data_17201 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17201 _Entry.Title ; Backbone assignment of the little finger domain of Y-family DNA polymerase Dpo4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-22 _Entry.Accession_date 2010-09-22 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'The last 8 residues in the sequence are an affinity tag (for the purpose of protein purification)' _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 Dejian Ma . . . 17201 2 Jason Fowler . . . 17201 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17201 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 200 17201 '15N chemical shifts' 118 17201 '1H chemical shifts' 118 17201 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 2 . . 2014-05-16 2010-09-22 update BMRB 'update entry citation' 17201 1 . . 2011-08-03 2010-09-22 original author 'original release' 17201 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16869 'catalytic core of Dpo4' 17201 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17201 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21337030 _Citation.Full_citation . _Citation.Title 'Backbone assignment of the little finger domain of a Y-family DNA polymerase.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 5 _Citation.Journal_issue 2 _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 195 _Citation.Page_last 198 _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 Dejian Ma . . . 17201 1 2 Jason Fowler . D. . 17201 1 3 Zucai Suo . . . 17201 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17201 _Assembly.ID 1 _Assembly.Name 'little finger domain of Dpo4' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 27957.5 _Assembly.Enzyme_commission_number 'EC 2.7.7.7' _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 'little finger domain of Dpo4' 1 $Dpo4 A . yes native no no . . . 17201 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2RDI . . X-ray 1.92 'This entry is the structure of the little finger domain with the linker between LF and catalytic core' . 17201 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Dpo4 _Entity.Sf_category entity _Entity.Sf_framecode Dpo4 _Entity.Entry_ID 17201 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Dpo4 _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 ; MDEYNEPIRTRVRKSIGRIV TMKRNSRNLEEIKPYLFRAI EESYYKLDKRIPKAIHVVAV TEDLDIVSRGRTFPHGISKE TAYSESVKLLQKILEEDERK IRRIGVRFSKFIEAIGLDKF FDTLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Last 8 residues represent a non-native affinity tag.' _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 131 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'Little Finger (LF) Domain' _Entity.Mutation . _Entity.EC_number 'EC 2.7.7.7' _Entity.Calc_isoelectric_point . _Entity.Formula_weight 27957.5 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 yes SWS Q97W02 . DPO42_SULSO . . . . . . . . . . . . . . 17201 1 2 no PDB 1JX4 . "Crystal Structure Of A Y-Family Dna Polymerase In A Ternary Complex With Dna Substrates And An Incoming Nucleotide" . . . . . 93.13 352 99.18 99.18 1.71e-76 . . . . 17201 1 3 no PDB 1JXL . "Crystal Structure Of A Y-Family Dna Polymerase In A Ternary Complex With Dna Substrates And An Incoming Nucleotide" . . . . . 93.13 352 100.00 100.00 7.61e-78 . . . . 17201 1 4 no PDB 1N48 . "Y-Family Dna Polymerase Dpo4 In Complex With Dna Containing Abasic Lesion" . . . . . 93.13 352 100.00 100.00 7.61e-78 . . . . 17201 1 5 no PDB 1N56 . "Y-Family Dna Polymerase Dpo4 In Complex With Dna Containing Abasic Lesion" . . . . . 93.13 352 100.00 100.00 7.61e-78 . . . . 17201 1 6 no PDB 1RYR . "Replication Of A Cis-Syn Thymine Dimer At Atomic Resolution" . . . . . 93.13 352 100.00 100.00 7.61e-78 . . . . 17201 1 7 no PDB 1RYS . "Replication Of A Cis-Syn Thymine Dimer At Atomic Resolution" . . . . . 93.13 352 100.00 100.00 7.61e-78 . . . . 17201 1 8 no PDB 1S0M . "Crystal Structure Of A Benzo[a]pyrene Diol Epoxide Adduct In A Ternary Complex With A Dna Polymerase" . . . . . 93.13 352 100.00 100.00 7.61e-78 . . . . 17201 1 9 no PDB 1S0N . "Snapshots Of Replication Through An Abasic Lesion: Structural Basis For Base Substitution And Frameshift" . . . . . 93.13 352 100.00 100.00 7.61e-78 . . . . 17201 1 10 no PDB 1S0O . "Snapshots Of Replication Through An Abasic Lesion: Structural Basis For Base Substitution And Frameshift" . . . . . 93.13 352 100.00 100.00 7.61e-78 . . . . 17201 1 11 no PDB 1S10 . "Snapshots Of Replication Through An Abasic Lesion: Structural Basis For Base Substitution And Frameshift" . . . . . 93.13 352 100.00 100.00 7.61e-78 . . . . 17201 1 12 no PDB 1S97 . "Dpo4 With Gt Mismatch" . . . . . 93.13 352 100.00 100.00 7.61e-78 . . . . 17201 1 13 no PDB 1S9F . "Dpo With At Matched" . . . . . 93.13 352 100.00 100.00 7.61e-78 . . . . 17201 1 14 no PDB 2AGO . "Fidelity Of Dpo4: Effect Of Metal Ions, Nucleotide Selection And Pyrophosphorolysis" . . . . . 84.73 341 100.00 100.00 8.26e-69 . . . . 17201 1 15 no PDB 2AGP . "Fidelity Of Dpo4: Effect Of Metal Ions, Nucleotide Selection And Pyrophosphorolysis" . . . . . 84.73 341 100.00 100.00 8.26e-69 . . . . 17201 1 16 no PDB 2AGQ . "Fidelity Of Dpo4: Effect Of Metal Ions, Nucleotide Selection And Pyrophosphorolysis" . . . . . 84.73 341 100.00 100.00 8.26e-69 . . . . 17201 1 17 no PDB 2ASD . "Oxog-Modified Insertion Ternary Complex" . . . . . 93.13 360 100.00 100.00 1.79e-77 . . . . 17201 1 18 no PDB 2ASJ . "Oxog-Modified Preinsertion Binary Complex" . . . . . 93.13 360 100.00 100.00 1.79e-77 . . . . 17201 1 19 no PDB 2ASL . "Oxog-Modified Postinsertion Binary Complex" . . . . . 93.13 360 100.00 100.00 1.79e-77 . . . . 17201 1 20 no PDB 2ATL . "Unmodified Insertion Ternary Complex" . . . . . 93.13 360 100.00 100.00 1.79e-77 . . . . 17201 1 21 no PDB 2AU0 . "Unmodified Preinsertion Binary Complex" . . . . . 93.13 360 100.00 100.00 1.79e-77 . . . . 17201 1 22 no PDB 2BQ3 . "Dna Adduct Bypass Polymerization By Sulfolobus Solfataricus Dpo4. Analysis And Crystal Structures Of Multiple Base- Pair Substi" . . . . . 93.13 358 100.00 100.00 3.45e-77 . . . . 17201 1 23 no PDB 2BQR . "Dna Adduct Bypass Polymerization By Sulfolobus Solfataricus Dpo4. Analysis And Crystal Structures Of Multiple Base- Pair Substi" . . . . . 93.13 358 100.00 100.00 3.45e-77 . . . . 17201 1 24 no PDB 2BQU . "Dna Adduct Bypass Polymerization By Sulfolobus Solfataricus Dpo4. Analysis And Crystal Structures Of Multiple Base- Pair Substi" . . . . . 93.13 358 100.00 100.00 3.45e-77 . . . . 17201 1 25 no PDB 2BR0 . "Dna Adduct Bypass Polymerization By Sulfolobus Solfataricus Dpo4. Analysis And Crystal Structures Of Multiple Base- Pair Substi" . . . . . 93.13 358 100.00 100.00 3.45e-77 . . . . 17201 1 26 no PDB 2C22 . "Efficient And High Fidelity Incorporation Of Dctp Opposite 7,8-Dihydro-8-Oxodeoxyguanosine By Sulfolobus Solfataricus Dna Polym" . . . . . 93.13 358 100.00 100.00 3.45e-77 . . . . 17201 1 27 no PDB 2C28 . "Efficient And High Fidelity Incorporation Of Dctp Opposite 7,8-Dihydro-8-Oxodeoxyguanosine By Sulfolobus Solfataricus Dna Polym" . . . . . 93.13 358 100.00 100.00 3.45e-77 . . . . 17201 1 28 no PDB 2C2D . "Efficient And High Fidelity Incorporation Of Dctp Opposite 7,8-dihydro-8-oxodeoxyguanosine By Sulfolobus Solfataricus Dna Polym" . . . . . 93.13 358 100.00 100.00 3.45e-77 . . . . 17201 1 29 no PDB 2C2E . "Efficient And High Fidelity Incorporation Of Dctp Opposite 7,8-Dihydro-8-Oxodeoxyguanosine By Sulfolobus Solfataricus Dna Polym" . . . . . 93.13 358 100.00 100.00 3.45e-77 . . . . 17201 1 30 no PDB 2C2R . "Efficient And High Fidelity Incorporation Of Dctp Opposite 7,8-Dihydro-8-Oxodeoxyguanosine By Sulfolobus Solfataricus Dna Polym" . . . . . 93.13 358 100.00 100.00 3.45e-77 . . . . 17201 1 31 no PDB 2IA6 . "Bypass Of Major Benzopyrene-Dg Adduct By Y-Family Dna Polymerase With Unique Structural Gap" . . . . . 93.13 352 100.00 100.00 7.61e-78 . . . . 17201 1 32 no PDB 2IBK . "Bypass Of Major Benzopyrene-Dg Adduct By Y-Family Dna Polymerase With Unique Structural Gap" . . . . . 93.13 352 100.00 100.00 7.61e-78 . . . . 17201 1 33 no PDB 2IMW . "Mechanism Of Template-Independent Nucleotide Incorporation Catalyzed By A Template-Dependent Dna Polymerase" . . . . . 90.08 348 100.00 100.00 4.12e-74 . . . . 17201 1 34 no PDB 2J6S . "Ternary Complex Of Sulfolobus Solfataricus Dpo4 Dna Polymerase, O6-Methylguanine Modified Dna, And Datp." . . . . . 93.13 358 100.00 100.00 3.45e-77 . . . . 17201 1 35 no PDB 2J6T . "Ternary Complex Of Sulfolobus Solfataricus Dpo4 Dna Polymerase, O6-Methylguanine Modified Dna, And Datp." . . . . . 93.13 358 100.00 100.00 3.45e-77 . . . . 17201 1 36 no PDB 2J6U . "Ternary Complex Of Sulfolobus Solfataricus Dpo4 Dna Polymerase, O6-methylguanine Modified Dna, And Dgtp." . . . . . 93.13 358 100.00 100.00 3.45e-77 . . . . 17201 1 37 no PDB 2JEF . "The Molecular Basis Of Selectivity Of Nucleotide Triphosphate Incorporation Opposite O6-benzylguanine By Sulfolobus Solfataricu" . . . . . 93.13 358 100.00 100.00 3.45e-77 . . . . 17201 1 38 no PDB 2JEG . "The Molecular Basis Of Selectivity Of Nucleoside Triphosphate Incorporation Opposite O6-Benzylguanine By Sulfolobus Solfataricu" . . . . . 93.13 358 100.00 100.00 3.45e-77 . . . . 17201 1 39 no PDB 2JEI . "The Molecular Basis Of Selectivity Of Nucleoside Triphosphate Incorporation Opposite O6-benzylguanine By Sulfolobus Solfataricu" . . . . . 93.13 358 100.00 100.00 3.45e-77 . . . . 17201 1 40 no PDB 2JEJ . "The Molecular Basis Of Selectivity Of Nucleoside Triphosphate Incorporation Opposite O6-Benzylguanine By Sulfolobus Solfataricu" . . . . . 93.13 358 100.00 100.00 3.45e-77 . . . . 17201 1 41 no PDB 2R8G . "Selectivity Of Nucleoside Triphosphate Incorporation Opposite 1,N2-Propanodeoxyguanosine (Pdg) By The Sulfolobus Solfataricus D" . . . . . 93.13 352 100.00 100.00 7.61e-78 . . . . 17201 1 42 no PDB 2R8H . "Selectivity Of Nucleoside Triphosphate Incorporation Opposite 1,N2- Propanodeoxyguanosine (Pdg) By The Sulfolobus Solfataricus " . . . . . 93.13 352 100.00 100.00 7.61e-78 . . . . 17201 1 43 no PDB 2R8I . "Selectivity Of Nucleoside Triphosphate Incorporation Opposite 1,N2-Propanodeoxyguanosine (Pdg) By The Sulfolobus Solfataricus D" . . . . . 93.13 352 100.00 100.00 7.61e-78 . . . . 17201 1 44 no PDB 2RDI . "Snapshots Of A Y-family Dna Polymerase In Replication: Dpo4 In Apo And Binary/ternary Complex Forms" . . . . . 84.73 342 100.00 100.00 8.04e-69 . . . . 17201 1 45 no PDB 2RDJ . "Snapshots Of A Y-family Dna Polymerase In Replication: Dpo4 In Apo And Binary/ternary Complex Forms" . . . . . 93.13 352 100.00 100.00 7.61e-78 . . . . 17201 1 46 no PDB 2UVR . "Crystal Structures Of Mutant Dpo4 Dna Polymerases With 8- Oxog Containing Dna Template-Primer Constructs" . . . . . 93.13 358 99.18 99.18 2.52e-76 . . . . 17201 1 47 no PDB 2UVU . "Crystal Structures Of Mutant Dpo4 Dna Polymerases With 8- Oxog Containing Dna Template-Primer Constructs" . . . . . 93.13 358 99.18 99.18 2.52e-76 . . . . 17201 1 48 no PDB 2UVV . "Crystal Structures Of Mutant Dpo4 Dna Polymerases With 8- Oxog Containing Dna Template-Primer Constructs" . . . . . 93.13 358 99.18 99.18 2.17e-76 . . . . 17201 1 49 no PDB 2UVW . "Crystal Structures Of Mutant Dpo4 Dna Polymerases With 8- Oxog Containing Dna Template-Primer Constructs" . . . . . 93.13 358 99.18 99.18 2.17e-76 . . . . 17201 1 50 no PDB 2V4Q . "Post-Insertion Complex Of The Y-Family Dna Polymerase Dpo4 With M1dg Containing Template Dna" . . . . . 93.13 358 100.00 100.00 3.45e-77 . . . . 17201 1 51 no PDB 2V4R . "Non-Productive Complex Of The Y-Family Dna Polymerase Dpo4 With Dgtp Skipping The M1dg Adduct To Pair With The Next Template Cy" . . . . . 93.13 358 100.00 100.00 3.45e-77 . . . . 17201 1 52 no PDB 2V9W . "Complex Structure Of Sulfolobus Solfataricus Dpo4 And Dna Duplex Containing A Hydrophobic Thymine Isostere 2,4- Difluorotoluene" . . . . . 93.13 358 100.00 100.00 3.45e-77 . . . . 17201 1 53 no PDB 2VA2 . "Complex Structure Of Sulfolobus Solfataricus Dpo4 And Dna Duplex Containing A Hydrophobic Thymine Isostere 2,4- Difluorotoluene" . . . . . 93.13 358 100.00 100.00 3.45e-77 . . . . 17201 1 54 no PDB 2VA3 . "Complex Structure Of Sulfolobus Solfataricus Dpo4 And Dna Duplex Containing A Hydrophobic Thymine Isostere 2,4- Difluorotoluene" . . . . . 93.13 358 100.00 100.00 3.45e-77 . . . . 17201 1 55 no PDB 2W8K . "Y-Family Dna Polymerase Dpo4 Bypassing N2-Naphthyl-Guanine Adduct In Syn Orientation" . . . . . 93.13 358 100.00 100.00 3.45e-77 . . . . 17201 1 56 no PDB 2W8L . "Y-Family Dna Polymerase Dpo4 Bypassing N2-Naphthyl-Guanine Adduct In Anti Orientation" . . . . . 93.13 358 100.00 100.00 3.45e-77 . . . . 17201 1 57 no PDB 2W9A . "Ternary Complex Of Dpo4 Bound To N2,N2-Dimethyl- Deoxyguanosine Modified Dna With Incoming Dgtp" . . . . . 93.13 358 100.00 100.00 3.45e-77 . . . . 17201 1 58 no PDB 2W9B . "Binary Complex Of Dpo4 Bound To N2,N2-Dimethyl- Deoxyguanosine Modified Dna" . . . . . 93.13 358 100.00 100.00 3.45e-77 . . . . 17201 1 59 no PDB 2W9C . "Ternary Complex Of Dpo4 Bound To N2,N2-Dimethyl- Deoxyguanosine Modified Dna With Incoming Dttp" . . . . . 93.13 358 100.00 100.00 3.45e-77 . . . . 17201 1 60 no PDB 2XC9 . "Binary Complex Of Sulfolobus Solfataricus Dpo4 Dna Polymerase And 1,N2-Ethenoguanine Modified Dna, Magnesium Form" . . . . . 93.13 358 100.00 100.00 3.45e-77 . . . . 17201 1 61 no PDB 2XCA . "Ternary Complex Of Sulfolobus Solfataricus Dpo4 Dna Polymerase, 7,8-Dihydro-8-Oxodeoxyguanine Modified Dna And Dgtp - Magnesium" . . . . . 93.13 358 100.00 100.00 3.45e-77 . . . . 17201 1 62 no PDB 2XCP . "Ternary Complex Of Sulfolobus Solfataricus Dpo4 Dna Polymerase, 7,8-Dihydro-8-Oxodeoxyguanine Modified Dna And Dctp - Magnesium" . . . . . 93.13 358 100.00 100.00 3.45e-77 . . . . 17201 1 63 no PDB 3FDS . "Structural Insight Into Recruitment Of Translesion Dna Polymerase Dpo4 To Sliding Clamp Pcna" . . . . . 93.13 352 100.00 100.00 7.61e-78 . . . . 17201 1 64 no PDB 3GII . "Dpo4 Extension Ternary Complex With Disordered A Opposite An Oxog In Anti Conformation" . . . . . 84.73 341 100.00 100.00 9.10e-69 . . . . 17201 1 65 no PDB 3GIJ . "Dpo4 Extension Ternary Complex With Oxog(Syn)-A(Anti) And Oxog(Anti)- A(Syn) Pairs" . . . . . 84.73 341 100.00 100.00 9.10e-69 . . . . 17201 1 66 no PDB 3GIK . "Dpo4 Extension Ternary Complex With The Oxog(Anti)-C(Anti) Pair" . . . . . 84.73 341 100.00 100.00 9.10e-69 . . . . 17201 1 67 no PDB 3GIL . "Dpo4 Extension Ternary Complex With Oxog(Anti)-T(Anti) Pair" . . . . . 84.73 341 100.00 100.00 9.10e-69 . . . . 17201 1 68 no PDB 3GIM . "Dpo4 Extension Ternary Complex With Oxog(Anti)-G(Syn) Pair" . . . . . 84.73 341 100.00 100.00 9.10e-69 . . . . 17201 1 69 no PDB 3KHG . "Dpo4 Extension Ternary Complex With Misinserted A Opposite The 2- Aminofluorene-Guanine [af]g Lesion" . . . . . 84.73 341 100.00 100.00 9.10e-69 . . . . 17201 1 70 no PDB 3KHH . "Dpo4 Extension Ternary Complex With A C Base Opposite The 2- Aminofluorene-Guanine [af]g Lesion" . . . . . 84.73 341 100.00 100.00 9.10e-69 . . . . 17201 1 71 no PDB 3KHL . "Dpo4 Post-Extension Ternary Complex With Misinserted A Opposite The 2- Aminofluorene-Guanine [af]g Lesion" . . . . . 84.73 341 100.00 100.00 9.10e-69 . . . . 17201 1 72 no PDB 3KHR . "Dpo4 Post-Extension Ternary Complex With The Correct C Opposite The 2- Aminofluorene-Guanine [af]g Lesion" . . . . . 84.73 341 100.00 100.00 9.10e-69 . . . . 17201 1 73 no PDB 3M9M . "Crystal Structure Of Dpo4 In Complex With Dna Containing The Major Cisplatin Lesion" . . . . . 93.13 352 100.00 100.00 7.61e-78 . . . . 17201 1 74 no PDB 3M9N . "Crystal Structure Of Dpo4 In Complex With Dna Containing The Major Cisplatin Lesion" . . . . . 93.13 352 100.00 100.00 7.61e-78 . . . . 17201 1 75 no PDB 3M9O . "Crystal Structure Of Dpo4 In Complex With Dna Containing The Major Cisplatin Lesion" . . . . . 93.13 352 100.00 100.00 7.61e-78 . . . . 17201 1 76 no PDB 3PR4 . "Dpo4 Y12a Mutant Incorporating Dadp Opposite Template Dt" . . . . . 84.73 341 100.00 100.00 6.87e-69 . . . . 17201 1 77 no PDB 3PR5 . "Dpo4 Y12a Mutant Incorporating Adp Opposite Template Dt" . . . . . 84.73 341 100.00 100.00 6.87e-69 . . . . 17201 1 78 no PDB 3PVX . "Binary Complex Of Aflatoxin B1 Adduct Modified Dna (Afb1-Fapy) With Dna Polymerase Iv" . . . . . 84.73 347 100.00 100.00 2.63e-68 . . . . 17201 1 79 no PDB 3PW0 . "Ternary Complex Of Aflatoxin B1 Adduct Modified Dna (Afb1-Fapy) With Dna Polymerase Iv And Incoming Datp" . . . . . 84.73 347 100.00 100.00 2.63e-68 . . . . 17201 1 80 no PDB 3PW2 . "Ternary Complex Of Aflatoxin B1 Adduct Modified Dna (Afb1-Fapy) With Dna Polymerase Iv And Incoming Dttp" . . . . . 84.73 347 100.00 100.00 2.63e-68 . . . . 17201 1 81 no PDB 3PW4 . "Ternary Complex Of Aflatoxin B1 Adduct Modified Dna (Afb1-N7-Gua) With Dna Polymerase Iv And Incoming Datp" . . . . . 84.73 347 100.00 100.00 2.63e-68 . . . . 17201 1 82 no PDB 3PW5 . "Ternary Complex Of Aflatoxin B1 Adduct Modified Dna (Afb1-N7-Gua) With Dna Polymerase Iv And Incoming Dttp" . . . . . 84.73 347 100.00 100.00 2.63e-68 . . . . 17201 1 83 no PDB 3PW7 . "Ternary Complex Of Aflatoxin B1 Adduct Modified Dna (Afb1-N7-Gua) With Dna Polymerase Iv And Incoming Dctp" . . . . . 84.73 347 100.00 100.00 2.63e-68 . . . . 17201 1 84 no PDB 3QZ7 . "T-3 Ternary Complex Of Dpo4" . . . . . 99.24 360 98.46 98.46 5.65e-83 . . . . 17201 1 85 no PDB 3QZ8 . "Tt-4 Ternary Complex Of Dpo4" . . . . . 99.24 360 98.46 98.46 5.65e-83 . . . . 17201 1 86 no PDB 3RAQ . "Dpo4 Extension Ternary Complex With 3'-terminal Primer C Base Opposite The 1-methylguanine (mg1) Lesion" . . . . . 84.73 341 100.00 100.00 9.10e-69 . . . . 17201 1 87 no PDB 3RAX . "Dpo4 Extension Ternary Complex With 3'-terminal Primer T Base Opposite The 1-methylguanine (m1g) Lesion" . . . . . 84.73 341 100.00 100.00 9.10e-69 . . . . 17201 1 88 no PDB 3RB0 . "Dpo4 Extension Ternary Complex With 3'-terminal Primer G Base Opposite The 1-methylguanine (m1g) Lesion" . . . . . 84.73 341 100.00 100.00 9.10e-69 . . . . 17201 1 89 no PDB 3RB3 . "Dpo4 Extension Ternary Complex With 3'-terminal Primer A Base Opposite The 1-methylguanine (m1g) Lesion" . . . . . 84.73 341 100.00 100.00 9.10e-69 . . . . 17201 1 90 no PDB 3RB4 . "Dpo4 Extension Ternary Complex With 3'-terminal Primer G Base Opposite The 3-methylcytosine (m3c) Lesion" . . . . . 84.73 341 100.00 100.00 9.10e-69 . . . . 17201 1 91 no PDB 3RB6 . "Dpo4 Extension Ternary Complex With 3'-terminal Primer A Base Opposite The 3-methylcytosine (m3c) Lesion" . . . . . 84.73 341 100.00 100.00 9.10e-69 . . . . 17201 1 92 no PDB 3RBD . "Dpo4 Extension Ternary Complex With 3'-terminal Primer C Base Opposite The 3-methylcytosine (m3c) Lesion" . . . . . 84.73 341 100.00 100.00 9.10e-69 . . . . 17201 1 93 no PDB 3RBE . "Dpo4 Extension Ternary Complex With 3'-terminal Primer T Base Opposite The 3-methylcytosine (m3c) Lesion" . . . . . 84.73 341 100.00 100.00 9.10e-69 . . . . 17201 1 94 no PDB 3T5H . "Ternary Complex Of Hne Adduct Modified Dna (5'-Cxg-3' Vs 13-Mer) With Dpo4 And Incoming Ddgt" . . . . . 84.73 341 100.00 100.00 8.26e-69 . . . . 17201 1 95 no PDB 3T5J . "Ternary Complex Of Hne Adduct Modified Dna (5'-Txg-3' Vs 13-Mer) With Dpo4 And Incoming Ddtp" . . . . . 84.73 341 100.00 100.00 8.26e-69 . . . . 17201 1 96 no PDB 3T5K . "Ternary Complex Of Hne Adduct Modified Dna (5'-Txg-3' Vs 14-Mer) With Dpo4 And Incoming Ddtp" . . . . . 84.73 341 100.00 100.00 8.26e-69 . . . . 17201 1 97 no PDB 3T5L . "Ternary Complex Of Hne Adduct Modified Dna (5'-Cxg-3' Vs 14-Mer) With Dpo4 And Incoming Ddgt" . . . . . 84.73 341 100.00 100.00 8.26e-69 . . . . 17201 1 98 no PDB 3V6H . "Replication Of N2,3-Ethenoguanine By Dna Polymerases" . . . . . 85.50 348 100.00 100.00 5.47e-69 . . . . 17201 1 99 no PDB 3V6J . "Replication Of N2,3-Ethenoguanine By Dna Polymerases" . . . . . 85.50 348 100.00 100.00 5.47e-69 . . . . 17201 1 100 no PDB 3V6K . "Replication Of N2,3-Ethenoguanine By Dna Polymerases" . . . . . 85.50 347 100.00 100.00 4.07e-69 . . . . 17201 1 101 no PDB 4F4W . "Y-family Dna Polymerase Chimera Dbh-dpo4-dpo4 #1" . . . . . 99.24 361 98.46 98.46 4.12e-83 . . . . 17201 1 102 no PDB 4F4X . "Y-family Dna Polymerase Chimera Dbh-dpo4-dpo4 #2" . . . . . 99.24 361 98.46 98.46 4.12e-83 . . . . 17201 1 103 no PDB 4FBT . "Dpo4 Post-insertion Complex With The N-(deoxyguanosin-8-yl)-1- Aminopyrene Lesion" . . . . . 84.73 341 100.00 100.00 8.26e-69 . . . . 17201 1 104 no PDB 4FBU . "Dpo4 Polymerase Pre-insertion Binary Complex With The N- (deoxyguanosin-8-yl)-1-aminopyrene Lesion" . . . . . 84.73 341 100.00 100.00 8.26e-69 . . . . 17201 1 105 no PDB 4G3I . "Crystal Structure Of Dpo4 In Complex With Dna Duplex" . . . . . 84.73 342 100.00 100.00 7.96e-69 . . . . 17201 1 106 no PDB 4GC6 . "Crystal Structure Of Dpo4 In Complex With N-mc-damp Opposite Dt" . . . . . 93.13 358 100.00 100.00 3.45e-77 . . . . 17201 1 107 no PDB 4GC7 . "Crystal Structure Of Dpo4 In Complex With S-mc-dadp Opposite Dt" . . . . . 93.13 359 100.00 100.00 4.55e-77 . . . . 17201 1 108 no PDB 4JUZ . "Ternary Complex Of Gamma-ohpdg Adduct Modified Dna (zero Primer) With Dna Polymerase Iv And Incoming Dgtp" . . . . . 84.73 347 100.00 100.00 2.63e-68 . . . . 17201 1 109 no PDB 4JV0 . "Ring-opening Of The -oh-pdg Adduct In Ternary Complexes With The Sulfolobus Solfataricus Dna Polymerase Dpo4" . . . . . 84.73 347 100.00 100.00 2.63e-68 . . . . 17201 1 110 no PDB 4JV1 . "Ternary Complex Of Gamma-ohpdg Adduct Modified Dna With Dna (-1 Primer) Polymerase Iv And Incoming Dgtp" . . . . . 84.73 347 100.00 100.00 2.63e-68 . . . . 17201 1 111 no PDB 4JV2 . "Ternary Complex Of Gamma-ohpdg Adduct Modified Dna With Dna (-1 Primer) Polymerase Iv And Incoming Datp" . . . . . 84.73 347 100.00 100.00 2.63e-68 . . . . 17201 1 112 no PDB 4QWB . "Crystal Structure Of Dpo4 Linker Region P236a Mutant With An Incoming D-dcdp" . . . . . 86.26 343 99.12 99.12 4.57e-69 . . . . 17201 1 113 no PDB 4QWC . "Ternary Crystal Structures Of A Y-family Dna Polymerase Dpo4 From Sulfolobus Solfataricus In Complex With Dna And L-dcdp" . . . . . 86.26 343 100.00 100.00 2.62e-70 . . . . 17201 1 114 no PDB 4RUA . "Crystal Structure Of Y-family Dna Polymerase Dpo4 Bypassing A Mefapy- Dg Adduct" . . . . . 84.73 341 100.00 100.00 8.26e-69 . . . . 17201 1 115 no PDB 4RUC . "Crystal Structure Of Y-family Dna Polymerase Dpo4 Extending From A Mefapy-dg:dc Pair" . . . . . 84.73 341 100.00 100.00 8.26e-69 . . . . 17201 1 116 no PDB 4RZR . "Bypass Of A Bulky Adduct Dg1,8 By Dpo4" . . . . . 93.13 352 100.00 100.00 7.61e-78 . . . . 17201 1 117 no PDB 4TQR . "Ternary Complex Of Y-family Dna Polymerase Dpo4 With (5's)-8,5'-cyclo- 2'-deoxyguanosine And Dttp" . . . . . 85.50 342 100.00 100.00 1.94e-69 . . . . 17201 1 118 no PDB 4TQS . "Ternary Complex Of Y-family Dna Polymerase Dpo4 With (5's)-8,5'-cyclo- 2'-deoxyguanosine And Dctp" . . . . . 93.13 358 100.00 100.00 3.45e-77 . . . . 17201 1 119 no GB AAK42588 . "DNA polymerase IV (family Y) (dpo4) [Sulfolobus solfataricus P2]" . . . . . 93.13 352 100.00 100.00 7.61e-78 . . . . 17201 1 120 no GB ABA03150 . "chimeric Dpo4 [synthetic construct]" . . . . . 93.13 353 100.00 100.00 2.80e-77 . . . . 17201 1 121 no GB ACX90547 . "DNA-directed DNA polymerase [Sulfolobus solfataricus 98/2]" . . . . . 93.13 352 100.00 100.00 7.61e-78 . . . . 17201 1 122 no GB AKA72680 . "DNA polymerase IV [Sulfolobus solfataricus]" . . . . . 93.13 352 100.00 100.00 7.61e-78 . . . . 17201 1 123 no GB AKA75380 . "DNA polymerase IV [Sulfolobus solfataricus]" . . . . . 93.13 352 100.00 100.00 7.61e-78 . . . . 17201 1 124 no REF WP_009993137 . "DNA polymerase IV [Sulfolobus solfataricus]" . . . . . 93.13 352 100.00 100.00 7.61e-78 . . . . 17201 1 125 no SP Q97W02 . "RecName: Full=DNA polymerase IV; Short=Pol IV" . . . . . 93.13 352 100.00 100.00 7.61e-78 . . . . 17201 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'DNA Repair Enzyme' 17201 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 1 230 MET . 17201 1 2 231 ASP . 17201 1 3 232 GLU . 17201 1 4 233 TYR . 17201 1 5 234 ASN . 17201 1 6 235 GLU . 17201 1 7 236 PRO . 17201 1 8 237 ILE . 17201 1 9 238 ARG . 17201 1 10 239 THR . 17201 1 11 240 ARG . 17201 1 12 241 VAL . 17201 1 13 242 ARG . 17201 1 14 243 LYS . 17201 1 15 244 SER . 17201 1 16 245 ILE . 17201 1 17 246 GLY . 17201 1 18 247 ARG . 17201 1 19 248 ILE . 17201 1 20 249 VAL . 17201 1 21 250 THR . 17201 1 22 251 MET . 17201 1 23 252 LYS . 17201 1 24 253 ARG . 17201 1 25 254 ASN . 17201 1 26 255 SER . 17201 1 27 256 ARG . 17201 1 28 257 ASN . 17201 1 29 258 LEU . 17201 1 30 259 GLU . 17201 1 31 260 GLU . 17201 1 32 261 ILE . 17201 1 33 262 LYS . 17201 1 34 263 PRO . 17201 1 35 264 TYR . 17201 1 36 265 LEU . 17201 1 37 266 PHE . 17201 1 38 267 ARG . 17201 1 39 268 ALA . 17201 1 40 269 ILE . 17201 1 41 270 GLU . 17201 1 42 271 GLU . 17201 1 43 272 SER . 17201 1 44 273 TYR . 17201 1 45 274 TYR . 17201 1 46 275 LYS . 17201 1 47 276 LEU . 17201 1 48 277 ASP . 17201 1 49 278 LYS . 17201 1 50 279 ARG . 17201 1 51 280 ILE . 17201 1 52 281 PRO . 17201 1 53 282 LYS . 17201 1 54 283 ALA . 17201 1 55 284 ILE . 17201 1 56 285 HIS . 17201 1 57 286 VAL . 17201 1 58 287 VAL . 17201 1 59 288 ALA . 17201 1 60 289 VAL . 17201 1 61 290 THR . 17201 1 62 291 GLU . 17201 1 63 292 ASP . 17201 1 64 293 LEU . 17201 1 65 294 ASP . 17201 1 66 295 ILE . 17201 1 67 296 VAL . 17201 1 68 297 SER . 17201 1 69 298 ARG . 17201 1 70 299 GLY . 17201 1 71 300 ARG . 17201 1 72 301 THR . 17201 1 73 302 PHE . 17201 1 74 303 PRO . 17201 1 75 304 HIS . 17201 1 76 305 GLY . 17201 1 77 306 ILE . 17201 1 78 307 SER . 17201 1 79 308 LYS . 17201 1 80 309 GLU . 17201 1 81 310 THR . 17201 1 82 311 ALA . 17201 1 83 312 TYR . 17201 1 84 313 SER . 17201 1 85 314 GLU . 17201 1 86 315 SER . 17201 1 87 316 VAL . 17201 1 88 317 LYS . 17201 1 89 318 LEU . 17201 1 90 319 LEU . 17201 1 91 320 GLN . 17201 1 92 321 LYS . 17201 1 93 322 ILE . 17201 1 94 323 LEU . 17201 1 95 324 GLU . 17201 1 96 325 GLU . 17201 1 97 326 ASP . 17201 1 98 327 GLU . 17201 1 99 328 ARG . 17201 1 100 329 LYS . 17201 1 101 330 ILE . 17201 1 102 331 ARG . 17201 1 103 332 ARG . 17201 1 104 333 ILE . 17201 1 105 334 GLY . 17201 1 106 335 VAL . 17201 1 107 336 ARG . 17201 1 108 337 PHE . 17201 1 109 338 SER . 17201 1 110 339 LYS . 17201 1 111 340 PHE . 17201 1 112 341 ILE . 17201 1 113 342 GLU . 17201 1 114 343 ALA . 17201 1 115 344 ILE . 17201 1 116 345 GLY . 17201 1 117 346 LEU . 17201 1 118 347 ASP . 17201 1 119 348 LYS . 17201 1 120 349 PHE . 17201 1 121 350 PHE . 17201 1 122 351 ASP . 17201 1 123 352 THR . 17201 1 124 353 LEU . 17201 1 125 354 GLU . 17201 1 126 355 HIS . 17201 1 127 356 HIS . 17201 1 128 357 HIS . 17201 1 129 358 HIS . 17201 1 130 359 HIS . 17201 1 131 360 HIS . 17201 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17201 1 . ASP 2 2 17201 1 . GLU 3 3 17201 1 . TYR 4 4 17201 1 . ASN 5 5 17201 1 . GLU 6 6 17201 1 . PRO 7 7 17201 1 . ILE 8 8 17201 1 . ARG 9 9 17201 1 . THR 10 10 17201 1 . ARG 11 11 17201 1 . VAL 12 12 17201 1 . ARG 13 13 17201 1 . LYS 14 14 17201 1 . SER 15 15 17201 1 . ILE 16 16 17201 1 . GLY 17 17 17201 1 . ARG 18 18 17201 1 . ILE 19 19 17201 1 . VAL 20 20 17201 1 . THR 21 21 17201 1 . MET 22 22 17201 1 . LYS 23 23 17201 1 . ARG 24 24 17201 1 . ASN 25 25 17201 1 . SER 26 26 17201 1 . ARG 27 27 17201 1 . ASN 28 28 17201 1 . LEU 29 29 17201 1 . GLU 30 30 17201 1 . GLU 31 31 17201 1 . ILE 32 32 17201 1 . LYS 33 33 17201 1 . PRO 34 34 17201 1 . TYR 35 35 17201 1 . LEU 36 36 17201 1 . PHE 37 37 17201 1 . ARG 38 38 17201 1 . ALA 39 39 17201 1 . ILE 40 40 17201 1 . GLU 41 41 17201 1 . GLU 42 42 17201 1 . SER 43 43 17201 1 . TYR 44 44 17201 1 . TYR 45 45 17201 1 . LYS 46 46 17201 1 . LEU 47 47 17201 1 . ASP 48 48 17201 1 . LYS 49 49 17201 1 . ARG 50 50 17201 1 . ILE 51 51 17201 1 . PRO 52 52 17201 1 . LYS 53 53 17201 1 . ALA 54 54 17201 1 . ILE 55 55 17201 1 . HIS 56 56 17201 1 . VAL 57 57 17201 1 . VAL 58 58 17201 1 . ALA 59 59 17201 1 . VAL 60 60 17201 1 . THR 61 61 17201 1 . GLU 62 62 17201 1 . ASP 63 63 17201 1 . LEU 64 64 17201 1 . ASP 65 65 17201 1 . ILE 66 66 17201 1 . VAL 67 67 17201 1 . SER 68 68 17201 1 . ARG 69 69 17201 1 . GLY 70 70 17201 1 . ARG 71 71 17201 1 . THR 72 72 17201 1 . PHE 73 73 17201 1 . PRO 74 74 17201 1 . HIS 75 75 17201 1 . GLY 76 76 17201 1 . ILE 77 77 17201 1 . SER 78 78 17201 1 . LYS 79 79 17201 1 . GLU 80 80 17201 1 . THR 81 81 17201 1 . ALA 82 82 17201 1 . TYR 83 83 17201 1 . SER 84 84 17201 1 . GLU 85 85 17201 1 . SER 86 86 17201 1 . VAL 87 87 17201 1 . LYS 88 88 17201 1 . LEU 89 89 17201 1 . LEU 90 90 17201 1 . GLN 91 91 17201 1 . LYS 92 92 17201 1 . ILE 93 93 17201 1 . LEU 94 94 17201 1 . GLU 95 95 17201 1 . GLU 96 96 17201 1 . ASP 97 97 17201 1 . GLU 98 98 17201 1 . ARG 99 99 17201 1 . LYS 100 100 17201 1 . ILE 101 101 17201 1 . ARG 102 102 17201 1 . ARG 103 103 17201 1 . ILE 104 104 17201 1 . GLY 105 105 17201 1 . VAL 106 106 17201 1 . ARG 107 107 17201 1 . PHE 108 108 17201 1 . SER 109 109 17201 1 . LYS 110 110 17201 1 . PHE 111 111 17201 1 . ILE 112 112 17201 1 . GLU 113 113 17201 1 . ALA 114 114 17201 1 . ILE 115 115 17201 1 . GLY 116 116 17201 1 . LEU 117 117 17201 1 . ASP 118 118 17201 1 . LYS 119 119 17201 1 . PHE 120 120 17201 1 . PHE 121 121 17201 1 . ASP 122 122 17201 1 . THR 123 123 17201 1 . LEU 124 124 17201 1 . GLU 125 125 17201 1 . HIS 126 126 17201 1 . HIS 127 127 17201 1 . HIS 128 128 17201 1 . HIS 129 129 17201 1 . HIS 130 130 17201 1 . HIS 131 131 17201 1 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 17201 _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 $Dpo4 . 2287 organism . 'Sulfolobus solfataricus' 'Sulfolobus solfataricus' . . Archaea . Sulfolobus solfataricus P2 . . . . . . . . . . . . . . . dinP . . . . 17201 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 17201 _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 $Dpo4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET22b . . . 'Vector contains the gene for Dpo4.' . . 17201 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17201 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 Dpo4 '[U-100% 13C; U-100% 15N]' . . 1 $Dpo4 . . 0.4 . . mM . . . . 17201 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17201 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17201 1 4 NaCl 'natural abundance' . . . . . . . 80 200 mM . . . . 17201 1 5 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 17201 1 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 17201 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 . M 17201 1 pH 7.0 . pH 17201 1 pressure 1 . atm 17201 1 temperature 323 . K 17201 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 17201 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17201 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17201 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17201 _Software.ID 2 _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' . . 17201 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 17201 2 processing 17201 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17201 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17201 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17201 3 'data analysis' 17201 3 'peak picking' 17201 3 stop_ save_ save_MARS _Software.Sf_category software _Software.Sf_framecode MARS _Software.Entry_ID 17201 _Software.ID 4 _Software.Name MARS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Jung and Zweckstetter' . . 17201 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17201 4 'data analysis' 17201 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17201 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 17201 _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 DRX . 600 . . . 17201 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 17201 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17201 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17201 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17201 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17201 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17201 _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 C 13 water protons . . . . ppm 4.51 internal indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 17201 1 H 1 water protons . . . . ppm 4.51 internal direct 1 . . . 1 $entry_citation . . 1 $entry_citation 17201 1 N 15 water protons . . . . ppm 4.51 internal indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 17201 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 17201 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17201 1 2 '3D CBCA(CO)NH' . . . 17201 1 3 '3D HNCA' . . . 17201 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 1 1 MET CB C 13 31.087 0.200 1 . . . . . 230 MET CB . 17201 1 2 . 1 1 2 2 ASP H H 1 8.681 0.020 1 . . . . . 231 ASP H . 17201 1 3 . 1 1 2 2 ASP CA C 13 52.389 0.200 1 . . . . . 231 ASP CA . 17201 1 4 . 1 1 2 2 ASP CB C 13 42.378 0.200 1 . . . . . 231 ASP CB . 17201 1 5 . 1 1 2 2 ASP N N 15 120.538 0.200 1 . . . . . 231 ASP N . 17201 1 6 . 1 1 3 3 GLU H H 1 8.206 0.020 1 . . . . . 232 GLU H . 17201 1 7 . 1 1 3 3 GLU CA C 13 57.678 0.200 1 . . . . . 232 GLU CA . 17201 1 8 . 1 1 3 3 GLU CB C 13 29.953 0.200 1 . . . . . 232 GLU CB . 17201 1 9 . 1 1 3 3 GLU N N 15 113.546 0.200 1 . . . . . 232 GLU N . 17201 1 10 . 1 1 4 4 TYR H H 1 7.993 0.020 1 . . . . . 233 TYR H . 17201 1 11 . 1 1 4 4 TYR CA C 13 58.794 0.200 1 . . . . . 233 TYR CA . 17201 1 12 . 1 1 4 4 TYR N N 15 114.090 0.200 1 . . . . . 233 TYR N . 17201 1 13 . 1 1 5 5 ASN H H 1 7.969 0.020 1 . . . . . 234 ASN H . 17201 1 14 . 1 1 5 5 ASN CA C 13 54.821 0.200 1 . . . . . 234 ASN CA . 17201 1 15 . 1 1 5 5 ASN CB C 13 38.509 0.200 1 . . . . . 234 ASN CB . 17201 1 16 . 1 1 5 5 ASN N N 15 118.549 0.200 1 . . . . . 234 ASN N . 17201 1 17 . 1 1 6 6 GLU H H 1 7.999 0.020 1 . . . . . 235 GLU H . 17201 1 18 . 1 1 6 6 GLU CA C 13 55.745 0.200 1 . . . . . 235 GLU CA . 17201 1 19 . 1 1 6 6 GLU N N 15 121.191 0.200 1 . . . . . 235 GLU N . 17201 1 20 . 1 1 7 7 PRO CA C 13 66.589 0.200 1 . . . . . 236 PRO CA . 17201 1 21 . 1 1 7 7 PRO CB C 13 34.366 0.200 1 . . . . . 236 PRO CB . 17201 1 22 . 1 1 8 8 ILE H H 1 7.182 0.020 1 . . . . . 237 ILE H . 17201 1 23 . 1 1 8 8 ILE CA C 13 61.367 0.200 1 . . . . . 237 ILE CA . 17201 1 24 . 1 1 8 8 ILE CB C 13 40.064 0.200 1 . . . . . 237 ILE CB . 17201 1 25 . 1 1 8 8 ILE N N 15 115.251 0.200 1 . . . . . 237 ILE N . 17201 1 26 . 1 1 9 9 ARG H H 1 8.633 0.020 1 . . . . . 238 ARG H . 17201 1 27 . 1 1 9 9 ARG CA C 13 54.449 0.200 1 . . . . . 238 ARG CA . 17201 1 28 . 1 1 9 9 ARG CB C 13 35.544 0.200 1 . . . . . 238 ARG CB . 17201 1 29 . 1 1 9 9 ARG N N 15 125.071 0.200 1 . . . . . 238 ARG N . 17201 1 30 . 1 1 10 10 THR H H 1 8.131 0.020 1 . . . . . 239 THR H . 17201 1 31 . 1 1 10 10 THR CA C 13 61.640 0.200 1 . . . . . 239 THR CA . 17201 1 32 . 1 1 10 10 THR CB C 13 70.209 0.200 1 . . . . . 239 THR CB . 17201 1 33 . 1 1 10 10 THR N N 15 115.825 0.200 1 . . . . . 239 THR N . 17201 1 34 . 1 1 11 11 ARG H H 1 7.815 0.020 1 . . . . . 240 ARG H . 17201 1 35 . 1 1 11 11 ARG CA C 13 58.246 0.200 1 . . . . . 240 ARG CA . 17201 1 36 . 1 1 11 11 ARG N N 15 127.720 0.200 1 . . . . . 240 ARG N . 17201 1 37 . 1 1 12 12 VAL H H 1 8.942 0.020 1 . . . . . 241 VAL H . 17201 1 38 . 1 1 12 12 VAL CA C 13 62.769 0.200 1 . . . . . 241 VAL CA . 17201 1 39 . 1 1 12 12 VAL CB C 13 31.912 0.200 1 . . . . . 241 VAL CB . 17201 1 40 . 1 1 12 12 VAL N N 15 118.697 0.200 1 . . . . . 241 VAL N . 17201 1 41 . 1 1 13 13 ARG H H 1 8.707 0.020 1 . . . . . 242 ARG H . 17201 1 42 . 1 1 13 13 ARG CA C 13 57.614 0.200 1 . . . . . 242 ARG CA . 17201 1 43 . 1 1 13 13 ARG N N 15 122.911 0.200 1 . . . . . 242 ARG N . 17201 1 44 . 1 1 14 14 LYS H H 1 8.460 0.020 1 . . . . . 243 LYS H . 17201 1 45 . 1 1 14 14 LYS CA C 13 55.655 0.200 1 . . . . . 243 LYS CA . 17201 1 46 . 1 1 14 14 LYS CB C 13 33.503 0.200 1 . . . . . 243 LYS CB . 17201 1 47 . 1 1 14 14 LYS N N 15 123.064 0.200 1 . . . . . 243 LYS N . 17201 1 48 . 1 1 15 15 SER H H 1 8.779 0.020 1 . . . . . 244 SER H . 17201 1 49 . 1 1 15 15 SER CA C 13 58.028 0.200 1 . . . . . 244 SER CA . 17201 1 50 . 1 1 15 15 SER CB C 13 64.448 0.200 1 . . . . . 244 SER CB . 17201 1 51 . 1 1 15 15 SER N N 15 117.549 0.200 1 . . . . . 244 SER N . 17201 1 52 . 1 1 16 16 ILE H H 1 7.765 0.020 1 . . . . . 245 ILE H . 17201 1 53 . 1 1 16 16 ILE CA C 13 57.681 0.200 1 . . . . . 245 ILE CA . 17201 1 54 . 1 1 16 16 ILE N N 15 127.589 0.200 1 . . . . . 245 ILE N . 17201 1 55 . 1 1 17 17 GLY H H 1 8.604 0.020 1 . . . . . 246 GLY H . 17201 1 56 . 1 1 17 17 GLY CA C 13 47.680 0.200 1 . . . . . 246 GLY CA . 17201 1 57 . 1 1 17 17 GLY N N 15 105.768 0.200 1 . . . . . 246 GLY N . 17201 1 58 . 1 1 18 18 ARG H H 1 8.331 0.020 1 . . . . . 247 ARG H . 17201 1 59 . 1 1 18 18 ARG CA C 13 55.845 0.200 1 . . . . . 247 ARG CA . 17201 1 60 . 1 1 18 18 ARG N N 15 117.487 0.200 1 . . . . . 247 ARG N . 17201 1 61 . 1 1 19 19 ILE H H 1 8.767 0.020 1 . . . . . 248 ILE H . 17201 1 62 . 1 1 19 19 ILE CA C 13 62.366 0.200 1 . . . . . 248 ILE CA . 17201 1 63 . 1 1 19 19 ILE CB C 13 38.540 0.200 1 . . . . . 248 ILE CB . 17201 1 64 . 1 1 19 19 ILE N N 15 123.023 0.200 1 . . . . . 248 ILE N . 17201 1 65 . 1 1 20 20 VAL H H 1 7.466 0.020 1 . . . . . 249 VAL H . 17201 1 66 . 1 1 20 20 VAL CA C 13 61.918 0.200 1 . . . . . 249 VAL CA . 17201 1 67 . 1 1 20 20 VAL CB C 13 32.550 0.200 1 . . . . . 249 VAL CB . 17201 1 68 . 1 1 20 20 VAL N N 15 111.957 0.200 1 . . . . . 249 VAL N . 17201 1 69 . 1 1 21 21 THR H H 1 7.945 0.020 1 . . . . . 250 THR H . 17201 1 70 . 1 1 21 21 THR CA C 13 56.854 0.200 1 . . . . . 250 THR CA . 17201 1 71 . 1 1 21 21 THR CB C 13 70.556 0.200 1 . . . . . 250 THR CB . 17201 1 72 . 1 1 21 21 THR N N 15 116.928 0.200 1 . . . . . 250 THR N . 17201 1 73 . 1 1 22 22 MET H H 1 9.422 0.020 1 . . . . . 251 MET H . 17201 1 74 . 1 1 22 22 MET CA C 13 55.881 0.200 1 . . . . . 251 MET CA . 17201 1 75 . 1 1 22 22 MET N N 15 126.142 0.200 1 . . . . . 251 MET N . 17201 1 76 . 1 1 23 23 LYS H H 1 9.565 0.020 1 . . . . . 252 LYS H . 17201 1 77 . 1 1 23 23 LYS CA C 13 55.865 0.200 1 . . . . . 252 LYS CA . 17201 1 78 . 1 1 23 23 LYS N N 15 121.073 0.200 1 . . . . . 252 LYS N . 17201 1 79 . 1 1 24 24 ARG H H 1 8.445 0.020 1 . . . . . 253 ARG H . 17201 1 80 . 1 1 24 24 ARG CA C 13 57.332 0.200 1 . . . . . 253 ARG CA . 17201 1 81 . 1 1 24 24 ARG CB C 13 30.875 0.200 1 . . . . . 253 ARG CB . 17201 1 82 . 1 1 24 24 ARG N N 15 120.121 0.200 1 . . . . . 253 ARG N . 17201 1 83 . 1 1 25 25 ASN H H 1 8.313 0.020 1 . . . . . 254 ASN H . 17201 1 84 . 1 1 25 25 ASN CA C 13 53.885 0.200 1 . . . . . 254 ASN CA . 17201 1 85 . 1 1 25 25 ASN N N 15 123.914 0.200 1 . . . . . 254 ASN N . 17201 1 86 . 1 1 26 26 SER H H 1 7.855 0.020 1 . . . . . 255 SER H . 17201 1 87 . 1 1 26 26 SER CA C 13 58.213 0.200 1 . . . . . 255 SER CA . 17201 1 88 . 1 1 26 26 SER CB C 13 63.350 0.200 1 . . . . . 255 SER CB . 17201 1 89 . 1 1 26 26 SER N N 15 117.003 0.200 1 . . . . . 255 SER N . 17201 1 90 . 1 1 27 27 ARG H H 1 7.666 0.020 1 . . . . . 256 ARG H . 17201 1 91 . 1 1 27 27 ARG CA C 13 57.092 0.200 1 . . . . . 256 ARG CA . 17201 1 92 . 1 1 27 27 ARG CB C 13 30.047 0.200 1 . . . . . 256 ARG CB . 17201 1 93 . 1 1 27 27 ARG N N 15 116.243 0.200 1 . . . . . 256 ARG N . 17201 1 94 . 1 1 28 28 ASN H H 1 7.797 0.020 1 . . . . . 257 ASN H . 17201 1 95 . 1 1 28 28 ASN CA C 13 53.420 0.200 1 . . . . . 257 ASN CA . 17201 1 96 . 1 1 28 28 ASN CB C 13 37.027 0.200 1 . . . . . 257 ASN CB . 17201 1 97 . 1 1 28 28 ASN N N 15 115.792 0.200 1 . . . . . 257 ASN N . 17201 1 98 . 1 1 29 29 LEU H H 1 8.983 0.020 1 . . . . . 258 LEU H . 17201 1 99 . 1 1 29 29 LEU CA C 13 59.943 0.200 1 . . . . . 258 LEU CA . 17201 1 100 . 1 1 29 29 LEU CB C 13 43.160 0.200 1 . . . . . 258 LEU CB . 17201 1 101 . 1 1 29 29 LEU N N 15 121.596 0.200 1 . . . . . 258 LEU N . 17201 1 102 . 1 1 30 30 GLU H H 1 8.733 0.020 1 . . . . . 259 GLU H . 17201 1 103 . 1 1 30 30 GLU CA C 13 59.709 0.200 1 . . . . . 259 GLU CA . 17201 1 104 . 1 1 30 30 GLU CB C 13 28.647 0.200 1 . . . . . 259 GLU CB . 17201 1 105 . 1 1 30 30 GLU N N 15 115.551 0.200 1 . . . . . 259 GLU N . 17201 1 106 . 1 1 31 31 GLU H H 1 7.375 0.020 1 . . . . . 260 GLU H . 17201 1 107 . 1 1 31 31 GLU CA C 13 59.067 0.200 1 . . . . . 260 GLU CA . 17201 1 108 . 1 1 31 31 GLU N N 15 118.283 0.200 1 . . . . . 260 GLU N . 17201 1 109 . 1 1 32 32 ILE H H 1 8.766 0.020 1 . . . . . 261 ILE H . 17201 1 110 . 1 1 32 32 ILE CA C 13 65.987 0.200 1 . . . . . 261 ILE CA . 17201 1 111 . 1 1 32 32 ILE N N 15 123.587 0.200 1 . . . . . 261 ILE N . 17201 1 112 . 1 1 33 33 LYS H H 1 7.673 0.020 1 . . . . . 262 LYS H . 17201 1 113 . 1 1 33 33 LYS CA C 13 58.224 0.200 1 . . . . . 262 LYS CA . 17201 1 114 . 1 1 33 33 LYS N N 15 120.845 0.200 1 . . . . . 262 LYS N . 17201 1 115 . 1 1 34 34 PRO CA C 13 65.385 0.200 1 . . . . . 263 PRO CA . 17201 1 116 . 1 1 34 34 PRO CB C 13 34.337 0.200 1 . . . . . 263 PRO CB . 17201 1 117 . 1 1 35 35 TYR H H 1 8.664 0.020 1 . . . . . 264 TYR H . 17201 1 118 . 1 1 35 35 TYR CA C 13 60.176 0.200 1 . . . . . 264 TYR CA . 17201 1 119 . 1 1 35 35 TYR CB C 13 39.121 0.200 1 . . . . . 264 TYR CB . 17201 1 120 . 1 1 35 35 TYR N N 15 121.496 0.200 1 . . . . . 264 TYR N . 17201 1 121 . 1 1 36 36 LEU H H 1 8.141 0.020 1 . . . . . 265 LEU H . 17201 1 122 . 1 1 36 36 LEU CA C 13 56.372 0.200 1 . . . . . 265 LEU CA . 17201 1 123 . 1 1 36 36 LEU CB C 13 41.149 0.200 1 . . . . . 265 LEU CB . 17201 1 124 . 1 1 36 36 LEU N N 15 114.059 0.200 1 . . . . . 265 LEU N . 17201 1 125 . 1 1 37 37 PHE H H 1 8.388 0.020 1 . . . . . 266 PHE H . 17201 1 126 . 1 1 37 37 PHE CA C 13 60.276 0.200 1 . . . . . 266 PHE CA . 17201 1 127 . 1 1 37 37 PHE CB C 13 37.905 0.200 1 . . . . . 266 PHE CB . 17201 1 128 . 1 1 37 37 PHE N N 15 122.304 0.200 1 . . . . . 266 PHE N . 17201 1 129 . 1 1 38 38 ARG H H 1 7.673 0.020 1 . . . . . 267 ARG H . 17201 1 130 . 1 1 38 38 ARG CA C 13 56.821 0.200 1 . . . . . 267 ARG CA . 17201 1 131 . 1 1 38 38 ARG CB C 13 27.955 0.200 1 . . . . . 267 ARG CB . 17201 1 132 . 1 1 38 38 ARG N N 15 120.845 0.200 1 . . . . . 267 ARG N . 17201 1 133 . 1 1 39 39 ALA H H 1 7.978 0.020 1 . . . . . 268 ALA H . 17201 1 134 . 1 1 39 39 ALA CA C 13 53.835 0.200 1 . . . . . 268 ALA CA . 17201 1 135 . 1 1 39 39 ALA CB C 13 17.680 0.200 1 . . . . . 268 ALA CB . 17201 1 136 . 1 1 39 39 ALA N N 15 116.306 0.200 1 . . . . . 268 ALA N . 17201 1 137 . 1 1 40 40 ILE H H 1 8.204 0.020 1 . . . . . 269 ILE H . 17201 1 138 . 1 1 40 40 ILE CA C 13 62.396 0.200 1 . . . . . 269 ILE CA . 17201 1 139 . 1 1 40 40 ILE N N 15 118.255 0.200 1 . . . . . 269 ILE N . 17201 1 140 . 1 1 41 41 GLU H H 1 8.020 0.020 1 . . . . . 270 GLU H . 17201 1 141 . 1 1 41 41 GLU CA C 13 57.900 0.200 1 . . . . . 270 GLU CA . 17201 1 142 . 1 1 41 41 GLU N N 15 119.971 0.200 1 . . . . . 270 GLU N . 17201 1 143 . 1 1 42 42 GLU H H 1 8.285 0.020 1 . . . . . 271 GLU H . 17201 1 144 . 1 1 42 42 GLU CA C 13 57.748 0.200 1 . . . . . 271 GLU CA . 17201 1 145 . 1 1 42 42 GLU N N 15 119.986 0.200 1 . . . . . 271 GLU N . 17201 1 146 . 1 1 43 43 SER H H 1 8.409 0.020 1 . . . . . 272 SER H . 17201 1 147 . 1 1 43 43 SER CA C 13 59.958 0.200 1 . . . . . 272 SER CA . 17201 1 148 . 1 1 43 43 SER N N 15 117.818 0.200 1 . . . . . 272 SER N . 17201 1 149 . 1 1 44 44 TYR H H 1 9.094 0.020 1 . . . . . 273 TYR H . 17201 1 150 . 1 1 44 44 TYR CA C 13 60.851 0.200 1 . . . . . 273 TYR CA . 17201 1 151 . 1 1 44 44 TYR N N 15 127.922 0.200 1 . . . . . 273 TYR N . 17201 1 152 . 1 1 45 45 TYR H H 1 9.122 0.020 1 . . . . . 274 TYR H . 17201 1 153 . 1 1 45 45 TYR N N 15 127.963 0.200 1 . . . . . 274 TYR N . 17201 1 154 . 1 1 46 46 LYS H H 1 7.537 0.020 1 . . . . . 275 LYS H . 17201 1 155 . 1 1 46 46 LYS CA C 13 57.704 0.200 1 . . . . . 275 LYS CA . 17201 1 156 . 1 1 46 46 LYS CB C 13 31.295 0.200 1 . . . . . 275 LYS CB . 17201 1 157 . 1 1 46 46 LYS N N 15 118.229 0.200 1 . . . . . 275 LYS N . 17201 1 158 . 1 1 47 47 LEU H H 1 7.386 0.020 1 . . . . . 276 LEU H . 17201 1 159 . 1 1 47 47 LEU CA C 13 55.867 0.200 1 . . . . . 276 LEU CA . 17201 1 160 . 1 1 47 47 LEU CB C 13 41.275 0.200 1 . . . . . 276 LEU CB . 17201 1 161 . 1 1 47 47 LEU N N 15 118.717 0.200 1 . . . . . 276 LEU N . 17201 1 162 . 1 1 48 48 ASP H H 1 8.887 0.020 1 . . . . . 277 ASP H . 17201 1 163 . 1 1 48 48 ASP CA C 13 54.063 0.200 1 . . . . . 277 ASP CA . 17201 1 164 . 1 1 48 48 ASP N N 15 122.726 0.200 1 . . . . . 277 ASP N . 17201 1 165 . 1 1 49 49 LYS H H 1 8.202 0.020 1 . . . . . 278 LYS H . 17201 1 166 . 1 1 49 49 LYS CA C 13 58.114 0.200 1 . . . . . 278 LYS CA . 17201 1 167 . 1 1 49 49 LYS CB C 13 33.102 0.200 1 . . . . . 278 LYS CB . 17201 1 168 . 1 1 49 49 LYS N N 15 117.527 0.200 1 . . . . . 278 LYS N . 17201 1 169 . 1 1 50 50 ARG H H 1 7.693 0.020 1 . . . . . 279 ARG H . 17201 1 170 . 1 1 50 50 ARG CA C 13 54.271 0.200 1 . . . . . 279 ARG CA . 17201 1 171 . 1 1 50 50 ARG CB C 13 33.639 0.200 1 . . . . . 279 ARG CB . 17201 1 172 . 1 1 50 50 ARG N N 15 127.364 0.200 1 . . . . . 279 ARG N . 17201 1 173 . 1 1 51 51 ILE H H 1 8.866 0.020 1 . . . . . 280 ILE H . 17201 1 174 . 1 1 51 51 ILE CA C 13 64.722 0.200 1 . . . . . 280 ILE CA . 17201 1 175 . 1 1 51 51 ILE N N 15 126.375 0.200 1 . . . . . 280 ILE N . 17201 1 176 . 1 1 52 52 PRO CA C 13 61.159 0.200 1 . . . . . 281 PRO CA . 17201 1 177 . 1 1 52 52 PRO CB C 13 33.027 0.200 1 . . . . . 281 PRO CB . 17201 1 178 . 1 1 53 53 LYS H H 1 7.525 0.020 1 . . . . . 282 LYS H . 17201 1 179 . 1 1 53 53 LYS CA C 13 56.711 0.200 1 . . . . . 282 LYS CA . 17201 1 180 . 1 1 53 53 LYS CB C 13 32.842 0.200 1 . . . . . 282 LYS CB . 17201 1 181 . 1 1 53 53 LYS N N 15 118.769 0.200 1 . . . . . 282 LYS N . 17201 1 182 . 1 1 54 54 ALA H H 1 8.075 0.020 1 . . . . . 283 ALA H . 17201 1 183 . 1 1 54 54 ALA CA C 13 51.022 0.200 1 . . . . . 283 ALA CA . 17201 1 184 . 1 1 54 54 ALA CB C 13 19.677 0.200 1 . . . . . 283 ALA CB . 17201 1 185 . 1 1 54 54 ALA N N 15 120.491 0.200 1 . . . . . 283 ALA N . 17201 1 186 . 1 1 55 55 ILE H H 1 7.680 0.020 1 . . . . . 284 ILE H . 17201 1 187 . 1 1 55 55 ILE CA C 13 58.076 0.200 1 . . . . . 284 ILE CA . 17201 1 188 . 1 1 55 55 ILE CB C 13 35.382 0.200 1 . . . . . 284 ILE CB . 17201 1 189 . 1 1 55 55 ILE N N 15 125.013 0.200 1 . . . . . 284 ILE N . 17201 1 190 . 1 1 56 56 HIS H H 1 9.039 0.020 1 . . . . . 285 HIS H . 17201 1 191 . 1 1 56 56 HIS CA C 13 54.871 0.200 1 . . . . . 285 HIS CA . 17201 1 192 . 1 1 56 56 HIS CB C 13 25.723 0.200 1 . . . . . 285 HIS CB . 17201 1 193 . 1 1 56 56 HIS N N 15 126.318 0.200 1 . . . . . 285 HIS N . 17201 1 194 . 1 1 57 57 VAL H H 1 7.886 0.020 1 . . . . . 286 VAL H . 17201 1 195 . 1 1 57 57 VAL CA C 13 62.702 0.200 1 . . . . . 286 VAL CA . 17201 1 196 . 1 1 57 57 VAL N N 15 115.565 0.200 1 . . . . . 286 VAL N . 17201 1 197 . 1 1 58 58 VAL H H 1 8.108 0.020 1 . . . . . 287 VAL H . 17201 1 198 . 1 1 58 58 VAL CA C 13 60.643 0.200 1 . . . . . 287 VAL CA . 17201 1 199 . 1 1 58 58 VAL CB C 13 33.810 0.200 1 . . . . . 287 VAL CB . 17201 1 200 . 1 1 58 58 VAL N N 15 126.810 0.200 1 . . . . . 287 VAL N . 17201 1 201 . 1 1 59 59 ALA H H 1 9.122 0.020 1 . . . . . 288 ALA H . 17201 1 202 . 1 1 59 59 ALA CA C 13 49.568 0.200 1 . . . . . 288 ALA CA . 17201 1 203 . 1 1 59 59 ALA CB C 13 21.817 0.200 1 . . . . . 288 ALA CB . 17201 1 204 . 1 1 59 59 ALA N N 15 127.963 0.200 1 . . . . . 288 ALA N . 17201 1 205 . 1 1 60 60 VAL H H 1 8.378 0.020 1 . . . . . 289 VAL H . 17201 1 206 . 1 1 60 60 VAL CA C 13 60.276 0.200 1 . . . . . 289 VAL CA . 17201 1 207 . 1 1 60 60 VAL CB C 13 31.499 0.200 1 . . . . . 289 VAL CB . 17201 1 208 . 1 1 60 60 VAL N N 15 121.879 0.200 1 . . . . . 289 VAL N . 17201 1 209 . 1 1 61 61 THR H H 1 8.261 0.020 1 . . . . . 290 THR H . 17201 1 210 . 1 1 61 61 THR CA C 13 60.533 0.200 1 . . . . . 290 THR CA . 17201 1 211 . 1 1 61 61 THR N N 15 116.075 0.200 1 . . . . . 290 THR N . 17201 1 212 . 1 1 62 62 GLU H H 1 8.638 0.020 1 . . . . . 291 GLU H . 17201 1 213 . 1 1 62 62 GLU CA C 13 55.062 0.200 1 . . . . . 291 GLU CA . 17201 1 214 . 1 1 62 62 GLU CB C 13 29.967 0.200 1 . . . . . 291 GLU CB . 17201 1 215 . 1 1 62 62 GLU N N 15 119.705 0.200 1 . . . . . 291 GLU N . 17201 1 216 . 1 1 63 63 ASP H H 1 8.761 0.020 1 . . . . . 292 ASP H . 17201 1 217 . 1 1 63 63 ASP CA C 13 54.780 0.200 1 . . . . . 292 ASP CA . 17201 1 218 . 1 1 63 63 ASP CB C 13 42.369 0.200 1 . . . . . 292 ASP CB . 17201 1 219 . 1 1 63 63 ASP N N 15 127.659 0.200 1 . . . . . 292 ASP N . 17201 1 220 . 1 1 64 64 LEU H H 1 9.148 0.020 1 . . . . . 293 LEU H . 17201 1 221 . 1 1 64 64 LEU CA C 13 56.176 0.200 1 . . . . . 293 LEU CA . 17201 1 222 . 1 1 64 64 LEU CB C 13 41.423 0.200 1 . . . . . 293 LEU CB . 17201 1 223 . 1 1 64 64 LEU N N 15 125.066 0.200 1 . . . . . 293 LEU N . 17201 1 224 . 1 1 65 65 ASP H H 1 8.147 0.020 1 . . . . . 294 ASP H . 17201 1 225 . 1 1 65 65 ASP CA C 13 51.519 0.200 1 . . . . . 294 ASP CA . 17201 1 226 . 1 1 65 65 ASP CB C 13 41.892 0.200 1 . . . . . 294 ASP CB . 17201 1 227 . 1 1 65 65 ASP N N 15 116.846 0.200 1 . . . . . 294 ASP N . 17201 1 228 . 1 1 66 66 ILE H H 1 8.955 0.020 1 . . . . . 295 ILE H . 17201 1 229 . 1 1 66 66 ILE CA C 13 63.965 0.200 1 . . . . . 295 ILE CA . 17201 1 230 . 1 1 66 66 ILE N N 15 119.296 0.200 1 . . . . . 295 ILE N . 17201 1 231 . 1 1 67 67 VAL H H 1 8.060 0.020 1 . . . . . 296 VAL H . 17201 1 232 . 1 1 67 67 VAL CA C 13 62.512 0.200 1 . . . . . 296 VAL CA . 17201 1 233 . 1 1 67 67 VAL CB C 13 33.911 0.200 1 . . . . . 296 VAL CB . 17201 1 234 . 1 1 67 67 VAL N N 15 119.648 0.200 1 . . . . . 296 VAL N . 17201 1 235 . 1 1 68 68 SER H H 1 9.459 0.020 1 . . . . . 297 SER H . 17201 1 236 . 1 1 68 68 SER CA C 13 56.680 0.200 1 . . . . . 297 SER CA . 17201 1 237 . 1 1 68 68 SER CB C 13 63.604 0.200 1 . . . . . 297 SER CB . 17201 1 238 . 1 1 68 68 SER N N 15 124.229 0.200 1 . . . . . 297 SER N . 17201 1 239 . 1 1 69 69 ARG H H 1 7.716 0.020 1 . . . . . 298 ARG H . 17201 1 240 . 1 1 69 69 ARG CA C 13 55.608 0.200 1 . . . . . 298 ARG CA . 17201 1 241 . 1 1 69 69 ARG CB C 13 32.477 0.200 1 . . . . . 298 ARG CB . 17201 1 242 . 1 1 69 69 ARG N N 15 124.848 0.200 1 . . . . . 298 ARG N . 17201 1 243 . 1 1 70 70 GLY H H 1 7.506 0.020 1 . . . . . 299 GLY H . 17201 1 244 . 1 1 70 70 GLY CA C 13 46.013 0.200 1 . . . . . 299 GLY CA . 17201 1 245 . 1 1 70 70 GLY N N 15 106.917 0.200 1 . . . . . 299 GLY N . 17201 1 246 . 1 1 71 71 ARG H H 1 7.952 0.020 1 . . . . . 300 ARG H . 17201 1 247 . 1 1 71 71 ARG CA C 13 52.744 0.200 1 . . . . . 300 ARG CA . 17201 1 248 . 1 1 71 71 ARG CB C 13 31.708 0.200 1 . . . . . 300 ARG CB . 17201 1 249 . 1 1 71 71 ARG N N 15 118.520 0.200 1 . . . . . 300 ARG N . 17201 1 250 . 1 1 72 72 THR H H 1 9.008 0.020 1 . . . . . 301 THR H . 17201 1 251 . 1 1 72 72 THR CA C 13 58.855 0.200 1 . . . . . 301 THR CA . 17201 1 252 . 1 1 72 72 THR CB C 13 71.134 0.200 1 . . . . . 301 THR CB . 17201 1 253 . 1 1 72 72 THR N N 15 114.436 0.200 1 . . . . . 301 THR N . 17201 1 254 . 1 1 73 73 PHE H H 1 8.235 0.020 1 . . . . . 302 PHE H . 17201 1 255 . 1 1 73 73 PHE CA C 13 61.422 0.200 1 . . . . . 302 PHE CA . 17201 1 256 . 1 1 73 73 PHE N N 15 126.832 0.200 1 . . . . . 302 PHE N . 17201 1 257 . 1 1 74 74 PRO CA C 13 63.423 0.200 1 . . . . . 303 PRO CA . 17201 1 258 . 1 1 74 74 PRO CB C 13 31.581 0.200 1 . . . . . 303 PRO CB . 17201 1 259 . 1 1 75 75 HIS H H 1 7.898 0.020 1 . . . . . 304 HIS H . 17201 1 260 . 1 1 75 75 HIS CA C 13 55.964 0.200 1 . . . . . 304 HIS CA . 17201 1 261 . 1 1 75 75 HIS N N 15 119.804 0.200 1 . . . . . 304 HIS N . 17201 1 262 . 1 1 76 76 GLY H H 1 8.958 0.020 1 . . . . . 305 GLY H . 17201 1 263 . 1 1 76 76 GLY CA C 13 46.046 0.200 1 . . . . . 305 GLY CA . 17201 1 264 . 1 1 76 76 GLY N N 15 113.797 0.200 1 . . . . . 305 GLY N . 17201 1 265 . 1 1 77 77 ILE H H 1 8.494 0.020 1 . . . . . 306 ILE H . 17201 1 266 . 1 1 77 77 ILE CA C 13 59.408 0.200 1 . . . . . 306 ILE CA . 17201 1 267 . 1 1 77 77 ILE N N 15 116.212 0.200 1 . . . . . 306 ILE N . 17201 1 268 . 1 1 78 78 SER H H 1 8.878 0.020 1 . . . . . 307 SER H . 17201 1 269 . 1 1 78 78 SER CA C 13 59.451 0.200 1 . . . . . 307 SER CA . 17201 1 270 . 1 1 78 78 SER N N 15 118.456 0.200 1 . . . . . 307 SER N . 17201 1 271 . 1 1 81 81 THR H H 1 8.709 0.020 1 . . . . . 310 THR H . 17201 1 272 . 1 1 81 81 THR CA C 13 62.867 0.200 1 . . . . . 310 THR CA . 17201 1 273 . 1 1 81 81 THR CB C 13 68.698 0.200 1 . . . . . 310 THR CB . 17201 1 274 . 1 1 81 81 THR N N 15 121.586 0.200 1 . . . . . 310 THR N . 17201 1 275 . 1 1 82 82 ALA H H 1 9.205 0.020 1 . . . . . 311 ALA H . 17201 1 276 . 1 1 82 82 ALA CA C 13 52.273 0.200 1 . . . . . 311 ALA CA . 17201 1 277 . 1 1 82 82 ALA CB C 13 19.395 0.200 1 . . . . . 311 ALA CB . 17201 1 278 . 1 1 82 82 ALA N N 15 128.728 0.200 1 . . . . . 311 ALA N . 17201 1 279 . 1 1 83 83 TYR H H 1 7.601 0.020 1 . . . . . 312 TYR H . 17201 1 280 . 1 1 83 83 TYR CA C 13 57.704 0.200 1 . . . . . 312 TYR CA . 17201 1 281 . 1 1 83 83 TYR N N 15 125.949 0.200 1 . . . . . 312 TYR N . 17201 1 282 . 1 1 84 84 SER H H 1 7.887 0.020 1 . . . . . 313 SER H . 17201 1 283 . 1 1 84 84 SER CA C 13 60.884 0.200 1 . . . . . 313 SER CA . 17201 1 284 . 1 1 84 84 SER CB C 13 63.200 0.200 1 . . . . . 313 SER CB . 17201 1 285 . 1 1 84 84 SER N N 15 116.494 0.200 1 . . . . . 313 SER N . 17201 1 286 . 1 1 85 85 GLU H H 1 9.183 0.020 1 . . . . . 314 GLU H . 17201 1 287 . 1 1 85 85 GLU CA C 13 58.467 0.200 1 . . . . . 314 GLU CA . 17201 1 288 . 1 1 85 85 GLU CB C 13 29.753 0.200 1 . . . . . 314 GLU CB . 17201 1 289 . 1 1 85 85 GLU N N 15 120.160 0.200 1 . . . . . 314 GLU N . 17201 1 290 . 1 1 86 86 SER H H 1 8.395 0.020 1 . . . . . 315 SER H . 17201 1 291 . 1 1 86 86 SER CA C 13 62.885 0.200 1 . . . . . 315 SER CA . 17201 1 292 . 1 1 86 86 SER N N 15 114.690 0.200 1 . . . . . 315 SER N . 17201 1 293 . 1 1 87 87 VAL H H 1 8.225 0.020 1 . . . . . 316 VAL H . 17201 1 294 . 1 1 87 87 VAL CA C 13 66.921 0.200 1 . . . . . 316 VAL CA . 17201 1 295 . 1 1 87 87 VAL N N 15 120.158 0.200 1 . . . . . 316 VAL N . 17201 1 296 . 1 1 88 88 LYS H H 1 8.584 0.020 1 . . . . . 317 LYS H . 17201 1 297 . 1 1 88 88 LYS CA C 13 60.119 0.200 1 . . . . . 317 LYS CA . 17201 1 298 . 1 1 88 88 LYS N N 15 120.974 0.200 1 . . . . . 317 LYS N . 17201 1 299 . 1 1 89 89 LEU H H 1 8.323 0.020 1 . . . . . 318 LEU H . 17201 1 300 . 1 1 89 89 LEU CA C 13 58.993 0.200 1 . . . . . 318 LEU CA . 17201 1 301 . 1 1 89 89 LEU CB C 13 43.769 0.200 1 . . . . . 318 LEU CB . 17201 1 302 . 1 1 89 89 LEU N N 15 118.384 0.200 1 . . . . . 318 LEU N . 17201 1 303 . 1 1 90 90 LEU H H 1 9.640 0.020 1 . . . . . 319 LEU H . 17201 1 304 . 1 1 90 90 LEU CA C 13 56.931 0.200 1 . . . . . 319 LEU CA . 17201 1 305 . 1 1 90 90 LEU N N 15 127.018 0.200 1 . . . . . 319 LEU N . 17201 1 306 . 1 1 91 91 GLN H H 1 7.377 0.020 1 . . . . . 320 GLN H . 17201 1 307 . 1 1 91 91 GLN CA C 13 57.787 0.200 1 . . . . . 320 GLN CA . 17201 1 308 . 1 1 91 91 GLN CB C 13 28.966 0.200 1 . . . . . 320 GLN CB . 17201 1 309 . 1 1 91 91 GLN N N 15 118.026 0.200 1 . . . . . 320 GLN N . 17201 1 310 . 1 1 92 92 LYS H H 1 7.597 0.020 1 . . . . . 321 LYS H . 17201 1 311 . 1 1 92 92 LYS CA C 13 59.471 0.200 1 . . . . . 321 LYS CA . 17201 1 312 . 1 1 92 92 LYS CB C 13 31.901 0.200 1 . . . . . 321 LYS CB . 17201 1 313 . 1 1 92 92 LYS N N 15 122.465 0.200 1 . . . . . 321 LYS N . 17201 1 314 . 1 1 93 93 ILE H H 1 7.677 0.020 1 . . . . . 322 ILE H . 17201 1 315 . 1 1 93 93 ILE CA C 13 67.063 0.200 1 . . . . . 322 ILE CA . 17201 1 316 . 1 1 93 93 ILE CB C 13 37.746 0.200 1 . . . . . 322 ILE CB . 17201 1 317 . 1 1 93 93 ILE N N 15 119.736 0.200 1 . . . . . 322 ILE N . 17201 1 318 . 1 1 94 94 LEU H H 1 7.264 0.020 1 . . . . . 323 LEU H . 17201 1 319 . 1 1 94 94 LEU CA C 13 56.868 0.200 1 . . . . . 323 LEU CA . 17201 1 320 . 1 1 94 94 LEU N N 15 117.115 0.200 1 . . . . . 323 LEU N . 17201 1 321 . 1 1 95 95 GLU H H 1 7.949 0.020 1 . . . . . 324 GLU H . 17201 1 322 . 1 1 95 95 GLU CA C 13 56.833 0.200 1 . . . . . 324 GLU CA . 17201 1 323 . 1 1 95 95 GLU N N 15 120.444 0.200 1 . . . . . 324 GLU N . 17201 1 324 . 1 1 97 97 ASP CB C 13 42.163 0.200 1 . . . . . 326 ASP CB . 17201 1 325 . 1 1 98 98 GLU H H 1 8.620 0.020 1 . . . . . 327 GLU H . 17201 1 326 . 1 1 98 98 GLU CA C 13 56.637 0.200 1 . . . . . 327 GLU CA . 17201 1 327 . 1 1 98 98 GLU CB C 13 30.255 0.200 1 . . . . . 327 GLU CB . 17201 1 328 . 1 1 98 98 GLU N N 15 117.304 0.200 1 . . . . . 327 GLU N . 17201 1 329 . 1 1 99 99 ARG H H 1 7.851 0.020 1 . . . . . 328 ARG H . 17201 1 330 . 1 1 99 99 ARG CA C 13 55.671 0.200 1 . . . . . 328 ARG CA . 17201 1 331 . 1 1 99 99 ARG CB C 13 30.475 0.200 1 . . . . . 328 ARG CB . 17201 1 332 . 1 1 99 99 ARG N N 15 120.556 0.200 1 . . . . . 328 ARG N . 17201 1 333 . 1 1 100 100 LYS H H 1 8.432 0.020 1 . . . . . 329 LYS H . 17201 1 334 . 1 1 100 100 LYS CA C 13 57.332 0.200 1 . . . . . 329 LYS CA . 17201 1 335 . 1 1 100 100 LYS CB C 13 31.804 0.200 1 . . . . . 329 LYS CB . 17201 1 336 . 1 1 100 100 LYS N N 15 120.750 0.200 1 . . . . . 329 LYS N . 17201 1 337 . 1 1 101 101 ILE H H 1 7.625 0.020 1 . . . . . 330 ILE H . 17201 1 338 . 1 1 101 101 ILE CA C 13 60.457 0.200 1 . . . . . 330 ILE CA . 17201 1 339 . 1 1 101 101 ILE CB C 13 42.333 0.200 1 . . . . . 330 ILE CB . 17201 1 340 . 1 1 101 101 ILE N N 15 118.503 0.200 1 . . . . . 330 ILE N . 17201 1 341 . 1 1 102 102 ARG H H 1 8.825 0.020 1 . . . . . 331 ARG H . 17201 1 342 . 1 1 102 102 ARG CA C 13 54.622 0.200 1 . . . . . 331 ARG CA . 17201 1 343 . 1 1 102 102 ARG CB C 13 31.454 0.200 1 . . . . . 331 ARG CB . 17201 1 344 . 1 1 102 102 ARG N N 15 128.391 0.200 1 . . . . . 331 ARG N . 17201 1 345 . 1 1 103 103 ARG H H 1 8.902 0.020 1 . . . . . 332 ARG H . 17201 1 346 . 1 1 103 103 ARG CA C 13 54.226 0.200 1 . . . . . 332 ARG CA . 17201 1 347 . 1 1 103 103 ARG CB C 13 32.224 0.200 1 . . . . . 332 ARG CB . 17201 1 348 . 1 1 103 103 ARG N N 15 128.468 0.200 1 . . . . . 332 ARG N . 17201 1 349 . 1 1 104 104 ILE H H 1 8.280 0.020 1 . . . . . 333 ILE H . 17201 1 350 . 1 1 104 104 ILE CA C 13 58.802 0.200 1 . . . . . 333 ILE CA . 17201 1 351 . 1 1 104 104 ILE CB C 13 42.900 0.200 1 . . . . . 333 ILE CB . 17201 1 352 . 1 1 104 104 ILE N N 15 119.451 0.200 1 . . . . . 333 ILE N . 17201 1 353 . 1 1 105 105 GLY H H 1 8.216 0.020 1 . . . . . 334 GLY H . 17201 1 354 . 1 1 105 105 GLY CA C 13 45.026 0.200 1 . . . . . 334 GLY CA . 17201 1 355 . 1 1 105 105 GLY N N 15 104.255 0.200 1 . . . . . 334 GLY N . 17201 1 356 . 1 1 106 106 VAL H H 1 7.970 0.020 1 . . . . . 335 VAL H . 17201 1 357 . 1 1 106 106 VAL CA C 13 58.122 0.200 1 . . . . . 335 VAL CA . 17201 1 358 . 1 1 106 106 VAL CB C 13 31.770 0.200 1 . . . . . 335 VAL CB . 17201 1 359 . 1 1 106 106 VAL N N 15 112.801 0.200 1 . . . . . 335 VAL N . 17201 1 360 . 1 1 107 107 ARG H H 1 8.725 0.020 1 . . . . . 336 ARG H . 17201 1 361 . 1 1 107 107 ARG CB C 13 32.834 0.200 1 . . . . . 336 ARG CB . 17201 1 362 . 1 1 107 107 ARG N N 15 130.211 0.200 1 . . . . . 336 ARG N . 17201 1 363 . 1 1 108 108 PHE H H 1 7.261 0.020 1 . . . . . 337 PHE H . 17201 1 364 . 1 1 108 108 PHE CA C 13 53.933 0.200 1 . . . . . 337 PHE CA . 17201 1 365 . 1 1 108 108 PHE N N 15 112.796 0.200 1 . . . . . 337 PHE N . 17201 1 366 . 1 1 109 109 SER CA C 13 56.691 0.200 1 . . . . . 338 SER CA . 17201 1 367 . 1 1 109 109 SER CB C 13 65.145 0.200 1 . . . . . 338 SER CB . 17201 1 368 . 1 1 110 110 LYS H H 1 8.477 0.020 1 . . . . . 339 LYS H . 17201 1 369 . 1 1 110 110 LYS CA C 13 51.021 0.200 1 . . . . . 339 LYS CA . 17201 1 370 . 1 1 110 110 LYS N N 15 125.939 0.200 1 . . . . . 339 LYS N . 17201 1 371 . 1 1 111 111 PHE H H 1 8.798 0.020 1 . . . . . 340 PHE H . 17201 1 372 . 1 1 111 111 PHE CA C 13 55.485 0.200 1 . . . . . 340 PHE CA . 17201 1 373 . 1 1 111 111 PHE CB C 13 37.905 0.200 1 . . . . . 340 PHE CB . 17201 1 374 . 1 1 111 111 PHE N N 15 119.405 0.200 1 . . . . . 340 PHE N . 17201 1 375 . 1 1 112 112 ILE H H 1 7.673 0.020 1 . . . . . 341 ILE H . 17201 1 376 . 1 1 112 112 ILE CA C 13 59.792 0.200 1 . . . . . 341 ILE CA . 17201 1 377 . 1 1 112 112 ILE N N 15 120.845 0.200 1 . . . . . 341 ILE N . 17201 1 378 . 1 1 113 113 GLU H H 1 8.955 0.020 1 . . . . . 342 GLU H . 17201 1 379 . 1 1 113 113 GLU CA C 13 56.136 0.200 1 . . . . . 342 GLU CA . 17201 1 380 . 1 1 113 113 GLU CB C 13 30.608 0.200 1 . . . . . 342 GLU CB . 17201 1 381 . 1 1 113 113 GLU N N 15 124.227 0.200 1 . . . . . 342 GLU N . 17201 1 382 . 1 1 114 114 ALA H H 1 7.649 0.020 1 . . . . . 343 ALA H . 17201 1 383 . 1 1 114 114 ALA CA C 13 50.975 0.200 1 . . . . . 343 ALA CA . 17201 1 384 . 1 1 114 114 ALA CB C 13 24.235 0.200 1 . . . . . 343 ALA CB . 17201 1 385 . 1 1 114 114 ALA N N 15 126.461 0.200 1 . . . . . 343 ALA N . 17201 1 386 . 1 1 115 115 ILE H H 1 8.241 0.020 1 . . . . . 344 ILE H . 17201 1 387 . 1 1 115 115 ILE CA C 13 59.797 0.200 1 . . . . . 344 ILE CA . 17201 1 388 . 1 1 115 115 ILE CB C 13 38.006 0.200 1 . . . . . 344 ILE CB . 17201 1 389 . 1 1 115 115 ILE N N 15 109.983 0.200 1 . . . . . 344 ILE N . 17201 1 390 . 1 1 116 116 GLY H H 1 8.893 0.020 1 . . . . . 345 GLY H . 17201 1 391 . 1 1 116 116 GLY CA C 13 44.656 0.200 1 . . . . . 345 GLY CA . 17201 1 392 . 1 1 116 116 GLY N N 15 115.347 0.200 1 . . . . . 345 GLY N . 17201 1 393 . 1 1 117 117 LEU H H 1 7.851 0.020 1 . . . . . 346 LEU H . 17201 1 394 . 1 1 117 117 LEU CA C 13 55.671 0.200 1 . . . . . 346 LEU CA . 17201 1 395 . 1 1 117 117 LEU N N 15 120.556 0.200 1 . . . . . 346 LEU N . 17201 1 396 . 1 1 118 118 ASP CA C 13 54.429 0.200 1 . . . . . 347 ASP CA . 17201 1 397 . 1 1 118 118 ASP CB C 13 41.074 0.200 1 . . . . . 347 ASP CB . 17201 1 398 . 1 1 119 119 LYS H H 1 7.522 0.020 1 . . . . . 348 LYS H . 17201 1 399 . 1 1 119 119 LYS CB C 13 31.890 0.200 1 . . . . . 348 LYS CB . 17201 1 400 . 1 1 119 119 LYS N N 15 125.463 0.200 1 . . . . . 348 LYS N . 17201 1 401 . 1 1 120 120 PHE H H 1 7.357 0.020 1 . . . . . 349 PHE H . 17201 1 402 . 1 1 120 120 PHE CA C 13 57.806 0.200 1 . . . . . 349 PHE CA . 17201 1 403 . 1 1 120 120 PHE N N 15 120.699 0.200 1 . . . . . 349 PHE N . 17201 1 404 . 1 1 121 121 PHE CB C 13 37.192 0.200 1 . . . . . 350 PHE CB . 17201 1 405 . 1 1 122 122 ASP H H 1 7.239 0.020 1 . . . . . 351 ASP H . 17201 1 406 . 1 1 122 122 ASP CA C 13 52.645 0.200 1 . . . . . 351 ASP CA . 17201 1 407 . 1 1 122 122 ASP CB C 13 41.357 0.200 1 . . . . . 351 ASP CB . 17201 1 408 . 1 1 122 122 ASP N N 15 119.364 0.200 1 . . . . . 351 ASP N . 17201 1 409 . 1 1 123 123 THR H H 1 7.879 0.020 1 . . . . . 352 THR H . 17201 1 410 . 1 1 123 123 THR CA C 13 63.047 0.200 1 . . . . . 352 THR CA . 17201 1 411 . 1 1 123 123 THR CB C 13 68.843 0.200 1 . . . . . 352 THR CB . 17201 1 412 . 1 1 123 123 THR N N 15 114.621 0.200 1 . . . . . 352 THR N . 17201 1 413 . 1 1 124 124 LEU H H 1 8.670 0.020 1 . . . . . 353 LEU H . 17201 1 414 . 1 1 124 124 LEU CA C 13 53.617 0.200 1 . . . . . 353 LEU CA . 17201 1 415 . 1 1 124 124 LEU CB C 13 42.382 0.200 1 . . . . . 353 LEU CB . 17201 1 416 . 1 1 124 124 LEU N N 15 126.054 0.200 1 . . . . . 353 LEU N . 17201 1 417 . 1 1 125 125 GLU H H 1 7.631 0.020 1 . . . . . 354 GLU H . 17201 1 418 . 1 1 125 125 GLU CA C 13 53.667 0.200 1 . . . . . 354 GLU CA . 17201 1 419 . 1 1 125 125 GLU CB C 13 29.531 0.200 1 . . . . . 354 GLU CB . 17201 1 420 . 1 1 125 125 GLU N N 15 129.255 0.200 1 . . . . . 354 GLU N . 17201 1 421 . 1 1 126 126 HIS H H 1 7.818 0.020 1 . . . . . 355 HIS H . 17201 1 422 . 1 1 126 126 HIS N N 15 123.077 0.200 1 . . . . . 355 HIS N . 17201 1 423 . 1 1 127 127 HIS H H 1 7.400 0.020 1 . . . . . 356 HIS H . 17201 1 424 . 1 1 127 127 HIS CA C 13 58.155 0.200 1 . . . . . 356 HIS CA . 17201 1 425 . 1 1 127 127 HIS CB C 13 30.211 0.200 1 . . . . . 356 HIS CB . 17201 1 426 . 1 1 127 127 HIS N N 15 118.052 0.200 1 . . . . . 356 HIS N . 17201 1 427 . 1 1 128 128 HIS H H 1 7.696 0.020 1 . . . . . 357 HIS H . 17201 1 428 . 1 1 128 128 HIS CA C 13 57.045 0.200 1 . . . . . 357 HIS CA . 17201 1 429 . 1 1 128 128 HIS N N 15 116.909 0.200 1 . . . . . 357 HIS N . 17201 1 430 . 1 1 130 130 HIS H H 1 7.400 0.020 1 . . . . . 359 HIS H . 17201 1 431 . 1 1 130 130 HIS CA C 13 56.888 0.200 1 . . . . . 359 HIS CA . 17201 1 432 . 1 1 130 130 HIS CB C 13 31.295 0.200 1 . . . . . 359 HIS CB . 17201 1 433 . 1 1 130 130 HIS N N 15 118.265 0.200 1 . . . . . 359 HIS N . 17201 1 434 . 1 1 131 131 HIS H H 1 7.386 0.020 1 . . . . . 360 HIS H . 17201 1 435 . 1 1 131 131 HIS CA C 13 55.867 0.200 1 . . . . . 360 HIS CA . 17201 1 436 . 1 1 131 131 HIS N N 15 118.717 0.200 1 . . . . . 360 HIS N . 17201 1 stop_ save_