data_18461 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18461 _Entry.Title ; Chemical shift assignments and backbone dynamics of H-Ras-GppNHp bound to Ras-binding domain of cRaf1. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-05-15 _Entry.Accession_date 2012-05-15 _Entry.Last_release_date 2012-06-26 _Entry.Original_release_date 2012-06-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Mitsugu Araki . . . 18461 2 Atsuo Tamura . . . 18461 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18461 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein . 18461 Ras . 18461 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18461 heteronucl_T1_relaxation 1 18461 heteronucl_T2_relaxation 1 18461 heteronucl_NOEs 1 18461 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 162 18461 '13C chemical shifts' 163 18461 '15N chemical shifts' 162 18461 'heteronuclear NOE values' 134 18461 'T1 relaxation values' 134 18461 'T2 relaxation values' 135 18461 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 . . 2012-06-26 2012-05-15 original author . 18461 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LCF 'GppNHp-bound H-RasT35S mutant protein' 18461 BMRB 17610 'GppNHp-bound H-RasT35S mutant protein' 18461 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18461 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21930707 _Citation.Full_citation . _Citation.Title 'Solution structure of the state 1 conformer of GTP-bound H-Ras protein and distinct dynamic properties between the state 1 and state 2 conformers' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 286 _Citation.Journal_issue 45 _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 39644 _Citation.Page_last 39653 _Citation.Year 2011 _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 Mitsugu Araki . . . 18461 1 2 Fumi Shima . . . 18461 1 3 Yoko Yoshikawa . . . 18461 1 4 Shin Muraoka . . . 18461 1 5 Yuichi Ijiri . . . 18461 1 6 Yuka Nagahara . . . 18461 1 7 Tomoya Shirono . . . 18461 1 8 Tohru Kataoka . . . 18461 1 9 Atsuo Tamura . . . 18461 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Ras 18461 1 'Signaling protein' 18461 1 'GTP-bound form' 18461 1 'Conformational states' 18461 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18461 _Assembly.ID 1 _Assembly.Name H-Ras-GppNHp _Assembly.BMRB_code . _Assembly.Number_of_components 5 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 H-Ras-GppNHp 1 $entity_1 A . yes native no no . . . 18461 1 2 'PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER' 2 $entity_GNP B . no native no no . . . 18461 1 3 'MAGNESIUM ION' 3 $entity_MG C . no native no no . . . 18461 1 4 water 4 $entity_HOH D . no native no no . . . 18461 1 5 'Ras-binding domain of cRaf1' 5 $entry_2 E . no native no no . . . 18461 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 18461 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSDMTEYKLVVVGAGGV GKSALTIQLIQNHFVDEYDP TIEDSYRKQVVIDGETCLLD ILDTAGQEEYSAMRDQYMRT GEGFLCVFAINNTKSFEDIH QYREQIKRVKDSDDVPMVLV GNKCDLAARTVESRQAQDLA RSYGIPYIETSAKTRQGVED AFYTLVREIRQH ; _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 172 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18861.303 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The N-terminal sequence GPLGSD is identified as EXPRESSION TAG' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 10051 . RasY32W . . . . . 97.67 178 98.81 99.40 1.06e-117 . . . . 18461 1 2 no BMRB 17183 . Ras . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 3 no BMRB 17610 . "GppNHp-bound H-RasT35S mutant protein" . . . . . 100.00 172 99.42 100.00 5.38e-122 . . . . 18461 1 4 no BMRB 17678 . HRas166 . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 5 no BMRB 18479 . HRas166 . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 6 no BMRB 18629 . entity_1 . . . . . 96.51 166 99.40 100.00 6.69e-117 . . . . 18461 1 7 no BMRB 25730 . H-Ras_G12V . . . . . 98.26 169 98.82 98.82 1.42e-117 . . . . 18461 1 8 no PDB 121P . "Struktur Und Guanosintriphosphat-Hydrolysemechanismus Des C- Terminal Verkuerzten Menschlichen Krebsproteins P21-H-Ras" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 9 no PDB 1AA9 . "Human C-Ha-Ras(1-171)(Dot)gdp, Nmr, Minimized Average Structure" . . . . . 96.51 171 100.00 100.00 1.76e-117 . . . . 18461 1 10 no PDB 1AGP . "Three-Dimensional Structures And Properties Of A Transforming And A Nontransforming Gly-12 Mutant Of P21-H-Ras" . . . . . 96.51 166 99.40 99.40 1.85e-116 . . . . 18461 1 11 no PDB 1BKD . "Complex Of Human H-Ras With Human Sos-1" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 12 no PDB 1CLU . "H-Ras Complexed With Diaminobenzophenone-Beta,Gamma-Imido- Gtp" . . . . . 96.51 166 99.40 99.40 3.27e-116 . . . . 18461 1 13 no PDB 1CRP . "The Solution Structure And Dynamics Of Ras P21. Gdp Determined By Heteronuclear Three And Four Dimensional Nmr Spectroscopy" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 14 no PDB 1CRQ . "The Solution Structure And Dynamics Of Ras P21. Gdp Determined By Heteronuclear Three And Four Dimensional Nmr Spectroscopy" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 15 no PDB 1CRR . "The Solution Structure And Dynamics Of Ras P21. Gdp Determined By Heteronuclear Three And Four Dimensional Nmr Spectroscopy" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 16 no PDB 1CTQ . "Structure Of P21ras In Complex With Gppnhp At 100 K" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 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" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 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" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 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" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 20 no PDB 1HE8 . "Ras G12v-Pi 3-Kinase Gamma Complex" . . . . . 96.51 166 99.40 99.40 2.38e-116 . . . . 18461 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" . . . . . 96.51 166 99.40 100.00 6.69e-117 . . . . 18461 1 22 no PDB 1IOZ . "Crystal Structure Of The C-Ha-Ras Protein Prepared By The Cell-Free Synthesis" . . . . . 96.51 171 100.00 100.00 1.76e-117 . . . . 18461 1 23 no PDB 1JAH . "H-Ras P21 Protein Mutant G12p, Complexed With Guanosine-5'- [beta,Gamma-Methylene] Triphosphate And Magnesium" . . . . . 96.51 166 98.80 98.80 2.34e-115 . . . . 18461 1 24 no PDB 1JAI . "H-Ras P21 Protein Mutant G12p, Complexed With Guanosine-5'- [beta,Gamma-Methylene] Triphosphate And Manganese" . . . . . 96.51 166 99.40 99.40 3.27e-116 . . . . 18461 1 25 no PDB 1K8R . "Crystal Structure Of Ras-Bry2rbd Complex" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 26 no PDB 1LF0 . "Crystal Structure Of Rasa59g In The Gtp-Bound Form" . . . . . 96.51 166 99.40 99.40 1.35e-116 . . . . 18461 1 27 no PDB 1LF5 . "Crystal Structure Of Rasa59g In The Gdp-Bound Form" . . . . . 96.51 166 99.40 99.40 1.35e-116 . . . . 18461 1 28 no PDB 1LFD . "Crystal Structure Of The Active Ras Protein Complexed With The Ras-interacting Domain Of Ralgds" . . . . . 96.51 167 99.40 100.00 6.28e-117 . . . . 18461 1 29 no PDB 1NVU . "Structural Evidence For Feedback Activation By Rasgtp Of The Ras-Specific Nucleotide Exchange Factor Sos" . . . . . 96.51 166 99.40 99.40 1.35e-116 . . . . 18461 1 30 no PDB 1NVV . "Structural Evidence For Feedback Activation By Rasgtp Of The Ras-specific Nucleotide Exchange Factor Sos" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 31 no PDB 1NVW . "Structural Evidence For Feedback Activation By Rasgtp Of The Ras-specific Nucleotide Exchange Factor Sos" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 32 no PDB 1NVX . "Structural Evidence For Feedback Activation By Rasgtp Of The Ras-Specific Nucleotide Exchange Factor Sos" . . . . . 96.51 166 99.40 99.40 1.35e-116 . . . . 18461 1 33 no PDB 1P2S . "H-Ras 166 In 50% 2,2,2 Triflouroethanol" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 34 no PDB 1P2T . "H-Ras 166 In Aqueous Mother Liqour, Rt" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 35 no PDB 1P2U . "H-Ras In 50% Isopropanol" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 36 no PDB 1P2V . "H-Ras 166 In 60 % 1,6 Hexanediol" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 37 no PDB 1PLJ . "Crystallographic Studies On P21h-Ras Using Synchrotron Laue Method: Improvement Of Crystal Quality And Monitoring Of The Gtpase" . . . . . 96.51 166 99.40 99.40 3.27e-116 . . . . 18461 1 38 no PDB 1PLK . "Crystallographic Studies On P21h-Ras Using Synchrotron Laue Method: Improvement Of Crystal Quality And Monitoring Of The Gtpase" . . . . . 96.51 166 98.80 98.80 2.34e-115 . . . . 18461 1 39 no PDB 1PLL . "Crystallographic Studies On P21h-Ras Using Synchrotron Laue Method: Improvement Of Crystal Quality And Monitoring Of The Gtpase" . . . . . 96.51 166 99.40 99.40 3.27e-116 . . . . 18461 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" . . . . . 96.51 171 100.00 100.00 1.76e-117 . . . . 18461 1 41 no PDB 1QRA . "Structure Of P21ras In Complex With Gtp At 100 K" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 42 no PDB 1RVD . "H-Ras Complexed With Diaminobenzophenone-Beta,Gamma-Imido- Gtp" . . . . . 96.51 166 99.40 99.40 2.38e-116 . . . . 18461 1 43 no PDB 1WQ1 . "Ras-Rasgap Complex" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 44 no PDB 1XCM . "Crystal Structure Of The Gppnhp-Bound H-Ras G60a Mutant" . . . . . 96.51 167 98.80 98.80 2.42e-115 . . . . 18461 1 45 no PDB 1XD2 . "Crystal Structure Of A Ternary Ras:sos:ras*gdp Complex" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 46 no PDB 1XJ0 . "Crystal Structure Of The Gdp-Bound Form Of The Rasg60a Mutant" . . . . . 96.51 166 98.80 98.80 2.14e-115 . . . . 18461 1 47 no PDB 1ZVQ . "Structure Of The Q61g Mutant Of Ras In The Gdp-Bound Form" . . . . . 96.51 166 99.40 99.40 3.85e-116 . . . . 18461 1 48 no PDB 1ZW6 . "Crystal Structure Of The Gtp-Bound Form Of Rasq61g" . . . . . 96.51 166 98.80 98.80 8.96e-115 . . . . 18461 1 49 no PDB 221P . "Three-Dimensional Structures Of H-Ras P21 Mutants: Molecular Basis For Their Inability To Function As Signal Switch Molecules" . . . . . 96.51 166 99.40 100.00 8.06e-117 . . . . 18461 1 50 no PDB 2C5L . "Structure Of Plc Epsilon Ras Association Domain With Hras" . . . . . 100.00 173 97.09 97.09 6.20e-117 . . . . 18461 1 51 no PDB 2CE2 . "Crystal Structure Analysis Of A Fluorescent Form Of H-ras P21 In Complex With Gdp" . . . . . 96.51 166 98.80 98.80 1.18e-114 . . . . 18461 1 52 no PDB 2CL0 . "Crystal Structure Analysis Of A Fluorescent Form Of H-Ras P21 In Complex With Gppnhp" . . . . . 96.51 166 98.80 98.80 1.18e-114 . . . . 18461 1 53 no PDB 2CL6 . "Crystal Structure Analysis Of A Fluorescent Form Of H-ras P21 In Complex With S-caged Gtp" . . . . . 96.51 166 98.80 98.80 1.18e-114 . . . . 18461 1 54 no PDB 2CL7 . "Crystal Structure Analysis Of A Fluorescent Form Of H-ras P21 In Complex With Gtp" . . . . . 96.51 166 98.80 98.80 1.18e-114 . . . . 18461 1 55 no PDB 2CLC . "Crystal Structure Analysis Of A Fluorescent Form Of H-ras P21 In Complex With Gtp (2)" . . . . . 96.51 166 98.80 98.80 1.18e-114 . . . . 18461 1 56 no PDB 2CLD . "Crystal Structure Analysis Of A Fluorescent Form Of H-ras P21 In Complex With Gdp (2)" . . . . . 96.51 166 99.40 99.40 2.13e-116 . . . . 18461 1 57 no PDB 2EVW . "Crystal Structure Analysis Of A Fluorescent Form Of H-Ras P21 In Complex With R-Caged Gtp" . . . . . 96.51 166 98.80 98.80 1.18e-114 . . . . 18461 1 58 no PDB 2LCF . "Solution Structure Of Gppnhp-Bound H-Rast35s Mutant Protein" . . . . . 100.00 172 99.42 100.00 5.38e-122 . . . . 18461 1 59 no PDB 2LWI . "Solution Structure Of H-rast35s Mutant Protein In Complex With Kobe2601" . . . . . 100.00 172 99.42 100.00 5.38e-122 . . . . 18461 1 60 no PDB 2N42 . "Ec-nmr Structure Of Human H-rast35s Mutant Protein Determined By Combining Evolutionary Couplings (ec) And Sparse Nmr Data" . . . . . 100.00 172 99.42 100.00 5.38e-122 . . . . 18461 1 61 no PDB 2N46 . "Ec-nmr Structure Of Human H-rast35s Mutant Protein Determined By Combining Evolutionary Couplings (ec) And Sparse Nmr Data" . . . . . 100.00 172 99.42 100.00 5.38e-122 . . . . 18461 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" . . . . . 96.51 171 99.40 99.40 1.89e-116 . . . . 18461 1 63 no PDB 2QUZ . "Crystal Structure Of The Activating H-Rask117r Mutant In Costello Syndrome, Bound To Mg-Gdp" . . . . . 96.51 166 99.40 100.00 5.56e-117 . . . . 18461 1 64 no PDB 2RGA . "Crystal Structure Of H-Rasq61i-Gppnhp" . . . . . 96.51 166 99.40 99.40 2.74e-116 . . . . 18461 1 65 no PDB 2RGB . "Crystal Structure Of H-Rasq61k-Gppnhp" . . . . . 96.51 166 99.40 100.00 5.21e-117 . . . . 18461 1 66 no PDB 2RGC . "Crystal Structure Of H-Rasq61v-Gppnhp" . . . . . 96.51 166 99.40 99.40 2.46e-116 . . . . 18461 1 67 no PDB 2RGD . "Crystal Structure Of H-Rasq61l-Gppnhp" . . . . . 96.51 166 99.40 99.40 1.73e-116 . . . . 18461 1 68 no PDB 2RGE . "Crystal Structure Of H-Ras-Gppnhp" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 69 no PDB 2RGG . "Crystal Structure Of H-Rasq61i-Gppnhp, Trigonal Crystal Form" . . . . . 96.51 166 99.40 99.40 2.74e-116 . . . . 18461 1 70 no PDB 2UZI . "Crystal Structure Of Hras(G12v) - Anti-Ras Fv Complex" . . . . . 96.51 166 99.40 99.40 2.38e-116 . . . . 18461 1 71 no PDB 2VH5 . "Crystal Structure Of Hras(G12v) - Anti-Ras Fv (Disulfide Free Mutant) Complex" . . . . . 96.51 166 99.40 99.40 2.38e-116 . . . . 18461 1 72 no PDB 2X1V . "Crystal Structure Of The Activating H-Ras I163f Mutant In Costello Syndrome, Bound To Mg-Gdp" . . . . . 96.51 166 99.40 99.40 1.03e-116 . . . . 18461 1 73 no PDB 3DDC . "Crystal Structure Of Nore1a In Complex With Ras" . . . . . 96.51 166 98.80 100.00 2.30e-116 . . . . 18461 1 74 no PDB 3I3S . "Crystal Structure Of H-Ras With Thr50 Replaced By Isoleucine" . . . . . 96.51 166 99.40 99.40 1.50e-116 . . . . 18461 1 75 no PDB 3K8Y . "Allosteric Modulation Of H-Ras Gtpase" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 76 no PDB 3K9L . "Allosteric Modulation Of H-Ras Gtpase" . . . . . 96.51 166 99.40 100.00 4.23e-117 . . . . 18461 1 77 no PDB 3K9N . "Allosteric Modulation Of H-Ras Gtpase" . . . . . 96.51 166 99.40 100.00 4.23e-117 . . . . 18461 1 78 no PDB 3KKM . "Crystal Structure Of H-ras T35s In Complex With Gppnhp" . . . . . 100.00 172 99.42 100.00 5.38e-122 . . . . 18461 1 79 no PDB 3KKN . "Crystal Structure Of H-ras T35s In Complex With Gppnhp" . . . . . 100.00 172 99.42 100.00 5.38e-122 . . . . 18461 1 80 no PDB 3KUD . "Complex Of Ras-Gdp With Rafrbd(A85k)" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 81 no PDB 3L8Y . "Complex Of Ras With Cyclen" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 82 no PDB 3L8Z . "H-Ras Wildtype New Crystal Form" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 83 no PDB 3LBH . "Ras Soaked In Calcium Acetate" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 84 no PDB 3LBI . "Ras Soaked In Magnesium Acetate And Back Soaked In Calcium A" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 85 no PDB 3LBN . "Ras Soaked In Magnesium Acetate" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 86 no PDB 3LO5 . "Crystal Structure Of The Dominant Negative S17n Mutant Of Ras" . . . . . 96.51 166 99.40 100.00 6.13e-117 . . . . 18461 1 87 no PDB 3OIU . 'H-Rasq61l With Allosteric Switch In The "on" State' . . . . . 96.51 166 99.40 99.40 1.73e-116 . . . . 18461 1 88 no PDB 3OIV . 'H-Rasg12v With Allosteric Switch In The "off" State' . . . . . 96.51 166 99.40 99.40 2.38e-116 . . . . 18461 1 89 no PDB 3OIW . 'H-Rasg12v With Allosteric Switch In The "on" State' . . . . . 96.51 166 99.40 99.40 2.38e-116 . . . . 18461 1 90 no PDB 3RRY . "H-Ras Crosslinked Control, Soaked In Aqueous Solution: One Of 10 In Mscs Set" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 91 no PDB 3RRZ . "H-Ras In 70% Glycerol: One Of 10 In Mscs Set" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 92 no PDB 3RS0 . "H-Ras Soaked In Neat Cyclopentanol: One Of 10 In Mscs Set" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 93 no PDB 3RS2 . "H-Ras Soaked In 50% 2,2,2-Trifluoroethanol: One Of 10 In Mscs Set" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 94 no PDB 3RS3 . "H-Ras Soaked In Neat Hexane: 1 Of 10 In Mscs Set" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 95 no PDB 3RS4 . "H-Ras Soaked In 60% 1,6-Hexanediol: 1 Of 10 In Mscs Set" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 96 no PDB 3RS5 . "H-Ras Soaked In 55% Dimethylformamide: 1 Of 10 In Mscs Set" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 97 no PDB 3RS7 . "H-Ras Soaked In 50% Isopropanol: 1 Of 10 In Mscs Set" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 98 no PDB 3RSL . "H-Ras Soaked In 90% R,S,R-Bisfuranol: One Of 10 In Mscs Set" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 99 no PDB 3RSO . "H-Ras Soaked In 20% S,R,S-Bisfuranol: 1 Of 10 In Mscs Set" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 100 no PDB 3TGP . "Room Temperature H-Ras" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 101 no PDB 3V4F . "H-Ras Peg 400CACL2, ORDERED OFF" . . . . . 96.51 166 99.40 100.00 7.15e-117 . . . . 18461 1 102 no PDB 421P . "Three-Dimensional Structures Of H-Ras P21 Mutants: Molecular Basis For Their Inability To Function As Signal Switch Molecules" . . . . . 96.51 166 99.40 99.40 2.40e-116 . . . . 18461 1 103 no PDB 4DLR . "H-Ras Peg 400CA(OAC)2, ORDERED OFF" . . . . . 96.51 166 99.40 100.00 7.15e-117 . . . . 18461 1 104 no PDB 4DLS . "H-Ras Set 1 Cacl2 'mixed'" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 105 no PDB 4DLT . "H-Ras Set 2 Ca(Oac)2, On" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 106 no PDB 4DLU . "H-Ras Set 1 Ca(Oac)2, On" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 107 no PDB 4DLV . "H-Ras Set 2 Cacl2DTT, ORDERED OFF" . . . . . 96.51 166 99.40 100.00 7.15e-117 . . . . 18461 1 108 no PDB 4DLW . "H-Ras Set 2 Ca(Oac)2DTT, ON" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 109 no PDB 4DLX . "H-Ras Set 1 Cacl2DTE, ORDERED OFF" . . . . . 96.51 166 99.40 100.00 7.15e-117 . . . . 18461 1 110 no PDB 4DLY . "Set 1 Cacl2DTT, ORDERED OFF" . . . . . 96.51 166 99.40 100.00 7.15e-117 . . . . 18461 1 111 no PDB 4DLZ . "H-Ras Set 2 Ca(Oac)2DTE, ORDERED OFF" . . . . . 96.51 166 99.40 100.00 7.15e-117 . . . . 18461 1 112 no PDB 4EFL . "Crystal Structure Of H-ras Wt In Complex With Gppnhp (state 1)" . . . . . 100.00 171 99.42 99.42 8.39e-120 . . . . 18461 1 113 no PDB 4EFM . "Crystal Structure Of H-ras G12v In Complex With Gppnhp (state 1)" . . . . . 100.00 171 98.84 98.84 1.28e-118 . . . . 18461 1 114 no PDB 4EFN . "Crystal Structure Of H-ras Q61l In Complex With Gppnhp (state 1)" . . . . . 100.00 171 98.84 98.84 8.80e-119 . . . . 18461 1 115 no PDB 4G0N . "Crystal Structure Of Wt H-ras-gppnhp Bound To The Rbd Of Raf Kinase" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 116 no PDB 4G3X . "Crystal Structure Of Q61l H-ras-gppnhp Bound To The Rbd Of Raf Kinase" . . . . . 96.51 166 99.40 99.40 1.73e-116 . . . . 18461 1 117 no PDB 4K81 . "Crystal Structure Of The Grb14 Ra And Ph Domains In Complex With Gtp- Loaded H-ras" . . . . . 100.00 171 97.67 98.26 3.43e-117 . . . . 18461 1 118 no PDB 4L9S . "Crystal Structure Of H-ras G12c, Gdp-bound" . . . . . 100.00 171 97.67 98.26 4.04e-117 . . . . 18461 1 119 no PDB 4L9W . "Crystal Structure Of H-ras G12c, Gmppnp-bound" . . . . . 100.00 171 97.67 98.26 4.04e-117 . . . . 18461 1 120 no PDB 4NYI . "Approach For Targeting Ras With Small Molecules That Activate Sos- Mediated Nucleotide Exchange" . . . . . 96.51 167 100.00 100.00 2.10e-117 . . . . 18461 1 121 no PDB 4NYJ . "Approach For Targeting Ras With Small Molecules That Activate Sos- Mediated Nucleotide Exchange" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 122 no PDB 4NYM . "Approach For Targeting Ras With Small Molecules That Activate Sos- Mediated Nucleotide Exchange" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 123 no PDB 4Q21 . "Molecular Switch For Signal Transduction: Structural Differences Between Active And Inactive Forms Of Protooncogenic Ras Protei" . . . . . 96.51 189 100.00 100.00 8.75e-117 . . . . 18461 1 124 no PDB 4RSG . "Neutron Crystal Structure Of Ras Bound To The Gtp Analogue Gppnhp" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 125 no PDB 4URU . "The Crystal Structure Of H-ras And Sos In Complex With Ligands" . . . . . 98.26 185 99.41 99.41 1.46e-118 . . . . 18461 1 126 no PDB 4URV . "The Crystal Structure Of H-ras And Sos In Complex With Ligands" . . . . . 98.26 185 99.41 99.41 1.46e-118 . . . . 18461 1 127 no PDB 4URW . "The Crystal Structure Of H-ras And Sos In Complex With Ligands" . . . . . 98.26 185 99.41 99.41 1.46e-118 . . . . 18461 1 128 no PDB 4URX . "The Crystal Structure Of H-ras And Sos In Complex With Ligands" . . . . . 98.26 185 99.41 99.41 1.46e-118 . . . . 18461 1 129 no PDB 4URY . "The Crystal Structure Of H-ras And Sos In Complex With Ligands" . . . . . 98.26 185 99.41 99.41 1.46e-118 . . . . 18461 1 130 no PDB 4URZ . "The Crystal Structure Of H-ras And Sos In Complex With Ligands" . . . . . 98.26 185 99.41 99.41 1.46e-118 . . . . 18461 1 131 no PDB 4US0 . "The Crystal Structure Of H-ras And Sos In Complex With Ligands" . . . . . 98.26 185 99.41 99.41 1.46e-118 . . . . 18461 1 132 no PDB 4US1 . "The Crystal Structure Of H-ras And Sos In Complex With Ligands" . . . . . 98.26 185 99.41 99.41 1.46e-118 . . . . 18461 1 133 no PDB 4US2 . "The Crystal Structure Of H-ras And Sos In Complex With Ligands" . . . . . 98.26 185 99.41 99.41 1.46e-118 . . . . 18461 1 134 no PDB 4XVQ . "H-ras Y137e" . . . . . 96.51 166 99.40 99.40 4.29e-116 . . . . 18461 1 135 no PDB 4XVR . "H-ras Y137f" . . . . . 96.51 166 99.40 100.00 4.23e-117 . . . . 18461 1 136 no PDB 521P . "Three-Dimensional Structures Of H-Ras P21 Mutants: Molecular Basis For Their Inability To Function As Signal Switch Molecules" . . . . . 96.51 166 98.80 98.80 1.25e-115 . . . . 18461 1 137 no PDB 5P21 . "Refined Crystal Structure Of The Triphosphate Conformation Of H-Ras P21 At 1.35 Angstroms Resolution: Implications For The Mech" . . . . . 96.51 166 100.00 100.00 1.95e-117 . . . . 18461 1 138 no PDB 621P . "Three-Dimensional Structures Of H-Ras P21 Mutants: Molecular Basis For Their Inability To Function As Signal Switch Molecules" . . . . . 96.51 166 99.40 99.40 1.12e-116 . . . . 18461 1 139 no PDB 6Q21 . "Molecular Switch For Signal Transduction: Structural Differences Between Active And Inactive Forms Of Protooncogenic Ras Protei" . . . . . 96.51 171 100.00 100.00 1.76e-117 . . . . 18461 1 140 no PDB 721P . "Three-Dimensional Structures Of H-Ras P21 Mutants: Molecular Basis For Their Inability To Function As Signal Switch Molecules" . . . . . 96.51 166 99.40 99.40 1.73e-116 . . . . 18461 1 141 no PDB 821P . "Three-Dimensional Structures And Properties Of A Transforming And A Nontransforming Glycine-12 Mutant Of P21h-Ras" . . . . . 96.51 166 99.40 99.40 3.27e-116 . . . . 18461 1 142 no DBJ BAB61869 . "Rai-chu 101 [synthetic construct]" . . . . . 97.09 740 99.40 100.00 2.07e-110 . . . . 18461 1 143 no DBJ BAB61870 . "Rai-chu 101X [synthetic construct]" . . . . . 97.09 764 99.40 100.00 2.43e-110 . . . . 18461 1 144 no DBJ BAB88314 . "c-Ha-ras p21 protein [synthetic construct]" . . . . . 96.51 189 100.00 100.00 8.75e-117 . . . . 18461 1 145 no DBJ BAB88315 . "c-Ha-ras p21 protein [synthetic construct]" . . . . . 96.51 189 100.00 100.00 8.75e-117 . . . . 18461 1 146 no DBJ BAB88316 . "c-Ha-ras p21 protein [synthetic construct]" . . . . . 96.51 189 100.00 100.00 8.75e-117 . . . . 18461 1 147 no EMBL CAA25322 . "transforming protein p21 [Moloney murine sarcoma virus]" . . . . . 96.51 189 98.80 98.80 7.39e-115 . . . . 18461 1 148 no EMBL CAA25624 . "p21 protein [Homo sapiens]" . . . . . 65.12 112 99.11 99.11 5.16e-74 . . . . 18461 1 149 no EMBL CAA27258 . "unnamed protein product [Gallus gallus]" . . . . . 96.51 189 98.80 99.40 1.44e-115 . . . . 18461 1 150 no EMBL CAA35240 . "p21 ras [Bos taurus]" . . . . . 55.81 96 97.92 98.96 4.34e-61 . . . . 18461 1 151 no EMBL CAA90306 . "C-H-Ras [Mus musculus]" . . . . . 96.51 189 99.40 99.40 7.70e-116 . . . . 18461 1 152 no GB AAA36554 . "c-Ki-ras p21 protein, partial [Homo sapiens]" . . . . . 55.81 96 97.92 97.92 2.34e-61 . . . . 18461 1 153 no GB AAA42009 . "c-ras-H-1 protein [Rattus norvegicus]" . . . . . 96.51 189 100.00 100.00 6.04e-117 . . . . 18461 1 154 no GB AAA46568 . "transforming protein p21 has [Harvey murine sarcoma virus]" . . . . . 96.51 241 98.19 98.19 6.45e-115 . . . . 18461 1 155 no GB AAA46569 . "protein p30 [Harvey murine sarcoma virus]" . . . . . 96.51 241 98.19 98.19 6.45e-115 . . . . 18461 1 156 no GB AAA46570 . "p21 v-has transforming protein [Harvey murine sarcoma virus]" . . . . . 96.51 189 98.19 98.19 4.34e-114 . . . . 18461 1 157 no PIR A43816 . "transforming protein ras - rabbit" . . . . . 96.51 189 99.40 100.00 9.24e-117 . . . . 18461 1 158 no PIR TVMVNS . "transforming protein ras - NS.C58 murine sarcoma virus" . . . . . 96.51 189 99.40 99.40 1.22e-115 . . . . 18461 1 159 no PRF 0904302A . protein,c-Ha-ras-1 . . . . . 96.51 189 99.40 99.40 1.65e-115 . . . . 18461 1 160 no PRF 1604384A . "ras oncogene" . . . . . 96.51 189 97.59 97.59 2.01e-111 . . . . 18461 1 161 no REF NP_001017003 . "GTPase HRas [Xenopus (Silurana) tropicalis]" . . . . . 96.51 189 98.80 99.40 1.13e-115 . . . . 18461 1 162 no REF NP_001018465 . "-Ha-ras Harvey rat sarcoma viral oncogene homolog b [Danio rerio]" . . . . . 96.51 189 97.59 99.40 3.85e-114 . . . . 18461 1 163 no REF NP_001084278 . "Harvey rat sarcoma viral oncogene homolog [Xenopus laevis]" . . . . . 96.51 189 98.80 99.40 1.13e-115 . . . . 18461 1 164 no REF NP_001091711 . "GTPase HRas precursor [Rattus norvegicus]" . . . . . 96.51 189 100.00 100.00 8.75e-117 . . . . 18461 1 165 no REF NP_001123913 . "GTPase HRas precursor [Rattus norvegicus]" . . . . . 96.51 189 100.00 100.00 8.75e-117 . . . . 18461 1 166 no SP P01112 . "RecName: Full=GTPase HRas; AltName: Full=H-Ras-1; AltName: Full=Ha-Ras; AltName: Full=Transforming protein p21; AltName: Full=c" . . . . . 96.51 189 100.00 100.00 8.75e-117 . . . . 18461 1 167 no SP P01113 . "RecName: Full=GTPase HRas; AltName: Full=Transforming protein p21/H-Ras; Flags: Precursor" . . . . . 96.51 189 98.80 99.40 2.45e-115 . . . . 18461 1 168 no SP P01114 . "RecName: Full=Transforming protein p29; Contains: RecName: Full=Transforming protein p21; Flags: Precursor" . . . . . 96.51 248 98.19 98.19 1.70e-113 . . . . 18461 1 169 no SP P01115 . "RecName: Full=Transforming protein p29; Contains: RecName: Full=Transforming protein p21; Flags: Precursor" . . . . . 96.51 241 98.19 98.19 6.45e-115 . . . . 18461 1 170 no SP P08642 . "RecName: Full=GTPase HRas; AltName: Full=H-Ras-1; AltName: Full=Transforming protein p21; AltName: Full=c-H-ras; AltName: Full=" . . . . . 96.51 189 98.80 99.40 1.44e-115 . . . . 18461 1 171 no TPG DAA13500 . "TPA: v-Ha-ras Harvey rat sarcoma viral oncogene homolog [Bos taurus]" . . . . . 96.51 189 98.80 99.40 5.69e-115 . . . . 18461 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 -5 GLY . 18461 1 2 -4 PRO . 18461 1 3 -3 LEU . 18461 1 4 -2 GLY . 18461 1 5 -1 SER . 18461 1 6 0 ASP . 18461 1 7 1 MET . 18461 1 8 2 THR . 18461 1 9 3 GLU . 18461 1 10 4 TYR . 18461 1 11 5 LYS . 18461 1 12 6 LEU . 18461 1 13 7 VAL . 18461 1 14 8 VAL . 18461 1 15 9 VAL . 18461 1 16 10 GLY . 18461 1 17 11 ALA . 18461 1 18 12 GLY . 18461 1 19 13 GLY . 18461 1 20 14 VAL . 18461 1 21 15 GLY . 18461 1 22 16 LYS . 18461 1 23 17 SER . 18461 1 24 18 ALA . 18461 1 25 19 LEU . 18461 1 26 20 THR . 18461 1 27 21 ILE . 18461 1 28 22 GLN . 18461 1 29 23 LEU . 18461 1 30 24 ILE . 18461 1 31 25 GLN . 18461 1 32 26 ASN . 18461 1 33 27 HIS . 18461 1 34 28 PHE . 18461 1 35 29 VAL . 18461 1 36 30 ASP . 18461 1 37 31 GLU . 18461 1 38 32 TYR . 18461 1 39 33 ASP . 18461 1 40 34 PRO . 18461 1 41 35 THR . 18461 1 42 36 ILE . 18461 1 43 37 GLU . 18461 1 44 38 ASP . 18461 1 45 39 SER . 18461 1 46 40 TYR . 18461 1 47 41 ARG . 18461 1 48 42 LYS . 18461 1 49 43 GLN . 18461 1 50 44 VAL . 18461 1 51 45 VAL . 18461 1 52 46 ILE . 18461 1 53 47 ASP . 18461 1 54 48 GLY . 18461 1 55 49 GLU . 18461 1 56 50 THR . 18461 1 57 51 CYS . 18461 1 58 52 LEU . 18461 1 59 53 LEU . 18461 1 60 54 ASP . 18461 1 61 55 ILE . 18461 1 62 56 LEU . 18461 1 63 57 ASP . 18461 1 64 58 THR . 18461 1 65 59 ALA . 18461 1 66 60 GLY . 18461 1 67 61 GLN . 18461 1 68 62 GLU . 18461 1 69 63 GLU . 18461 1 70 64 TYR . 18461 1 71 65 SER . 18461 1 72 66 ALA . 18461 1 73 67 MET . 18461 1 74 68 ARG . 18461 1 75 69 ASP . 18461 1 76 70 GLN . 18461 1 77 71 TYR . 18461 1 78 72 MET . 18461 1 79 73 ARG . 18461 1 80 74 THR . 18461 1 81 75 GLY . 18461 1 82 76 GLU . 18461 1 83 77 GLY . 18461 1 84 78 PHE . 18461 1 85 79 LEU . 18461 1 86 80 CYS . 18461 1 87 81 VAL . 18461 1 88 82 PHE . 18461 1 89 83 ALA . 18461 1 90 84 ILE . 18461 1 91 85 ASN . 18461 1 92 86 ASN . 18461 1 93 87 THR . 18461 1 94 88 LYS . 18461 1 95 89 SER . 18461 1 96 90 PHE . 18461 1 97 91 GLU . 18461 1 98 92 ASP . 18461 1 99 93 ILE . 18461 1 100 94 HIS . 18461 1 101 95 GLN . 18461 1 102 96 TYR . 18461 1 103 97 ARG . 18461 1 104 98 GLU . 18461 1 105 99 GLN . 18461 1 106 100 ILE . 18461 1 107 101 LYS . 18461 1 108 102 ARG . 18461 1 109 103 VAL . 18461 1 110 104 LYS . 18461 1 111 105 ASP . 18461 1 112 106 SER . 18461 1 113 107 ASP . 18461 1 114 108 ASP . 18461 1 115 109 VAL . 18461 1 116 110 PRO . 18461 1 117 111 MET . 18461 1 118 112 VAL . 18461 1 119 113 LEU . 18461 1 120 114 VAL . 18461 1 121 115 GLY . 18461 1 122 116 ASN . 18461 1 123 117 LYS . 18461 1 124 118 CYS . 18461 1 125 119 ASP . 18461 1 126 120 LEU . 18461 1 127 121 ALA . 18461 1 128 122 ALA . 18461 1 129 123 ARG . 18461 1 130 124 THR . 18461 1 131 125 VAL . 18461 1 132 126 GLU . 18461 1 133 127 SER . 18461 1 134 128 ARG . 18461 1 135 129 GLN . 18461 1 136 130 ALA . 18461 1 137 131 GLN . 18461 1 138 132 ASP . 18461 1 139 133 LEU . 18461 1 140 134 ALA . 18461 1 141 135 ARG . 18461 1 142 136 SER . 18461 1 143 137 TYR . 18461 1 144 138 GLY . 18461 1 145 139 ILE . 18461 1 146 140 PRO . 18461 1 147 141 TYR . 18461 1 148 142 ILE . 18461 1 149 143 GLU . 18461 1 150 144 THR . 18461 1 151 145 SER . 18461 1 152 146 ALA . 18461 1 153 147 LYS . 18461 1 154 148 THR . 18461 1 155 149 ARG . 18461 1 156 150 GLN . 18461 1 157 151 GLY . 18461 1 158 152 VAL . 18461 1 159 153 GLU . 18461 1 160 154 ASP . 18461 1 161 155 ALA . 18461 1 162 156 PHE . 18461 1 163 157 TYR . 18461 1 164 158 THR . 18461 1 165 159 LEU . 18461 1 166 160 VAL . 18461 1 167 161 ARG . 18461 1 168 162 GLU . 18461 1 169 163 ILE . 18461 1 170 164 ARG . 18461 1 171 165 GLN . 18461 1 172 166 HIS . 18461 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 18461 1 . PRO 2 2 18461 1 . LEU 3 3 18461 1 . GLY 4 4 18461 1 . SER 5 5 18461 1 . ASP 6 6 18461 1 . MET 7 7 18461 1 . THR 8 8 18461 1 . GLU 9 9 18461 1 . TYR 10 10 18461 1 . LYS 11 11 18461 1 . LEU 12 12 18461 1 . VAL 13 13 18461 1 . VAL 14 14 18461 1 . VAL 15 15 18461 1 . GLY 16 16 18461 1 . ALA 17 17 18461 1 . GLY 18 18 18461 1 . GLY 19 19 18461 1 . VAL 20 20 18461 1 . GLY 21 21 18461 1 . LYS 22 22 18461 1 . SER 23 23 18461 1 . ALA 24 24 18461 1 . LEU 25 25 18461 1 . THR 26 26 18461 1 . ILE 27 27 18461 1 . GLN 28 28 18461 1 . LEU 29 29 18461 1 . ILE 30 30 18461 1 . GLN 31 31 18461 1 . ASN 32 32 18461 1 . HIS 33 33 18461 1 . PHE 34 34 18461 1 . VAL 35 35 18461 1 . ASP 36 36 18461 1 . GLU 37 37 18461 1 . TYR 38 38 18461 1 . ASP 39 39 18461 1 . PRO 40 40 18461 1 . THR 41 41 18461 1 . ILE 42 42 18461 1 . GLU 43 43 18461 1 . ASP 44 44 18461 1 . SER 45 45 18461 1 . TYR 46 46 18461 1 . ARG 47 47 18461 1 . LYS 48 48 18461 1 . GLN 49 49 18461 1 . VAL 50 50 18461 1 . VAL 51 51 18461 1 . ILE 52 52 18461 1 . ASP 53 53 18461 1 . GLY 54 54 18461 1 . GLU 55 55 18461 1 . THR 56 56 18461 1 . CYS 57 57 18461 1 . LEU 58 58 18461 1 . LEU 59 59 18461 1 . ASP 60 60 18461 1 . ILE 61 61 18461 1 . LEU 62 62 18461 1 . ASP 63 63 18461 1 . THR 64 64 18461 1 . ALA 65 65 18461 1 . GLY 66 66 18461 1 . GLN 67 67 18461 1 . GLU 68 68 18461 1 . GLU 69 69 18461 1 . TYR 70 70 18461 1 . SER 71 71 18461 1 . ALA 72 72 18461 1 . MET 73 73 18461 1 . ARG 74 74 18461 1 . ASP 75 75 18461 1 . GLN 76 76 18461 1 . TYR 77 77 18461 1 . MET 78 78 18461 1 . ARG 79 79 18461 1 . THR 80 80 18461 1 . GLY 81 81 18461 1 . GLU 82 82 18461 1 . GLY 83 83 18461 1 . PHE 84 84 18461 1 . LEU 85 85 18461 1 . CYS 86 86 18461 1 . VAL 87 87 18461 1 . PHE 88 88 18461 1 . ALA 89 89 18461 1 . ILE 90 90 18461 1 . ASN 91 91 18461 1 . ASN 92 92 18461 1 . THR 93 93 18461 1 . LYS 94 94 18461 1 . SER 95 95 18461 1 . PHE 96 96 18461 1 . GLU 97 97 18461 1 . ASP 98 98 18461 1 . ILE 99 99 18461 1 . HIS 100 100 18461 1 . GLN 101 101 18461 1 . TYR 102 102 18461 1 . ARG 103 103 18461 1 . GLU 104 104 18461 1 . GLN 105 105 18461 1 . ILE 106 106 18461 1 . LYS 107 107 18461 1 . ARG 108 108 18461 1 . VAL 109 109 18461 1 . LYS 110 110 18461 1 . ASP 111 111 18461 1 . SER 112 112 18461 1 . ASP 113 113 18461 1 . ASP 114 114 18461 1 . VAL 115 115 18461 1 . PRO 116 116 18461 1 . MET 117 117 18461 1 . VAL 118 118 18461 1 . LEU 119 119 18461 1 . VAL 120 120 18461 1 . GLY 121 121 18461 1 . ASN 122 122 18461 1 . LYS 123 123 18461 1 . CYS 124 124 18461 1 . ASP 125 125 18461 1 . LEU 126 126 18461 1 . ALA 127 127 18461 1 . ALA 128 128 18461 1 . ARG 129 129 18461 1 . THR 130 130 18461 1 . VAL 131 131 18461 1 . GLU 132 132 18461 1 . SER 133 133 18461 1 . ARG 134 134 18461 1 . GLN 135 135 18461 1 . ALA 136 136 18461 1 . GLN 137 137 18461 1 . ASP 138 138 18461 1 . LEU 139 139 18461 1 . ALA 140 140 18461 1 . ARG 141 141 18461 1 . SER 142 142 18461 1 . TYR 143 143 18461 1 . GLY 144 144 18461 1 . ILE 145 145 18461 1 . PRO 146 146 18461 1 . TYR 147 147 18461 1 . ILE 148 148 18461 1 . GLU 149 149 18461 1 . THR 150 150 18461 1 . SER 151 151 18461 1 . ALA 152 152 18461 1 . LYS 153 153 18461 1 . THR 154 154 18461 1 . ARG 155 155 18461 1 . GLN 156 156 18461 1 . GLY 157 157 18461 1 . VAL 158 158 18461 1 . GLU 159 159 18461 1 . ASP 160 160 18461 1 . ALA 161 161 18461 1 . PHE 162 162 18461 1 . TYR 163 163 18461 1 . THR 164 164 18461 1 . LEU 165 165 18461 1 . VAL 166 166 18461 1 . ARG 167 167 18461 1 . GLU 168 168 18461 1 . ILE 169 169 18461 1 . ARG 170 170 18461 1 . GLN 171 171 18461 1 . HIS 172 172 18461 1 stop_ save_ save_entity_GNP _Entity.Sf_category entity _Entity.Sf_framecode entity_GNP _Entity.Entry_ID 18461 _Entity.ID 2 _Entity.BMRB_code GNP _Entity.Name entity_GNP _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID GNP _Entity.Nonpolymer_comp_label $chem_comp_GNP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 522.196 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER' BMRB 18461 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER' BMRB 18461 2 GNP 'Three letter code' 18461 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 GNP $chem_comp_GNP 18461 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 GNP C1' 18461 2 2 1 GNP C2 18461 2 3 1 GNP C2' 18461 2 4 1 GNP C3' 18461 2 5 1 GNP C4 18461 2 6 1 GNP C4' 18461 2 7 1 GNP C5 18461 2 8 1 GNP C5' 18461 2 9 1 GNP C6 18461 2 10 1 GNP C8 18461 2 11 1 GNP H1' 18461 2 12 1 GNP H2' 18461 2 13 1 GNP H3' 18461 2 14 1 GNP H4' 18461 2 15 1 GNP H5'1 18461 2 16 1 GNP H5'2 18461 2 17 1 GNP H8 18461 2 18 1 GNP HN1 18461 2 19 1 GNP HN21 18461 2 20 1 GNP HN22 18461 2 21 1 GNP HNB3 18461 2 22 1 GNP HO2' 18461 2 23 1 GNP HO3' 18461 2 24 1 GNP HOA2 18461 2 25 1 GNP HOB2 18461 2 26 1 GNP HOG2 18461 2 27 1 GNP HOG3 18461 2 28 1 GNP N1 18461 2 29 1 GNP N2 18461 2 30 1 GNP N3 18461 2 31 1 GNP N3B 18461 2 32 1 GNP N7 18461 2 33 1 GNP N9 18461 2 34 1 GNP O1A 18461 2 35 1 GNP O1B 18461 2 36 1 GNP O1G 18461 2 37 1 GNP O2' 18461 2 38 1 GNP O2A 18461 2 39 1 GNP O2B 18461 2 40 1 GNP O2G 18461 2 41 1 GNP O3' 18461 2 42 1 GNP O3A 18461 2 43 1 GNP O3G 18461 2 44 1 GNP O4' 18461 2 45 1 GNP O5' 18461 2 46 1 GNP O6 18461 2 47 1 GNP PA 18461 2 48 1 GNP PB 18461 2 49 1 GNP PG 18461 2 stop_ save_ save_entity_MG _Entity.Sf_category entity _Entity.Sf_framecode entity_MG _Entity.Entry_ID 18461 _Entity.ID 3 _Entity.BMRB_code MG _Entity.Name entity_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 . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID MG _Entity.Nonpolymer_comp_label $chem_comp_MG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _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 24.305 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'MAGNESIUM ION' BMRB 18461 3 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'MAGNESIUM ION' BMRB 18461 3 MG 'Three letter code' 18461 3 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MG $chem_comp_MG 18461 3 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 MG MG 18461 3 stop_ save_ save_entity_HOH _Entity.Sf_category entity _Entity.Sf_framecode entity_HOH _Entity.Entry_ID 18461 _Entity.ID 4 _Entity.BMRB_code HOH _Entity.Name entity_HOH _Entity.Type water _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID HOH _Entity.Nonpolymer_comp_label $chem_comp_HOH _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 4 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18.015 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID WATER BMRB 18461 4 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID WATER BMRB 18461 4 HOH 'Three letter code' 18461 4 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 HOH $chem_comp_HOH 18461 4 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 HOH H1 18461 4 2 1 HOH H2 18461 4 3 1 HOH O 18461 4 stop_ save_ save_entry_2 _Entity.Sf_category entity _Entity.Sf_framecode entry_2 _Entity.Entry_ID 18461 _Entity.ID 5 _Entity.BMRB_code . _Entity.Name entry_2 _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 ; XXXSNTIRVFLPNKQRTVVN VRNGMSLHDCLMKALKVRGL QPECCAVFRLLHEHKGKKAR LDWNTDAASLIGEELQVDF ; _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 . _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 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 PDB 1C1Y . "Crystal Structure Of Rap.Gmppnp In Complex With The Ras- Binding-Domain Of C-Raf1 Kinase (Rafrbd)." . . . . . 96.20 77 100.00 100.00 2.39e-48 . . . . 18461 5 2 no PDB 1GUA . "Human Rap1a, Residues 1-167, Double Mutant (E30d,K31e) Complexed With Gppnhp And The Ras-Binding-Domain Of Human C-Raf1, Residu" . . . . . 96.20 81 100.00 100.00 1.84e-48 . . . . 18461 5 3 no PDB 1RFA . "Nmr Solution Structure Of The Ras-Binding Domain Of C-Raf-1" . . . . . 96.20 79 100.00 100.00 2.52e-48 . . . . 18461 5 4 no PDB 1RRB . "The Ras-Binding Domain Of Raf-1 From Rat, Nmr, 1 Structure" . . . . . 96.20 107 98.68 98.68 1.14e-47 . . . . 18461 5 5 no PDB 3KUC . "Complex Of Rap1a(E30dK31E)GDP WITH RAFRBD(A85KN71R)" . . . . . 96.20 81 97.37 97.37 1.18e-46 . . . . 18461 5 6 no PDB 3KUD . "Complex Of Ras-Gdp With Rafrbd(A85k)" . . . . . 96.20 81 98.68 98.68 1.27e-47 . . . . 18461 5 7 no PDB 4G0N . "Crystal Structure Of Wt H-ras-gppnhp Bound To The Rbd Of Raf Kinase" . . . . . 96.20 78 100.00 100.00 2.00e-48 . . . . 18461 5 8 no PDB 4G3X . "Crystal Structure Of Q61l H-ras-gppnhp Bound To The Rbd Of Raf Kinase" . . . . . 96.20 77 100.00 100.00 2.39e-48 . . . . 18461 5 9 no DBJ BAB39743 . "protein kinase raf 1 [Mus musculus]" . . . . . 96.20 648 98.68 98.68 6.73e-45 . . . . 18461 5 10 no DBJ BAB39748 . "protein kinase raf 1 [Mus musculus]" . . . . . 96.20 495 98.68 98.68 3.78e-45 . . . . 18461 5 11 no DBJ BAB83675 . "cRAF [Mus musculus]" . . . . . 54.43 97 100.00 100.00 3.99e-22 . . . . 18461 5 12 no DBJ BAE24820 . "unnamed protein product [Mus musculus]" . . . . . 96.20 648 98.68 98.68 6.73e-45 . . . . 18461 5 13 no DBJ BAG10817 . "RAF proto-oncogene serine/threonine-protein kinase [synthetic construct]" . . . . . 96.20 648 100.00 100.00 5.73e-46 . . . . 18461 5 14 no EMBL CAA27204 . "unnamed protein product [Homo sapiens]" . . . . . 96.20 648 100.00 100.00 5.73e-46 . . . . 18461 5 15 no EMBL CAH92939 . "hypothetical protein [Pongo abelii]" . . . . . 96.20 648 100.00 100.00 5.73e-46 . . . . 18461 5 16 no GB AAA42001 . "raf protein [Rattus norvegicus]" . . . . . 96.20 648 98.68 98.68 6.73e-45 . . . . 18461 5 17 no GB AAB27591 . "c-Raf serine/threonine kinase=H-Ras interacting protein [mice, embryos, Peptide Partial, 81 aa]" . . . . . 96.20 81 98.68 98.68 9.44e-48 . . . . 18461 5 18 no GB AAH15273 . "V-raf-leukemia viral oncogene 1 [Mus musculus]" . . . . . 96.20 648 98.68 98.68 6.73e-45 . . . . 18461 5 19 no GB AAH18119 . "V-raf-1 murine leukemia viral oncogene homolog 1 [Homo sapiens]" . . . . . 96.20 648 100.00 100.00 5.73e-46 . . . . 18461 5 20 no GB AAH62071 . "V-raf-leukemia viral oncogene 1 [Rattus norvegicus]" . . . . . 96.20 648 98.68 98.68 6.73e-45 . . . . 18461 5 21 no REF NP_001095975 . "RAF proto-oncogene serine/threonine-protein kinase [Bos taurus]" . . . . . 96.20 668 100.00 100.00 6.59e-46 . . . . 18461 5 22 no REF NP_001126730 . "RAF proto-oncogene serine/threonine-protein kinase [Pongo abelii]" . . . . . 96.20 648 100.00 100.00 5.73e-46 . . . . 18461 5 23 no REF NP_001253231 . "RAF proto-oncogene serine/threonine-protein kinase [Macaca mulatta]" . . . . . 96.20 648 100.00 100.00 5.73e-46 . . . . 18461 5 24 no REF NP_002871 . "RAF proto-oncogene serine/threonine-protein kinase [Homo sapiens]" . . . . . 96.20 648 100.00 100.00 5.73e-46 . . . . 18461 5 25 no REF NP_036771 . "RAF proto-oncogene serine/threonine-protein kinase [Rattus norvegicus]" . . . . . 96.20 648 98.68 98.68 6.73e-45 . . . . 18461 5 26 no SP A7E3S4 . "RecName: Full=RAF proto-oncogene serine/threonine-protein kinase; AltName: Full=Proto-oncogene c-RAF; Short=cRaf; AltName: Full" . . . . . 96.20 648 100.00 100.00 4.22e-46 . . . . 18461 5 27 no SP P04049 . "RecName: Full=RAF proto-oncogene serine/threonine-protein kinase; AltName: Full=Proto-oncogene c-RAF; Short=cRaf; AltName: Full" . . . . . 96.20 648 100.00 100.00 5.73e-46 . . . . 18461 5 28 no SP P11345 . "RecName: Full=RAF proto-oncogene serine/threonine-protein kinase; AltName: Full=Proto-oncogene c-RAF; Short=cRaf; AltName: Full" . . . . . 96.20 648 98.68 98.68 6.73e-45 . . . . 18461 5 29 no SP Q5R5M7 . "RecName: Full=RAF proto-oncogene serine/threonine-protein kinase; AltName: Full=Proto-oncogene c-RAF; Short=cRaf; AltName: Full" . . . . . 96.20 648 100.00 100.00 5.73e-46 . . . . 18461 5 30 no SP Q99N57 . "RecName: Full=RAF proto-oncogene serine/threonine-protein kinase; AltName: Full=Proto-oncogene c-RAF; Short=cRaf; AltName: Full" . . . . . 96.20 648 98.68 98.68 6.73e-45 . . . . 18461 5 31 no TPG DAA16778 . "TPA: RAF proto-oncogene serine/threonine-protein kinase [Bos taurus]" . . . . . 96.20 260 100.00 100.00 1.38e-46 . . . . 18461 5 32 no TPG DAA16781 . "TPA: RAF proto-oncogene serine/threonine-protein kinase-like [Bos taurus]" . . . . . 96.20 291 100.00 100.00 2.33e-46 . . . . 18461 5 33 no TPG DAA16798 . "TPA: RAF proto-oncogene serine/threonine-protein kinase [Bos taurus]" . . . . . 96.20 340 100.00 100.00 4.21e-47 . . . . 18461 5 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 . X . 18461 5 2 . X . 18461 5 3 . X . 18461 5 4 . SER . 18461 5 5 . ASN . 18461 5 6 . THR . 18461 5 7 . ILE . 18461 5 8 . ARG . 18461 5 9 . VAL . 18461 5 10 . PHE . 18461 5 11 . LEU . 18461 5 12 . PRO . 18461 5 13 . ASN . 18461 5 14 . LYS . 18461 5 15 . GLN . 18461 5 16 . ARG . 18461 5 17 . THR . 18461 5 18 . VAL . 18461 5 19 . VAL . 18461 5 20 . ASN . 18461 5 21 . VAL . 18461 5 22 . ARG . 18461 5 23 . ASN . 18461 5 24 . GLY . 18461 5 25 . MET . 18461 5 26 . SER . 18461 5 27 . LEU . 18461 5 28 . HIS . 18461 5 29 . ASP . 18461 5 30 . CYS . 18461 5 31 . LEU . 18461 5 32 . MET . 18461 5 33 . LYS . 18461 5 34 . ALA . 18461 5 35 . LEU . 18461 5 36 . LYS . 18461 5 37 . VAL . 18461 5 38 . ARG . 18461 5 39 . GLY . 18461 5 40 . LEU . 18461 5 41 . GLN . 18461 5 42 . PRO . 18461 5 43 . GLU . 18461 5 44 . CYS . 18461 5 45 . CYS . 18461 5 46 . ALA . 18461 5 47 . VAL . 18461 5 48 . PHE . 18461 5 49 . ARG . 18461 5 50 . LEU . 18461 5 51 . LEU . 18461 5 52 . HIS . 18461 5 53 . GLU . 18461 5 54 . HIS . 18461 5 55 . LYS . 18461 5 56 . GLY . 18461 5 57 . LYS . 18461 5 58 . LYS . 18461 5 59 . ALA . 18461 5 60 . ARG . 18461 5 61 . LEU . 18461 5 62 . ASP . 18461 5 63 . TRP . 18461 5 64 . ASN . 18461 5 65 . THR . 18461 5 66 . ASP . 18461 5 67 . ALA . 18461 5 68 . ALA . 18461 5 69 . SER . 18461 5 70 . LEU . 18461 5 71 . ILE . 18461 5 72 . GLY . 18461 5 73 . GLU . 18461 5 74 . GLU . 18461 5 75 . LEU . 18461 5 76 . GLN . 18461 5 77 . VAL . 18461 5 78 . ASP . 18461 5 79 . PHE . 18461 5 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 . X 1 1 18461 5 . X 2 2 18461 5 . X 3 3 18461 5 . SER 4 4 18461 5 . ASN 5 5 18461 5 . THR 6 6 18461 5 . ILE 7 7 18461 5 . ARG 8 8 18461 5 . VAL 9 9 18461 5 . PHE 10 10 18461 5 . LEU 11 11 18461 5 . PRO 12 12 18461 5 . ASN 13 13 18461 5 . LYS 14 14 18461 5 . GLN 15 15 18461 5 . ARG 16 16 18461 5 . THR 17 17 18461 5 . VAL 18 18 18461 5 . VAL 19 19 18461 5 . ASN 20 20 18461 5 . VAL 21 21 18461 5 . ARG 22 22 18461 5 . ASN 23 23 18461 5 . GLY 24 24 18461 5 . MET 25 25 18461 5 . SER 26 26 18461 5 . LEU 27 27 18461 5 . HIS 28 28 18461 5 . ASP 29 29 18461 5 . CYS 30 30 18461 5 . LEU 31 31 18461 5 . MET 32 32 18461 5 . LYS 33 33 18461 5 . ALA 34 34 18461 5 . LEU 35 35 18461 5 . LYS 36 36 18461 5 . VAL 37 37 18461 5 . ARG 38 38 18461 5 . GLY 39 39 18461 5 . LEU 40 40 18461 5 . GLN 41 41 18461 5 . PRO 42 42 18461 5 . GLU 43 43 18461 5 . CYS 44 44 18461 5 . CYS 45 45 18461 5 . ALA 46 46 18461 5 . VAL 47 47 18461 5 . PHE 48 48 18461 5 . ARG 49 49 18461 5 . LEU 50 50 18461 5 . LEU 51 51 18461 5 . HIS 52 52 18461 5 . GLU 53 53 18461 5 . HIS 54 54 18461 5 . LYS 55 55 18461 5 . GLY 56 56 18461 5 . LYS 57 57 18461 5 . LYS 58 58 18461 5 . ALA 59 59 18461 5 . ARG 60 60 18461 5 . LEU 61 61 18461 5 . ASP 62 62 18461 5 . TRP 63 63 18461 5 . ASN 64 64 18461 5 . THR 65 65 18461 5 . ASP 66 66 18461 5 . ALA 67 67 18461 5 . ALA 68 68 18461 5 . SER 69 69 18461 5 . LEU 70 70 18461 5 . ILE 71 71 18461 5 . GLY 72 72 18461 5 . GLU 73 73 18461 5 . GLU 74 74 18461 5 . LEU 75 75 18461 5 . GLN 76 76 18461 5 . VAL 77 77 18461 5 . ASP 78 78 18461 5 . PHE 79 79 18461 5 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 18461 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18461 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 18461 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX-6P . . . . . . 18461 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_GNP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_GNP _Chem_comp.Entry_ID 18461 _Chem_comp.ID GNP _Chem_comp.Provenance PDB _Chem_comp.Name 'PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code GNP _Chem_comp.PDB_code GNP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-04-05 _Chem_comp.Modified_date 2012-04-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces GTN _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code GNP _Chem_comp.Number_atoms_all 49 _Chem_comp.Number_atoms_nh 32 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H17 N6 O13 P3' _Chem_comp.Formula_weight 522.196 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1CTQ _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1 InChI InChI 1.03 18461 GNP UQABYHGXWYXDTK-UUOKFMHZSA-N InChIKey InChI 1.03 18461 GNP O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O SMILES ACDLabs 10.04 18461 GNP NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 18461 GNP c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N SMILES 'OpenEye OEToolkits' 1.5.0 18461 GNP NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 18461 GNP c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18461 GNP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]guanosine 'SYSTEMATIC NAME' ACDLabs 10.04 18461 GNP '[[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18461 GNP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1' C1' C1' C1* . C . . R 0 . . . 1 no no . . . . 14.116 . 33.758 . 19.817 . 0.808 -0.272 -3.402 21 . 18461 GNP C2 C2 C2 C2 . C . . N 0 . . . 1 yes no . . . . 17.576 . 32.330 . 17.793 . -0.646 -1.129 -7.549 29 . 18461 GNP C2' C2' C2' C2* . C . . R 0 . . . 1 no no . . . . 13.257 . 34.966 . 19.546 . 1.997 0.695 -3.592 19 . 18461 GNP C3' C3' C3' C3* . C . . S 0 . . . 1 no no . . . . 12.657 . 35.142 . 20.956 . 2.674 0.734 -2.202 17 . 18461 GNP C4 C4 C4 C4 . C . . N 0 . . . 1 yes no . . . . 15.526 . 32.598 . 18.035 . -0.670 -0.168 -5.449 32 . 18461 GNP C4' C4' C4' C4* . C . . R 0 . . . 1 no no . . . . 12.433 . 33.663 . 21.389 . 1.815 -0.217 -1.339 15 . 18461 GNP C5 C5 C5 C5 . C . . N 0 . . . 1 yes no . . . . 15.262 . 31.974 . 16.869 . -1.853 0.512 -5.759 25 . 18461 GNP C5' C5' C5' C5* . C . . N 0 . . . 1 no no . . . . 11.013 . 33.228 . 21.198 . 1.688 0.322 0.086 14 . 18461 GNP C6 C6 C6 C6 . C . . N 0 . . . 1 yes no . . . . 16.309 . 31.355 . 16.084 . -2.423 0.330 -7.041 26 . 18461 GNP C8 C8 C8 C8 . C . . N 0 . . . 1 yes no . . . . 13.285 . 32.569 . 17.679 . -1.315 1.051 -3.730 23 . 18461 GNP H1' H1' H1' H1* . H . . N 0 . . . 1 no no . . . . 15.102 . 34.070 . 20.230 . 1.087 -1.281 -3.708 45 . 18461 GNP H2' H2' H2' H2* . H . . N 0 . . . 1 no no . . . . 12.500 . 34.887 . 18.730 . 1.639 1.686 -3.871 43 . 18461 GNP H3' H3' H3' H3* . H . . N 0 . . . 1 no no . . . . 11.732 . 35.763 . 21.003 . 2.652 1.744 -1.793 41 . 18461 GNP H4' H4' H4' H4* . H . . N 0 . . . 1 no no . . . . 12.560 . 33.493 . 22.483 . 2.251 -1.216 -1.329 40 . 18461 GNP H5'1 H5'1 H5'1 1H5* . H . . N 0 . . . 0 no no . . . . 10.833 . 32.198 . 21.586 . 2.673 0.356 0.551 39 . 18461 GNP H5'2 H5'2 H5'2 2H5* . H . . N 0 . . . 0 no no . . . . 10.312 . 33.778 . 21.868 . 1.265 1.326 0.058 38 . 18461 GNP H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 12.203 . 32.779 . 17.728 . -1.341 1.509 -2.752 46 . 18461 GNP HN1 HN1 HN1 HN1 . H . . N 0 . . . 1 no no . . . . 18.375 . 31.513 . 16.056 . -2.166 -0.630 -8.797 47 . 18461 GNP HN21 HN21 HN21 1HN2 . H . . N 0 . . . 0 no no . . . . 18.992 . 32.991 . 19.048 . 0.786 -2.419 -8.210 48 . 18461 GNP HN22 HN22 HN22 2HN2 . H . . N 0 . . . 0 no no . . . . 19.471 . 33.029 . 17.420 . -0.421 -2.092 -9.332 49 . 18461 GNP HNB3 HNB3 HNB3 3HNB . H . . N 0 . . . 0 no no . . . . 7.146 . 31.125 . 21.968 . -2.175 -0.988 5.353 35 . 18461 GNP HO2' HO2' HO2' *HO2 . H . . N 0 . . . 0 no no . . . . 14.436 . 35.926 . 18.297 . 3.651 0.810 -4.606 44 . 18461 GNP HO3' HO3' HO3' *HO3 . H . . N 0 . . . 0 no no . . . . 13.762 . 36.688 . 21.539 . 4.505 0.889 -2.833 42 . 18461 GNP HOA2 HOA2 HOA2 2HOA . H . . N 0 . . . 0 no no . . . . 8.842 . 35.314 . 19.885 . 2.543 -0.764 3.004 37 . 18461 GNP HOB2 HOB2 HOB2 2HOB . H . . N 0 . . . 0 no no . . . . 6.758 . 31.939 . 17.882 . 1.553 -1.004 5.362 36 . 18461 GNP HOG2 HOG2 HOG2 2HOG . H . . N 0 . . . 0 no no . . . . 4.151 . 31.939 . 19.850 . -2.127 -0.645 9.083 33 . 18461 GNP HOG3 HOG3 HOG3 3HOG . H . . N 0 . . . 0 no no . . . . 4.578 . 29.672 . 20.790 . 0.579 -1.147 7.860 34 . 18461 GNP N1 N1 N1 N1 . N . . N 0 . . . 1 yes no . . . . 17.523 . 31.709 . 16.581 . -1.794 -0.489 -7.912 28 . 18461 GNP N2 N2 N2 N2 . N . . N 0 . . . 1 no no . . . . 18.953 . 32.527 . 18.141 . -0.033 -1.960 -8.453 30 . 18461 GNP N3 N3 N3 N3 . N . . N 0 . . . 1 yes no . . . . 16.717 . 32.788 . 18.612 . -0.107 -0.968 -6.361 31 . 18461 GNP N3B N3B N3B N3B . N . . N 0 . . . 1 no no . . . . 6.611 . 31.682 . 21.302 . -1.236 -1.064 5.714 5 . 18461 GNP N7 N7 N7 N7 . N . . N 0 . . . 1 yes no . . . . 13.785 . 31.834 . 16.715 . -2.196 1.240 -4.668 24 . 18461 GNP N9 N9 N9 N9 . N . . N 0 . . . 1 yes no . . . . 14.351 . 32.999 . 18.572 . -0.352 0.188 -4.166 22 . 18461 GNP O1A O1A O1A O1A . O . . N 0 . . . 1 no no . . . . 9.236 . 33.433 . 17.890 . 0.185 1.458 2.252 11 . 18461 GNP O1B O1B O1B O1B . O . . N 0 . . . 1 no no . . . . 7.408 . 29.908 . 19.616 . -0.795 1.221 4.589 7 . 18461 GNP O1G O1G O1G O1G . O . . N 0 . . . 1 no no . . . . 4.899 . 32.144 . 23.047 . -1.759 1.078 7.063 2 . 18461 GNP O2' O2' O2' O2* . O . . N 0 . . . 1 no no . . . . 14.067 . 36.035 . 19.166 . 2.904 0.196 -4.577 20 . 18461 GNP O2A O2A O2A O2A . O . . N 0 . . . 1 no no . . . . 8.532 . 34.468 . 20.185 . 2.216 0.145 2.974 12 . 18461 GNP O2B O2B O2B O2B . O . . N 0 . . . 1 no no . . . . 6.425 . 32.127 . 18.752 . 1.237 -0.091 5.307 8 . 18461 GNP O2G O2G O2G O2G . O . . N 0 . . . 1 no no . . . . 4.129 . 32.343 . 20.710 . -2.158 -1.118 8.240 3 . 18461 GNP O3' O3' O3' O3* . O . . N 0 . . . 1 no no . . . . 13.626 . 35.786 . 21.804 . 4.018 0.258 -2.285 18 . 18461 GNP O3A O3A O3A O3A . O . . N 0 . . . 1 no no . . . . 8.690 . 32.006 . 19.856 . -0.209 -0.830 3.240 9 . 18461 GNP O3G O3G O3G O3G . O . . N 0 . . . 1 no no . . . . 4.556 . 30.076 . 21.650 . 0.274 -0.234 7.778 4 . 18461 GNP O4' O4' O4' O4* . O . . N 0 . . . 1 no no . . . . 13.401 . 32.943 . 20.714 . 0.524 -0.237 -1.986 16 . 18461 GNP O5' O5' O5' O5* . O . . N 0 . . . 1 no no . . . . 10.648 . 33.354 . 19.815 . 0.832 -0.534 0.845 13 . 18461 GNP O6 O6 O6 O6 . O . . N 0 . . . 1 no no . . . . 16.242 . 30.767 . 15.067 . -3.453 0.902 -7.354 27 . 18461 GNP PA PA PA PA . P . . S 0 . . . 1 no no . . . . 9.197 . 33.390 . 19.367 . 0.744 0.089 2.326 10 . 18461 GNP PB PB PB PB . P . . R 0 . . . 1 no no . . . . 7.202 . 31.350 . 19.762 . -0.252 -0.151 4.699 6 . 18461 GNP PG PG PG PG . P . . N 0 . . . 1 no no . . . . 4.935 . 31.507 . 21.691 . -1.231 -0.295 7.212 1 . 18461 GNP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PG O1G no N 1 . 18461 GNP 2 . SING PG O2G no N 2 . 18461 GNP 3 . SING PG O3G no N 3 . 18461 GNP 4 . SING PG N3B no N 4 . 18461 GNP 5 . SING O2G HOG2 no N 5 . 18461 GNP 6 . SING O3G HOG3 no N 6 . 18461 GNP 7 . SING N3B PB no N 7 . 18461 GNP 8 . SING N3B HNB3 no N 8 . 18461 GNP 9 . DOUB PB O1B no N 9 . 18461 GNP 10 . SING PB O2B no N 10 . 18461 GNP 11 . SING PB O3A no N 11 . 18461 GNP 12 . SING O2B HOB2 no N 12 . 18461 GNP 13 . SING O3A PA no N 13 . 18461 GNP 14 . DOUB PA O1A no N 14 . 18461 GNP 15 . SING PA O2A no N 15 . 18461 GNP 16 . SING PA O5' no N 16 . 18461 GNP 17 . SING O2A HOA2 no N 17 . 18461 GNP 18 . SING O5' C5' no N 18 . 18461 GNP 19 . SING C5' C4' no N 19 . 18461 GNP 20 . SING C5' H5'2 no N 20 . 18461 GNP 21 . SING C5' H5'1 no N 21 . 18461 GNP 22 . SING C4' O4' no N 22 . 18461 GNP 23 . SING C4' C3' no N 23 . 18461 GNP 24 . SING C4' H4' no N 24 . 18461 GNP 25 . SING O4' C1' no N 25 . 18461 GNP 26 . SING C3' O3' no N 26 . 18461 GNP 27 . SING C3' C2' no N 27 . 18461 GNP 28 . SING C3' H3' no N 28 . 18461 GNP 29 . SING O3' HO3' no N 29 . 18461 GNP 30 . SING C2' O2' no N 30 . 18461 GNP 31 . SING C2' C1' no N 31 . 18461 GNP 32 . SING C2' H2' no N 32 . 18461 GNP 33 . SING O2' HO2' no N 33 . 18461 GNP 34 . SING C1' N9 no N 34 . 18461 GNP 35 . SING C1' H1' no N 35 . 18461 GNP 36 . SING N9 C8 yes N 36 . 18461 GNP 37 . SING N9 C4 yes N 37 . 18461 GNP 38 . DOUB C8 N7 yes N 38 . 18461 GNP 39 . SING C8 H8 no N 39 . 18461 GNP 40 . SING N7 C5 yes N 40 . 18461 GNP 41 . SING C5 C6 yes N 41 . 18461 GNP 42 . DOUB C5 C4 yes N 42 . 18461 GNP 43 . DOUB C6 O6 no N 43 . 18461 GNP 44 . SING C6 N1 yes N 44 . 18461 GNP 45 . SING N1 C2 yes N 45 . 18461 GNP 46 . SING N1 HN1 no N 46 . 18461 GNP 47 . SING C2 N2 no N 47 . 18461 GNP 48 . DOUB C2 N3 yes N 48 . 18461 GNP 49 . SING N2 HN21 no N 49 . 18461 GNP 50 . SING N2 HN22 no N 50 . 18461 GNP 51 . SING N3 C4 yes N 51 . 18461 GNP stop_ save_ save_chem_comp_MG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MG _Chem_comp.Entry_ID 18461 _Chem_comp.ID MG _Chem_comp.Provenance PDB _Chem_comp.Name 'MAGNESIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code MG _Chem_comp.PDB_code MG _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-04-05 _Chem_comp.Modified_date 2012-04-05 _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 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Mg/q+2 _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 . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Mg/q+2 InChI InChI 1.03 18461 MG JLVVSXFLKOJNIY-UHFFFAOYSA-N InChIKey InChI 1.03 18461 MG [Mg+2] SMILES ACDLabs 10.04 18461 MG [Mg++] SMILES CACTVS 3.341 18461 MG [Mg+2] SMILES 'OpenEye OEToolkits' 1.5.0 18461 MG [Mg++] SMILES_CANONICAL CACTVS 3.341 18461 MG [Mg+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18461 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 18461 MG 'magnesium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18461 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 MG . MG . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 18461 MG stop_ save_ save_chem_comp_HOH _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_HOH _Chem_comp.Entry_ID 18461 _Chem_comp.ID HOH _Chem_comp.Provenance PDB _Chem_comp.Name WATER _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code HOH _Chem_comp.PDB_code HOH _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-04-05 _Chem_comp.Modified_date 2012-04-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces MTO _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code HOH _Chem_comp.Number_atoms_all 3 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/H2O/h1H2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'H2 O' _Chem_comp.Formula_weight 18.015 _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 1NHE _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/H2O/h1H2 InChI InChI 1.03 18461 HOH XLYOFNOQVPJJNP-UHFFFAOYSA-N InChIKey InChI 1.03 18461 HOH O SMILES ACDLabs 10.04 18461 HOH O SMILES CACTVS 3.341 18461 HOH O SMILES 'OpenEye OEToolkits' 1.5.0 18461 HOH O SMILES_CANONICAL CACTVS 3.341 18461 HOH O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18461 HOH 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 water 'SYSTEMATIC NAME' ACDLabs 10.04 18461 HOH oxidane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18461 HOH 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 H1 H1 H1 1H . H . . N 0 . . . 1 no no . . . . -22.157 . 18.401 . -21.626 . 0.512 0.000 -0.776 2 . 18461 HOH H2 H2 H2 2H . H . . N 0 . . . 1 no no . . . . -23.424 . 18.401 . -20.730 . 0.512 0.000 0.776 3 . 18461 HOH O O O O . O . . N 0 . . . 1 no no . . . . -23.107 . 18.401 . -21.626 . -0.064 0.000 0.000 1 . 18461 HOH stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING O H1 no N 1 . 18461 HOH 2 . SING O H2 no N 2 . 18461 HOH stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18461 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 H-Ras-GppNHp '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 1-2 . . mM . . . . 18461 1 2 'PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER' 'natural abundance' . . 2 $entity_GNP . . 1-2 . . mM . . . . 18461 1 3 'MAGNESIUM ION' 'natural abundance' . . 3 $entity_MG . . 10 . . mM . . . . 18461 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 18461 1 5 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 18461 1 6 'Ras-binding domain of cRaf1' 'natural abundance' . . 5 $entry_2 . . 1-2 . . mM . . . . 18461 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18461 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 H-Ras-GppNHp '[U-98% 15N]' . . 1 $entity_1 . . 1-2 . . mM . . . . 18461 2 2 'PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER' 'natural abundance' . . 2 $entity_GNP . . 1-2 . . mM . . . . 18461 2 3 'MAGNESIUM ION' 'natural abundance' . . 3 $entity_MG . . 10 . . mM . . . . 18461 2 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 18461 2 5 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 18461 2 6 'Ras-binding domain of cRaf1' 'natural abundance' . . 5 $entry_2 . . 1-2 . . mM . . . . 18461 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18461 _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 temperature 298 . K 18461 1 pH 6.8 . pH 18461 1 pressure 1 . atm 18461 1 'ionic strength' 0.24 . M 18461 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18461 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18461 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18461 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18461 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18461 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 18461 2 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 18461 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18461 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 750 . . . 18461 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 18461 _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 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18461 1 2 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18461 1 3 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18461 1 4 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18461 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18461 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _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_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18461 _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 TSP 'methyl protons' . . . . ppm 0.00 external indirect 1.000000000 . . . . . . . . . 18461 1 C 13 TSP 'methyl protons' . . . . ppm 0.00 external indirect 0.251449530 . . . . . . . . . 18461 1 N 15 TSP 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 . . . . . . . . . 18461 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18461 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . . 18461 1 2 '3D HN(CO)CA' . . . 18461 1 3 '2D 1H-15N HSQC' . . . 18461 1 4 '3D 1H-15N NOESY' . . . 18461 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 7 7 MET H H 1 8.119 0.001 . 1 . . . . 1 MET HN . 18461 1 2 . 1 1 7 7 MET CA C 13 55.362 0.013 . 1 . . . . 1 MET CA . 18461 1 3 . 1 1 7 7 MET N N 15 121.510 0.038 . 1 . . . . 1 MET N . 18461 1 4 . 1 1 8 8 THR H H 1 8.763 0.004 . 1 . . . . 2 THR HN . 18461 1 5 . 1 1 8 8 THR CA C 13 63.733 0.013 . 1 . . . . 2 THR CA . 18461 1 6 . 1 1 8 8 THR N N 15 124.505 0.078 . 1 . . . . 2 THR N . 18461 1 7 . 1 1 9 9 GLU H H 1 8.341 0.004 . 1 . . . . 3 GLU HN . 18461 1 8 . 1 1 9 9 GLU CA C 13 53.596 0.009 . 1 . . . . 3 GLU CA . 18461 1 9 . 1 1 9 9 GLU N N 15 127.503 0.077 . 1 . . . . 3 GLU N . 18461 1 10 . 1 1 10 10 TYR H H 1 8.703 0.002 . 1 . . . . 4 TYR HN . 18461 1 11 . 1 1 10 10 TYR CA C 13 56.799 0.040 . 1 . . . . 4 TYR CA . 18461 1 12 . 1 1 10 10 TYR N N 15 123.675 0.017 . 1 . . . . 4 TYR N . 18461 1 13 . 1 1 11 11 LYS H H 1 9.145 0.009 . 1 . . . . 5 LYS HN . 18461 1 14 . 1 1 11 11 LYS CA C 13 55.551 0.115 . 1 . . . . 5 LYS CA . 18461 1 15 . 1 1 11 11 LYS N N 15 125.039 0.126 . 1 . . . . 5 LYS N . 18461 1 16 . 1 1 12 12 LEU H H 1 9.256 0.009 . 1 . . . . 6 LEU HN . 18461 1 17 . 1 1 12 12 LEU CA C 13 52.931 0.041 . 1 . . . . 6 LEU CA . 18461 1 18 . 1 1 12 12 LEU N N 15 126.645 0.036 . 1 . . . . 6 LEU N . 18461 1 19 . 1 1 13 13 VAL H H 1 8.194 0.008 . 1 . . . . 7 VAL HN . 18461 1 20 . 1 1 13 13 VAL CA C 13 60.811 0.111 . 1 . . . . 7 VAL CA . 18461 1 21 . 1 1 13 13 VAL N N 15 123.582 0.158 . 1 . . . . 7 VAL N . 18461 1 22 . 1 1 14 14 VAL H H 1 9.043 0.003 . 1 . . . . 8 VAL HN . 18461 1 23 . 1 1 14 14 VAL CA C 13 62.047 0.095 . 1 . . . . 8 VAL CA . 18461 1 24 . 1 1 14 14 VAL N N 15 130.900 0.034 . 1 . . . . 8 VAL N . 18461 1 25 . 1 1 15 15 VAL H H 1 9.144 0.006 . 1 . . . . 9 VAL HN . 18461 1 26 . 1 1 15 15 VAL CA C 13 58.630 0.000 . 1 . . . . 9 VAL CA . 18461 1 27 . 1 1 15 15 VAL N N 15 121.328 0.270 . 1 . . . . 9 VAL N . 18461 1 28 . 1 1 16 16 GLY H H 1 7.697 0.002 . 1 . . . . 10 GLY HN . 18461 1 29 . 1 1 16 16 GLY CA C 13 43.745 0.000 . 1 . . . . 10 GLY CA . 18461 1 30 . 1 1 16 16 GLY N N 15 109.683 0.158 . 1 . . . . 10 GLY N . 18461 1 31 . 1 1 17 17 ALA H H 1 9.067 0.007 . 1 . . . . 11 ALA HN . 18461 1 32 . 1 1 17 17 ALA CA C 13 52.278 0.086 . 1 . . . . 11 ALA CA . 18461 1 33 . 1 1 17 17 ALA N N 15 122.301 0.029 . 1 . . . . 11 ALA N . 18461 1 34 . 1 1 18 18 GLY H H 1 8.378 0.004 . 1 . . . . 12 GLY HN . 18461 1 35 . 1 1 18 18 GLY CA C 13 46.378 0.000 . 1 . . . . 12 GLY CA . 18461 1 36 . 1 1 18 18 GLY N N 15 106.661 0.031 . 1 . . . . 12 GLY N . 18461 1 37 . 1 1 19 19 GLY H H 1 9.165 0.011 . 1 . . . . 13 GLY HN . 18461 1 38 . 1 1 19 19 GLY CA C 13 45.947 0.007 . 1 . . . . 13 GLY CA . 18461 1 39 . 1 1 19 19 GLY N N 15 115.221 0.174 . 1 . . . . 13 GLY N . 18461 1 40 . 1 1 20 20 VAL H H 1 7.443 0.003 . 1 . . . . 14 VAL HN . 18461 1 41 . 1 1 20 20 VAL CA C 13 62.801 0.000 . 1 . . . . 14 VAL CA . 18461 1 42 . 1 1 20 20 VAL N N 15 113.751 0.021 . 1 . . . . 14 VAL N . 18461 1 43 . 1 1 21 21 GLY H H 1 8.283 0.000 . 1 . . . . 15 GLY HN . 18461 1 44 . 1 1 21 21 GLY CA C 13 45.908 0.027 . 1 . . . . 15 GLY CA . 18461 1 45 . 1 1 21 21 GLY N N 15 109.258 0.104 . 1 . . . . 15 GLY N . 18461 1 46 . 1 1 22 22 LYS H H 1 8.884 0.002 . 1 . . . . 16 LYS HN . 18461 1 47 . 1 1 22 22 LYS CA C 13 61.077 0.020 . 1 . . . . 16 LYS CA . 18461 1 48 . 1 1 22 22 LYS N N 15 124.252 0.133 . 1 . . . . 16 LYS N . 18461 1 49 . 1 1 23 23 SER H H 1 9.411 0.011 . 1 . . . . 17 SER HN . 18461 1 50 . 1 1 23 23 SER CA C 13 60.718 0.246 . 1 . . . . 17 SER CA . 18461 1 51 . 1 1 23 23 SER N N 15 121.357 0.164 . 1 . . . . 17 SER N . 18461 1 52 . 1 1 24 24 ALA H H 1 9.683 0.010 . 1 . . . . 18 ALA HN . 18461 1 53 . 1 1 24 24 ALA CA C 13 54.204 0.089 . 1 . . . . 18 ALA CA . 18461 1 54 . 1 1 24 24 ALA N N 15 127.285 0.047 . 1 . . . . 18 ALA N . 18461 1 55 . 1 1 25 25 LEU H H 1 8.856 0.010 . 1 . . . . 19 LEU HN . 18461 1 56 . 1 1 25 25 LEU CA C 13 58.673 0.056 . 1 . . . . 19 LEU CA . 18461 1 57 . 1 1 25 25 LEU N N 15 121.455 0.031 . 1 . . . . 19 LEU N . 18461 1 58 . 1 1 26 26 THR H H 1 7.688 0.004 . 1 . . . . 20 THR HN . 18461 1 59 . 1 1 26 26 THR CA C 13 68.165 0.000 . 1 . . . . 20 THR CA . 18461 1 60 . 1 1 26 26 THR N N 15 118.475 0.016 . 1 . . . . 20 THR N . 18461 1 61 . 1 1 27 27 ILE H H 1 9.308 0.002 . 1 . . . . 21 ILE HN . 18461 1 62 . 1 1 27 27 ILE CA C 13 65.137 0.000 . 1 . . . . 21 ILE CA . 18461 1 63 . 1 1 27 27 ILE N N 15 122.611 0.081 . 1 . . . . 21 ILE N . 18461 1 64 . 1 1 28 28 GLN H H 1 7.862 0.012 . 1 . . . . 22 GLN HN . 18461 1 65 . 1 1 28 28 GLN CA C 13 59.165 0.046 . 1 . . . . 22 GLN CA . 18461 1 66 . 1 1 28 28 GLN N N 15 122.132 0.089 . 1 . . . . 22 GLN N . 18461 1 67 . 1 1 29 29 LEU H H 1 7.646 0.003 . 1 . . . . 23 LEU HN . 18461 1 68 . 1 1 29 29 LEU CA C 13 58.101 0.000 . 1 . . . . 23 LEU CA . 18461 1 69 . 1 1 29 29 LEU N N 15 122.543 0.031 . 1 . . . . 23 LEU N . 18461 1 70 . 1 1 30 30 ILE H H 1 8.133 0.002 . 1 . . . . 24 ILE HN . 18461 1 71 . 1 1 30 30 ILE CA C 13 62.290 0.047 . 1 . . . . 24 ILE CA . 18461 1 72 . 1 1 30 30 ILE N N 15 115.400 0.093 . 1 . . . . 24 ILE N . 18461 1 73 . 1 1 31 31 GLN H H 1 9.006 0.002 . 1 . . . . 25 GLN HN . 18461 1 74 . 1 1 31 31 GLN CA C 13 54.280 0.000 . 1 . . . . 25 GLN CA . 18461 1 75 . 1 1 31 31 GLN N N 15 120.136 0.011 . 1 . . . . 25 GLN N . 18461 1 76 . 1 1 32 32 ASN H H 1 8.106 0.000 . 1 . . . . 26 ASN HN . 18461 1 77 . 1 1 32 32 ASN CA C 13 54.372 0.000 . 1 . . . . 26 ASN CA . 18461 1 78 . 1 1 32 32 ASN N N 15 118.387 0.000 . 1 . . . . 26 ASN N . 18461 1 79 . 1 1 33 33 HIS H H 1 6.686 0.002 . 1 . . . . 27 HIS HN . 18461 1 80 . 1 1 33 33 HIS CA C 13 54.655 0.095 . 1 . . . . 27 HIS CA . 18461 1 81 . 1 1 33 33 HIS N N 15 114.840 0.085 . 1 . . . . 27 HIS N . 18461 1 82 . 1 1 34 34 PHE H H 1 8.321 0.002 . 1 . . . . 28 PHE HN . 18461 1 83 . 1 1 34 34 PHE CA C 13 54.562 0.112 . 1 . . . . 28 PHE CA . 18461 1 84 . 1 1 34 34 PHE N N 15 125.392 0.115 . 1 . . . . 28 PHE N . 18461 1 85 . 1 1 35 35 VAL H H 1 7.741 0.025 . 1 . . . . 29 VAL HN . 18461 1 86 . 1 1 35 35 VAL CA C 13 59.269 0.000 . 1 . . . . 29 VAL CA . 18461 1 87 . 1 1 35 35 VAL N N 15 128.385 0.268 . 1 . . . . 29 VAL N . 18461 1 88 . 1 1 36 36 ASP H H 1 7.788 0.001 . 1 . . . . 30 ASP HN . 18461 1 89 . 1 1 36 36 ASP CA C 13 54.579 0.000 . 1 . . . . 30 ASP CA . 18461 1 90 . 1 1 36 36 ASP N N 15 125.202 0.321 . 1 . . . . 30 ASP N . 18461 1 91 . 1 1 37 37 GLU CA C 13 55.870 0.000 . 1 . . . . 31 GLU CA . 18461 1 92 . 1 1 38 38 TYR H H 1 8.843 0.003 . 1 . . . . 32 TYR HN . 18461 1 93 . 1 1 38 38 TYR CA C 13 54.429 0.000 . 1 . . . . 32 TYR CA . 18461 1 94 . 1 1 38 38 TYR N N 15 124.023 0.196 . 1 . . . . 32 TYR N . 18461 1 95 . 1 1 39 39 ASP H H 1 8.258 0.002 . 1 . . . . 33 ASP HN . 18461 1 96 . 1 1 39 39 ASP N N 15 121.636 0.083 . 1 . . . . 33 ASP N . 18461 1 97 . 1 1 41 41 THR H H 1 9.998 0.001 . 1 . . . . 35 THR HN . 18461 1 98 . 1 1 41 41 THR CA C 13 63.940 0.000 . 1 . . . . 35 THR CA . 18461 1 99 . 1 1 41 41 THR N N 15 127.575 0.230 . 1 . . . . 35 THR N . 18461 1 100 . 1 1 42 42 ILE H H 1 8.623 0.000 . 1 . . . . 36 ILE HN . 18461 1 101 . 1 1 42 42 ILE CA C 13 64.388 0.061 . 1 . . . . 36 ILE CA . 18461 1 102 . 1 1 42 42 ILE N N 15 125.154 0.024 . 1 . . . . 36 ILE N . 18461 1 103 . 1 1 43 43 GLU H H 1 7.869 0.006 . 1 . . . . 37 GLU HN . 18461 1 104 . 1 1 43 43 GLU CA C 13 57.675 0.008 . 1 . . . . 37 GLU CA . 18461 1 105 . 1 1 43 43 GLU N N 15 119.193 0.124 . 1 . . . . 37 GLU N . 18461 1 106 . 1 1 44 44 ASP H H 1 8.017 0.002 . 1 . . . . 38 ASP HN . 18461 1 107 . 1 1 44 44 ASP CA C 13 54.593 0.053 . 1 . . . . 38 ASP CA . 18461 1 108 . 1 1 44 44 ASP N N 15 126.929 0.144 . 1 . . . . 38 ASP N . 18461 1 109 . 1 1 45 45 SER H H 1 9.087 0.008 . 1 . . . . 39 SER HN . 18461 1 110 . 1 1 45 45 SER CA C 13 55.869 0.015 . 1 . . . . 39 SER CA . 18461 1 111 . 1 1 45 45 SER N N 15 117.442 0.144 . 1 . . . . 39 SER N . 18461 1 112 . 1 1 46 46 TYR H H 1 9.203 0.005 . 1 . . . . 40 TYR HN . 18461 1 113 . 1 1 46 46 TYR CA C 13 56.553 0.066 . 1 . . . . 40 TYR CA . 18461 1 114 . 1 1 46 46 TYR N N 15 122.104 0.108 . 1 . . . . 40 TYR N . 18461 1 115 . 1 1 47 47 ARG H H 1 8.247 0.008 . 1 . . . . 41 ARG HN . 18461 1 116 . 1 1 47 47 ARG CA C 13 54.134 0.005 . 1 . . . . 41 ARG CA . 18461 1 117 . 1 1 47 47 ARG N N 15 121.363 0.035 . 1 . . . . 41 ARG N . 18461 1 118 . 1 1 48 48 LYS H H 1 8.787 0.003 . 1 . . . . 42 LYS HN . 18461 1 119 . 1 1 48 48 LYS CA C 13 55.462 0.078 . 1 . . . . 42 LYS CA . 18461 1 120 . 1 1 48 48 LYS N N 15 125.038 0.067 . 1 . . . . 42 LYS N . 18461 1 121 . 1 1 49 49 GLN H H 1 8.950 0.004 . 1 . . . . 43 GLN HN . 18461 1 122 . 1 1 49 49 GLN CA C 13 55.540 0.047 . 1 . . . . 43 GLN CA . 18461 1 123 . 1 1 49 49 GLN N N 15 130.685 0.082 . 1 . . . . 43 GLN N . 18461 1 124 . 1 1 50 50 VAL H H 1 9.101 0.004 . 1 . . . . 44 VAL HN . 18461 1 125 . 1 1 50 50 VAL CA C 13 59.451 0.005 . 1 . . . . 44 VAL CA . 18461 1 126 . 1 1 50 50 VAL N N 15 121.818 0.122 . 1 . . . . 44 VAL N . 18461 1 127 . 1 1 51 51 VAL H H 1 8.081 0.003 . 1 . . . . 45 VAL HN . 18461 1 128 . 1 1 51 51 VAL CA C 13 61.654 0.112 . 1 . . . . 45 VAL CA . 18461 1 129 . 1 1 51 51 VAL N N 15 122.107 0.092 . 1 . . . . 45 VAL N . 18461 1 130 . 1 1 52 52 ILE H H 1 8.195 0.005 . 1 . . . . 46 ILE HN . 18461 1 131 . 1 1 52 52 ILE CA C 13 60.249 0.143 . 1 . . . . 46 ILE CA . 18461 1 132 . 1 1 52 52 ILE N N 15 126.799 0.119 . 1 . . . . 46 ILE N . 18461 1 133 . 1 1 53 53 ASP H H 1 9.568 0.017 . 1 . . . . 47 ASP HN . 18461 1 134 . 1 1 53 53 ASP CA C 13 55.243 0.019 . 1 . . . . 47 ASP CA . 18461 1 135 . 1 1 53 53 ASP N N 15 131.892 0.066 . 1 . . . . 47 ASP N . 18461 1 136 . 1 1 54 54 GLY H H 1 8.346 0.002 . 1 . . . . 48 GLY HN . 18461 1 137 . 1 1 54 54 GLY CA C 13 45.148 0.014 . 1 . . . . 48 GLY CA . 18461 1 138 . 1 1 54 54 GLY N N 15 104.410 0.100 . 1 . . . . 48 GLY N . 18461 1 139 . 1 1 55 55 GLU H H 1 7.705 0.008 . 1 . . . . 49 GLU HN . 18461 1 140 . 1 1 55 55 GLU CA C 13 54.683 0.055 . 1 . . . . 49 GLU CA . 18461 1 141 . 1 1 55 55 GLU N N 15 123.609 0.072 . 1 . . . . 49 GLU N . 18461 1 142 . 1 1 56 56 THR H H 1 8.962 0.005 . 1 . . . . 50 THR HN . 18461 1 143 . 1 1 56 56 THR CA C 13 63.727 0.022 . 1 . . . . 50 THR CA . 18461 1 144 . 1 1 56 56 THR N N 15 126.953 0.089 . 1 . . . . 50 THR N . 18461 1 145 . 1 1 57 57 CYS H H 1 9.472 0.009 . 1 . . . . 51 CYS HN . 18461 1 146 . 1 1 57 57 CYS CA C 13 56.338 0.007 . 1 . . . . 51 CYS CA . 18461 1 147 . 1 1 57 57 CYS N N 15 124.896 0.273 . 1 . . . . 51 CYS N . 18461 1 148 . 1 1 58 58 LEU H H 1 8.832 0.001 . 1 . . . . 52 LEU HN . 18461 1 149 . 1 1 58 58 LEU CA C 13 53.443 0.039 . 1 . . . . 52 LEU CA . 18461 1 150 . 1 1 58 58 LEU N N 15 123.305 0.093 . 1 . . . . 52 LEU N . 18461 1 151 . 1 1 59 59 LEU H H 1 9.065 0.004 . 1 . . . . 53 LEU HN . 18461 1 152 . 1 1 59 59 LEU CA C 13 53.520 0.000 . 1 . . . . 53 LEU CA . 18461 1 153 . 1 1 59 59 LEU N N 15 124.300 0.046 . 1 . . . . 53 LEU N . 18461 1 154 . 1 1 60 60 ASP H H 1 8.910 0.003 . 1 . . . . 54 ASP HN . 18461 1 155 . 1 1 60 60 ASP CA C 13 53.096 0.210 . 1 . . . . 54 ASP CA . 18461 1 156 . 1 1 60 60 ASP N N 15 127.880 0.009 . 1 . . . . 54 ASP N . 18461 1 157 . 1 1 61 61 ILE H H 1 9.596 0.006 . 1 . . . . 55 ILE HN . 18461 1 158 . 1 1 61 61 ILE CA C 13 60.660 0.000 . 1 . . . . 55 ILE CA . 18461 1 159 . 1 1 61 61 ILE N N 15 126.166 0.055 . 1 . . . . 55 ILE N . 18461 1 160 . 1 1 62 62 LEU H H 1 9.030 0.003 . 1 . . . . 56 LEU HN . 18461 1 161 . 1 1 62 62 LEU CA C 13 53.882 0.000 . 1 . . . . 56 LEU CA . 18461 1 162 . 1 1 62 62 LEU N N 15 130.877 0.006 . 1 . . . . 56 LEU N . 18461 1 163 . 1 1 63 63 ASP H H 1 9.500 0.014 . 1 . . . . 57 ASP HN . 18461 1 164 . 1 1 63 63 ASP CA C 13 53.489 0.069 . 1 . . . . 57 ASP CA . 18461 1 165 . 1 1 63 63 ASP N N 15 130.740 0.038 . 1 . . . . 57 ASP N . 18461 1 166 . 1 1 64 64 THR H H 1 6.848 0.004 . 1 . . . . 58 THR HN . 18461 1 167 . 1 1 64 64 THR CA C 13 60.138 0.034 . 1 . . . . 58 THR CA . 18461 1 168 . 1 1 64 64 THR N N 15 112.651 0.061 . 1 . . . . 58 THR N . 18461 1 169 . 1 1 65 65 ALA H H 1 7.595 0.025 . 1 . . . . 59 ALA HN . 18461 1 170 . 1 1 65 65 ALA CA C 13 52.364 0.086 . 1 . . . . 59 ALA CA . 18461 1 171 . 1 1 65 65 ALA N N 15 121.334 0.096 . 1 . . . . 59 ALA N . 18461 1 172 . 1 1 66 66 GLY H H 1 9.502 0.006 . 1 . . . . 60 GLY HN . 18461 1 173 . 1 1 66 66 GLY CA C 13 45.780 0.000 . 1 . . . . 60 GLY CA . 18461 1 174 . 1 1 66 66 GLY N N 15 116.005 0.048 . 1 . . . . 60 GLY N . 18461 1 175 . 1 1 67 67 GLN H H 1 8.411 0.008 . 1 . . . . 61 GLN HN . 18461 1 176 . 1 1 67 67 GLN CA C 13 56.661 0.066 . 1 . . . . 61 GLN CA . 18461 1 177 . 1 1 67 67 GLN N N 15 121.490 0.035 . 1 . . . . 61 GLN N . 18461 1 178 . 1 1 68 68 GLU H H 1 8.919 0.007 . 1 . . . . 62 GLU HN . 18461 1 179 . 1 1 68 68 GLU CA C 13 58.700 0.065 . 1 . . . . 62 GLU CA . 18461 1 180 . 1 1 68 68 GLU N N 15 126.125 0.091 . 1 . . . . 62 GLU N . 18461 1 181 . 1 1 69 69 GLU H H 1 9.136 0.006 . 1 . . . . 63 GLU HN . 18461 1 182 . 1 1 69 69 GLU N N 15 121.768 0.081 . 1 . . . . 63 GLU N . 18461 1 183 . 1 1 70 70 TYR H H 1 7.743 0.000 . 1 . . . . 64 TYR HN . 18461 1 184 . 1 1 70 70 TYR CA C 13 57.418 0.078 . 1 . . . . 64 TYR CA . 18461 1 185 . 1 1 70 70 TYR N N 15 119.251 0.098 . 1 . . . . 64 TYR N . 18461 1 186 . 1 1 71 71 SER H H 1 7.992 0.007 . 1 . . . . 65 SER HN . 18461 1 187 . 1 1 71 71 SER CA C 13 60.920 0.026 . 1 . . . . 65 SER CA . 18461 1 188 . 1 1 71 71 SER N N 15 119.075 0.129 . 1 . . . . 65 SER N . 18461 1 189 . 1 1 72 72 ALA H H 1 8.713 0.003 . 1 . . . . 66 ALA HN . 18461 1 190 . 1 1 72 72 ALA CA C 13 54.400 0.101 . 1 . . . . 66 ALA CA . 18461 1 191 . 1 1 72 72 ALA N N 15 126.106 0.074 . 1 . . . . 66 ALA N . 18461 1 192 . 1 1 73 73 MET H H 1 7.905 0.004 . 1 . . . . 67 MET HN . 18461 1 193 . 1 1 73 73 MET CA C 13 56.841 0.054 . 1 . . . . 67 MET CA . 18461 1 194 . 1 1 73 73 MET N N 15 117.330 0.042 . 1 . . . . 67 MET N . 18461 1 195 . 1 1 74 74 ARG H H 1 7.695 0.003 . 1 . . . . 68 ARG HN . 18461 1 196 . 1 1 74 74 ARG CA C 13 58.843 0.108 . 1 . . . . 68 ARG CA . 18461 1 197 . 1 1 74 74 ARG N N 15 120.157 0.263 . 1 . . . . 68 ARG N . 18461 1 198 . 1 1 75 75 ASP H H 1 8.076 0.004 . 1 . . . . 69 ASP HN . 18461 1 199 . 1 1 75 75 ASP CA C 13 57.668 0.009 . 1 . . . . 69 ASP CA . 18461 1 200 . 1 1 75 75 ASP N N 15 118.962 0.070 . 1 . . . . 69 ASP N . 18461 1 201 . 1 1 76 76 GLN H H 1 7.677 0.001 . 1 . . . . 70 GLN HN . 18461 1 202 . 1 1 76 76 GLN CA C 13 58.818 0.000 . 1 . . . . 70 GLN CA . 18461 1 203 . 1 1 76 76 GLN N N 15 117.236 0.120 . 1 . . . . 70 GLN N . 18461 1 204 . 1 1 77 77 TYR H H 1 7.625 0.002 . 1 . . . . 71 TYR HN . 18461 1 205 . 1 1 77 77 TYR CA C 13 58.502 0.000 . 1 . . . . 71 TYR CA . 18461 1 206 . 1 1 77 77 TYR N N 15 117.420 0.009 . 1 . . . . 71 TYR N . 18461 1 207 . 1 1 78 78 MET H H 1 8.363 0.002 . 1 . . . . 72 MET HN . 18461 1 208 . 1 1 78 78 MET CA C 13 59.114 0.046 . 1 . . . . 72 MET CA . 18461 1 209 . 1 1 78 78 MET N N 15 122.385 0.047 . 1 . . . . 72 MET N . 18461 1 210 . 1 1 79 79 ARG H H 1 7.805 0.016 . 1 . . . . 73 ARG HN . 18461 1 211 . 1 1 79 79 ARG CA C 13 59.579 0.004 . 1 . . . . 73 ARG CA . 18461 1 212 . 1 1 79 79 ARG N N 15 118.215 0.142 . 1 . . . . 73 ARG N . 18461 1 213 . 1 1 80 80 THR H H 1 7.464 0.004 . 1 . . . . 74 THR HN . 18461 1 214 . 1 1 80 80 THR CA C 13 62.570 0.017 . 1 . . . . 74 THR CA . 18461 1 215 . 1 1 80 80 THR N N 15 108.133 0.105 . 1 . . . . 74 THR N . 18461 1 216 . 1 1 81 81 GLY H H 1 7.720 0.001 . 1 . . . . 75 GLY HN . 18461 1 217 . 1 1 81 81 GLY CA C 13 46.424 0.031 . 1 . . . . 75 GLY CA . 18461 1 218 . 1 1 81 81 GLY N N 15 108.531 0.170 . 1 . . . . 75 GLY N . 18461 1 219 . 1 1 82 82 GLU H H 1 8.798 0.009 . 1 . . . . 76 GLU HN . 18461 1 220 . 1 1 82 82 GLU CA C 13 56.468 0.142 . 1 . . . . 76 GLU CA . 18461 1 221 . 1 1 82 82 GLU N N 15 122.178 0.107 . 1 . . . . 76 GLU N . 18461 1 222 . 1 1 83 83 GLY H H 1 7.235 0.020 . 1 . . . . 77 GLY HN . 18461 1 223 . 1 1 83 83 GLY CA C 13 45.429 0.076 . 1 . . . . 77 GLY CA . 18461 1 224 . 1 1 83 83 GLY N N 15 102.632 0.119 . 1 . . . . 77 GLY N . 18461 1 225 . 1 1 84 84 PHE H H 1 8.245 0.002 . 1 . . . . 78 PHE HN . 18461 1 226 . 1 1 84 84 PHE CA C 13 56.893 0.109 . 1 . . . . 78 PHE CA . 18461 1 227 . 1 1 84 84 PHE N N 15 122.441 0.140 . 1 . . . . 78 PHE N . 18461 1 228 . 1 1 85 85 LEU H H 1 9.260 0.016 . 1 . . . . 79 LEU HN . 18461 1 229 . 1 1 85 85 LEU CA C 13 54.031 0.127 . 1 . . . . 79 LEU CA . 18461 1 230 . 1 1 85 85 LEU N N 15 128.124 0.072 . 1 . . . . 79 LEU N . 18461 1 231 . 1 1 86 86 CYS H H 1 8.763 0.001 . 1 . . . . 80 CYS HN . 18461 1 232 . 1 1 86 86 CYS CA C 13 57.669 0.019 . 1 . . . . 80 CYS CA . 18461 1 233 . 1 1 86 86 CYS N N 15 125.795 0.173 . 1 . . . . 80 CYS N . 18461 1 234 . 1 1 87 87 VAL H H 1 9.129 0.001 . 1 . . . . 81 VAL HN . 18461 1 235 . 1 1 87 87 VAL CA C 13 61.310 0.141 . 1 . . . . 81 VAL CA . 18461 1 236 . 1 1 87 87 VAL N N 15 127.259 0.094 . 1 . . . . 81 VAL N . 18461 1 237 . 1 1 88 88 PHE H H 1 9.272 0.007 . 1 . . . . 82 PHE HN . 18461 1 238 . 1 1 88 88 PHE CA C 13 55.336 0.011 . 1 . . . . 82 PHE CA . 18461 1 239 . 1 1 88 88 PHE N N 15 124.992 0.098 . 1 . . . . 82 PHE N . 18461 1 240 . 1 1 89 89 ALA H H 1 8.688 0.009 . 1 . . . . 83 ALA HN . 18461 1 241 . 1 1 89 89 ALA CA C 13 49.670 0.011 . 1 . . . . 83 ALA CA . 18461 1 242 . 1 1 89 89 ALA N N 15 122.112 0.266 . 1 . . . . 83 ALA N . 18461 1 243 . 1 1 90 90 ILE H H 1 8.525 0.004 . 1 . . . . 84 ILE HN . 18461 1 244 . 1 1 90 90 ILE CA C 13 63.300 0.045 . 1 . . . . 84 ILE CA . 18461 1 245 . 1 1 90 90 ILE N N 15 114.661 0.110 . 1 . . . . 84 ILE N . 18461 1 246 . 1 1 91 91 ASN H H 1 7.898 0.002 . 1 . . . . 85 ASN HN . 18461 1 247 . 1 1 91 91 ASN CA C 13 52.019 0.094 . 1 . . . . 85 ASN CA . 18461 1 248 . 1 1 91 91 ASN N N 15 118.132 0.032 . 1 . . . . 85 ASN N . 18461 1 249 . 1 1 92 92 ASN H H 1 7.933 0.002 . 1 . . . . 86 ASN HN . 18461 1 250 . 1 1 92 92 ASN CA C 13 51.803 0.000 . 1 . . . . 86 ASN CA . 18461 1 251 . 1 1 92 92 ASN N N 15 120.412 0.006 . 1 . . . . 86 ASN N . 18461 1 252 . 1 1 93 93 THR H H 1 9.271 0.000 . 1 . . . . 87 THR HN . 18461 1 253 . 1 1 93 93 THR CA C 13 66.708 0.000 . 1 . . . . 87 THR CA . 18461 1 254 . 1 1 93 93 THR N N 15 125.587 0.000 . 1 . . . . 87 THR N . 18461 1 255 . 1 1 94 94 LYS H H 1 8.458 0.006 . 1 . . . . 88 LYS HN . 18461 1 256 . 1 1 94 94 LYS CA C 13 59.334 0.087 . 1 . . . . 88 LYS CA . 18461 1 257 . 1 1 94 94 LYS N N 15 125.329 0.059 . 1 . . . . 88 LYS N . 18461 1 258 . 1 1 95 95 SER H H 1 8.006 0.003 . 1 . . . . 89 SER HN . 18461 1 259 . 1 1 95 95 SER CA C 13 61.615 0.000 . 1 . . . . 89 SER CA . 18461 1 260 . 1 1 95 95 SER N N 15 115.547 0.233 . 1 . . . . 89 SER N . 18461 1 261 . 1 1 96 96 PHE H H 1 7.447 0.004 . 1 . . . . 90 PHE HN . 18461 1 262 . 1 1 96 96 PHE CA C 13 59.624 0.193 . 1 . . . . 90 PHE CA . 18461 1 263 . 1 1 96 96 PHE N N 15 126.142 0.012 . 1 . . . . 90 PHE N . 18461 1 264 . 1 1 97 97 GLU H H 1 8.398 0.016 . 1 . . . . 91 GLU HN . 18461 1 265 . 1 1 97 97 GLU CA C 13 59.102 0.000 . 1 . . . . 91 GLU CA . 18461 1 266 . 1 1 97 97 GLU N N 15 122.769 0.081 . 1 . . . . 91 GLU N . 18461 1 267 . 1 1 98 98 ASP H H 1 8.601 0.006 . 1 . . . . 92 ASP HN . 18461 1 268 . 1 1 98 98 ASP CA C 13 56.340 0.044 . 1 . . . . 92 ASP CA . 18461 1 269 . 1 1 98 98 ASP N N 15 119.097 0.016 . 1 . . . . 92 ASP N . 18461 1 270 . 1 1 99 99 ILE H H 1 7.596 0.005 . 1 . . . . 93 ILE HN . 18461 1 271 . 1 1 99 99 ILE CA C 13 62.100 0.022 . 1 . . . . 93 ILE CA . 18461 1 272 . 1 1 99 99 ILE N N 15 121.598 0.067 . 1 . . . . 93 ILE N . 18461 1 273 . 1 1 100 100 HIS H H 1 7.746 0.001 . 1 . . . . 94 HIS HN . 18461 1 274 . 1 1 100 100 HIS CA C 13 59.892 0.085 . 1 . . . . 94 HIS CA . 18461 1 275 . 1 1 100 100 HIS N N 15 118.606 0.117 . 1 . . . . 94 HIS N . 18461 1 276 . 1 1 101 101 GLN H H 1 7.427 0.003 . 1 . . . . 95 GLN HN . 18461 1 277 . 1 1 101 101 GLN CA C 13 58.382 0.024 . 1 . . . . 95 GLN CA . 18461 1 278 . 1 1 101 101 GLN N N 15 117.455 0.045 . 1 . . . . 95 GLN N . 18461 1 279 . 1 1 102 102 TYR H H 1 7.642 0.006 . 1 . . . . 96 TYR HN . 18461 1 280 . 1 1 102 102 TYR CA C 13 63.128 0.000 . 1 . . . . 96 TYR CA . 18461 1 281 . 1 1 102 102 TYR N N 15 120.251 0.083 . 1 . . . . 96 TYR N . 18461 1 282 . 1 1 103 103 ARG H H 1 8.416 0.005 . 1 . . . . 97 ARG HN . 18461 1 283 . 1 1 103 103 ARG CA C 13 59.990 0.067 . 1 . . . . 97 ARG CA . 18461 1 284 . 1 1 103 103 ARG N N 15 119.948 0.023 . 1 . . . . 97 ARG N . 18461 1 285 . 1 1 104 104 GLU H H 1 8.007 0.004 . 1 . . . . 98 GLU HN . 18461 1 286 . 1 1 104 104 GLU CA C 13 58.974 0.072 . 1 . . . . 98 GLU CA . 18461 1 287 . 1 1 104 104 GLU N N 15 118.060 0.070 . 1 . . . . 98 GLU N . 18461 1 288 . 1 1 105 105 GLN H H 1 7.903 0.004 . 1 . . . . 99 GLN HN . 18461 1 289 . 1 1 105 105 GLN CA C 13 59.157 0.006 . 1 . . . . 99 GLN CA . 18461 1 290 . 1 1 105 105 GLN N N 15 121.823 0.083 . 1 . . . . 99 GLN N . 18461 1 291 . 1 1 106 106 ILE H H 1 8.083 0.000 . 1 . . . . 100 ILE HN . 18461 1 292 . 1 1 106 106 ILE CA C 13 66.005 0.042 . 1 . . . . 100 ILE CA . 18461 1 293 . 1 1 106 106 ILE N N 15 121.317 0.047 . 1 . . . . 100 ILE N . 18461 1 294 . 1 1 107 107 LYS H H 1 7.805 0.004 . 1 . . . . 101 LYS HN . 18461 1 295 . 1 1 107 107 LYS CA C 13 59.573 0.002 . 1 . . . . 101 LYS CA . 18461 1 296 . 1 1 107 107 LYS N N 15 118.153 0.032 . 1 . . . . 101 LYS N . 18461 1 297 . 1 1 108 108 ARG H H 1 7.753 0.003 . 1 . . . . 102 ARG HN . 18461 1 298 . 1 1 108 108 ARG CA C 13 59.203 0.064 . 1 . . . . 102 ARG CA . 18461 1 299 . 1 1 108 108 ARG N N 15 119.788 0.262 . 1 . . . . 102 ARG N . 18461 1 300 . 1 1 109 109 VAL H H 1 8.428 0.012 . 1 . . . . 103 VAL HN . 18461 1 301 . 1 1 109 109 VAL CA C 13 65.517 0.131 . 1 . . . . 103 VAL CA . 18461 1 302 . 1 1 109 109 VAL N N 15 119.549 0.130 . 1 . . . . 103 VAL N . 18461 1 303 . 1 1 110 110 LYS H H 1 8.166 0.006 . 1 . . . . 104 LYS HN . 18461 1 304 . 1 1 110 110 LYS CA C 13 55.020 0.020 . 1 . . . . 104 LYS CA . 18461 1 305 . 1 1 110 110 LYS N N 15 117.298 0.026 . 1 . . . . 104 LYS N . 18461 1 306 . 1 1 111 111 ASP H H 1 7.938 0.002 . 1 . . . . 105 ASP HN . 18461 1 307 . 1 1 111 111 ASP CA C 13 54.454 0.006 . 1 . . . . 105 ASP CA . 18461 1 308 . 1 1 111 111 ASP N N 15 122.165 0.089 . 1 . . . . 105 ASP N . 18461 1 309 . 1 1 112 112 SER H H 1 7.555 0.004 . 1 . . . . 106 SER HN . 18461 1 310 . 1 1 112 112 SER CA C 13 56.774 0.040 . 1 . . . . 106 SER CA . 18461 1 311 . 1 1 112 112 SER N N 15 110.342 0.030 . 1 . . . . 106 SER N . 18461 1 312 . 1 1 113 113 ASP H H 1 8.395 0.006 . 1 . . . . 107 ASP HN . 18461 1 313 . 1 1 113 113 ASP CA C 13 54.331 0.052 . 1 . . . . 107 ASP CA . 18461 1 314 . 1 1 113 113 ASP N N 15 123.525 0.000 . 1 . . . . 107 ASP N . 18461 1 315 . 1 1 114 114 ASP H H 1 8.427 0.003 . 1 . . . . 108 ASP HN . 18461 1 316 . 1 1 114 114 ASP CA C 13 53.048 0.004 . 1 . . . . 108 ASP CA . 18461 1 317 . 1 1 114 114 ASP N N 15 122.282 0.010 . 1 . . . . 108 ASP N . 18461 1 318 . 1 1 115 115 VAL H H 1 7.649 0.001 . 1 . . . . 109 VAL HN . 18461 1 319 . 1 1 115 115 VAL CA C 13 59.131 0.000 . 1 . . . . 109 VAL CA . 18461 1 320 . 1 1 115 115 VAL N N 15 123.666 0.024 . 1 . . . . 109 VAL N . 18461 1 321 . 1 1 116 116 PRO CA C 13 63.866 0.000 . 1 . . . . 110 PRO CA . 18461 1 322 . 1 1 117 117 MET H H 1 8.310 0.005 . 1 . . . . 111 MET HN . 18461 1 323 . 1 1 117 117 MET CA C 13 54.933 0.000 . 1 . . . . 111 MET CA . 18461 1 324 . 1 1 117 117 MET N N 15 124.340 0.068 . 1 . . . . 111 MET N . 18461 1 325 . 1 1 118 118 VAL H H 1 8.149 0.000 . 1 . . . . 112 VAL HN . 18461 1 326 . 1 1 118 118 VAL CA C 13 61.012 0.014 . 1 . . . . 112 VAL CA . 18461 1 327 . 1 1 118 118 VAL N N 15 119.802 0.038 . 1 . . . . 112 VAL N . 18461 1 328 . 1 1 119 119 LEU H H 1 8.914 0.007 . 1 . . . . 113 LEU HN . 18461 1 329 . 1 1 119 119 LEU CA C 13 53.877 0.031 . 1 . . . . 113 LEU CA . 18461 1 330 . 1 1 119 119 LEU N N 15 130.172 0.150 . 1 . . . . 113 LEU N . 18461 1 331 . 1 1 120 120 VAL H H 1 9.229 0.004 . 1 . . . . 114 VAL HN . 18461 1 332 . 1 1 120 120 VAL CA C 13 60.094 0.010 . 1 . . . . 114 VAL CA . 18461 1 333 . 1 1 120 120 VAL N N 15 129.484 0.127 . 1 . . . . 114 VAL N . 18461 1 334 . 1 1 121 121 GLY H H 1 8.059 0.002 . 1 . . . . 115 GLY HN . 18461 1 335 . 1 1 121 121 GLY CA C 13 45.271 0.000 . 1 . . . . 115 GLY CA . 18461 1 336 . 1 1 121 121 GLY N N 15 115.904 0.205 . 1 . . . . 115 GLY N . 18461 1 337 . 1 1 122 122 ASN H H 1 8.733 0.006 . 1 . . . . 116 ASN HN . 18461 1 338 . 1 1 122 122 ASN CA C 13 51.398 0.000 . 1 . . . . 116 ASN CA . 18461 1 339 . 1 1 122 122 ASN N N 15 122.414 0.035 . 1 . . . . 116 ASN N . 18461 1 340 . 1 1 123 123 LYS H H 1 7.344 0.005 . 1 . . . . 117 LYS HN . 18461 1 341 . 1 1 123 123 LYS CA C 13 57.274 0.082 . 1 . . . . 117 LYS CA . 18461 1 342 . 1 1 123 123 LYS N N 15 113.325 0.023 . 1 . . . . 117 LYS N . 18461 1 343 . 1 1 124 124 CYS H H 1 8.696 0.006 . 1 . . . . 118 CYS HN . 18461 1 344 . 1 1 124 124 CYS CA C 13 60.962 0.000 . 1 . . . . 118 CYS CA . 18461 1 345 . 1 1 124 124 CYS N N 15 115.196 0.047 . 1 . . . . 118 CYS N . 18461 1 346 . 1 1 125 125 ASP H H 1 8.575 0.006 . 1 . . . . 119 ASP HN . 18461 1 347 . 1 1 125 125 ASP CA C 13 53.950 0.002 . 1 . . . . 119 ASP CA . 18461 1 348 . 1 1 125 125 ASP N N 15 118.325 0.099 . 1 . . . . 119 ASP N . 18461 1 349 . 1 1 126 126 LEU H H 1 7.792 0.004 . 1 . . . . 120 LEU HN . 18461 1 350 . 1 1 126 126 LEU CA C 13 54.648 0.079 . 1 . . . . 120 LEU CA . 18461 1 351 . 1 1 126 126 LEU N N 15 122.072 0.085 . 1 . . . . 120 LEU N . 18461 1 352 . 1 1 127 127 ALA H H 1 8.156 0.005 . 1 . . . . 121 ALA HN . 18461 1 353 . 1 1 127 127 ALA CA C 13 53.019 0.011 . 1 . . . . 121 ALA CA . 18461 1 354 . 1 1 127 127 ALA N N 15 123.996 0.052 . 1 . . . . 121 ALA N . 18461 1 355 . 1 1 128 128 ALA H H 1 7.703 0.002 . 1 . . . . 122 ALA HN . 18461 1 356 . 1 1 128 128 ALA CA C 13 51.182 0.003 . 1 . . . . 122 ALA CA . 18461 1 357 . 1 1 128 128 ALA N N 15 123.006 0.052 . 1 . . . . 122 ALA N . 18461 1 358 . 1 1 129 129 ARG H H 1 7.990 0.003 . 1 . . . . 123 ARG HN . 18461 1 359 . 1 1 129 129 ARG CA C 13 55.677 0.000 . 1 . . . . 123 ARG CA . 18461 1 360 . 1 1 129 129 ARG N N 15 121.475 0.022 . 1 . . . . 123 ARG N . 18461 1 361 . 1 1 130 130 THR H H 1 9.153 0.000 . 1 . . . . 124 THR HN . 18461 1 362 . 1 1 130 130 THR CA C 13 61.684 0.000 . 1 . . . . 124 THR CA . 18461 1 363 . 1 1 130 130 THR N N 15 115.855 0.000 . 1 . . . . 124 THR N . 18461 1 364 . 1 1 131 131 VAL H H 1 7.640 0.003 . 1 . . . . 125 VAL HN . 18461 1 365 . 1 1 131 131 VAL CA C 13 61.442 0.040 . 1 . . . . 125 VAL CA . 18461 1 366 . 1 1 131 131 VAL N N 15 125.744 0.044 . 1 . . . . 125 VAL N . 18461 1 367 . 1 1 132 132 GLU H H 1 8.743 0.001 . 1 . . . . 126 GLU HN . 18461 1 368 . 1 1 132 132 GLU CA C 13 56.233 0.014 . 1 . . . . 126 GLU CA . 18461 1 369 . 1 1 132 132 GLU N N 15 128.311 0.057 . 1 . . . . 126 GLU N . 18461 1 370 . 1 1 133 133 SER H H 1 9.426 0.005 . 1 . . . . 127 SER HN . 18461 1 371 . 1 1 133 133 SER CA C 13 62.850 0.028 . 1 . . . . 127 SER CA . 18461 1 372 . 1 1 133 133 SER N N 15 122.918 0.045 . 1 . . . . 127 SER N . 18461 1 373 . 1 1 134 134 ARG H H 1 8.678 0.002 . 1 . . . . 128 ARG HN . 18461 1 374 . 1 1 134 134 ARG CA C 13 58.728 0.014 . 1 . . . . 128 ARG CA . 18461 1 375 . 1 1 134 134 ARG N N 15 119.078 0.039 . 1 . . . . 128 ARG N . 18461 1 376 . 1 1 135 135 GLN H H 1 6.798 0.004 . 1 . . . . 129 GLN HN . 18461 1 377 . 1 1 135 135 GLN CA C 13 58.468 0.002 . 1 . . . . 129 GLN CA . 18461 1 378 . 1 1 135 135 GLN N N 15 117.957 0.090 . 1 . . . . 129 GLN N . 18461 1 379 . 1 1 136 136 ALA H H 1 7.020 0.002 . 1 . . . . 130 ALA HN . 18461 1 380 . 1 1 136 136 ALA CA C 13 54.844 0.035 . 1 . . . . 130 ALA CA . 18461 1 381 . 1 1 136 136 ALA N N 15 124.658 0.039 . 1 . . . . 130 ALA N . 18461 1 382 . 1 1 137 137 GLN H H 1 8.610 0.006 . 1 . . . . 131 GLN HN . 18461 1 383 . 1 1 137 137 GLN CA C 13 58.912 0.031 . 1 . . . . 131 GLN CA . 18461 1 384 . 1 1 137 137 GLN N N 15 119.218 0.054 . 1 . . . . 131 GLN N . 18461 1 385 . 1 1 138 138 ASP H H 1 8.237 0.001 . 1 . . . . 132 ASP HN . 18461 1 386 . 1 1 138 138 ASP CA C 13 57.213 0.013 . 1 . . . . 132 ASP CA . 18461 1 387 . 1 1 138 138 ASP N N 15 121.337 0.048 . 1 . . . . 132 ASP N . 18461 1 388 . 1 1 139 139 LEU H H 1 7.480 0.004 . 1 . . . . 133 LEU HN . 18461 1 389 . 1 1 139 139 LEU CA C 13 57.615 0.017 . 1 . . . . 133 LEU CA . 18461 1 390 . 1 1 139 139 LEU N N 15 124.742 0.028 . 1 . . . . 133 LEU N . 18461 1 391 . 1 1 140 140 ALA H H 1 8.414 0.004 . 1 . . . . 134 ALA HN . 18461 1 392 . 1 1 140 140 ALA CA C 13 55.818 0.044 . 1 . . . . 134 ALA CA . 18461 1 393 . 1 1 140 140 ALA N N 15 122.886 0.022 . 1 . . . . 134 ALA N . 18461 1 394 . 1 1 141 141 ARG H H 1 8.466 0.007 . 1 . . . . 135 ARG HN . 18461 1 395 . 1 1 141 141 ARG CA C 13 59.324 0.020 . 1 . . . . 135 ARG CA . 18461 1 396 . 1 1 141 141 ARG N N 15 119.630 0.050 . 1 . . . . 135 ARG N . 18461 1 397 . 1 1 142 142 SER H H 1 7.958 0.003 . 1 . . . . 136 SER HN . 18461 1 398 . 1 1 142 142 SER CA C 13 61.459 0.042 . 1 . . . . 136 SER CA . 18461 1 399 . 1 1 142 142 SER N N 15 118.986 0.066 . 1 . . . . 136 SER N . 18461 1 400 . 1 1 143 143 TYR H H 1 7.692 0.001 . 1 . . . . 137 TYR HN . 18461 1 401 . 1 1 143 143 TYR CA C 13 54.605 0.006 . 1 . . . . 137 TYR CA . 18461 1 402 . 1 1 143 143 TYR N N 15 121.420 0.051 . 1 . . . . 137 TYR N . 18461 1 403 . 1 1 144 144 GLY H H 1 8.340 0.007 . 1 . . . . 138 GLY HN . 18461 1 404 . 1 1 144 144 GLY CA C 13 46.416 0.036 . 1 . . . . 138 GLY CA . 18461 1 405 . 1 1 144 144 GLY N N 15 112.232 0.084 . 1 . . . . 138 GLY N . 18461 1 406 . 1 1 145 145 ILE H H 1 8.066 0.003 . 1 . . . . 139 ILE HN . 18461 1 407 . 1 1 145 145 ILE CA C 13 58.467 0.000 . 1 . . . . 139 ILE CA . 18461 1 408 . 1 1 145 145 ILE N N 15 114.226 0.023 . 1 . . . . 139 ILE N . 18461 1 409 . 1 1 146 146 PRO CA C 13 62.403 0.000 . 1 . . . . 140 PRO CA . 18461 1 410 . 1 1 147 147 TYR H H 1 8.247 0.004 . 1 . . . . 141 TYR HN . 18461 1 411 . 1 1 147 147 TYR CA C 13 54.860 0.002 . 1 . . . . 141 TYR CA . 18461 1 412 . 1 1 147 147 TYR N N 15 121.180 0.111 . 1 . . . . 141 TYR N . 18461 1 413 . 1 1 148 148 ILE H H 1 8.522 0.002 . 1 . . . . 142 ILE HN . 18461 1 414 . 1 1 148 148 ILE CA C 13 59.215 0.024 . 1 . . . . 142 ILE CA . 18461 1 415 . 1 1 148 148 ILE N N 15 131.299 0.140 . 1 . . . . 142 ILE N . 18461 1 416 . 1 1 149 149 GLU H H 1 7.836 0.003 . 1 . . . . 143 GLU HN . 18461 1 417 . 1 1 149 149 GLU CA C 13 55.717 0.030 . 1 . . . . 143 GLU CA . 18461 1 418 . 1 1 149 149 GLU N N 15 126.099 0.053 . 1 . . . . 143 GLU N . 18461 1 419 . 1 1 150 150 THR H H 1 8.837 0.006 . 1 . . . . 144 THR HN . 18461 1 420 . 1 1 150 150 THR CA C 13 59.483 0.042 . 1 . . . . 144 THR CA . 18461 1 421 . 1 1 150 150 THR N N 15 114.073 0.112 . 1 . . . . 144 THR N . 18461 1 422 . 1 1 151 151 SER H H 1 8.743 0.006 . 1 . . . . 145 SER HN . 18461 1 423 . 1 1 151 151 SER CA C 13 57.391 0.033 . 1 . . . . 145 SER CA . 18461 1 424 . 1 1 151 151 SER N N 15 113.500 0.068 . 1 . . . . 145 SER N . 18461 1 425 . 1 1 152 152 ALA H H 1 9.162 0.006 . 1 . . . . 146 ALA HN . 18461 1 426 . 1 1 152 152 ALA CA C 13 54.397 0.087 . 1 . . . . 146 ALA CA . 18461 1 427 . 1 1 152 152 ALA N N 15 133.327 0.080 . 1 . . . . 146 ALA N . 18461 1 428 . 1 1 153 153 LYS H H 1 7.031 0.006 . 1 . . . . 147 LYS HN . 18461 1 429 . 1 1 153 153 LYS CA C 13 58.215 0.054 . 1 . . . . 147 LYS CA . 18461 1 430 . 1 1 153 153 LYS N N 15 117.634 0.062 . 1 . . . . 147 LYS N . 18461 1 431 . 1 1 154 154 THR H H 1 7.613 0.003 . 1 . . . . 148 THR HN . 18461 1 432 . 1 1 154 154 THR CA C 13 61.304 0.052 . 1 . . . . 148 THR CA . 18461 1 433 . 1 1 154 154 THR N N 15 107.247 0.138 . 1 . . . . 148 THR N . 18461 1 434 . 1 1 155 155 ARG H H 1 7.742 0.005 . 1 . . . . 149 ARG HN . 18461 1 435 . 1 1 155 155 ARG CA C 13 59.313 0.125 . 1 . . . . 149 ARG CA . 18461 1 436 . 1 1 155 155 ARG N N 15 120.000 0.512 . 1 . . . . 149 ARG N . 18461 1 437 . 1 1 156 156 GLN H H 1 7.832 0.002 . 1 . . . . 150 GLN HN . 18461 1 438 . 1 1 156 156 GLN CA C 13 57.210 0.015 . 1 . . . . 150 GLN CA . 18461 1 439 . 1 1 156 156 GLN N N 15 125.338 0.060 . 1 . . . . 150 GLN N . 18461 1 440 . 1 1 157 157 GLY H H 1 8.945 0.001 . 1 . . . . 151 GLY HN . 18461 1 441 . 1 1 157 157 GLY CA C 13 46.829 0.061 . 1 . . . . 151 GLY CA . 18461 1 442 . 1 1 157 157 GLY N N 15 116.351 0.039 . 1 . . . . 151 GLY N . 18461 1 443 . 1 1 158 158 VAL H H 1 7.067 0.002 . 1 . . . . 152 VAL HN . 18461 1 444 . 1 1 158 158 VAL CA C 13 68.252 0.076 . 1 . . . . 152 VAL CA . 18461 1 445 . 1 1 158 158 VAL N N 15 121.823 0.265 . 1 . . . . 152 VAL N . 18461 1 446 . 1 1 159 159 GLU H H 1 8.183 0.004 . 1 . . . . 153 GLU HN . 18461 1 447 . 1 1 159 159 GLU CA C 13 60.404 0.030 . 1 . . . . 153 GLU CA . 18461 1 448 . 1 1 159 159 GLU N N 15 117.913 0.042 . 1 . . . . 153 GLU N . 18461 1 449 . 1 1 160 160 ASP H H 1 8.147 0.005 . 1 . . . . 154 ASP HN . 18461 1 450 . 1 1 160 160 ASP CA C 13 57.178 0.019 . 1 . . . . 154 ASP CA . 18461 1 451 . 1 1 160 160 ASP N N 15 117.433 0.090 . 1 . . . . 154 ASP N . 18461 1 452 . 1 1 161 161 ALA H H 1 8.593 0.010 . 1 . . . . 155 ALA HN . 18461 1 453 . 1 1 161 161 ALA CA C 13 56.248 0.054 . 1 . . . . 155 ALA CA . 18461 1 454 . 1 1 161 161 ALA N N 15 125.240 0.040 . 1 . . . . 155 ALA N . 18461 1 455 . 1 1 162 162 PHE H H 1 7.212 0.002 . 1 . . . . 156 PHE HN . 18461 1 456 . 1 1 162 162 PHE CA C 13 62.942 0.050 . 1 . . . . 156 PHE CA . 18461 1 457 . 1 1 162 162 PHE N N 15 113.807 0.069 . 1 . . . . 156 PHE N . 18461 1 458 . 1 1 163 163 TYR H H 1 9.601 0.005 . 1 . . . . 157 TYR HN . 18461 1 459 . 1 1 163 163 TYR CA C 13 58.407 0.033 . 1 . . . . 157 TYR CA . 18461 1 460 . 1 1 163 163 TYR N N 15 120.265 0.031 . 1 . . . . 157 TYR N . 18461 1 461 . 1 1 164 164 THR H H 1 8.541 0.008 . 1 . . . . 158 THR HN . 18461 1 462 . 1 1 164 164 THR CA C 13 67.622 0.035 . 1 . . . . 158 THR CA . 18461 1 463 . 1 1 164 164 THR N N 15 118.168 0.180 . 1 . . . . 158 THR N . 18461 1 464 . 1 1 165 165 LEU H H 1 7.237 0.009 . 1 . . . . 159 LEU HN . 18461 1 465 . 1 1 165 165 LEU CA C 13 57.959 0.061 . 1 . . . . 159 LEU CA . 18461 1 466 . 1 1 165 165 LEU N N 15 122.821 0.081 . 1 . . . . 159 LEU N . 18461 1 467 . 1 1 166 166 VAL H H 1 7.536 0.003 . 1 . . . . 160 VAL HN . 18461 1 468 . 1 1 166 166 VAL CA C 13 67.529 0.025 . 1 . . . . 160 VAL CA . 18461 1 469 . 1 1 166 166 VAL N N 15 120.243 0.103 . 1 . . . . 160 VAL N . 18461 1 470 . 1 1 167 167 ARG H H 1 8.094 0.004 . 1 . . . . 161 ARG HN . 18461 1 471 . 1 1 167 167 ARG CA C 13 60.962 0.058 . 1 . . . . 161 ARG CA . 18461 1 472 . 1 1 167 167 ARG N N 15 120.209 0.037 . 1 . . . . 161 ARG N . 18461 1 473 . 1 1 168 168 GLU H H 1 8.218 0.002 . 1 . . . . 162 GLU HN . 18461 1 474 . 1 1 168 168 GLU CA C 13 58.692 0.016 . 1 . . . . 162 GLU CA . 18461 1 475 . 1 1 168 168 GLU N N 15 119.421 0.098 . 1 . . . . 162 GLU N . 18461 1 476 . 1 1 169 169 ILE H H 1 8.185 0.003 . 1 . . . . 163 ILE HN . 18461 1 477 . 1 1 169 169 ILE CA C 13 65.931 0.064 . 1 . . . . 163 ILE CA . 18461 1 478 . 1 1 169 169 ILE N N 15 123.198 0.142 . 1 . . . . 163 ILE N . 18461 1 479 . 1 1 170 170 ARG H H 1 8.461 0.005 . 1 . . . . 164 ARG HN . 18461 1 480 . 1 1 170 170 ARG CA C 13 59.148 0.095 . 1 . . . . 164 ARG CA . 18461 1 481 . 1 1 170 170 ARG N N 15 119.867 0.105 . 1 . . . . 164 ARG N . 18461 1 482 . 1 1 171 171 GLN H H 1 7.666 0.002 . 1 . . . . 165 GLN HN . 18461 1 483 . 1 1 171 171 GLN CA C 13 55.916 0.011 . 1 . . . . 165 GLN CA . 18461 1 484 . 1 1 171 171 GLN N N 15 116.584 0.012 . 1 . . . . 165 GLN N . 18461 1 485 . 1 1 172 172 HIS H H 1 7.711 0.002 . 1 . . . . 166 HIS HN . 18461 1 486 . 1 1 172 172 HIS CA C 13 58.130 0.000 . 1 . . . . 166 HIS CA . 18461 1 487 . 1 1 172 172 HIS N N 15 126.040 0.082 . 1 . . . . 166 HIS N . 18461 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 18461 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 749.93 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 0.288563 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 3 '2D 1H-15N HSQC' . . . 18461 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 7 7 MET N N 15 . 1 1 7 7 MET H H 1 0.202651 0.00499901 . . . 1 MET N . 1 MET H 18461 1 2 . 1 1 8 8 THR N N 15 . 1 1 8 8 THR H H 1 0.460327 0.0164323 . . . 2 THR N . 2 THR H 18461 1 3 . 1 1 9 9 GLU N N 15 . 1 1 9 9 GLU H H 1 0.761654 0.0287314 . . . 3 GLU N . 3 GLU H 18461 1 4 . 1 1 10 10 TYR N N 15 . 1 1 10 10 TYR H H 1 0.62459 0.0329856 . . . 4 TYR N . 4 TYR H 18461 1 5 . 1 1 11 11 LYS N N 15 . 1 1 11 11 LYS H H 1 0.881093 0.071993 . . . 5 LYS N . 5 LYS H 18461 1 6 . 1 1 12 12 LEU N N 15 . 1 1 12 12 LEU H H 1 0.960945 0.0816211 . . . 6 LEU N . 6 LEU H 18461 1 7 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.916353 0.073344 . . . 9 VAL N . 9 VAL H 18461 1 8 . 1 1 16 16 GLY N N 15 . 1 1 16 16 GLY H H 1 0.820072 0.06473 . . . 10 GLY N . 10 GLY H 18461 1 9 . 1 1 18 18 GLY N N 15 . 1 1 18 18 GLY H H 1 0.933248 0.059757 . . . 12 GLY N . 12 GLY H 18461 1 10 . 1 1 19 19 GLY N N 15 . 1 1 19 19 GLY H H 1 0.901682 0.117373 . . . 13 GLY N . 13 GLY H 18461 1 11 . 1 1 20 20 VAL N N 15 . 1 1 20 20 VAL H H 1 0.950598 0.046546 . . . 14 VAL N . 14 VAL H 18461 1 12 . 1 1 21 21 GLY N N 15 . 1 1 21 21 GLY H H 1 1.0104 0.0842001 . . . 15 GLY N . 15 GLY H 18461 1 13 . 1 1 22 22 LYS N N 15 . 1 1 22 22 LYS H H 1 0.86991 0.117565 . . . 16 LYS N . 16 LYS H 18461 1 14 . 1 1 23 23 SER N N 15 . 1 1 23 23 SER H H 1 0.956419 0.0642027 . . . 17 SER N . 17 SER H 18461 1 15 . 1 1 24 24 ALA N N 15 . 1 1 24 24 ALA H H 1 0.817588 0.0527197 . . . 18 ALA N . 18 ALA H 18461 1 16 . 1 1 25 25 LEU N N 15 . 1 1 25 25 LEU H H 1 0.886563 0.0468208 . . . 19 LEU N . 19 LEU H 18461 1 17 . 1 1 26 26 THR N N 15 . 1 1 26 26 THR H H 1 0.896213 0.0484715 . . . 20 THR N . 20 THR H 18461 1 18 . 1 1 27 27 ILE N N 15 . 1 1 27 27 ILE H H 1 0.821124 0.0730046 . . . 21 ILE N . 21 ILE H 18461 1 19 . 1 1 28 28 GLN N N 15 . 1 1 28 28 GLN H H 1 0.788183 0.0437373 . . . 22 GLN N . 22 GLN H 18461 1 20 . 1 1 29 29 LEU N N 15 . 1 1 29 29 LEU H H 1 0.930233 0.051621 . . . 23 LEU N . 23 LEU H 18461 1 21 . 1 1 30 30 ILE N N 15 . 1 1 30 30 ILE H H 1 0.831425 0.0759774 . . . 24 ILE N . 24 ILE H 18461 1 22 . 1 1 31 31 GLN N N 15 . 1 1 31 31 GLN H H 1 1.09131 0.0880555 . . . 25 GLN N . 25 GLN H 18461 1 23 . 1 1 32 32 ASN N N 15 . 1 1 32 32 ASN H H 1 0.903438 0.0464246 . . . 26 ASN N . 26 ASN H 18461 1 24 . 1 1 33 33 HIS N N 15 . 1 1 33 33 HIS H H 1 0.80292 0.0355364 . . . 27 HIS N . 27 HIS H 18461 1 25 . 1 1 34 34 PHE N N 15 . 1 1 34 34 PHE H H 1 0.89386 0.050294 . . . 28 PHE N . 28 PHE H 18461 1 26 . 1 1 35 35 VAL N N 15 . 1 1 35 35 VAL H H 1 0.643416 0.141238 . . . 29 VAL N . 29 VAL H 18461 1 27 . 1 1 36 36 ASP N N 15 . 1 1 36 36 ASP H H 1 0.81824 0.0898071 . . . 30 ASP N . 30 ASP H 18461 1 28 . 1 1 41 41 THR N N 15 . 1 1 41 41 THR H H 1 0.77864 0.157309 . . . 35 THR N . 35 THR H 18461 1 29 . 1 1 43 43 GLU N N 15 . 1 1 43 43 GLU H H 1 1.06608 0.0993643 . . . 37 GLU N . 37 GLU H 18461 1 30 . 1 1 44 44 ASP N N 15 . 1 1 44 44 ASP H H 1 1.07436 0.0817966 . . . 38 ASP N . 38 ASP H 18461 1 31 . 1 1 45 45 SER N N 15 . 1 1 45 45 SER H H 1 0.91682 0.0978418 . . . 39 SER N . 39 SER H 18461 1 32 . 1 1 46 46 TYR N N 15 . 1 1 46 46 TYR H H 1 0.918273 0.0910128 . . . 40 TYR N . 40 TYR H 18461 1 33 . 1 1 48 48 LYS N N 15 . 1 1 48 48 LYS H H 1 0.774438 0.0429746 . . . 42 LYS N . 42 LYS H 18461 1 34 . 1 1 49 49 GLN N N 15 . 1 1 49 49 GLN H H 1 0.84416 0.0511126 . . . 43 GLN N . 43 GLN H 18461 1 35 . 1 1 50 50 VAL N N 15 . 1 1 50 50 VAL H H 1 0.930911 0.0516586 . . . 44 VAL N . 44 VAL H 18461 1 36 . 1 1 51 51 VAL N N 15 . 1 1 51 51 VAL H H 1 0.776435 0.0399487 . . . 45 VAL N . 45 VAL H 18461 1 37 . 1 1 52 52 ILE N N 15 . 1 1 52 52 ILE H H 1 0.915177 0.0692625 . . . 46 ILE N . 46 ILE H 18461 1 38 . 1 1 53 53 ASP N N 15 . 1 1 53 53 ASP H H 1 0.714904 0.0578438 . . . 47 ASP N . 47 ASP H 18461 1 39 . 1 1 54 54 GLY N N 15 . 1 1 54 54 GLY H H 1 0.771802 0.0358011 . . . 48 GLY N . 48 GLY H 18461 1 40 . 1 1 55 55 GLU N N 15 . 1 1 55 55 GLU H H 1 0.82464 0.0241418 . . . 49 GLU N . 49 GLU H 18461 1 41 . 1 1 56 56 THR N N 15 . 1 1 56 56 THR H H 1 1.01206 0.0502483 . . . 50 THR N . 50 THR H 18461 1 42 . 1 1 57 57 CYS N N 15 . 1 1 57 57 CYS H H 1 0.855916 0.0380489 . . . 51 CYS N . 51 CYS H 18461 1 43 . 1 1 59 59 LEU N N 15 . 1 1 59 59 LEU H H 1 0.795428 0.0665154 . . . 53 LEU N . 53 LEU H 18461 1 44 . 1 1 60 60 ASP N N 15 . 1 1 60 60 ASP H H 1 0.928498 0.0690239 . . . 54 ASP N . 54 ASP H 18461 1 45 . 1 1 61 61 ILE N N 15 . 1 1 61 61 ILE H H 1 0.917054 0.0681731 . . . 55 ILE N . 55 ILE H 18461 1 46 . 1 1 63 63 ASP N N 15 . 1 1 63 63 ASP H H 1 0.919091 0.119639 . . . 57 ASP N . 57 ASP H 18461 1 47 . 1 1 66 66 GLY N N 15 . 1 1 66 66 GLY H H 1 0.678884 0.0644342 . . . 60 GLY N . 60 GLY H 18461 1 48 . 1 1 67 67 GLN N N 15 . 1 1 67 67 GLN H H 1 0.632537 0.0296267 . . . 61 GLN N . 61 GLN H 18461 1 49 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.834269 0.0875752 . . . 62 GLU N . 62 GLU H 18461 1 50 . 1 1 69 69 GLU N N 15 . 1 1 69 69 GLU H H 1 0.774674 0.046651 . . . 63 GLU N . 63 GLU H 18461 1 51 . 1 1 72 72 ALA N N 15 . 1 1 72 72 ALA H H 1 0.654129 0.0278461 . . . 66 ALA N . 66 ALA H 18461 1 52 . 1 1 73 73 MET N N 15 . 1 1 73 73 MET H H 1 0.768054 0.0231262 . . . 67 MET N . 67 MET H 18461 1 53 . 1 1 74 74 ARG N N 15 . 1 1 74 74 ARG H H 1 0.739173 0.0234954 . . . 68 ARG N . 68 ARG H 18461 1 54 . 1 1 75 75 ASP N N 15 . 1 1 75 75 ASP H H 1 0.714017 0.0237643 . . . 69 ASP N . 69 ASP H 18461 1 55 . 1 1 76 76 GLN N N 15 . 1 1 76 76 GLN H H 1 0.633907 0.0220418 . . . 70 GLN N . 70 GLN H 18461 1 56 . 1 1 77 77 TYR N N 15 . 1 1 77 77 TYR H H 1 0.685523 0.0252386 . . . 71 TYR N . 71 TYR H 18461 1 57 . 1 1 78 78 MET N N 15 . 1 1 78 78 MET H H 1 0.94257 0.0544869 . . . 72 MET N . 72 MET H 18461 1 58 . 1 1 80 80 THR N N 15 . 1 1 80 80 THR H H 1 0.816067 0.0367628 . . . 74 THR N . 74 THR H 18461 1 59 . 1 1 81 81 GLY N N 15 . 1 1 81 81 GLY H H 1 0.806488 0.0331532 . . . 75 GLY N . 75 GLY H 18461 1 60 . 1 1 82 82 GLU N N 15 . 1 1 82 82 GLU H H 1 0.90273 0.107503 . . . 76 GLU N . 76 GLU H 18461 1 61 . 1 1 83 83 GLY N N 15 . 1 1 83 83 GLY H H 1 0.922655 0.0468339 . . . 77 GLY N . 77 GLY H 18461 1 62 . 1 1 84 84 PHE N N 15 . 1 1 84 84 PHE H H 1 0.775107 0.0813649 . . . 78 PHE N . 78 PHE H 18461 1 63 . 1 1 85 85 LEU N N 15 . 1 1 85 85 LEU H H 1 0.904358 0.0784807 . . . 79 LEU N . 79 LEU H 18461 1 64 . 1 1 86 86 CYS N N 15 . 1 1 86 86 CYS H H 1 0.756919 0.0455818 . . . 80 CYS N . 80 CYS H 18461 1 65 . 1 1 87 87 VAL N N 15 . 1 1 87 87 VAL H H 1 0.780369 0.0669775 . . . 81 VAL N . 81 VAL H 18461 1 66 . 1 1 88 88 PHE N N 15 . 1 1 88 88 PHE H H 1 0.897893 0.0584397 . . . 82 PHE N . 82 PHE H 18461 1 67 . 1 1 89 89 ALA N N 15 . 1 1 89 89 ALA H H 1 0.985615 0.0761694 . . . 83 ALA N . 83 ALA H 18461 1 68 . 1 1 90 90 ILE N N 15 . 1 1 90 90 ILE H H 1 0.791055 0.0624397 . . . 84 ILE N . 84 ILE H 18461 1 69 . 1 1 91 91 ASN N N 15 . 1 1 91 91 ASN H H 1 0.879268 0.0374303 . . . 85 ASN N . 85 ASN H 18461 1 70 . 1 1 92 92 ASN N N 15 . 1 1 92 92 ASN H H 1 0.817552 0.0290135 . . . 86 ASN N . 86 ASN H 18461 1 71 . 1 1 94 94 LYS N N 15 . 1 1 94 94 LYS H H 1 0.906502 0.0362778 . . . 88 LYS N . 88 LYS H 18461 1 72 . 1 1 95 95 SER N N 15 . 1 1 95 95 SER H H 1 0.890437 0.044127 . . . 89 SER N . 89 SER H 18461 1 73 . 1 1 96 96 PHE N N 15 . 1 1 96 96 PHE H H 1 1.08869 0.0774445 . . . 90 PHE N . 90 PHE H 18461 1 74 . 1 1 99 99 ILE N N 15 . 1 1 99 99 ILE H H 1 0.883059 0.0375917 . . . 93 ILE N . 93 ILE H 18461 1 75 . 1 1 100 100 HIS N N 15 . 1 1 100 100 HIS H H 1 0.867337 0.0263833 . . . 94 HIS N . 94 HIS H 18461 1 76 . 1 1 101 101 GLN N N 15 . 1 1 101 101 GLN H H 1 0.728629 0.0242506 . . . 95 GLN N . 95 GLN H 18461 1 77 . 1 1 102 102 TYR N N 15 . 1 1 102 102 TYR H H 1 0.816738 0.0351948 . . . 96 TYR N . 96 TYR H 18461 1 78 . 1 1 104 104 GLU N N 15 . 1 1 104 104 GLU H H 1 0.934057 0.044176 . . . 98 GLU N . 98 GLU H 18461 1 79 . 1 1 105 105 GLN N N 15 . 1 1 105 105 GLN H H 1 0.815045 0.0312895 . . . 99 GLN N . 99 GLN H 18461 1 80 . 1 1 108 108 ARG N N 15 . 1 1 108 108 ARG H H 1 0.861181 0.0292204 . . . 102 ARG N . 102 ARG H 18461 1 81 . 1 1 109 109 VAL N N 15 . 1 1 109 109 VAL H H 1 0.756151 0.0184455 . . . 103 VAL N . 103 VAL H 18461 1 82 . 1 1 111 111 ASP N N 15 . 1 1 111 111 ASP H H 1 0.753229 0.0295896 . . . 105 ASP N . 105 ASP H 18461 1 83 . 1 1 112 112 SER N N 15 . 1 1 112 112 SER H H 1 0.6815 0.0184204 . . . 106 SER N . 106 SER H 18461 1 84 . 1 1 113 113 ASP N N 15 . 1 1 113 113 ASP H H 1 0.327499 0.0119318 . . . 107 ASP N . 107 ASP H 18461 1 85 . 1 1 114 114 ASP N N 15 . 1 1 114 114 ASP H H 1 0.432271 0.0167171 . . . 108 ASP N . 108 ASP H 18461 1 86 . 1 1 115 115 VAL N N 15 . 1 1 115 115 VAL H H 1 0.294992 0.0126948 . . . 109 VAL N . 109 VAL H 18461 1 87 . 1 1 117 117 MET N N 15 . 1 1 117 117 MET H H 1 0.90235 0.0515376 . . . 111 MET N . 111 MET H 18461 1 88 . 1 1 118 118 VAL N N 15 . 1 1 118 118 VAL H H 1 0.749691 0.047156 . . . 112 VAL N . 112 VAL H 18461 1 89 . 1 1 119 119 LEU N N 15 . 1 1 119 119 LEU H H 1 1.10113 0.0888484 . . . 113 LEU N . 113 LEU H 18461 1 90 . 1 1 120 120 VAL N N 15 . 1 1 120 120 VAL H H 1 0.728908 0.0606371 . . . 114 VAL N . 114 VAL H 18461 1 91 . 1 1 121 121 GLY N N 15 . 1 1 121 121 GLY H H 1 0.736792 0.052099 . . . 115 GLY N . 115 GLY H 18461 1 92 . 1 1 122 122 ASN N N 15 . 1 1 122 122 ASN H H 1 0.915157 0.0595634 . . . 116 ASN N . 116 ASN H 18461 1 93 . 1 1 124 124 CYS N N 15 . 1 1 124 124 CYS H H 1 0.809756 0.0499313 . . . 118 CYS N . 118 CYS H 18461 1 94 . 1 1 125 125 ASP N N 15 . 1 1 125 125 ASP H H 1 0.909662 0.043531 . . . 119 ASP N . 119 ASP H 18461 1 95 . 1 1 126 126 LEU N N 15 . 1 1 126 126 LEU H H 1 0.875295 0.0384277 . . . 120 LEU N . 120 LEU H 18461 1 96 . 1 1 127 127 ALA N N 15 . 1 1 127 127 ALA H H 1 0.700183 0.033062 . . . 121 ALA N . 121 ALA H 18461 1 97 . 1 1 128 128 ALA N N 15 . 1 1 128 128 ALA H H 1 0.635345 0.0213579 . . . 122 ALA N . 122 ALA H 18461 1 98 . 1 1 129 129 ARG N N 15 . 1 1 129 129 ARG H H 1 0.646194 0.0236413 . . . 123 ARG N . 123 ARG H 18461 1 99 . 1 1 130 130 THR N N 15 . 1 1 130 130 THR H H 1 1.02642 0.213837 . . . 124 THR N . 124 THR H 18461 1 100 . 1 1 131 131 VAL N N 15 . 1 1 131 131 VAL H H 1 0.726176 0.0456769 . . . 125 VAL N . 125 VAL H 18461 1 101 . 1 1 132 132 GLU N N 15 . 1 1 132 132 GLU H H 1 0.773811 0.0429398 . . . 126 GLU N . 126 GLU H 18461 1 102 . 1 1 133 133 SER N N 15 . 1 1 133 133 SER H H 1 0.86414 0.0410087 . . . 127 SER N . 127 SER H 18461 1 103 . 1 1 134 134 ARG N N 15 . 1 1 134 134 ARG H H 1 0.752503 0.0280053 . . . 128 ARG N . 128 ARG H 18461 1 104 . 1 1 135 135 GLN N N 15 . 1 1 135 135 GLN H H 1 0.860312 0.0345283 . . . 129 GLN N . 129 GLN H 18461 1 105 . 1 1 136 136 ALA N N 15 . 1 1 136 136 ALA H H 1 0.761049 0.0287086 . . . 130 ALA N . 130 ALA H 18461 1 106 . 1 1 139 139 LEU N N 15 . 1 1 139 139 LEU H H 1 0.858251 0.0401986 . . . 133 LEU N . 133 LEU H 18461 1 107 . 1 1 140 140 ALA N N 15 . 1 1 140 140 ALA H H 1 0.76575 0.0193474 . . . 134 ALA N . 134 ALA H 18461 1 108 . 1 1 141 141 ARG N N 15 . 1 1 141 141 ARG H H 1 0.853234 0.0263996 . . . 135 ARG N . 135 ARG H 18461 1 109 . 1 1 142 142 SER N N 15 . 1 1 142 142 SER H H 1 0.869606 0.0223785 . . . 136 SER N . 136 SER H 18461 1 110 . 1 1 143 143 TYR N N 15 . 1 1 143 143 TYR H H 1 0.860393 0.0437906 . . . 137 TYR N . 137 TYR H 18461 1 111 . 1 1 144 144 GLY N N 15 . 1 1 144 144 GLY H H 1 0.902204 0.0417416 . . . 138 GLY N . 138 GLY H 18461 1 112 . 1 1 145 145 ILE N N 15 . 1 1 145 145 ILE H H 1 0.887491 0.0445506 . . . 139 ILE N . 139 ILE H 18461 1 113 . 1 1 148 148 ILE N N 15 . 1 1 148 148 ILE H H 1 0.922276 0.054076 . . . 142 ILE N . 142 ILE H 18461 1 114 . 1 1 149 149 GLU N N 15 . 1 1 149 149 GLU H H 1 0.804692 0.0407209 . . . 143 GLU N . 143 GLU H 18461 1 115 . 1 1 150 150 THR N N 15 . 1 1 150 150 THR H H 1 0.903332 0.0529653 . . . 144 THR N . 144 THR H 18461 1 116 . 1 1 151 151 SER N N 15 . 1 1 151 151 SER H H 1 0.874958 0.0520979 . . . 145 SER N . 145 SER H 18461 1 117 . 1 1 152 152 ALA N N 15 . 1 1 152 152 ALA H H 1 0.847783 0.0692714 . . . 146 ALA N . 146 ALA H 18461 1 118 . 1 1 153 153 LYS N N 15 . 1 1 153 153 LYS H H 1 0.750164 0.0493838 . . . 147 LYS N . 147 LYS H 18461 1 119 . 1 1 154 154 THR N N 15 . 1 1 154 154 THR H H 1 1.03692 0.0789466 . . . 148 THR N . 148 THR H 18461 1 120 . 1 1 156 156 GLN N N 15 . 1 1 156 156 GLN H H 1 0.627628 0.0275545 . . . 150 GLN N . 150 GLN H 18461 1 121 . 1 1 157 157 GLY N N 15 . 1 1 157 157 GLY H H 1 0.839396 0.0541259 . . . 151 GLY N . 151 GLY H 18461 1 122 . 1 1 158 158 VAL N N 15 . 1 1 158 158 VAL H H 1 0.916006 0.0405602 . . . 152 VAL N . 152 VAL H 18461 1 123 . 1 1 159 159 GLU N N 15 . 1 1 159 159 GLU H H 1 0.825819 0.0397432 . . . 153 GLU N . 153 GLU H 18461 1 124 . 1 1 161 161 ALA N N 15 . 1 1 161 161 ALA H H 1 0.857468 0.0257383 . . . 155 ALA N . 155 ALA H 18461 1 125 . 1 1 162 162 PHE N N 15 . 1 1 162 162 PHE H H 1 0.938285 0.0459431 . . . 156 PHE N . 156 PHE H 18461 1 126 . 1 1 163 163 TYR N N 15 . 1 1 163 163 TYR H H 1 0.89887 0.0430146 . . . 157 TYR N . 157 TYR H 18461 1 127 . 1 1 164 164 THR N N 15 . 1 1 164 164 THR H H 1 0.942903 0.0461692 . . . 158 THR N . 158 THR H 18461 1 128 . 1 1 165 165 LEU N N 15 . 1 1 165 165 LEU H H 1 0.852696 0.0399384 . . . 159 LEU N . 159 LEU H 18461 1 129 . 1 1 166 166 VAL N N 15 . 1 1 166 166 VAL H H 1 0.933112 0.0517808 . . . 160 VAL N . 160 VAL H 18461 1 130 . 1 1 167 167 ARG N N 15 . 1 1 167 167 ARG H H 1 0.840151 0.0518056 . . . 161 ARG N . 161 ARG H 18461 1 131 . 1 1 168 168 GLU N N 15 . 1 1 168 168 GLU H H 1 1.1002 0.0661137 . . . 162 GLU N . 162 GLU H 18461 1 132 . 1 1 170 170 ARG N N 15 . 1 1 170 170 ARG H H 1 0.651697 0.0349465 . . . 164 ARG N . 164 ARG H 18461 1 133 . 1 1 171 171 GLN N N 15 . 1 1 171 171 GLN H H 1 0.770493 0.0194672 . . . 165 GLN N . 165 GLN H 18461 1 134 . 1 1 172 172 HIS N N 15 . 1 1 172 172 HIS H H 1 0.608627 0.0115707 . . . 166 HIS N . 166 HIS H 18461 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 18461 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 749.93 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 3 '2D 1H-15N HSQC' . . . 18461 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 7 7 MET N N 15 0.845682 0.0172 . . 1 MET N 18461 1 2 . 1 1 8 8 THR N N 15 1.19297 0.0399 . . 2 THR N 18461 1 3 . 1 1 9 9 GLU N N 15 1.70452 0.0845 . . 3 GLU N 18461 1 4 . 1 1 10 10 TYR N N 15 1.38351 0.0776 . . 4 TYR N 18461 1 5 . 1 1 11 11 LYS N N 15 2.36983 0.419 . . 5 LYS N 18461 1 6 . 1 1 12 12 LEU N N 15 2.10371 0.27 . . 6 LEU N 18461 1 7 . 1 1 15 15 VAL N N 15 1.56063 0.049 . . 9 VAL N 18461 1 8 . 1 1 16 16 GLY N N 15 2.3279 0.139 . . 10 GLY N 18461 1 9 . 1 1 18 18 GLY N N 15 2.01738 0.224 . . 12 GLY N 18461 1 10 . 1 1 19 19 GLY N N 15 1.1907 0.141 . . 13 GLY N 18461 1 11 . 1 1 20 20 VAL N N 15 1.47817 0.0657 . . 14 VAL N 18461 1 12 . 1 1 21 21 GLY N N 15 2.23354 0.371 . . 15 GLY N 18461 1 13 . 1 1 22 22 LYS N N 15 0.98194 0.114 . . 16 LYS N 18461 1 14 . 1 1 23 23 SER N N 15 1.44074 0.097 . . 17 SER N 18461 1 15 . 1 1 24 24 ALA N N 15 1.62526 0.0942 . . 18 ALA N 18461 1 16 . 1 1 25 25 LEU N N 15 1.51972 0.09 . . 19 LEU N 18461 1 17 . 1 1 26 26 THR N N 15 1.39538 0.0874 . . 20 THR N 18461 1 18 . 1 1 27 27 ILE N N 15 1.53964 0.208 . . 21 ILE N 18461 1 19 . 1 1 28 28 GLN N N 15 1.41729 0.0769 . . 22 GLN N 18461 1 20 . 1 1 29 29 LEU N N 15 1.68484 0.125 . . 23 LEU N 18461 1 21 . 1 1 30 30 ILE N N 15 1.32466 0.0892 . . 24 ILE N 18461 1 22 . 1 1 31 31 GLN N N 15 1.48098 0.175 . . 25 GLN N 18461 1 23 . 1 1 32 32 ASN N N 15 1.38549 0.0949 . . 26 ASN N 18461 1 24 . 1 1 33 33 HIS N N 15 1.4632 0.0307 . . 27 HIS N 18461 1 25 . 1 1 34 34 PHE N N 15 1.26483 0.153 . . 28 PHE N 18461 1 26 . 1 1 35 35 VAL N N 15 1.25769 0.333 . . 29 VAL N 18461 1 27 . 1 1 36 36 ASP N N 15 1.4626 0.242 . . 30 ASP N 18461 1 28 . 1 1 41 41 THR N N 15 1.53221 0.464 . . 35 THR N 18461 1 29 . 1 1 43 43 GLU N N 15 1.89465 0.164 . . 37 GLU N 18461 1 30 . 1 1 44 44 ASP N N 15 1.74605 0.274 . . 38 ASP N 18461 1 31 . 1 1 45 45 SER N N 15 2.07378 0.237 . . 39 SER N 18461 1 32 . 1 1 46 46 TYR N N 15 1.45448 0.174 . . 40 TYR N 18461 1 33 . 1 1 48 48 LYS N N 15 1.84547 0.0474 . . 42 LYS N 18461 1 34 . 1 1 49 49 GLN N N 15 1.63012 0.162 . . 43 GLN N 18461 1 35 . 1 1 50 50 VAL N N 15 1.46808 0.0643 . . 44 VAL N 18461 1 36 . 1 1 51 51 VAL N N 15 1.50133 0.0602 . . 45 VAL N 18461 1 37 . 1 1 52 52 ILE N N 15 1.72172 0.134 . . 46 ILE N 18461 1 38 . 1 1 53 53 ASP N N 15 1.45393 0.159 . . 47 ASP N 18461 1 39 . 1 1 54 54 GLY N N 15 1.3715 0.0641 . . 48 GLY N 18461 1 40 . 1 1 55 55 GLU N N 15 1.67169 0.0834 . . 49 GLU N 18461 1 41 . 1 1 56 56 THR N N 15 1.36371 0.121 . . 50 THR N 18461 1 42 . 1 1 57 57 CYS N N 15 1.43987 0.0555 . . 51 CYS N 18461 1 43 . 1 1 59 59 LEU N N 15 1.60203 0.133 . . 53 LEU N 18461 1 44 . 1 1 60 60 ASP N N 15 1.80452 0.23 . . 54 ASP N 18461 1 45 . 1 1 61 61 ILE N N 15 1.64134 0.103 . . 55 ILE N 18461 1 46 . 1 1 63 63 ASP N N 15 1.61917 0.255 . . 57 ASP N 18461 1 47 . 1 1 66 66 GLY N N 15 1.72954 0.252 . . 60 GLY N 18461 1 48 . 1 1 67 67 GLN N N 15 1.27484 0.0442 . . 61 GLN N 18461 1 49 . 1 1 68 68 GLU N N 15 1.25772 0.142 . . 62 GLU N 18461 1 50 . 1 1 69 69 GLU N N 15 1.24333 0.072 . . 63 GLU N 18461 1 51 . 1 1 72 72 ALA N N 15 1.16218 0.0532 . . 66 ALA N 18461 1 52 . 1 1 73 73 MET N N 15 1.0799 0.0394 . . 67 MET N 18461 1 53 . 1 1 74 74 ARG N N 15 1.2358 0.0593 . . 68 ARG N 18461 1 54 . 1 1 75 75 ASP N N 15 1.34778 0.044 . . 69 ASP N 18461 1 55 . 1 1 76 76 GLN N N 15 1.37011 0.0565 . . 70 GLN N 18461 1 56 . 1 1 77 77 TYR N N 15 1.4052 0.0327 . . 71 TYR N 18461 1 57 . 1 1 78 78 MET N N 15 1.44685 0.0982 . . 72 MET N 18461 1 58 . 1 1 80 80 THR N N 15 1.23269 0.0437 . . 74 THR N 18461 1 59 . 1 1 81 81 GLY N N 15 1.27963 0.0687 . . 75 GLY N 18461 1 60 . 1 1 82 82 GLU N N 15 1.51586 0.234 . . 76 GLU N 18461 1 61 . 1 1 83 83 GLY N N 15 1.84993 0.0911 . . 77 GLY N 18461 1 62 . 1 1 84 84 PHE N N 15 1.76439 0.188 . . 78 PHE N 18461 1 63 . 1 1 85 85 LEU N N 15 2.03589 0.278 . . 79 LEU N 18461 1 64 . 1 1 86 86 CYS N N 15 2.03484 0.249 . . 80 CYS N 18461 1 65 . 1 1 87 87 VAL N N 15 2.12456 0.135 . . 81 VAL N 18461 1 66 . 1 1 88 88 PHE N N 15 1.80542 0.0659 . . 82 PHE N 18461 1 67 . 1 1 89 89 ALA N N 15 1.37598 0.173 . . 83 ALA N 18461 1 68 . 1 1 90 90 ILE N N 15 1.66564 0.216 . . 84 ILE N 18461 1 69 . 1 1 91 91 ASN N N 15 1.58902 0.0845 . . 85 ASN N 18461 1 70 . 1 1 92 92 ASN N N 15 1.52626 0.0711 . . 86 ASN N 18461 1 71 . 1 1 94 94 LYS N N 15 1.31551 0.0637 . . 88 LYS N 18461 1 72 . 1 1 95 95 SER N N 15 1.54189 0.0653 . . 89 SER N 18461 1 73 . 1 1 96 96 PHE N N 15 1.63099 0.116 . . 90 PHE N 18461 1 74 . 1 1 99 99 ILE N N 15 1.64602 0.074 . . 93 ILE N 18461 1 75 . 1 1 100 100 HIS N N 15 1.35888 0.052 . . 94 HIS N 18461 1 76 . 1 1 101 101 GLN N N 15 1.48512 0.0462 . . 95 GLN N 18461 1 77 . 1 1 102 102 TYR N N 15 1.63984 0.0601 . . 96 TYR N 18461 1 78 . 1 1 104 104 GLU N N 15 1.54437 0.0718 . . 98 GLU N 18461 1 79 . 1 1 105 105 GLN N N 15 1.53526 0.0846 . . 99 GLN N 18461 1 80 . 1 1 108 108 ARG N N 15 1.58768 0.0649 . . 102 ARG N 18461 1 81 . 1 1 109 109 VAL N N 15 1.62144 0.0654 . . 103 VAL N 18461 1 82 . 1 1 111 111 ASP N N 15 1.38668 0.0619 . . 105 ASP N 18461 1 83 . 1 1 112 112 SER N N 15 1.59225 0.0364 . . 106 SER N 18461 1 84 . 1 1 113 113 ASP N N 15 0.946157 0.0289 . . 107 ASP N 18461 1 85 . 1 1 114 114 ASP N N 15 1.301 0.0344 . . 108 ASP N 18461 1 86 . 1 1 115 115 VAL N N 15 1.24402 0.0383 . . 109 VAL N 18461 1 87 . 1 1 117 117 MET N N 15 1.69858 0.123 . . 111 MET N 18461 1 88 . 1 1 118 118 VAL N N 15 1.84215 0.121 . . 112 VAL N 18461 1 89 . 1 1 119 119 LEU N N 15 1.48691 0.0848 . . 113 LEU N 18461 1 90 . 1 1 120 120 VAL N N 15 1.96496 0.206 . . 114 VAL N 18461 1 91 . 1 1 121 121 GLY N N 15 1.45596 0.0829 . . 115 GLY N 18461 1 92 . 1 1 122 122 ASN N N 15 1.69353 0.191 . . 116 ASN N 18461 1 93 . 1 1 124 124 CYS N N 15 1.53359 0.084 . . 118 CYS N 18461 1 94 . 1 1 125 125 ASP N N 15 1.44751 0.0734 . . 119 ASP N 18461 1 95 . 1 1 126 126 LEU N N 15 1.57147 0.141 . . 120 LEU N 18461 1 96 . 1 1 127 127 ALA N N 15 1.51089 0.0667 . . 121 ALA N 18461 1 97 . 1 1 128 128 ALA N N 15 1.57792 0.0632 . . 122 ALA N 18461 1 98 . 1 1 129 129 ARG N N 15 1.75452 0.0572 . . 123 ARG N 18461 1 99 . 1 1 130 130 THR N N 15 1.72167 0.265 . . 124 THR N 18461 1 100 . 1 1 131 131 VAL N N 15 1.64597 0.135 . . 125 VAL N 18461 1 101 . 1 1 132 132 GLU N N 15 1.63146 0.114 . . 126 GLU N 18461 1 102 . 1 1 133 133 SER N N 15 1.31415 0.0687 . . 127 SER N 18461 1 103 . 1 1 134 134 ARG N N 15 1.48956 0.0788 . . 128 ARG N 18461 1 104 . 1 1 135 135 GLN N N 15 1.54398 0.035 . . 129 GLN N 18461 1 105 . 1 1 136 136 ALA N N 15 1.58563 0.0416 . . 130 ALA N 18461 1 106 . 1 1 139 139 LEU N N 15 1.84756 0.0912 . . 133 LEU N 18461 1 107 . 1 1 140 140 ALA N N 15 1.55322 0.0558 . . 134 ALA N 18461 1 108 . 1 1 141 141 ARG N N 15 1.59529 0.0906 . . 135 ARG N 18461 1 109 . 1 1 143 143 TYR N N 15 1.48688 0.072 . . 137 TYR N 18461 1 110 . 1 1 144 144 GLY N N 15 1.67309 0.0977 . . 138 GLY N 18461 1 111 . 1 1 145 145 ILE N N 15 1.51368 0.0935 . . 139 ILE N 18461 1 112 . 1 1 148 148 ILE N N 15 1.62981 0.0678 . . 142 ILE N 18461 1 113 . 1 1 149 149 GLU N N 15 1.75882 0.0722 . . 143 GLU N 18461 1 114 . 1 1 150 150 THR N N 15 1.52771 0.0921 . . 144 THR N 18461 1 115 . 1 1 151 151 SER N N 15 1.71872 0.126 . . 145 SER N 18461 1 116 . 1 1 152 152 ALA N N 15 1.55066 0.183 . . 146 ALA N 18461 1 117 . 1 1 153 153 LYS N N 15 1.58405 0.0649 . . 147 LYS N 18461 1 118 . 1 1 154 154 THR N N 15 1.57106 0.157 . . 148 THR N 18461 1 119 . 1 1 155 155 ARG N N 15 1.42571 0.135 . . 149 ARG N 18461 1 120 . 1 1 156 156 GLN N N 15 1.59286 0.07 . . 150 GLN N 18461 1 121 . 1 1 157 157 GLY N N 15 1.36525 0.11 . . 151 GLY N 18461 1 122 . 1 1 158 158 VAL N N 15 1.4493 0.0329 . . 152 VAL N 18461 1 123 . 1 1 159 159 GLU N N 15 1.61787 0.0697 . . 153 GLU N 18461 1 124 . 1 1 161 161 ALA N N 15 1.61448 0.0589 . . 155 ALA N 18461 1 125 . 1 1 162 162 PHE N N 15 1.50657 0.116 . . 156 PHE N 18461 1 126 . 1 1 163 163 TYR N N 15 1.58609 0.0953 . . 157 TYR N 18461 1 127 . 1 1 164 164 THR N N 15 1.74722 0.0795 . . 158 THR N 18461 1 128 . 1 1 165 165 LEU N N 15 1.65289 0.0581 . . 159 LEU N 18461 1 129 . 1 1 166 166 VAL N N 15 1.62781 0.0772 . . 160 VAL N 18461 1 130 . 1 1 167 167 ARG N N 15 1.42844 0.126 . . 161 ARG N 18461 1 131 . 1 1 168 168 GLU N N 15 1.70728 0.145 . . 162 GLU N 18461 1 132 . 1 1 170 170 ARG N N 15 1.55577 0.128 . . 164 ARG N 18461 1 133 . 1 1 171 171 GLN N N 15 1.48826 0.054 . . 165 GLN N 18461 1 134 . 1 1 172 172 HIS N N 15 1.16444 0.0287 . . 166 HIS N 18461 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 18461 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 749.93 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units ms _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 3 '2D 1H-15N HSQC' . . . 18461 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 7 7 MET N N 15 89.0485 2.85 . . . . 1 MET N 18461 1 2 . 1 1 8 8 THR N N 15 43.6665 1.96 . . . . 2 THR N 18461 1 3 . 1 1 9 9 GLU N N 15 40.8411 2.03 . . . . 3 GLU N 18461 1 4 . 1 1 10 10 TYR N N 15 38.8765 1.76 . . . . 4 TYR N 18461 1 5 . 1 1 11 11 LYS N N 15 38.4067 3.66 . . . . 5 LYS N 18461 1 6 . 1 1 12 12 LEU N N 15 33.7987 2.9 . . . . 6 LEU N 18461 1 7 . 1 1 15 15 VAL N N 15 28.5434 4.22 . . . . 9 VAL N 18461 1 8 . 1 1 16 16 GLY N N 15 38.5998 4.67 . . . . 10 GLY N 18461 1 9 . 1 1 18 18 GLY N N 15 37.1884 3.65 . . . . 12 GLY N 18461 1 10 . 1 1 19 19 GLY N N 15 32.2261 5.45 . . . . 13 GLY N 18461 1 11 . 1 1 20 20 VAL N N 15 26.8534 2.63 . . . . 14 VAL N 18461 1 12 . 1 1 21 21 GLY N N 15 36.831 6.01 . . . . 15 GLY N 18461 1 13 . 1 1 22 22 LYS N N 15 25.1434 8.95 . . . . 16 LYS N 18461 1 14 . 1 1 23 23 SER N N 15 33.3573 3.04 . . . . 17 SER N 18461 1 15 . 1 1 24 24 ALA N N 15 30.5656 1.75 . . . . 18 ALA N 18461 1 16 . 1 1 25 25 LEU N N 15 29.5944 1.62 . . . . 19 LEU N 18461 1 17 . 1 1 26 26 THR N N 15 29.3962 1.52 . . . . 20 THR N 18461 1 18 . 1 1 27 27 ILE N N 15 30.9209 2.23 . . . . 21 ILE N 18461 1 19 . 1 1 28 28 GLN N N 15 27.9652 1.38 . . . . 22 GLN N 18461 1 20 . 1 1 29 29 LEU N N 15 39.4246 3.98 . . . . 23 LEU N 18461 1 21 . 1 1 30 30 ILE N N 15 26.2958 3.31 . . . . 24 ILE N 18461 1 22 . 1 1 31 31 GLN N N 15 26.1811 2.62 . . . . 25 GLN N 18461 1 23 . 1 1 32 32 ASN N N 15 32.6317 1.97 . . . . 26 ASN N 18461 1 24 . 1 1 33 33 HIS N N 15 31.8224 1.06 . . . . 27 HIS N 18461 1 25 . 1 1 34 34 PHE N N 15 38.5143 2.15 . . . . 28 PHE N 18461 1 26 . 1 1 35 35 VAL N N 15 22.8872 14.4 . . . . 29 VAL N 18461 1 27 . 1 1 36 36 ASP N N 15 24.9183 3.3 . . . . 30 ASP N 18461 1 28 . 1 1 41 41 THR N N 15 10.2755 4.61 . . . . 35 THR N 18461 1 29 . 1 1 43 43 GLU N N 15 32.2948 3.32 . . . . 37 GLU N 18461 1 30 . 1 1 44 44 ASP N N 15 30.4167 1.44 . . . . 38 ASP N 18461 1 31 . 1 1 45 45 SER N N 15 31.039 1.55 . . . . 39 SER N 18461 1 32 . 1 1 46 46 TYR N N 15 27.4706 3.68 . . . . 40 TYR N 18461 1 33 . 1 1 48 48 LYS N N 15 41.3124 2.13 . . . . 42 LYS N 18461 1 34 . 1 1 49 49 GLN N N 15 37.2168 1.01 . . . . 43 GLN N 18461 1 35 . 1 1 50 50 VAL N N 15 32.4893 1.93 . . . . 44 VAL N 18461 1 36 . 1 1 51 51 VAL N N 15 31.5121 1.22 . . . . 45 VAL N 18461 1 37 . 1 1 52 52 ILE N N 15 37.703 2.38 . . . . 46 ILE N 18461 1 38 . 1 1 53 53 ASP N N 15 29.8316 1.72 . . . . 47 ASP N 18461 1 39 . 1 1 54 54 GLY N N 15 36.9228 1.32 . . . . 48 GLY N 18461 1 40 . 1 1 55 55 GLU N N 15 35.5309 0.69 . . . . 49 GLU N 18461 1 41 . 1 1 56 56 THR N N 15 41.1424 1.04 . . . . 50 THR N 18461 1 42 . 1 1 57 57 CYS N N 15 40.463 3.93 . . . . 51 CYS N 18461 1 43 . 1 1 59 59 LEU N N 15 34.059 2.16 . . . . 53 LEU N 18461 1 44 . 1 1 60 60 ASP N N 15 34.9054 5.45 . . . . 54 ASP N 18461 1 45 . 1 1 61 61 ILE N N 15 35.3251 2.62 . . . . 55 ILE N 18461 1 46 . 1 1 63 63 ASP N N 15 34.479 8.13 . . . . 57 ASP N 18461 1 47 . 1 1 66 66 GLY N N 15 28.868 4.14 . . . . 60 GLY N 18461 1 48 . 1 1 67 67 GLN N N 15 40.7624 2.76 . . . . 61 GLN N 18461 1 49 . 1 1 68 68 GLU N N 15 31.318 4.68 . . . . 62 GLU N 18461 1 50 . 1 1 69 69 GLU N N 15 31.5267 2.77 . . . . 63 GLU N 18461 1 51 . 1 1 71 71 SER N N 15 31.908 0.765 . . . . 65 SER N 18461 1 52 . 1 1 72 72 ALA N N 15 32.7636 0.9 . . . . 66 ALA N 18461 1 53 . 1 1 73 73 MET N N 15 36.4676 0.882 . . . . 67 MET N 18461 1 54 . 1 1 74 74 ARG N N 15 34.3943 1.22 . . . . 68 ARG N 18461 1 55 . 1 1 75 75 ASP N N 15 31.0653 0.841 . . . . 69 ASP N 18461 1 56 . 1 1 76 76 GLN N N 15 33.4369 0.864 . . . . 70 GLN N 18461 1 57 . 1 1 77 77 TYR N N 15 31.9839 1 . . . . 71 TYR N 18461 1 58 . 1 1 78 78 MET N N 15 32.1143 1 . . . . 72 MET N 18461 1 59 . 1 1 80 80 THR N N 15 34.6606 1.58 . . . . 74 THR N 18461 1 60 . 1 1 81 81 GLY N N 15 34.2931 1.49 . . . . 75 GLY N 18461 1 61 . 1 1 82 82 GLU N N 15 24.9332 5.54 . . . . 76 GLU N 18461 1 62 . 1 1 83 83 GLY N N 15 27.7724 1.52 . . . . 77 GLY N 18461 1 63 . 1 1 84 84 PHE N N 15 35.1658 3.81 . . . . 78 PHE N 18461 1 64 . 1 1 85 85 LEU N N 15 31.52 0.64 . . . . 79 LEU N 18461 1 65 . 1 1 86 86 CYS N N 15 30.6323 2.99 . . . . 80 CYS N 18461 1 66 . 1 1 87 87 VAL N N 15 31.7329 3.13 . . . . 81 VAL N 18461 1 67 . 1 1 88 88 PHE N N 15 34.4796 4.3 . . . . 82 PHE N 18461 1 68 . 1 1 89 89 ALA N N 15 28.3609 2.62 . . . . 83 ALA N 18461 1 69 . 1 1 90 90 ILE N N 15 32.1292 2.46 . . . . 84 ILE N 18461 1 70 . 1 1 91 91 ASN N N 15 24.8149 1.4 . . . . 85 ASN N 18461 1 71 . 1 1 92 92 ASN N N 15 32.1567 0.354 . . . . 86 ASN N 18461 1 72 . 1 1 94 94 LYS N N 15 39.5396 3.38 . . . . 88 LYS N 18461 1 73 . 1 1 95 95 SER N N 15 32.1471 0.69 . . . . 89 SER N 18461 1 74 . 1 1 96 96 PHE N N 15 26.8509 2.52 . . . . 90 PHE N 18461 1 75 . 1 1 99 99 ILE N N 15 27.5528 1.28 . . . . 93 ILE N 18461 1 76 . 1 1 100 100 HIS N N 15 30.203 0.928 . . . . 94 HIS N 18461 1 77 . 1 1 101 101 GLN N N 15 32.8645 0.553 . . . . 95 GLN N 18461 1 78 . 1 1 102 102 TYR N N 15 32.1731 0.708 . . . . 96 TYR N 18461 1 79 . 1 1 104 104 GLU N N 15 27.569 0.914 . . . . 98 GLU N 18461 1 80 . 1 1 105 105 GLN N N 15 33.9115 1.05 . . . . 99 GLN N 18461 1 81 . 1 1 108 108 ARG N N 15 29.3467 1.45 . . . . 102 ARG N 18461 1 82 . 1 1 109 109 VAL N N 15 31.1844 0.649 . . . . 103 VAL N 18461 1 83 . 1 1 111 111 ASP N N 15 33.0739 0.411 . . . . 105 ASP N 18461 1 84 . 1 1 112 112 SER N N 15 37.3728 1.47 . . . . 106 SER N 18461 1 85 . 1 1 114 114 ASP N N 15 47.3156 0.866 . . . . 108 ASP N 18461 1 86 . 1 1 115 115 VAL N N 15 53.4291 1.27 . . . . 109 VAL N 18461 1 87 . 1 1 117 117 MET N N 15 29.5996 2.49 . . . . 111 MET N 18461 1 88 . 1 1 118 118 VAL N N 15 28.8461 2.05 . . . . 112 VAL N 18461 1 89 . 1 1 119 119 LEU N N 15 31.8763 3.83 . . . . 113 LEU N 18461 1 90 . 1 1 120 120 VAL N N 15 28.6307 2.4 . . . . 114 VAL N 18461 1 91 . 1 1 121 121 GLY N N 15 31.822 2.03 . . . . 115 GLY N 18461 1 92 . 1 1 122 122 ASN N N 15 34.8722 3.57 . . . . 116 ASN N 18461 1 93 . 1 1 124 124 CYS N N 15 29.9642 2.41 . . . . 118 CYS N 18461 1 94 . 1 1 125 125 ASP N N 15 25.6394 1.6 . . . . 119 ASP N 18461 1 95 . 1 1 126 126 LEU N N 15 30.0456 1.63 . . . . 120 LEU N 18461 1 96 . 1 1 127 127 ALA N N 15 34.075 0.871 . . . . 121 ALA N 18461 1 97 . 1 1 128 128 ALA N N 15 42.2413 0.311 . . . . 122 ALA N 18461 1 98 . 1 1 129 129 ARG N N 15 45.9063 1.81 . . . . 123 ARG N 18461 1 99 . 1 1 130 130 THR N N 15 31.5157 5.03 . . . . 124 THR N 18461 1 100 . 1 1 131 131 VAL N N 15 30.7778 1.95 . . . . 125 VAL N 18461 1 101 . 1 1 132 132 GLU N N 15 36.617 1.42 . . . . 126 GLU N 18461 1 102 . 1 1 133 133 SER N N 15 34.2613 2.08 . . . . 127 SER N 18461 1 103 . 1 1 134 134 ARG N N 15 27.7813 0.975 . . . . 128 ARG N 18461 1 104 . 1 1 135 135 GLN N N 15 33.847 0.773 . . . . 129 GLN N 18461 1 105 . 1 1 136 136 ALA N N 15 32.8371 1.11 . . . . 130 ALA N 18461 1 106 . 1 1 139 139 LEU N N 15 33.5278 2.16 . . . . 133 LEU N 18461 1 107 . 1 1 140 140 ALA N N 15 41.2454 1.56 . . . . 134 ALA N 18461 1 108 . 1 1 141 141 ARG N N 15 32.5904 0.996 . . . . 135 ARG N 18461 1 109 . 1 1 142 142 SER N N 15 31.2662 0.355 . . . . 136 SER N 18461 1 110 . 1 1 143 143 TYR N N 15 32.6704 1.62 . . . . 137 TYR N 18461 1 111 . 1 1 144 144 GLY N N 15 30.3905 0.958 . . . . 138 GLY N 18461 1 112 . 1 1 145 145 ILE N N 15 34.2961 2.34 . . . . 139 ILE N 18461 1 113 . 1 1 148 148 ILE N N 15 31.7244 1.42 . . . . 142 ILE N 18461 1 114 . 1 1 149 149 GLU N N 15 27.7933 1.19 . . . . 143 GLU N 18461 1 115 . 1 1 150 150 THR N N 15 34.1111 3.04 . . . . 144 THR N 18461 1 116 . 1 1 151 151 SER N N 15 35.2664 1.9 . . . . 145 SER N 18461 1 117 . 1 1 152 152 ALA N N 15 28.058 2.41 . . . . 146 ALA N 18461 1 118 . 1 1 153 153 LYS N N 15 33.2681 1.53 . . . . 147 LYS N 18461 1 119 . 1 1 154 154 THR N N 15 31.5606 2.85 . . . . 148 THR N 18461 1 120 . 1 1 155 155 ARG N N 15 30.5558 1.38 . . . . 149 ARG N 18461 1 121 . 1 1 156 156 GLN N N 15 41.8546 2.67 . . . . 150 GLN N 18461 1 122 . 1 1 157 157 GLY N N 15 32.1334 2.51 . . . . 151 GLY N 18461 1 123 . 1 1 158 158 VAL N N 15 30.1987 0.9 . . . . 152 VAL N 18461 1 124 . 1 1 159 159 GLU N N 15 27.6579 1.96 . . . . 153 GLU N 18461 1 125 . 1 1 161 161 ALA N N 15 37.043 2.89 . . . . 155 ALA N 18461 1 126 . 1 1 162 162 PHE N N 15 34.7596 1.58 . . . . 156 PHE N 18461 1 127 . 1 1 163 163 TYR N N 15 30.6879 1.17 . . . . 157 TYR N 18461 1 128 . 1 1 164 164 THR N N 15 29.9186 1.78 . . . . 158 THR N 18461 1 129 . 1 1 165 165 LEU N N 15 31.4609 1.14 . . . . 159 LEU N 18461 1 130 . 1 1 166 166 VAL N N 15 29.0364 2.26 . . . . 160 VAL N 18461 1 131 . 1 1 167 167 ARG N N 15 29.5865 1.94 . . . . 161 ARG N 18461 1 132 . 1 1 168 168 GLU N N 15 29.2626 0.733 . . . . 162 GLU N 18461 1 133 . 1 1 170 170 ARG N N 15 31.868 1.25 . . . . 164 ARG N 18461 1 134 . 1 1 171 171 GLN N N 15 33.1955 0.595 . . . . 165 GLN N 18461 1 135 . 1 1 172 172 HIS N N 15 43.6571 1.75 . . . . 166 HIS N 18461 1 stop_ save_