data_4326 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4326 _Entry.Title ; Complete 1H, 13C, and 15N Chemical Shift Assignments for the N-terminal Domain of DNA Polymerase B (residues 2-87). ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 1999-03-25 _Entry.Accession_date 1999-03-25 _Entry.Last_release_date 1999-05-19 _Entry.Original_release_date 1999-05-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Dingjiang Liu . . . 4326 2 Eugene DeRose . F. . 4326 3 Rajendra Prasad . . . 4326 4 Samuel Wilson . H. . 4326 5 Gregory Mullen . P. . 4326 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4326 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 312 4326 '15N chemical shifts' 83 4326 '1H chemical shifts' 598 4326 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 . . 1999-05-19 1999-03-25 original author . 4326 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4326 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 94347721 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Liu, D., DeRose, E. F., Prasad, R., Wilson, S. H., and Mullen, G. P., "Assignments of 1H, 15N, and 13C Resonances for the Backbone and Side Chains of the N-Terminal Domain of DNA Polymerase B. Determination of the Secondary Structure and Tertiary Contacts.," Biochemistry 33, 9537-9545 (1994). ; _Citation.Title ; Assignments of 1H, 15N, and 13C Resonances for the Backbone and Side Chains of the N-Terminal Domain of DNA Polymerase B. Determination of the Secondary Structure and Tertiary Contacts ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 33 _Citation.Journal_issue 32 _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 9537 _Citation.Page_last 9545 _Citation.Year 1994 _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 Dingjiang Liu . . . 4326 1 2 Eugene DeRose . F. . 4326 1 3 Rajendra Prasad . . . 4326 1 4 Samuel Wilson . H. . 4326 1 5 Gregory Mullen . P. . 4326 1 stop_ save_ save_Reference_1 _Citation.Sf_category citations _Citation.Sf_framecode Reference_1 _Citation.Entry_ID 4326 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 94347721 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_B-Pol _Assembly.Sf_category assembly _Assembly.Sf_framecode B-Pol _Assembly.Entry_ID 4326 _Assembly.ID 1 _Assembly.Name 'N-Terminal Domain of DNA Polymerase B' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 2.7.7.7 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4326 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'B-Pol N-terminal Domain' 1 $B-Pol-N-terminal-Domain . . . native . . . . . 4326 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID B-Pol abbreviation 4326 1 'N-Terminal Domain of DNA Polymerase B' system 4326 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'deoxyribose 5'-phosphate excision at incised abasic sites (N-terminal domain)' 4326 1 'DNA binding (N-terminal domain)' 4326 1 'DNA polmerization (C-terminal domain)' 4326 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_B-Pol-N-terminal-Domain _Entity.Sf_category entity _Entity.Sf_framecode B-Pol-N-terminal-Domain _Entity.Entry_ID 4326 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'DNA Polymerase B' _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 ; MSKRKAPQETLNGGITDMLV ELANFEKNVSQAIHKYNAYR KAASVIAKYPHKIKSGAEAK KLPGVGTKIAEKIDEFLATG KLRKLEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9490 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 18267 . DNA_Polymerase_beta_polypeptide . . . . . 100.00 335 100.00 100.00 3.98e-51 . . . . 4326 1 2 no PDB 1BNO . "Nmr Solution Structure Of The N-Terminal Domain Of Dna Polymerase Beta, Minimized Average Structure" . . . . . 100.00 87 100.00 100.00 3.71e-54 . . . . 4326 1 3 no PDB 1BNP . "Nmr Solution Structure Of The N-Terminal Domain Of Dna Polymerase Beta, 55 Structures" . . . . . 100.00 87 100.00 100.00 3.71e-54 . . . . 4326 1 4 no PDB 1BPD . "Crystal Structure Of Rat Dna Polymerase Beta: Evidence For A Common Polymerase Mechanism" . . . . . 100.00 335 100.00 100.00 3.98e-51 . . . . 4326 1 5 no PDB 1BPE . "Crystal Structure Of Rat Dna Polymerase Beta; Evidence For A Common Polymerase Mechanism" . . . . . 100.00 335 100.00 100.00 4.02e-51 . . . . 4326 1 6 no PDB 1BPX . "Dna Polymerase BetaDNA COMPLEX" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 7 no PDB 1BPY . "Human Dna Polymerase Beta Complexed With Gapped Dna And Ddctp" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 8 no PDB 1BPZ . "Human Dna Polymerase Beta Complexed With Nicked Dna" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 9 no PDB 1DK2 . "Refined Solution Structure Of The N-Terminal Domain Of Dna Polymerase Beta" . . . . . 97.70 86 100.00 100.00 2.12e-52 . . . . 4326 1 10 no PDB 1DK3 . "Refined Solution Structure Of The N-Terminal Domain Of Dna Polymerase Beta" . . . . . 100.00 87 100.00 100.00 3.71e-54 . . . . 4326 1 11 no PDB 1HUO . "Crystal Structure Of Dna Polymerase Beta Complexed With Dna And Cr-Tmppcp" . . . . . 100.00 335 100.00 100.00 3.98e-51 . . . . 4326 1 12 no PDB 1HUZ . "Crystal Structure Of Dna Polymerase Complexed With Dna And Cr-Pcp" . . . . . 100.00 335 100.00 100.00 3.98e-51 . . . . 4326 1 13 no PDB 1MQ2 . "Human Dna Polymerase Beta Complexed With Gapped Dna Containing An 8-Oxo-7,8-Dihydro-Guanine And Damp" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 14 no PDB 1MQ3 . "Human Dna Polymerase Beta Complexed With Gapped Dna Containing An 8-Oxo-7,8-Dihydro-Guanine Template Paired With Dctp" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 15 no PDB 1TV9 . "Human Dna Polymerase Beta Complexed With Nicked Dna Containing A Mismatched Template Adenine And Incoming Cytidine" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 16 no PDB 1TVA . "Human Dna Polymerase Beta Complexed With Nicked Dna Containing A Mismatched Template Thymidine And Incoming Cytidine" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 17 no PDB 1ZJM . "Human Dna Polymerase Beta Complexed With Dna Containing An A-A Mismatched Primer Terminus" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 18 no PDB 1ZJN . "Human Dna Polymerase Beta Complexed With Dna Containing An A-A Mismatched Primer Terminus With Dgtp" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 19 no PDB 1ZQA . "Dna Polymerase Beta (pol B) (e.c.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Kcl (150 Millimolar" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 20 no PDB 1ZQB . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Bacl2 (150 Millimol" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 21 no PDB 1ZQC . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Cacl2 (15 Millimola" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 22 no PDB 1ZQD . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Cacl2 (150 Millimol" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 23 no PDB 1ZQE . "Dna Polymerase Beta (pol B) (e.c.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Crcl3 (saturated So" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 24 no PDB 1ZQF . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Cscl (150 Millimola" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 25 no PDB 1ZQG . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of A Sodium-Free Artif" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 26 no PDB 1ZQH . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of A Sodium-Free Artif" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 27 no PDB 1ZQI . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Kcl (150 Millimolar" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 28 no PDB 1ZQJ . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Cacl2 (15 Millimola" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 29 no PDB 1ZQK . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Kcl (75 Millimolar)" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 30 no PDB 1ZQL . "Dna Polymerase Beta (pol B) (e.c.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Mncl2 (15 Millimola" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 31 no PDB 1ZQM . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Mncl2 (15 Millimola" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 32 no PDB 1ZQN . "Dna Polymerase Beta (pol B) (e.c.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Bacl2 (15 Millimola" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 33 no PDB 1ZQO . "Dna Polymerase Beta (pol B) (e.c.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Cacl2 (15 Millimola" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 34 no PDB 1ZQP . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Kcl (75 Millimolar)" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 35 no PDB 1ZQQ . "Dna Polymerase Beta (pol B) (e.c.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Mncl2 (15 Millimola" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 36 no PDB 1ZQR . "Dna Polymerase Beta (E.C.2.7.7.7)DNA COMPLEX, SOAKED IN The Presence Of Nicl2" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 37 no PDB 1ZQS . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Tlcl (0.5 Millimola" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 38 no PDB 1ZQT . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Datp (0.01 Millimol" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 39 no PDB 2BPF . "Structures Of Ternary Complexes Of Rat Dna Polymerase Beta, A Dna Template-Primer, And Ddctp" . . . . . 100.00 335 100.00 100.00 3.98e-51 . . . . 4326 1 40 no PDB 2BPG . "Structures Of Ternary Complexes Of Rat Dna Polymerase Beta, A Dna Template-Primer, And Ddctp" . . . . . 100.00 335 100.00 100.00 3.98e-51 . . . . 4326 1 41 no PDB 2FMP . "Dna Polymerase Beta With A Terminated Gapped Dna Substrate And Ddctp With Sodium In The Catalytic Site" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 42 no PDB 2FMQ . "Sodium In Active Site Of Dna Polymerase Beta" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 43 no PDB 2FMS . "Dna Polymerase Beta With A Gapped Dna Substrate And Dumpnpp With Magnesium In The Catalytic Site" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 44 no PDB 2I9G . "Dna Polymerase Beta With A Benzo[c]phenanthrene Diol Epoxide Adducted Guanine Base" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 45 no PDB 2ISO . "Ternary Complex Of Dna Polymerase Beta With A Dideoxy Terminated Primer And 2'-Deoxyguanosine 5'-Beta, Gamma- Difluoromethylene" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 46 no PDB 2ISP . "Ternary Complex Of Dna Polymerase Beta With A Dideoxy Terminated Primer And 2'-Deoxyguanosine 5'-Beta, Gamma- Methylene Triphos" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 47 no PDB 2P66 . "Human Dna Polymerase Beta Complexed With Tetrahydrofuran (abasic Site) Containing Dna" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 48 no PDB 2PXI . "Ternary Complex Of Dna Polymerase Beta With A Dideoxy Terminated Primer And 2'-Deoxyguanosine 5'-Beta, Gamma- Monofluoromethyle" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 49 no PDB 3C2K . "Dna Polymerase Beta With A Gapped Dna Substrate And Dumpnpp With Manganese In The Active Site" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 50 no PDB 3C2L . "Ternary Complex Of Dna Polymerase Beta With A C:dapcpp Mismatch In The Active Site" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 51 no PDB 3C2M . "Ternary Complex Of Dna Polymerase Beta With A G:dapcpp Mismatch In The Active Site" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 52 no PDB 3GDX . "Dna Polymerase Beta With A Gapped Dnd Substrate And Dtmp(Cf2)pp" . . . . . 89.66 326 98.72 98.72 1.17e-43 . . . . 4326 1 53 no PDB 3ISB . "Binary Complex Of Human Dna Polymerase Beta With A Gapped Dna" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 54 no PDB 3ISC . "Binary Complex Of Human Dna Polymerase Beta With An Abasic Site (Thf) In The Gapped Dna" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 55 no PDB 3ISD . "Ternary Complex Of Human Dna Polymerase Beta With An Abasic Site (Thf): Dapcpp Mismatch" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 56 no PDB 3JPN . "Ternary Complex Of Dna Polymerase Beta With A Dideoxy Termin Primer And 2'-Deoxyguanosine 5'-Beta, Gamma-Dichloro Methyl Tripho" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 57 no PDB 3JPO . "Ternary Complex Of Dna Polymerase Beta With A Dideoxy Termin Primer And 2'-Deoxyguanosine 5'-Beta, Gamma-Monochloromethy Tripho" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 58 no PDB 3JPP . "Ternary Complex Of Dna Polymerase Beta With A Dideoxy Termin Primer And 2'-Deoxyguanosine 5'-Beta, Gamma-Monomethyl Meth Tripho" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 59 no PDB 3JPQ . "Ternary Complex Of Dna Polymerase Beta With A Dideoxy Termin Primer And 2'-Deoxyguanosine 5'-Beta, Gamma-Monobromo Methy Tripho" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 60 no PDB 3JPR . "Ternary Complex Of Dna Polymerase Beta With A Dideoxy Termin Primer And 2'-Deoxyguanosine 5'-Beta, Gamma-Dimethyl Methyl Tripho" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 61 no PDB 3JPS . "Ternary Complex Of Dna Polymerase Beta With A Dideoxy Termin Primer And 2'-Deoxyguanosine 5'-Beta, Gamma-Fluoro Methyl M Tripho" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 62 no PDB 3JPT . "Ternary Complex Of Dna Polymerase Beta With A Dideoxy Termin Primer And 2'-Deoxyguanosine 5'-Beta, Gamma-Fluoro Chloro M Tripho" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 63 no PDB 3LK9 . "Dna Polymerase Beta With A Gapped Dna Substrate And Dtmp(Cf2)p(Cf2)p" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 64 no PDB 3MBY . "Ternary Complex Of Dna Polymerase Beta With Template Base A And 8oxodgtp In The Active Site With A Dideoxy Terminated Primer" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 65 no PDB 3OGU . "Dna Polymerase Beta Mutant 5p20 Complexed With 6bp Of Dna" . . . . . 100.00 335 97.70 97.70 1.12e-49 . . . . 4326 1 66 no PDB 3RH4 . "Dna Polymerase Beta With A Dideoxy-Terminated Primer With An Incoming Ribonucleotide (Rctp)" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 67 no PDB 3RH5 . "Dna Polymerase Beta Mutant (Y271) With A Dideoxy-Terminated Primer With An Incoming Deoxynucleotide (Dctp)" . . . . . 100.00 335 98.85 98.85 1.74e-50 . . . . 4326 1 68 no PDB 3RH6 . "Dna Polymerase Beta Mutant (Y271) With A Dideoxy-Terminated Primer With An Incoming Ribonucleotide (Rctp)" . . . . . 100.00 335 98.85 98.85 1.74e-50 . . . . 4326 1 69 no PDB 3RJE . "Ternary Complex Of Dna Polymerase Beta With A Gapped Dna Containing 8odg At Template Position" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 70 no PDB 3RJF . "Ternary Complex Of Dna Polymerase Beta With A Gapped Dna Containing (Syn)8odg At Template Position Paired With Non-Hydrolyzable" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 71 no PDB 3RJG . "Binary Complex Of Dna Polymerase Beta With A Gapped Dna Containing 8odg:da Base-Pair At Primer Terminus" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 72 no PDB 3RJH . "Ternary Complex Of Dna Polymerase Beta With A Gapped Dna Containing (Syn)8odg:da At Primer Terminus And Dg:dcmp(Cf2)ppin The Ac" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 73 no PDB 3RJI . "Ternary Complex Of Dna Polymerase Beta With A Gapped Dna Containing 8odg At Template Position Paired With Non-Hydrolyzable Dctp" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 74 no PDB 3RJJ . "Ternary Complex Crystal Structure Of Dna Polymerase Beta With Template 8odg Provides Insight Into Mutagenic Lesion Bypass" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 75 no PDB 3RJK . "Ternary Complex Of Dna Polymerase Beta With A Gapped Dna Containing 8odg:dc Base Pair At Primer Terminus And Dg:dcmp(Cf2)pp In " . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 76 no PDB 3TFR . "Ternary Complex Structure Of Dna Polymerase Beta With A Gapped Dna Substrate And A, B Damp(Cf2)pp In The Active Site" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 77 no PDB 3TFS . "Ternary Complex Structure Of Dna Polymerase Beta With A Gapped Dna Substrate And A, B Damp(Cfh)pp In The Active Site: Stereosel" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 78 no PDB 3UXN . "Crystal Structure Of Rat Dna Polymerase Beta, Wild Type Apoenzyme" . . . . . 100.00 335 100.00 100.00 3.98e-51 . . . . 4326 1 79 no PDB 3UXO . "Crystal Structure Of Rat Dna Polymerase Beta Mutator I260q Apoenzyme" . . . . . 100.00 335 100.00 100.00 3.65e-51 . . . . 4326 1 80 no PDB 3UXP . "Co-crystal Structure Of Rat Dna Polymerase Beta Mutator I260q: Enzyme- Dna-ddttp" . . . . . 100.00 335 100.00 100.00 3.65e-51 . . . . 4326 1 81 no PDB 3V72 . "Crystal Structure Of Rat Dna Polymerase Beta Mutator E295k: Enzyme- Dsdna" . . . . . 100.00 335 100.00 100.00 4.67e-51 . . . . 4326 1 82 no PDB 3V7J . "Co-crystal Structure Of Wild Type Rat Polymerase Beta: Enzyme-dna Binary Complex" . . . . . 96.55 340 100.00 100.00 8.93e-49 . . . . 4326 1 83 no PDB 3V7K . "Co-crystal Structure Of K72e Variant Of Rat Polymerase Beta: Enzyme- Dna Binary Complex" . . . . . 96.55 340 98.81 100.00 2.74e-48 . . . . 4326 1 84 no PDB 3V7L . "Apo Structure Of Rat Dna Polymerase Beta K72e Variant" . . . . . 96.55 340 98.81 100.00 2.74e-48 . . . . 4326 1 85 no PDB 4DO9 . "Ternary Complex Of Dna Polymerase Beta With A Dideoxy Terminated Primer And 2'-Deoxyguanosine 5'-Beta, Gamma-Monofluoromethylen" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 86 no PDB 4DOA . "Ternary Complex Of Dna Polymerase Beta With A Dideoxy Terminated Primer And 2'-Deoxyguanosine 5'-Beta, Gamma-Monofluoromethylen" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 87 no PDB 4DOB . "Ternary Complex Of Dna Polymerase Beta With A Dideoxy Terminated Primer And 2'-Deoxyguanosine 5'-Beta, Gamma-Monochlororomethyl" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 88 no PDB 4DOC . "Ternary Complex Of Dna Polymerase Beta With A Dideoxy Terminated Primer And 2'-Deoxyguanosine 5'-Beta, Gamma-Monochlororomethyl" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 89 no PDB 4F5N . "Open Ternary Complex Of R283k Dna Polymerase Beta With A Metal Free Dctp Analog" . . . . . 100.00 335 98.85 98.85 1.96e-50 . . . . 4326 1 90 no PDB 4F5O . "Open Ternary Complex Of R283k Dna Polymerase Beta With A One Metal Bound Dctp Analog" . . . . . 100.00 335 98.85 98.85 1.96e-50 . . . . 4326 1 91 no PDB 4F5P . "Open Ternary Mismatch Complex Of R283k Dna Polymerase Beta With A Datp Analog" . . . . . 100.00 335 98.85 98.85 1.96e-50 . . . . 4326 1 92 no PDB 4F5Q . "Closed Ternary Complex Of R283k Dna Polymerase Beta" . . . . . 100.00 335 98.85 98.85 1.96e-50 . . . . 4326 1 93 no PDB 4F5R . "Open And Closed Ternary Complex Of R283k Dna Polymerase Beta With A Dctp Analog In The Same Asymmetric Unit" . . . . . 100.00 335 98.85 98.85 1.96e-50 . . . . 4326 1 94 no PDB 4GXI . "R283k Dna Polymerase Beta Binary Complex With A Templating 8og" . . . . . 100.00 335 98.85 98.85 1.96e-50 . . . . 4326 1 95 no PDB 4GXJ . "R283k Dna Polymerase Beta Ternary Complex With A Templating 8og And Incoming Dctp Analog" . . . . . 100.00 335 98.85 98.85 1.96e-50 . . . . 4326 1 96 no PDB 4GXK . "R283k Dna Polymerase Beta Ternary Complex With A Templating 8og And Incoming Datp Analog" . . . . . 100.00 335 98.85 98.85 1.96e-50 . . . . 4326 1 97 no PDB 4JWM . "Ternary Complex Of D256e Mutant Of Dna Polymerase Beta" . . . . . 100.00 335 98.85 98.85 1.68e-50 . . . . 4326 1 98 no PDB 4JWN . "Ternary Complex Of D256a Mutant Of Dna Polymerase Beta" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 99 no PDB 4KLD . "Dna Polymerase Beta Matched Substrate Complex With Ca2+, 0 S" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 100 no PDB 4KLE . "Dna Polymerase Beta Matched Reactant Complex With Mg2+, 10 S" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 101 no PDB 4KLF . "Dna Polymerase Beta Matched Reactant Complex With Mg2+, 20 S" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 102 no PDB 4KLG . "Dna Polymerase Beta Matched Product Complex With Mg2+, 40 S" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 103 no PDB 4KLH . "Dna Polymerase Beta Matched Product Complex With Mn2+, 40 S" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 104 no PDB 4KLI . "Dna Polymerase Beta Matched Product Complex With Mg2+, 90 S" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 105 no PDB 4KLJ . "Dna Polymerase Beta Matched Product Complex With Mg2+, 5 Min" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 106 no PDB 4KLL . "Dna Polymerase Beta Matched Product Complex With Mg2+, 45 Min" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 107 no PDB 4KLM . "Dna Polymerase Beta Matched Product Complex With Mg2+, 11 H" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 108 no PDB 4KLO . "Dna Polymerase Beta Matched Nick Complex With Mg2+ And Ppi, 30 Min" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 109 no PDB 4KLQ . "Observing A Dna Polymerase Choose Right From Wrong." . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 110 no PDB 4KLS . "Dna Polymerase Beta Mismatched Reactant Complex With Mn2+, 10 Min" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 111 no PDB 4KLT . "Dna Polymerase Beta Mismatched Product Complex With Mn2+, 30 Min" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 112 no PDB 4KLU . "Dna Polymerase Beta Mismatched Product Complex With Mn2+, 15 H" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 113 no PDB 4LVS . "Dna Polymerase Beta Mismatched Substrate Complex With Mn2+, 2.5 Min" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 114 no PDB 4M2Y . "Structure Of Human Dna Polymerase Beta Complexed With 8-brg As The Template Base In A 1-nucleotide Gapped Dna" . . . . . 88.51 325 98.70 98.70 6.84e-43 . . . . 4326 1 115 no PDB 4M47 . "Structure Of Human Dna Polymerase Complexed With 8-brg In The Template Base Paired With Incoming Non-hydrolyzable Gtp" . . . . . 87.36 324 98.68 98.68 3.29e-42 . . . . 4326 1 116 no PDB 4M9G . "Dna Polymerase Beta E295k Binary Complex" . . . . . 100.00 335 98.85 98.85 1.87e-50 . . . . 4326 1 117 no PDB 4M9H . "Dna Polymerase Beta E295k Soaked With Dttp" . . . . . 100.00 335 98.85 98.85 1.87e-50 . . . . 4326 1 118 no PDB 4M9J . "Dna Polymerase Beta E295k Soaked With Dumpnpp" . . . . . 100.00 335 98.85 98.85 1.87e-50 . . . . 4326 1 119 no PDB 4M9L . "Dna Polymerase Beta E295k Soaked With Dctp" . . . . . 100.00 335 98.85 98.85 1.87e-50 . . . . 4326 1 120 no PDB 4M9N . "Dna Polymerase Beta E295k Soaked With Datp" . . . . . 100.00 335 98.85 98.85 1.87e-50 . . . . 4326 1 121 no PDB 4MF2 . "Structure Of Human Dna Polymerase Beta Complexed With O6mg As The Template Base In A 1-nucleotide Gapped Dna" . . . . . 88.51 325 98.70 98.70 6.84e-43 . . . . 4326 1 122 no PDB 4MF8 . "Structure Of Human Dna Polymerase Beta Complexed With Nicked Dna Containing A Mismatched Template O6mg And Incoming Ctp" . . . . . 93.10 329 98.77 98.77 2.40e-46 . . . . 4326 1 123 no PDB 4MFA . "Structure Of Human Dna Polymerase Beta Complexed With Nicked Dna Containing A Mismatched Template O6mg And Incoming Ttp" . . . . . 88.51 325 98.70 98.70 6.84e-43 . . . . 4326 1 124 no PDB 4MFC . "Structure Of Human Dna Polymerase Beta Complexed With O6mg In The Template Base Paired With Incoming Non-hydrolyzable Ctp" . . . . . 88.51 325 98.70 98.70 6.84e-43 . . . . 4326 1 125 no PDB 4MFF . "Structure Of Human Dna Polymerase Beta Complexed With O6mg In The Template Base Paired With Incoming Non-hydrolyzable Ttp" . . . . . 88.51 325 98.70 98.70 6.84e-43 . . . . 4326 1 126 no PDB 4NLK . "Structure Of Human Dna Polymerase Beta Complexed With 8brg In The Template Base-paired With Incoming Non-hydrolyzable Ctp" . . . . . 93.10 329 98.77 98.77 2.40e-46 . . . . 4326 1 127 no PDB 4NLN . "Structure Of Human Dna Polymerase Beta Complexed With Nicked Dna Containing A Template 8brg And Incoming Ctp" . . . . . 93.10 329 98.77 98.77 2.40e-46 . . . . 4326 1 128 no PDB 4NLZ . "Structure Of Human Dna Polymerase Beta Complexed With Nicked Dna Containing A Mismatched Template 8brg And Incoming Gtp" . . . . . 93.10 329 98.77 98.77 2.40e-46 . . . . 4326 1 129 no PDB 4NM1 . "Structure Of Human Dna Polymerase Beta Complexed With A Nicked Dna Containing A 8brg-c At N-1 Position And G-c At N Position" . . . . . 93.10 329 98.77 98.77 2.40e-46 . . . . 4326 1 130 no PDB 4NM2 . "Structure Of Human Dna Polymerase Beta Complexed With A Nicked Dna Containing A 8brg-g At N-1 Position And G-c At N Position" . . . . . 93.10 329 98.77 98.77 2.40e-46 . . . . 4326 1 131 no PDB 4NXZ . "Dna Polymerase Beta With O6mg In The Template Base Opposite To Incoming Non-hydrolyzable Ttp With Manganese In The Active Site" . . . . . 89.66 326 98.72 98.72 1.17e-43 . . . . 4326 1 132 no PDB 4NY8 . "Dna Polymerase Beta With O6mg In The Template Base Opposite To Incoming Non-hydrolyzable Ctp With Manganese In The Active Site" . . . . . 89.66 326 98.72 98.72 1.17e-43 . . . . 4326 1 133 no PDB 4O5C . "Structure Of Human Dna Polymerase Complexed With N7-mg As The Template Base In A 1-nucleotide Gapped Dna" . . . . . 93.10 329 98.77 98.77 2.40e-46 . . . . 4326 1 134 no PDB 4O5E . "Structure Of Human Dna Polymerase Complexed With N7mg In The Template Base Paired With Incoming Non-hydrolyzable Ttp" . . . . . 93.10 329 98.77 98.77 2.40e-46 . . . . 4326 1 135 no PDB 4O5K . "Structure Of Human Dna Polymerase Complexed With N7mg In The Template Base Paired With Incoming Non-hydrolyzable Ctp" . . . . . 89.66 326 98.72 98.72 1.17e-43 . . . . 4326 1 136 no PDB 4O9M . "Human Dna Polymerase Beta Complexed With Adenylated Tetrahydrofuran (abasic Site) Containing Dna" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 137 no PDB 4P2H . "Structure Of Human Dna Polymerase Complexed With N7mg In The Template Opposite To Incoming Non-hydrolyzable Ttp With Manganese " . . . . . 89.66 326 98.72 98.72 1.17e-43 . . . . 4326 1 138 no PDB 4PGQ . "Structure Of Human Dna Polymerase Beta Complexed With G In The Template Base Paired With Incoming Non-hydrolyzable Ttp" . . . . . 93.10 329 98.77 98.77 2.40e-46 . . . . 4326 1 139 no PDB 4PGX . "Structure Of Human Dna Polymerase Beta Complexed With G In The Template Base Paired With Incoming Non-hydrolyzable Ttp And Mang" . . . . . 89.66 326 98.72 98.72 1.17e-43 . . . . 4326 1 140 no PDB 4PGY . "Structure Of Human Dna Polymerase Beta Complexed With A Nicked Dna Containing A Gt At N-1 Position And Gc At N Position" . . . . . 93.10 329 98.77 98.77 2.40e-46 . . . . 4326 1 141 no PDB 4PH5 . "Structure Of Human Dna Polymerase Beta Complexed With A Nicked Dna Containing A Ac At N-1 Position And Gc At N Position" . . . . . 89.66 326 98.72 98.72 1.17e-43 . . . . 4326 1 142 no PDB 4PHA . "Structure Of Human Dna Polymerase Beta Complexed With A In The Template Base Paired With Incoming Non-hydrolyzable Ctp" . . . . . 93.10 329 98.77 98.77 2.40e-46 . . . . 4326 1 143 no PDB 4PHD . "Structure Of Human Dna Polymerase Beta Complexed With A In The Template Base Paired With Incoming Non-hydrolyzable Ctp And Mang" . . . . . 93.10 329 98.77 98.77 2.40e-46 . . . . 4326 1 144 no PDB 4PHE . "Structure Of Human Dna Polymerase Beta Complexed With T In The Template Base Paired With Incoming Non-hydrolyzable Gtp" . . . . . 93.10 329 98.77 98.77 2.40e-46 . . . . 4326 1 145 no PDB 4PHP . "Structure Of Human Dna Polymerase Beta Complexed With T In The Template Base Paired With Incoming Non-hydrolyzable Gtp And Mang" . . . . . 89.66 326 98.72 98.72 1.17e-43 . . . . 4326 1 146 no PDB 4PPX . "Dna Polymerase Beta E295k With Spiroiminodihydantoin In Templating Position" . . . . . 100.00 335 98.85 98.85 1.87e-50 . . . . 4326 1 147 no PDB 4R63 . "Binary Complex Crystal Structure Of R258a Mutant Of Dna Polymerase Beta" . . . . . 100.00 335 98.85 98.85 1.87e-50 . . . . 4326 1 148 no PDB 4R64 . "Binary Complex Crystal Structure Of E295k Mutant Of Dna Polymerase Beta" . . . . . 100.00 335 98.85 98.85 1.87e-50 . . . . 4326 1 149 no PDB 4R65 . "Ternary Complex Crystal Structure Of R258a Mutant Of Dna Polymerase Beta" . . . . . 100.00 335 98.85 98.85 1.87e-50 . . . . 4326 1 150 no PDB 4R66 . "Ternary Complex Crystal Structure Of E295k Mutant Of Dna Polymerase Beta" . . . . . 100.00 335 98.85 98.85 1.87e-50 . . . . 4326 1 151 no PDB 4RPX . "Precatalytic Ternary Complex Of Human Dna Polymerase Beta With Gapped Dna Containing An 8-oxo-7,8-dihydro-guanine (8-oxog) And " . . . . . 100.00 343 98.85 98.85 2.36e-50 . . . . 4326 1 152 no PDB 4RPY . "Human Dna Polymerase Beta With Gapped Dna Containing An 8-oxo-7,8- Dihydro-guanine(8-oxog) And Dctp Soaked With Mgcl2 For 30 S" . . . . . 100.00 343 98.85 98.85 2.36e-50 . . . . 4326 1 153 no PDB 4RPZ . "Human Dna Polymerase Beta With Gapped Dna Containing An 8-oxo-7,8- Dihydro-guanine (8-oxog)and Dctp Soaked With Mgcl2 For 60 S" . . . . . 100.00 343 98.85 98.85 2.36e-50 . . . . 4326 1 154 no PDB 4RQ0 . "Human Dna Polymerase Beta With Gapped Dna Containing An 8-oxo-7,8- Dihydro-guanine (8-oxog)and Dctp Soaked With Mgcl2 For 80 S" . . . . . 100.00 343 98.85 98.85 2.36e-50 . . . . 4326 1 155 no PDB 4RQ1 . "Human Dna Polymerase Beta With Gapped Dna Containing An 8-oxo-7,8- Dihydro-guanine(8-oxog) And Dctp Soaked With Mgcl2 For 1hr" . . . . . 100.00 343 98.85 98.85 2.36e-50 . . . . 4326 1 156 no PDB 4RQ2 . "Human Dna Polymerase Beta With Gapped Dna Containing An 8-oxo-7,8- Dihydro-guanine (8-oxog)and Dctp Soaked With Mncl2 For 35 S" . . . . . 100.00 343 98.85 98.85 2.36e-50 . . . . 4326 1 157 no PDB 4RQ3 . "Precatalytic Ternary Complex Of Human Dna Polymerase Beta With Gapped Dna Containing An 8-oxo-7,8-dihydro-guanine (8-oxog) And " . . . . . 100.00 343 98.85 98.85 2.36e-50 . . . . 4326 1 158 no PDB 4RQ4 . "Human Dna Polymerase Beta With Gapped Dna Containing An 8-oxo-7,8- Dihydro-guanine(8-oxog) And Datp Soaked With Mgcl2 For 30 S" . . . . . 100.00 343 98.85 98.85 2.36e-50 . . . . 4326 1 159 no PDB 4RQ5 . "Human Dna Polymerase Beta With Gapped Dna Containing An 8-oxo-7,8- Dihydro-guanine (8-oxog)and Datp Soaked With Mgcl2 For 60 S" . . . . . 100.00 343 98.85 98.85 2.36e-50 . . . . 4326 1 160 no PDB 4RQ6 . "Human Dna Polymerase Beta With Gapped Dna Containing An 8-oxo-7,8- Dihydro-guanine(8-oxog) And Datp Soaked With Mgcl2 For 80 S" . . . . . 100.00 343 98.85 98.85 2.36e-50 . . . . 4326 1 161 no PDB 4RQ7 . "Human Dna Polymerase Beta With Gapped Dna Containing An 8-oxo-7,8- Dihydro-guanine (8-oxog)and Datp Soaked With Mgcl2 For 1hr" . . . . . 100.00 343 98.85 98.85 2.36e-50 . . . . 4326 1 162 no PDB 4RQ8 . "Human Dna Polymerase Beta With Gapped Dna Containing An 8-oxo-7,8- Dihydro-guanine(8-oxog) And Datp Soaked With Mncl2 For 35 S" . . . . . 100.00 343 98.85 98.85 2.36e-50 . . . . 4326 1 163 no PDB 4RT2 . "Ternary Complex Crystal Structure Of Dna Polymerase Beta With (alpha, Beta)-ch2-(beta,gamma)-nh-dttp" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 164 no PDB 4RT3 . "Ternary Complex Crystal Structure Of Dna Polymerase Beta With (alpha, Beta)-nh-(beta,gamma)-ch2-dttp" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 165 no PDB 4TUP . "Structure Of Human Dna Polymerase Beta Complexed With Gg As The Template (gg0b) In A 1-nucleotide Gapped Dna" . . . . . 93.10 329 98.77 98.77 2.40e-46 . . . . 4326 1 166 no PDB 4TUQ . "Human Dna Polymerase Beta Inserting Dcmpnpp Opposite Gg Template (gg0b)." . . . . . 89.66 326 98.72 98.72 1.17e-43 . . . . 4326 1 167 no PDB 4TUR . "Human Dna Polymerase Beta Inserting Dcmpnpp Opposite The 5'g Of Cisplatin Crosslinked Gs (pt-gg2)" . . . . . 93.10 329 98.77 98.77 2.40e-46 . . . . 4326 1 168 no PDB 4TUS . "Human Dna Polymerase Beta Inserting Dcmpnpp Opposite The 5'g Of Cisplatin Crosslinked Gs (pt-gg2) With Manganese In The Active " . . . . . 89.66 326 98.72 98.72 1.17e-43 . . . . 4326 1 169 no PDB 4UAW . "Dna Polymerase Beta Substrate Complex With A Templating Adenine And Incoming 8-oxodgtp, 0 S" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 170 no PDB 4UAY . "Dna Polymerase Beta Product Complex With A Templating Adenine And Inserted 8-oxodgmp, 40 S" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 171 no PDB 4UAZ . "Dna Polymerase Beta Reactant Complex With A Templating Adenine And Incoming 8-oxodgtp, 20 S" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 172 no PDB 4UB1 . "Dna Polymerase Beta Product Complex With A Templating Adenine And 8- Oxodgmp, 90 S" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 173 no PDB 4UB2 . "Dna Polymerase Beta Product Complex With A Templating Cytosine And 8- Oxodgmp, 120 S" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 174 no PDB 4UB3 . "Dna Polymerase Beta Closed Product Complex With A Templating Cytosine And 8-oxodgmp, 60 S" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 175 no PDB 4UB4 . "Dna Polymerase Beta Substrate Complex With A Templating Cytosine And Incoming Dgtp, 0 S" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 176 no PDB 4UB5 . "Dna Polymerase Beta Substrate Complex With A Templating Cytosine, Incoming 8-oxodgtp, And Mn2+, 5 S" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 177 no PDB 4UBB . "Dna Polymerase Beta Reactant Complex With A Templating Cytosine And Incoming 8-oxodgtp, 40 S" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 178 no PDB 4UBC . "Dna Polymerase Beta Substrate Complex With A Templating Cytosine And Incoming 8-oxodgtp, 0 S" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 179 no PDB 5BOL . "Dna Polymerase Beta Ternary Complex With A Templating 5clc And Incoming Dgtp Analog" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 180 no PDB 5BOM . "Dna Polymerase Beta Binary Complex With A Templating 5clc" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 181 no PDB 5BPC . "Dna Polymerase Beta Ternary Complex With A Templating 5clc And Incoming Datp Analog" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 182 no PDB 5DB6 . "Structure Of Human Dna Polymerase Beta Host-guest Complex With The N7mg Base Paired With A Dc" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 183 no PDB 5DB7 . "Structure Of Human Dna Polymerase Beta Host-guest Complex With The N7mg Base Paired With A Dt" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 184 no PDB 5DB8 . "Structure Of Human Dna Polymerase Beta Host-guest Complex With The N7mg Base Paired With A Da" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 185 no PDB 5DB9 . "Structure Of Human Dna Polymerase Beta Host-guest Complex With The N7mg Base Paired With A Dg" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 186 no PDB 5DBA . "Structure Of Human Dna Polymerase Beta Host-guest Complex With The Dg Base Paired With A Dt" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 187 no PDB 5DBB . "Structure Of Human Dna Polymerase Beta Host-guest Complex With The Dg Base Paired With A Da" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 188 no PDB 5DBC . "Structure Of Human Dna Polymerase Beta Host-guest Complex With The Dg Base Paired With A Dg" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 189 no PDB 7ICE . "Dna Polymerase Beta (E.C.2.7.7.7)DNA COMPLEX, SOAKED IN The Presence Of Cacl2" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 190 no PDB 7ICF . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Six Base Pairs Of Dna; Soaked In The Presence Of Cdcl2 (0.1 Millimolar" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 191 no PDB 7ICG . "Dna Polymerase Beta (e.c.2.7.7.7)/dna Complex, Soaked In The Presence Of Cdcl2" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 192 no PDB 7ICH . "Dna Polymerase Beta (E.C.2.7.7.7)DNA COMPLEX, SOAKED IN The Presence Of Cocl2" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 193 no PDB 7ICI . "Dna Polymerase Beta (pol B) (e.c.2.7.7.7) Complexed With Six Base Pairs Of Dna; Soaked In The Presence Of Crcl3 (0.1 Millimolar" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 194 no PDB 7ICJ . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Six Base Pairs Of Dna; Soaked In The Presence Of Cucl2 (0.1 Millimolar" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 195 no PDB 7ICK . "Dna Polymerase Beta (E.C.2.7.7.7)DNA COMPLEX, SOAKED IN The Presence Of Mgcl2" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 196 no PDB 7ICL . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Six Base Pairs Of Dna; Soaked In The Presence Of Mncl2 (0.1 Millimolar" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 197 no PDB 7ICM . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Six Base Pairs Of Dna; Soaked In The Presence Of Mncl2 (1.0 Millimolar" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 198 no PDB 7ICN . "Dna Polymerase Beta (e.c.2.7.7.7)/dna Complex, Soaked In The Presence Of Nicl2" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 199 no PDB 7ICO . "Dna Polymerase Beta (E.C.2.7.7.7)DNA COMPLEX, SOAKED IN The Presence Of Zncl2" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 200 no PDB 7ICP . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Six Base Pairs Of Dna; Soaked In The Presence Of Zncl2 (0.01 Millimola" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 201 no PDB 7ICQ . "Dna Polymerase Beta (E.C.2.7.7.7)DNA COMPLEX, SOAKED IN The Presence Of Zncl2" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 202 no PDB 7ICR . "Dna Polymerase Beta (e.c.2.7.7.7)/dna Complex, Soaked In The Presence Of Zncl2" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 203 no PDB 7ICS . "Dna Polymerase Beta (E.C.2.7.7.7)DNA COMPLEX, SOAKED IN The Presence Of Zncl2" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 204 no PDB 7ICT . "Dna Polymerase Beta (E.C.2.7.7.7)DNA COMPLEX, SOAKED IN The Presence Of Zncl2 And Mgcl2" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 205 no PDB 7ICU . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Six Base Pairs Of Dna; Soaked In The Presence Of Cdcl2 (0.1 Millimolar" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 206 no PDB 7ICV . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Six Base Pairs Of Dna; Soaked In The Presence Of Mncl2 (0.1 Millimolar" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 207 no PDB 8ICA . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Datp (1 Millimolar)" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 208 no PDB 8ICB . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Artificial Mother L" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 209 no PDB 8ICC . "Dna Polymerase Beta (pol B) (e.c.2.7.7.7) Complexed With Seven Base Pairs Of Dna (no 5'-phosphate)" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 210 no PDB 8ICE . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Datp (1 Millimolar)" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 211 no PDB 8ICF . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Datp (10 Millimolar" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 212 no PDB 8ICG . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Datp (1 Millimolar)" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 213 no PDB 8ICH . "Dna Polymerase Beta (pol B) (e.c.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Dctp (1 Millimolar)" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 214 no PDB 8ICI . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Dgtp (1 Millimolar)" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 215 no PDB 8ICJ . "Dna Polymerase Beta (E.C.2.7.7.7)DNA COMPLEX + THYMIDINE- 5'-Triphosphate, Soaked In The Presence Of Dttp And Mgcl2" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 216 no PDB 8ICK . "Dna Polymerase Beta (pol B) (e.c.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Datp (1 Millimolar)" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 217 no PDB 8ICL . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Datp (1 Millimolar)" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 218 no PDB 8ICM . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Datp (1 Millimolar)" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 219 no PDB 8ICN . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Atp (1 Millimolar) " . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 220 no PDB 8ICO . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Azt-Tp (1 Millimola" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 221 no PDB 8ICP . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Datp (1 Millimolar)" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 222 no PDB 8ICQ . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Of Datp (0.1 Millim" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 223 no PDB 8ICR . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Datp (1 Millimolar)" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 224 no PDB 8ICS . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Dctp (1 Millimolar)" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 225 no PDB 8ICT . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Dctp (1 Millimolar)" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 226 no PDB 8ICU . "Dna Polymerase Beta (pol B) (e.c.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Ddatp (1 Millimolar" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 227 no PDB 8ICV . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Dgtp (1 Millimolar)" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 228 no PDB 8ICW . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Dttp (1 Millimolar)" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 229 no PDB 8ICX . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Dttp (1 Millimolar)" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 230 no PDB 8ICY . "Dna Polymerase Beta (E.C.2.7.7.7)DNA COMPLEX + THYMIDINE- 5'-Triphosphate, Soaked In The Presence Of Dttp And Mncl2" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 231 no PDB 8ICZ . "Dna Polymerase Beta (pol B) (e.c.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Of Datp (1 Millimol" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 232 no PDB 9ICA . "Dna Polymerase Beta (E.C.2.7.7.7)DNA COMPLEX + 2'- Deoxyadenosine-5'-O-(1-Thiotriphosphate), Soaked In The Presence Of Datp(Alp" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 233 no PDB 9ICB . "Dna Polymerase Beta (E.C.2.7.7.7)DNA COMPLEX + 2'- Deoxyadenosine-5'-Triphosphate, Soaked In The Presence Of Datp And Cocl2" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 234 no PDB 9ICC . "Dna Polymerase Beta (e.c.2.7.7.7)/dna Complex + 2'- Deoxyadenosine-5'-triphosphate, Soaked In The Presence Of Datp And Crcl3" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 235 no PDB 9ICE . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Datp (1 Millimolar)" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 236 no PDB 9ICF . "Dna Polymerase Beta (E.C.2.7.7.7)DNA COMPLEX + 2'- Deoxyadenosine-5'-Triphosphate, Soaked In The Presence Of Datp And Zncl2" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 237 no PDB 9ICG . "Dna Polymerase Beta (pol B) (e.c.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Dctp (1 Millimolar)" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 238 no PDB 9ICH . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Dgtp (1 Millimolar)" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 239 no PDB 9ICI . "Dna Polymerase Beta (pol B) (e.c.2.7.7.7) Complexed With Seven Base Pairs Of Dna; Soaked In The Presence Of Dttp (1 Millimolar)" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 240 no PDB 9ICJ . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Seven Base Pairs Of Dna" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 241 no PDB 9ICK . "Dna Polymerase Beta (E.C.2.7.7.7)DNA COMPLEX, SOAKED IN The Presence Of Artificial Mother Liquor" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 242 no PDB 9ICL . "Dna Polymerase Beta (E.C.2.7.7.7)DNA COMPLEX, SOAKED IN The Presence Of Pyrophosphate And Mncl2" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 243 no PDB 9ICM . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Six Base Pairs Of Double Stranded Dna (No 5'-Phosphate)" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 244 no PDB 9ICN . "Dna Polymerase Beta (E.C.2.7.7.7)DNA COMPLEX + 2',3'- Dideoxycytidine-5'-Triphosphate, Soaked In The Presence Of Ddctp And Mgcl" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 245 no PDB 9ICO . "Dna Polymerase Beta (E.C.2.7.7.7)DNA COMPLEX, SOAKED IN The Presence Of Dttp And Mgcl2" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 246 no PDB 9ICP . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Six Base Pairs Of Dna; Soaked In The Presence Of Pyrophosphate (1 Mill" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 247 no PDB 9ICQ . "Dna Polymerase Beta (pol B) (e.c.2.7.7.7) Complexed With Six Base Pairs Of Dna; Soaked In The Presence Of Datp (1 Millimolar) A" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 248 no PDB 9ICR . "Dna Polymerase Beta (E.C.2.7.7.7)DNA COMPLEX + 2'- Deoxycytidine-5'-Triphosphate, Soaked In The Presence Of Dctp And Mncl2" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 249 no PDB 9ICS . "Dna Polymerase Beta (E.C.2.7.7.7)DNA COMPLEX + 2',3'- Dideoxycytidine-5'-Triphosphate, Soaked In The Presence Of Ddctp And Mncl" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 250 no PDB 9ICT . "Dna Polymerase Beta (E.C.2.7.7.7)DNA COMPLEX + 2'- Deoxyguanosine-5'-Triphosphate, Soaked In The Presence Of Dgtp And Mncl2" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 251 no PDB 9ICU . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Six Base Pairs Of Dna; Soaked In The Presence Of Dttp (1 Millimolar) A" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 252 no PDB 9ICV . "Dna Polymerase Beta (e.c.2.7.7.7)/dna Complex + 2'- Deoxyadenosine-5'-triphosphate, Soaked In The Presence Of Datp And Zncl2" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 253 no PDB 9ICW . "Dna Polymerase Beta (Pol B) (E.C.2.7.7.7) Complexed With Six Base Pairs Of Dna; Native Structure" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 254 no PDB 9ICX . "Dna Polymerase Beta (pol B) (e.c.2.7.7.7) Complexed With Six Base Pairs Of Dna (non Gapped Dna Only)" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 255 no PDB 9ICY . "Dna Polymerase Beta (E.C.2.7.7.7) Complexed With Seven Base Pairs Of Dna (Non Gapped Dna Only)" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 256 no DBJ BAA06099 . "DNA polymerase beta [Homo sapiens]" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 257 no DBJ BAC36630 . "unnamed protein product [Mus musculus]" . . . . . 100.00 335 100.00 100.00 4.67e-51 . . . . 4326 1 258 no DBJ BAD97257 . "polymerase (DNA directed), beta variant [Homo sapiens]" . . . . . 100.00 335 98.85 98.85 1.76e-50 . . . . 4326 1 259 no DBJ BAE27405 . "unnamed protein product [Mus musculus]" . . . . . 100.00 335 100.00 100.00 4.67e-51 . . . . 4326 1 260 no DBJ BAE30399 . "unnamed protein product [Mus musculus]" . . . . . 100.00 335 100.00 100.00 4.67e-51 . . . . 4326 1 261 no EMBL CAD29079 . "chimeric DNA-directed DNA polymerase bf4-1 [synthetic construct]" . . . . . 100.00 325 100.00 100.00 5.34e-51 . . . . 4326 1 262 no EMBL CAD29080 . "chimeric DNA-directed DNA polymerase bf4-2 [synthetic construct]" . . . . . 100.00 340 100.00 100.00 4.34e-51 . . . . 4326 1 263 no EMBL CAD29081 . "chimeric DNA-directed DNA polymerase bf4-4 [synthetic construct]" . . . . . 100.00 324 100.00 100.00 3.86e-51 . . . . 4326 1 264 no EMBL CAD29082 . "chimeric DNA-directed DNA polymerase bf4-7 [synthetic construct]" . . . . . 100.00 325 100.00 100.00 5.29e-51 . . . . 4326 1 265 no EMBL CAD29083 . "chimeric DNA-directed DNA polymerase bf4-8 [synthetic construct]" . . . . . 100.00 322 100.00 100.00 4.19e-51 . . . . 4326 1 266 no GB AAA41900 . "polymerase beta [Rattus norvegicus]" . . . . . 80.46 318 100.00 100.00 7.73e-38 . . . . 4326 1 267 no GB AAA41901 . "DNA polymerase beta [Rattus norvegicus]" . . . . . 100.00 335 100.00 100.00 3.94e-51 . . . . 4326 1 268 no GB AAA60133 . "beta-polymerase [Homo sapiens]" . . . . . 100.00 335 98.85 98.85 1.67e-50 . . . . 4326 1 269 no GB AAB00389 . "high molecular weight DNA polymerase beta [Rattus norvegicus]" . . . . . 100.00 335 100.00 100.00 3.94e-51 . . . . 4326 1 270 no GB AAB59441 . "beta-polymerase [Homo sapiens]" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 271 no REF NP_001029936 . "DNA polymerase beta [Bos taurus]" . . . . . 100.00 335 97.70 98.85 6.55e-50 . . . . 4326 1 272 no REF NP_001244632 . "DNA polymerase beta [Macaca mulatta]" . . . . . 100.00 335 97.70 98.85 1.37e-49 . . . . 4326 1 273 no REF NP_001297194 . "polymerase (DNA directed), beta [Heterocephalus glaber]" . . . . . 100.00 335 98.85 100.00 1.29e-50 . . . . 4326 1 274 no REF NP_002681 . "DNA polymerase beta [Homo sapiens]" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 275 no REF NP_035260 . "DNA polymerase beta [Mus musculus]" . . . . . 100.00 335 100.00 100.00 4.67e-51 . . . . 4326 1 276 no SP P06746 . "RecName: Full=DNA polymerase beta" . . . . . 100.00 335 98.85 98.85 1.72e-50 . . . . 4326 1 277 no SP P06766 . "RecName: Full=DNA polymerase beta" . . . . . 100.00 335 100.00 100.00 3.98e-51 . . . . 4326 1 278 no SP Q27958 . "RecName: Full=DNA polymerase beta" . . . . . 100.00 335 97.70 98.85 6.55e-50 . . . . 4326 1 279 no SP Q8K409 . "RecName: Full=DNA polymerase beta" . . . . . 100.00 335 100.00 100.00 4.67e-51 . . . . 4326 1 280 no TPG DAA14453 . "TPA: DNA polymerase beta [Bos taurus]" . . . . . 100.00 335 97.70 98.85 6.55e-50 . . . . 4326 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID B-Pol abbreviation 4326 1 'DNA Polymerase B' common 4326 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 0 MET . 4326 1 2 1 SER . 4326 1 3 2 LYS . 4326 1 4 3 ARG . 4326 1 5 4 LYS . 4326 1 6 5 ALA . 4326 1 7 6 PRO . 4326 1 8 7 GLN . 4326 1 9 8 GLU . 4326 1 10 9 THR . 4326 1 11 10 LEU . 4326 1 12 11 ASN . 4326 1 13 12 GLY . 4326 1 14 13 GLY . 4326 1 15 14 ILE . 4326 1 16 15 THR . 4326 1 17 16 ASP . 4326 1 18 17 MET . 4326 1 19 18 LEU . 4326 1 20 19 VAL . 4326 1 21 20 GLU . 4326 1 22 21 LEU . 4326 1 23 22 ALA . 4326 1 24 23 ASN . 4326 1 25 24 PHE . 4326 1 26 25 GLU . 4326 1 27 26 LYS . 4326 1 28 27 ASN . 4326 1 29 28 VAL . 4326 1 30 29 SER . 4326 1 31 30 GLN . 4326 1 32 31 ALA . 4326 1 33 32 ILE . 4326 1 34 33 HIS . 4326 1 35 34 LYS . 4326 1 36 35 TYR . 4326 1 37 36 ASN . 4326 1 38 37 ALA . 4326 1 39 38 TYR . 4326 1 40 39 ARG . 4326 1 41 40 LYS . 4326 1 42 41 ALA . 4326 1 43 42 ALA . 4326 1 44 43 SER . 4326 1 45 44 VAL . 4326 1 46 45 ILE . 4326 1 47 46 ALA . 4326 1 48 47 LYS . 4326 1 49 48 TYR . 4326 1 50 49 PRO . 4326 1 51 50 HIS . 4326 1 52 51 LYS . 4326 1 53 52 ILE . 4326 1 54 53 LYS . 4326 1 55 54 SER . 4326 1 56 55 GLY . 4326 1 57 56 ALA . 4326 1 58 57 GLU . 4326 1 59 58 ALA . 4326 1 60 59 LYS . 4326 1 61 60 LYS . 4326 1 62 61 LEU . 4326 1 63 62 PRO . 4326 1 64 63 GLY . 4326 1 65 64 VAL . 4326 1 66 65 GLY . 4326 1 67 66 THR . 4326 1 68 67 LYS . 4326 1 69 68 ILE . 4326 1 70 69 ALA . 4326 1 71 70 GLU . 4326 1 72 71 LYS . 4326 1 73 72 ILE . 4326 1 74 73 ASP . 4326 1 75 74 GLU . 4326 1 76 75 PHE . 4326 1 77 76 LEU . 4326 1 78 77 ALA . 4326 1 79 78 THR . 4326 1 80 79 GLY . 4326 1 81 80 LYS . 4326 1 82 81 LEU . 4326 1 83 82 ARG . 4326 1 84 83 LYS . 4326 1 85 84 LEU . 4326 1 86 85 GLU . 4326 1 87 86 LYS . 4326 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 4326 1 . SER 2 2 4326 1 . LYS 3 3 4326 1 . ARG 4 4 4326 1 . LYS 5 5 4326 1 . ALA 6 6 4326 1 . PRO 7 7 4326 1 . GLN 8 8 4326 1 . GLU 9 9 4326 1 . THR 10 10 4326 1 . LEU 11 11 4326 1 . ASN 12 12 4326 1 . GLY 13 13 4326 1 . GLY 14 14 4326 1 . ILE 15 15 4326 1 . THR 16 16 4326 1 . ASP 17 17 4326 1 . MET 18 18 4326 1 . LEU 19 19 4326 1 . VAL 20 20 4326 1 . GLU 21 21 4326 1 . LEU 22 22 4326 1 . ALA 23 23 4326 1 . ASN 24 24 4326 1 . PHE 25 25 4326 1 . GLU 26 26 4326 1 . LYS 27 27 4326 1 . ASN 28 28 4326 1 . VAL 29 29 4326 1 . SER 30 30 4326 1 . GLN 31 31 4326 1 . ALA 32 32 4326 1 . ILE 33 33 4326 1 . HIS 34 34 4326 1 . LYS 35 35 4326 1 . TYR 36 36 4326 1 . ASN 37 37 4326 1 . ALA 38 38 4326 1 . TYR 39 39 4326 1 . ARG 40 40 4326 1 . LYS 41 41 4326 1 . ALA 42 42 4326 1 . ALA 43 43 4326 1 . SER 44 44 4326 1 . VAL 45 45 4326 1 . ILE 46 46 4326 1 . ALA 47 47 4326 1 . LYS 48 48 4326 1 . TYR 49 49 4326 1 . PRO 50 50 4326 1 . HIS 51 51 4326 1 . LYS 52 52 4326 1 . ILE 53 53 4326 1 . LYS 54 54 4326 1 . SER 55 55 4326 1 . GLY 56 56 4326 1 . ALA 57 57 4326 1 . GLU 58 58 4326 1 . ALA 59 59 4326 1 . LYS 60 60 4326 1 . LYS 61 61 4326 1 . LEU 62 62 4326 1 . PRO 63 63 4326 1 . GLY 64 64 4326 1 . VAL 65 65 4326 1 . GLY 66 66 4326 1 . THR 67 67 4326 1 . LYS 68 68 4326 1 . ILE 69 69 4326 1 . ALA 70 70 4326 1 . GLU 71 71 4326 1 . LYS 72 72 4326 1 . ILE 73 73 4326 1 . ASP 74 74 4326 1 . GLU 75 75 4326 1 . PHE 76 76 4326 1 . LEU 77 77 4326 1 . ALA 78 78 4326 1 . THR 79 79 4326 1 . GLY 80 80 4326 1 . LYS 81 81 4326 1 . LEU 82 82 4326 1 . ARG 83 83 4326 1 . LYS 84 84 4326 1 . LEU 85 85 4326 1 . GLU 86 86 4326 1 . LYS 87 87 4326 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 4326 _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 $B-Pol-N-terminal-Domain . 10116 organsim . 'rattus norvegicus' rat . . Eukaryota Metazoa rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 4326 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 4326 _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 $B-Pol-N-terminal-Domain . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 'BL21 (DE3)/pLysS' . . . . . . . . . . . plasmid . . pRSET-8k . . . . . . 4326 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4326 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; After purification the sample was eluted from a Sephadex G15 column (18 x 1.0 cm) with 5 mM Tris-d11, pH 7.5, 400 mM NaCl. Prior to performing NMR expeiments the pH was adjusted to 6.7. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DNA Polymerase B' '[U-100% 13C; U-100% 15N]' . . 1 $B-Pol-N-terminal-Domain . . 2.8 . . mM . . . . 4326 1 2 Tris-d11 . . . . . . . 5 . . mM . . . . 4326 1 3 NaCl . . . . . . . 400 . . mM . . . . 4326 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4326 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DNA Polymerase B' '[U-100% 15N]' . . 1 $B-Pol-N-terminal-Domain . . 4.7 . . mM . . . . 4326 2 2 Tris-d11 . . . . . . . 5 . . mM . . . . 4326 2 3 NaCl . . . . . . . 400 . . mM . . . . 4326 2 stop_ save_ save_sample_three _Sample.Sf_category sample _Sample.Sf_framecode sample_three _Sample.Entry_ID 4326 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DNA Polymerase B' . . . 1 $B-Pol-N-terminal-Domain . . 1.4 . . mM . . . . 4326 3 2 Tris-d11 . . . . . . . 5 . . mM . . . . 4326 3 3 NaCl . . . . . . . 400 . . mM . . . . 4326 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 4326 _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' 0.800 . . 4326 1 pH 6.7 0.15 na 4326 1 temperature 298 0.5 K 4326 1 stop_ save_ ############################ # Computer software used # ############################ save_software_one _Software.Sf_category software _Software.Sf_framecode software_one _Software.Entry_ID 4326 _Software.ID 1 _Software.Name Felix _Software.Version 2.10 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'processing and analysis of spectra' 4326 1 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 4326 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer 'General Electric' _NMR_spectrometer.Model GN-500 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4326 _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 'General Electric' GN-500 . 500 . . . 4326 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 4326 _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-1H NOESY' . . . . . . . . . . . . . . . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4326 1 2 '2D 1H-1H TOCSY' . . . . . . . . . . . . . . . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4326 1 3 '2D 1H-1H DQF-COSY' . . . . . . . . . . . . . . . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4326 1 4 '2D 1H-15N HMQC' . . . . . . . . . . . . . . . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4326 1 5 '2D 1H-15N HMQC-J' . . . . . . . . . . . . . . . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4326 1 6 '3D 1H-15N-1H NOESY-HMQC' . . . . . . . . . . . . . . . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4326 1 7 '3D 1H-15N-1H TOCSY-HMQC' . . . . . . . . . . . . . . . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4326 1 8 '3D 1H-13C-1H TOCSY-HMQC' . . . . . . . . . . . . . . . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4326 1 9 '3D HNCA' . . . . . . . . . . . . . . . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4326 1 10 '3D HN(CO)CA' . . . . . . . . . . . . . . . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4326 1 11 '3D HNCO' . . . . . . . . . . . . . . . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4326 1 12 '3D 1H-13C-1H NOESY-HMQC' . . . . . . . . . . . . . . . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4326 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4326 _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 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4326 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 4326 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4326 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 4326 _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 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4326 1 . . 2 $sample_two . 4326 1 . . 3 $sample_three . 4326 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 2 2 SER CA C 13 57.7 . . 1 . . . . . . . . 4326 1 2 . 1 1 2 2 SER HA H 1 4.45 . . 1 . . . . . . . . 4326 1 3 . 1 1 2 2 SER CB C 13 61.3 . . 1 . . . . . . . . 4326 1 4 . 1 1 2 2 SER HB2 H 1 3.85 . . 1 . . . . . . . . 4326 1 5 . 1 1 2 2 SER HB3 H 1 3.85 . . 1 . . . . . . . . 4326 1 6 . 1 1 3 3 LYS CA C 13 57.2 . . 1 . . . . . . . . 4326 1 7 . 1 1 3 3 LYS HA H 1 3.75 . . 1 . . . . . . . . 4326 1 8 . 1 1 3 3 LYS CB C 13 32.1 . . 1 . . . . . . . . 4326 1 9 . 1 1 3 3 LYS HB2 H 1 1.90 . . 1 . . . . . . . . 4326 1 10 . 1 1 3 3 LYS HB3 H 1 1.90 . . 1 . . . . . . . . 4326 1 11 . 1 1 3 3 LYS CG C 13 23.8 . . 1 . . . . . . . . 4326 1 12 . 1 1 3 3 LYS HG2 H 1 1.49 . . 1 . . . . . . . . 4326 1 13 . 1 1 3 3 LYS HG3 H 1 1.49 . . 1 . . . . . . . . 4326 1 14 . 1 1 3 3 LYS CD C 13 28.5 . . 1 . . . . . . . . 4326 1 15 . 1 1 3 3 LYS HD2 H 1 1.73 . . 1 . . . . . . . . 4326 1 16 . 1 1 3 3 LYS HD3 H 1 1.73 . . 1 . . . . . . . . 4326 1 17 . 1 1 3 3 LYS HE2 H 1 3.02 . . 1 . . . . . . . . 4326 1 18 . 1 1 3 3 LYS HE3 H 1 3.02 . . 1 . . . . . . . . 4326 1 19 . 1 1 4 4 ARG CA C 13 55.1 . . 1 . . . . . . . . 4326 1 20 . 1 1 4 4 ARG HA H 1 3.98 . . 1 . . . . . . . . 4326 1 21 . 1 1 4 4 ARG CB C 13 31.1 . . 1 . . . . . . . . 4326 1 22 . 1 1 4 4 ARG HB2 H 1 1.88 . . 1 . . . . . . . . 4326 1 23 . 1 1 4 4 ARG HB3 H 1 1.88 . . 1 . . . . . . . . 4326 1 24 . 1 1 4 4 ARG CG C 13 25.9 . . 1 . . . . . . . . 4326 1 25 . 1 1 4 4 ARG HG2 H 1 1.66 . . 1 . . . . . . . . 4326 1 26 . 1 1 4 4 ARG HG3 H 1 1.66 . . 1 . . . . . . . . 4326 1 27 . 1 1 4 4 ARG CD C 13 42.6 . . 1 . . . . . . . . 4326 1 28 . 1 1 4 4 ARG HD2 H 1 3.21 . . 1 . . . . . . . . 4326 1 29 . 1 1 4 4 ARG HD3 H 1 3.21 . . 1 . . . . . . . . 4326 1 30 . 1 1 5 5 LYS N N 15 127.4 . . 1 . . . . . . . . 4326 1 31 . 1 1 5 5 LYS H H 1 8.42 . . 1 . . . . . . . . 4326 1 32 . 1 1 5 5 LYS CA C 13 55.6 . . 1 . . . . . . . . 4326 1 33 . 1 1 5 5 LYS HA H 1 4.30 . . 1 . . . . . . . . 4326 1 34 . 1 1 5 5 LYS CB C 13 33.2 . . 1 . . . . . . . . 4326 1 35 . 1 1 5 5 LYS HB2 H 1 1.76 . . 1 . . . . . . . . 4326 1 36 . 1 1 5 5 LYS HB3 H 1 1.76 . . 1 . . . . . . . . 4326 1 37 . 1 1 5 5 LYS HE2 H 1 3.02 . . 1 . . . . . . . . 4326 1 38 . 1 1 5 5 LYS HE3 H 1 3.02 . . 1 . . . . . . . . 4326 1 39 . 1 1 5 5 LYS C C 13 175.6 . . 1 . . . . . . . . 4326 1 40 . 1 1 6 6 ALA N N 15 130.8 . . 1 . . . . . . . . 4326 1 41 . 1 1 6 6 ALA H H 1 8.33 . . 1 . . . . . . . . 4326 1 42 . 1 1 6 6 ALA CA C 13 50.4 . . 1 . . . . . . . . 4326 1 43 . 1 1 6 6 ALA HA H 1 4.11 . . 1 . . . . . . . . 4326 1 44 . 1 1 6 6 ALA HB1 H 1 1.37 . . 1 . . . . . . . . 4326 1 45 . 1 1 6 6 ALA HB2 H 1 1.37 . . 1 . . . . . . . . 4326 1 46 . 1 1 6 6 ALA HB3 H 1 1.37 . . 1 . . . . . . . . 4326 1 47 . 1 1 6 6 ALA CB C 13 17.5 . . 1 . . . . . . . . 4326 1 48 . 1 1 7 7 PRO CD C 13 50.4 . . 1 . . . . . . . . 4326 1 49 . 1 1 7 7 PRO CA C 13 63.4 . . 1 . . . . . . . . 4326 1 50 . 1 1 7 7 PRO HA H 1 4.38 . . 1 . . . . . . . . 4326 1 51 . 1 1 7 7 PRO CB C 13 32.1 . . 1 . . . . . . . . 4326 1 52 . 1 1 7 7 PRO HB2 H 1 1.92 . . 2 . . . . . . . . 4326 1 53 . 1 1 7 7 PRO HB3 H 1 2.31 . . 2 . . . . . . . . 4326 1 54 . 1 1 7 7 PRO CG C 13 27.4 . . 1 . . . . . . . . 4326 1 55 . 1 1 7 7 PRO HG2 H 1 2.05 . . 1 . . . . . . . . 4326 1 56 . 1 1 7 7 PRO HG3 H 1 2.05 . . 1 . . . . . . . . 4326 1 57 . 1 1 7 7 PRO HD2 H 1 3.66 . . 2 . . . . . . . . 4326 1 58 . 1 1 7 7 PRO HD3 H 1 3.80 . . 2 . . . . . . . . 4326 1 59 . 1 1 7 7 PRO C C 13 177.4 . . 1 . . . . . . . . 4326 1 60 . 1 1 8 8 GLN N N 15 123.1 . . 1 . . . . . . . . 4326 1 61 . 1 1 8 8 GLN H H 1 8.44 . . 1 . . . . . . . . 4326 1 62 . 1 1 8 8 GLN CA C 13 55.6 . . 1 . . . . . . . . 4326 1 63 . 1 1 8 8 GLN HA H 1 4.29 . . 1 . . . . . . . . 4326 1 64 . 1 1 8 8 GLN CB C 13 29.0 . . 1 . . . . . . . . 4326 1 65 . 1 1 8 8 GLN HB2 H 1 2.02 . . 2 . . . . . . . . 4326 1 66 . 1 1 8 8 GLN HB3 H 1 2.09 . . 2 . . . . . . . . 4326 1 67 . 1 1 8 8 GLN CG C 13 33.7 . . 1 . . . . . . . . 4326 1 68 . 1 1 8 8 GLN HG2 H 1 2.34 . . 1 . . . . . . . . 4326 1 69 . 1 1 8 8 GLN HG3 H 1 2.34 . . 1 . . . . . . . . 4326 1 70 . 1 1 8 8 GLN NE2 N 15 115.8 . . 1 . . . . . . . . 4326 1 71 . 1 1 8 8 GLN HE21 H 1 6.89 . . 2 . . . . . . . . 4326 1 72 . 1 1 8 8 GLN HE22 H 1 7.59 . . 2 . . . . . . . . 4326 1 73 . 1 1 8 8 GLN C C 13 176.0 . . 1 . . . . . . . . 4326 1 74 . 1 1 9 9 GLU N N 15 125.7 . . 1 . . . . . . . . 4326 1 75 . 1 1 9 9 GLU H H 1 8.47 . . 1 . . . . . . . . 4326 1 76 . 1 1 9 9 GLU CA C 13 56.1 . . 1 . . . . . . . . 4326 1 77 . 1 1 9 9 GLU HA H 1 4.36 . . 1 . . . . . . . . 4326 1 78 . 1 1 9 9 GLU CB C 13 29.5 . . 1 . . . . . . . . 4326 1 79 . 1 1 9 9 GLU HB2 H 1 2.02 . . 2 . . . . . . . . 4326 1 80 . 1 1 9 9 GLU HB3 H 1 2.07 . . 2 . . . . . . . . 4326 1 81 . 1 1 9 9 GLU CG C 13 36.3 . . 1 . . . . . . . . 4326 1 82 . 1 1 9 9 GLU HG2 H 1 2.27 . . 1 . . . . . . . . 4326 1 83 . 1 1 9 9 GLU HG3 H 1 2.27 . . 1 . . . . . . . . 4326 1 84 . 1 1 9 9 GLU C C 13 177.9 . . 1 . . . . . . . . 4326 1 85 . 1 1 10 10 THR N N 15 118.0 . . 1 . . . . . . . . 4326 1 86 . 1 1 10 10 THR H H 1 8.21 . . 1 . . . . . . . . 4326 1 87 . 1 1 10 10 THR CA C 13 60.8 . . 1 . . . . . . . . 4326 1 88 . 1 1 10 10 THR HA H 1 4.45 . . 1 . . . . . . . . 4326 1 89 . 1 1 10 10 THR CB C 13 69.7 . . 1 . . . . . . . . 4326 1 90 . 1 1 10 10 THR HB H 1 4.32 . . 1 . . . . . . . . 4326 1 91 . 1 1 10 10 THR HG21 H 1 1.20 . . 1 . . . . . . . . 4326 1 92 . 1 1 10 10 THR HG22 H 1 1.20 . . 1 . . . . . . . . 4326 1 93 . 1 1 10 10 THR HG23 H 1 1.20 . . 1 . . . . . . . . 4326 1 94 . 1 1 10 10 THR CG2 C 13 20.6 . . 1 . . . . . . . . 4326 1 95 . 1 1 11 11 LEU N N 15 128.6 . . 1 . . . . . . . . 4326 1 96 . 1 1 11 11 LEU H H 1 8.58 . . 1 . . . . . . . . 4326 1 97 . 1 1 11 11 LEU CA C 13 54.6 . . 1 . . . . . . . . 4326 1 98 . 1 1 11 11 LEU HA H 1 4.29 . . 1 . . . . . . . . 4326 1 99 . 1 1 11 11 LEU CB C 13 42.0 . . 1 . . . . . . . . 4326 1 100 . 1 1 11 11 LEU HB2 H 1 1.47 . . 2 . . . . . . . . 4326 1 101 . 1 1 11 11 LEU HB3 H 1 1.61 . . 2 . . . . . . . . 4326 1 102 . 1 1 11 11 LEU CG C 13 27.4 . . 1 . . . . . . . . 4326 1 103 . 1 1 11 11 LEU HG H 1 1.64 . . 1 . . . . . . . . 4326 1 104 . 1 1 11 11 LEU HD11 H 1 0.82 . . 2 . . . . . . . . 4326 1 105 . 1 1 11 11 LEU HD12 H 1 0.82 . . 2 . . . . . . . . 4326 1 106 . 1 1 11 11 LEU HD13 H 1 0.82 . . 2 . . . . . . . . 4326 1 107 . 1 1 11 11 LEU HD21 H 1 0.90 . . 2 . . . . . . . . 4326 1 108 . 1 1 11 11 LEU HD22 H 1 0.90 . . 2 . . . . . . . . 4326 1 109 . 1 1 11 11 LEU HD23 H 1 0.90 . . 2 . . . . . . . . 4326 1 110 . 1 1 11 11 LEU CD1 C 13 24.3 . . 1 . . . . . . . . 4326 1 111 . 1 1 11 11 LEU CD2 C 13 23.3 . . 1 . . . . . . . . 4326 1 112 . 1 1 11 11 LEU C C 13 175.0 . . 1 . . . . . . . . 4326 1 113 . 1 1 12 12 ASN CA C 13 54.6 . . 1 . . . . . . . . 4326 1 114 . 1 1 12 12 ASN HA H 1 4.45 . . 1 . . . . . . . . 4326 1 115 . 1 1 12 12 ASN CB C 13 40.0 . . 1 . . . . . . . . 4326 1 116 . 1 1 12 12 ASN HB2 H 1 2.61 . . 2 . . . . . . . . 4326 1 117 . 1 1 12 12 ASN HB3 H 1 2.81 . . 2 . . . . . . . . 4326 1 118 . 1 1 12 12 ASN ND2 N 15 115.8 . . 1 . . . . . . . . 4326 1 119 . 1 1 12 12 ASN HD21 H 1 6.80 . . 2 . . . . . . . . 4326 1 120 . 1 1 12 12 ASN HD22 H 1 7.52 . . 2 . . . . . . . . 4326 1 121 . 1 1 12 12 ASN C C 13 180.2 . . 1 . . . . . . . . 4326 1 122 . 1 1 13 13 GLY N N 15 112.5 . . 1 . . . . . . . . 4326 1 123 . 1 1 13 13 GLY H H 1 8.12 . . 1 . . . . . . . . 4326 1 124 . 1 1 13 13 GLY CA C 13 47.3 . . 1 . . . . . . . . 4326 1 125 . 1 1 13 13 GLY HA2 H 1 3.90 . . 1 . . . . . . . . 4326 1 126 . 1 1 13 13 GLY HA3 H 1 3.90 . . 1 . . . . . . . . 4326 1 127 . 1 1 14 14 GLY N N 15 111.3 . . 1 . . . . . . . . 4326 1 128 . 1 1 14 14 GLY H H 1 8.51 . . 1 . . . . . . . . 4326 1 129 . 1 1 14 14 GLY CA C 13 44.7 . . 1 . . . . . . . . 4326 1 130 . 1 1 14 14 GLY HA2 H 1 3.93 . . 1 . . . . . . . . 4326 1 131 . 1 1 14 14 GLY HA3 H 1 3.93 . . 1 . . . . . . . . 4326 1 132 . 1 1 14 14 GLY C C 13 176.7 . . 1 . . . . . . . . 4326 1 133 . 1 1 15 15 ILE N N 15 123.6 . . 1 . . . . . . . . 4326 1 134 . 1 1 15 15 ILE H H 1 7.71 . . 1 . . . . . . . . 4326 1 135 . 1 1 15 15 ILE CA C 13 65.0 . . 1 . . . . . . . . 4326 1 136 . 1 1 15 15 ILE HA H 1 3.28 . . 1 . . . . . . . . 4326 1 137 . 1 1 15 15 ILE CB C 13 38.4 . . 1 . . . . . . . . 4326 1 138 . 1 1 15 15 ILE HB H 1 1.82 . . 1 . . . . . . . . 4326 1 139 . 1 1 15 15 ILE HG21 H 1 0.84 . . 1 . . . . . . . . 4326 1 140 . 1 1 15 15 ILE HG22 H 1 0.84 . . 1 . . . . . . . . 4326 1 141 . 1 1 15 15 ILE HG23 H 1 0.84 . . 1 . . . . . . . . 4326 1 142 . 1 1 15 15 ILE CG2 C 13 18.6 . . 1 . . . . . . . . 4326 1 143 . 1 1 15 15 ILE CG1 C 13 28.5 . . 1 . . . . . . . . 4326 1 144 . 1 1 15 15 ILE HG12 H 1 2.08 . . 1 . . . . . . . . 4326 1 145 . 1 1 15 15 ILE HG13 H 1 2.08 . . 1 . . . . . . . . 4326 1 146 . 1 1 15 15 ILE HD11 H 1 0.98 . . 1 . . . . . . . . 4326 1 147 . 1 1 15 15 ILE HD12 H 1 0.98 . . 1 . . . . . . . . 4326 1 148 . 1 1 15 15 ILE HD13 H 1 0.98 . . 1 . . . . . . . . 4326 1 149 . 1 1 15 15 ILE CD1 C 13 14.4 . . 1 . . . . . . . . 4326 1 150 . 1 1 15 15 ILE C C 13 177.2 . . 1 . . . . . . . . 4326 1 151 . 1 1 16 16 THR N N 15 118.0 . . 1 . . . . . . . . 4326 1 152 . 1 1 16 16 THR H H 1 8.30 . . 1 . . . . . . . . 4326 1 153 . 1 1 16 16 THR CA C 13 67.6 . . 1 . . . . . . . . 4326 1 154 . 1 1 16 16 THR HA H 1 3.65 . . 1 . . . . . . . . 4326 1 155 . 1 1 16 16 THR CB C 13 67.6 . . 1 . . . . . . . . 4326 1 156 . 1 1 16 16 THR HB H 1 4.25 . . 1 . . . . . . . . 4326 1 157 . 1 1 16 16 THR HG21 H 1 1.22 . . 1 . . . . . . . . 4326 1 158 . 1 1 16 16 THR HG22 H 1 1.22 . . 1 . . . . . . . . 4326 1 159 . 1 1 16 16 THR HG23 H 1 1.22 . . 1 . . . . . . . . 4326 1 160 . 1 1 16 16 THR CG2 C 13 22.7 . . 1 . . . . . . . . 4326 1 161 . 1 1 16 16 THR C C 13 176.4 . . 1 . . . . . . . . 4326 1 162 . 1 1 17 17 ASP N N 15 124.0 . . 1 . . . . . . . . 4326 1 163 . 1 1 17 17 ASP H H 1 8.55 . . 1 . . . . . . . . 4326 1 164 . 1 1 17 17 ASP CA C 13 57.2 . . 1 . . . . . . . . 4326 1 165 . 1 1 17 17 ASP HA H 1 4.29 . . 1 . . . . . . . . 4326 1 166 . 1 1 17 17 ASP HB2 H 1 2.56 . . 2 . . . . . . . . 4326 1 167 . 1 1 17 17 ASP HB3 H 1 2.76 . . 2 . . . . . . . . 4326 1 168 . 1 1 17 17 ASP C C 13 179.3 . . 1 . . . . . . . . 4326 1 169 . 1 1 18 18 MET N N 15 124.0 . . 1 . . . . . . . . 4326 1 170 . 1 1 18 18 MET H H 1 7.27 . . 1 . . . . . . . . 4326 1 171 . 1 1 18 18 MET CA C 13 58.7 . . 1 . . . . . . . . 4326 1 172 . 1 1 18 18 MET HA H 1 3.91 . . 1 . . . . . . . . 4326 1 173 . 1 1 18 18 MET CB C 13 32.1 . . 1 . . . . . . . . 4326 1 174 . 1 1 18 18 MET HB2 H 1 1.77 . . 1 . . . . . . . . 4326 1 175 . 1 1 18 18 MET HB3 H 1 1.77 . . 1 . . . . . . . . 4326 1 176 . 1 1 18 18 MET HG2 H 1 1.43 . . 1 . . . . . . . . 4326 1 177 . 1 1 18 18 MET HG3 H 1 1.43 . . 1 . . . . . . . . 4326 1 178 . 1 1 18 18 MET HE1 H 1 2.07 . . 1 . . . . . . . . 4326 1 179 . 1 1 18 18 MET HE2 H 1 2.07 . . 1 . . . . . . . . 4326 1 180 . 1 1 18 18 MET HE3 H 1 2.07 . . 1 . . . . . . . . 4326 1 181 . 1 1 18 18 MET C C 13 178.5 . . 1 . . . . . . . . 4326 1 182 . 1 1 19 19 LEU N N 15 124.4 . . 1 . . . . . . . . 4326 1 183 . 1 1 19 19 LEU H H 1 8.03 . . 1 . . . . . . . . 4326 1 184 . 1 1 19 19 LEU CA C 13 57.7 . . 1 . . . . . . . . 4326 1 185 . 1 1 19 19 LEU HA H 1 3.83 . . 1 . . . . . . . . 4326 1 186 . 1 1 19 19 LEU HB2 H 1 1.40 . . 2 . . . . . . . . 4326 1 187 . 1 1 19 19 LEU HB3 H 1 1.85 . . 2 . . . . . . . . 4326 1 188 . 1 1 19 19 LEU CG C 13 27.4 . . 1 . . . . . . . . 4326 1 189 . 1 1 19 19 LEU HG H 1 1.66 . . 1 . . . . . . . . 4326 1 190 . 1 1 19 19 LEU HD11 H 1 0.82 . . 2 . . . . . . . . 4326 1 191 . 1 1 19 19 LEU HD12 H 1 0.82 . . 2 . . . . . . . . 4326 1 192 . 1 1 19 19 LEU HD13 H 1 0.82 . . 2 . . . . . . . . 4326 1 193 . 1 1 19 19 LEU HD21 H 1 0.69 . . 2 . . . . . . . . 4326 1 194 . 1 1 19 19 LEU HD22 H 1 0.69 . . 2 . . . . . . . . 4326 1 195 . 1 1 19 19 LEU HD23 H 1 0.69 . . 2 . . . . . . . . 4326 1 196 . 1 1 19 19 LEU CD1 C 13 26.4 . . 1 . . . . . . . . 4326 1 197 . 1 1 19 19 LEU CD2 C 13 22.7 . . 1 . . . . . . . . 4326 1 198 . 1 1 19 19 LEU C C 13 179.5 . . 1 . . . . . . . . 4326 1 199 . 1 1 20 20 VAL N N 15 124.0 . . 1 . . . . . . . . 4326 1 200 . 1 1 20 20 VAL H H 1 8.29 . . 1 . . . . . . . . 4326 1 201 . 1 1 20 20 VAL CA C 13 67.1 . . 1 . . . . . . . . 4326 1 202 . 1 1 20 20 VAL HA H 1 3.44 . . 1 . . . . . . . . 4326 1 203 . 1 1 20 20 VAL CB C 13 31.1 . . 1 . . . . . . . . 4326 1 204 . 1 1 20 20 VAL HB H 1 2.14 . . 1 . . . . . . . . 4326 1 205 . 1 1 20 20 VAL HG11 H 1 0.94 . . 2 . . . . . . . . 4326 1 206 . 1 1 20 20 VAL HG12 H 1 0.94 . . 2 . . . . . . . . 4326 1 207 . 1 1 20 20 VAL HG13 H 1 0.94 . . 2 . . . . . . . . 4326 1 208 . 1 1 20 20 VAL HG21 H 1 1.01 . . 2 . . . . . . . . 4326 1 209 . 1 1 20 20 VAL HG22 H 1 1.01 . . 2 . . . . . . . . 4326 1 210 . 1 1 20 20 VAL HG23 H 1 1.01 . . 2 . . . . . . . . 4326 1 211 . 1 1 20 20 VAL CG1 C 13 20.6 . . 1 . . . . . . . . 4326 1 212 . 1 1 20 20 VAL CG2 C 13 22.7 . . 1 . . . . . . . . 4326 1 213 . 1 1 20 20 VAL C C 13 178.4 . . 1 . . . . . . . . 4326 1 214 . 1 1 21 21 GLU N N 15 124.4 . . 1 . . . . . . . . 4326 1 215 . 1 1 21 21 GLU H H 1 7.90 . . 1 . . . . . . . . 4326 1 216 . 1 1 21 21 GLU CA C 13 59.3 . . 1 . . . . . . . . 4326 1 217 . 1 1 21 21 GLU HA H 1 4.14 . . 1 . . . . . . . . 4326 1 218 . 1 1 21 21 GLU CB C 13 30.6 . . 1 . . . . . . . . 4326 1 219 . 1 1 21 21 GLU HB2 H 1 2.11 . . 1 . . . . . . . . 4326 1 220 . 1 1 21 21 GLU HB3 H 1 2.11 . . 1 . . . . . . . . 4326 1 221 . 1 1 21 21 GLU CG C 13 35.8 . . 1 . . . . . . . . 4326 1 222 . 1 1 21 21 GLU HG2 H 1 2.26 . . 1 . . . . . . . . 4326 1 223 . 1 1 21 21 GLU HG3 H 1 2.26 . . 1 . . . . . . . . 4326 1 224 . 1 1 21 21 GLU C C 13 179.7 . . 1 . . . . . . . . 4326 1 225 . 1 1 22 22 LEU N N 15 124.8 . . 1 . . . . . . . . 4326 1 226 . 1 1 22 22 LEU H H 1 8.12 . . 1 . . . . . . . . 4326 1 227 . 1 1 22 22 LEU CA C 13 57.7 . . 1 . . . . . . . . 4326 1 228 . 1 1 22 22 LEU HA H 1 4.05 . . 1 . . . . . . . . 4326 1 229 . 1 1 22 22 LEU CB C 13 40.0 . . 1 . . . . . . . . 4326 1 230 . 1 1 22 22 LEU HB2 H 1 0.89 . . 2 . . . . . . . . 4326 1 231 . 1 1 22 22 LEU HB3 H 1 1.30 . . 2 . . . . . . . . 4326 1 232 . 1 1 22 22 LEU CG C 13 26.4 . . 1 . . . . . . . . 4326 1 233 . 1 1 22 22 LEU HG H 1 1.56 . . 1 . . . . . . . . 4326 1 234 . 1 1 22 22 LEU HD11 H 1 0.72 . . 2 . . . . . . . . 4326 1 235 . 1 1 22 22 LEU HD12 H 1 0.72 . . 2 . . . . . . . . 4326 1 236 . 1 1 22 22 LEU HD13 H 1 0.72 . . 2 . . . . . . . . 4326 1 237 . 1 1 22 22 LEU HD21 H 1 0.57 . . 2 . . . . . . . . 4326 1 238 . 1 1 22 22 LEU HD22 H 1 0.57 . . 2 . . . . . . . . 4326 1 239 . 1 1 22 22 LEU HD23 H 1 0.57 . . 2 . . . . . . . . 4326 1 240 . 1 1 22 22 LEU CD1 C 13 22.7 . . 1 . . . . . . . . 4326 1 241 . 1 1 22 22 LEU CD2 C 13 24.8 . . 1 . . . . . . . . 4326 1 242 . 1 1 22 22 LEU C C 13 179.7 . . 1 . . . . . . . . 4326 1 243 . 1 1 23 23 ALA N N 15 124.8 . . 1 . . . . . . . . 4326 1 244 . 1 1 23 23 ALA H H 1 8.51 . . 1 . . . . . . . . 4326 1 245 . 1 1 23 23 ALA CA C 13 55.1 . . 1 . . . . . . . . 4326 1 246 . 1 1 23 23 ALA HA H 1 4.12 . . 1 . . . . . . . . 4326 1 247 . 1 1 23 23 ALA HB1 H 1 1.67 . . 1 . . . . . . . . 4326 1 248 . 1 1 23 23 ALA HB2 H 1 1.67 . . 1 . . . . . . . . 4326 1 249 . 1 1 23 23 ALA HB3 H 1 1.67 . . 1 . . . . . . . . 4326 1 250 . 1 1 23 23 ALA CB C 13 17.5 . . 1 . . . . . . . . 4326 1 251 . 1 1 23 23 ALA C C 13 179.7 . . 1 . . . . . . . . 4326 1 252 . 1 1 24 24 ASN N N 15 120.2 . . 1 . . . . . . . . 4326 1 253 . 1 1 24 24 ASN H H 1 8.47 . . 1 . . . . . . . . 4326 1 254 . 1 1 24 24 ASN CA C 13 56.1 . . 1 . . . . . . . . 4326 1 255 . 1 1 24 24 ASN HA H 1 4.54 . . 1 . . . . . . . . 4326 1 256 . 1 1 24 24 ASN CB C 13 37.1 . . 1 . . . . . . . . 4326 1 257 . 1 1 24 24 ASN HB2 H 1 2.83 . . 2 . . . . . . . . 4326 1 258 . 1 1 24 24 ASN HB3 H 1 2.98 . . 2 . . . . . . . . 4326 1 259 . 1 1 24 24 ASN ND2 N 15 116.0 . . 1 . . . . . . . . 4326 1 260 . 1 1 24 24 ASN HD21 H 1 6.96 . . 2 . . . . . . . . 4326 1 261 . 1 1 24 24 ASN HD22 H 1 7.63 . . 2 . . . . . . . . 4326 1 262 . 1 1 24 24 ASN C C 13 177.5 . . 1 . . . . . . . . 4326 1 263 . 1 1 25 25 PHE N N 15 125.7 . . 1 . . . . . . . . 4326 1 264 . 1 1 25 25 PHE H H 1 8.18 . . 1 . . . . . . . . 4326 1 265 . 1 1 25 25 PHE CA C 13 61.3 . . 1 . . . . . . . . 4326 1 266 . 1 1 25 25 PHE HA H 1 4.31 . . 1 . . . . . . . . 4326 1 267 . 1 1 25 25 PHE CB C 13 39.0 . . 1 . . . . . . . . 4326 1 268 . 1 1 25 25 PHE HB2 H 1 3.42 . . 2 . . . . . . . . 4326 1 269 . 1 1 25 25 PHE HB3 H 1 3.28 . . 2 . . . . . . . . 4326 1 270 . 1 1 25 25 PHE HD1 H 1 7.24 . . 1 . . . . . . . . 4326 1 271 . 1 1 25 25 PHE HD2 H 1 7.24 . . 1 . . . . . . . . 4326 1 272 . 1 1 25 25 PHE HE1 H 1 7.36 . . 1 . . . . . . . . 4326 1 273 . 1 1 25 25 PHE HE2 H 1 7.36 . . 1 . . . . . . . . 4326 1 274 . 1 1 25 25 PHE HZ H 1 7.30 . . 1 . . . . . . . . 4326 1 275 . 1 1 25 25 PHE C C 13 178.3 . . 1 . . . . . . . . 4326 1 276 . 1 1 26 26 GLU N N 15 122.3 . . 1 . . . . . . . . 4326 1 277 . 1 1 26 26 GLU H H 1 8.43 . . 1 . . . . . . . . 4326 1 278 . 1 1 26 26 GLU CA C 13 57.7 . . 1 . . . . . . . . 4326 1 279 . 1 1 26 26 GLU HA H 1 4.42 . . 1 . . . . . . . . 4326 1 280 . 1 1 26 26 GLU CB C 13 30.0 . . 1 . . . . . . . . 4326 1 281 . 1 1 26 26 GLU HB2 H 1 2.08 . . 1 . . . . . . . . 4326 1 282 . 1 1 26 26 GLU HB3 H 1 2.08 . . 1 . . . . . . . . 4326 1 283 . 1 1 26 26 GLU CG C 13 36.3 . . 1 . . . . . . . . 4326 1 284 . 1 1 26 26 GLU HG2 H 1 2.40 . . 1 . . . . . . . . 4326 1 285 . 1 1 26 26 GLU HG3 H 1 2.40 . . 1 . . . . . . . . 4326 1 286 . 1 1 26 26 GLU C C 13 179.5 . . 1 . . . . . . . . 4326 1 287 . 1 1 27 27 LYS N N 15 121.4 . . 1 . . . . . . . . 4326 1 288 . 1 1 27 27 LYS H H 1 8.28 . . 1 . . . . . . . . 4326 1 289 . 1 1 27 27 LYS CA C 13 59.3 . . 1 . . . . . . . . 4326 1 290 . 1 1 27 27 LYS HA H 1 3.61 . . 1 . . . . . . . . 4326 1 291 . 1 1 27 27 LYS HB2 H 1 1.67 . . 1 . . . . . . . . 4326 1 292 . 1 1 27 27 LYS HB3 H 1 1.67 . . 1 . . . . . . . . 4326 1 293 . 1 1 27 27 LYS HG2 H 1 1.46 . . 1 . . . . . . . . 4326 1 294 . 1 1 27 27 LYS HG3 H 1 1.46 . . 1 . . . . . . . . 4326 1 295 . 1 1 27 27 LYS C C 13 177.1 . . 1 . . . . . . . . 4326 1 296 . 1 1 28 28 ASN N N 15 116.8 . . 1 . . . . . . . . 4326 1 297 . 1 1 28 28 ASN H H 1 8.33 . . 1 . . . . . . . . 4326 1 298 . 1 1 28 28 ASN CA C 13 54.6 . . 1 . . . . . . . . 4326 1 299 . 1 1 28 28 ASN HA H 1 4.49 . . 1 . . . . . . . . 4326 1 300 . 1 1 28 28 ASN CB C 13 38.4 . . 1 . . . . . . . . 4326 1 301 . 1 1 28 28 ASN HB2 H 1 2.77 . . 1 . . . . . . . . 4326 1 302 . 1 1 28 28 ASN HB3 H 1 2.77 . . 1 . . . . . . . . 4326 1 303 . 1 1 28 28 ASN ND2 N 15 116.2 . . 1 . . . . . . . . 4326 1 304 . 1 1 28 28 ASN HD21 H 1 6.97 . . 2 . . . . . . . . 4326 1 305 . 1 1 28 28 ASN HD22 H 1 7.51 . . 2 . . . . . . . . 4326 1 306 . 1 1 28 28 ASN C C 13 176.5 . . 1 . . . . . . . . 4326 1 307 . 1 1 29 29 VAL N N 15 123.1 . . 1 . . . . . . . . 4326 1 308 . 1 1 29 29 VAL H H 1 8.32 . . 1 . . . . . . . . 4326 1 309 . 1 1 29 29 VAL CA C 13 64.5 . . 1 . . . . . . . . 4326 1 310 . 1 1 29 29 VAL HA H 1 3.96 . . 1 . . . . . . . . 4326 1 311 . 1 1 29 29 VAL CB C 13 31.1 . . 1 . . . . . . . . 4326 1 312 . 1 1 29 29 VAL HB H 1 1.30 . . 1 . . . . . . . . 4326 1 313 . 1 1 29 29 VAL CG1 C 13 21.2 . . 1 . . . . . . . . 4326 1 314 . 1 1 29 29 VAL HG11 H 1 0.71 . . 1 . . . . . . . . 4326 1 315 . 1 1 29 29 VAL HG12 H 1 0.71 . . 1 . . . . . . . . 4326 1 316 . 1 1 29 29 VAL HG13 H 1 0.71 . . 1 . . . . . . . . 4326 1 317 . 1 1 29 29 VAL HG21 H 1 0.71 . . 1 . . . . . . . . 4326 1 318 . 1 1 29 29 VAL HG22 H 1 0.71 . . 1 . . . . . . . . 4326 1 319 . 1 1 29 29 VAL HG23 H 1 0.71 . . 1 . . . . . . . . 4326 1 320 . 1 1 29 29 VAL C C 13 177.2 . . 1 . . . . . . . . 4326 1 321 . 1 1 30 30 SER N N 15 116.8 . . 1 . . . . . . . . 4326 1 322 . 1 1 30 30 SER H H 1 7.28 . . 1 . . . . . . . . 4326 1 323 . 1 1 30 30 SER CA C 13 58.7 . . 1 . . . . . . . . 4326 1 324 . 1 1 30 30 SER HA H 1 4.28 . . 1 . . . . . . . . 4326 1 325 . 1 1 30 30 SER CB C 13 62.9 . . 1 . . . . . . . . 4326 1 326 . 1 1 30 30 SER HB2 H 1 3.94 . . 1 . . . . . . . . 4326 1 327 . 1 1 30 30 SER HB3 H 1 3.94 . . 1 . . . . . . . . 4326 1 328 . 1 1 31 31 GLN N N 15 118.5 . . 1 . . . . . . . . 4326 1 329 . 1 1 31 31 GLN H H 1 7.45 . . 1 . . . . . . . . 4326 1 330 . 1 1 31 31 GLN CA C 13 56.7 . . 1 . . . . . . . . 4326 1 331 . 1 1 31 31 GLN HA H 1 3.97 . . 1 . . . . . . . . 4326 1 332 . 1 1 31 31 GLN CB C 13 25.9 . . 1 . . . . . . . . 4326 1 333 . 1 1 31 31 GLN HB2 H 1 2.19 . . 2 . . . . . . . . 4326 1 334 . 1 1 31 31 GLN HB3 H 1 2.23 . . 2 . . . . . . . . 4326 1 335 . 1 1 31 31 GLN CG C 13 33.7 . . 1 . . . . . . . . 4326 1 336 . 1 1 31 31 GLN HG2 H 1 2.19 . . 1 . . . . . . . . 4326 1 337 . 1 1 31 31 GLN HG3 H 1 2.19 . . 1 . . . . . . . . 4326 1 338 . 1 1 31 31 GLN NE2 N 15 115.1 . . 1 . . . . . . . . 4326 1 339 . 1 1 31 31 GLN HE21 H 1 6.72 . . 2 . . . . . . . . 4326 1 340 . 1 1 31 31 GLN HE22 H 1 7.34 . . 2 . . . . . . . . 4326 1 341 . 1 1 31 31 GLN C C 13 178.2 . . 1 . . . . . . . . 4326 1 342 . 1 1 32 32 ALA N N 15 127.4 . . 1 . . . . . . . . 4326 1 343 . 1 1 32 32 ALA H H 1 8.18 . . 1 . . . . . . . . 4326 1 344 . 1 1 32 32 ALA CA C 13 52.0 . . 1 . . . . . . . . 4326 1 345 . 1 1 32 32 ALA HA H 1 4.26 . . 1 . . . . . . . . 4326 1 346 . 1 1 32 32 ALA HB1 H 1 1.34 . . 1 . . . . . . . . 4326 1 347 . 1 1 32 32 ALA HB2 H 1 1.34 . . 1 . . . . . . . . 4326 1 348 . 1 1 32 32 ALA HB3 H 1 1.34 . . 1 . . . . . . . . 4326 1 349 . 1 1 32 32 ALA CB C 13 18.6 . . 1 . . . . . . . . 4326 1 350 . 1 1 32 32 ALA C C 13 176.6 . . 1 . . . . . . . . 4326 1 351 . 1 1 33 33 ILE N N 15 127.4 . . 1 . . . . . . . . 4326 1 352 . 1 1 33 33 ILE H H 1 8.32 . . 1 . . . . . . . . 4326 1 353 . 1 1 33 33 ILE CA C 13 62.4 . . 1 . . . . . . . . 4326 1 354 . 1 1 33 33 ILE HA H 1 3.86 . . 1 . . . . . . . . 4326 1 355 . 1 1 33 33 ILE CB C 13 37.3 . . 1 . . . . . . . . 4326 1 356 . 1 1 33 33 ILE HB H 1 1.97 . . 1 . . . . . . . . 4326 1 357 . 1 1 33 33 ILE HG21 H 1 0.90 . . 1 . . . . . . . . 4326 1 358 . 1 1 33 33 ILE HG22 H 1 0.90 . . 1 . . . . . . . . 4326 1 359 . 1 1 33 33 ILE HG23 H 1 0.90 . . 1 . . . . . . . . 4326 1 360 . 1 1 33 33 ILE CG2 C 13 18.0 . . 1 . . . . . . . . 4326 1 361 . 1 1 33 33 ILE CG1 C 13 28.5 . . 1 . . . . . . . . 4326 1 362 . 1 1 33 33 ILE HG12 H 1 1.42 . . 1 . . . . . . . . 4326 1 363 . 1 1 33 33 ILE HG13 H 1 1.42 . . 1 . . . . . . . . 4326 1 364 . 1 1 33 33 ILE HD11 H 1 0.73 . . 1 . . . . . . . . 4326 1 365 . 1 1 33 33 ILE HD12 H 1 0.73 . . 1 . . . . . . . . 4326 1 366 . 1 1 33 33 ILE HD13 H 1 0.73 . . 1 . . . . . . . . 4326 1 367 . 1 1 33 33 ILE CD1 C 13 11.3 . . 1 . . . . . . . . 4326 1 368 . 1 1 34 34 HIS CA C 13 58.2 . . 1 . . . . . . . . 4326 1 369 . 1 1 34 34 HIS HA H 1 4.58 . . 1 . . . . . . . . 4326 1 370 . 1 1 34 34 HIS CB C 13 29.0 . . 1 . . . . . . . . 4326 1 371 . 1 1 34 34 HIS HB2 H 1 3.14 . . 1 . . . . . . . . 4326 1 372 . 1 1 34 34 HIS HB3 H 1 3.14 . . 1 . . . . . . . . 4326 1 373 . 1 1 34 34 HIS HD2 H 1 7.92 . . 1 . . . . . . . . 4326 1 374 . 1 1 34 34 HIS HE1 H 1 7.12 . . 1 . . . . . . . . 4326 1 375 . 1 1 34 34 HIS C C 13 179.2 . . 1 . . . . . . . . 4326 1 376 . 1 1 35 35 LYS N N 15 124.4 . . 1 . . . . . . . . 4326 1 377 . 1 1 35 35 LYS H H 1 6.91 . . 1 . . . . . . . . 4326 1 378 . 1 1 35 35 LYS CA C 13 58.7 . . 1 . . . . . . . . 4326 1 379 . 1 1 35 35 LYS HA H 1 3.96 . . 1 . . . . . . . . 4326 1 380 . 1 1 35 35 LYS HB2 H 1 1.81 . . 1 . . . . . . . . 4326 1 381 . 1 1 35 35 LYS HB3 H 1 1.81 . . 1 . . . . . . . . 4326 1 382 . 1 1 35 35 LYS CG C 13 25.3 . . 1 . . . . . . . . 4326 1 383 . 1 1 35 35 LYS HG2 H 1 1.08 . . 1 . . . . . . . . 4326 1 384 . 1 1 35 35 LYS HG3 H 1 1.08 . . 1 . . . . . . . . 4326 1 385 . 1 1 35 35 LYS CD C 13 28.0 . . 1 . . . . . . . . 4326 1 386 . 1 1 35 35 LYS HD2 H 1 1.62 . . 1 . . . . . . . . 4326 1 387 . 1 1 35 35 LYS HD3 H 1 1.62 . . 1 . . . . . . . . 4326 1 388 . 1 1 35 35 LYS CE C 13 42.0 . . 1 . . . . . . . . 4326 1 389 . 1 1 35 35 LYS HE2 H 1 2.92 . . 1 . . . . . . . . 4326 1 390 . 1 1 35 35 LYS HE3 H 1 2.92 . . 1 . . . . . . . . 4326 1 391 . 1 1 35 35 LYS C C 13 178.0 . . 1 . . . . . . . . 4326 1 392 . 1 1 36 36 TYR N N 15 123.6 . . 1 . . . . . . . . 4326 1 393 . 1 1 36 36 TYR H H 1 7.83 . . 1 . . . . . . . . 4326 1 394 . 1 1 36 36 TYR CA C 13 60.8 . . 1 . . . . . . . . 4326 1 395 . 1 1 36 36 TYR HA H 1 4.28 . . 1 . . . . . . . . 4326 1 396 . 1 1 36 36 TYR CB C 13 36.8 . . 1 . . . . . . . . 4326 1 397 . 1 1 36 36 TYR HB2 H 1 3.07 . . 2 . . . . . . . . 4326 1 398 . 1 1 36 36 TYR HB3 H 1 3.31 . . 2 . . . . . . . . 4326 1 399 . 1 1 36 36 TYR HD1 H 1 7.29 . . 1 . . . . . . . . 4326 1 400 . 1 1 36 36 TYR HD2 H 1 7.29 . . 1 . . . . . . . . 4326 1 401 . 1 1 36 36 TYR HE1 H 1 6.87 . . 1 . . . . . . . . 4326 1 402 . 1 1 36 36 TYR HE2 H 1 6.87 . . 1 . . . . . . . . 4326 1 403 . 1 1 36 36 TYR C C 13 176.0 . . 1 . . . . . . . . 4326 1 404 . 1 1 37 37 ASN N N 15 120.2 . . 1 . . . . . . . . 4326 1 405 . 1 1 37 37 ASN H H 1 8.58 . . 1 . . . . . . . . 4326 1 406 . 1 1 37 37 ASN CA C 13 55.6 . . 1 . . . . . . . . 4326 1 407 . 1 1 37 37 ASN HA H 1 4.16 . . 1 . . . . . . . . 4326 1 408 . 1 1 37 37 ASN CB C 13 37.3 . . 1 . . . . . . . . 4326 1 409 . 1 1 37 37 ASN HB2 H 1 2.77 . . 2 . . . . . . . . 4326 1 410 . 1 1 37 37 ASN HB3 H 1 2.87 . . 2 . . . . . . . . 4326 1 411 . 1 1 37 37 ASN ND2 N 15 115.5 . . 1 . . . . . . . . 4326 1 412 . 1 1 37 37 ASN HD21 H 1 7.05 . . 2 . . . . . . . . 4326 1 413 . 1 1 37 37 ASN HD22 H 1 7.75 . . 2 . . . . . . . . 4326 1 414 . 1 1 37 37 ASN C C 13 178.1 . . 1 . . . . . . . . 4326 1 415 . 1 1 38 38 ALA N N 15 126.5 . . 1 . . . . . . . . 4326 1 416 . 1 1 38 38 ALA H H 1 7.82 . . 1 . . . . . . . . 4326 1 417 . 1 1 38 38 ALA CA C 13 54.6 . . 1 . . . . . . . . 4326 1 418 . 1 1 38 38 ALA HA H 1 4.12 . . 1 . . . . . . . . 4326 1 419 . 1 1 38 38 ALA HB1 H 1 1.38 . . 1 . . . . . . . . 4326 1 420 . 1 1 38 38 ALA HB2 H 1 1.38 . . 1 . . . . . . . . 4326 1 421 . 1 1 38 38 ALA HB3 H 1 1.38 . . 1 . . . . . . . . 4326 1 422 . 1 1 38 38 ALA CB C 13 17.5 . . 1 . . . . . . . . 4326 1 423 . 1 1 38 38 ALA C C 13 181.3 . . 1 . . . . . . . . 4326 1 424 . 1 1 39 39 TYR N N 15 121.9 . . 1 . . . . . . . . 4326 1 425 . 1 1 39 39 TYR H H 1 8.43 . . 1 . . . . . . . . 4326 1 426 . 1 1 39 39 TYR CA C 13 60.8 . . 1 . . . . . . . . 4326 1 427 . 1 1 39 39 TYR HA H 1 4.36 . . 1 . . . . . . . . 4326 1 428 . 1 1 39 39 TYR CB C 13 37.9 . . 1 . . . . . . . . 4326 1 429 . 1 1 39 39 TYR HB2 H 1 2.87 . . 2 . . . . . . . . 4326 1 430 . 1 1 39 39 TYR HB3 H 1 3.23 . . 2 . . . . . . . . 4326 1 431 . 1 1 39 39 TYR HD1 H 1 6.93 . . 1 . . . . . . . . 4326 1 432 . 1 1 39 39 TYR HD2 H 1 6.93 . . 1 . . . . . . . . 4326 1 433 . 1 1 39 39 TYR HE1 H 1 6.76 . . 1 . . . . . . . . 4326 1 434 . 1 1 39 39 TYR HE2 H 1 6.76 . . 1 . . . . . . . . 4326 1 435 . 1 1 39 39 TYR C C 13 178.5 . . 1 . . . . . . . . 4326 1 436 . 1 1 40 40 ARG N N 15 121.4 . . 1 . . . . . . . . 4326 1 437 . 1 1 40 40 ARG H H 1 8.21 . . 1 . . . . . . . . 4326 1 438 . 1 1 40 40 ARG CA C 13 59.3 . . 1 . . . . . . . . 4326 1 439 . 1 1 40 40 ARG HA H 1 3.81 . . 1 . . . . . . . . 4326 1 440 . 1 1 40 40 ARG CB C 13 30.0 . . 1 . . . . . . . . 4326 1 441 . 1 1 40 40 ARG HB2 H 1 1.64 . . 1 . . . . . . . . 4326 1 442 . 1 1 40 40 ARG HB3 H 1 1.64 . . 1 . . . . . . . . 4326 1 443 . 1 1 40 40 ARG CG C 13 28.1 . . 1 . . . . . . . . 4326 1 444 . 1 1 40 40 ARG HG2 H 1 1.33 . . 1 . . . . . . . . 4326 1 445 . 1 1 40 40 ARG HG3 H 1 1.33 . . 1 . . . . . . . . 4326 1 446 . 1 1 40 40 ARG CD C 13 41.9 . . 1 . . . . . . . . 4326 1 447 . 1 1 40 40 ARG HD2 H 1 2.73 . . 2 . . . . . . . . 4326 1 448 . 1 1 40 40 ARG HD3 H 1 2.90 . . 2 . . . . . . . . 4326 1 449 . 1 1 40 40 ARG C C 13 179.6 . . 1 . . . . . . . . 4326 1 450 . 1 1 41 41 LYS N N 15 124.4 . . 1 . . . . . . . . 4326 1 451 . 1 1 41 41 LYS H H 1 8.21 . . 1 . . . . . . . . 4326 1 452 . 1 1 41 41 LYS CA C 13 58.7 . . 1 . . . . . . . . 4326 1 453 . 1 1 41 41 LYS HA H 1 4.11 . . 1 . . . . . . . . 4326 1 454 . 1 1 41 41 LYS HB2 H 1 1.93 . . 1 . . . . . . . . 4326 1 455 . 1 1 41 41 LYS HB3 H 1 1.93 . . 1 . . . . . . . . 4326 1 456 . 1 1 41 41 LYS CG C 13 24.3 . . 1 . . . . . . . . 4326 1 457 . 1 1 41 41 LYS HG2 H 1 1.47 . . 1 . . . . . . . . 4326 1 458 . 1 1 41 41 LYS HG3 H 1 1.47 . . 1 . . . . . . . . 4326 1 459 . 1 1 41 41 LYS HE2 H 1 3.06 . . 1 . . . . . . . . 4326 1 460 . 1 1 41 41 LYS HE3 H 1 3.06 . . 1 . . . . . . . . 4326 1 461 . 1 1 41 41 LYS C C 13 177.0 . . 1 . . . . . . . . 4326 1 462 . 1 1 42 42 ALA N N 15 123.6 . . 1 . . . . . . . . 4326 1 463 . 1 1 42 42 ALA H H 1 7.76 . . 1 . . . . . . . . 4326 1 464 . 1 1 42 42 ALA CA C 13 54.0 . . 1 . . . . . . . . 4326 1 465 . 1 1 42 42 ALA HA H 1 3.95 . . 1 . . . . . . . . 4326 1 466 . 1 1 42 42 ALA HB1 H 1 1.60 . . 1 . . . . . . . . 4326 1 467 . 1 1 42 42 ALA HB2 H 1 1.60 . . 1 . . . . . . . . 4326 1 468 . 1 1 42 42 ALA HB3 H 1 1.60 . . 1 . . . . . . . . 4326 1 469 . 1 1 42 42 ALA CB C 13 19.1 . . 1 . . . . . . . . 4326 1 470 . 1 1 42 42 ALA C C 13 179.0 . . 1 . . . . . . . . 4326 1 471 . 1 1 43 43 ALA N N 15 122.3 . . 1 . . . . . . . . 4326 1 472 . 1 1 43 43 ALA H H 1 8.29 . . 1 . . . . . . . . 4326 1 473 . 1 1 43 43 ALA CA C 13 55.1 . . 1 . . . . . . . . 4326 1 474 . 1 1 43 43 ALA HA H 1 3.81 . . 1 . . . . . . . . 4326 1 475 . 1 1 43 43 ALA HB1 H 1 1.53 . . 1 . . . . . . . . 4326 1 476 . 1 1 43 43 ALA HB2 H 1 1.53 . . 1 . . . . . . . . 4326 1 477 . 1 1 43 43 ALA HB3 H 1 1.53 . . 1 . . . . . . . . 4326 1 478 . 1 1 43 43 ALA CB C 13 17.5 . . 1 . . . . . . . . 4326 1 479 . 1 1 43 43 ALA C C 13 178.8 . . 1 . . . . . . . . 4326 1 480 . 1 1 44 44 SER N N 15 115.9 . . 1 . . . . . . . . 4326 1 481 . 1 1 44 44 SER H H 1 7.78 . . 1 . . . . . . . . 4326 1 482 . 1 1 44 44 SER CA C 13 61.3 . . 1 . . . . . . . . 4326 1 483 . 1 1 44 44 SER HA H 1 4.20 . . 1 . . . . . . . . 4326 1 484 . 1 1 44 44 SER CB C 13 62.9 . . 1 . . . . . . . . 4326 1 485 . 1 1 44 44 SER HB2 H 1 4.01 . . 1 . . . . . . . . 4326 1 486 . 1 1 44 44 SER HB3 H 1 4.01 . . 1 . . . . . . . . 4326 1 487 . 1 1 44 44 SER C C 13 179.3 . . 1 . . . . . . . . 4326 1 488 . 1 1 45 45 VAL N N 15 124.4 . . 1 . . . . . . . . 4326 1 489 . 1 1 45 45 VAL H H 1 7.77 . . 1 . . . . . . . . 4326 1 490 . 1 1 45 45 VAL CA C 13 65.6 . . 1 . . . . . . . . 4326 1 491 . 1 1 45 45 VAL HA H 1 3.81 . . 1 . . . . . . . . 4326 1 492 . 1 1 45 45 VAL CB C 13 31.6 . . 1 . . . . . . . . 4326 1 493 . 1 1 45 45 VAL HB H 1 2.13 . . 1 . . . . . . . . 4326 1 494 . 1 1 45 45 VAL HG11 H 1 1.00 . . 2 . . . . . . . . 4326 1 495 . 1 1 45 45 VAL HG12 H 1 1.00 . . 2 . . . . . . . . 4326 1 496 . 1 1 45 45 VAL HG13 H 1 1.00 . . 2 . . . . . . . . 4326 1 497 . 1 1 45 45 VAL HG21 H 1 1.12 . . 2 . . . . . . . . 4326 1 498 . 1 1 45 45 VAL HG22 H 1 1.12 . . 2 . . . . . . . . 4326 1 499 . 1 1 45 45 VAL HG23 H 1 1.12 . . 2 . . . . . . . . 4326 1 500 . 1 1 45 45 VAL CG1 C 13 20.6 . . 1 . . . . . . . . 4326 1 501 . 1 1 45 45 VAL CG2 C 13 21.7 . . 1 . . . . . . . . 4326 1 502 . 1 1 45 45 VAL C C 13 179.1 . . 1 . . . . . . . . 4326 1 503 . 1 1 46 46 ILE N N 15 124.8 . . 1 . . . . . . . . 4326 1 504 . 1 1 46 46 ILE H H 1 8.19 . . 1 . . . . . . . . 4326 1 505 . 1 1 46 46 ILE CA C 13 65.0 . . 1 . . . . . . . . 4326 1 506 . 1 1 46 46 ILE HA H 1 3.52 . . 1 . . . . . . . . 4326 1 507 . 1 1 46 46 ILE CB C 13 37.3 . . 1 . . . . . . . . 4326 1 508 . 1 1 46 46 ILE HB H 1 1.78 . . 1 . . . . . . . . 4326 1 509 . 1 1 46 46 ILE HG21 H 1 0.84 . . 1 . . . . . . . . 4326 1 510 . 1 1 46 46 ILE HG22 H 1 0.84 . . 1 . . . . . . . . 4326 1 511 . 1 1 46 46 ILE HG23 H 1 0.84 . . 1 . . . . . . . . 4326 1 512 . 1 1 46 46 ILE CG2 C 13 17.0 . . 1 . . . . . . . . 4326 1 513 . 1 1 46 46 ILE CG1 C 13 30.6 . . 1 . . . . . . . . 4326 1 514 . 1 1 46 46 ILE HG12 H 1 1.62 . . 1 . . . . . . . . 4326 1 515 . 1 1 46 46 ILE HG13 H 1 1.62 . . 1 . . . . . . . . 4326 1 516 . 1 1 46 46 ILE HD11 H 1 0.66 . . 1 . . . . . . . . 4326 1 517 . 1 1 46 46 ILE HD12 H 1 0.66 . . 1 . . . . . . . . 4326 1 518 . 1 1 46 46 ILE HD13 H 1 0.66 . . 1 . . . . . . . . 4326 1 519 . 1 1 46 46 ILE CD1 C 13 13.9 . . 1 . . . . . . . . 4326 1 520 . 1 1 46 46 ILE C C 13 178.4 . . 1 . . . . . . . . 4326 1 521 . 1 1 47 47 ALA N N 15 124.8 . . 1 . . . . . . . . 4326 1 522 . 1 1 47 47 ALA H H 1 8.34 . . 1 . . . . . . . . 4326 1 523 . 1 1 47 47 ALA CA C 13 54.6 . . 1 . . . . . . . . 4326 1 524 . 1 1 47 47 ALA HA H 1 4.16 . . 1 . . . . . . . . 4326 1 525 . 1 1 47 47 ALA HB1 H 1 1.56 . . 1 . . . . . . . . 4326 1 526 . 1 1 47 47 ALA HB2 H 1 1.56 . . 1 . . . . . . . . 4326 1 527 . 1 1 47 47 ALA HB3 H 1 1.56 . . 1 . . . . . . . . 4326 1 528 . 1 1 47 47 ALA CB C 13 18.0 . . 1 . . . . . . . . 4326 1 529 . 1 1 47 47 ALA C C 13 179.0 . . 1 . . . . . . . . 4326 1 530 . 1 1 48 48 LYS N N 15 116.3 . . 1 . . . . . . . . 4326 1 531 . 1 1 48 48 LYS H H 1 7.00 . . 1 . . . . . . . . 4326 1 532 . 1 1 48 48 LYS CA C 13 55.6 . . 1 . . . . . . . . 4326 1 533 . 1 1 48 48 LYS HA H 1 4.35 . . 1 . . . . . . . . 4326 1 534 . 1 1 48 48 LYS CB C 13 32.6 . . 1 . . . . . . . . 4326 1 535 . 1 1 48 48 LYS HB2 H 1 2.03 . . 2 . . . . . . . . 4326 1 536 . 1 1 48 48 LYS HB3 H 1 1.83 . . 2 . . . . . . . . 4326 1 537 . 1 1 48 48 LYS CG C 13 23.8 . . 1 . . . . . . . . 4326 1 538 . 1 1 48 48 LYS HG2 H 1 1.56 . . 1 . . . . . . . . 4326 1 539 . 1 1 48 48 LYS HG3 H 1 1.56 . . 1 . . . . . . . . 4326 1 540 . 1 1 48 48 LYS CD C 13 28.5 . . 1 . . . . . . . . 4326 1 541 . 1 1 48 48 LYS HD2 H 1 1.62 . . 1 . . . . . . . . 4326 1 542 . 1 1 48 48 LYS HD3 H 1 1.62 . . 1 . . . . . . . . 4326 1 543 . 1 1 48 48 LYS CE C 13 41.5 . . 1 . . . . . . . . 4326 1 544 . 1 1 48 48 LYS HE2 H 1 3.02 . . 1 . . . . . . . . 4326 1 545 . 1 1 48 48 LYS HE3 H 1 3.02 . . 1 . . . . . . . . 4326 1 546 . 1 1 48 48 LYS C C 13 175.8 . . 1 . . . . . . . . 4326 1 547 . 1 1 49 49 TYR N N 15 129.1 . . 1 . . . . . . . . 4326 1 548 . 1 1 49 49 TYR H H 1 7.63 . . 1 . . . . . . . . 4326 1 549 . 1 1 49 49 TYR CA C 13 55.1 . . 1 . . . . . . . . 4326 1 550 . 1 1 49 49 TYR HA H 1 4.97 . . 1 . . . . . . . . 4326 1 551 . 1 1 49 49 TYR HB2 H 1 3.17 . . 2 . . . . . . . . 4326 1 552 . 1 1 49 49 TYR HB3 H 1 3.25 . . 2 . . . . . . . . 4326 1 553 . 1 1 49 49 TYR HD1 H 1 7.42 . . 1 . . . . . . . . 4326 1 554 . 1 1 49 49 TYR HD2 H 1 7.42 . . 1 . . . . . . . . 4326 1 555 . 1 1 49 49 TYR HE1 H 1 6.83 . . 1 . . . . . . . . 4326 1 556 . 1 1 49 49 TYR HE2 H 1 6.83 . . 1 . . . . . . . . 4326 1 557 . 1 1 50 50 PRO CD C 13 50.9 . . 1 . . . . . . . . 4326 1 558 . 1 1 50 50 PRO CA C 13 62.9 . . 1 . . . . . . . . 4326 1 559 . 1 1 50 50 PRO HA H 1 4.32 . . 1 . . . . . . . . 4326 1 560 . 1 1 50 50 PRO HB2 H 1 1.59 . . 2 . . . . . . . . 4326 1 561 . 1 1 50 50 PRO HB3 H 1 1.79 . . 2 . . . . . . . . 4326 1 562 . 1 1 50 50 PRO CG C 13 26.4 . . 1 . . . . . . . . 4326 1 563 . 1 1 50 50 PRO HG2 H 1 0.94 . . 2 . . . . . . . . 4326 1 564 . 1 1 50 50 PRO HG3 H 1 1.76 . . 2 . . . . . . . . 4326 1 565 . 1 1 50 50 PRO HD2 H 1 3.03 . . 2 . . . . . . . . 4326 1 566 . 1 1 50 50 PRO HD3 H 1 3.89 . . 2 . . . . . . . . 4326 1 567 . 1 1 50 50 PRO C C 13 173.9 . . 1 . . . . . . . . 4326 1 568 . 1 1 51 51 HIS N N 15 118.9 . . 1 . . . . . . . . 4326 1 569 . 1 1 51 51 HIS H H 1 6.20 . . 1 . . . . . . . . 4326 1 570 . 1 1 51 51 HIS CA C 13 53.5 . . 1 . . . . . . . . 4326 1 571 . 1 1 51 51 HIS HA H 1 4.74 . . 1 . . . . . . . . 4326 1 572 . 1 1 51 51 HIS CB C 13 32.6 . . 1 . . . . . . . . 4326 1 573 . 1 1 51 51 HIS HB2 H 1 2.56 . . 2 . . . . . . . . 4326 1 574 . 1 1 51 51 HIS HB3 H 1 3.02 . . 2 . . . . . . . . 4326 1 575 . 1 1 51 51 HIS HE1 H 1 7.96 . . 1 . . . . . . . . 4326 1 576 . 1 1 51 51 HIS C C 13 173.5 . . 1 . . . . . . . . 4326 1 577 . 1 1 52 52 LYS N N 15 126.1 . . 1 . . . . . . . . 4326 1 578 . 1 1 52 52 LYS H H 1 8.96 . . 1 . . . . . . . . 4326 1 579 . 1 1 52 52 LYS CA C 13 56.7 . . 1 . . . . . . . . 4326 1 580 . 1 1 52 52 LYS HA H 1 4.21 . . 1 . . . . . . . . 4326 1 581 . 1 1 52 52 LYS CB C 13 32.6 . . 1 . . . . . . . . 4326 1 582 . 1 1 52 52 LYS HB2 H 1 1.89 . . 1 . . . . . . . . 4326 1 583 . 1 1 52 52 LYS HB3 H 1 1.89 . . 1 . . . . . . . . 4326 1 584 . 1 1 52 52 LYS CG C 13 24.8 . . 1 . . . . . . . . 4326 1 585 . 1 1 52 52 LYS HG2 H 1 1.46 . . 1 . . . . . . . . 4326 1 586 . 1 1 52 52 LYS HG3 H 1 1.46 . . 1 . . . . . . . . 4326 1 587 . 1 1 52 52 LYS CD C 13 28.0 . . 1 . . . . . . . . 4326 1 588 . 1 1 52 52 LYS HD2 H 1 1.73 . . 1 . . . . . . . . 4326 1 589 . 1 1 52 52 LYS HD3 H 1 1.73 . . 1 . . . . . . . . 4326 1 590 . 1 1 52 52 LYS HE2 H 1 3.02 . . 1 . . . . . . . . 4326 1 591 . 1 1 52 52 LYS HE3 H 1 3.02 . . 1 . . . . . . . . 4326 1 592 . 1 1 52 52 LYS C C 13 176.1 . . 1 . . . . . . . . 4326 1 593 . 1 1 53 53 ILE N N 15 133.7 . . 1 . . . . . . . . 4326 1 594 . 1 1 53 53 ILE H H 1 9.35 . . 1 . . . . . . . . 4326 1 595 . 1 1 53 53 ILE CA C 13 61.3 . . 1 . . . . . . . . 4326 1 596 . 1 1 53 53 ILE HA H 1 4.17 . . 1 . . . . . . . . 4326 1 597 . 1 1 53 53 ILE CB C 13 38.4 . . 1 . . . . . . . . 4326 1 598 . 1 1 53 53 ILE HB H 1 1.74 . . 1 . . . . . . . . 4326 1 599 . 1 1 53 53 ILE HG21 H 1 0.89 . . 1 . . . . . . . . 4326 1 600 . 1 1 53 53 ILE HG22 H 1 0.89 . . 1 . . . . . . . . 4326 1 601 . 1 1 53 53 ILE HG23 H 1 0.89 . . 1 . . . . . . . . 4326 1 602 . 1 1 53 53 ILE CG2 C 13 18.0 . . 1 . . . . . . . . 4326 1 603 . 1 1 53 53 ILE CG1 C 13 28.0 . . 1 . . . . . . . . 4326 1 604 . 1 1 53 53 ILE HG12 H 1 1.18 . . 2 . . . . . . . . 4326 1 605 . 1 1 53 53 ILE HG13 H 1 1.85 . . 2 . . . . . . . . 4326 1 606 . 1 1 53 53 ILE HD11 H 1 0.76 . . 1 . . . . . . . . 4326 1 607 . 1 1 53 53 ILE HD12 H 1 0.76 . . 1 . . . . . . . . 4326 1 608 . 1 1 53 53 ILE HD13 H 1 0.76 . . 1 . . . . . . . . 4326 1 609 . 1 1 53 53 ILE CD1 C 13 12.8 . . 1 . . . . . . . . 4326 1 610 . 1 1 53 53 ILE C C 13 176.1 . . 1 . . . . . . . . 4326 1 611 . 1 1 54 54 LYS N N 15 128.6 . . 1 . . . . . . . . 4326 1 612 . 1 1 54 54 LYS H H 1 9.13 . . 1 . . . . . . . . 4326 1 613 . 1 1 54 54 LYS CA C 13 56.1 . . 1 . . . . . . . . 4326 1 614 . 1 1 54 54 LYS HA H 1 4.47 . . 1 . . . . . . . . 4326 1 615 . 1 1 54 54 LYS HB2 H 1 1.96 . . 2 . . . . . . . . 4326 1 616 . 1 1 54 54 LYS HB3 H 1 1.88 . . 2 . . . . . . . . 4326 1 617 . 1 1 54 54 LYS HG2 H 1 1.43 . . 1 . . . . . . . . 4326 1 618 . 1 1 54 54 LYS HG3 H 1 1.43 . . 1 . . . . . . . . 4326 1 619 . 1 1 54 54 LYS HD2 H 1 1.74 . . 1 . . . . . . . . 4326 1 620 . 1 1 54 54 LYS HD3 H 1 1.74 . . 1 . . . . . . . . 4326 1 621 . 1 1 54 54 LYS C C 13 175.5 . . 1 . . . . . . . . 4326 1 622 . 1 1 55 55 SER N N 15 113.8 . . 1 . . . . . . . . 4326 1 623 . 1 1 55 55 SER H H 1 7.49 . . 1 . . . . . . . . 4326 1 624 . 1 1 55 55 SER CA C 13 57.7 . . 1 . . . . . . . . 4326 1 625 . 1 1 55 55 SER HA H 1 4.53 . . 1 . . . . . . . . 4326 1 626 . 1 1 55 55 SER CB C 13 63.4 . . 1 . . . . . . . . 4326 1 627 . 1 1 55 55 SER HB2 H 1 3.99 . . 2 . . . . . . . . 4326 1 628 . 1 1 55 55 SER HB3 H 1 4.23 . . 2 . . . . . . . . 4326 1 629 . 1 1 55 55 SER C C 13 173.4 . . 1 . . . . . . . . 4326 1 630 . 1 1 56 56 GLY N N 15 115.1 . . 1 . . . . . . . . 4326 1 631 . 1 1 56 56 GLY H H 1 10.02 . . 1 . . . . . . . . 4326 1 632 . 1 1 56 56 GLY CA C 13 46.6 . . 1 . . . . . . . . 4326 1 633 . 1 1 56 56 GLY HA2 H 1 3.55 . . 2 . . . . . . . . 4326 1 634 . 1 1 56 56 GLY HA3 H 1 4.00 . . 2 . . . . . . . . 4326 1 635 . 1 1 56 56 GLY C C 13 174.9 . . 1 . . . . . . . . 4326 1 636 . 1 1 57 57 ALA N N 15 126.5 . . 1 . . . . . . . . 4326 1 637 . 1 1 57 57 ALA H H 1 8.47 . . 1 . . . . . . . . 4326 1 638 . 1 1 57 57 ALA CA C 13 54.6 . . 1 . . . . . . . . 4326 1 639 . 1 1 57 57 ALA HA H 1 3.95 . . 1 . . . . . . . . 4326 1 640 . 1 1 57 57 ALA HB1 H 1 1.41 . . 1 . . . . . . . . 4326 1 641 . 1 1 57 57 ALA HB2 H 1 1.41 . . 1 . . . . . . . . 4326 1 642 . 1 1 57 57 ALA HB3 H 1 1.41 . . 1 . . . . . . . . 4326 1 643 . 1 1 57 57 ALA CB C 13 17.5 . . 1 . . . . . . . . 4326 1 644 . 1 1 57 57 ALA C C 13 180.2 . . 1 . . . . . . . . 4326 1 645 . 1 1 58 58 GLU N N 15 119.7 . . 1 . . . . . . . . 4326 1 646 . 1 1 58 58 GLU H H 1 7.57 . . 1 . . . . . . . . 4326 1 647 . 1 1 58 58 GLU CA C 13 58.2 . . 1 . . . . . . . . 4326 1 648 . 1 1 58 58 GLU HA H 1 3.96 . . 1 . . . . . . . . 4326 1 649 . 1 1 58 58 GLU CB C 13 29.5 . . 1 . . . . . . . . 4326 1 650 . 1 1 58 58 GLU HB2 H 1 2.12 . . 2 . . . . . . . . 4326 1 651 . 1 1 58 58 GLU HB3 H 1 2.18 . . 2 . . . . . . . . 4326 1 652 . 1 1 58 58 GLU CG C 13 36.8 . . 1 . . . . . . . . 4326 1 653 . 1 1 58 58 GLU HG2 H 1 2.34 . . 1 . . . . . . . . 4326 1 654 . 1 1 58 58 GLU HG3 H 1 2.34 . . 1 . . . . . . . . 4326 1 655 . 1 1 58 58 GLU C C 13 179.0 . . 1 . . . . . . . . 4326 1 656 . 1 1 59 59 ALA N N 15 123.1 . . 1 . . . . . . . . 4326 1 657 . 1 1 59 59 ALA H H 1 7.37 . . 1 . . . . . . . . 4326 1 658 . 1 1 59 59 ALA CA C 13 53.5 . . 1 . . . . . . . . 4326 1 659 . 1 1 59 59 ALA HA H 1 3.92 . . 1 . . . . . . . . 4326 1 660 . 1 1 59 59 ALA HB1 H 1 1.41 . . 1 . . . . . . . . 4326 1 661 . 1 1 59 59 ALA HB2 H 1 1.41 . . 1 . . . . . . . . 4326 1 662 . 1 1 59 59 ALA HB3 H 1 1.41 . . 1 . . . . . . . . 4326 1 663 . 1 1 59 59 ALA CB C 13 18.6 . . 1 . . . . . . . . 4326 1 664 . 1 1 59 59 ALA C C 13 177.1 . . 1 . . . . . . . . 4326 1 665 . 1 1 60 60 LYS N N 15 117.2 . . 1 . . . . . . . . 4326 1 666 . 1 1 60 60 LYS H H 1 7.87 . . 1 . . . . . . . . 4326 1 667 . 1 1 60 60 LYS CA C 13 57.7 . . 1 . . . . . . . . 4326 1 668 . 1 1 60 60 LYS HA H 1 3.95 . . 1 . . . . . . . . 4326 1 669 . 1 1 60 60 LYS CB C 13 31.6 . . 1 . . . . . . . . 4326 1 670 . 1 1 60 60 LYS HB2 H 1 1.77 . . 1 . . . . . . . . 4326 1 671 . 1 1 60 60 LYS HB3 H 1 1.77 . . 1 . . . . . . . . 4326 1 672 . 1 1 60 60 LYS CG C 13 24.3 . . 1 . . . . . . . . 4326 1 673 . 1 1 60 60 LYS HG2 H 1 1.42 . . 1 . . . . . . . . 4326 1 674 . 1 1 60 60 LYS HG3 H 1 1.42 . . 1 . . . . . . . . 4326 1 675 . 1 1 60 60 LYS HE2 H 1 2.93 . . 1 . . . . . . . . 4326 1 676 . 1 1 60 60 LYS HE3 H 1 2.93 . . 1 . . . . . . . . 4326 1 677 . 1 1 60 60 LYS C C 13 176.2 . . 1 . . . . . . . . 4326 1 678 . 1 1 61 61 LYS N N 15 118.5 . . 1 . . . . . . . . 4326 1 679 . 1 1 61 61 LYS H H 1 7.03 . . 1 . . . . . . . . 4326 1 680 . 1 1 61 61 LYS CA C 13 56.1 . . 1 . . . . . . . . 4326 1 681 . 1 1 61 61 LYS HA H 1 4.16 . . 1 . . . . . . . . 4326 1 682 . 1 1 61 61 LYS CB C 13 31.1 . . 1 . . . . . . . . 4326 1 683 . 1 1 61 61 LYS HB2 H 1 1.93 . . 1 . . . . . . . . 4326 1 684 . 1 1 61 61 LYS HB3 H 1 1.93 . . 1 . . . . . . . . 4326 1 685 . 1 1 61 61 LYS CG C 13 24.3 . . 1 . . . . . . . . 4326 1 686 . 1 1 61 61 LYS HG2 H 1 1.49 . . 1 . . . . . . . . 4326 1 687 . 1 1 61 61 LYS HG3 H 1 1.49 . . 1 . . . . . . . . 4326 1 688 . 1 1 61 61 LYS CD C 13 28.5 . . 1 . . . . . . . . 4326 1 689 . 1 1 61 61 LYS HD2 H 1 1.75 . . 1 . . . . . . . . 4326 1 690 . 1 1 61 61 LYS HD3 H 1 1.75 . . 1 . . . . . . . . 4326 1 691 . 1 1 61 61 LYS HE2 H 1 2.94 . . 1 . . . . . . . . 4326 1 692 . 1 1 61 61 LYS HE3 H 1 2.94 . . 1 . . . . . . . . 4326 1 693 . 1 1 61 61 LYS C C 13 177.2 . . 1 . . . . . . . . 4326 1 694 . 1 1 62 62 LEU N N 15 125.7 . . 1 . . . . . . . . 4326 1 695 . 1 1 62 62 LEU H H 1 7.71 . . 1 . . . . . . . . 4326 1 696 . 1 1 62 62 LEU CA C 13 52.5 . . 1 . . . . . . . . 4326 1 697 . 1 1 62 62 LEU HA H 1 4.47 . . 1 . . . . . . . . 4326 1 698 . 1 1 62 62 LEU CB C 13 40.0 . . 1 . . . . . . . . 4326 1 699 . 1 1 62 62 LEU HB2 H 1 1.85 . . 2 . . . . . . . . 4326 1 700 . 1 1 62 62 LEU HB3 H 1 1.12 . . 2 . . . . . . . . 4326 1 701 . 1 1 62 62 LEU CG C 13 26.9 . . 1 . . . . . . . . 4326 1 702 . 1 1 62 62 LEU HG H 1 1.46 . . 1 . . . . . . . . 4326 1 703 . 1 1 62 62 LEU HD11 H 1 0.38 . . 2 . . . . . . . . 4326 1 704 . 1 1 62 62 LEU HD12 H 1 0.38 . . 2 . . . . . . . . 4326 1 705 . 1 1 62 62 LEU HD13 H 1 0.38 . . 2 . . . . . . . . 4326 1 706 . 1 1 62 62 LEU HD21 H 1 0.46 . . 2 . . . . . . . . 4326 1 707 . 1 1 62 62 LEU HD22 H 1 0.46 . . 2 . . . . . . . . 4326 1 708 . 1 1 62 62 LEU HD23 H 1 0.46 . . 2 . . . . . . . . 4326 1 709 . 1 1 62 62 LEU CD1 C 13 24.3 . . 1 . . . . . . . . 4326 1 710 . 1 1 62 62 LEU CD2 C 13 22.2 . . 1 . . . . . . . . 4326 1 711 . 1 1 63 63 PRO CD C 13 50.4 . . 1 . . . . . . . . 4326 1 712 . 1 1 63 63 PRO CA C 13 63.4 . . 1 . . . . . . . . 4326 1 713 . 1 1 63 63 PRO HA H 1 4.27 . . 1 . . . . . . . . 4326 1 714 . 1 1 63 63 PRO CB C 13 31.1 . . 1 . . . . . . . . 4326 1 715 . 1 1 63 63 PRO HB2 H 1 1.89 . . 2 . . . . . . . . 4326 1 716 . 1 1 63 63 PRO HB3 H 1 2.24 . . 2 . . . . . . . . 4326 1 717 . 1 1 63 63 PRO CG C 13 27.4 . . 1 . . . . . . . . 4326 1 718 . 1 1 63 63 PRO HG2 H 1 2.04 . . 2 . . . . . . . . 4326 1 719 . 1 1 63 63 PRO HG3 H 1 2.19 . . 2 . . . . . . . . 4326 1 720 . 1 1 63 63 PRO HD2 H 1 3.97 . . 2 . . . . . . . . 4326 1 721 . 1 1 63 63 PRO HD3 H 1 3.61 . . 2 . . . . . . . . 4326 1 722 . 1 1 63 63 PRO C C 13 176.9 . . 1 . . . . . . . . 4326 1 723 . 1 1 64 64 GLY N N 15 112.5 . . 1 . . . . . . . . 4326 1 724 . 1 1 64 64 GLY H H 1 8.49 . . 1 . . . . . . . . 4326 1 725 . 1 1 64 64 GLY CA C 13 44.7 . . 1 . . . . . . . . 4326 1 726 . 1 1 64 64 GLY HA2 H 1 4.09 . . 2 . . . . . . . . 4326 1 727 . 1 1 64 64 GLY HA3 H 1 3.59 . . 2 . . . . . . . . 4326 1 728 . 1 1 64 64 GLY C C 13 173.4 . . 1 . . . . . . . . 4326 1 729 . 1 1 65 65 VAL N N 15 124.0 . . 1 . . . . . . . . 4326 1 730 . 1 1 65 65 VAL H H 1 7.53 . . 1 . . . . . . . . 4326 1 731 . 1 1 65 65 VAL CA C 13 62.9 . . 1 . . . . . . . . 4326 1 732 . 1 1 65 65 VAL HA H 1 3.94 . . 1 . . . . . . . . 4326 1 733 . 1 1 65 65 VAL CB C 13 30.5 . . 1 . . . . . . . . 4326 1 734 . 1 1 65 65 VAL HB H 1 2.35 . . 1 . . . . . . . . 4326 1 735 . 1 1 65 65 VAL HG11 H 1 0.69 . . 2 . . . . . . . . 4326 1 736 . 1 1 65 65 VAL HG12 H 1 0.69 . . 2 . . . . . . . . 4326 1 737 . 1 1 65 65 VAL HG13 H 1 0.69 . . 2 . . . . . . . . 4326 1 738 . 1 1 65 65 VAL HG21 H 1 0.71 . . 2 . . . . . . . . 4326 1 739 . 1 1 65 65 VAL HG22 H 1 0.71 . . 2 . . . . . . . . 4326 1 740 . 1 1 65 65 VAL HG23 H 1 0.71 . . 2 . . . . . . . . 4326 1 741 . 1 1 65 65 VAL CG1 C 13 20.1 . . 1 . . . . . . . . 4326 1 742 . 1 1 65 65 VAL C C 13 174.6 . . 1 . . . . . . . . 4326 1 743 . 1 1 66 66 GLY N N 15 112.5 . . 1 . . . . . . . . 4326 1 744 . 1 1 66 66 GLY H H 1 7.43 . . 1 . . . . . . . . 4326 1 745 . 1 1 66 66 GLY CA C 13 44.1 . . 1 . . . . . . . . 4326 1 746 . 1 1 66 66 GLY HA2 H 1 4.07 . . 2 . . . . . . . . 4326 1 747 . 1 1 66 66 GLY HA3 H 1 4.25 . . 2 . . . . . . . . 4326 1 748 . 1 1 67 67 THR CA C 13 67.1 . . 1 . . . . . . . . 4326 1 749 . 1 1 67 67 THR HA H 1 3.72 . . 1 . . . . . . . . 4326 1 750 . 1 1 67 67 THR CB C 13 68.7 . . 1 . . . . . . . . 4326 1 751 . 1 1 67 67 THR HB H 1 4.13 . . 1 . . . . . . . . 4326 1 752 . 1 1 67 67 THR HG21 H 1 1.25 . . 1 . . . . . . . . 4326 1 753 . 1 1 67 67 THR HG22 H 1 1.25 . . 1 . . . . . . . . 4326 1 754 . 1 1 67 67 THR HG23 H 1 1.25 . . 1 . . . . . . . . 4326 1 755 . 1 1 67 67 THR CG2 C 13 21.2 . . 1 . . . . . . . . 4326 1 756 . 1 1 67 67 THR C C 13 177.3 . . 1 . . . . . . . . 4326 1 757 . 1 1 68 68 LYS N N 15 121.0 . . 1 . . . . . . . . 4326 1 758 . 1 1 68 68 LYS H H 1 8.17 . . 1 . . . . . . . . 4326 1 759 . 1 1 68 68 LYS CA C 13 58.5 . . 1 . . . . . . . . 4326 1 760 . 1 1 68 68 LYS HA H 1 4.22 . . 1 . . . . . . . . 4326 1 761 . 1 1 68 68 LYS CB C 13 31.6 . . 1 . . . . . . . . 4326 1 762 . 1 1 68 68 LYS HB2 H 1 1.94 . . 1 . . . . . . . . 4326 1 763 . 1 1 68 68 LYS HB3 H 1 1.94 . . 1 . . . . . . . . 4326 1 764 . 1 1 68 68 LYS C C 13 180.7 . . 1 . . . . . . . . 4326 1 765 . 1 1 69 69 ILE N N 15 122.7 . . 1 . . . . . . . . 4326 1 766 . 1 1 69 69 ILE H H 1 7.75 . . 1 . . . . . . . . 4326 1 767 . 1 1 69 69 ILE CA C 13 65.0 . . 1 . . . . . . . . 4326 1 768 . 1 1 69 69 ILE HA H 1 3.64 . . 1 . . . . . . . . 4326 1 769 . 1 1 69 69 ILE CB C 13 36.3 . . 1 . . . . . . . . 4326 1 770 . 1 1 69 69 ILE HB H 1 1.87 . . 1 . . . . . . . . 4326 1 771 . 1 1 69 69 ILE HG21 H 1 0.82 . . 1 . . . . . . . . 4326 1 772 . 1 1 69 69 ILE HG22 H 1 0.82 . . 1 . . . . . . . . 4326 1 773 . 1 1 69 69 ILE HG23 H 1 0.82 . . 1 . . . . . . . . 4326 1 774 . 1 1 69 69 ILE CG2 C 13 18.0 . . 1 . . . . . . . . 4326 1 775 . 1 1 69 69 ILE CG1 C 13 29.5 . . 1 . . . . . . . . 4326 1 776 . 1 1 69 69 ILE HG12 H 1 0.97 . . 2 . . . . . . . . 4326 1 777 . 1 1 69 69 ILE HG13 H 1 1.67 . . 2 . . . . . . . . 4326 1 778 . 1 1 69 69 ILE HD11 H 1 0.71 . . 1 . . . . . . . . 4326 1 779 . 1 1 69 69 ILE HD12 H 1 0.71 . . 1 . . . . . . . . 4326 1 780 . 1 1 69 69 ILE HD13 H 1 0.71 . . 1 . . . . . . . . 4326 1 781 . 1 1 69 69 ILE CD1 C 13 13.3 . . 1 . . . . . . . . 4326 1 782 . 1 1 69 69 ILE C C 13 180.2 . . 1 . . . . . . . . 4326 1 783 . 1 1 70 70 ALA N N 15 125.7 . . 1 . . . . . . . . 4326 1 784 . 1 1 70 70 ALA H H 1 8.11 . . 1 . . . . . . . . 4326 1 785 . 1 1 70 70 ALA CA C 13 55.6 . . 1 . . . . . . . . 4326 1 786 . 1 1 70 70 ALA HA H 1 3.80 . . 1 . . . . . . . . 4326 1 787 . 1 1 70 70 ALA HB1 H 1 1.38 . . 1 . . . . . . . . 4326 1 788 . 1 1 70 70 ALA HB2 H 1 1.38 . . 1 . . . . . . . . 4326 1 789 . 1 1 70 70 ALA HB3 H 1 1.38 . . 1 . . . . . . . . 4326 1 790 . 1 1 70 70 ALA CB C 13 17.5 . . 1 . . . . . . . . 4326 1 791 . 1 1 70 70 ALA C C 13 178.6 . . 1 . . . . . . . . 4326 1 792 . 1 1 71 71 GLU N N 15 120.2 . . 1 . . . . . . . . 4326 1 793 . 1 1 71 71 GLU H H 1 7.89 . . 1 . . . . . . . . 4326 1 794 . 1 1 71 71 GLU CA C 13 59.3 . . 1 . . . . . . . . 4326 1 795 . 1 1 71 71 GLU HA H 1 4.16 . . 1 . . . . . . . . 4326 1 796 . 1 1 71 71 GLU CB C 13 29.0 . . 1 . . . . . . . . 4326 1 797 . 1 1 71 71 GLU HB2 H 1 2.13 . . 2 . . . . . . . . 4326 1 798 . 1 1 71 71 GLU HB3 H 1 2.26 . . 2 . . . . . . . . 4326 1 799 . 1 1 71 71 GLU CG C 13 36.3 . . 1 . . . . . . . . 4326 1 800 . 1 1 71 71 GLU HG2 H 1 2.56 . . 1 . . . . . . . . 4326 1 801 . 1 1 71 71 GLU HG3 H 1 2.56 . . 1 . . . . . . . . 4326 1 802 . 1 1 71 71 GLU C C 13 180.2 . . 1 . . . . . . . . 4326 1 803 . 1 1 72 72 LYS N N 15 122.3 . . 1 . . . . . . . . 4326 1 804 . 1 1 72 72 LYS H H 1 7.48 . . 1 . . . . . . . . 4326 1 805 . 1 1 72 72 LYS CA C 13 56.7 . . 1 . . . . . . . . 4326 1 806 . 1 1 72 72 LYS HA H 1 4.20 . . 1 . . . . . . . . 4326 1 807 . 1 1 72 72 LYS CB C 13 32.1 . . 1 . . . . . . . . 4326 1 808 . 1 1 72 72 LYS HB2 H 1 1.77 . . 1 . . . . . . . . 4326 1 809 . 1 1 72 72 LYS HB3 H 1 1.77 . . 1 . . . . . . . . 4326 1 810 . 1 1 72 72 LYS HG2 H 1 1.61 . . 1 . . . . . . . . 4326 1 811 . 1 1 72 72 LYS HG3 H 1 1.61 . . 1 . . . . . . . . 4326 1 812 . 1 1 72 72 LYS HE2 H 1 3.01 . . 1 . . . . . . . . 4326 1 813 . 1 1 72 72 LYS HE3 H 1 3.01 . . 1 . . . . . . . . 4326 1 814 . 1 1 72 72 LYS C C 13 180.0 . . 1 . . . . . . . . 4326 1 815 . 1 1 73 73 ILE N N 15 123.6 . . 1 . . . . . . . . 4326 1 816 . 1 1 73 73 ILE H H 1 8.17 . . 1 . . . . . . . . 4326 1 817 . 1 1 73 73 ILE CA C 13 66.6 . . 1 . . . . . . . . 4326 1 818 . 1 1 73 73 ILE HA H 1 3.50 . . 1 . . . . . . . . 4326 1 819 . 1 1 73 73 ILE CB C 13 37.3 . . 1 . . . . . . . . 4326 1 820 . 1 1 73 73 ILE HB H 1 2.09 . . 1 . . . . . . . . 4326 1 821 . 1 1 73 73 ILE HG21 H 1 0.80 . . 1 . . . . . . . . 4326 1 822 . 1 1 73 73 ILE HG22 H 1 0.80 . . 1 . . . . . . . . 4326 1 823 . 1 1 73 73 ILE HG23 H 1 0.80 . . 1 . . . . . . . . 4326 1 824 . 1 1 73 73 ILE CG2 C 13 16.0 . . 1 . . . . . . . . 4326 1 825 . 1 1 73 73 ILE CG1 C 13 29.5 . . 1 . . . . . . . . 4326 1 826 . 1 1 73 73 ILE HG12 H 1 1.91 . . 1 . . . . . . . . 4326 1 827 . 1 1 73 73 ILE HG13 H 1 1.91 . . 1 . . . . . . . . 4326 1 828 . 1 1 73 73 ILE HD11 H 1 0.69 . . 1 . . . . . . . . 4326 1 829 . 1 1 73 73 ILE HD12 H 1 0.69 . . 1 . . . . . . . . 4326 1 830 . 1 1 73 73 ILE HD13 H 1 0.69 . . 1 . . . . . . . . 4326 1 831 . 1 1 73 73 ILE CD1 C 13 13.9 . . 1 . . . . . . . . 4326 1 832 . 1 1 73 73 ILE C C 13 177.2 . . 1 . . . . . . . . 4326 1 833 . 1 1 74 74 ASP N N 15 123.1 . . 1 . . . . . . . . 4326 1 834 . 1 1 74 74 ASP H H 1 8.28 . . 1 . . . . . . . . 4326 1 835 . 1 1 74 74 ASP CA C 13 58.2 . . 1 . . . . . . . . 4326 1 836 . 1 1 74 74 ASP HA H 1 4.55 . . 1 . . . . . . . . 4326 1 837 . 1 1 74 74 ASP HB2 H 1 2.77 . . 1 . . . . . . . . 4326 1 838 . 1 1 74 74 ASP HB3 H 1 2.77 . . 1 . . . . . . . . 4326 1 839 . 1 1 74 74 ASP C C 13 179.5 . . 1 . . . . . . . . 4326 1 840 . 1 1 75 75 GLU N N 15 123.6 . . 1 . . . . . . . . 4326 1 841 . 1 1 75 75 GLU H H 1 7.98 . . 1 . . . . . . . . 4326 1 842 . 1 1 75 75 GLU CA C 13 58.7 . . 1 . . . . . . . . 4326 1 843 . 1 1 75 75 GLU HA H 1 4.12 . . 1 . . . . . . . . 4326 1 844 . 1 1 75 75 GLU HB2 H 1 2.19 . . 2 . . . . . . . . 4326 1 845 . 1 1 75 75 GLU HB3 H 1 2.24 . . 2 . . . . . . . . 4326 1 846 . 1 1 75 75 GLU CG C 13 35.8 . . 1 . . . . . . . . 4326 1 847 . 1 1 75 75 GLU HG2 H 1 2.45 . . 1 . . . . . . . . 4326 1 848 . 1 1 75 75 GLU HG3 H 1 2.45 . . 1 . . . . . . . . 4326 1 849 . 1 1 75 75 GLU C C 13 179.5 . . 1 . . . . . . . . 4326 1 850 . 1 1 76 76 PHE N N 15 124.8 . . 1 . . . . . . . . 4326 1 851 . 1 1 76 76 PHE H H 1 8.26 . . 1 . . . . . . . . 4326 1 852 . 1 1 76 76 PHE CA C 13 60.3 . . 1 . . . . . . . . 4326 1 853 . 1 1 76 76 PHE HA H 1 4.34 . . 1 . . . . . . . . 4326 1 854 . 1 1 76 76 PHE CB C 13 39.4 . . 1 . . . . . . . . 4326 1 855 . 1 1 76 76 PHE HB2 H 1 3.17 . . 2 . . . . . . . . 4326 1 856 . 1 1 76 76 PHE HB3 H 1 3.33 . . 2 . . . . . . . . 4326 1 857 . 1 1 76 76 PHE HD1 H 1 7.01 . . 1 . . . . . . . . 4326 1 858 . 1 1 76 76 PHE HD2 H 1 7.01 . . 1 . . . . . . . . 4326 1 859 . 1 1 76 76 PHE HE1 H 1 7.24 . . 1 . . . . . . . . 4326 1 860 . 1 1 76 76 PHE HE2 H 1 7.24 . . 1 . . . . . . . . 4326 1 861 . 1 1 76 76 PHE HZ H 1 7.18 . . 1 . . . . . . . . 4326 1 862 . 1 1 76 76 PHE C C 13 178.9 . . 1 . . . . . . . . 4326 1 863 . 1 1 77 77 LEU N N 15 123.1 . . 1 . . . . . . . . 4326 1 864 . 1 1 77 77 LEU H H 1 8.75 . . 1 . . . . . . . . 4326 1 865 . 1 1 77 77 LEU CA C 13 56.7 . . 1 . . . . . . . . 4326 1 866 . 1 1 77 77 LEU HA H 1 3.86 . . 1 . . . . . . . . 4326 1 867 . 1 1 77 77 LEU CB C 13 42.0 . . 1 . . . . . . . . 4326 1 868 . 1 1 77 77 LEU HB2 H 1 1.44 . . 2 . . . . . . . . 4326 1 869 . 1 1 77 77 LEU HB3 H 1 1.97 . . 2 . . . . . . . . 4326 1 870 . 1 1 77 77 LEU CG C 13 28.0 . . 1 . . . . . . . . 4326 1 871 . 1 1 77 77 LEU HG H 1 1.49 . . 1 . . . . . . . . 4326 1 872 . 1 1 77 77 LEU HD11 H 1 0.92 . . 2 . . . . . . . . 4326 1 873 . 1 1 77 77 LEU HD12 H 1 0.92 . . 2 . . . . . . . . 4326 1 874 . 1 1 77 77 LEU HD13 H 1 0.92 . . 2 . . . . . . . . 4326 1 875 . 1 1 77 77 LEU HD21 H 1 0.72 . . 2 . . . . . . . . 4326 1 876 . 1 1 77 77 LEU HD22 H 1 0.72 . . 2 . . . . . . . . 4326 1 877 . 1 1 77 77 LEU HD23 H 1 0.72 . . 2 . . . . . . . . 4326 1 878 . 1 1 77 77 LEU CD1 C 13 25.3 . . 1 . . . . . . . . 4326 1 879 . 1 1 77 77 LEU CD2 C 13 21.7 . . 1 . . . . . . . . 4326 1 880 . 1 1 77 77 LEU C C 13 179.0 . . 1 . . . . . . . . 4326 1 881 . 1 1 78 78 ALA N N 15 123.6 . . 1 . . . . . . . . 4326 1 882 . 1 1 78 78 ALA H H 1 7.91 . . 1 . . . . . . . . 4326 1 883 . 1 1 78 78 ALA CA C 13 54.0 . . 1 . . . . . . . . 4326 1 884 . 1 1 78 78 ALA HA H 1 4.25 . . 1 . . . . . . . . 4326 1 885 . 1 1 78 78 ALA HB1 H 1 1.54 . . 1 . . . . . . . . 4326 1 886 . 1 1 78 78 ALA HB2 H 1 1.54 . . 1 . . . . . . . . 4326 1 887 . 1 1 78 78 ALA HB3 H 1 1.54 . . 1 . . . . . . . . 4326 1 888 . 1 1 78 78 ALA CB C 13 18.6 . . 1 . . . . . . . . 4326 1 889 . 1 1 78 78 ALA C C 13 179.1 . . 1 . . . . . . . . 4326 1 890 . 1 1 79 79 THR N N 15 111.7 . . 1 . . . . . . . . 4326 1 891 . 1 1 79 79 THR H H 1 7.84 . . 1 . . . . . . . . 4326 1 892 . 1 1 79 79 THR CA C 13 62.9 . . 1 . . . . . . . . 4326 1 893 . 1 1 79 79 THR HA H 1 4.33 . . 1 . . . . . . . . 4326 1 894 . 1 1 79 79 THR CB C 13 67.9 . . 1 . . . . . . . . 4326 1 895 . 1 1 79 79 THR HB H 1 4.28 . . 1 . . . . . . . . 4326 1 896 . 1 1 79 79 THR HG21 H 1 1.28 . . 1 . . . . . . . . 4326 1 897 . 1 1 79 79 THR HG22 H 1 1.28 . . 1 . . . . . . . . 4326 1 898 . 1 1 79 79 THR HG23 H 1 1.28 . . 1 . . . . . . . . 4326 1 899 . 1 1 79 79 THR CG2 C 13 20.6 . . 1 . . . . . . . . 4326 1 900 . 1 1 79 79 THR C C 13 175.7 . . 1 . . . . . . . . 4326 1 901 . 1 1 80 80 GLY N N 15 114.2 . . 1 . . . . . . . . 4326 1 902 . 1 1 80 80 GLY H H 1 8.18 . . 1 . . . . . . . . 4326 1 903 . 1 1 80 80 GLY CA C 13 45.2 . . 1 . . . . . . . . 4326 1 904 . 1 1 80 80 GLY HA2 H 1 3.57 . . 2 . . . . . . . . 4326 1 905 . 1 1 80 80 GLY HA3 H 1 3.89 . . 2 . . . . . . . . 4326 1 906 . 1 1 80 80 GLY C C 13 173.0 . . 1 . . . . . . . . 4326 1 907 . 1 1 81 81 LYS N N 15 122.3 . . 1 . . . . . . . . 4326 1 908 . 1 1 81 81 LYS H H 1 7.86 . . 1 . . . . . . . . 4326 1 909 . 1 1 81 81 LYS CA C 13 55.6 . . 1 . . . . . . . . 4326 1 910 . 1 1 81 81 LYS HA H 1 4.36 . . 1 . . . . . . . . 4326 1 911 . 1 1 81 81 LYS CB C 13 33.7 . . 1 . . . . . . . . 4326 1 912 . 1 1 81 81 LYS HB2 H 1 1.68 . . 2 . . . . . . . . 4326 1 913 . 1 1 81 81 LYS HB3 H 1 1.80 . . 2 . . . . . . . . 4326 1 914 . 1 1 81 81 LYS CG C 13 23.8 . . 1 . . . . . . . . 4326 1 915 . 1 1 81 81 LYS HG2 H 1 1.33 . . 1 . . . . . . . . 4326 1 916 . 1 1 81 81 LYS HG3 H 1 1.33 . . 1 . . . . . . . . 4326 1 917 . 1 1 81 81 LYS CD C 13 29.0 . . 1 . . . . . . . . 4326 1 918 . 1 1 81 81 LYS HD2 H 1 1.63 . . 1 . . . . . . . . 4326 1 919 . 1 1 81 81 LYS HD3 H 1 1.63 . . 1 . . . . . . . . 4326 1 920 . 1 1 81 81 LYS HE2 H 1 3.01 . . 1 . . . . . . . . 4326 1 921 . 1 1 81 81 LYS HE3 H 1 3.01 . . 1 . . . . . . . . 4326 1 922 . 1 1 81 81 LYS C C 13 175.2 . . 1 . . . . . . . . 4326 1 923 . 1 1 82 82 LEU N N 15 123.6 . . 1 . . . . . . . . 4326 1 924 . 1 1 82 82 LEU H H 1 8.05 . . 1 . . . . . . . . 4326 1 925 . 1 1 82 82 LEU CA C 13 54.0 . . 1 . . . . . . . . 4326 1 926 . 1 1 82 82 LEU HA H 1 4.42 . . 1 . . . . . . . . 4326 1 927 . 1 1 82 82 LEU CB C 13 42.6 . . 1 . . . . . . . . 4326 1 928 . 1 1 82 82 LEU HB2 H 1 1.61 . . 1 . . . . . . . . 4326 1 929 . 1 1 82 82 LEU HB3 H 1 1.61 . . 1 . . . . . . . . 4326 1 930 . 1 1 82 82 LEU CG C 13 27.4 . . 1 . . . . . . . . 4326 1 931 . 1 1 82 82 LEU HG H 1 1.58 . . 1 . . . . . . . . 4326 1 932 . 1 1 82 82 LEU HD11 H 1 0.91 . . 2 . . . . . . . . 4326 1 933 . 1 1 82 82 LEU HD12 H 1 0.91 . . 2 . . . . . . . . 4326 1 934 . 1 1 82 82 LEU HD13 H 1 0.91 . . 2 . . . . . . . . 4326 1 935 . 1 1 82 82 LEU HD21 H 1 0.86 . . 2 . . . . . . . . 4326 1 936 . 1 1 82 82 LEU HD22 H 1 0.86 . . 2 . . . . . . . . 4326 1 937 . 1 1 82 82 LEU HD23 H 1 0.86 . . 2 . . . . . . . . 4326 1 938 . 1 1 82 82 LEU CD1 C 13 24.8 . . 1 . . . . . . . . 4326 1 939 . 1 1 82 82 LEU CD2 C 13 22.7 . . 1 . . . . . . . . 4326 1 940 . 1 1 82 82 LEU C C 13 177.7 . . 1 . . . . . . . . 4326 1 941 . 1 1 83 83 ARG N N 15 125.7 . . 1 . . . . . . . . 4326 1 942 . 1 1 83 83 ARG H H 1 8.33 . . 1 . . . . . . . . 4326 1 943 . 1 1 83 83 ARG CA C 13 56.1 . . 1 . . . . . . . . 4326 1 944 . 1 1 83 83 ARG HA H 1 4.25 . . 1 . . . . . . . . 4326 1 945 . 1 1 83 83 ARG CB C 13 30.6 . . 1 . . . . . . . . 4326 1 946 . 1 1 83 83 ARG HB2 H 1 1.77 . . 1 . . . . . . . . 4326 1 947 . 1 1 83 83 ARG HB3 H 1 1.77 . . 1 . . . . . . . . 4326 1 948 . 1 1 83 83 ARG CG C 13 26.9 . . 1 . . . . . . . . 4326 1 949 . 1 1 83 83 ARG HG2 H 1 1.60 . . 1 . . . . . . . . 4326 1 950 . 1 1 83 83 ARG HG3 H 1 1.60 . . 1 . . . . . . . . 4326 1 951 . 1 1 83 83 ARG CD C 13 43.1 . . 1 . . . . . . . . 4326 1 952 . 1 1 83 83 ARG HD2 H 1 3.20 . . 1 . . . . . . . . 4326 1 953 . 1 1 83 83 ARG HD3 H 1 3.20 . . 1 . . . . . . . . 4326 1 954 . 1 1 83 83 ARG C C 13 176.6 . . 1 . . . . . . . . 4326 1 955 . 1 1 84 84 LYS N N 15 125.7 . . 1 . . . . . . . . 4326 1 956 . 1 1 84 84 LYS H H 1 8.28 . . 1 . . . . . . . . 4326 1 957 . 1 1 84 84 LYS CA C 13 55.8 . . 1 . . . . . . . . 4326 1 958 . 1 1 84 84 LYS HA H 1 4.24 . . 1 . . . . . . . . 4326 1 959 . 1 1 84 84 LYS CB C 13 32.6 . . 1 . . . . . . . . 4326 1 960 . 1 1 84 84 LYS HB2 H 1 1.69 . . 1 . . . . . . . . 4326 1 961 . 1 1 84 84 LYS HB3 H 1 1.69 . . 1 . . . . . . . . 4326 1 962 . 1 1 84 84 LYS HG2 H 1 1.36 . . 1 . . . . . . . . 4326 1 963 . 1 1 84 84 LYS HG3 H 1 1.36 . . 1 . . . . . . . . 4326 1 964 . 1 1 84 84 LYS C C 13 176.5 . . 1 . . . . . . . . 4326 1 965 . 1 1 85 85 LEU N N 15 126.5 . . 1 . . . . . . . . 4326 1 966 . 1 1 85 85 LEU H H 1 8.14 . . 1 . . . . . . . . 4326 1 967 . 1 1 85 85 LEU CA C 13 55.1 . . 1 . . . . . . . . 4326 1 968 . 1 1 85 85 LEU HA H 1 3.98 . . 1 . . . . . . . . 4326 1 969 . 1 1 85 85 LEU HB2 H 1 1.88 . . 1 . . . . . . . . 4326 1 970 . 1 1 85 85 LEU HB3 H 1 1.88 . . 1 . . . . . . . . 4326 1 971 . 1 1 85 85 LEU CG C 13 26.9 . . 1 . . . . . . . . 4326 1 972 . 1 1 85 85 LEU HG H 1 1.58 . . 1 . . . . . . . . 4326 1 973 . 1 1 85 85 LEU HD11 H 1 0.81 . . 2 . . . . . . . . 4326 1 974 . 1 1 85 85 LEU HD12 H 1 0.81 . . 2 . . . . . . . . 4326 1 975 . 1 1 85 85 LEU HD13 H 1 0.81 . . 2 . . . . . . . . 4326 1 976 . 1 1 85 85 LEU HD21 H 1 0.89 . . 2 . . . . . . . . 4326 1 977 . 1 1 85 85 LEU HD22 H 1 0.89 . . 2 . . . . . . . . 4326 1 978 . 1 1 85 85 LEU HD23 H 1 0.89 . . 2 . . . . . . . . 4326 1 979 . 1 1 85 85 LEU CD1 C 13 22.2 . . 1 . . . . . . . . 4326 1 980 . 1 1 85 85 LEU CD2 C 13 24.8 . . 1 . . . . . . . . 4326 1 981 . 1 1 85 85 LEU C C 13 176.7 . . 1 . . . . . . . . 4326 1 982 . 1 1 86 86 GLU N N 15 124.4 . . 1 . . . . . . . . 4326 1 983 . 1 1 86 86 GLU H H 1 8.25 . . 1 . . . . . . . . 4326 1 984 . 1 1 86 86 GLU CA C 13 56.1 . . 1 . . . . . . . . 4326 1 985 . 1 1 86 86 GLU HA H 1 4.31 . . 1 . . . . . . . . 4326 1 986 . 1 1 86 86 GLU CB C 13 29.5 . . 1 . . . . . . . . 4326 1 987 . 1 1 86 86 GLU HB2 H 1 2.09 . . 2 . . . . . . . . 4326 1 988 . 1 1 86 86 GLU HB3 H 1 1.88 . . 2 . . . . . . . . 4326 1 989 . 1 1 86 86 GLU CG C 13 35.3 . . 1 . . . . . . . . 4326 1 990 . 1 1 86 86 GLU HG2 H 1 2.22 . . 1 . . . . . . . . 4326 1 991 . 1 1 86 86 GLU HG3 H 1 2.22 . . 1 . . . . . . . . 4326 1 992 . 1 1 87 87 LYS N N 15 127.8 . . 1 . . . . . . . . 4326 1 993 . 1 1 87 87 LYS H H 1 8.01 . . 1 . . . . . . . . 4326 1 stop_ save_