data_17201 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignment of the little finger domain of Y-family DNA polymerase Dpo4 ; _BMRB_accession_number 17201 _BMRB_flat_file_name bmr17201.str _Entry_type original _Submission_date 2010-09-22 _Accession_date 2010-09-22 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'The last 8 residues in the sequence are an affinity tag (for the purpose of protein purification)' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ma Dejian . . 2 Fowler Jason . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 118 "13C chemical shifts" 200 "15N chemical shifts" 118 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-16 update BMRB 'update entry citation' 2011-08-03 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 16869 'catalytic core of Dpo4' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone assignment of the little finger domain of a Y-family DNA polymerase.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21337030 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ma Dejian . . 2 Fowler Jason D. . 3 Suo Zucai . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 5 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 195 _Page_last 198 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'little finger domain of Dpo4' _Enzyme_commission_number 'EC 2.7.7.7' loop_ _Mol_system_component_name _Mol_label 'little finger domain of Dpo4' $Dpo4 stop_ _System_molecular_weight 27957.5 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Dpo4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Dpo4 _Molecular_mass 27957.5 _Mol_thiol_state 'all free' loop_ _Biological_function 'DNA Repair Enzyme' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 131 _Mol_residue_sequence ; MDEYNEPIRTRVRKSIGRIV TMKRNSRNLEEIKPYLFRAI EESYYKLDKRIPKAIHVVAV TEDLDIVSRGRTFPHGISKE TAYSESVKLLQKILEEDERK IRRIGVRFSKFIEAIGLDKF FDTLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 230 MET 2 231 ASP 3 232 GLU 4 233 TYR 5 234 ASN 6 235 GLU 7 236 PRO 8 237 ILE 9 238 ARG 10 239 THR 11 240 ARG 12 241 VAL 13 242 ARG 14 243 LYS 15 244 SER 16 245 ILE 17 246 GLY 18 247 ARG 19 248 ILE 20 249 VAL 21 250 THR 22 251 MET 23 252 LYS 24 253 ARG 25 254 ASN 26 255 SER 27 256 ARG 28 257 ASN 29 258 LEU 30 259 GLU 31 260 GLU 32 261 ILE 33 262 LYS 34 263 PRO 35 264 TYR 36 265 LEU 37 266 PHE 38 267 ARG 39 268 ALA 40 269 ILE 41 270 GLU 42 271 GLU 43 272 SER 44 273 TYR 45 274 TYR 46 275 LYS 47 276 LEU 48 277 ASP 49 278 LYS 50 279 ARG 51 280 ILE 52 281 PRO 53 282 LYS 54 283 ALA 55 284 ILE 56 285 HIS 57 286 VAL 58 287 VAL 59 288 ALA 60 289 VAL 61 290 THR 62 291 GLU 63 292 ASP 64 293 LEU 65 294 ASP 66 295 ILE 67 296 VAL 68 297 SER 69 298 ARG 70 299 GLY 71 300 ARG 72 301 THR 73 302 PHE 74 303 PRO 75 304 HIS 76 305 GLY 77 306 ILE 78 307 SER 79 308 LYS 80 309 GLU 81 310 THR 82 311 ALA 83 312 TYR 84 313 SER 85 314 GLU 86 315 SER 87 316 VAL 88 317 LYS 89 318 LEU 90 319 LEU 91 320 GLN 92 321 LYS 93 322 ILE 94 323 LEU 95 324 GLU 96 325 GLU 97 326 ASP 98 327 GLU 99 328 ARG 100 329 LYS 101 330 ILE 102 331 ARG 103 332 ARG 104 333 ILE 105 334 GLY 106 335 VAL 107 336 ARG 108 337 PHE 109 338 SER 110 339 LYS 111 340 PHE 112 341 ILE 113 342 GLU 114 343 ALA 115 344 ILE 116 345 GLY 117 346 LEU 118 347 ASP 119 348 LYS 120 349 PHE 121 350 PHE 122 351 ASP 123 352 THR 124 353 LEU 125 354 GLU 126 355 HIS 127 356 HIS 128 357 HIS 129 358 HIS 130 359 HIS 131 360 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-18 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 PDB 1JX4 "Crystal Structure Of A Y-Family Dna Polymerase In A Ternary Complex With Dna Substrates And An Incoming Nucleotide" 93.13 352 99.18 99.18 1.71e-76 PDB 1JXL "Crystal Structure Of A Y-Family Dna Polymerase In A Ternary Complex With Dna Substrates And An Incoming Nucleotide" 93.13 352 100.00 100.00 7.61e-78 PDB 1N48 "Y-Family Dna Polymerase Dpo4 In Complex With Dna Containing Abasic Lesion" 93.13 352 100.00 100.00 7.61e-78 PDB 1N56 "Y-Family Dna Polymerase Dpo4 In Complex With Dna Containing Abasic Lesion" 93.13 352 100.00 100.00 7.61e-78 PDB 1RYR "Replication Of A Cis-Syn Thymine Dimer At Atomic Resolution" 93.13 352 100.00 100.00 7.61e-78 PDB 1RYS "Replication Of A Cis-Syn Thymine Dimer At Atomic Resolution" 93.13 352 100.00 100.00 7.61e-78 PDB 1S0M "Crystal Structure Of A Benzo[a]pyrene Diol Epoxide Adduct In A Ternary Complex With A Dna Polymerase" 93.13 352 100.00 100.00 7.61e-78 PDB 1S0N "Snapshots Of Replication Through An Abasic Lesion: Structural Basis For Base Substitution And Frameshift" 93.13 352 100.00 100.00 7.61e-78 PDB 1S0O "Snapshots Of Replication Through An Abasic Lesion: Structural Basis For Base Substitution And Frameshift" 93.13 352 100.00 100.00 7.61e-78 PDB 1S10 "Snapshots Of Replication Through An Abasic Lesion: Structural Basis For Base Substitution And Frameshift" 93.13 352 100.00 100.00 7.61e-78 PDB 1S97 "Dpo4 With Gt Mismatch" 93.13 352 100.00 100.00 7.61e-78 PDB 1S9F "Dpo With At Matched" 93.13 352 100.00 100.00 7.61e-78 PDB 2AGO "Fidelity Of Dpo4: Effect Of Metal Ions, Nucleotide Selection And Pyrophosphorolysis" 84.73 341 100.00 100.00 8.26e-69 PDB 2AGP "Fidelity Of Dpo4: Effect Of Metal Ions, Nucleotide Selection And Pyrophosphorolysis" 84.73 341 100.00 100.00 8.26e-69 PDB 2AGQ "Fidelity Of Dpo4: Effect Of Metal Ions, Nucleotide Selection And Pyrophosphorolysis" 84.73 341 100.00 100.00 8.26e-69 PDB 2ASD "Oxog-Modified Insertion Ternary Complex" 93.13 360 100.00 100.00 1.79e-77 PDB 2ASJ "Oxog-Modified Preinsertion Binary Complex" 93.13 360 100.00 100.00 1.79e-77 PDB 2ASL "Oxog-Modified Postinsertion Binary Complex" 93.13 360 100.00 100.00 1.79e-77 PDB 2ATL "Unmodified Insertion Ternary Complex" 93.13 360 100.00 100.00 1.79e-77 PDB 2AU0 "Unmodified Preinsertion Binary Complex" 93.13 360 100.00 100.00 1.79e-77 PDB 2BQ3 "Dna Adduct Bypass Polymerization By Sulfolobus Solfataricus Dpo4. Analysis And Crystal Structures Of Multiple Base- Pair Substi" 93.13 358 100.00 100.00 3.45e-77 PDB 2BQR "Dna Adduct Bypass Polymerization By Sulfolobus Solfataricus Dpo4. Analysis And Crystal Structures Of Multiple Base- Pair Substi" 93.13 358 100.00 100.00 3.45e-77 PDB 2BQU "Dna Adduct Bypass Polymerization By Sulfolobus Solfataricus Dpo4. Analysis And Crystal Structures Of Multiple Base- Pair Substi" 93.13 358 100.00 100.00 3.45e-77 PDB 2BR0 "Dna Adduct Bypass Polymerization By Sulfolobus Solfataricus Dpo4. Analysis And Crystal Structures Of Multiple Base- Pair Substi" 93.13 358 100.00 100.00 3.45e-77 PDB 2C22 "Efficient And High Fidelity Incorporation Of Dctp Opposite 7,8-Dihydro-8-Oxodeoxyguanosine By Sulfolobus Solfataricus Dna Polym" 93.13 358 100.00 100.00 3.45e-77 PDB 2C28 "Efficient And High Fidelity Incorporation Of Dctp Opposite 7,8-Dihydro-8-Oxodeoxyguanosine By Sulfolobus Solfataricus Dna Polym" 93.13 358 100.00 100.00 3.45e-77 PDB 2C2D "Efficient And High Fidelity Incorporation Of Dctp Opposite 7,8-dihydro-8-oxodeoxyguanosine By Sulfolobus Solfataricus Dna Polym" 93.13 358 100.00 100.00 3.45e-77 PDB 2C2E "Efficient And High Fidelity Incorporation Of Dctp Opposite 7,8-Dihydro-8-Oxodeoxyguanosine By Sulfolobus Solfataricus Dna Polym" 93.13 358 100.00 100.00 3.45e-77 PDB 2C2R "Efficient And High Fidelity Incorporation Of Dctp Opposite 7,8-Dihydro-8-Oxodeoxyguanosine By Sulfolobus Solfataricus Dna Polym" 93.13 358 100.00 100.00 3.45e-77 PDB 2IA6 "Bypass Of Major Benzopyrene-Dg Adduct By Y-Family Dna Polymerase With Unique Structural Gap" 93.13 352 100.00 100.00 7.61e-78 PDB 2IBK "Bypass Of Major Benzopyrene-Dg Adduct By Y-Family Dna Polymerase With Unique Structural Gap" 93.13 352 100.00 100.00 7.61e-78 PDB 2IMW "Mechanism Of Template-Independent Nucleotide Incorporation Catalyzed By A Template-Dependent Dna Polymerase" 90.08 348 100.00 100.00 4.12e-74 PDB 2J6S "Ternary Complex Of Sulfolobus Solfataricus Dpo4 Dna Polymerase, O6-Methylguanine Modified Dna, And Datp." 93.13 358 100.00 100.00 3.45e-77 PDB 2J6T "Ternary Complex Of Sulfolobus Solfataricus Dpo4 Dna Polymerase, O6-Methylguanine Modified Dna, And Datp." 93.13 358 100.00 100.00 3.45e-77 PDB 2J6U "Ternary Complex Of Sulfolobus Solfataricus Dpo4 Dna Polymerase, O6-methylguanine Modified Dna, And Dgtp." 93.13 358 100.00 100.00 3.45e-77 PDB 2JEF "The Molecular Basis Of Selectivity Of Nucleotide Triphosphate Incorporation Opposite O6-benzylguanine By Sulfolobus Solfataricu" 93.13 358 100.00 100.00 3.45e-77 PDB 2JEG "The Molecular Basis Of Selectivity Of Nucleoside Triphosphate Incorporation Opposite O6-Benzylguanine By Sulfolobus Solfataricu" 93.13 358 100.00 100.00 3.45e-77 PDB 2JEI "The Molecular Basis Of Selectivity Of Nucleoside Triphosphate Incorporation Opposite O6-benzylguanine By Sulfolobus Solfataricu" 93.13 358 100.00 100.00 3.45e-77 PDB 2JEJ "The Molecular Basis Of Selectivity Of Nucleoside Triphosphate Incorporation Opposite O6-Benzylguanine By Sulfolobus Solfataricu" 93.13 358 100.00 100.00 3.45e-77 PDB 2R8G "Selectivity Of Nucleoside Triphosphate Incorporation Opposite 1,N2-Propanodeoxyguanosine (Pdg) By The Sulfolobus Solfataricus D" 93.13 352 100.00 100.00 7.61e-78 PDB 2R8H "Selectivity Of Nucleoside Triphosphate Incorporation Opposite 1,N2- Propanodeoxyguanosine (Pdg) By The Sulfolobus Solfataricus " 93.13 352 100.00 100.00 7.61e-78 PDB 2R8I "Selectivity Of Nucleoside Triphosphate Incorporation Opposite 1,N2-Propanodeoxyguanosine (Pdg) By The Sulfolobus Solfataricus D" 93.13 352 100.00 100.00 7.61e-78 PDB 2RDI "Snapshots Of A Y-family Dna Polymerase In Replication: Dpo4 In Apo And Binary/ternary Complex Forms" 84.73 342 100.00 100.00 8.04e-69 PDB 2RDJ "Snapshots Of A Y-family Dna Polymerase In Replication: Dpo4 In Apo And Binary/ternary Complex Forms" 93.13 352 100.00 100.00 7.61e-78 PDB 2UVR "Crystal Structures Of Mutant Dpo4 Dna Polymerases With 8- Oxog Containing Dna Template-Primer Constructs" 93.13 358 99.18 99.18 2.52e-76 PDB 2UVU "Crystal Structures Of Mutant Dpo4 Dna Polymerases With 8- Oxog Containing Dna Template-Primer Constructs" 93.13 358 99.18 99.18 2.52e-76 PDB 2UVV "Crystal Structures Of Mutant Dpo4 Dna Polymerases With 8- Oxog Containing Dna Template-Primer Constructs" 93.13 358 99.18 99.18 2.17e-76 PDB 2UVW "Crystal Structures Of Mutant Dpo4 Dna Polymerases With 8- Oxog Containing Dna Template-Primer Constructs" 93.13 358 99.18 99.18 2.17e-76 PDB 2V4Q "Post-Insertion Complex Of The Y-Family Dna Polymerase Dpo4 With M1dg Containing Template Dna" 93.13 358 100.00 100.00 3.45e-77 PDB 2V4R "Non-Productive Complex Of The Y-Family Dna Polymerase Dpo4 With Dgtp Skipping The M1dg Adduct To Pair With The Next Template Cy" 93.13 358 100.00 100.00 3.45e-77 PDB 2V9W "Complex Structure Of Sulfolobus Solfataricus Dpo4 And Dna Duplex Containing A Hydrophobic Thymine Isostere 2,4- Difluorotoluene" 93.13 358 100.00 100.00 3.45e-77 PDB 2VA2 "Complex Structure Of Sulfolobus Solfataricus Dpo4 And Dna Duplex Containing A Hydrophobic Thymine Isostere 2,4- Difluorotoluene" 93.13 358 100.00 100.00 3.45e-77 PDB 2VA3 "Complex Structure Of Sulfolobus Solfataricus Dpo4 And Dna Duplex Containing A Hydrophobic Thymine Isostere 2,4- Difluorotoluene" 93.13 358 100.00 100.00 3.45e-77 PDB 2W8K "Y-Family Dna Polymerase Dpo4 Bypassing N2-Naphthyl-Guanine Adduct In Syn Orientation" 93.13 358 100.00 100.00 3.45e-77 PDB 2W8L "Y-Family Dna Polymerase Dpo4 Bypassing N2-Naphthyl-Guanine Adduct In Anti Orientation" 93.13 358 100.00 100.00 3.45e-77 PDB 2W9A "Ternary Complex Of Dpo4 Bound To N2,N2-Dimethyl- Deoxyguanosine Modified Dna With Incoming Dgtp" 93.13 358 100.00 100.00 3.45e-77 PDB 2W9B "Binary Complex Of Dpo4 Bound To N2,N2-Dimethyl- Deoxyguanosine Modified Dna" 93.13 358 100.00 100.00 3.45e-77 PDB 2W9C "Ternary Complex Of Dpo4 Bound To N2,N2-Dimethyl- Deoxyguanosine Modified Dna With Incoming Dttp" 93.13 358 100.00 100.00 3.45e-77 PDB 2XC9 "Binary Complex Of Sulfolobus Solfataricus Dpo4 Dna Polymerase And 1,N2-Ethenoguanine Modified Dna, Magnesium Form" 93.13 358 100.00 100.00 3.45e-77 PDB 2XCA "Ternary Complex Of Sulfolobus Solfataricus Dpo4 Dna Polymerase, 7,8-Dihydro-8-Oxodeoxyguanine Modified Dna And Dgtp - Magnesium" 93.13 358 100.00 100.00 3.45e-77 PDB 2XCP "Ternary Complex Of Sulfolobus Solfataricus Dpo4 Dna Polymerase, 7,8-Dihydro-8-Oxodeoxyguanine Modified Dna And Dctp - Magnesium" 93.13 358 100.00 100.00 3.45e-77 PDB 3FDS "Structural Insight Into Recruitment Of Translesion Dna Polymerase Dpo4 To Sliding Clamp Pcna" 93.13 352 100.00 100.00 7.61e-78 PDB 3GII "Dpo4 Extension Ternary Complex With Disordered A Opposite An Oxog In Anti Conformation" 84.73 341 100.00 100.00 9.10e-69 PDB 3GIJ "Dpo4 Extension Ternary Complex With Oxog(Syn)-A(Anti) And Oxog(Anti)- A(Syn) Pairs" 84.73 341 100.00 100.00 9.10e-69 PDB 3GIK "Dpo4 Extension Ternary Complex With The Oxog(Anti)-C(Anti) Pair" 84.73 341 100.00 100.00 9.10e-69 PDB 3GIL "Dpo4 Extension Ternary Complex With Oxog(Anti)-T(Anti) Pair" 84.73 341 100.00 100.00 9.10e-69 PDB 3GIM "Dpo4 Extension Ternary Complex With Oxog(Anti)-G(Syn) Pair" 84.73 341 100.00 100.00 9.10e-69 PDB 3KHG "Dpo4 Extension Ternary Complex With Misinserted A Opposite The 2- Aminofluorene-Guanine [af]g Lesion" 84.73 341 100.00 100.00 9.10e-69 PDB 3KHH "Dpo4 Extension Ternary Complex With A C Base Opposite The 2- Aminofluorene-Guanine [af]g Lesion" 84.73 341 100.00 100.00 9.10e-69 PDB 3KHL "Dpo4 Post-Extension Ternary Complex With Misinserted A Opposite The 2- Aminofluorene-Guanine [af]g Lesion" 84.73 341 100.00 100.00 9.10e-69 PDB 3KHR "Dpo4 Post-Extension Ternary Complex With The Correct C Opposite The 2- Aminofluorene-Guanine [af]g Lesion" 84.73 341 100.00 100.00 9.10e-69 PDB 3M9M "Crystal Structure Of Dpo4 In Complex With Dna Containing The Major Cisplatin Lesion" 93.13 352 100.00 100.00 7.61e-78 PDB 3M9N "Crystal Structure Of Dpo4 In Complex With Dna Containing The Major Cisplatin Lesion" 93.13 352 100.00 100.00 7.61e-78 PDB 3M9O "Crystal Structure Of Dpo4 In Complex With Dna Containing The Major Cisplatin Lesion" 93.13 352 100.00 100.00 7.61e-78 PDB 3PR4 "Dpo4 Y12a Mutant Incorporating Dadp Opposite Template Dt" 84.73 341 100.00 100.00 6.87e-69 PDB 3PR5 "Dpo4 Y12a Mutant Incorporating Adp Opposite Template Dt" 84.73 341 100.00 100.00 6.87e-69 PDB 3PVX "Binary Complex Of Aflatoxin B1 Adduct Modified Dna (Afb1-Fapy) With Dna Polymerase Iv" 84.73 347 100.00 100.00 2.63e-68 PDB 3PW0 "Ternary Complex Of Aflatoxin B1 Adduct Modified Dna (Afb1-Fapy) With Dna Polymerase Iv And Incoming Datp" 84.73 347 100.00 100.00 2.63e-68 PDB 3PW2 "Ternary Complex Of Aflatoxin B1 Adduct Modified Dna (Afb1-Fapy) With Dna Polymerase Iv And Incoming Dttp" 84.73 347 100.00 100.00 2.63e-68 PDB 3PW4 "Ternary Complex Of Aflatoxin B1 Adduct Modified Dna (Afb1-N7-Gua) With Dna Polymerase Iv And Incoming Datp" 84.73 347 100.00 100.00 2.63e-68 PDB 3PW5 "Ternary Complex Of Aflatoxin B1 Adduct Modified Dna (Afb1-N7-Gua) With Dna Polymerase Iv And Incoming Dttp" 84.73 347 100.00 100.00 2.63e-68 PDB 3PW7 "Ternary Complex Of Aflatoxin B1 Adduct Modified Dna (Afb1-N7-Gua) With Dna Polymerase Iv And Incoming Dctp" 84.73 347 100.00 100.00 2.63e-68 PDB 3QZ7 "T-3 Ternary Complex Of Dpo4" 99.24 360 98.46 98.46 5.65e-83 PDB 3QZ8 "Tt-4 Ternary Complex Of Dpo4" 99.24 360 98.46 98.46 5.65e-83 PDB 3RAQ "Dpo4 Extension Ternary Complex With 3'-terminal Primer C Base Opposite The 1-methylguanine (mg1) Lesion" 84.73 341 100.00 100.00 9.10e-69 PDB 3RAX "Dpo4 Extension Ternary Complex With 3'-terminal Primer T Base Opposite The 1-methylguanine (m1g) Lesion" 84.73 341 100.00 100.00 9.10e-69 PDB 3RB0 "Dpo4 Extension Ternary Complex With 3'-terminal Primer G Base Opposite The 1-methylguanine (m1g) Lesion" 84.73 341 100.00 100.00 9.10e-69 PDB 3RB3 "Dpo4 Extension Ternary Complex With 3'-terminal Primer A Base Opposite The 1-methylguanine (m1g) Lesion" 84.73 341 100.00 100.00 9.10e-69 PDB 3RB4 "Dpo4 Extension Ternary Complex With 3'-terminal Primer G Base Opposite The 3-methylcytosine (m3c) Lesion" 84.73 341 100.00 100.00 9.10e-69 PDB 3RB6 "Dpo4 Extension Ternary Complex With 3'-terminal Primer A Base Opposite The 3-methylcytosine (m3c) Lesion" 84.73 341 100.00 100.00 9.10e-69 PDB 3RBD "Dpo4 Extension Ternary Complex With 3'-terminal Primer C Base Opposite The 3-methylcytosine (m3c) Lesion" 84.73 341 100.00 100.00 9.10e-69 PDB 3RBE "Dpo4 Extension Ternary Complex With 3'-terminal Primer T Base Opposite The 3-methylcytosine (m3c) Lesion" 84.73 341 100.00 100.00 9.10e-69 PDB 3T5H "Ternary Complex Of Hne Adduct Modified Dna (5'-Cxg-3' Vs 13-Mer) With Dpo4 And Incoming Ddgt" 84.73 341 100.00 100.00 8.26e-69 PDB 3T5J "Ternary Complex Of Hne Adduct Modified Dna (5'-Txg-3' Vs 13-Mer) With Dpo4 And Incoming Ddtp" 84.73 341 100.00 100.00 8.26e-69 PDB 3T5K "Ternary Complex Of Hne Adduct Modified Dna (5'-Txg-3' Vs 14-Mer) With Dpo4 And Incoming Ddtp" 84.73 341 100.00 100.00 8.26e-69 PDB 3T5L "Ternary Complex Of Hne Adduct Modified Dna (5'-Cxg-3' Vs 14-Mer) With Dpo4 And Incoming Ddgt" 84.73 341 100.00 100.00 8.26e-69 PDB 3V6H "Replication Of N2,3-Ethenoguanine By Dna Polymerases" 85.50 348 100.00 100.00 5.47e-69 PDB 3V6J "Replication Of N2,3-Ethenoguanine By Dna Polymerases" 85.50 348 100.00 100.00 5.47e-69 PDB 3V6K "Replication Of N2,3-Ethenoguanine By Dna Polymerases" 85.50 347 100.00 100.00 4.07e-69 PDB 4F4W "Y-family Dna Polymerase Chimera Dbh-dpo4-dpo4 #1" 99.24 361 98.46 98.46 4.12e-83 PDB 4F4X "Y-family Dna Polymerase Chimera Dbh-dpo4-dpo4 #2" 99.24 361 98.46 98.46 4.12e-83 PDB 4FBT "Dpo4 Post-insertion Complex With The N-(deoxyguanosin-8-yl)-1- Aminopyrene Lesion" 84.73 341 100.00 100.00 8.26e-69 PDB 4FBU "Dpo4 Polymerase Pre-insertion Binary Complex With The N- (deoxyguanosin-8-yl)-1-aminopyrene Lesion" 84.73 341 100.00 100.00 8.26e-69 PDB 4G3I "Crystal Structure Of Dpo4 In Complex With Dna Duplex" 84.73 342 100.00 100.00 7.96e-69 PDB 4GC6 "Crystal Structure Of Dpo4 In Complex With N-mc-damp Opposite Dt" 93.13 358 100.00 100.00 3.45e-77 PDB 4GC7 "Crystal Structure Of Dpo4 In Complex With S-mc-dadp Opposite Dt" 93.13 359 100.00 100.00 4.55e-77 PDB 4JUZ "Ternary Complex Of Gamma-ohpdg Adduct Modified Dna (zero Primer) With Dna Polymerase Iv And Incoming Dgtp" 84.73 347 100.00 100.00 2.63e-68 PDB 4JV0 "Ring-opening Of The -oh-pdg Adduct In Ternary Complexes With The Sulfolobus Solfataricus Dna Polymerase Dpo4" 84.73 347 100.00 100.00 2.63e-68 PDB 4JV1 "Ternary Complex Of Gamma-ohpdg Adduct Modified Dna With Dna (-1 Primer) Polymerase Iv And Incoming Dgtp" 84.73 347 100.00 100.00 2.63e-68 PDB 4JV2 "Ternary Complex Of Gamma-ohpdg Adduct Modified Dna With Dna (-1 Primer) Polymerase Iv And Incoming Datp" 84.73 347 100.00 100.00 2.63e-68 PDB 4QWB "Crystal Structure Of Dpo4 Linker Region P236a Mutant With An Incoming D-dcdp" 86.26 343 99.12 99.12 4.57e-69 PDB 4QWC "Ternary Crystal Structures Of A Y-family Dna Polymerase Dpo4 From Sulfolobus Solfataricus In Complex With Dna And L-dcdp" 86.26 343 100.00 100.00 2.62e-70 PDB 4RUA "Crystal Structure Of Y-family Dna Polymerase Dpo4 Bypassing A Mefapy- Dg Adduct" 84.73 341 100.00 100.00 8.26e-69 PDB 4RUC "Crystal Structure Of Y-family Dna Polymerase Dpo4 Extending From A Mefapy-dg:dc Pair" 84.73 341 100.00 100.00 8.26e-69 PDB 4RZR "Bypass Of A Bulky Adduct Dg1,8 By Dpo4" 93.13 352 100.00 100.00 7.61e-78 PDB 4TQR "Ternary Complex Of Y-family Dna Polymerase Dpo4 With (5's)-8,5'-cyclo- 2'-deoxyguanosine And Dttp" 85.50 342 100.00 100.00 1.94e-69 PDB 4TQS "Ternary Complex Of Y-family Dna Polymerase Dpo4 With (5's)-8,5'-cyclo- 2'-deoxyguanosine And Dctp" 93.13 358 100.00 100.00 3.45e-77 GB AAK42588 "DNA polymerase IV (family Y) (dpo4) [Sulfolobus solfataricus P2]" 93.13 352 100.00 100.00 7.61e-78 GB ABA03150 "chimeric Dpo4 [synthetic construct]" 93.13 353 100.00 100.00 2.80e-77 GB ACX90547 "DNA-directed DNA polymerase [Sulfolobus solfataricus 98/2]" 93.13 352 100.00 100.00 7.61e-78 GB AKA72680 "DNA polymerase IV [Sulfolobus solfataricus]" 93.13 352 100.00 100.00 7.61e-78 GB AKA75380 "DNA polymerase IV [Sulfolobus solfataricus]" 93.13 352 100.00 100.00 7.61e-78 REF WP_009993137 "DNA polymerase IV [Sulfolobus solfataricus]" 93.13 352 100.00 100.00 7.61e-78 SP Q97W02 "RecName: Full=DNA polymerase IV; Short=Pol IV" 93.13 352 100.00 100.00 7.61e-78 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $Dpo4 'Sulfolobus solfataricus' 2287 Archaea . Sulfolobus solfataricus P2 dinP stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $Dpo4 'recombinant technology' . Escherichia coli BL21(DE3) pET22b 'Vector contains the gene for Dpo4.' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Dpo4 0.4 mM . . '[U-100% 13C; U-100% 15N]' H2O 95 % . . 'natural abundance' D2O 5 % . . 'natural abundance' NaCl . mM 80 200 'natural abundance' 'phosphate buffer' 20 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'peak picking' processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_MARS _Saveframe_category software _Name MARS _Version . loop_ _Vendor _Address _Electronic_address 'Jung and Zweckstetter' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.2 . M pH 7.0 . pH pressure 1 . atm temperature 323 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label water C 13 protons ppm 4.51 internal indirect . . . 0.251449530 $entry_citation $entry_citation water H 1 protons ppm 4.51 internal direct . . . 1 $entry_citation $entry_citation water N 15 protons ppm 4.51 internal indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'little finger domain of Dpo4' _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 1 230 1 MET CB C 31.087 0.200 . 2 231 2 ASP H H 8.681 0.020 . 3 231 2 ASP CA C 52.389 0.200 . 4 231 2 ASP CB C 42.378 0.200 . 5 231 2 ASP N N 120.538 0.200 . 6 232 3 GLU H H 8.206 0.020 . 7 232 3 GLU CA C 57.678 0.200 . 8 232 3 GLU CB C 29.953 0.200 . 9 232 3 GLU N N 113.546 0.200 . 10 233 4 TYR H H 7.993 0.020 . 11 233 4 TYR CA C 58.794 0.200 . 12 233 4 TYR N N 114.090 0.200 . 13 234 5 ASN H H 7.969 0.020 . 14 234 5 ASN CA C 54.821 0.200 . 15 234 5 ASN CB C 38.509 0.200 . 16 234 5 ASN N N 118.549 0.200 . 17 235 6 GLU H H 7.999 0.020 . 18 235 6 GLU CA C 55.745 0.200 . 19 235 6 GLU N N 121.191 0.200 . 20 236 7 PRO CA C 66.589 0.200 . 21 236 7 PRO CB C 34.366 0.200 . 22 237 8 ILE H H 7.182 0.020 . 23 237 8 ILE CA C 61.367 0.200 . 24 237 8 ILE CB C 40.064 0.200 . 25 237 8 ILE N N 115.251 0.200 . 26 238 9 ARG H H 8.633 0.020 . 27 238 9 ARG CA C 54.449 0.200 . 28 238 9 ARG CB C 35.544 0.200 . 29 238 9 ARG N N 125.071 0.200 . 30 239 10 THR H H 8.131 0.020 . 31 239 10 THR CA C 61.640 0.200 . 32 239 10 THR CB C 70.209 0.200 . 33 239 10 THR N N 115.825 0.200 . 34 240 11 ARG H H 7.815 0.020 . 35 240 11 ARG CA C 58.246 0.200 . 36 240 11 ARG N N 127.720 0.200 . 37 241 12 VAL H H 8.942 0.020 . 38 241 12 VAL CA C 62.769 0.200 . 39 241 12 VAL CB C 31.912 0.200 . 40 241 12 VAL N N 118.697 0.200 . 41 242 13 ARG H H 8.707 0.020 . 42 242 13 ARG CA C 57.614 0.200 . 43 242 13 ARG N N 122.911 0.200 . 44 243 14 LYS H H 8.460 0.020 . 45 243 14 LYS CA C 55.655 0.200 . 46 243 14 LYS CB C 33.503 0.200 . 47 243 14 LYS N N 123.064 0.200 . 48 244 15 SER H H 8.779 0.020 . 49 244 15 SER CA C 58.028 0.200 . 50 244 15 SER CB C 64.448 0.200 . 51 244 15 SER N N 117.549 0.200 . 52 245 16 ILE H H 7.765 0.020 . 53 245 16 ILE CA C 57.681 0.200 . 54 245 16 ILE N N 127.589 0.200 . 55 246 17 GLY H H 8.604 0.020 . 56 246 17 GLY CA C 47.680 0.200 . 57 246 17 GLY N N 105.768 0.200 . 58 247 18 ARG H H 8.331 0.020 . 59 247 18 ARG CA C 55.845 0.200 . 60 247 18 ARG N N 117.487 0.200 . 61 248 19 ILE H H 8.767 0.020 . 62 248 19 ILE CA C 62.366 0.200 . 63 248 19 ILE CB C 38.540 0.200 . 64 248 19 ILE N N 123.023 0.200 . 65 249 20 VAL H H 7.466 0.020 . 66 249 20 VAL CA C 61.918 0.200 . 67 249 20 VAL CB C 32.550 0.200 . 68 249 20 VAL N N 111.957 0.200 . 69 250 21 THR H H 7.945 0.020 . 70 250 21 THR CA C 56.854 0.200 . 71 250 21 THR CB C 70.556 0.200 . 72 250 21 THR N N 116.928 0.200 . 73 251 22 MET H H 9.422 0.020 . 74 251 22 MET CA C 55.881 0.200 . 75 251 22 MET N N 126.142 0.200 . 76 252 23 LYS H H 9.565 0.020 . 77 252 23 LYS CA C 55.865 0.200 . 78 252 23 LYS N N 121.073 0.200 . 79 253 24 ARG H H 8.445 0.020 . 80 253 24 ARG CA C 57.332 0.200 . 81 253 24 ARG CB C 30.875 0.200 . 82 253 24 ARG N N 120.121 0.200 . 83 254 25 ASN H H 8.313 0.020 . 84 254 25 ASN CA C 53.885 0.200 . 85 254 25 ASN N N 123.914 0.200 . 86 255 26 SER H H 7.855 0.020 . 87 255 26 SER CA C 58.213 0.200 . 88 255 26 SER CB C 63.350 0.200 . 89 255 26 SER N N 117.003 0.200 . 90 256 27 ARG H H 7.666 0.020 . 91 256 27 ARG CA C 57.092 0.200 . 92 256 27 ARG CB C 30.047 0.200 . 93 256 27 ARG N N 116.243 0.200 . 94 257 28 ASN H H 7.797 0.020 . 95 257 28 ASN CA C 53.420 0.200 . 96 257 28 ASN CB C 37.027 0.200 . 97 257 28 ASN N N 115.792 0.200 . 98 258 29 LEU H H 8.983 0.020 . 99 258 29 LEU CA C 59.943 0.200 . 100 258 29 LEU CB C 43.160 0.200 . 101 258 29 LEU N N 121.596 0.200 . 102 259 30 GLU H H 8.733 0.020 . 103 259 30 GLU CA C 59.709 0.200 . 104 259 30 GLU CB C 28.647 0.200 . 105 259 30 GLU N N 115.551 0.200 . 106 260 31 GLU H H 7.375 0.020 . 107 260 31 GLU CA C 59.067 0.200 . 108 260 31 GLU N N 118.283 0.200 . 109 261 32 ILE H H 8.766 0.020 . 110 261 32 ILE CA C 65.987 0.200 . 111 261 32 ILE N N 123.587 0.200 . 112 262 33 LYS H H 7.673 0.020 . 113 262 33 LYS CA C 58.224 0.200 . 114 262 33 LYS N N 120.845 0.200 . 115 263 34 PRO CA C 65.385 0.200 . 116 263 34 PRO CB C 34.337 0.200 . 117 264 35 TYR H H 8.664 0.020 . 118 264 35 TYR CA C 60.176 0.200 . 119 264 35 TYR CB C 39.121 0.200 . 120 264 35 TYR N N 121.496 0.200 . 121 265 36 LEU H H 8.141 0.020 . 122 265 36 LEU CA C 56.372 0.200 . 123 265 36 LEU CB C 41.149 0.200 . 124 265 36 LEU N N 114.059 0.200 . 125 266 37 PHE H H 8.388 0.020 . 126 266 37 PHE CA C 60.276 0.200 . 127 266 37 PHE CB C 37.905 0.200 . 128 266 37 PHE N N 122.304 0.200 . 129 267 38 ARG H H 7.673 0.020 . 130 267 38 ARG CA C 56.821 0.200 . 131 267 38 ARG CB C 27.955 0.200 . 132 267 38 ARG N N 120.845 0.200 . 133 268 39 ALA H H 7.978 0.020 . 134 268 39 ALA CA C 53.835 0.200 . 135 268 39 ALA CB C 17.680 0.200 . 136 268 39 ALA N N 116.306 0.200 . 137 269 40 ILE H H 8.204 0.020 . 138 269 40 ILE CA C 62.396 0.200 . 139 269 40 ILE N N 118.255 0.200 . 140 270 41 GLU H H 8.020 0.020 . 141 270 41 GLU CA C 57.900 0.200 . 142 270 41 GLU N N 119.971 0.200 . 143 271 42 GLU H H 8.285 0.020 . 144 271 42 GLU CA C 57.748 0.200 . 145 271 42 GLU N N 119.986 0.200 . 146 272 43 SER H H 8.409 0.020 . 147 272 43 SER CA C 59.958 0.200 . 148 272 43 SER N N 117.818 0.200 . 149 273 44 TYR H H 9.094 0.020 . 150 273 44 TYR CA C 60.851 0.200 . 151 273 44 TYR N N 127.922 0.200 . 152 274 45 TYR H H 9.122 0.020 . 153 274 45 TYR N N 127.963 0.200 . 154 275 46 LYS H H 7.537 0.020 . 155 275 46 LYS CA C 57.704 0.200 . 156 275 46 LYS CB C 31.295 0.200 . 157 275 46 LYS N N 118.229 0.200 . 158 276 47 LEU H H 7.386 0.020 . 159 276 47 LEU CA C 55.867 0.200 . 160 276 47 LEU CB C 41.275 0.200 . 161 276 47 LEU N N 118.717 0.200 . 162 277 48 ASP H H 8.887 0.020 . 163 277 48 ASP CA C 54.063 0.200 . 164 277 48 ASP N N 122.726 0.200 . 165 278 49 LYS H H 8.202 0.020 . 166 278 49 LYS CA C 58.114 0.200 . 167 278 49 LYS CB C 33.102 0.200 . 168 278 49 LYS N N 117.527 0.200 . 169 279 50 ARG H H 7.693 0.020 . 170 279 50 ARG CA C 54.271 0.200 . 171 279 50 ARG CB C 33.639 0.200 . 172 279 50 ARG N N 127.364 0.200 . 173 280 51 ILE H H 8.866 0.020 . 174 280 51 ILE CA C 64.722 0.200 . 175 280 51 ILE N N 126.375 0.200 . 176 281 52 PRO CA C 61.159 0.200 . 177 281 52 PRO CB C 33.027 0.200 . 178 282 53 LYS H H 7.525 0.020 . 179 282 53 LYS CA C 56.711 0.200 . 180 282 53 LYS CB C 32.842 0.200 . 181 282 53 LYS N N 118.769 0.200 . 182 283 54 ALA H H 8.075 0.020 . 183 283 54 ALA CA C 51.022 0.200 . 184 283 54 ALA CB C 19.677 0.200 . 185 283 54 ALA N N 120.491 0.200 . 186 284 55 ILE H H 7.680 0.020 . 187 284 55 ILE CA C 58.076 0.200 . 188 284 55 ILE CB C 35.382 0.200 . 189 284 55 ILE N N 125.013 0.200 . 190 285 56 HIS H H 9.039 0.020 . 191 285 56 HIS CA C 54.871 0.200 . 192 285 56 HIS CB C 25.723 0.200 . 193 285 56 HIS N N 126.318 0.200 . 194 286 57 VAL H H 7.886 0.020 . 195 286 57 VAL CA C 62.702 0.200 . 196 286 57 VAL N N 115.565 0.200 . 197 287 58 VAL H H 8.108 0.020 . 198 287 58 VAL CA C 60.643 0.200 . 199 287 58 VAL CB C 33.810 0.200 . 200 287 58 VAL N N 126.810 0.200 . 201 288 59 ALA H H 9.122 0.020 . 202 288 59 ALA CA C 49.568 0.200 . 203 288 59 ALA CB C 21.817 0.200 . 204 288 59 ALA N N 127.963 0.200 . 205 289 60 VAL H H 8.378 0.020 . 206 289 60 VAL CA C 60.276 0.200 . 207 289 60 VAL CB C 31.499 0.200 . 208 289 60 VAL N N 121.879 0.200 . 209 290 61 THR H H 8.261 0.020 . 210 290 61 THR CA C 60.533 0.200 . 211 290 61 THR N N 116.075 0.200 . 212 291 62 GLU H H 8.638 0.020 . 213 291 62 GLU CA C 55.062 0.200 . 214 291 62 GLU CB C 29.967 0.200 . 215 291 62 GLU N N 119.705 0.200 . 216 292 63 ASP H H 8.761 0.020 . 217 292 63 ASP CA C 54.780 0.200 . 218 292 63 ASP CB C 42.369 0.200 . 219 292 63 ASP N N 127.659 0.200 . 220 293 64 LEU H H 9.148 0.020 . 221 293 64 LEU CA C 56.176 0.200 . 222 293 64 LEU CB C 41.423 0.200 . 223 293 64 LEU N N 125.066 0.200 . 224 294 65 ASP H H 8.147 0.020 . 225 294 65 ASP CA C 51.519 0.200 . 226 294 65 ASP CB C 41.892 0.200 . 227 294 65 ASP N N 116.846 0.200 . 228 295 66 ILE H H 8.955 0.020 . 229 295 66 ILE CA C 63.965 0.200 . 230 295 66 ILE N N 119.296 0.200 . 231 296 67 VAL H H 8.060 0.020 . 232 296 67 VAL CA C 62.512 0.200 . 233 296 67 VAL CB C 33.911 0.200 . 234 296 67 VAL N N 119.648 0.200 . 235 297 68 SER H H 9.459 0.020 . 236 297 68 SER CA C 56.680 0.200 . 237 297 68 SER CB C 63.604 0.200 . 238 297 68 SER N N 124.229 0.200 . 239 298 69 ARG H H 7.716 0.020 . 240 298 69 ARG CA C 55.608 0.200 . 241 298 69 ARG CB C 32.477 0.200 . 242 298 69 ARG N N 124.848 0.200 . 243 299 70 GLY H H 7.506 0.020 . 244 299 70 GLY CA C 46.013 0.200 . 245 299 70 GLY N N 106.917 0.200 . 246 300 71 ARG H H 7.952 0.020 . 247 300 71 ARG CA C 52.744 0.200 . 248 300 71 ARG CB C 31.708 0.200 . 249 300 71 ARG N N 118.520 0.200 . 250 301 72 THR H H 9.008 0.020 . 251 301 72 THR CA C 58.855 0.200 . 252 301 72 THR CB C 71.134 0.200 . 253 301 72 THR N N 114.436 0.200 . 254 302 73 PHE H H 8.235 0.020 . 255 302 73 PHE CA C 61.422 0.200 . 256 302 73 PHE N N 126.832 0.200 . 257 303 74 PRO CA C 63.423 0.200 . 258 303 74 PRO CB C 31.581 0.200 . 259 304 75 HIS H H 7.898 0.020 . 260 304 75 HIS CA C 55.964 0.200 . 261 304 75 HIS N N 119.804 0.200 . 262 305 76 GLY H H 8.958 0.020 . 263 305 76 GLY CA C 46.046 0.200 . 264 305 76 GLY N N 113.797 0.200 . 265 306 77 ILE H H 8.494 0.020 . 266 306 77 ILE CA C 59.408 0.200 . 267 306 77 ILE N N 116.212 0.200 . 268 307 78 SER H H 8.878 0.020 . 269 307 78 SER CA C 59.451 0.200 . 270 307 78 SER N N 118.456 0.200 . 271 310 81 THR H H 8.709 0.020 . 272 310 81 THR CA C 62.867 0.200 . 273 310 81 THR CB C 68.698 0.200 . 274 310 81 THR N N 121.586 0.200 . 275 311 82 ALA H H 9.205 0.020 . 276 311 82 ALA CA C 52.273 0.200 . 277 311 82 ALA CB C 19.395 0.200 . 278 311 82 ALA N N 128.728 0.200 . 279 312 83 TYR H H 7.601 0.020 . 280 312 83 TYR CA C 57.704 0.200 . 281 312 83 TYR N N 125.949 0.200 . 282 313 84 SER H H 7.887 0.020 . 283 313 84 SER CA C 60.884 0.200 . 284 313 84 SER CB C 63.200 0.200 . 285 313 84 SER N N 116.494 0.200 . 286 314 85 GLU H H 9.183 0.020 . 287 314 85 GLU CA C 58.467 0.200 . 288 314 85 GLU CB C 29.753 0.200 . 289 314 85 GLU N N 120.160 0.200 . 290 315 86 SER H H 8.395 0.020 . 291 315 86 SER CA C 62.885 0.200 . 292 315 86 SER N N 114.690 0.200 . 293 316 87 VAL H H 8.225 0.020 . 294 316 87 VAL CA C 66.921 0.200 . 295 316 87 VAL N N 120.158 0.200 . 296 317 88 LYS H H 8.584 0.020 . 297 317 88 LYS CA C 60.119 0.200 . 298 317 88 LYS N N 120.974 0.200 . 299 318 89 LEU H H 8.323 0.020 . 300 318 89 LEU CA C 58.993 0.200 . 301 318 89 LEU CB C 43.769 0.200 . 302 318 89 LEU N N 118.384 0.200 . 303 319 90 LEU H H 9.640 0.020 . 304 319 90 LEU CA C 56.931 0.200 . 305 319 90 LEU N N 127.018 0.200 . 306 320 91 GLN H H 7.377 0.020 . 307 320 91 GLN CA C 57.787 0.200 . 308 320 91 GLN CB C 28.966 0.200 . 309 320 91 GLN N N 118.026 0.200 . 310 321 92 LYS H H 7.597 0.020 . 311 321 92 LYS CA C 59.471 0.200 . 312 321 92 LYS CB C 31.901 0.200 . 313 321 92 LYS N N 122.465 0.200 . 314 322 93 ILE H H 7.677 0.020 . 315 322 93 ILE CA C 67.063 0.200 . 316 322 93 ILE CB C 37.746 0.200 . 317 322 93 ILE N N 119.736 0.200 . 318 323 94 LEU H H 7.264 0.020 . 319 323 94 LEU CA C 56.868 0.200 . 320 323 94 LEU N N 117.115 0.200 . 321 324 95 GLU H H 7.949 0.020 . 322 324 95 GLU CA C 56.833 0.200 . 323 324 95 GLU N N 120.444 0.200 . 324 326 97 ASP CB C 42.163 0.200 . 325 327 98 GLU H H 8.620 0.020 . 326 327 98 GLU CA C 56.637 0.200 . 327 327 98 GLU CB C 30.255 0.200 . 328 327 98 GLU N N 117.304 0.200 . 329 328 99 ARG H H 7.851 0.020 . 330 328 99 ARG CA C 55.671 0.200 . 331 328 99 ARG CB C 30.475 0.200 . 332 328 99 ARG N N 120.556 0.200 . 333 329 100 LYS H H 8.432 0.020 . 334 329 100 LYS CA C 57.332 0.200 . 335 329 100 LYS CB C 31.804 0.200 . 336 329 100 LYS N N 120.750 0.200 . 337 330 101 ILE H H 7.625 0.020 . 338 330 101 ILE CA C 60.457 0.200 . 339 330 101 ILE CB C 42.333 0.200 . 340 330 101 ILE N N 118.503 0.200 . 341 331 102 ARG H H 8.825 0.020 . 342 331 102 ARG CA C 54.622 0.200 . 343 331 102 ARG CB C 31.454 0.200 . 344 331 102 ARG N N 128.391 0.200 . 345 332 103 ARG H H 8.902 0.020 . 346 332 103 ARG CA C 54.226 0.200 . 347 332 103 ARG CB C 32.224 0.200 . 348 332 103 ARG N N 128.468 0.200 . 349 333 104 ILE H H 8.280 0.020 . 350 333 104 ILE CA C 58.802 0.200 . 351 333 104 ILE CB C 42.900 0.200 . 352 333 104 ILE N N 119.451 0.200 . 353 334 105 GLY H H 8.216 0.020 . 354 334 105 GLY CA C 45.026 0.200 . 355 334 105 GLY N N 104.255 0.200 . 356 335 106 VAL H H 7.970 0.020 . 357 335 106 VAL CA C 58.122 0.200 . 358 335 106 VAL CB C 31.770 0.200 . 359 335 106 VAL N N 112.801 0.200 . 360 336 107 ARG H H 8.725 0.020 . 361 336 107 ARG CB C 32.834 0.200 . 362 336 107 ARG N N 130.211 0.200 . 363 337 108 PHE H H 7.261 0.020 . 364 337 108 PHE CA C 53.933 0.200 . 365 337 108 PHE N N 112.796 0.200 . 366 338 109 SER CA C 56.691 0.200 . 367 338 109 SER CB C 65.145 0.200 . 368 339 110 LYS H H 8.477 0.020 . 369 339 110 LYS CA C 51.021 0.200 . 370 339 110 LYS N N 125.939 0.200 . 371 340 111 PHE H H 8.798 0.020 . 372 340 111 PHE CA C 55.485 0.200 . 373 340 111 PHE CB C 37.905 0.200 . 374 340 111 PHE N N 119.405 0.200 . 375 341 112 ILE H H 7.673 0.020 . 376 341 112 ILE CA C 59.792 0.200 . 377 341 112 ILE N N 120.845 0.200 . 378 342 113 GLU H H 8.955 0.020 . 379 342 113 GLU CA C 56.136 0.200 . 380 342 113 GLU CB C 30.608 0.200 . 381 342 113 GLU N N 124.227 0.200 . 382 343 114 ALA H H 7.649 0.020 . 383 343 114 ALA CA C 50.975 0.200 . 384 343 114 ALA CB C 24.235 0.200 . 385 343 114 ALA N N 126.461 0.200 . 386 344 115 ILE H H 8.241 0.020 . 387 344 115 ILE CA C 59.797 0.200 . 388 344 115 ILE CB C 38.006 0.200 . 389 344 115 ILE N N 109.983 0.200 . 390 345 116 GLY H H 8.893 0.020 . 391 345 116 GLY CA C 44.656 0.200 . 392 345 116 GLY N N 115.347 0.200 . 393 346 117 LEU H H 7.851 0.020 . 394 346 117 LEU CA C 55.671 0.200 . 395 346 117 LEU N N 120.556 0.200 . 396 347 118 ASP CA C 54.429 0.200 . 397 347 118 ASP CB C 41.074 0.200 . 398 348 119 LYS H H 7.522 0.020 . 399 348 119 LYS CB C 31.890 0.200 . 400 348 119 LYS N N 125.463 0.200 . 401 349 120 PHE H H 7.357 0.020 . 402 349 120 PHE CA C 57.806 0.200 . 403 349 120 PHE N N 120.699 0.200 . 404 350 121 PHE CB C 37.192 0.200 . 405 351 122 ASP H H 7.239 0.020 . 406 351 122 ASP CA C 52.645 0.200 . 407 351 122 ASP CB C 41.357 0.200 . 408 351 122 ASP N N 119.364 0.200 . 409 352 123 THR H H 7.879 0.020 . 410 352 123 THR CA C 63.047 0.200 . 411 352 123 THR CB C 68.843 0.200 . 412 352 123 THR N N 114.621 0.200 . 413 353 124 LEU H H 8.670 0.020 . 414 353 124 LEU CA C 53.617 0.200 . 415 353 124 LEU CB C 42.382 0.200 . 416 353 124 LEU N N 126.054 0.200 . 417 354 125 GLU H H 7.631 0.020 . 418 354 125 GLU CA C 53.667 0.200 . 419 354 125 GLU CB C 29.531 0.200 . 420 354 125 GLU N N 129.255 0.200 . 421 355 126 HIS H H 7.818 0.020 . 422 355 126 HIS N N 123.077 0.200 . 423 356 127 HIS H H 7.400 0.020 . 424 356 127 HIS CA C 58.155 0.200 . 425 356 127 HIS CB C 30.211 0.200 . 426 356 127 HIS N N 118.052 0.200 . 427 357 128 HIS H H 7.696 0.020 . 428 357 128 HIS CA C 57.045 0.200 . 429 357 128 HIS N N 116.909 0.200 . 430 359 130 HIS H H 7.400 0.020 . 431 359 130 HIS CA C 56.888 0.200 . 432 359 130 HIS CB C 31.295 0.200 . 433 359 130 HIS N N 118.265 0.200 . 434 360 131 HIS H H 7.386 0.020 . 435 360 131 HIS CA C 55.867 0.200 . 436 360 131 HIS N N 118.717 0.200 . stop_ save_