data_4326 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Complete 1H, 13C, and 15N Chemical Shift Assignments for the N-terminal Domain of DNA Polymerase B (residues 2-87). ; _BMRB_accession_number 4326 _BMRB_flat_file_name bmr4326.str _Entry_type original _Submission_date 1999-03-25 _Accession_date 1999-03-25 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Dingjiang . . 2 DeRose Eugene F. . 3 Prasad Rajendra . . 4 Wilson Samuel H. . 5 Mullen Gregory P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 498 "13C chemical shifts" 312 "15N chemical shifts" 83 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1999-05-19 original author . stop_ _Original_release_date 1999-05-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; 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 _CAS_abstract_code . _MEDLINE_UI_code 94347721 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Dingjiang . . 2 DeRose Eugene F. . 3 Prasad Rajendra . . 4 Wilson Samuel H. . 5 Mullen Gregory P. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 33 _Journal_issue 32 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9537 _Page_last 9545 _Year 1994 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_Reference_1 _Saveframe_category citation _Citation_full . _Citation_title . _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code 94347721 _PubMed_ID ? _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_B-Pol _Saveframe_category molecular_system _Mol_system_name 'N-Terminal Domain of DNA Polymerase B' _Abbreviation_common B-Pol _Enzyme_commission_number 2.7.7.7 loop_ _Mol_system_component_name _Mol_label 'B-Pol N-terminal Domain' $B-Pol-N-terminal-Domain stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'deoxyribose 5'-phosphate excision at incised abasic sites (N-terminal domain)' 'DNA binding (N-terminal domain)' 'DNA polmerization (C-terminal domain)' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_B-Pol-N-terminal-Domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'DNA Polymerase B' _Abbreviation_common B-Pol _Molecular_mass 9490 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 87 _Mol_residue_sequence ; MSKRKAPQETLNGGITDMLV ELANFEKNVSQAIHKYNAYR KAASVIAKYPHKIKSGAEAK KLPGVGTKIAEKIDEFLATG KLRKLEK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 MET 2 1 SER 3 2 LYS 4 3 ARG 5 4 LYS 6 5 ALA 7 6 PRO 8 7 GLN 9 8 GLU 10 9 THR 11 10 LEU 12 11 ASN 13 12 GLY 14 13 GLY 15 14 ILE 16 15 THR 17 16 ASP 18 17 MET 19 18 LEU 20 19 VAL 21 20 GLU 22 21 LEU 23 22 ALA 24 23 ASN 25 24 PHE 26 25 GLU 27 26 LYS 28 27 ASN 29 28 VAL 30 29 SER 31 30 GLN 32 31 ALA 33 32 ILE 34 33 HIS 35 34 LYS 36 35 TYR 37 36 ASN 38 37 ALA 39 38 TYR 40 39 ARG 41 40 LYS 42 41 ALA 43 42 ALA 44 43 SER 45 44 VAL 46 45 ILE 47 46 ALA 48 47 LYS 49 48 TYR 50 49 PRO 51 50 HIS 52 51 LYS 53 52 ILE 54 53 LYS 55 54 SER 56 55 GLY 57 56 ALA 58 57 GLU 59 58 ALA 60 59 LYS 61 60 LYS 62 61 LEU 63 62 PRO 64 63 GLY 65 64 VAL 66 65 GLY 67 66 THR 68 67 LYS 69 68 ILE 70 69 ALA 71 70 GLU 72 71 LYS 73 72 ILE 74 73 ASP 75 74 GLU 76 75 PHE 77 76 LEU 78 77 ALA 79 78 THR 80 79 GLY 81 80 LYS 82 81 LEU 83 82 ARG 84 83 LYS 85 84 LEU 86 85 GLU 87 86 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-24 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 18267 DNA_Polymerase_beta_polypeptide 100.00 335 100.00 100.00 3.98e-51 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 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 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 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 PDB 1BPX "Dna Polymerase BetaDNA COMPLEX" 100.00 335 98.85 98.85 1.72e-50 PDB 1BPY "Human Dna Polymerase Beta Complexed With Gapped Dna And Ddctp" 100.00 335 98.85 98.85 1.72e-50 PDB 1BPZ "Human Dna Polymerase Beta Complexed With Nicked Dna" 100.00 335 98.85 98.85 1.72e-50 PDB 1DK2 "Refined Solution Structure Of The N-Terminal Domain Of Dna Polymerase Beta" 97.70 86 100.00 100.00 2.12e-52 PDB 1DK3 "Refined Solution Structure Of The N-Terminal Domain Of Dna Polymerase Beta" 100.00 87 100.00 100.00 3.71e-54 PDB 1HUO "Crystal Structure Of Dna Polymerase Beta Complexed With Dna And Cr-Tmppcp" 100.00 335 100.00 100.00 3.98e-51 PDB 1HUZ "Crystal Structure Of Dna Polymerase Complexed With Dna And Cr-Pcp" 100.00 335 100.00 100.00 3.98e-51 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 PDB 2FMQ "Sodium In Active Site Of Dna Polymerase Beta" 100.00 335 98.85 98.85 1.72e-50 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 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 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 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 PDB 2P66 "Human Dna Polymerase Beta Complexed With Tetrahydrofuran (abasic Site) Containing Dna" 100.00 335 98.85 98.85 1.72e-50 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 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 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 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 PDB 3GDX "Dna Polymerase Beta With A Gapped Dnd Substrate And Dtmp(Cf2)pp" 89.66 326 98.72 98.72 1.17e-43 PDB 3ISB "Binary Complex Of Human Dna Polymerase Beta With A Gapped Dna" 100.00 335 98.85 98.85 1.72e-50 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 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 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 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 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 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 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 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 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 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 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 PDB 3OGU "Dna Polymerase Beta Mutant 5p20 Complexed With 6bp Of Dna" 100.00 335 97.70 97.70 1.12e-49 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 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 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 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 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 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 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 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 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 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 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 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 PDB 3UXN "Crystal Structure Of Rat Dna Polymerase Beta, Wild Type Apoenzyme" 100.00 335 100.00 100.00 3.98e-51 PDB 3UXO "Crystal Structure Of Rat Dna Polymerase Beta Mutator I260q Apoenzyme" 100.00 335 100.00 100.00 3.65e-51 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 PDB 3V72 "Crystal Structure Of Rat Dna Polymerase Beta Mutator E295k: Enzyme- Dsdna" 100.00 335 100.00 100.00 4.67e-51 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 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 PDB 3V7L "Apo Structure Of Rat Dna Polymerase Beta K72e Variant" 96.55 340 98.81 100.00 2.74e-48 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 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 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 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 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 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 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 PDB 4F5Q "Closed Ternary Complex Of R283k Dna Polymerase Beta" 100.00 335 98.85 98.85 1.96e-50 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 PDB 4GXI "R283k Dna Polymerase Beta Binary Complex With A Templating 8og" 100.00 335 98.85 98.85 1.96e-50 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 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 PDB 4JWM "Ternary Complex Of D256e Mutant Of Dna Polymerase Beta" 100.00 335 98.85 98.85 1.68e-50 PDB 4JWN "Ternary Complex Of D256a Mutant Of Dna Polymerase Beta" 100.00 335 98.85 98.85 1.72e-50 PDB 4KLD "Dna Polymerase Beta Matched Substrate Complex With Ca2+, 0 S" 100.00 335 98.85 98.85 1.72e-50 PDB 4KLE "Dna Polymerase Beta Matched Reactant Complex With Mg2+, 10 S" 100.00 335 98.85 98.85 1.72e-50 PDB 4KLF "Dna Polymerase Beta Matched Reactant Complex With Mg2+, 20 S" 100.00 335 98.85 98.85 1.72e-50 PDB 4KLG "Dna Polymerase Beta Matched Product Complex With Mg2+, 40 S" 100.00 335 98.85 98.85 1.72e-50 PDB 4KLH "Dna Polymerase Beta Matched Product Complex With Mn2+, 40 S" 100.00 335 98.85 98.85 1.72e-50 PDB 4KLI "Dna Polymerase Beta Matched Product Complex With Mg2+, 90 S" 100.00 335 98.85 98.85 1.72e-50 PDB 4KLJ "Dna Polymerase Beta Matched Product Complex With Mg2+, 5 Min" 100.00 335 98.85 98.85 1.72e-50 PDB 4KLL "Dna Polymerase Beta Matched Product Complex With Mg2+, 45 Min" 100.00 335 98.85 98.85 1.72e-50 PDB 4KLM "Dna Polymerase Beta Matched Product Complex With Mg2+, 11 H" 100.00 335 98.85 98.85 1.72e-50 PDB 4KLO "Dna Polymerase Beta Matched Nick Complex With Mg2+ And Ppi, 30 Min" 100.00 335 98.85 98.85 1.72e-50 PDB 4KLQ "Observing A Dna Polymerase Choose Right From Wrong." 100.00 335 98.85 98.85 1.72e-50 PDB 4KLS "Dna Polymerase Beta Mismatched Reactant Complex With Mn2+, 10 Min" 100.00 335 98.85 98.85 1.72e-50 PDB 4KLT "Dna Polymerase Beta Mismatched Product Complex With Mn2+, 30 Min" 100.00 335 98.85 98.85 1.72e-50 PDB 4KLU "Dna Polymerase Beta Mismatched Product Complex With Mn2+, 15 H" 100.00 335 98.85 98.85 1.72e-50 PDB 4LVS "Dna Polymerase Beta Mismatched Substrate Complex With Mn2+, 2.5 Min" 100.00 335 98.85 98.85 1.72e-50 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 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 PDB 4M9G "Dna Polymerase Beta E295k Binary Complex" 100.00 335 98.85 98.85 1.87e-50 PDB 4M9H "Dna Polymerase Beta E295k Soaked With Dttp" 100.00 335 98.85 98.85 1.87e-50 PDB 4M9J "Dna Polymerase Beta E295k Soaked With Dumpnpp" 100.00 335 98.85 98.85 1.87e-50 PDB 4M9L "Dna Polymerase Beta E295k Soaked With Dctp" 100.00 335 98.85 98.85 1.87e-50 PDB 4M9N "Dna Polymerase Beta E295k Soaked With Datp" 100.00 335 98.85 98.85 1.87e-50 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 PDB 4O9M "Human Dna Polymerase Beta Complexed With Adenylated Tetrahydrofuran (abasic Site) Containing Dna" 100.00 335 98.85 98.85 1.72e-50 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 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 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 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 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 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 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 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 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 PDB 4PPX "Dna Polymerase Beta E295k With Spiroiminodihydantoin In Templating Position" 100.00 335 98.85 98.85 1.87e-50 PDB 4R63 "Binary Complex Crystal Structure Of R258a Mutant Of Dna Polymerase Beta" 100.00 335 98.85 98.85 1.87e-50 PDB 4R64 "Binary Complex Crystal Structure Of E295k Mutant Of Dna Polymerase Beta" 100.00 335 98.85 98.85 1.87e-50 PDB 4R65 "Ternary Complex Crystal Structure Of R258a Mutant Of Dna Polymerase Beta" 100.00 335 98.85 98.85 1.87e-50 PDB 4R66 "Ternary Complex Crystal Structure Of E295k Mutant Of Dna Polymerase Beta" 100.00 335 98.85 98.85 1.87e-50 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 PDB 4TUQ "Human Dna Polymerase Beta Inserting Dcmpnpp Opposite Gg Template (gg0b)." 89.66 326 98.72 98.72 1.17e-43 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 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 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 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 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 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 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 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 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 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 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 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 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 PDB 5BOM "Dna Polymerase Beta Binary Complex With A Templating 5clc" 100.00 335 98.85 98.85 1.72e-50 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 DBJ BAA06099 "DNA polymerase beta [Homo sapiens]" 100.00 335 98.85 98.85 1.72e-50 DBJ BAC36630 "unnamed protein product [Mus musculus]" 100.00 335 100.00 100.00 4.67e-51 DBJ BAD97257 "polymerase (DNA directed), beta variant [Homo sapiens]" 100.00 335 98.85 98.85 1.76e-50 DBJ BAE27405 "unnamed protein product [Mus musculus]" 100.00 335 100.00 100.00 4.67e-51 DBJ BAE30399 "unnamed protein product [Mus musculus]" 100.00 335 100.00 100.00 4.67e-51 EMBL CAD29079 "chimeric DNA-directed DNA polymerase bf4-1 [synthetic construct]" 100.00 325 100.00 100.00 5.34e-51 EMBL CAD29080 "chimeric DNA-directed DNA polymerase bf4-2 [synthetic construct]" 100.00 340 100.00 100.00 4.34e-51 EMBL CAD29081 "chimeric DNA-directed DNA polymerase bf4-4 [synthetic construct]" 100.00 324 100.00 100.00 3.86e-51 EMBL CAD29082 "chimeric DNA-directed DNA polymerase bf4-7 [synthetic construct]" 100.00 325 100.00 100.00 5.29e-51 EMBL CAD29083 "chimeric DNA-directed DNA polymerase bf4-8 [synthetic construct]" 100.00 322 100.00 100.00 4.19e-51 GB AAA41900 "polymerase beta [Rattus norvegicus]" 80.46 318 100.00 100.00 7.73e-38 GB AAA41901 "DNA polymerase beta [Rattus norvegicus]" 100.00 335 100.00 100.00 3.94e-51 GB AAA60133 "beta-polymerase [Homo sapiens]" 100.00 335 98.85 98.85 1.67e-50 GB AAB00389 "high molecular weight DNA polymerase beta [Rattus norvegicus]" 100.00 335 100.00 100.00 3.94e-51 GB AAB59441 "beta-polymerase [Homo sapiens]" 100.00 335 98.85 98.85 1.72e-50 REF NP_001029936 "DNA polymerase beta [Bos taurus]" 100.00 335 97.70 98.85 6.55e-50 REF NP_001244632 "DNA polymerase beta [Macaca mulatta]" 100.00 335 97.70 98.85 1.37e-49 REF NP_001297194 "polymerase (DNA directed), beta [Heterocephalus glaber]" 100.00 335 98.85 100.00 1.29e-50 REF NP_002681 "DNA polymerase beta [Homo sapiens]" 100.00 335 98.85 98.85 1.72e-50 REF NP_035260 "DNA polymerase beta [Mus musculus]" 100.00 335 100.00 100.00 4.67e-51 SP P06746 "RecName: Full=DNA polymerase beta" 100.00 335 98.85 98.85 1.72e-50 SP P06766 "RecName: Full=DNA polymerase beta" 100.00 335 100.00 100.00 3.98e-51 SP Q27958 "RecName: Full=DNA polymerase beta" 100.00 335 97.70 98.85 6.55e-50 SP Q8K409 "RecName: Full=DNA polymerase beta" 100.00 335 100.00 100.00 4.67e-51 TPG DAA14453 "TPA: DNA polymerase beta [Bos taurus]" 100.00 335 97.70 98.85 6.55e-50 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $B-Pol-N-terminal-Domain rat 10116 Eukaryota Metazoa rattus norvegicus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_type _Vector_name $B-Pol-N-terminal-Domain 'recombinant technology' 'E. coli' Escherichia coli BL21 'BL21 (DE3)/pLysS' plasmid pRSET-8k stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _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. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $B-Pol-N-terminal-Domain 2.8 mM '[U-100% 13C; U-100% 15N]' Tris-d11 5 mM . NaCl 400 mM . stop_ save_ save_sample_two _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $B-Pol-N-terminal-Domain 4.7 mM '[U-100% 15N]' Tris-d11 5 mM . NaCl 400 mM . stop_ save_ save_sample_three _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $B-Pol-N-terminal-Domain 1.4 mM . Tris-d11 5 mM . NaCl 400 mM . stop_ save_ ############################ # Computer software used # ############################ save_software_one _Saveframe_category software _Name Felix _Version 2.10 loop_ _Task 'processing and analysis of spectra' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer 'General Electric' _Model GN-500 _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label . save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label . save_ save_2D_1H-1H_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H DQF-COSY' _Sample_label . save_ save_2D_1H-15N_HMQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HMQC' _Sample_label . save_ save_2D_1H-15N_HMQC-J_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HMQC-J' _Sample_label . save_ save_3D_1H-15N-1H_NOESY-HMQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N-1H NOESY-HMQC' _Sample_label . save_ save_3D_1H-15N-1H_TOCSY-HMQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N-1H TOCSY-HMQC' _Sample_label . save_ save_3D_1H-13C-1H_TOCSY-HMQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-1H TOCSY-HMQC' _Sample_label . save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label . save_ save_3D_HN(CO)CA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label . save_ save_3D_HNCO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_1H-13C-1H_NOESY-HMQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-1H NOESY-HMQC' _Sample_label . save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.800 . . pH 6.7 0.15 na temperature 298 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one $sample_two $sample_three stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'B-Pol N-terminal Domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 2 SER CA C 57.7 . 1 2 . 2 SER HA H 4.45 . 1 3 . 2 SER CB C 61.3 . 1 4 . 2 SER HB2 H 3.85 . 1 5 . 2 SER HB3 H 3.85 . 1 6 . 3 LYS CA C 57.2 . 1 7 . 3 LYS HA H 3.75 . 1 8 . 3 LYS CB C 32.1 . 1 9 . 3 LYS HB2 H 1.90 . 1 10 . 3 LYS HB3 H 1.90 . 1 11 . 3 LYS CG C 23.8 . 1 12 . 3 LYS HG2 H 1.49 . 1 13 . 3 LYS HG3 H 1.49 . 1 14 . 3 LYS CD C 28.5 . 1 15 . 3 LYS HD2 H 1.73 . 1 16 . 3 LYS HD3 H 1.73 . 1 17 . 3 LYS HE2 H 3.02 . 1 18 . 3 LYS HE3 H 3.02 . 1 19 . 4 ARG CA C 55.1 . 1 20 . 4 ARG HA H 3.98 . 1 21 . 4 ARG CB C 31.1 . 1 22 . 4 ARG HB2 H 1.88 . 1 23 . 4 ARG HB3 H 1.88 . 1 24 . 4 ARG CG C 25.9 . 1 25 . 4 ARG HG2 H 1.66 . 1 26 . 4 ARG HG3 H 1.66 . 1 27 . 4 ARG CD C 42.6 . 1 28 . 4 ARG HD2 H 3.21 . 1 29 . 4 ARG HD3 H 3.21 . 1 30 . 5 LYS N N 127.4 . 1 31 . 5 LYS H H 8.42 . 1 32 . 5 LYS CA C 55.6 . 1 33 . 5 LYS HA H 4.30 . 1 34 . 5 LYS CB C 33.2 . 1 35 . 5 LYS HB2 H 1.76 . 1 36 . 5 LYS HB3 H 1.76 . 1 37 . 5 LYS HE2 H 3.02 . 1 38 . 5 LYS HE3 H 3.02 . 1 39 . 5 LYS C C 175.6 . 1 40 . 6 ALA N N 130.8 . 1 41 . 6 ALA H H 8.33 . 1 42 . 6 ALA CA C 50.4 . 1 43 . 6 ALA HA H 4.11 . 1 44 . 6 ALA HB H 1.37 . 1 45 . 6 ALA CB C 17.5 . 1 46 . 7 PRO CD C 50.4 . 1 47 . 7 PRO CA C 63.4 . 1 48 . 7 PRO HA H 4.38 . 1 49 . 7 PRO CB C 32.1 . 1 50 . 7 PRO HB2 H 1.92 . 2 51 . 7 PRO HB3 H 2.31 . 2 52 . 7 PRO CG C 27.4 . 1 53 . 7 PRO HG2 H 2.05 . 1 54 . 7 PRO HG3 H 2.05 . 1 55 . 7 PRO HD2 H 3.66 . 2 56 . 7 PRO HD3 H 3.80 . 2 57 . 7 PRO C C 177.4 . 1 58 . 8 GLN N N 123.1 . 1 59 . 8 GLN H H 8.44 . 1 60 . 8 GLN CA C 55.6 . 1 61 . 8 GLN HA H 4.29 . 1 62 . 8 GLN CB C 29.0 . 1 63 . 8 GLN HB2 H 2.02 . 2 64 . 8 GLN HB3 H 2.09 . 2 65 . 8 GLN CG C 33.7 . 1 66 . 8 GLN HG2 H 2.34 . 1 67 . 8 GLN HG3 H 2.34 . 1 68 . 8 GLN NE2 N 115.8 . 1 69 . 8 GLN HE21 H 6.89 . 2 70 . 8 GLN HE22 H 7.59 . 2 71 . 8 GLN C C 176.0 . 1 72 . 9 GLU N N 125.7 . 1 73 . 9 GLU H H 8.47 . 1 74 . 9 GLU CA C 56.1 . 1 75 . 9 GLU HA H 4.36 . 1 76 . 9 GLU CB C 29.5 . 1 77 . 9 GLU HB2 H 2.02 . 2 78 . 9 GLU HB3 H 2.07 . 2 79 . 9 GLU CG C 36.3 . 1 80 . 9 GLU HG2 H 2.27 . 1 81 . 9 GLU HG3 H 2.27 . 1 82 . 9 GLU C C 177.9 . 1 83 . 10 THR N N 118.0 . 1 84 . 10 THR H H 8.21 . 1 85 . 10 THR CA C 60.8 . 1 86 . 10 THR HA H 4.45 . 1 87 . 10 THR CB C 69.7 . 1 88 . 10 THR HB H 4.32 . 1 89 . 10 THR HG2 H 1.20 . 1 90 . 10 THR CG2 C 20.6 . 1 91 . 11 LEU N N 128.6 . 1 92 . 11 LEU H H 8.58 . 1 93 . 11 LEU CA C 54.6 . 1 94 . 11 LEU HA H 4.29 . 1 95 . 11 LEU CB C 42.0 . 1 96 . 11 LEU HB2 H 1.47 . 2 97 . 11 LEU HB3 H 1.61 . 2 98 . 11 LEU CG C 27.4 . 1 99 . 11 LEU HG H 1.64 . 1 100 . 11 LEU HD1 H 0.82 . 2 101 . 11 LEU HD2 H 0.90 . 2 102 . 11 LEU CD1 C 24.3 . 1 103 . 11 LEU CD2 C 23.3 . 1 104 . 11 LEU C C 175.0 . 1 105 . 12 ASN CA C 54.6 . 1 106 . 12 ASN HA H 4.45 . 1 107 . 12 ASN CB C 40.0 . 1 108 . 12 ASN HB2 H 2.61 . 2 109 . 12 ASN HB3 H 2.81 . 2 110 . 12 ASN ND2 N 115.8 . 1 111 . 12 ASN HD21 H 6.80 . 2 112 . 12 ASN HD22 H 7.52 . 2 113 . 12 ASN C C 180.2 . 1 114 . 13 GLY N N 112.5 . 1 115 . 13 GLY H H 8.12 . 1 116 . 13 GLY CA C 47.3 . 1 117 . 13 GLY HA2 H 3.90 . 1 118 . 13 GLY HA3 H 3.90 . 1 119 . 14 GLY N N 111.3 . 1 120 . 14 GLY H H 8.51 . 1 121 . 14 GLY CA C 44.7 . 1 122 . 14 GLY HA2 H 3.93 . 1 123 . 14 GLY HA3 H 3.93 . 1 124 . 14 GLY C C 176.7 . 1 125 . 15 ILE N N 123.6 . 1 126 . 15 ILE H H 7.71 . 1 127 . 15 ILE CA C 65.0 . 1 128 . 15 ILE HA H 3.28 . 1 129 . 15 ILE CB C 38.4 . 1 130 . 15 ILE HB H 1.82 . 1 131 . 15 ILE HG2 H 0.84 . 1 132 . 15 ILE CG2 C 18.6 . 1 133 . 15 ILE CG1 C 28.5 . 1 134 . 15 ILE HG12 H 2.08 . 1 135 . 15 ILE HG13 H 2.08 . 1 136 . 15 ILE HD1 H 0.98 . 1 137 . 15 ILE CD1 C 14.4 . 1 138 . 15 ILE C C 177.2 . 1 139 . 16 THR N N 118.0 . 1 140 . 16 THR H H 8.30 . 1 141 . 16 THR CA C 67.6 . 1 142 . 16 THR HA H 3.65 . 1 143 . 16 THR CB C 67.6 . 1 144 . 16 THR HB H 4.25 . 1 145 . 16 THR HG2 H 1.22 . 1 146 . 16 THR CG2 C 22.7 . 1 147 . 16 THR C C 176.4 . 1 148 . 17 ASP N N 124.0 . 1 149 . 17 ASP H H 8.55 . 1 150 . 17 ASP CA C 57.2 . 1 151 . 17 ASP HA H 4.29 . 1 152 . 17 ASP HB2 H 2.56 . 2 153 . 17 ASP HB3 H 2.76 . 2 154 . 17 ASP C C 179.3 . 1 155 . 18 MET N N 124.0 . 1 156 . 18 MET H H 7.27 . 1 157 . 18 MET CA C 58.7 . 1 158 . 18 MET HA H 3.91 . 1 159 . 18 MET CB C 32.1 . 1 160 . 18 MET HB2 H 1.77 . 1 161 . 18 MET HB3 H 1.77 . 1 162 . 18 MET HG2 H 1.43 . 1 163 . 18 MET HG3 H 1.43 . 1 164 . 18 MET HE H 2.07 . 1 165 . 18 MET C C 178.5 . 1 166 . 19 LEU N N 124.4 . 1 167 . 19 LEU H H 8.03 . 1 168 . 19 LEU CA C 57.7 . 1 169 . 19 LEU HA H 3.83 . 1 170 . 19 LEU HB2 H 1.40 . 2 171 . 19 LEU HB3 H 1.85 . 2 172 . 19 LEU CG C 27.4 . 1 173 . 19 LEU HG H 1.66 . 1 174 . 19 LEU HD1 H 0.82 . 2 175 . 19 LEU HD2 H 0.69 . 2 176 . 19 LEU CD1 C 26.4 . 1 177 . 19 LEU CD2 C 22.7 . 1 178 . 19 LEU C C 179.5 . 1 179 . 20 VAL N N 124.0 . 1 180 . 20 VAL H H 8.29 . 1 181 . 20 VAL CA C 67.1 . 1 182 . 20 VAL HA H 3.44 . 1 183 . 20 VAL CB C 31.1 . 1 184 . 20 VAL HB H 2.14 . 1 185 . 20 VAL HG1 H 0.94 . 2 186 . 20 VAL HG2 H 1.01 . 2 187 . 20 VAL CG1 C 20.6 . 1 188 . 20 VAL CG2 C 22.7 . 1 189 . 20 VAL C C 178.4 . 1 190 . 21 GLU N N 124.4 . 1 191 . 21 GLU H H 7.90 . 1 192 . 21 GLU CA C 59.3 . 1 193 . 21 GLU HA H 4.14 . 1 194 . 21 GLU CB C 30.6 . 1 195 . 21 GLU HB2 H 2.11 . 1 196 . 21 GLU HB3 H 2.11 . 1 197 . 21 GLU CG C 35.8 . 1 198 . 21 GLU HG2 H 2.26 . 1 199 . 21 GLU HG3 H 2.26 . 1 200 . 21 GLU C C 179.7 . 1 201 . 22 LEU N N 124.8 . 1 202 . 22 LEU H H 8.12 . 1 203 . 22 LEU CA C 57.7 . 1 204 . 22 LEU HA H 4.05 . 1 205 . 22 LEU CB C 40.0 . 1 206 . 22 LEU HB2 H 0.89 . 2 207 . 22 LEU HB3 H 1.30 . 2 208 . 22 LEU CG C 26.4 . 1 209 . 22 LEU HG H 1.56 . 1 210 . 22 LEU HD1 H 0.72 . 2 211 . 22 LEU HD2 H 0.57 . 2 212 . 22 LEU CD1 C 22.7 . 1 213 . 22 LEU CD2 C 24.8 . 1 214 . 22 LEU C C 179.7 . 1 215 . 23 ALA N N 124.8 . 1 216 . 23 ALA H H 8.51 . 1 217 . 23 ALA CA C 55.1 . 1 218 . 23 ALA HA H 4.12 . 1 219 . 23 ALA HB H 1.67 . 1 220 . 23 ALA CB C 17.5 . 1 221 . 23 ALA C C 179.7 . 1 222 . 24 ASN N N 120.2 . 1 223 . 24 ASN H H 8.47 . 1 224 . 24 ASN CA C 56.1 . 1 225 . 24 ASN HA H 4.54 . 1 226 . 24 ASN CB C 37.1 . 1 227 . 24 ASN HB2 H 2.83 . 2 228 . 24 ASN HB3 H 2.98 . 2 229 . 24 ASN ND2 N 116.0 . 1 230 . 24 ASN HD21 H 6.96 . 2 231 . 24 ASN HD22 H 7.63 . 2 232 . 24 ASN C C 177.5 . 1 233 . 25 PHE N N 125.7 . 1 234 . 25 PHE H H 8.18 . 1 235 . 25 PHE CA C 61.3 . 1 236 . 25 PHE HA H 4.31 . 1 237 . 25 PHE CB C 39.0 . 1 238 . 25 PHE HB2 H 3.42 . 2 239 . 25 PHE HB3 H 3.28 . 2 240 . 25 PHE HD1 H 7.24 . 1 241 . 25 PHE HD2 H 7.24 . 1 242 . 25 PHE HE1 H 7.36 . 1 243 . 25 PHE HE2 H 7.36 . 1 244 . 25 PHE HZ H 7.30 . 1 245 . 25 PHE C C 178.3 . 1 246 . 26 GLU N N 122.3 . 1 247 . 26 GLU H H 8.43 . 1 248 . 26 GLU CA C 57.7 . 1 249 . 26 GLU HA H 4.42 . 1 250 . 26 GLU CB C 30.0 . 1 251 . 26 GLU HB2 H 2.08 . 1 252 . 26 GLU HB3 H 2.08 . 1 253 . 26 GLU CG C 36.3 . 1 254 . 26 GLU HG2 H 2.40 . 1 255 . 26 GLU HG3 H 2.40 . 1 256 . 26 GLU C C 179.5 . 1 257 . 27 LYS N N 121.4 . 1 258 . 27 LYS H H 8.28 . 1 259 . 27 LYS CA C 59.3 . 1 260 . 27 LYS HA H 3.61 . 1 261 . 27 LYS HB2 H 1.67 . 1 262 . 27 LYS HB3 H 1.67 . 1 263 . 27 LYS HG2 H 1.46 . 1 264 . 27 LYS HG3 H 1.46 . 1 265 . 27 LYS C C 177.1 . 1 266 . 28 ASN N N 116.8 . 1 267 . 28 ASN H H 8.33 . 1 268 . 28 ASN CA C 54.6 . 1 269 . 28 ASN HA H 4.49 . 1 270 . 28 ASN CB C 38.4 . 1 271 . 28 ASN HB2 H 2.77 . 1 272 . 28 ASN HB3 H 2.77 . 1 273 . 28 ASN ND2 N 116.2 . 1 274 . 28 ASN HD21 H 6.97 . 2 275 . 28 ASN HD22 H 7.51 . 2 276 . 28 ASN C C 176.5 . 1 277 . 29 VAL N N 123.1 . 1 278 . 29 VAL H H 8.32 . 1 279 . 29 VAL CA C 64.5 . 1 280 . 29 VAL HA H 3.96 . 1 281 . 29 VAL CB C 31.1 . 1 282 . 29 VAL HB H 1.30 . 1 283 . 29 VAL CG1 C 21.2 . 1 284 . 29 VAL HG1 H 0.71 . 1 285 . 29 VAL HG2 H 0.71 . 1 286 . 29 VAL C C 177.2 . 1 287 . 30 SER N N 116.8 . 1 288 . 30 SER H H 7.28 . 1 289 . 30 SER CA C 58.7 . 1 290 . 30 SER HA H 4.28 . 1 291 . 30 SER CB C 62.9 . 1 292 . 30 SER HB2 H 3.94 . 1 293 . 30 SER HB3 H 3.94 . 1 294 . 31 GLN N N 118.5 . 1 295 . 31 GLN H H 7.45 . 1 296 . 31 GLN CA C 56.7 . 1 297 . 31 GLN HA H 3.97 . 1 298 . 31 GLN CB C 25.9 . 1 299 . 31 GLN HB2 H 2.19 . 2 300 . 31 GLN HB3 H 2.23 . 2 301 . 31 GLN CG C 33.7 . 1 302 . 31 GLN HG2 H 2.19 . 1 303 . 31 GLN HG3 H 2.19 . 1 304 . 31 GLN NE2 N 115.1 . 1 305 . 31 GLN HE21 H 6.72 . 2 306 . 31 GLN HE22 H 7.34 . 2 307 . 31 GLN C C 178.2 . 1 308 . 32 ALA N N 127.4 . 1 309 . 32 ALA H H 8.18 . 1 310 . 32 ALA CA C 52.0 . 1 311 . 32 ALA HA H 4.26 . 1 312 . 32 ALA HB H 1.34 . 1 313 . 32 ALA CB C 18.6 . 1 314 . 32 ALA C C 176.6 . 1 315 . 33 ILE N N 127.4 . 1 316 . 33 ILE H H 8.32 . 1 317 . 33 ILE CA C 62.4 . 1 318 . 33 ILE HA H 3.86 . 1 319 . 33 ILE CB C 37.3 . 1 320 . 33 ILE HB H 1.97 . 1 321 . 33 ILE HG2 H 0.90 . 1 322 . 33 ILE CG2 C 18.0 . 1 323 . 33 ILE CG1 C 28.5 . 1 324 . 33 ILE HG12 H 1.42 . 1 325 . 33 ILE HG13 H 1.42 . 1 326 . 33 ILE HD1 H 0.73 . 1 327 . 33 ILE CD1 C 11.3 . 1 328 . 34 HIS CA C 58.2 . 1 329 . 34 HIS HA H 4.58 . 1 330 . 34 HIS CB C 29.0 . 1 331 . 34 HIS HB2 H 3.14 . 1 332 . 34 HIS HB3 H 3.14 . 1 333 . 34 HIS HD2 H 7.92 . 1 334 . 34 HIS HE1 H 7.12 . 1 335 . 34 HIS C C 179.2 . 1 336 . 35 LYS N N 124.4 . 1 337 . 35 LYS H H 6.91 . 1 338 . 35 LYS CA C 58.7 . 1 339 . 35 LYS HA H 3.96 . 1 340 . 35 LYS HB2 H 1.81 . 1 341 . 35 LYS HB3 H 1.81 . 1 342 . 35 LYS CG C 25.3 . 1 343 . 35 LYS HG2 H 1.08 . 1 344 . 35 LYS HG3 H 1.08 . 1 345 . 35 LYS CD C 28.0 . 1 346 . 35 LYS HD2 H 1.62 . 1 347 . 35 LYS HD3 H 1.62 . 1 348 . 35 LYS CE C 42.0 . 1 349 . 35 LYS HE2 H 2.92 . 1 350 . 35 LYS HE3 H 2.92 . 1 351 . 35 LYS C C 178.0 . 1 352 . 36 TYR N N 123.6 . 1 353 . 36 TYR H H 7.83 . 1 354 . 36 TYR CA C 60.8 . 1 355 . 36 TYR HA H 4.28 . 1 356 . 36 TYR CB C 36.8 . 1 357 . 36 TYR HB2 H 3.07 . 2 358 . 36 TYR HB3 H 3.31 . 2 359 . 36 TYR HD1 H 7.29 . 1 360 . 36 TYR HD2 H 7.29 . 1 361 . 36 TYR HE1 H 6.87 . 1 362 . 36 TYR HE2 H 6.87 . 1 363 . 36 TYR C C 176.0 . 1 364 . 37 ASN N N 120.2 . 1 365 . 37 ASN H H 8.58 . 1 366 . 37 ASN CA C 55.6 . 1 367 . 37 ASN HA H 4.16 . 1 368 . 37 ASN CB C 37.3 . 1 369 . 37 ASN HB2 H 2.77 . 2 370 . 37 ASN HB3 H 2.87 . 2 371 . 37 ASN ND2 N 115.5 . 1 372 . 37 ASN HD21 H 7.05 . 2 373 . 37 ASN HD22 H 7.75 . 2 374 . 37 ASN C C 178.1 . 1 375 . 38 ALA N N 126.5 . 1 376 . 38 ALA H H 7.82 . 1 377 . 38 ALA CA C 54.6 . 1 378 . 38 ALA HA H 4.12 . 1 379 . 38 ALA HB H 1.38 . 1 380 . 38 ALA CB C 17.5 . 1 381 . 38 ALA C C 181.3 . 1 382 . 39 TYR N N 121.9 . 1 383 . 39 TYR H H 8.43 . 1 384 . 39 TYR CA C 60.8 . 1 385 . 39 TYR HA H 4.36 . 1 386 . 39 TYR CB C 37.9 . 1 387 . 39 TYR HB2 H 2.87 . 2 388 . 39 TYR HB3 H 3.23 . 2 389 . 39 TYR HD1 H 6.93 . 1 390 . 39 TYR HD2 H 6.93 . 1 391 . 39 TYR HE1 H 6.76 . 1 392 . 39 TYR HE2 H 6.76 . 1 393 . 39 TYR C C 178.5 . 1 394 . 40 ARG N N 121.4 . 1 395 . 40 ARG H H 8.21 . 1 396 . 40 ARG CA C 59.3 . 1 397 . 40 ARG HA H 3.81 . 1 398 . 40 ARG CB C 30.0 . 1 399 . 40 ARG HB2 H 1.64 . 1 400 . 40 ARG HB3 H 1.64 . 1 401 . 40 ARG CG C 28.1 . 1 402 . 40 ARG HG2 H 1.33 . 1 403 . 40 ARG HG3 H 1.33 . 1 404 . 40 ARG CD C 41.9 . 1 405 . 40 ARG HD2 H 2.73 . 2 406 . 40 ARG HD3 H 2.90 . 2 407 . 40 ARG C C 179.6 . 1 408 . 41 LYS N N 124.4 . 1 409 . 41 LYS H H 8.21 . 1 410 . 41 LYS CA C 58.7 . 1 411 . 41 LYS HA H 4.11 . 1 412 . 41 LYS HB2 H 1.93 . 1 413 . 41 LYS HB3 H 1.93 . 1 414 . 41 LYS CG C 24.3 . 1 415 . 41 LYS HG2 H 1.47 . 1 416 . 41 LYS HG3 H 1.47 . 1 417 . 41 LYS HE2 H 3.06 . 1 418 . 41 LYS HE3 H 3.06 . 1 419 . 41 LYS C C 177.0 . 1 420 . 42 ALA N N 123.6 . 1 421 . 42 ALA H H 7.76 . 1 422 . 42 ALA CA C 54.0 . 1 423 . 42 ALA HA H 3.95 . 1 424 . 42 ALA HB H 1.60 . 1 425 . 42 ALA CB C 19.1 . 1 426 . 42 ALA C C 179.0 . 1 427 . 43 ALA N N 122.3 . 1 428 . 43 ALA H H 8.29 . 1 429 . 43 ALA CA C 55.1 . 1 430 . 43 ALA HA H 3.81 . 1 431 . 43 ALA HB H 1.53 . 1 432 . 43 ALA CB C 17.5 . 1 433 . 43 ALA C C 178.8 . 1 434 . 44 SER N N 115.9 . 1 435 . 44 SER H H 7.78 . 1 436 . 44 SER CA C 61.3 . 1 437 . 44 SER HA H 4.20 . 1 438 . 44 SER CB C 62.9 . 1 439 . 44 SER HB2 H 4.01 . 1 440 . 44 SER HB3 H 4.01 . 1 441 . 44 SER C C 179.3 . 1 442 . 45 VAL N N 124.4 . 1 443 . 45 VAL H H 7.77 . 1 444 . 45 VAL CA C 65.6 . 1 445 . 45 VAL HA H 3.81 . 1 446 . 45 VAL CB C 31.6 . 1 447 . 45 VAL HB H 2.13 . 1 448 . 45 VAL HG1 H 1.00 . 2 449 . 45 VAL HG2 H 1.12 . 2 450 . 45 VAL CG1 C 20.6 . 1 451 . 45 VAL CG2 C 21.7 . 1 452 . 45 VAL C C 179.1 . 1 453 . 46 ILE N N 124.8 . 1 454 . 46 ILE H H 8.19 . 1 455 . 46 ILE CA C 65.0 . 1 456 . 46 ILE HA H 3.52 . 1 457 . 46 ILE CB C 37.3 . 1 458 . 46 ILE HB H 1.78 . 1 459 . 46 ILE HG2 H 0.84 . 1 460 . 46 ILE CG2 C 17.0 . 1 461 . 46 ILE CG1 C 30.6 . 1 462 . 46 ILE HG12 H 1.62 . 1 463 . 46 ILE HG13 H 1.62 . 1 464 . 46 ILE HD1 H 0.66 . 1 465 . 46 ILE CD1 C 13.9 . 1 466 . 46 ILE C C 178.4 . 1 467 . 47 ALA N N 124.8 . 1 468 . 47 ALA H H 8.34 . 1 469 . 47 ALA CA C 54.6 . 1 470 . 47 ALA HA H 4.16 . 1 471 . 47 ALA HB H 1.56 . 1 472 . 47 ALA CB C 18.0 . 1 473 . 47 ALA C C 179.0 . 1 474 . 48 LYS N N 116.3 . 1 475 . 48 LYS H H 7.00 . 1 476 . 48 LYS CA C 55.6 . 1 477 . 48 LYS HA H 4.35 . 1 478 . 48 LYS CB C 32.6 . 1 479 . 48 LYS HB2 H 2.03 . 2 480 . 48 LYS HB3 H 1.83 . 2 481 . 48 LYS CG C 23.8 . 1 482 . 48 LYS HG2 H 1.56 . 1 483 . 48 LYS HG3 H 1.56 . 1 484 . 48 LYS CD C 28.5 . 1 485 . 48 LYS HD2 H 1.62 . 1 486 . 48 LYS HD3 H 1.62 . 1 487 . 48 LYS CE C 41.5 . 1 488 . 48 LYS HE2 H 3.02 . 1 489 . 48 LYS HE3 H 3.02 . 1 490 . 48 LYS C C 175.8 . 1 491 . 49 TYR N N 129.1 . 1 492 . 49 TYR H H 7.63 . 1 493 . 49 TYR CA C 55.1 . 1 494 . 49 TYR HA H 4.97 . 1 495 . 49 TYR HB2 H 3.17 . 2 496 . 49 TYR HB3 H 3.25 . 2 497 . 49 TYR HD1 H 7.42 . 1 498 . 49 TYR HD2 H 7.42 . 1 499 . 49 TYR HE1 H 6.83 . 1 500 . 49 TYR HE2 H 6.83 . 1 501 . 50 PRO CD C 50.9 . 1 502 . 50 PRO CA C 62.9 . 1 503 . 50 PRO HA H 4.32 . 1 504 . 50 PRO HB2 H 1.59 . 2 505 . 50 PRO HB3 H 1.79 . 2 506 . 50 PRO CG C 26.4 . 1 507 . 50 PRO HG2 H 0.94 . 2 508 . 50 PRO HG3 H 1.76 . 2 509 . 50 PRO HD2 H 3.03 . 2 510 . 50 PRO HD3 H 3.89 . 2 511 . 50 PRO C C 173.9 . 1 512 . 51 HIS N N 118.9 . 1 513 . 51 HIS H H 6.20 . 1 514 . 51 HIS CA C 53.5 . 1 515 . 51 HIS HA H 4.74 . 1 516 . 51 HIS CB C 32.6 . 1 517 . 51 HIS HB2 H 2.56 . 2 518 . 51 HIS HB3 H 3.02 . 2 519 . 51 HIS HE1 H 7.96 . 1 520 . 51 HIS C C 173.5 . 1 521 . 52 LYS N N 126.1 . 1 522 . 52 LYS H H 8.96 . 1 523 . 52 LYS CA C 56.7 . 1 524 . 52 LYS HA H 4.21 . 1 525 . 52 LYS CB C 32.6 . 1 526 . 52 LYS HB2 H 1.89 . 1 527 . 52 LYS HB3 H 1.89 . 1 528 . 52 LYS CG C 24.8 . 1 529 . 52 LYS HG2 H 1.46 . 1 530 . 52 LYS HG3 H 1.46 . 1 531 . 52 LYS CD C 28.0 . 1 532 . 52 LYS HD2 H 1.73 . 1 533 . 52 LYS HD3 H 1.73 . 1 534 . 52 LYS HE2 H 3.02 . 1 535 . 52 LYS HE3 H 3.02 . 1 536 . 52 LYS C C 176.1 . 1 537 . 53 ILE N N 133.7 . 1 538 . 53 ILE H H 9.35 . 1 539 . 53 ILE CA C 61.3 . 1 540 . 53 ILE HA H 4.17 . 1 541 . 53 ILE CB C 38.4 . 1 542 . 53 ILE HB H 1.74 . 1 543 . 53 ILE HG2 H 0.89 . 1 544 . 53 ILE CG2 C 18.0 . 1 545 . 53 ILE CG1 C 28.0 . 1 546 . 53 ILE HG12 H 1.18 . 2 547 . 53 ILE HG13 H 1.85 . 2 548 . 53 ILE HD1 H 0.76 . 1 549 . 53 ILE CD1 C 12.8 . 1 550 . 53 ILE C C 176.1 . 1 551 . 54 LYS N N 128.6 . 1 552 . 54 LYS H H 9.13 . 1 553 . 54 LYS CA C 56.1 . 1 554 . 54 LYS HA H 4.47 . 1 555 . 54 LYS HB2 H 1.96 . 2 556 . 54 LYS HB3 H 1.88 . 2 557 . 54 LYS HG2 H 1.43 . 1 558 . 54 LYS HG3 H 1.43 . 1 559 . 54 LYS HD2 H 1.74 . 1 560 . 54 LYS HD3 H 1.74 . 1 561 . 54 LYS C C 175.5 . 1 562 . 55 SER N N 113.8 . 1 563 . 55 SER H H 7.49 . 1 564 . 55 SER CA C 57.7 . 1 565 . 55 SER HA H 4.53 . 1 566 . 55 SER CB C 63.4 . 1 567 . 55 SER HB2 H 3.99 . 2 568 . 55 SER HB3 H 4.23 . 2 569 . 55 SER C C 173.4 . 1 570 . 56 GLY N N 115.1 . 1 571 . 56 GLY H H 10.02 . 1 572 . 56 GLY CA C 46.6 . 1 573 . 56 GLY HA2 H 3.55 . 2 574 . 56 GLY HA3 H 4.00 . 2 575 . 56 GLY C C 174.9 . 1 576 . 57 ALA N N 126.5 . 1 577 . 57 ALA H H 8.47 . 1 578 . 57 ALA CA C 54.6 . 1 579 . 57 ALA HA H 3.95 . 1 580 . 57 ALA HB H 1.41 . 1 581 . 57 ALA CB C 17.5 . 1 582 . 57 ALA C C 180.2 . 1 583 . 58 GLU N N 119.7 . 1 584 . 58 GLU H H 7.57 . 1 585 . 58 GLU CA C 58.2 . 1 586 . 58 GLU HA H 3.96 . 1 587 . 58 GLU CB C 29.5 . 1 588 . 58 GLU HB2 H 2.12 . 2 589 . 58 GLU HB3 H 2.18 . 2 590 . 58 GLU CG C 36.8 . 1 591 . 58 GLU HG2 H 2.34 . 1 592 . 58 GLU HG3 H 2.34 . 1 593 . 58 GLU C C 179.0 . 1 594 . 59 ALA N N 123.1 . 1 595 . 59 ALA H H 7.37 . 1 596 . 59 ALA CA C 53.5 . 1 597 . 59 ALA HA H 3.92 . 1 598 . 59 ALA HB H 1.41 . 1 599 . 59 ALA CB C 18.6 . 1 600 . 59 ALA C C 177.1 . 1 601 . 60 LYS N N 117.2 . 1 602 . 60 LYS H H 7.87 . 1 603 . 60 LYS CA C 57.7 . 1 604 . 60 LYS HA H 3.95 . 1 605 . 60 LYS CB C 31.6 . 1 606 . 60 LYS HB2 H 1.77 . 1 607 . 60 LYS HB3 H 1.77 . 1 608 . 60 LYS CG C 24.3 . 1 609 . 60 LYS HG2 H 1.42 . 1 610 . 60 LYS HG3 H 1.42 . 1 611 . 60 LYS HE2 H 2.93 . 1 612 . 60 LYS HE3 H 2.93 . 1 613 . 60 LYS C C 176.2 . 1 614 . 61 LYS N N 118.5 . 1 615 . 61 LYS H H 7.03 . 1 616 . 61 LYS CA C 56.1 . 1 617 . 61 LYS HA H 4.16 . 1 618 . 61 LYS CB C 31.1 . 1 619 . 61 LYS HB2 H 1.93 . 1 620 . 61 LYS HB3 H 1.93 . 1 621 . 61 LYS CG C 24.3 . 1 622 . 61 LYS HG2 H 1.49 . 1 623 . 61 LYS HG3 H 1.49 . 1 624 . 61 LYS CD C 28.5 . 1 625 . 61 LYS HD2 H 1.75 . 1 626 . 61 LYS HD3 H 1.75 . 1 627 . 61 LYS HE2 H 2.94 . 1 628 . 61 LYS HE3 H 2.94 . 1 629 . 61 LYS C C 177.2 . 1 630 . 62 LEU N N 125.7 . 1 631 . 62 LEU H H 7.71 . 1 632 . 62 LEU CA C 52.5 . 1 633 . 62 LEU HA H 4.47 . 1 634 . 62 LEU CB C 40.0 . 1 635 . 62 LEU HB2 H 1.85 . 2 636 . 62 LEU HB3 H 1.12 . 2 637 . 62 LEU CG C 26.9 . 1 638 . 62 LEU HG H 1.46 . 1 639 . 62 LEU HD1 H 0.38 . 2 640 . 62 LEU HD2 H 0.46 . 2 641 . 62 LEU CD1 C 24.3 . 1 642 . 62 LEU CD2 C 22.2 . 1 643 . 63 PRO CD C 50.4 . 1 644 . 63 PRO CA C 63.4 . 1 645 . 63 PRO HA H 4.27 . 1 646 . 63 PRO CB C 31.1 . 1 647 . 63 PRO HB2 H 1.89 . 2 648 . 63 PRO HB3 H 2.24 . 2 649 . 63 PRO CG C 27.4 . 1 650 . 63 PRO HG2 H 2.04 . 2 651 . 63 PRO HG3 H 2.19 . 2 652 . 63 PRO HD2 H 3.97 . 2 653 . 63 PRO HD3 H 3.61 . 2 654 . 63 PRO C C 176.9 . 1 655 . 64 GLY N N 112.5 . 1 656 . 64 GLY H H 8.49 . 1 657 . 64 GLY CA C 44.7 . 1 658 . 64 GLY HA2 H 4.09 . 2 659 . 64 GLY HA3 H 3.59 . 2 660 . 64 GLY C C 173.4 . 1 661 . 65 VAL N N 124.0 . 1 662 . 65 VAL H H 7.53 . 1 663 . 65 VAL CA C 62.9 . 1 664 . 65 VAL HA H 3.94 . 1 665 . 65 VAL CB C 30.5 . 1 666 . 65 VAL HB H 2.35 . 1 667 . 65 VAL HG1 H 0.69 . 2 668 . 65 VAL HG2 H 0.71 . 2 669 . 65 VAL CG1 C 20.1 . 1 670 . 65 VAL C C 174.6 . 1 671 . 66 GLY N N 112.5 . 1 672 . 66 GLY H H 7.43 . 1 673 . 66 GLY CA C 44.1 . 1 674 . 66 GLY HA2 H 4.07 . 2 675 . 66 GLY HA3 H 4.25 . 2 676 . 67 THR CA C 67.1 . 1 677 . 67 THR HA H 3.72 . 1 678 . 67 THR CB C 68.7 . 1 679 . 67 THR HB H 4.13 . 1 680 . 67 THR HG2 H 1.25 . 1 681 . 67 THR CG2 C 21.2 . 1 682 . 67 THR C C 177.3 . 1 683 . 68 LYS N N 121.0 . 1 684 . 68 LYS H H 8.17 . 1 685 . 68 LYS CA C 58.5 . 1 686 . 68 LYS HA H 4.22 . 1 687 . 68 LYS CB C 31.6 . 1 688 . 68 LYS HB2 H 1.94 . 1 689 . 68 LYS HB3 H 1.94 . 1 690 . 68 LYS C C 180.7 . 1 691 . 69 ILE N N 122.7 . 1 692 . 69 ILE H H 7.75 . 1 693 . 69 ILE CA C 65.0 . 1 694 . 69 ILE HA H 3.64 . 1 695 . 69 ILE CB C 36.3 . 1 696 . 69 ILE HB H 1.87 . 1 697 . 69 ILE HG2 H 0.82 . 1 698 . 69 ILE CG2 C 18.0 . 1 699 . 69 ILE CG1 C 29.5 . 1 700 . 69 ILE HG12 H 0.97 . 2 701 . 69 ILE HG13 H 1.67 . 2 702 . 69 ILE HD1 H 0.71 . 1 703 . 69 ILE CD1 C 13.3 . 1 704 . 69 ILE C C 180.2 . 1 705 . 70 ALA N N 125.7 . 1 706 . 70 ALA H H 8.11 . 1 707 . 70 ALA CA C 55.6 . 1 708 . 70 ALA HA H 3.80 . 1 709 . 70 ALA HB H 1.38 . 1 710 . 70 ALA CB C 17.5 . 1 711 . 70 ALA C C 178.6 . 1 712 . 71 GLU N N 120.2 . 1 713 . 71 GLU H H 7.89 . 1 714 . 71 GLU CA C 59.3 . 1 715 . 71 GLU HA H 4.16 . 1 716 . 71 GLU CB C 29.0 . 1 717 . 71 GLU HB2 H 2.13 . 2 718 . 71 GLU HB3 H 2.26 . 2 719 . 71 GLU CG C 36.3 . 1 720 . 71 GLU HG2 H 2.56 . 1 721 . 71 GLU HG3 H 2.56 . 1 722 . 71 GLU C C 180.2 . 1 723 . 72 LYS N N 122.3 . 1 724 . 72 LYS H H 7.48 . 1 725 . 72 LYS CA C 56.7 . 1 726 . 72 LYS HA H 4.20 . 1 727 . 72 LYS CB C 32.1 . 1 728 . 72 LYS HB2 H 1.77 . 1 729 . 72 LYS HB3 H 1.77 . 1 730 . 72 LYS HG2 H 1.61 . 1 731 . 72 LYS HG3 H 1.61 . 1 732 . 72 LYS HE2 H 3.01 . 1 733 . 72 LYS HE3 H 3.01 . 1 734 . 72 LYS C C 180.0 . 1 735 . 73 ILE N N 123.6 . 1 736 . 73 ILE H H 8.17 . 1 737 . 73 ILE CA C 66.6 . 1 738 . 73 ILE HA H 3.50 . 1 739 . 73 ILE CB C 37.3 . 1 740 . 73 ILE HB H 2.09 . 1 741 . 73 ILE HG2 H 0.80 . 1 742 . 73 ILE CG2 C 16.0 . 1 743 . 73 ILE CG1 C 29.5 . 1 744 . 73 ILE HG12 H 1.91 . 1 745 . 73 ILE HG13 H 1.91 . 1 746 . 73 ILE HD1 H 0.69 . 1 747 . 73 ILE CD1 C 13.9 . 1 748 . 73 ILE C C 177.2 . 1 749 . 74 ASP N N 123.1 . 1 750 . 74 ASP H H 8.28 . 1 751 . 74 ASP CA C 58.2 . 1 752 . 74 ASP HA H 4.55 . 1 753 . 74 ASP HB2 H 2.77 . 1 754 . 74 ASP HB3 H 2.77 . 1 755 . 74 ASP C C 179.5 . 1 756 . 75 GLU N N 123.6 . 1 757 . 75 GLU H H 7.98 . 1 758 . 75 GLU CA C 58.7 . 1 759 . 75 GLU HA H 4.12 . 1 760 . 75 GLU HB2 H 2.19 . 2 761 . 75 GLU HB3 H 2.24 . 2 762 . 75 GLU CG C 35.8 . 1 763 . 75 GLU HG2 H 2.45 . 1 764 . 75 GLU HG3 H 2.45 . 1 765 . 75 GLU C C 179.5 . 1 766 . 76 PHE N N 124.8 . 1 767 . 76 PHE H H 8.26 . 1 768 . 76 PHE CA C 60.3 . 1 769 . 76 PHE HA H 4.34 . 1 770 . 76 PHE CB C 39.4 . 1 771 . 76 PHE HB2 H 3.17 . 2 772 . 76 PHE HB3 H 3.33 . 2 773 . 76 PHE HD1 H 7.01 . 1 774 . 76 PHE HD2 H 7.01 . 1 775 . 76 PHE HE1 H 7.24 . 1 776 . 76 PHE HE2 H 7.24 . 1 777 . 76 PHE HZ H 7.18 . 1 778 . 76 PHE C C 178.9 . 1 779 . 77 LEU N N 123.1 . 1 780 . 77 LEU H H 8.75 . 1 781 . 77 LEU CA C 56.7 . 1 782 . 77 LEU HA H 3.86 . 1 783 . 77 LEU CB C 42.0 . 1 784 . 77 LEU HB2 H 1.44 . 2 785 . 77 LEU HB3 H 1.97 . 2 786 . 77 LEU CG C 28.0 . 1 787 . 77 LEU HG H 1.49 . 1 788 . 77 LEU HD1 H 0.92 . 2 789 . 77 LEU HD2 H 0.72 . 2 790 . 77 LEU CD1 C 25.3 . 1 791 . 77 LEU CD2 C 21.7 . 1 792 . 77 LEU C C 179.0 . 1 793 . 78 ALA N N 123.6 . 1 794 . 78 ALA H H 7.91 . 1 795 . 78 ALA CA C 54.0 . 1 796 . 78 ALA HA H 4.25 . 1 797 . 78 ALA HB H 1.54 . 1 798 . 78 ALA CB C 18.6 . 1 799 . 78 ALA C C 179.1 . 1 800 . 79 THR N N 111.7 . 1 801 . 79 THR H H 7.84 . 1 802 . 79 THR CA C 62.9 . 1 803 . 79 THR HA H 4.33 . 1 804 . 79 THR CB C 67.9 . 1 805 . 79 THR HB H 4.28 . 1 806 . 79 THR HG2 H 1.28 . 1 807 . 79 THR CG2 C 20.6 . 1 808 . 79 THR C C 175.7 . 1 809 . 80 GLY N N 114.2 . 1 810 . 80 GLY H H 8.18 . 1 811 . 80 GLY CA C 45.2 . 1 812 . 80 GLY HA2 H 3.57 . 2 813 . 80 GLY HA3 H 3.89 . 2 814 . 80 GLY C C 173.0 . 1 815 . 81 LYS N N 122.3 . 1 816 . 81 LYS H H 7.86 . 1 817 . 81 LYS CA C 55.6 . 1 818 . 81 LYS HA H 4.36 . 1 819 . 81 LYS CB C 33.7 . 1 820 . 81 LYS HB2 H 1.68 . 2 821 . 81 LYS HB3 H 1.80 . 2 822 . 81 LYS CG C 23.8 . 1 823 . 81 LYS HG2 H 1.33 . 1 824 . 81 LYS HG3 H 1.33 . 1 825 . 81 LYS CD C 29.0 . 1 826 . 81 LYS HD2 H 1.63 . 1 827 . 81 LYS HD3 H 1.63 . 1 828 . 81 LYS HE2 H 3.01 . 1 829 . 81 LYS HE3 H 3.01 . 1 830 . 81 LYS C C 175.2 . 1 831 . 82 LEU N N 123.6 . 1 832 . 82 LEU H H 8.05 . 1 833 . 82 LEU CA C 54.0 . 1 834 . 82 LEU HA H 4.42 . 1 835 . 82 LEU CB C 42.6 . 1 836 . 82 LEU HB2 H 1.61 . 1 837 . 82 LEU HB3 H 1.61 . 1 838 . 82 LEU CG C 27.4 . 1 839 . 82 LEU HG H 1.58 . 1 840 . 82 LEU HD1 H 0.91 . 2 841 . 82 LEU HD2 H 0.86 . 2 842 . 82 LEU CD1 C 24.8 . 1 843 . 82 LEU CD2 C 22.7 . 1 844 . 82 LEU C C 177.7 . 1 845 . 83 ARG N N 125.7 . 1 846 . 83 ARG H H 8.33 . 1 847 . 83 ARG CA C 56.1 . 1 848 . 83 ARG HA H 4.25 . 1 849 . 83 ARG CB C 30.6 . 1 850 . 83 ARG HB2 H 1.77 . 1 851 . 83 ARG HB3 H 1.77 . 1 852 . 83 ARG CG C 26.9 . 1 853 . 83 ARG HG2 H 1.60 . 1 854 . 83 ARG HG3 H 1.60 . 1 855 . 83 ARG CD C 43.1 . 1 856 . 83 ARG HD2 H 3.20 . 1 857 . 83 ARG HD3 H 3.20 . 1 858 . 83 ARG C C 176.6 . 1 859 . 84 LYS N N 125.7 . 1 860 . 84 LYS H H 8.28 . 1 861 . 84 LYS CA C 55.8 . 1 862 . 84 LYS HA H 4.24 . 1 863 . 84 LYS CB C 32.6 . 1 864 . 84 LYS HB2 H 1.69 . 1 865 . 84 LYS HB3 H 1.69 . 1 866 . 84 LYS HG2 H 1.36 . 1 867 . 84 LYS HG3 H 1.36 . 1 868 . 84 LYS C C 176.5 . 1 869 . 85 LEU N N 126.5 . 1 870 . 85 LEU H H 8.14 . 1 871 . 85 LEU CA C 55.1 . 1 872 . 85 LEU HA H 3.98 . 1 873 . 85 LEU HB2 H 1.88 . 1 874 . 85 LEU HB3 H 1.88 . 1 875 . 85 LEU CG C 26.9 . 1 876 . 85 LEU HG H 1.58 . 1 877 . 85 LEU HD1 H 0.81 . 2 878 . 85 LEU HD2 H 0.89 . 2 879 . 85 LEU CD1 C 22.2 . 1 880 . 85 LEU CD2 C 24.8 . 1 881 . 85 LEU C C 176.7 . 1 882 . 86 GLU N N 124.4 . 1 883 . 86 GLU H H 8.25 . 1 884 . 86 GLU CA C 56.1 . 1 885 . 86 GLU HA H 4.31 . 1 886 . 86 GLU CB C 29.5 . 1 887 . 86 GLU HB2 H 2.09 . 2 888 . 86 GLU HB3 H 1.88 . 2 889 . 86 GLU CG C 35.3 . 1 890 . 86 GLU HG2 H 2.22 . 1 891 . 86 GLU HG3 H 2.22 . 1 892 . 87 LYS N N 127.8 . 1 893 . 87 LYS H H 8.01 . 1 stop_ save_