . . . 93.26 166 98.80 100.00 4.42e-117 . . . . 10051 1 112 no PDB 4EFL . "Crystal Structure Of H-ras Wt In Complex With Gppnhp (state 1)" . . . . . 97.19 171 97.11 97.69 1.74e-117 . . . . 10051 1 113 no PDB 4G0N . "Crystal Structure Of Wt H-ras-gppnhp Bound To The Rbd Of Raf Kinase" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 114 no PDB 4G3X . "Crystal Structure Of Q61l H-ras-gppnhp Bound To The Rbd Of Raf Kinase" . . . . . 93.26 166 98.80 99.40 1.89e-116 . . . . 10051 1 115 no PDB 4NYI . "Approach For Targeting Ras With Small Molecules That Activate Sos- Mediated Nucleotide Exchange" . . . . . 93.82 167 99.40 100.00 2.22e-118 . . . . 10051 1 116 no PDB 4NYJ . "Approach For Targeting Ras With Small Molecules That Activate Sos- Mediated Nucleotide Exchange" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 117 no PDB 4NYM . "Approach For Targeting Ras With Small Molecules That Activate Sos- Mediated Nucleotide Exchange" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 118 no PDB 4Q21 . "Molecular Switch For Signal Transduction: Structural Differences Between Active And Inactive Forms Of Protooncogenic Ras Protei" . . . . . 96.07 189 99.42 100.00 8.74e-121 . . . . 10051 1 119 no PDB 4RSG . "Neutron Crystal Structure Of Ras Bound To The Gtp Analogue Gppnhp" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 120 no PDB 4URU . "The Crystal Structure Of H-ras And Sos In Complex With Ligands" . . . . . 94.38 185 98.81 99.40 1.27e-117 . . . . 10051 1 121 no PDB 4URV . "The Crystal Structure Of H-ras And Sos In Complex With Ligands" . . . . . 94.38 185 98.81 99.40 1.27e-117 . . . . 10051 1 122 no PDB 4URW . "The Crystal Structure Of H-ras And Sos In Complex With Ligands" . . . . . 94.38 185 98.81 99.40 1.27e-117 . . . . 10051 1 123 no PDB 4URX . "The Crystal Structure Of H-ras And Sos In Complex With Ligands" . . . . . 94.38 185 98.81 99.40 1.27e-117 . . . . 10051 1 124 no PDB 4URY . "The Crystal Structure Of H-ras And Sos In Complex With Ligands" . . . . . 94.38 185 98.81 99.40 1.27e-117 . . . . 10051 1 125 no PDB 4URZ . "The Crystal Structure Of H-ras And Sos In Complex With Ligands" . . . . . 94.38 185 98.81 99.40 1.27e-117 . . . . 10051 1 126 no PDB 4US0 . "The Crystal Structure Of H-ras And Sos In Complex With Ligands" . . . . . 94.38 185 98.81 99.40 1.27e-117 . . . . 10051 1 127 no PDB 4US1 . "The Crystal Structure Of H-ras And Sos In Complex With Ligands" . . . . . 94.38 185 98.81 99.40 1.27e-117 . . . . 10051 1 128 no PDB 4US2 . "The Crystal Structure Of H-ras And Sos In Complex With Ligands" . . . . . 94.38 185 98.81 99.40 1.27e-117 . . . . 10051 1 129 no PDB 4XVQ . "H-ras Y137e" . . . . . 93.26 166 98.80 99.40 2.38e-116 . . . . 10051 1 130 no PDB 4XVR . "H-ras Y137f" . . . . . 93.26 166 98.80 100.00 4.77e-117 . . . . 10051 1 131 no PDB 521P . "Three-Dimensional Structures Of H-Ras P21 Mutants: Molecular Basis For Their Inability To Function As Signal Switch Molecules" . . . . . 93.26 166 98.19 98.80 1.06e-115 . . . . 10051 1 132 no PDB 5P21 . "Refined Crystal Structure Of The Triphosphate Conformation Of H-Ras P21 At 1.35 Angstroms Resolution: Implications For The Mech" . . . . . 93.26 166 99.40 100.00 1.57e-117 . . . . 10051 1 133 no PDB 621P . "Three-Dimensional Structures Of H-Ras P21 Mutants: Molecular Basis For Their Inability To Function As Signal Switch Molecules" . . . . . 93.26 166 98.80 99.40 7.64e-117 . . . . 10051 1 134 no PDB 6Q21 . "Molecular Switch For Signal Transduction: Structural Differences Between Active And Inactive Forms Of Protooncogenic Ras Protei" . . . . . 96.07 171 99.42 100.00 2.13e-121 . . . . 10051 1 135 no PDB 721P . "Three-Dimensional Structures Of H-Ras P21 Mutants: Molecular Basis For Their Inability To Function As Signal Switch Molecules" . . . . . 93.26 166 98.80 99.40 1.89e-116 . . . . 10051 1 136 no PDB 821P . "Three-Dimensional Structures And Properties Of A Transforming And A Nontransforming Glycine-12 Mutant Of P21h-Ras" . . . . . 93.26 166 98.80 99.40 1.57e-116 . . . . 10051 1 137 no DBJ BAB61869 . "Rai-chu 101 [synthetic construct]" . . . . . 96.07 740 99.42 100.00 1.56e-113 . . . . 10051 1 138 no DBJ BAB61870 . "Rai-chu 101X [synthetic construct]" . . . . . 96.07 764 99.42 100.00 1.47e-113 . . . . 10051 1 139 no DBJ BAB88314 . "c-Ha-ras p21 protein [synthetic construct]" . . . . . 96.07 189 99.42 100.00 8.74e-121 . . . . 10051 1 140 no DBJ BAB88315 . "c-Ha-ras p21 protein [synthetic construct]" . . . . . 96.07 189 99.42 100.00 8.74e-121 . . . . 10051 1 141 no DBJ BAB88316 . "c-Ha-ras p21 protein [synthetic construct]" . . . . . 96.07 189 99.42 100.00 8.74e-121 . . . . 10051 1 142 no EMBL CAA25322 . "transforming protein p21 [Moloney murine sarcoma virus]" . . . . . 96.07 189 98.25 98.83 7.55e-119 . . . . 10051 1 143 no EMBL CAA25624 . "p21 protein [Homo sapiens]" . . . . . 62.92 112 98.21 99.11 7.63e-74 . . . . 10051 1 144 no EMBL CAA27258 . "unnamed protein product [Gallus gallus]" . . . . . 96.07 189 98.25 99.42 1.42e-119 . . . . 10051 1 145 no EMBL CAA90306 . "C-H-Ras [Mus musculus]" . . . . . 96.07 189 98.83 99.42 8.67e-120 . . . . 10051 1 146 no EMBL CAD24594 . "p19 H-RasIDX protein [Homo sapiens]" . . . . . 84.83 170 99.34 100.00 3.17e-105 . . . . 10051 1 147 no GB AAA42009 . "c-ras-H-1 protein [Rattus norvegicus]" . . . . . 96.07 189 99.42 100.00 8.93e-121 . . . . 10051 1 148 no GB AAA46568 . "transforming protein p21 has [Harvey murine sarcoma virus]" . . . . . 96.63 241 97.09 97.67 5.11e-119 . . . . 10051 1 149 no GB AAA46569 . "protein p30 [Harvey murine sarcoma virus]" . . . . . 96.63 241 97.09 97.67 5.11e-119 . . . . 10051 1 150 no GB AAA46570 . "p21 v-has transforming protein [Harvey murine sarcoma virus]" . . . . . 96.07 189 97.66 98.25 4.06e-118 . . . . 10051 1 151 no GB AAA46574 . "p21 protein [Moloney murine sarcoma virus]" . . . . . 96.07 189 98.83 99.42 1.60e-119 . . . . 10051 1 152 no PIR A43816 . "transforming protein ras - rabbit" . . . . . 96.07 189 98.83 100.00 1.61e-120 . . . . 10051 1 153 no PIR TVMVNS . "transforming protein ras - NS.C58 murine sarcoma virus" . . . . . 96.07 189 98.83 99.42 1.60e-119 . . . . 10051 1 154 no PRF 0904302A . protein,c-Ha-ras-1 . . . . . 96.07 189 98.83 99.42 1.77e-119 . . . . 10051 1 155 no PRF 1604384A . "ras oncogene" . . . . . 96.07 189 97.08 97.66 4.05e-115 . . . . 10051 1 156 no REF NP_001017003 . "GTPase HRas [Xenopus (Silurana) tropicalis]" . . . . . 96.07 189 98.25 99.42 1.09e-119 . . . . 10051 1 157 no REF NP_001018465 . "-Ha-ras Harvey rat sarcoma viral oncogene homolog b [Danio rerio]" . . . . . 96.07 189 97.08 99.42 3.27e-118 . . . . 10051 1 158 no REF NP_001084278 . "Harvey rat sarcoma viral oncogene homolog [Xenopus laevis]" . . . . . 96.07 189 98.25 99.42 1.09e-119 . . . . 10051 1 159 no REF NP_001091711 . "GTPase HRas precursor [Rattus norvegicus]" . . . . . 96.07 189 99.42 100.00 8.74e-121 . . . . 10051 1 160 no REF NP_001123913 . "GTPase HRas precursor [Rattus norvegicus]" . . . . . 96.07 189 99.42 100.00 8.74e-121 . . . . 10051 1 161 no SP P01112 . "RecName: Full=GTPase HRas; AltName: Full=H-Ras-1; AltName: Full=Ha-Ras; AltName: Full=Transforming protein p21; AltName: Full=c" . . . . . 96.07 189 99.42 100.00 8.74e-121 . . . . 10051 1 162 no SP P01113 . "RecName: Full=GTPase HRas; AltName: Full=Transforming protein p21/H-Ras; Flags: Precursor" . . . . . 96.07 189 98.25 99.42 4.01e-119 . . . . 10051 1 163 no SP P01114 . "RecName: Full=Transforming protein p29; Contains: RecName: Full=Transforming protein p21; Flags: Precursor" . . . . . 96.63 248 97.09 97.67 5.65e-117 . . . . 10051 1 164 no SP P01115 . "RecName: Full=Transforming protein p29; Contains: RecName: Full=Transforming protein p21; Flags: Precursor" . . . . . 96.63 241 97.09 97.67 5.11e-119 . . . . 10051 1 165 no SP P08642 . "RecName: Full=GTPase HRas; AltName: Full=H-Ras-1; AltName: Full=Transforming protein p21; AltName: Full=c-H-ras; AltName: Full=" . . . . . 96.07 189 98.25 99.42 1.42e-119 . . . . 10051 1 166 no TPG DAA13500 . "TPA: v-Ha-ras Harvey rat sarcoma viral oncogene homolog [Bos taurus]" . . . . . 96.07 189 97.66 99.42 3.30e-118 . . . . 10051 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 . GLY . 10051 1 2 . SER . 10051 1 3 . SER . 10051 1 4 . GLY . 10051 1 5 . SER . 10051 1 6 . SER . 10051 1 7 . GLY . 10051 1 8 . MET . 10051 1 9 . THR . 10051 1 10 . GLU . 10051 1 11 . TYR . 10051 1 12 . LYS . 10051 1 13 . LEU . 10051 1 14 . VAL . 10051 1 15 . VAL . 10051 1 16 . VAL . 10051 1 17 . GLY . 10051 1 18 . ALA . 10051 1 19 . GLY . 10051 1 20 . GLY . 10051 1 21 . VAL . 10051 1 22 . GLY . 10051 1 23 . LYS . 10051 1 24 . SER . 10051 1 25 . ALA . 10051 1 26 . LEU . 10051 1 27 . THR . 10051 1 28 . ILE . 10051 1 29 . GLN . 10051 1 30 . LEU . 10051 1 31 . ILE . 10051 1 32 . GLN . 10051 1 33 . ASN . 10051 1 34 . HIS . 10051 1 35 . PHE . 10051 1 36 . VAL . 10051 1 37 . ASP . 10051 1 38 . GLU . 10051 1 39 . TRP . 10051 1 40 . ASP . 10051 1 41 . PRO . 10051 1 42 . THR . 10051 1 43 . ILE . 10051 1 44 . GLU . 10051 1 45 . ASP . 10051 1 46 . SER . 10051 1 47 . TYR . 10051 1 48 . ARG . 10051 1 49 . LYS . 10051 1 50 . GLN . 10051 1 51 . VAL . 10051 1 52 . VAL . 10051 1 53 . ILE . 10051 1 54 . ASP . 10051 1 55 . GLY . 10051 1 56 . GLU . 10051 1 57 . THR . 10051 1 58 . CYS . 10051 1 59 . LEU . 10051 1 60 . LEU . 10051 1 61 . ASP . 10051 1 62 . ILE . 10051 1 63 . LEU . 10051 1 64 . ASP . 10051 1 65 . THR . 10051 1 66 . ALA . 10051 1 67 . GLY . 10051 1 68 . GLN . 10051 1 69 . GLU . 10051 1 70 . GLU . 10051 1 71 . TYR . 10051 1 72 . SER . 10051 1 73 . ALA . 10051 1 74 . MET . 10051 1 75 . ARG . 10051 1 76 . ASP . 10051 1 77 . GLN . 10051 1 78 . TYR . 10051 1 79 . MET . 10051 1 80 . ARG . 10051 1 81 . THR . 10051 1 82 . GLY . 10051 1 83 . GLU . 10051 1 84 . GLY . 10051 1 85 . PHE . 10051 1 86 . LEU . 10051 1 87 . CYS . 10051 1 88 . VAL . 10051 1 89 . PHE . 10051 1 90 . ALA . 10051 1 91 . ILE . 10051 1 92 . ASN . 10051 1 93 . ASN . 10051 1 94 . THR . 10051 1 95 . LYS . 10051 1 96 . SER . 10051 1 97 . PHE . 10051 1 98 . GLU . 10051 1 99 . ASP . 10051 1 100 . ILE . 10051 1 101 . HIS . 10051 1 102 . GLN . 10051 1 103 . TYR . 10051 1 104 . ARG . 10051 1 105 . GLU . 10051 1 106 . GLN . 10051 1 107 . ILE . 10051 1 108 . LYS . 10051 1 109 . ARG . 10051 1 110 . VAL . 10051 1 111 . LYS . 10051 1 112 . ASP . 10051 1 113 . SER . 10051 1 114 . ASP . 10051 1 115 . ASP . 10051 1 116 . VAL . 10051 1 117 . PRO . 10051 1 118 . MET . 10051 1 119 . VAL . 10051 1 120 . LEU . 10051 1 121 . VAL . 10051 1 122 . GLY . 10051 1 123 . ASN . 10051 1 124 . LYS . 10051 1 125 . CYS . 10051 1 126 . ASP . 10051 1 127 . LEU . 10051 1 128 . ALA . 10051 1 129 . ALA . 10051 1 130 . ARG . 10051 1 131 . THR . 10051 1 132 . VAL . 10051 1 133 . GLU . 10051 1 134 . SER . 10051 1 135 . ARG . 10051 1 136 . GLN . 10051 1 137 . ALA . 10051 1 138 . GLN . 10051 1 139 . ASP . 10051 1 140 . LEU . 10051 1 141 . ALA . 10051 1 142 . ARG . 10051 1 143 . SER . 10051 1 144 . TYR . 10051 1 145 . GLY . 10051 1 146 . ILE . 10051 1 147 . PRO . 10051 1 148 . TYR . 10051 1 149 . ILE . 10051 1 150 . GLU . 10051 1 151 . THR . 10051 1 152 . SER . 10051 1 153 . ALA . 10051 1 154 . LYS . 10051 1 155 . THR . 10051 1 156 . ARG . 10051 1 157 . GLN . 10051 1 158 . GLY . 10051 1 159 . VAL . 10051 1 160 . GLU . 10051 1 161 . ASP . 10051 1 162 . ALA . 10051 1 163 . PHE . 10051 1 164 . TYR . 10051 1 165 . THR . 10051 1 166 . LEU . 10051 1 167 . VAL . 10051 1 168 . ARG . 10051 1 169 . GLU . 10051 1 170 . ILE . 10051 1 171 . ARG . 10051 1 172 . GLN . 10051 1 173 . HIS . 10051 1 174 . LYS . 10051 1 175 . LEU . 10051 1 176 . ARG . 10051 1 177 . LYS . 10051 1 178 . LEU . 10051 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 10051 1 . SER 2 2 10051 1 . SER 3 3 10051 1 . GLY 4 4 10051 1 . SER 5 5 10051 1 . SER 6 6 10051 1 . GLY 7 7 10051 1 . MET 8 8 10051 1 . THR 9 9 10051 1 . GLU 10 10 10051 1 . TYR 11 11 10051 1 . LYS 12 12 10051 1 . LEU 13 13 10051 1 . VAL 14 14 10051 1 . VAL 15 15 10051 1 . VAL 16 16 10051 1 . GLY 17 17 10051 1 . ALA 18 18 10051 1 . GLY 19 19 10051 1 . GLY 20 20 10051 1 . VAL 21 21 10051 1 . GLY 22 22 10051 1 . LYS 23 23 10051 1 . SER 24 24 10051 1 . ALA 25 25 10051 1 . LEU 26 26 10051 1 . THR 27 27 10051 1 . ILE 28 28 10051 1 . GLN 29 29 10051 1 . LEU 30 30 10051 1 . ILE 31 31 10051 1 . GLN 32 32 10051 1 . ASN 33 33 10051 1 . HIS 34 34 10051 1 . PHE 35 35 10051 1 . VAL 36 36 10051 1 . ASP 37 37 10051 1 . GLU 38 38 10051 1 . TRP 39 39 10051 1 . ASP 40 40 10051 1 . PRO 41 41 10051 1 . THR 42 42 10051 1 . ILE 43 43 10051 1 . GLU 44 44 10051 1 . ASP 45 45 10051 1 . SER 46 46 10051 1 . TYR 47 47 10051 1 . ARG 48 48 10051 1 . LYS 49 49 10051 1 . GLN 50 50 10051 1 . VAL 51 51 10051 1 . VAL 52 52 10051 1 . ILE 53 53 10051 1 . ASP 54 54 10051 1 . GLY 55 55 10051 1 . GLU 56 56 10051 1 . THR 57 57 10051 1 . CYS 58 58 10051 1 . LEU 59 59 10051 1 . LEU 60 60 10051 1 . ASP 61 61 10051 1 . ILE 62 62 10051 1 . LEU 63 63 10051 1 . ASP 64 64 10051 1 . THR 65 65 10051 1 . ALA 66 66 10051 1 . GLY 67 67 10051 1 . GLN 68 68 10051 1 . GLU 69 69 10051 1 . GLU 70 70 10051 1 . TYR 71 71 10051 1 . SER 72 72 10051 1 . ALA 73 73 10051 1 . MET 74 74 10051 1 . ARG 75 75 10051 1 . ASP 76 76 10051 1 . GLN 77 77 10051 1 . TYR 78 78 10051 1 . MET 79 79 10051 1 . ARG 80 80 10051 1 . THR 81 81 10051 1 . GLY 82 82 10051 1 . GLU 83 83 10051 1 . GLY 84 84 10051 1 . PHE 85 85 10051 1 . LEU 86 86 10051 1 . CYS 87 87 10051 1 . VAL 88 88 10051 1 . PHE 89 89 10051 1 . ALA 90 90 10051 1 . ILE 91 91 10051 1 . ASN 92 92 10051 1 . ASN 93 93 10051 1 . THR 94 94 10051 1 . LYS 95 95 10051 1 . SER 96 96 10051 1 . PHE 97 97 10051 1 . GLU 98 98 10051 1 . ASP 99 99 10051 1 . ILE 100 100 10051 1 . HIS 101 101 10051 1 . GLN 102 102 10051 1 . TYR 103 103 10051 1 . ARG 104 104 10051 1 . GLU 105 105 10051 1 . GLN 106 106 10051 1 . ILE 107 107 10051 1 . LYS 108 108 10051 1 . ARG 109 109 10051 1 . VAL 110 110 10051 1 . LYS 111 111 10051 1 . ASP 112 112 10051 1 . SER 113 113 10051 1 . ASP 114 114 10051 1 . ASP 115 115 10051 1 . VAL 116 116 10051 1 . PRO 117 117 10051 1 . MET 118 118 10051 1 . VAL 119 119 10051 1 . LEU 120 120 10051 1 . VAL 121 121 10051 1 . GLY 122 122 10051 1 . ASN 123 123 10051 1 . LYS 124 124 10051 1 . CYS 125 125 10051 1 . ASP 126 126 10051 1 . LEU 127 127 10051 1 . ALA 128 128 10051 1 . ALA 129 129 10051 1 . ARG 130 130 10051 1 . THR 131 131 10051 1 . VAL 132 132 10051 1 . GLU 133 133 10051 1 . SER 134 134 10051 1 . ARG 135 135 10051 1 . GLN 136 136 10051 1 . ALA 137 137 10051 1 . GLN 138 138 10051 1 . ASP 139 139 10051 1 . LEU 140 140 10051 1 . ALA 141 141 10051 1 . ARG 142 142 10051 1 . SER 143 143 10051 1 . TYR 144 144 10051 1 . GLY 145 145 10051 1 . ILE 146 146 10051 1 . PRO 147 147 10051 1 . TYR 148 148 10051 1 . ILE 149 149 10051 1 . GLU 150 150 10051 1 . THR 151 151 10051 1 . SER 152 152 10051 1 . ALA 153 153 10051 1 . LYS 154 154 10051 1 . THR 155 155 10051 1 . ARG 156 156 10051 1 . GLN 157 157 10051 1 . GLY 158 158 10051 1 . VAL 159 159 10051 1 . GLU 160 160 10051 1 . ASP 161 161 10051 1 . ALA 162 162 10051 1 . PHE 163 163 10051 1 . TYR 164 164 10051 1 . THR 165 165 10051 1 . LEU 166 166 10051 1 . VAL 167 167 10051 1 . ARG 168 168 10051 1 . GLU 169 169 10051 1 . ILE 170 170 10051 1 . ARG 171 171 10051 1 . GLN 172 172 10051 1 . HIS 173 173 10051 1 . LYS 174 174 10051 1 . LEU 175 175 10051 1 . ARG 176 176 10051 1 . LYS 177 177 10051 1 . LEU 178 178 10051 1 stop_ save_ save_GDP _Entity.Sf_category entity _Entity.Sf_framecode GDP _Entity.Entry_ID 10051 _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 . _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 . 10051 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 10051 _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 $RasY32W . 9606 . . . human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10051 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 10051 _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 $RasY32W . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . . . . . . . . 10051 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 10051 _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 EBI _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 Wed Sep 21 15:22:47 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 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 10051 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 10051 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 10051 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 10051 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 10051 GDP O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O SMILES ACDLabs 10.04 10051 GDP QGWNDRXFNXRZMB-UUOKFMHZSA-N InChIKey InChI 1.03 10051 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 '[(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 10051 GDP 'guanosine 5'-(trihydrogen diphosphate)' 'SYSTEMATIC NAME' ACDLabs 10.04 10051 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 . 10051 GDP O1B . O1B . . O . . N 0 . . . . no no . . . . 14.317 . 18.299 . 28.131 . -1.702 1.023 5.810 2 . 10051 GDP O2B . O2B . . O . . N 0 . . . . no no . . . . 14.465 . 15.868 . 28.851 . -2.120 -1.258 6.805 3 . 10051 GDP O3B . O3B . . O . . N 0 . . . . no no . . . . 12.657 . 17.014 . 29.609 . 0.294 -0.221 6.725 4 . 10051 GDP O3A . O3A . . O . . N 0 . . . . no no . . . . 13.031 . 16.438 . 26.904 . -0.887 -0.974 4.500 5 . 10051 GDP PA . PA . . P . . S 0 . . . . no no . . . . 12.164 . 17.382 . 25.843 . 0.120 0.001 3.711 6 . 10051 GDP O1A . O1A . . O . . N 0 . . . . no no . . . . 11.308 . 16.310 . 25.239 . -0.484 1.348 3.599 7 . 10051 GDP O2A . O2A . . O . . N 0 . . . . no no . . . . 11.654 . 18.737 . 26.082 . 1.510 0.102 4.517 8 . 10051 GDP O5' . O5' . . O . . N 0 . . . . no no . . . . 13.417 . 17.470 . 24.852 . 0.394 -0.587 2.238 9 . 10051 GDP C5' . C5' . . C . . N 0 . . . . no no . . . . 14.543 . 18.324 . 25.037 . 1.291 0.319 1.591 10 . 10051 GDP C4' . C4' . . C . . R 0 . . . . no no . . . . 15.043 . 18.710 . 23.648 . 1.595 -0.185 0.179 11 . 10051 GDP O4' . O4' . . O . . N 0 . . . . no no . . . . 15.183 . 17.536 . 22.793 . 0.383 -0.244 -0.604 12 . 10051 GDP C3' . C3' . . C . . S 0 . . . . no no . . . . 13.926 . 19.400 . 22.829 . 2.500 0.818 -0.568 13 . 10051 GDP O3' . O3' . . O . . N 0 . . . . no no . . . . 14.002 . 20.787 . 23.226 . 3.865 0.398 -0.512 14 . 10051 GDP C2' . C2' . . C . . R 0 . . . . no no . . . . 14.511 . 19.303 . 21.406 . 1.981 0.780 -2.024 15 . 10051 GDP O2' . O2' . . O . . N 0 . . . . no no . . . . 15.627 . 20.165 . 21.220 . 3.010 0.339 -2.912 16 . 10051 GDP C1' . C1' . . C . . R 0 . . . . no no . . . . 15.015 . 17.874 . 21.438 . 0.820 -0.238 -1.981 17 . 10051 GDP N9 . N9 . . N . . N 0 . . . . yes no . . . . 13.968 . 16.928 . 20.922 . -0.269 0.191 -2.860 18 . 10051 GDP C8 . C8 . . C . . N 0 . . . . yes no . . . . 13.129 . 16.056 . 21.555 . -1.309 1.006 -2.517 19 . 10051 GDP N7 . N7 . . N . . N 0 . . . . yes no . . . . 12.358 . 15.405 . 20.737 . -2.090 1.179 -3.543 20 . 10051 GDP C5 . C5 . . C . . N 0 . . . . yes no . . . . 12.701 . 15.869 . 19.474 . -1.600 0.488 -4.601 21 . 10051 GDP C6 . C6 . . C . . N 0 . . . . no no . . . . 12.214 . 15.545 . 18.183 . -2.019 0.310 -5.941 22 . 10051 GDP O6 . O6 . . O . . N 0 . . . . no no . . . . 11.326 . 14.728 . 17.882 . -3.032 0.847 -6.355 23 . 10051 GDP N1 . N1 . . N . . N 0 . . . . no no . . . . 12.870 . 16.282 . 17.187 . -1.266 -0.465 -6.751 24 . 10051 GDP C2 . C2 . . C . . N 0 . . . . no no . . . . 13.858 . 17.205 . 17.402 . -0.138 -1.065 -6.276 25 . 10051 GDP N2 . N2 . . N . . N 0 . . . . no no . . . . 14.348 . 17.795 . 16.316 . 0.603 -1.852 -7.120 26 . 10051 GDP N3 . N3 . . N . . N 0 . . . . no no . . . . 14.329 . 17.524 . 18.614 . 0.261 -0.908 -5.034 27 . 10051 GDP C4 . C4 . . C . . N 0 . . . . yes no . . . . 13.701 . 16.819 . 19.565 . -0.430 -0.150 -4.175 28 . 10051 GDP HOB2 . HOB2 . . H . . N 0 . . . . no no . . . . 14.023 . 15.045 . 29.026 . -2.230 -0.837 7.668 29 . 10051 GDP HOB3 . HOB3 . . H . . N 0 . . . . no no . . . . 12.215 . 16.191 . 29.784 . 0.640 -1.121 6.799 30 . 10051 GDP HOA2 . HOA2 . . H . . N 0 . . . . no no . . . . 11.159 . 19.276 . 25.476 . 1.869 -0.793 4.567 31 . 10051 GDP H5' . H5' . . H . . N 0 . . . . no no . . . . 14.323 . 19.205 . 25.683 . 2.217 0.382 2.162 32 . 10051 GDP H5'' . H5'' . . H . . N 0 . . . . no no . . . . 15.335 . 17.871 . 25.677 . 0.831 1.305 1.534 33 . 10051 GDP H4' . H4' . . H . . N 0 . . . . no no . . . . 15.966 . 19.302 . 23.846 . 2.068 -1.166 0.221 34 . 10051 GDP H3' . H3' . . H . . N 0 . . . . no no . . . . 12.892 . 18.995 . 22.935 . 2.392 1.817 -0.148 35 . 10051 GDP HO3' . HO3' . . H . . N 0 . . . . no yes . . . . 13.316 . 21.210 . 22.723 . 4.381 1.059 -0.993 36 . 10051 GDP H2' . H2' . . H . . N 0 . . . . no no . . . . 13.784 . 19.572 . 20.604 . 1.614 1.762 -2.324 37 . 10051 GDP HO2' . HO2' . . H . . N 0 . . . . no no . . . . 15.987 . 20.105 . 20.343 . 3.728 0.983 -2.849 38 . 10051 GDP H1' . H1' . . H . . N 0 . . . . no no . . . . 15.944 . 17.799 . 20.826 . 1.173 -1.227 -2.271 39 . 10051 GDP H8 . H8 . . H . . N 0 . . . . no no . . . . 13.078 . 15.890 . 22.644 . -1.460 1.442 -1.541 40 . 10051 GDP HN1 . HN1 . . H . . N 0 . . . . no no . . . . 12.603 . 16.132 . 16.213 . -1.533 -0.602 -7.674 41 . 10051 GDP HN21 . HN21 . . H . . N 0 . . . . no no . . . . 15.084 . 18.482 . 16.476 . 1.410 -2.283 -6.798 42 . 10051 GDP HN22 . HN22 . . H . . N 0 . . . . no no . . . . 13.590 . 18.216 . 15.778 . 0.319 -1.981 -8.039 43 . 10051 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 . 10051 GDP 2 . SING PB O2B no N 2 . 10051 GDP 3 . SING PB O3B no N 3 . 10051 GDP 4 . SING PB O3A no N 4 . 10051 GDP 5 . SING O2B HOB2 no N 5 . 10051 GDP 6 . SING O3B HOB3 no N 6 . 10051 GDP 7 . SING O3A PA no N 7 . 10051 GDP 8 . DOUB PA O1A no N 8 . 10051 GDP 9 . SING PA O2A no N 9 . 10051 GDP 10 . SING PA O5' no N 10 . 10051 GDP 11 . SING O2A HOA2 no N 11 . 10051 GDP 12 . SING O5' C5' no N 12 . 10051 GDP 13 . SING C5' C4' no N 13 . 10051 GDP 14 . SING C5' H5' no N 14 . 10051 GDP 15 . SING C5' H5'' no N 15 . 10051 GDP 16 . SING C4' O4' no N 16 . 10051 GDP 17 . SING C4' C3' no N 17 . 10051 GDP 18 . SING C4' H4' no N 18 . 10051 GDP 19 . SING O4' C1' no N 19 . 10051 GDP 20 . SING C3' O3' no N 20 . 10051 GDP 21 . SING C3' C2' no N 21 . 10051 GDP 22 . SING C3' H3' no N 22 . 10051 GDP 23 . SING O3' HO3' no N 23 . 10051 GDP 24 . SING C2' O2' no N 24 . 10051 GDP 25 . SING C2' C1' no N 25 . 10051 GDP 26 . SING C2' H2' no N 26 . 10051 GDP 27 . SING O2' HO2' no N 27 . 10051 GDP 28 . SING C1' N9 no N 28 . 10051 GDP 29 . SING C1' H1' no N 29 . 10051 GDP 30 . SING N9 C8 yes N 30 . 10051 GDP 31 . SING N9 C4 yes N 31 . 10051 GDP 32 . DOUB C8 N7 yes N 32 . 10051 GDP 33 . SING C8 H8 no N 33 . 10051 GDP 34 . SING N7 C5 yes N 34 . 10051 GDP 35 . SING C5 C6 no N 35 . 10051 GDP 36 . DOUB C5 C4 yes N 36 . 10051 GDP 37 . DOUB C6 O6 no N 37 . 10051 GDP 38 . SING C6 N1 no N 38 . 10051 GDP 39 . SING N1 C2 no N 39 . 10051 GDP 40 . SING N1 HN1 no N 40 . 10051 GDP 41 . SING C2 N2 no N 41 . 10051 GDP 42 . DOUB C2 N3 no N 42 . 10051 GDP 43 . SING N2 HN21 no N 43 . 10051 GDP 44 . SING N2 HN22 no N 44 . 10051 GDP 45 . SING N3 C4 no N 45 . 10051 GDP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10051 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 RasY32W '[U-13C; U-15N]' . . 1 $RasY32W . protein 1 . . mM . . . . 10051 1 2 'sodium phosphate' . . . . . . buffer 20 . . mM . . . . 10051 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10051 1 4 d-DTT . . . . . . salt 5 . . mM . . . . 10051 1 5 'magnesium chloride' . . . . . . salt 5 . . mM . . . . 10051 1 6 D2O . . . . . . solvent 10 . . % . . . . 10051 1 7 H2O . . . . . . solvent 90 . . % . . . . 10051 1 8 'sodium azide' . . . . . . salt 0.01 . . % . . . . 10051 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 10051 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.12 0.001 M 10051 1 pH 6.5 0.05 pH 10051 1 pressure 1 0.03 atm 10051 1 temperature 298 0.1 K 10051 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10051 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10051 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10051 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10051 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10051 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10051 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10051 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10051 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10051 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10051 _Software.ID 4 _Software.Name Kujira _Software.Version 0.913 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10051 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10051 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 10051 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10051 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H15N-HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10051 1 stop_ save_ save_2D_1H15N-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H15N-HSQC _NMR_spec_expt.Entry_ID 10051 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H15N-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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10051 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 10051 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 . indirect 1.0 . . . . . . . . . 10051 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 10051 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10051 _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 $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H15N-HSQC' 1 $sample_1 isotropic 10051 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 GLY H H 1 8.461 0.030 . 1 . . . . 4 GLY H . 10051 1 2 . 1 1 4 4 GLY N N 15 111.063 0.300 . 1 . . . . 4 GLY N . 10051 1 3 . 1 1 5 5 SER H H 1 8.304 0.030 . 1 . . . . 5 SER H . 10051 1 4 . 1 1 5 5 SER N N 15 115.903 0.300 . 1 . . . . 5 SER N . 10051 1 5 . 1 1 6 6 SER H H 1 8.440 0.030 . 1 . . . . 6 SER H . 10051 1 6 . 1 1 6 6 SER N N 15 117.826 0.300 . 1 . . . . 6 SER N . 10051 1 7 . 1 1 7 7 GLY H H 1 8.356 0.030 . 1 . . . . 7 GLY H . 10051 1 8 . 1 1 7 7 GLY N N 15 110.641 0.300 . 1 . . . . 7 GLY N . 10051 1 9 . 1 1 8 8 MET H H 1 8.009 0.030 . 1 . . . . 8 MET H . 10051 1 10 . 1 1 8 8 MET N N 15 119.888 0.300 . 1 . . . . 8 MET N . 10051 1 11 . 1 1 9 9 THR H H 1 8.667 0.030 . 1 . . . . 9 THR H . 10051 1 12 . 1 1 9 9 THR N N 15 122.668 0.300 . 1 . . . . 9 THR N . 10051 1 13 . 1 1 10 10 GLU H H 1 8.347 0.030 . 1 . . . . 10 GLU H . 10051 1 14 . 1 1 10 10 GLU N N 15 126.947 0.300 . 1 . . . . 10 GLU N . 10051 1 15 . 1 1 11 11 TYR H H 1 8.738 0.030 . 1 . . . . 11 TYR H . 10051 1 16 . 1 1 11 11 TYR N N 15 121.926 0.300 . 1 . . . . 11 TYR N . 10051 1 17 . 1 1 12 12 LYS H H 1 9.147 0.030 . 1 . . . . 12 LYS H . 10051 1 18 . 1 1 12 12 LYS N N 15 124.519 0.300 . 1 . . . . 12 LYS N . 10051 1 19 . 1 1 13 13 LEU H H 1 9.471 0.030 . 1 . . . . 13 LEU H . 10051 1 20 . 1 1 13 13 LEU N N 15 126.632 0.300 . 1 . . . . 13 LEU N . 10051 1 21 . 1 1 14 14 VAL H H 1 7.936 0.030 . 1 . . . . 14 VAL H . 10051 1 22 . 1 1 14 14 VAL N N 15 120.646 0.300 . 1 . . . . 14 VAL N . 10051 1 23 . 1 1 15 15 VAL H H 1 9.005 0.030 . 1 . . . . 15 VAL H . 10051 1 24 . 1 1 15 15 VAL N N 15 129.139 0.300 . 1 . . . . 15 VAL N . 10051 1 25 . 1 1 16 16 VAL H H 1 9.150 0.030 . 1 . . . . 16 VAL H . 10051 1 26 . 1 1 16 16 VAL N N 15 120.464 0.300 . 1 . . . . 16 VAL N . 10051 1 27 . 1 1 17 17 GLY H H 1 7.120 0.030 . 1 . . . . 17 GLY H . 10051 1 28 . 1 1 17 17 GLY N N 15 107.516 0.300 . 1 . . . . 17 GLY N . 10051 1 29 . 1 1 18 18 ALA H H 1 9.212 0.030 . 1 . . . . 18 ALA H . 10051 1 30 . 1 1 18 18 ALA N N 15 123.753 0.300 . 1 . . . . 18 ALA N . 10051 1 31 . 1 1 19 19 GLY H H 1 8.625 0.030 . 1 . . . . 19 GLY H . 10051 1 32 . 1 1 19 19 GLY N N 15 106.331 0.300 . 1 . . . . 19 GLY N . 10051 1 33 . 1 1 20 20 GLY H H 1 10.570 0.030 . 1 . . . . 20 GLY H . 10051 1 34 . 1 1 20 20 GLY N N 15 115.156 0.300 . 1 . . . . 20 GLY N . 10051 1 35 . 1 1 21 21 VAL H H 1 7.672 0.030 . 1 . . . . 21 VAL H . 10051 1 36 . 1 1 21 21 VAL N N 15 113.398 0.300 . 1 . . . . 21 VAL N . 10051 1 37 . 1 1 22 22 GLY H H 1 8.568 0.030 . 1 . . . . 22 GLY H . 10051 1 38 . 1 1 22 22 GLY N N 15 109.422 0.300 . 1 . . . . 22 GLY N . 10051 1 39 . 1 1 23 23 LYS H H 1 10.575 0.030 . 1 . . . . 23 LYS H . 10051 1 40 . 1 1 23 23 LYS N N 15 125.411 0.300 . 1 . . . . 23 LYS N . 10051 1 41 . 1 1 24 24 SER H H 1 9.295 0.030 . 1 . . . . 24 SER H . 10051 1 42 . 1 1 24 24 SER N N 15 120.438 0.300 . 1 . . . . 24 SER N . 10051 1 43 . 1 1 25 25 ALA H H 1 9.586 0.030 . 1 . . . . 25 ALA H . 10051 1 44 . 1 1 25 25 ALA N N 15 125.405 0.300 . 1 . . . . 25 ALA N . 10051 1 45 . 1 1 26 26 LEU H H 1 9.008 0.030 . 1 . . . . 26 LEU H . 10051 1 46 . 1 1 26 26 LEU N N 15 120.349 0.300 . 1 . . . . 26 LEU N . 10051 1 47 . 1 1 27 27 THR H H 1 7.658 0.030 . 1 . . . . 27 THR H . 10051 1 48 . 1 1 27 27 THR N N 15 116.904 0.300 . 1 . . . . 27 THR N . 10051 1 49 . 1 1 28 28 ILE H H 1 8.871 0.030 . 1 . . . . 28 ILE H . 10051 1 50 . 1 1 28 28 ILE N N 15 120.454 0.300 . 1 . . . . 28 ILE N . 10051 1 51 . 1 1 29 29 GLN H H 1 7.835 0.030 . 1 . . . . 29 GLN H . 10051 1 52 . 1 1 29 29 GLN N N 15 121.062 0.300 . 1 . . . . 29 GLN N . 10051 1 53 . 1 1 30 30 LEU H H 1 7.603 0.030 . 1 . . . . 30 LEU H . 10051 1 54 . 1 1 30 30 LEU N N 15 120.468 0.300 . 1 . . . . 30 LEU N . 10051 1 55 . 1 1 31 31 ILE H H 1 8.141 0.030 . 1 . . . . 31 ILE H . 10051 1 56 . 1 1 31 31 ILE N N 15 114.146 0.300 . 1 . . . . 31 ILE N . 10051 1 57 . 1 1 32 32 GLN H H 1 8.966 0.030 . 1 . . . . 32 GLN H . 10051 1 58 . 1 1 32 32 GLN N N 15 115.844 0.300 . 1 . . . . 32 GLN N . 10051 1 59 . 1 1 33 33 ASN H H 1 7.914 0.030 . 1 . . . . 33 ASN H . 10051 1 60 . 1 1 33 33 ASN N N 15 116.553 0.300 . 1 . . . . 33 ASN N . 10051 1 61 . 1 1 34 34 HIS H H 1 6.733 0.030 . 1 . . . . 34 HIS H . 10051 1 62 . 1 1 34 34 HIS N N 15 110.857 0.300 . 1 . . . . 34 HIS N . 10051 1 63 . 1 1 35 35 PHE H H 1 8.589 0.030 . 1 . . . . 35 PHE H . 10051 1 64 . 1 1 35 35 PHE N N 15 122.396 0.300 . 1 . . . . 35 PHE N . 10051 1 65 . 1 1 36 36 VAL H H 1 7.753 0.030 . 1 . . . . 36 VAL H . 10051 1 66 . 1 1 36 36 VAL N N 15 125.698 0.300 . 1 . . . . 36 VAL N . 10051 1 67 . 1 1 37 37 ASP H H 1 7.919 0.030 . 1 . . . . 37 ASP H . 10051 1 68 . 1 1 37 37 ASP N N 15 122.223 0.300 . 1 . . . . 37 ASP N . 10051 1 69 . 1 1 38 38 GLU H H 1 7.702 0.030 . 1 . . . . 38 GLU H . 10051 1 70 . 1 1 38 38 GLU N N 15 119.135 0.300 . 1 . . . . 38 GLU N . 10051 1 71 . 1 1 39 39 TRP H H 1 9.005 0.030 . 1 . . . . 39 TRP H . 10051 1 72 . 1 1 39 39 TRP N N 15 126.895 0.300 . 1 . . . . 39 TRP N . 10051 1 73 . 1 1 40 40 ASP H H 1 7.786 0.030 . 1 . . . . 40 ASP H . 10051 1 74 . 1 1 40 40 ASP N N 15 130.179 0.300 . 1 . . . . 40 ASP N . 10051 1 75 . 1 1 42 42 THR H H 1 9.024 0.030 . 1 . . . . 42 THR H . 10051 1 76 . 1 1 42 42 THR N N 15 109.435 0.300 . 1 . . . . 42 THR N . 10051 1 77 . 1 1 43 43 ILE H H 1 6.917 0.030 . 1 . . . . 43 ILE H . 10051 1 78 . 1 1 43 43 ILE N N 15 120.768 0.300 . 1 . . . . 43 ILE N . 10051 1 79 . 1 1 44 44 GLU H H 1 8.516 0.030 . 1 . . . . 44 GLU H . 10051 1 80 . 1 1 44 44 GLU N N 15 133.956 0.300 . 1 . . . . 44 GLU N . 10051 1 81 . 1 1 45 45 ASP H H 1 8.175 0.030 . 1 . . . . 45 ASP H . 10051 1 82 . 1 1 45 45 ASP N N 15 123.826 0.300 . 1 . . . . 45 ASP N . 10051 1 83 . 1 1 46 46 SER H H 1 8.499 0.030 . 1 . . . . 46 SER H . 10051 1 84 . 1 1 46 46 SER N N 15 114.621 0.300 . 1 . . . . 46 SER N . 10051 1 85 . 1 1 47 47 TYR H H 1 9.135 0.030 . 1 . . . . 47 TYR H . 10051 1 86 . 1 1 47 47 TYR N N 15 122.173 0.300 . 1 . . . . 47 TYR N . 10051 1 87 . 1 1 48 48 ARG H H 1 8.414 0.030 . 1 . . . . 48 ARG H . 10051 1 88 . 1 1 48 48 ARG N N 15 120.595 0.300 . 1 . . . . 48 ARG N . 10051 1 89 . 1 1 49 49 LYS H H 1 8.569 0.030 . 1 . . . . 49 LYS H . 10051 1 90 . 1 1 49 49 LYS N N 15 121.593 0.300 . 1 . . . . 49 LYS N . 10051 1 91 . 1 1 50 50 GLN H H 1 8.823 0.030 . 1 . . . . 50 GLN H . 10051 1 92 . 1 1 50 50 GLN N N 15 128.920 0.300 . 1 . . . . 50 GLN N . 10051 1 93 . 1 1 51 51 VAL H H 1 9.104 0.030 . 1 . . . . 51 VAL H . 10051 1 94 . 1 1 51 51 VAL N N 15 121.614 0.300 . 1 . . . . 51 VAL N . 10051 1 95 . 1 1 52 52 VAL H H 1 8.055 0.030 . 1 . . . . 52 VAL H . 10051 1 96 . 1 1 52 52 VAL N N 15 121.630 0.300 . 1 . . . . 52 VAL N . 10051 1 97 . 1 1 53 53 ILE H H 1 8.262 0.030 . 1 . . . . 53 ILE H . 10051 1 98 . 1 1 53 53 ILE N N 15 125.735 0.300 . 1 . . . . 53 ILE N . 10051 1 99 . 1 1 54 54 ASP H H 1 9.587 0.030 . 1 . . . . 54 ASP H . 10051 1 100 . 1 1 54 54 ASP N N 15 130.576 0.300 . 1 . . . . 54 ASP N . 10051 1 101 . 1 1 55 55 GLY H H 1 8.300 0.030 . 1 . . . . 55 GLY H . 10051 1 102 . 1 1 55 55 GLY N N 15 103.476 0.300 . 1 . . . . 55 GLY N . 10051 1 103 . 1 1 56 56 GLU H H 1 7.682 0.030 . 1 . . . . 56 GLU H . 10051 1 104 . 1 1 56 56 GLU N N 15 122.818 0.300 . 1 . . . . 56 GLU N . 10051 1 105 . 1 1 57 57 THR H H 1 9.000 0.030 . 1 . . . . 57 THR H . 10051 1 106 . 1 1 57 57 THR N N 15 126.232 0.300 . 1 . . . . 57 THR N . 10051 1 107 . 1 1 58 58 CYS H H 1 9.392 0.030 . 1 . . . . 58 CYS H . 10051 1 108 . 1 1 58 58 CYS N N 15 124.753 0.300 . 1 . . . . 58 CYS N . 10051 1 109 . 1 1 59 59 LEU H H 1 8.788 0.030 . 1 . . . . 59 LEU H . 10051 1 110 . 1 1 59 59 LEU N N 15 122.470 0.300 . 1 . . . . 59 LEU N . 10051 1 111 . 1 1 60 60 LEU H H 1 9.016 0.030 . 1 . . . . 60 LEU H . 10051 1 112 . 1 1 60 60 LEU N N 15 123.711 0.300 . 1 . . . . 60 LEU N . 10051 1 113 . 1 1 61 61 ASP H H 1 8.652 0.030 . 1 . . . . 61 ASP H . 10051 1 114 . 1 1 61 61 ASP N N 15 125.410 0.300 . 1 . . . . 61 ASP N . 10051 1 115 . 1 1 62 62 ILE H H 1 9.183 0.030 . 1 . . . . 62 ILE H . 10051 1 116 . 1 1 62 62 ILE N N 15 123.876 0.300 . 1 . . . . 62 ILE N . 10051 1 117 . 1 1 63 63 LEU H H 1 8.803 0.030 . 1 . . . . 63 LEU H . 10051 1 118 . 1 1 63 63 LEU N N 15 127.915 0.300 . 1 . . . . 63 LEU N . 10051 1 119 . 1 1 64 64 ASP H H 1 8.572 0.030 . 1 . . . . 64 ASP H . 10051 1 120 . 1 1 64 64 ASP N N 15 129.383 0.300 . 1 . . . . 64 ASP N . 10051 1 121 . 1 1 65 65 THR H H 1 6.728 0.030 . 1 . . . . 65 THR H . 10051 1 122 . 1 1 65 65 THR N N 15 110.373 0.300 . 1 . . . . 65 THR N . 10051 1 123 . 1 1 66 66 ALA H H 1 9.175 0.030 . 1 . . . . 66 ALA H . 10051 1 124 . 1 1 66 66 ALA N N 15 121.157 0.300 . 1 . . . . 66 ALA N . 10051 1 125 . 1 1 67 67 GLY H H 1 8.309 0.030 . 1 . . . . 67 GLY H . 10051 1 126 . 1 1 67 67 GLY N N 15 108.129 0.300 . 1 . . . . 67 GLY N . 10051 1 127 . 1 1 68 68 GLN H H 1 8.614 0.030 . 1 . . . . 68 GLN H . 10051 1 128 . 1 1 68 68 GLN N N 15 119.127 0.300 . 1 . . . . 68 GLN N . 10051 1 129 . 1 1 69 69 GLU H H 1 8.763 0.030 . 1 . . . . 69 GLU H . 10051 1 130 . 1 1 69 69 GLU N N 15 120.712 0.300 . 1 . . . . 69 GLU N . 10051 1 131 . 1 1 70 70 GLU H H 1 8.330 0.030 . 1 . . . . 70 GLU H . 10051 1 132 . 1 1 70 70 GLU N N 15 120.144 0.300 . 1 . . . . 70 GLU N . 10051 1 133 . 1 1 71 71 TYR H H 1 8.254 0.030 . 1 . . . . 71 TYR H . 10051 1 134 . 1 1 71 71 TYR N N 15 120.848 0.300 . 1 . . . . 71 TYR N . 10051 1 135 . 1 1 72 72 SER H H 1 7.900 0.030 . 1 . . . . 72 SER H . 10051 1 136 . 1 1 72 72 SER N N 15 119.859 0.300 . 1 . . . . 72 SER N . 10051 1 137 . 1 1 73 73 ALA H H 1 8.807 0.030 . 1 . . . . 73 ALA H . 10051 1 138 . 1 1 73 73 ALA N N 15 128.969 0.300 . 1 . . . . 73 ALA N . 10051 1 139 . 1 1 74 74 MET H H 1 8.237 0.030 . 1 . . . . 74 MET H . 10051 1 140 . 1 1 74 74 MET N N 15 117.668 0.300 . 1 . . . . 74 MET N . 10051 1 141 . 1 1 75 75 ARG H H 1 7.814 0.030 . 1 . . . . 75 ARG H . 10051 1 142 . 1 1 75 75 ARG N N 15 120.921 0.300 . 1 . . . . 75 ARG N . 10051 1 143 . 1 1 76 76 ASP H H 1 8.076 0.030 . 1 . . . . 76 ASP H . 10051 1 144 . 1 1 76 76 ASP N N 15 118.430 0.300 . 1 . . . . 76 ASP N . 10051 1 145 . 1 1 77 77 GLN H H 1 7.801 0.030 . 1 . . . . 77 GLN H . 10051 1 146 . 1 1 77 77 GLN N N 15 117.402 0.300 . 1 . . . . 77 GLN N . 10051 1 147 . 1 1 78 78 TYR H H 1 8.222 0.030 . 1 . . . . 78 TYR H . 10051 1 148 . 1 1 78 78 TYR N N 15 119.531 0.300 . 1 . . . . 78 TYR N . 10051 1 149 . 1 1 79 79 MET H H 1 8.521 0.030 . 1 . . . . 79 MET H . 10051 1 150 . 1 1 79 79 MET N N 15 119.540 0.300 . 1 . . . . 79 MET N . 10051 1 151 . 1 1 80 80 ARG H H 1 7.983 0.030 . 1 . . . . 80 ARG H . 10051 1 152 . 1 1 80 80 ARG N N 15 116.022 0.300 . 1 . . . . 80 ARG N . 10051 1 153 . 1 1 81 81 THR H H 1 7.933 0.030 . 1 . . . . 81 THR H . 10051 1 154 . 1 1 81 81 THR N N 15 108.138 0.300 . 1 . . . . 81 THR N . 10051 1 155 . 1 1 82 82 GLY H H 1 7.985 0.030 . 1 . . . . 82 GLY H . 10051 1 156 . 1 1 82 82 GLY N N 15 111.124 0.300 . 1 . . . . 82 GLY N . 10051 1 157 . 1 1 83 83 GLU H H 1 8.876 0.030 . 1 . . . . 83 GLU H . 10051 1 158 . 1 1 83 83 GLU N N 15 121.918 0.300 . 1 . . . . 83 GLU N . 10051 1 159 . 1 1 84 84 GLY H H 1 7.166 0.030 . 1 . . . . 84 GLY H . 10051 1 160 . 1 1 84 84 GLY N N 15 100.871 0.300 . 1 . . . . 84 GLY N . 10051 1 161 . 1 1 85 85 PHE H H 1 8.160 0.030 . 1 . . . . 85 PHE H . 10051 1 162 . 1 1 85 85 PHE N N 15 121.185 0.300 . 1 . . . . 85 PHE N . 10051 1 163 . 1 1 86 86 LEU H H 1 9.213 0.030 . 1 . . . . 86 LEU H . 10051 1 164 . 1 1 86 86 LEU N N 15 126.622 0.300 . 1 . . . . 86 LEU N . 10051 1 165 . 1 1 87 87 CYS H H 1 8.694 0.030 . 1 . . . . 87 CYS H . 10051 1 166 . 1 1 87 87 CYS N N 15 124.502 0.300 . 1 . . . . 87 CYS N . 10051 1 167 . 1 1 88 88 VAL H H 1 8.955 0.030 . 1 . . . . 88 VAL H . 10051 1 168 . 1 1 88 88 VAL N N 15 125.943 0.300 . 1 . . . . 88 VAL N . 10051 1 169 . 1 1 89 89 PHE H H 1 9.253 0.030 . 1 . . . . 89 PHE H . 10051 1 170 . 1 1 89 89 PHE N N 15 123.826 0.300 . 1 . . . . 89 PHE N . 10051 1 171 . 1 1 90 90 ALA H H 1 8.671 0.030 . 1 . . . . 90 ALA H . 10051 1 172 . 1 1 90 90 ALA N N 15 121.083 0.300 . 1 . . . . 90 ALA N . 10051 1 173 . 1 1 91 91 ILE H H 1 8.469 0.030 . 1 . . . . 91 ILE H . 10051 1 174 . 1 1 91 91 ILE N N 15 113.240 0.300 . 1 . . . . 91 ILE N . 10051 1 175 . 1 1 92 92 ASN H H 1 7.867 0.030 . 1 . . . . 92 ASN H . 10051 1 176 . 1 1 92 92 ASN N N 15 117.102 0.300 . 1 . . . . 92 ASN N . 10051 1 177 . 1 1 93 93 ASN H H 1 7.932 0.030 . 1 . . . . 93 ASN H . 10051 1 178 . 1 1 93 93 ASN N N 15 119.284 0.300 . 1 . . . . 93 ASN N . 10051 1 179 . 1 1 94 94 THR H H 1 9.238 0.030 . 1 . . . . 94 THR H . 10051 1 180 . 1 1 94 94 THR N N 15 124.474 0.300 . 1 . . . . 94 THR N . 10051 1 181 . 1 1 95 95 LYS H H 1 8.444 0.030 . 1 . . . . 95 LYS H . 10051 1 182 . 1 1 95 95 LYS N N 15 124.102 0.300 . 1 . . . . 95 LYS N . 10051 1 183 . 1 1 96 96 SER H H 1 8.069 0.030 . 1 . . . . 96 SER H . 10051 1 184 . 1 1 96 96 SER N N 15 114.332 0.300 . 1 . . . . 96 SER N . 10051 1 185 . 1 1 97 97 PHE H H 1 7.398 0.030 . 1 . . . . 97 PHE H . 10051 1 186 . 1 1 97 97 PHE N N 15 124.640 0.300 . 1 . . . . 97 PHE N . 10051 1 187 . 1 1 98 98 GLU H H 1 8.452 0.030 . 1 . . . . 98 GLU H . 10051 1 188 . 1 1 98 98 GLU N N 15 121.675 0.300 . 1 . . . . 98 GLU N . 10051 1 189 . 1 1 99 99 ASP H H 1 8.452 0.030 . 1 . . . . 99 ASP H . 10051 1 190 . 1 1 99 99 ASP N N 15 117.376 0.300 . 1 . . . . 99 ASP N . 10051 1 191 . 1 1 100 100 ILE H H 1 7.555 0.030 . 1 . . . . 100 ILE H . 10051 1 192 . 1 1 100 100 ILE N N 15 120.397 0.300 . 1 . . . . 100 ILE N . 10051 1 193 . 1 1 101 101 HIS H H 1 7.772 0.030 . 1 . . . . 101 HIS H . 10051 1 194 . 1 1 101 101 HIS N N 15 116.866 0.300 . 1 . . . . 101 HIS N . 10051 1 195 . 1 1 102 102 GLN H H 1 7.434 0.030 . 1 . . . . 102 GLN H . 10051 1 196 . 1 1 102 102 GLN N N 15 116.654 0.300 . 1 . . . . 102 GLN N . 10051 1 197 . 1 1 103 103 TYR H H 1 7.526 0.030 . 1 . . . . 103 TYR H . 10051 1 198 . 1 1 103 103 TYR N N 15 119.160 0.300 . 1 . . . . 103 TYR N . 10051 1 199 . 1 1 104 104 ARG H H 1 8.367 0.030 . 1 . . . . 104 ARG H . 10051 1 200 . 1 1 104 104 ARG N N 15 118.669 0.300 . 1 . . . . 104 ARG N . 10051 1 201 . 1 1 105 105 GLU H H 1 7.967 0.030 . 1 . . . . 105 GLU H . 10051 1 202 . 1 1 105 105 GLU N N 15 117.391 0.300 . 1 . . . . 105 GLU N . 10051 1 203 . 1 1 106 106 GLN H H 1 7.853 0.030 . 1 . . . . 106 GLN H . 10051 1 204 . 1 1 106 106 GLN N N 15 119.841 0.300 . 1 . . . . 106 GLN N . 10051 1 205 . 1 1 107 107 ILE H H 1 7.797 0.030 . 1 . . . . 107 ILE H . 10051 1 206 . 1 1 107 107 ILE N N 15 119.952 0.300 . 1 . . . . 107 ILE N . 10051 1 207 . 1 1 108 108 LYS H H 1 7.845 0.030 . 1 . . . . 108 LYS H . 10051 1 208 . 1 1 108 108 LYS N N 15 117.416 0.300 . 1 . . . . 108 LYS N . 10051 1 209 . 1 1 109 109 ARG H H 1 7.771 0.030 . 1 . . . . 109 ARG H . 10051 1 210 . 1 1 109 109 ARG N N 15 117.876 0.300 . 1 . . . . 109 ARG N . 10051 1 211 . 1 1 110 110 VAL H H 1 8.067 0.030 . 1 . . . . 110 VAL H . 10051 1 212 . 1 1 110 110 VAL N N 15 118.394 0.300 . 1 . . . . 110 VAL N . 10051 1 213 . 1 1 111 111 LYS H H 1 8.060 0.030 . 1 . . . . 111 LYS H . 10051 1 214 . 1 1 111 111 LYS N N 15 116.481 0.300 . 1 . . . . 111 LYS N . 10051 1 215 . 1 1 112 112 ASP H H 1 7.993 0.030 . 1 . . . . 112 ASP H . 10051 1 216 . 1 1 112 112 ASP N N 15 120.649 0.300 . 1 . . . . 112 ASP N . 10051 1 217 . 1 1 113 113 SER H H 1 7.472 0.030 . 1 . . . . 113 SER H . 10051 1 218 . 1 1 113 113 SER N N 15 108.874 0.300 . 1 . . . . 113 SER N . 10051 1 219 . 1 1 114 114 ASP H H 1 8.276 0.030 . 1 . . . . 114 ASP H . 10051 1 220 . 1 1 114 114 ASP N N 15 121.472 0.300 . 1 . . . . 114 ASP N . 10051 1 221 . 1 1 115 115 ASP H H 1 8.473 0.030 . 1 . . . . 115 ASP H . 10051 1 222 . 1 1 115 115 ASP N N 15 121.550 0.300 . 1 . . . . 115 ASP N . 10051 1 223 . 1 1 116 116 VAL H H 1 7.570 0.030 . 1 . . . . 116 VAL H . 10051 1 224 . 1 1 116 116 VAL N N 15 121.630 0.300 . 1 . . . . 116 VAL N . 10051 1 225 . 1 1 118 118 MET H H 1 8.194 0.030 . 1 . . . . 118 MET H . 10051 1 226 . 1 1 118 118 MET N N 15 123.001 0.300 . 1 . . . . 118 MET N . 10051 1 227 . 1 1 119 119 VAL H H 1 8.055 0.030 . 1 . . . . 119 VAL H . 10051 1 228 . 1 1 119 119 VAL N N 15 118.170 0.300 . 1 . . . . 119 VAL N . 10051 1 229 . 1 1 120 120 LEU H H 1 8.889 0.030 . 1 . . . . 120 LEU H . 10051 1 230 . 1 1 120 120 LEU N N 15 129.066 0.300 . 1 . . . . 120 LEU N . 10051 1 231 . 1 1 121 121 VAL H H 1 9.171 0.030 . 1 . . . . 121 VAL H . 10051 1 232 . 1 1 121 121 VAL N N 15 128.186 0.300 . 1 . . . . 121 VAL N . 10051 1 233 . 1 1 122 122 GLY H H 1 7.997 0.030 . 1 . . . . 122 GLY H . 10051 1 234 . 1 1 122 122 GLY N N 15 114.426 0.300 . 1 . . . . 122 GLY N . 10051 1 235 . 1 1 123 123 ASN H H 1 8.731 0.030 . 1 . . . . 123 ASN H . 10051 1 236 . 1 1 123 123 ASN N N 15 121.171 0.300 . 1 . . . . 123 ASN N . 10051 1 237 . 1 1 124 124 LYS H H 1 7.331 0.030 . 1 . . . . 124 LYS H . 10051 1 238 . 1 1 124 124 LYS N N 15 112.136 0.300 . 1 . . . . 124 LYS N . 10051 1 239 . 1 1 125 125 CYS H H 1 8.762 0.030 . 1 . . . . 125 CYS H . 10051 1 240 . 1 1 125 125 CYS N N 15 114.191 0.300 . 1 . . . . 125 CYS N . 10051 1 241 . 1 1 126 126 ASP H H 1 8.609 0.030 . 1 . . . . 126 ASP H . 10051 1 242 . 1 1 126 126 ASP N N 15 117.391 0.300 . 1 . . . . 126 ASP N . 10051 1 243 . 1 1 127 127 LEU H H 1 7.788 0.030 . 1 . . . . 127 LEU H . 10051 1 244 . 1 1 127 127 LEU N N 15 120.889 0.300 . 1 . . . . 127 LEU N . 10051 1 245 . 1 1 128 128 ALA H H 1 8.138 0.030 . 1 . . . . 128 ALA H . 10051 1 246 . 1 1 128 128 ALA N N 15 122.698 0.300 . 1 . . . . 128 ALA N . 10051 1 247 . 1 1 129 129 ALA H H 1 7.677 0.030 . 1 . . . . 129 ALA H . 10051 1 248 . 1 1 129 129 ALA N N 15 121.670 0.300 . 1 . . . . 129 ALA N . 10051 1 249 . 1 1 130 130 ARG H H 1 8.002 0.030 . 1 . . . . 130 ARG H . 10051 1 250 . 1 1 130 130 ARG N N 15 120.055 0.300 . 1 . . . . 130 ARG N . 10051 1 251 . 1 1 131 131 THR H H 1 9.101 0.030 . 1 . . . . 131 THR H . 10051 1 252 . 1 1 131 131 THR N N 15 114.027 0.300 . 1 . . . . 131 THR N . 10051 1 253 . 1 1 132 132 VAL H H 1 7.619 0.030 . 1 . . . . 132 VAL H . 10051 1 254 . 1 1 132 132 VAL N N 15 124.508 0.300 . 1 . . . . 132 VAL N . 10051 1 255 . 1 1 133 133 GLU H H 1 8.722 0.030 . 1 . . . . 133 GLU H . 10051 1 256 . 1 1 133 133 GLU N N 15 127.146 0.300 . 1 . . . . 133 GLU N . 10051 1 257 . 1 1 134 134 SER H H 1 9.413 0.030 . 1 . . . . 134 SER H . 10051 1 258 . 1 1 134 134 SER N N 15 121.707 0.300 . 1 . . . . 134 SER N . 10051 1 259 . 1 1 135 135 ARG H H 1 8.650 0.030 . 1 . . . . 135 ARG H . 10051 1 260 . 1 1 135 135 ARG N N 15 117.864 0.300 . 1 . . . . 135 ARG N . 10051 1 261 . 1 1 136 136 GLN H H 1 6.775 0.030 . 1 . . . . 136 GLN H . 10051 1 262 . 1 1 136 136 GLN N N 15 116.845 0.300 . 1 . . . . 136 GLN N . 10051 1 263 . 1 1 137 137 ALA H H 1 7.004 0.030 . 1 . . . . 137 ALA H . 10051 1 264 . 1 1 137 137 ALA N N 15 123.455 0.300 . 1 . . . . 137 ALA N . 10051 1 265 . 1 1 138 138 GLN H H 1 8.588 0.030 . 1 . . . . 138 GLN H . 10051 1 266 . 1 1 138 138 GLN N N 15 117.935 0.300 . 1 . . . . 138 GLN N . 10051 1 267 . 1 1 139 139 ASP H H 1 8.194 0.030 . 1 . . . . 139 ASP H . 10051 1 268 . 1 1 139 139 ASP N N 15 120.087 0.300 . 1 . . . . 139 ASP N . 10051 1 269 . 1 1 140 140 LEU H H 1 7.452 0.030 . 1 . . . . 140 LEU H . 10051 1 270 . 1 1 140 140 LEU N N 15 123.566 0.300 . 1 . . . . 140 LEU N . 10051 1 271 . 1 1 141 141 ALA H H 1 8.398 0.030 . 1 . . . . 141 ALA H . 10051 1 272 . 1 1 141 141 ALA N N 15 121.781 0.300 . 1 . . . . 141 ALA N . 10051 1 273 . 1 1 142 142 ARG H H 1 8.453 0.030 . 1 . . . . 142 ARG H . 10051 1 274 . 1 1 142 142 ARG N N 15 118.308 0.300 . 1 . . . . 142 ARG N . 10051 1 275 . 1 1 143 143 SER H H 1 7.920 0.030 . 1 . . . . 143 SER H . 10051 1 276 . 1 1 143 143 SER N N 15 117.734 0.300 . 1 . . . . 143 SER N . 10051 1 277 . 1 1 144 144 TYR H H 1 7.599 0.030 . 1 . . . . 144 TYR H . 10051 1 278 . 1 1 144 144 TYR N N 15 120.095 0.300 . 1 . . . . 144 TYR N . 10051 1 279 . 1 1 145 145 GLY H H 1 8.299 0.030 . 1 . . . . 145 GLY H . 10051 1 280 . 1 1 145 145 GLY N N 15 110.948 0.300 . 1 . . . . 145 GLY N . 10051 1 281 . 1 1 146 146 ILE H H 1 8.031 0.030 . 1 . . . . 146 ILE H . 10051 1 282 . 1 1 146 146 ILE N N 15 112.925 0.300 . 1 . . . . 146 ILE N . 10051 1 283 . 1 1 148 148 TYR H H 1 8.245 0.030 . 1 . . . . 148 TYR H . 10051 1 284 . 1 1 148 148 TYR N N 15 119.982 0.300 . 1 . . . . 148 TYR N . 10051 1 285 . 1 1 149 149 ILE H H 1 8.476 0.030 . 1 . . . . 149 ILE H . 10051 1 286 . 1 1 149 149 ILE N N 15 130.144 0.300 . 1 . . . . 149 ILE N . 10051 1 287 . 1 1 150 150 GLU H H 1 7.809 0.030 . 1 . . . . 150 GLU H . 10051 1 288 . 1 1 150 150 GLU N N 15 124.637 0.300 . 1 . . . . 150 GLU N . 10051 1 289 . 1 1 151 151 THR H H 1 8.741 0.030 . 1 . . . . 151 THR H . 10051 1 290 . 1 1 151 151 THR N N 15 112.232 0.300 . 1 . . . . 151 THR N . 10051 1 291 . 1 1 152 152 SER H H 1 8.834 0.030 . 1 . . . . 152 SER H . 10051 1 292 . 1 1 152 152 SER N N 15 112.654 0.300 . 1 . . . . 152 SER N . 10051 1 293 . 1 1 153 153 ALA H H 1 9.094 0.030 . 1 . . . . 153 ALA H . 10051 1 294 . 1 1 153 153 ALA N N 15 132.404 0.300 . 1 . . . . 153 ALA N . 10051 1 295 . 1 1 154 154 LYS H H 1 6.970 0.030 . 1 . . . . 154 LYS H . 10051 1 296 . 1 1 154 154 LYS N N 15 116.042 0.300 . 1 . . . . 154 LYS N . 10051 1 297 . 1 1 155 155 THR H H 1 7.696 0.030 . 1 . . . . 155 THR H . 10051 1 298 . 1 1 155 155 THR N N 15 106.400 0.300 . 1 . . . . 155 THR N . 10051 1 299 . 1 1 156 156 ARG H H 1 7.813 0.030 . 1 . . . . 156 ARG H . 10051 1 300 . 1 1 156 156 ARG N N 15 118.415 0.300 . 1 . . . . 156 ARG N . 10051 1 301 . 1 1 157 157 GLN H H 1 7.822 0.030 . 1 . . . . 157 GLN H . 10051 1 302 . 1 1 157 157 GLN N N 15 124.320 0.300 . 1 . . . . 157 GLN N . 10051 1 303 . 1 1 158 158 GLY H H 1 8.908 0.030 . 1 . . . . 158 GLY H . 10051 1 304 . 1 1 158 158 GLY N N 15 115.225 0.300 . 1 . . . . 158 GLY N . 10051 1 305 . 1 1 159 159 VAL H H 1 7.066 0.030 . 1 . . . . 159 VAL H . 10051 1 306 . 1 1 159 159 VAL N N 15 120.601 0.300 . 1 . . . . 159 VAL N . 10051 1 307 . 1 1 160 160 GLU H H 1 8.234 0.030 . 1 . . . . 160 GLU H . 10051 1 308 . 1 1 160 160 GLU N N 15 116.786 0.300 . 1 . . . . 160 GLU N . 10051 1 309 . 1 1 161 161 ASP H H 1 8.135 0.030 . 1 . . . . 161 ASP H . 10051 1 310 . 1 1 161 161 ASP N N 15 116.477 0.300 . 1 . . . . 161 ASP N . 10051 1 311 . 1 1 162 162 ALA H H 1 8.593 0.030 . 1 . . . . 162 ALA H . 10051 1 312 . 1 1 162 162 ALA N N 15 124.091 0.300 . 1 . . . . 162 ALA N . 10051 1 313 . 1 1 163 163 PHE H H 1 7.243 0.030 . 1 . . . . 163 PHE H . 10051 1 314 . 1 1 163 163 PHE N N 15 112.612 0.300 . 1 . . . . 163 PHE N . 10051 1 315 . 1 1 164 164 TYR H H 1 9.649 0.030 . 1 . . . . 164 TYR H . 10051 1 316 . 1 1 164 164 TYR N N 15 119.392 0.300 . 1 . . . . 164 TYR N . 10051 1 317 . 1 1 165 165 THR H H 1 8.516 0.030 . 1 . . . . 165 THR H . 10051 1 318 . 1 1 165 165 THR N N 15 117.134 0.300 . 1 . . . . 165 THR N . 10051 1 319 . 1 1 166 166 LEU H H 1 7.236 0.030 . 1 . . . . 166 LEU H . 10051 1 320 . 1 1 166 166 LEU N N 15 121.663 0.300 . 1 . . . . 166 LEU N . 10051 1 321 . 1 1 167 167 VAL H H 1 7.631 0.030 . 1 . . . . 167 VAL H . 10051 1 322 . 1 1 167 167 VAL N N 15 119.337 0.300 . 1 . . . . 167 VAL N . 10051 1 323 . 1 1 168 168 ARG H H 1 8.148 0.030 . 1 . . . . 168 ARG H . 10051 1 324 . 1 1 168 168 ARG N N 15 119.342 0.300 . 1 . . . . 168 ARG N . 10051 1 325 . 1 1 169 169 GLU H H 1 8.367 0.030 . 1 . . . . 169 GLU H . 10051 1 326 . 1 1 169 169 GLU N N 15 119.600 0.300 . 1 . . . . 169 GLU N . 10051 1 327 . 1 1 170 170 ILE H H 1 8.424 0.030 . 1 . . . . 170 ILE H . 10051 1 328 . 1 1 170 170 ILE N N 15 123.220 0.300 . 1 . . . . 170 ILE N . 10051 1 329 . 1 1 171 171 ARG H H 1 8.749 0.030 . 1 . . . . 171 ARG H . 10051 1 330 . 1 1 171 171 ARG N N 15 119.634 0.300 . 1 . . . . 171 ARG N . 10051 1 331 . 1 1 172 172 GLN H H 1 8.060 0.030 . 1 . . . . 172 GLN H . 10051 1 332 . 1 1 172 172 GLN N N 15 116.390 0.300 . 1 . . . . 172 GLN N . 10051 1 333 . 1 1 173 173 HIS H H 1 8.159 0.030 . 1 . . . . 173 HIS H . 10051 1 334 . 1 1 173 173 HIS N N 15 120.375 0.300 . 1 . . . . 173 HIS N . 10051 1 335 . 1 1 174 174 LYS H H 1 8.307 0.030 . 1 . . . . 174 LYS H . 10051 1 336 . 1 1 174 174 LYS N N 15 118.195 0.300 . 1 . . . . 174 LYS N . 10051 1 337 . 1 1 175 175 LEU H H 1 7.541 0.030 . 1 . . . . 175 LEU H . 10051 1 338 . 1 1 175 175 LEU N N 15 118.085 0.300 . 1 . . . . 175 LEU N . 10051 1 339 . 1 1 176 176 ARG H H 1 7.585 0.030 . 1 . . . . 176 ARG H . 10051 1 340 . 1 1 176 176 ARG N N 15 118.357 0.300 . 1 . . . . 176 ARG N . 10051 1 341 . 1 1 177 177 LYS H H 1 7.749 0.030 . 1 . . . . 177 LYS H . 10051 1 342 . 1 1 177 177 LYS N N 15 120.833 0.300 . 1 . . . . 177 LYS N . 10051 1 343 . 1 1 178 178 LEU H H 1 7.677 0.030 . 1 . . . . 178 LEU H . 10051 1 344 . 1 1 178 178 LEU N N 15 128.854 0.300 . 1 . . . . 178 LEU N . 10051 1 stop_ save_