data_16869 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16869 _Entry.Title ; Backbone assignment of the catalytic core of a Y-family DNA polymerase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-15 _Entry.Accession_date 2010-04-15 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'The first 20 residues in the sequence are an affinity tag (for the purpose of protein purification) and have sequential numbers -19 to 0.' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Dejian Ma . . . 16869 2 Jason Fowler . . . 16869 3 Chunhua Yuan . . . 16869 4 Zucai Suo . . . 16869 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16869 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 513 16869 '15N chemical shifts' 185 16869 '1H chemical shifts' 185 16869 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-10-05 2010-04-15 update BMRB 'Update entry citation' 16869 1 . . 2010-07-27 2010-04-15 original author 'original release' 16869 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17201 'little finger domain of Dpo4' 16869 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16869 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20582735 _Citation.Full_citation . _Citation.Title 'Backbone assignment of the catalytic core of a Y-family DNA polymerase.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 4 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 207 _Citation.Page_last 209 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Dejian Ma . . . 16869 1 2 Jason Fowler . D. . 16869 1 3 Chunhua Yuan . . . 16869 1 4 Zucai Suo . . . 16869 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16869 _Assembly.ID 1 _Assembly.Name 'catalytic core of Dpo4' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 27957.5 _Assembly.Enzyme_commission_number 'EC 2.7.7.7' _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'catalytic core of Dpo4' 1 $Dpo4 A . yes native no no . . . 16869 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2RDI . . X-ray 1.92 'This entry is the structure of the catalytic core domains only (residues 1-230)' . 16869 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Dpo4 _Entity.Sf_category entity _Entity.Sf_framecode Dpo4 _Entity.Entry_ID 16869 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Dpo4 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGLVPRGSH MIVLFVDFDYFYAQVEEVLN PSLKGKPVVVCVFSGRFEDS GAVATANYEARKFGVKAGIP IVEAKKILPNAVYLPMRKEV YQQVSSRIMNLLREYSEKIE IASIDEAYLDISDKVRDYRE AYNLGLEIKNKILEKEKITV TVGISKNKVFAKIAADMAKP NGIKVIDDEEVKRLIRELDI ADVPGIGNITAEKLKKLGIN KLVDTLSIEFDKLKGMIGEA KAKYLISLAR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'First 20 residues, -19 to 0, represent a non-native affinity tag.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 250 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Catalytic Core Domain' _Entity.Mutation . _Entity.EC_number 'EC 2.7.7.7' _Entity.Calc_isoelectric_point . _Entity.Formula_weight 27957.5 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1JX4 . "Crystal Structure Of A Y-Family Dna Polymerase In A Ternary Complex With Dna Substrates And An Incoming Nucleotide" . . . . . 91.60 352 98.25 98.25 1.19e-152 . . . . 16869 1 2 no PDB 1JXL . "Crystal Structure Of A Y-Family Dna Polymerase In A Ternary Complex With Dna Substrates And An Incoming Nucleotide" . . . . . 92.00 352 100.00 100.00 8.81e-158 . . . . 16869 1 3 no PDB 1N48 . "Y-Family Dna Polymerase Dpo4 In Complex With Dna Containing Abasic Lesion" . . . . . 92.00 352 100.00 100.00 8.81e-158 . . . . 16869 1 4 no PDB 1N56 . "Y-Family Dna Polymerase Dpo4 In Complex With Dna Containing Abasic Lesion" . . . . . 92.00 352 100.00 100.00 8.81e-158 . . . . 16869 1 5 no PDB 1RYR . "Replication Of A Cis-Syn Thymine Dimer At Atomic Resolution" . . . . . 92.00 352 100.00 100.00 8.81e-158 . . . . 16869 1 6 no PDB 1RYS . "Replication Of A Cis-Syn Thymine Dimer At Atomic Resolution" . . . . . 92.00 352 100.00 100.00 8.81e-158 . . . . 16869 1 7 no PDB 1S0M . "Crystal Structure Of A Benzo[a]pyrene Diol Epoxide Adduct In A Ternary Complex With A Dna Polymerase" . . . . . 92.00 352 100.00 100.00 8.81e-158 . . . . 16869 1 8 no PDB 1S0N . "Snapshots Of Replication Through An Abasic Lesion: Structural Basis For Base Substitution And Frameshift" . . . . . 92.00 352 100.00 100.00 8.81e-158 . . . . 16869 1 9 no PDB 1S0O . "Snapshots Of Replication Through An Abasic Lesion: Structural Basis For Base Substitution And Frameshift" . . . . . 92.00 352 100.00 100.00 8.81e-158 . . . . 16869 1 10 no PDB 1S10 . "Snapshots Of Replication Through An Abasic Lesion: Structural Basis For Base Substitution And Frameshift" . . . . . 92.00 352 100.00 100.00 8.81e-158 . . . . 16869 1 11 no PDB 1S97 . "Dpo4 With Gt Mismatch" . . . . . 92.00 352 100.00 100.00 8.81e-158 . . . . 16869 1 12 no PDB 1S9F . "Dpo With At Matched" . . . . . 92.00 352 100.00 100.00 8.81e-158 . . . . 16869 1 13 no PDB 2AGO . "Fidelity Of Dpo4: Effect Of Metal Ions, Nucleotide Selection And Pyrophosphorolysis" . . . . . 92.00 341 100.00 100.00 3.48e-158 . . . . 16869 1 14 no PDB 2AGP . "Fidelity Of Dpo4: Effect Of Metal Ions, Nucleotide Selection And Pyrophosphorolysis" . . . . . 92.00 341 100.00 100.00 3.48e-158 . . . . 16869 1 15 no PDB 2AGQ . "Fidelity Of Dpo4: Effect Of Metal Ions, Nucleotide Selection And Pyrophosphorolysis" . . . . . 92.00 341 100.00 100.00 3.48e-158 . . . . 16869 1 16 no PDB 2ASD . "Oxog-Modified Insertion Ternary Complex" . . . . . 95.20 360 97.90 97.90 6.75e-158 . . . . 16869 1 17 no PDB 2ASJ . "Oxog-Modified Preinsertion Binary Complex" . . . . . 95.20 360 97.90 97.90 6.75e-158 . . . . 16869 1 18 no PDB 2ASL . "Oxog-Modified Postinsertion Binary Complex" . . . . . 95.20 360 97.90 97.90 6.75e-158 . . . . 16869 1 19 no PDB 2ATL . "Unmodified Insertion Ternary Complex" . . . . . 95.20 360 97.90 97.90 6.75e-158 . . . . 16869 1 20 no PDB 2AU0 . "Unmodified Preinsertion Binary Complex" . . . . . 95.20 360 97.90 97.90 6.75e-158 . . . . 16869 1 21 no PDB 2IA6 . "Bypass Of Major Benzopyrene-Dg Adduct By Y-Family Dna Polymerase With Unique Structural Gap" . . . . . 92.00 352 100.00 100.00 8.81e-158 . . . . 16869 1 22 no PDB 2IBK . "Bypass Of Major Benzopyrene-Dg Adduct By Y-Family Dna Polymerase With Unique Structural Gap" . . . . . 92.00 352 100.00 100.00 8.81e-158 . . . . 16869 1 23 no PDB 2IMW . "Mechanism Of Template-Independent Nucleotide Incorporation Catalyzed By A Template-Dependent Dna Polymerase" . . . . . 92.00 348 100.00 100.00 6.03e-158 . . . . 16869 1 24 no PDB 2R8G . "Selectivity Of Nucleoside Triphosphate Incorporation Opposite 1,N2-Propanodeoxyguanosine (Pdg) By The Sulfolobus Solfataricus D" . . . . . 92.00 352 100.00 100.00 8.81e-158 . . . . 16869 1 25 no PDB 2R8H . "Selectivity Of Nucleoside Triphosphate Incorporation Opposite 1,N2- Propanodeoxyguanosine (Pdg) By The Sulfolobus Solfataricus " . . . . . 92.00 352 100.00 100.00 8.81e-158 . . . . 16869 1 26 no PDB 2R8I . "Selectivity Of Nucleoside Triphosphate Incorporation Opposite 1,N2-Propanodeoxyguanosine (Pdg) By The Sulfolobus Solfataricus D" . . . . . 92.00 352 100.00 100.00 8.81e-158 . . . . 16869 1 27 no PDB 2RDI . "Snapshots Of A Y-family Dna Polymerase In Replication: Dpo4 In Apo And Binary/ternary Complex Forms" . . . . . 92.00 342 100.00 100.00 2.99e-158 . . . . 16869 1 28 no PDB 2RDJ . "Snapshots Of A Y-family Dna Polymerase In Replication: Dpo4 In Apo And Binary/ternary Complex Forms" . . . . . 92.00 352 100.00 100.00 8.81e-158 . . . . 16869 1 29 no PDB 3FDS . "Structural Insight Into Recruitment Of Translesion Dna Polymerase Dpo4 To Sliding Clamp Pcna" . . . . . 92.00 352 100.00 100.00 8.81e-158 . . . . 16869 1 30 no PDB 3GII . "Dpo4 Extension Ternary Complex With Disordered A Opposite An Oxog In Anti Conformation" . . . . . 91.60 341 100.00 100.00 4.01e-157 . . . . 16869 1 31 no PDB 3GIJ . "Dpo4 Extension Ternary Complex With Oxog(Syn)-A(Anti) And Oxog(Anti)- A(Syn) Pairs" . . . . . 91.60 341 100.00 100.00 4.01e-157 . . . . 16869 1 32 no PDB 3GIK . "Dpo4 Extension Ternary Complex With The Oxog(Anti)-C(Anti) Pair" . . . . . 91.60 341 100.00 100.00 4.01e-157 . . . . 16869 1 33 no PDB 3GIL . "Dpo4 Extension Ternary Complex With Oxog(Anti)-T(Anti) Pair" . . . . . 91.60 341 100.00 100.00 4.01e-157 . . . . 16869 1 34 no PDB 3GIM . "Dpo4 Extension Ternary Complex With Oxog(Anti)-G(Syn) Pair" . . . . . 91.60 341 100.00 100.00 4.01e-157 . . . . 16869 1 35 no PDB 3KHG . "Dpo4 Extension Ternary Complex With Misinserted A Opposite The 2- Aminofluorene-Guanine [af]g Lesion" . . . . . 91.60 341 100.00 100.00 4.01e-157 . . . . 16869 1 36 no PDB 3KHH . "Dpo4 Extension Ternary Complex With A C Base Opposite The 2- Aminofluorene-Guanine [af]g Lesion" . . . . . 91.60 341 100.00 100.00 4.01e-157 . . . . 16869 1 37 no PDB 3KHL . "Dpo4 Post-Extension Ternary Complex With Misinserted A Opposite The 2- Aminofluorene-Guanine [af]g Lesion" . . . . . 91.60 341 100.00 100.00 4.01e-157 . . . . 16869 1 38 no PDB 3KHR . "Dpo4 Post-Extension Ternary Complex With The Correct C Opposite The 2- Aminofluorene-Guanine [af]g Lesion" . . . . . 91.60 341 100.00 100.00 4.01e-157 . . . . 16869 1 39 no PDB 3M9M . "Crystal Structure Of Dpo4 In Complex With Dna Containing The Major Cisplatin Lesion" . . . . . 92.00 352 100.00 100.00 8.81e-158 . . . . 16869 1 40 no PDB 3M9N . "Crystal Structure Of Dpo4 In Complex With Dna Containing The Major Cisplatin Lesion" . . . . . 92.00 352 100.00 100.00 8.81e-158 . . . . 16869 1 41 no PDB 3M9O . "Crystal Structure Of Dpo4 In Complex With Dna Containing The Major Cisplatin Lesion" . . . . . 92.00 352 100.00 100.00 8.81e-158 . . . . 16869 1 42 no PDB 3PR4 . "Dpo4 Y12a Mutant Incorporating Dadp Opposite Template Dt" . . . . . 92.00 341 99.57 99.57 6.70e-157 . . . . 16869 1 43 no PDB 3PR5 . "Dpo4 Y12a Mutant Incorporating Adp Opposite Template Dt" . . . . . 92.00 341 99.57 99.57 6.70e-157 . . . . 16869 1 44 no PDB 3QZ7 . "T-3 Ternary Complex Of Dpo4" . . . . . 92.00 360 100.00 100.00 5.31e-157 . . . . 16869 1 45 no PDB 3QZ8 . "Tt-4 Ternary Complex Of Dpo4" . . . . . 92.00 360 100.00 100.00 5.31e-157 . . . . 16869 1 46 no PDB 3RAQ . "Dpo4 Extension Ternary Complex With 3'-terminal Primer C Base Opposite The 1-methylguanine (mg1) Lesion" . . . . . 91.60 341 100.00 100.00 4.01e-157 . . . . 16869 1 47 no PDB 3RAX . "Dpo4 Extension Ternary Complex With 3'-terminal Primer T Base Opposite The 1-methylguanine (m1g) Lesion" . . . . . 91.60 341 100.00 100.00 4.01e-157 . . . . 16869 1 48 no PDB 3RB0 . "Dpo4 Extension Ternary Complex With 3'-terminal Primer G Base Opposite The 1-methylguanine (m1g) Lesion" . . . . . 91.60 341 100.00 100.00 4.01e-157 . . . . 16869 1 49 no PDB 3RB3 . "Dpo4 Extension Ternary Complex With 3'-terminal Primer A Base Opposite The 1-methylguanine (m1g) Lesion" . . . . . 91.60 341 100.00 100.00 4.01e-157 . . . . 16869 1 50 no PDB 3RB4 . "Dpo4 Extension Ternary Complex With 3'-terminal Primer G Base Opposite The 3-methylcytosine (m3c) Lesion" . . . . . 91.60 341 100.00 100.00 4.01e-157 . . . . 16869 1 51 no PDB 3RB6 . "Dpo4 Extension Ternary Complex With 3'-terminal Primer A Base Opposite The 3-methylcytosine (m3c) Lesion" . . . . . 91.60 341 100.00 100.00 4.01e-157 . . . . 16869 1 52 no PDB 3RBD . "Dpo4 Extension Ternary Complex With 3'-terminal Primer C Base Opposite The 3-methylcytosine (m3c) Lesion" . . . . . 91.60 341 100.00 100.00 4.01e-157 . . . . 16869 1 53 no PDB 3RBE . "Dpo4 Extension Ternary Complex With 3'-terminal Primer T Base Opposite The 3-methylcytosine (m3c) Lesion" . . . . . 91.60 341 100.00 100.00 4.01e-157 . . . . 16869 1 54 no PDB 3T5H . "Ternary Complex Of Hne Adduct Modified Dna (5'-Cxg-3' Vs 13-Mer) With Dpo4 And Incoming Ddgt" . . . . . 92.00 341 100.00 100.00 3.48e-158 . . . . 16869 1 55 no PDB 3T5J . "Ternary Complex Of Hne Adduct Modified Dna (5'-Txg-3' Vs 13-Mer) With Dpo4 And Incoming Ddtp" . . . . . 92.00 341 100.00 100.00 3.48e-158 . . . . 16869 1 56 no PDB 3T5K . "Ternary Complex Of Hne Adduct Modified Dna (5'-Txg-3' Vs 14-Mer) With Dpo4 And Incoming Ddtp" . . . . . 92.00 341 100.00 100.00 3.48e-158 . . . . 16869 1 57 no PDB 3T5L . "Ternary Complex Of Hne Adduct Modified Dna (5'-Cxg-3' Vs 14-Mer) With Dpo4 And Incoming Ddgt" . . . . . 92.00 341 100.00 100.00 3.48e-158 . . . . 16869 1 58 no PDB 4F4Z . "Y-family Dna Polymerase Chimera Dpo4-dpo4-dbh" . . . . . 92.00 361 100.00 100.00 6.47e-157 . . . . 16869 1 59 no PDB 4FBT . "Dpo4 Post-insertion Complex With The N-(deoxyguanosin-8-yl)-1- Aminopyrene Lesion" . . . . . 92.00 341 100.00 100.00 3.48e-158 . . . . 16869 1 60 no PDB 4FBU . "Dpo4 Polymerase Pre-insertion Binary Complex With The N- (deoxyguanosin-8-yl)-1-aminopyrene Lesion" . . . . . 92.00 341 100.00 100.00 3.48e-158 . . . . 16869 1 61 no PDB 4G3I . "Crystal Structure Of Dpo4 In Complex With Dna Duplex" . . . . . 92.00 342 100.00 100.00 3.19e-158 . . . . 16869 1 62 no PDB 4QW8 . "Ternary Crystal Structures Of A Y-family Dna Polymerase Dpo4 From Sulfolobus Solfataricus In Complex With Dna And D-dctp" . . . . . 92.00 349 100.00 100.00 1.10e-157 . . . . 16869 1 63 no PDB 4QW9 . "Ternary Crystal Structures Of A Y-family Dna Polymerase Dpo4 From Sulfolobus Solfataricus In Complex With Dna And (-)ftc-ppnp" . . . . . 92.00 349 100.00 100.00 1.10e-157 . . . . 16869 1 64 no PDB 4QWA . "Ternary Crystal Structures Of A Y-family Dna Polymerase Dpo4 From Sulfolobus Solfataricus In Complex With Dna And (-)3tc-dp" . . . . . 92.00 349 100.00 100.00 1.10e-157 . . . . 16869 1 65 no PDB 4QWB . "Crystal Structure Of Dpo4 Linker Region P236a Mutant With An Incoming D-dcdp" . . . . . 92.00 343 100.00 100.00 3.20e-158 . . . . 16869 1 66 no PDB 4QWC . "Ternary Crystal Structures Of A Y-family Dna Polymerase Dpo4 From Sulfolobus Solfataricus In Complex With Dna And L-dcdp" . . . . . 92.00 343 100.00 100.00 4.54e-158 . . . . 16869 1 67 no PDB 4QWD . "Ternary Crystal Structures Of A Y-family Dna Polymerase Dpo4 From Sulfolobus Solfataricus In Complex With Dna And (-)3tc-ppnp" . . . . . 92.00 349 100.00 100.00 1.10e-157 . . . . 16869 1 68 no PDB 4QWE . "Ternary Crystal Structures Of A Y-family Dna Polymerase Dpo4 From Sulfolobus Solfataricus In Complex With Dna And (-)ftc-dp" . . . . . 92.00 349 100.00 100.00 1.10e-157 . . . . 16869 1 69 no PDB 4RUA . "Crystal Structure Of Y-family Dna Polymerase Dpo4 Bypassing A Mefapy- Dg Adduct" . . . . . 92.00 341 100.00 100.00 3.48e-158 . . . . 16869 1 70 no PDB 4RUC . "Crystal Structure Of Y-family Dna Polymerase Dpo4 Extending From A Mefapy-dg:dc Pair" . . . . . 92.00 341 100.00 100.00 3.48e-158 . . . . 16869 1 71 no PDB 4RZR . "Bypass Of A Bulky Adduct Dg1,8 By Dpo4" . . . . . 92.00 352 100.00 100.00 8.81e-158 . . . . 16869 1 72 no PDB 4TQR . "Ternary Complex Of Y-family Dna Polymerase Dpo4 With (5's)-8,5'-cyclo- 2'-deoxyguanosine And Dttp" . . . . . 92.00 342 100.00 100.00 4.11e-158 . . . . 16869 1 73 no GB AAK42588 . "DNA polymerase IV (family Y) (dpo4) [Sulfolobus solfataricus P2]" . . . . . 92.00 352 100.00 100.00 8.81e-158 . . . . 16869 1 74 no GB ACX90547 . "DNA-directed DNA polymerase [Sulfolobus solfataricus 98/2]" . . . . . 92.00 352 100.00 100.00 8.81e-158 . . . . 16869 1 75 no GB AKA72680 . "DNA polymerase IV [Sulfolobus solfataricus]" . . . . . 92.00 352 100.00 100.00 8.81e-158 . . . . 16869 1 76 no GB AKA75380 . "DNA polymerase IV [Sulfolobus solfataricus]" . . . . . 92.00 352 100.00 100.00 8.81e-158 . . . . 16869 1 77 no GB AKA78071 . "DNA polymerase IV [Sulfolobus solfataricus]" . . . . . 92.00 352 100.00 100.00 8.81e-158 . . . . 16869 1 78 no REF WP_009993137 . "DNA polymerase IV [Sulfolobus solfataricus]" . . . . . 92.00 352 100.00 100.00 8.81e-158 . . . . 16869 1 79 no SP Q97W02 . "RecName: Full=DNA polymerase IV; Short=Pol IV" . . . . . 92.00 352 100.00 100.00 8.81e-158 . . . . 16869 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'DNA Repair Enzyme' 16869 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -19 MET . 16869 1 2 -18 GLY . 16869 1 3 -17 SER . 16869 1 4 -16 SER . 16869 1 5 -15 HIS . 16869 1 6 -14 HIS . 16869 1 7 -13 HIS . 16869 1 8 -12 HIS . 16869 1 9 -11 HIS . 16869 1 10 -10 HIS . 16869 1 11 -9 SER . 16869 1 12 -8 SER . 16869 1 13 -7 GLY . 16869 1 14 -6 LEU . 16869 1 15 -5 VAL . 16869 1 16 -4 PRO . 16869 1 17 -3 ARG . 16869 1 18 -2 GLY . 16869 1 19 -1 SER . 16869 1 20 0 HIS . 16869 1 21 1 MET . 16869 1 22 2 ILE . 16869 1 23 3 VAL . 16869 1 24 4 LEU . 16869 1 25 5 PHE . 16869 1 26 6 VAL . 16869 1 27 7 ASP . 16869 1 28 8 PHE . 16869 1 29 9 ASP . 16869 1 30 10 TYR . 16869 1 31 11 PHE . 16869 1 32 12 TYR . 16869 1 33 13 ALA . 16869 1 34 14 GLN . 16869 1 35 15 VAL . 16869 1 36 16 GLU . 16869 1 37 17 GLU . 16869 1 38 18 VAL . 16869 1 39 19 LEU . 16869 1 40 20 ASN . 16869 1 41 21 PRO . 16869 1 42 22 SER . 16869 1 43 23 LEU . 16869 1 44 24 LYS . 16869 1 45 25 GLY . 16869 1 46 26 LYS . 16869 1 47 27 PRO . 16869 1 48 28 VAL . 16869 1 49 29 VAL . 16869 1 50 30 VAL . 16869 1 51 31 CYS . 16869 1 52 32 VAL . 16869 1 53 33 PHE . 16869 1 54 34 SER . 16869 1 55 35 GLY . 16869 1 56 36 ARG . 16869 1 57 37 PHE . 16869 1 58 38 GLU . 16869 1 59 39 ASP . 16869 1 60 40 SER . 16869 1 61 41 GLY . 16869 1 62 42 ALA . 16869 1 63 43 VAL . 16869 1 64 44 ALA . 16869 1 65 45 THR . 16869 1 66 46 ALA . 16869 1 67 47 ASN . 16869 1 68 48 TYR . 16869 1 69 49 GLU . 16869 1 70 50 ALA . 16869 1 71 51 ARG . 16869 1 72 52 LYS . 16869 1 73 53 PHE . 16869 1 74 54 GLY . 16869 1 75 55 VAL . 16869 1 76 56 LYS . 16869 1 77 57 ALA . 16869 1 78 58 GLY . 16869 1 79 59 ILE . 16869 1 80 60 PRO . 16869 1 81 61 ILE . 16869 1 82 62 VAL . 16869 1 83 63 GLU . 16869 1 84 64 ALA . 16869 1 85 65 LYS . 16869 1 86 66 LYS . 16869 1 87 67 ILE . 16869 1 88 68 LEU . 16869 1 89 69 PRO . 16869 1 90 70 ASN . 16869 1 91 71 ALA . 16869 1 92 72 VAL . 16869 1 93 73 TYR . 16869 1 94 74 LEU . 16869 1 95 75 PRO . 16869 1 96 76 MET . 16869 1 97 77 ARG . 16869 1 98 78 LYS . 16869 1 99 79 GLU . 16869 1 100 80 VAL . 16869 1 101 81 TYR . 16869 1 102 82 GLN . 16869 1 103 83 GLN . 16869 1 104 84 VAL . 16869 1 105 85 SER . 16869 1 106 86 SER . 16869 1 107 87 ARG . 16869 1 108 88 ILE . 16869 1 109 89 MET . 16869 1 110 90 ASN . 16869 1 111 91 LEU . 16869 1 112 92 LEU . 16869 1 113 93 ARG . 16869 1 114 94 GLU . 16869 1 115 95 TYR . 16869 1 116 96 SER . 16869 1 117 97 GLU . 16869 1 118 98 LYS . 16869 1 119 99 ILE . 16869 1 120 100 GLU . 16869 1 121 101 ILE . 16869 1 122 102 ALA . 16869 1 123 103 SER . 16869 1 124 104 ILE . 16869 1 125 105 ASP . 16869 1 126 106 GLU . 16869 1 127 107 ALA . 16869 1 128 108 TYR . 16869 1 129 109 LEU . 16869 1 130 110 ASP . 16869 1 131 111 ILE . 16869 1 132 112 SER . 16869 1 133 113 ASP . 16869 1 134 114 LYS . 16869 1 135 115 VAL . 16869 1 136 116 ARG . 16869 1 137 117 ASP . 16869 1 138 118 TYR . 16869 1 139 119 ARG . 16869 1 140 120 GLU . 16869 1 141 121 ALA . 16869 1 142 122 TYR . 16869 1 143 123 ASN . 16869 1 144 124 LEU . 16869 1 145 125 GLY . 16869 1 146 126 LEU . 16869 1 147 127 GLU . 16869 1 148 128 ILE . 16869 1 149 129 LYS . 16869 1 150 130 ASN . 16869 1 151 131 LYS . 16869 1 152 132 ILE . 16869 1 153 133 LEU . 16869 1 154 134 GLU . 16869 1 155 135 LYS . 16869 1 156 136 GLU . 16869 1 157 137 LYS . 16869 1 158 138 ILE . 16869 1 159 139 THR . 16869 1 160 140 VAL . 16869 1 161 141 THR . 16869 1 162 142 VAL . 16869 1 163 143 GLY . 16869 1 164 144 ILE . 16869 1 165 145 SER . 16869 1 166 146 LYS . 16869 1 167 147 ASN . 16869 1 168 148 LYS . 16869 1 169 149 VAL . 16869 1 170 150 PHE . 16869 1 171 151 ALA . 16869 1 172 152 LYS . 16869 1 173 153 ILE . 16869 1 174 154 ALA . 16869 1 175 155 ALA . 16869 1 176 156 ASP . 16869 1 177 157 MET . 16869 1 178 158 ALA . 16869 1 179 159 LYS . 16869 1 180 160 PRO . 16869 1 181 161 ASN . 16869 1 182 162 GLY . 16869 1 183 163 ILE . 16869 1 184 164 LYS . 16869 1 185 165 VAL . 16869 1 186 166 ILE . 16869 1 187 167 ASP . 16869 1 188 168 ASP . 16869 1 189 169 GLU . 16869 1 190 170 GLU . 16869 1 191 171 VAL . 16869 1 192 172 LYS . 16869 1 193 173 ARG . 16869 1 194 174 LEU . 16869 1 195 175 ILE . 16869 1 196 176 ARG . 16869 1 197 177 GLU . 16869 1 198 178 LEU . 16869 1 199 179 ASP . 16869 1 200 180 ILE . 16869 1 201 181 ALA . 16869 1 202 182 ASP . 16869 1 203 183 VAL . 16869 1 204 184 PRO . 16869 1 205 185 GLY . 16869 1 206 186 ILE . 16869 1 207 187 GLY . 16869 1 208 188 ASN . 16869 1 209 189 ILE . 16869 1 210 190 THR . 16869 1 211 191 ALA . 16869 1 212 192 GLU . 16869 1 213 193 LYS . 16869 1 214 194 LEU . 16869 1 215 195 LYS . 16869 1 216 196 LYS . 16869 1 217 197 LEU . 16869 1 218 198 GLY . 16869 1 219 199 ILE . 16869 1 220 200 ASN . 16869 1 221 201 LYS . 16869 1 222 202 LEU . 16869 1 223 203 VAL . 16869 1 224 204 ASP . 16869 1 225 205 THR . 16869 1 226 206 LEU . 16869 1 227 207 SER . 16869 1 228 208 ILE . 16869 1 229 209 GLU . 16869 1 230 210 PHE . 16869 1 231 211 ASP . 16869 1 232 212 LYS . 16869 1 233 213 LEU . 16869 1 234 214 LYS . 16869 1 235 215 GLY . 16869 1 236 216 MET . 16869 1 237 217 ILE . 16869 1 238 218 GLY . 16869 1 239 219 GLU . 16869 1 240 220 ALA . 16869 1 241 221 LYS . 16869 1 242 222 ALA . 16869 1 243 223 LYS . 16869 1 244 224 TYR . 16869 1 245 225 LEU . 16869 1 246 226 ILE . 16869 1 247 227 SER . 16869 1 248 228 LEU . 16869 1 249 229 ALA . 16869 1 250 230 ARG . 16869 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16869 1 . GLY 2 2 16869 1 . SER 3 3 16869 1 . SER 4 4 16869 1 . HIS 5 5 16869 1 . HIS 6 6 16869 1 . HIS 7 7 16869 1 . HIS 8 8 16869 1 . HIS 9 9 16869 1 . HIS 10 10 16869 1 . SER 11 11 16869 1 . SER 12 12 16869 1 . GLY 13 13 16869 1 . LEU 14 14 16869 1 . VAL 15 15 16869 1 . PRO 16 16 16869 1 . ARG 17 17 16869 1 . GLY 18 18 16869 1 . SER 19 19 16869 1 . HIS 20 20 16869 1 . MET 21 21 16869 1 . ILE 22 22 16869 1 . VAL 23 23 16869 1 . LEU 24 24 16869 1 . PHE 25 25 16869 1 . VAL 26 26 16869 1 . ASP 27 27 16869 1 . PHE 28 28 16869 1 . ASP 29 29 16869 1 . TYR 30 30 16869 1 . PHE 31 31 16869 1 . TYR 32 32 16869 1 . ALA 33 33 16869 1 . GLN 34 34 16869 1 . VAL 35 35 16869 1 . GLU 36 36 16869 1 . GLU 37 37 16869 1 . VAL 38 38 16869 1 . LEU 39 39 16869 1 . ASN 40 40 16869 1 . PRO 41 41 16869 1 . SER 42 42 16869 1 . LEU 43 43 16869 1 . LYS 44 44 16869 1 . GLY 45 45 16869 1 . LYS 46 46 16869 1 . PRO 47 47 16869 1 . VAL 48 48 16869 1 . VAL 49 49 16869 1 . VAL 50 50 16869 1 . CYS 51 51 16869 1 . VAL 52 52 16869 1 . PHE 53 53 16869 1 . SER 54 54 16869 1 . GLY 55 55 16869 1 . ARG 56 56 16869 1 . PHE 57 57 16869 1 . GLU 58 58 16869 1 . ASP 59 59 16869 1 . SER 60 60 16869 1 . GLY 61 61 16869 1 . ALA 62 62 16869 1 . VAL 63 63 16869 1 . ALA 64 64 16869 1 . THR 65 65 16869 1 . ALA 66 66 16869 1 . ASN 67 67 16869 1 . TYR 68 68 16869 1 . GLU 69 69 16869 1 . ALA 70 70 16869 1 . ARG 71 71 16869 1 . LYS 72 72 16869 1 . PHE 73 73 16869 1 . GLY 74 74 16869 1 . VAL 75 75 16869 1 . LYS 76 76 16869 1 . ALA 77 77 16869 1 . GLY 78 78 16869 1 . ILE 79 79 16869 1 . PRO 80 80 16869 1 . ILE 81 81 16869 1 . VAL 82 82 16869 1 . GLU 83 83 16869 1 . ALA 84 84 16869 1 . LYS 85 85 16869 1 . LYS 86 86 16869 1 . ILE 87 87 16869 1 . LEU 88 88 16869 1 . PRO 89 89 16869 1 . ASN 90 90 16869 1 . ALA 91 91 16869 1 . VAL 92 92 16869 1 . TYR 93 93 16869 1 . LEU 94 94 16869 1 . PRO 95 95 16869 1 . MET 96 96 16869 1 . ARG 97 97 16869 1 . LYS 98 98 16869 1 . GLU 99 99 16869 1 . VAL 100 100 16869 1 . TYR 101 101 16869 1 . GLN 102 102 16869 1 . GLN 103 103 16869 1 . VAL 104 104 16869 1 . SER 105 105 16869 1 . SER 106 106 16869 1 . ARG 107 107 16869 1 . ILE 108 108 16869 1 . MET 109 109 16869 1 . ASN 110 110 16869 1 . LEU 111 111 16869 1 . LEU 112 112 16869 1 . ARG 113 113 16869 1 . GLU 114 114 16869 1 . TYR 115 115 16869 1 . SER 116 116 16869 1 . GLU 117 117 16869 1 . LYS 118 118 16869 1 . ILE 119 119 16869 1 . GLU 120 120 16869 1 . ILE 121 121 16869 1 . ALA 122 122 16869 1 . SER 123 123 16869 1 . ILE 124 124 16869 1 . ASP 125 125 16869 1 . GLU 126 126 16869 1 . ALA 127 127 16869 1 . TYR 128 128 16869 1 . LEU 129 129 16869 1 . ASP 130 130 16869 1 . ILE 131 131 16869 1 . SER 132 132 16869 1 . ASP 133 133 16869 1 . LYS 134 134 16869 1 . VAL 135 135 16869 1 . ARG 136 136 16869 1 . ASP 137 137 16869 1 . TYR 138 138 16869 1 . ARG 139 139 16869 1 . GLU 140 140 16869 1 . ALA 141 141 16869 1 . TYR 142 142 16869 1 . ASN 143 143 16869 1 . LEU 144 144 16869 1 . GLY 145 145 16869 1 . LEU 146 146 16869 1 . GLU 147 147 16869 1 . ILE 148 148 16869 1 . LYS 149 149 16869 1 . ASN 150 150 16869 1 . LYS 151 151 16869 1 . ILE 152 152 16869 1 . LEU 153 153 16869 1 . GLU 154 154 16869 1 . LYS 155 155 16869 1 . GLU 156 156 16869 1 . LYS 157 157 16869 1 . ILE 158 158 16869 1 . THR 159 159 16869 1 . VAL 160 160 16869 1 . THR 161 161 16869 1 . VAL 162 162 16869 1 . GLY 163 163 16869 1 . ILE 164 164 16869 1 . SER 165 165 16869 1 . LYS 166 166 16869 1 . ASN 167 167 16869 1 . LYS 168 168 16869 1 . VAL 169 169 16869 1 . PHE 170 170 16869 1 . ALA 171 171 16869 1 . LYS 172 172 16869 1 . ILE 173 173 16869 1 . ALA 174 174 16869 1 . ALA 175 175 16869 1 . ASP 176 176 16869 1 . MET 177 177 16869 1 . ALA 178 178 16869 1 . LYS 179 179 16869 1 . PRO 180 180 16869 1 . ASN 181 181 16869 1 . GLY 182 182 16869 1 . ILE 183 183 16869 1 . LYS 184 184 16869 1 . VAL 185 185 16869 1 . ILE 186 186 16869 1 . ASP 187 187 16869 1 . ASP 188 188 16869 1 . GLU 189 189 16869 1 . GLU 190 190 16869 1 . VAL 191 191 16869 1 . LYS 192 192 16869 1 . ARG 193 193 16869 1 . LEU 194 194 16869 1 . ILE 195 195 16869 1 . ARG 196 196 16869 1 . GLU 197 197 16869 1 . LEU 198 198 16869 1 . ASP 199 199 16869 1 . ILE 200 200 16869 1 . ALA 201 201 16869 1 . ASP 202 202 16869 1 . VAL 203 203 16869 1 . PRO 204 204 16869 1 . GLY 205 205 16869 1 . ILE 206 206 16869 1 . GLY 207 207 16869 1 . ASN 208 208 16869 1 . ILE 209 209 16869 1 . THR 210 210 16869 1 . ALA 211 211 16869 1 . GLU 212 212 16869 1 . LYS 213 213 16869 1 . LEU 214 214 16869 1 . LYS 215 215 16869 1 . LYS 216 216 16869 1 . LEU 217 217 16869 1 . GLY 218 218 16869 1 . ILE 219 219 16869 1 . ASN 220 220 16869 1 . LYS 221 221 16869 1 . LEU 222 222 16869 1 . VAL 223 223 16869 1 . ASP 224 224 16869 1 . THR 225 225 16869 1 . LEU 226 226 16869 1 . SER 227 227 16869 1 . ILE 228 228 16869 1 . GLU 229 229 16869 1 . PHE 230 230 16869 1 . ASP 231 231 16869 1 . LYS 232 232 16869 1 . LEU 233 233 16869 1 . LYS 234 234 16869 1 . GLY 235 235 16869 1 . MET 236 236 16869 1 . ILE 237 237 16869 1 . GLY 238 238 16869 1 . GLU 239 239 16869 1 . ALA 240 240 16869 1 . LYS 241 241 16869 1 . ALA 242 242 16869 1 . LYS 243 243 16869 1 . TYR 244 244 16869 1 . LEU 245 245 16869 1 . ILE 246 246 16869 1 . SER 247 247 16869 1 . LEU 248 248 16869 1 . ALA 249 249 16869 1 . ARG 250 250 16869 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16869 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Dpo4 . 2287 organism . 'Sulfolobus solfataricus' 'Sulfolobus solfataricus' . . Archaea . Sulfolobus solfataricus P2 . . . . . . . . . . . . . . . dinP . . . . 16869 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 16869 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Dpo4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET22b . . . 'Vector contains the gene for Dpo4.' . . 16869 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16869 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Dpo4 '[U-100% 13C; U-100% 15N]' . . 1 $Dpo4 . . 0.2 . . mM . . . . 16869 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16869 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16869 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16869 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 170 . mM 16869 1 pH 7.0 . pH 16869 1 pressure 1 . atm 16869 1 temperature 323 . K 16869 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 16869 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16869 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16869 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16869 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16869 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 16869 2 processing 16869 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16869 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16869 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16869 3 'data analysis' 16869 3 'peak picking' 16869 3 stop_ save_ save_MARS _Software.Sf_category software _Software.Sf_framecode MARS _Software.Entry_ID 16869 _Software.ID 4 _Software.Name MARS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Jung and Zweckstetter' . . 16869 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16869 4 'data analysis' 16869 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16869 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16869 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 800 . . . 16869 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16869 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16869 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16869 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16869 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16869 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16869 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16869 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16869 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16869 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.51 internal indirect 0.251449530 . . . . . . . . . 16869 1 H 1 water protons . . . . ppm 4.51 internal direct 1.0 . . . . . . . . . 16869 1 N 15 water protons . . . . ppm 4.51 internal indirect 0.101329118 . . . . . . . . . 16869 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16869 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16869 1 3 '3D CBCA(CO)NH' . . . 16869 1 4 '3D HNCO' . . . 16869 1 5 '3D HNCA' . . . 16869 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 21 21 MET C C 13 175.339 0.200 . 1 . . . . 1 MET C . 16869 1 2 . 1 1 21 21 MET CB C 13 34.863 0.200 . 1 . . . . 1 MET CB . 16869 1 3 . 1 1 22 22 ILE H H 1 8.281 0.020 . 1 . . . . 2 ILE H . 16869 1 4 . 1 1 22 22 ILE C C 13 173.333 0.200 . 1 . . . . 2 ILE C . 16869 1 5 . 1 1 22 22 ILE CA C 13 62.502 0.200 . 1 . . . . 2 ILE CA . 16869 1 6 . 1 1 22 22 ILE CB C 13 40.878 0.200 . 1 . . . . 2 ILE CB . 16869 1 7 . 1 1 22 22 ILE N N 15 122.408 0.200 . 1 . . . . 2 ILE N . 16869 1 8 . 1 1 23 23 VAL H H 1 8.818 0.020 . 1 . . . . 3 VAL H . 16869 1 9 . 1 1 23 23 VAL C C 13 172.476 0.200 . 1 . . . . 3 VAL C . 16869 1 10 . 1 1 23 23 VAL CA C 13 60.717 0.200 . 1 . . . . 3 VAL CA . 16869 1 11 . 1 1 23 23 VAL CB C 13 34.451 0.200 . 1 . . . . 3 VAL CB . 16869 1 12 . 1 1 23 23 VAL N N 15 125.746 0.200 . 1 . . . . 3 VAL N . 16869 1 13 . 1 1 24 24 LEU H H 1 9.098 0.020 . 1 . . . . 4 LEU H . 16869 1 14 . 1 1 24 24 LEU CA C 13 54.055 0.200 . 1 . . . . 4 LEU CA . 16869 1 15 . 1 1 24 24 LEU N N 15 128.639 0.200 . 1 . . . . 4 LEU N . 16869 1 16 . 1 1 26 26 VAL C C 13 170.819 0.200 . 1 . . . . 6 VAL C . 16869 1 17 . 1 1 26 26 VAL CB C 13 32.985 0.200 . 1 . . . . 6 VAL CB . 16869 1 18 . 1 1 27 27 ASP H H 1 8.146 0.020 . 1 . . . . 7 ASP H . 16869 1 19 . 1 1 27 27 ASP C C 13 177.004 0.200 . 1 . . . . 7 ASP C . 16869 1 20 . 1 1 27 27 ASP CA C 13 51.025 0.200 . 1 . . . . 7 ASP CA . 16869 1 21 . 1 1 27 27 ASP CB C 13 43.804 0.200 . 1 . . . . 7 ASP CB . 16869 1 22 . 1 1 27 27 ASP N N 15 125.142 0.200 . 1 . . . . 7 ASP N . 16869 1 23 . 1 1 28 28 PHE H H 1 8.306 0.020 . 1 . . . . 8 PHE H . 16869 1 24 . 1 1 28 28 PHE C C 13 175.108 0.200 . 1 . . . . 8 PHE C . 16869 1 25 . 1 1 28 28 PHE CA C 13 54.286 0.200 . 1 . . . . 8 PHE CA . 16869 1 26 . 1 1 28 28 PHE N N 15 124.535 0.200 . 1 . . . . 8 PHE N . 16869 1 27 . 1 1 29 29 ASP H H 1 7.409 0.020 . 1 . . . . 9 ASP H . 16869 1 28 . 1 1 29 29 ASP CA C 13 55.924 0.200 . 1 . . . . 9 ASP CA . 16869 1 29 . 1 1 29 29 ASP N N 15 122.885 0.200 . 1 . . . . 9 ASP N . 16869 1 30 . 1 1 31 31 PHE C C 13 176.815 0.200 . 1 . . . . 11 PHE C . 16869 1 31 . 1 1 32 32 TYR H H 1 8.378 0.020 . 1 . . . . 12 TYR H . 16869 1 32 . 1 1 32 32 TYR C C 13 177.377 0.200 . 1 . . . . 12 TYR C . 16869 1 33 . 1 1 32 32 TYR CA C 13 57.562 0.200 . 1 . . . . 12 TYR CA . 16869 1 34 . 1 1 32 32 TYR CB C 13 36.991 0.200 . 1 . . . . 12 TYR CB . 16869 1 35 . 1 1 32 32 TYR N N 15 113.745 0.200 . 1 . . . . 12 TYR N . 16869 1 36 . 1 1 33 33 ALA H H 1 6.694 0.020 . 1 . . . . 13 ALA H . 16869 1 37 . 1 1 33 33 ALA C C 13 178.134 0.200 . 1 . . . . 13 ALA C . 16869 1 38 . 1 1 33 33 ALA CA C 13 54.164 0.200 . 1 . . . . 13 ALA CA . 16869 1 39 . 1 1 33 33 ALA CB C 13 18.528 0.200 . 1 . . . . 13 ALA CB . 16869 1 40 . 1 1 33 33 ALA N N 15 113.256 0.200 . 1 . . . . 13 ALA N . 16869 1 41 . 1 1 34 34 GLN H H 1 8.337 0.020 . 1 . . . . 14 GLN H . 16869 1 42 . 1 1 34 34 GLN C C 13 178.605 0.200 . 1 . . . . 14 GLN C . 16869 1 43 . 1 1 34 34 GLN CA C 13 59.993 0.200 . 1 . . . . 14 GLN CA . 16869 1 44 . 1 1 34 34 GLN CB C 13 28.099 0.200 . 1 . . . . 14 GLN CB . 16869 1 45 . 1 1 34 34 GLN N N 15 119.618 0.200 . 1 . . . . 14 GLN N . 16869 1 46 . 1 1 35 35 VAL H H 1 8.200 0.020 . 1 . . . . 15 VAL H . 16869 1 47 . 1 1 35 35 VAL C C 13 177.824 0.200 . 1 . . . . 15 VAL C . 16869 1 48 . 1 1 35 35 VAL CA C 13 67.294 0.200 . 1 . . . . 15 VAL CA . 16869 1 49 . 1 1 35 35 VAL N N 15 117.114 0.200 . 1 . . . . 15 VAL N . 16869 1 50 . 1 1 36 36 GLU H H 1 7.068 0.020 . 1 . . . . 16 GLU H . 16869 1 51 . 1 1 36 36 GLU C C 13 179.515 0.200 . 1 . . . . 16 GLU C . 16869 1 52 . 1 1 36 36 GLU CA C 13 58.903 0.200 . 1 . . . . 16 GLU CA . 16869 1 53 . 1 1 36 36 GLU N N 15 115.414 0.200 . 1 . . . . 16 GLU N . 16869 1 54 . 1 1 37 37 GLU H H 1 7.738 0.020 . 1 . . . . 17 GLU H . 16869 1 55 . 1 1 37 37 GLU C C 13 177.947 0.200 . 1 . . . . 17 GLU C . 16869 1 56 . 1 1 37 37 GLU CA C 13 58.961 0.200 . 1 . . . . 17 GLU CA . 16869 1 57 . 1 1 37 37 GLU CB C 13 30.261 0.200 . 1 . . . . 17 GLU CB . 16869 1 58 . 1 1 37 37 GLU N N 15 119.135 0.200 . 1 . . . . 17 GLU N . 16869 1 59 . 1 1 38 38 VAL H H 1 7.959 0.020 . 1 . . . . 18 VAL H . 16869 1 60 . 1 1 38 38 VAL C C 13 177.562 0.200 . 1 . . . . 18 VAL C . 16869 1 61 . 1 1 38 38 VAL CA C 13 65.993 0.200 . 1 . . . . 18 VAL CA . 16869 1 62 . 1 1 38 38 VAL N N 15 119.152 0.200 . 1 . . . . 18 VAL N . 16869 1 63 . 1 1 39 39 LEU H H 1 7.933 0.020 . 1 . . . . 19 LEU H . 16869 1 64 . 1 1 39 39 LEU C C 13 177.740 0.200 . 1 . . . . 19 LEU C . 16869 1 65 . 1 1 39 39 LEU CA C 13 56.467 0.200 . 1 . . . . 19 LEU CA . 16869 1 66 . 1 1 39 39 LEU CB C 13 42.316 0.200 . 1 . . . . 19 LEU CB . 16869 1 67 . 1 1 39 39 LEU N N 15 117.923 0.200 . 1 . . . . 19 LEU N . 16869 1 68 . 1 1 40 40 ASN H H 1 7.543 0.020 . 1 . . . . 20 ASN H . 16869 1 69 . 1 1 40 40 ASN CA C 13 49.994 0.200 . 1 . . . . 20 ASN CA . 16869 1 70 . 1 1 40 40 ASN N N 15 114.281 0.200 . 1 . . . . 20 ASN N . 16869 1 71 . 1 1 42 42 SER C C 13 175.170 0.200 . 1 . . . . 22 SER C . 16869 1 72 . 1 1 42 42 SER CB C 13 63.010 0.200 . 1 . . . . 22 SER CB . 16869 1 73 . 1 1 43 43 LEU H H 1 8.337 0.020 . 1 . . . . 23 LEU H . 16869 1 74 . 1 1 43 43 LEU C C 13 176.689 0.200 . 1 . . . . 23 LEU C . 16869 1 75 . 1 1 43 43 LEU CA C 13 55.447 0.200 . 1 . . . . 23 LEU CA . 16869 1 76 . 1 1 43 43 LEU CB C 13 42.277 0.200 . 1 . . . . 23 LEU CB . 16869 1 77 . 1 1 43 43 LEU N N 15 119.618 0.200 . 1 . . . . 23 LEU N . 16869 1 78 . 1 1 44 44 LYS H H 1 7.127 0.020 . 1 . . . . 24 LYS H . 16869 1 79 . 1 1 44 44 LYS CA C 13 58.533 0.200 . 1 . . . . 24 LYS CA . 16869 1 80 . 1 1 44 44 LYS N N 15 116.659 0.200 . 1 . . . . 24 LYS N . 16869 1 81 . 1 1 45 45 GLY C C 13 174.138 0.200 . 1 . . . . 25 GLY C . 16869 1 82 . 1 1 46 46 LYS H H 1 7.478 0.020 . 1 . . . . 26 LYS H . 16869 1 83 . 1 1 46 46 LYS CA C 13 60.299 0.200 . 1 . . . . 26 LYS CA . 16869 1 84 . 1 1 46 46 LYS N N 15 119.646 0.200 . 1 . . . . 26 LYS N . 16869 1 85 . 1 1 47 47 PRO C C 13 174.865 0.200 . 1 . . . . 27 PRO C . 16869 1 86 . 1 1 47 47 PRO CA C 13 62.561 0.200 . 1 . . . . 27 PRO CA . 16869 1 87 . 1 1 47 47 PRO CB C 13 30.606 0.200 . 1 . . . . 27 PRO CB . 16869 1 88 . 1 1 48 48 VAL H H 1 7.845 0.020 . 1 . . . . 28 VAL H . 16869 1 89 . 1 1 48 48 VAL C C 13 173.592 0.200 . 1 . . . . 28 VAL C . 16869 1 90 . 1 1 48 48 VAL CA C 13 61.808 0.200 . 1 . . . . 28 VAL CA . 16869 1 91 . 1 1 48 48 VAL N N 15 125.373 0.200 . 1 . . . . 28 VAL N . 16869 1 92 . 1 1 49 49 VAL H H 1 8.717 0.020 . 1 . . . . 29 VAL H . 16869 1 93 . 1 1 49 49 VAL C C 13 174.283 0.200 . 1 . . . . 29 VAL C . 16869 1 94 . 1 1 49 49 VAL CA C 13 60.935 0.200 . 1 . . . . 29 VAL CA . 16869 1 95 . 1 1 49 49 VAL N N 15 126.689 0.200 . 1 . . . . 29 VAL N . 16869 1 96 . 1 1 50 50 VAL H H 1 8.813 0.020 . 1 . . . . 30 VAL H . 16869 1 97 . 1 1 50 50 VAL C C 13 176.711 0.200 . 1 . . . . 30 VAL C . 16869 1 98 . 1 1 50 50 VAL CA C 13 61.928 0.200 . 1 . . . . 30 VAL CA . 16869 1 99 . 1 1 50 50 VAL N N 15 127.067 0.200 . 1 . . . . 30 VAL N . 16869 1 100 . 1 1 51 51 CYS H H 1 9.387 0.020 . 1 . . . . 31 CYS H . 16869 1 101 . 1 1 51 51 CYS C C 13 172.443 0.200 . 1 . . . . 31 CYS C . 16869 1 102 . 1 1 51 51 CYS CA C 13 58.859 0.200 . 1 . . . . 31 CYS CA . 16869 1 103 . 1 1 51 51 CYS CB C 13 31.405 0.200 . 1 . . . . 31 CYS CB . 16869 1 104 . 1 1 51 51 CYS N N 15 126.817 0.200 . 1 . . . . 31 CYS N . 16869 1 105 . 1 1 52 52 VAL H H 1 8.777 0.020 . 1 . . . . 32 VAL H . 16869 1 106 . 1 1 52 52 VAL CA C 13 60.967 0.200 . 1 . . . . 32 VAL CA . 16869 1 107 . 1 1 52 52 VAL N N 15 121.155 0.200 . 1 . . . . 32 VAL N . 16869 1 108 . 1 1 56 56 ARG C C 13 174.052 0.200 . 1 . . . . 36 ARG C . 16869 1 109 . 1 1 56 56 ARG CB C 13 30.804 0.200 . 1 . . . . 36 ARG CB . 16869 1 110 . 1 1 57 57 PHE H H 1 7.622 0.020 . 1 . . . . 37 PHE H . 16869 1 111 . 1 1 57 57 PHE CA C 13 57.713 0.200 . 1 . . . . 37 PHE CA . 16869 1 112 . 1 1 57 57 PHE N N 15 125.529 0.200 . 1 . . . . 37 PHE N . 16869 1 113 . 1 1 59 59 ASP C C 13 174.915 0.200 . 1 . . . . 39 ASP C . 16869 1 114 . 1 1 59 59 ASP CB C 13 40.730 0.200 . 1 . . . . 39 ASP CB . 16869 1 115 . 1 1 60 60 SER H H 1 7.905 0.020 . 1 . . . . 40 SER H . 16869 1 116 . 1 1 60 60 SER CA C 13 58.374 0.200 . 1 . . . . 40 SER CA . 16869 1 117 . 1 1 60 60 SER N N 15 115.062 0.200 . 1 . . . . 40 SER N . 16869 1 118 . 1 1 61 61 GLY C C 13 173.294 0.200 . 1 . . . . 41 GLY C . 16869 1 119 . 1 1 62 62 ALA H H 1 8.353 0.020 . 1 . . . . 42 ALA H . 16869 1 120 . 1 1 62 62 ALA C C 13 176.183 0.200 . 1 . . . . 42 ALA C . 16869 1 121 . 1 1 62 62 ALA CA C 13 50.551 0.200 . 1 . . . . 42 ALA CA . 16869 1 122 . 1 1 62 62 ALA CB C 13 22.508 0.200 . 1 . . . . 42 ALA CB . 16869 1 123 . 1 1 62 62 ALA N N 15 122.698 0.200 . 1 . . . . 42 ALA N . 16869 1 124 . 1 1 63 63 VAL H H 1 8.562 0.020 . 1 . . . . 43 VAL H . 16869 1 125 . 1 1 63 63 VAL C C 13 176.414 0.200 . 1 . . . . 43 VAL C . 16869 1 126 . 1 1 63 63 VAL CA C 13 64.355 0.200 . 1 . . . . 43 VAL CA . 16869 1 127 . 1 1 63 63 VAL CB C 13 31.592 0.200 . 1 . . . . 43 VAL CB . 16869 1 128 . 1 1 63 63 VAL N N 15 120.226 0.200 . 1 . . . . 43 VAL N . 16869 1 129 . 1 1 64 64 ALA H H 1 9.897 0.020 . 1 . . . . 44 ALA H . 16869 1 130 . 1 1 64 64 ALA C C 13 177.497 0.200 . 1 . . . . 44 ALA C . 16869 1 131 . 1 1 64 64 ALA CA C 13 53.808 0.200 . 1 . . . . 44 ALA CA . 16869 1 132 . 1 1 64 64 ALA CB C 13 19.659 0.200 . 1 . . . . 44 ALA CB . 16869 1 133 . 1 1 64 64 ALA N N 15 133.521 0.200 . 1 . . . . 44 ALA N . 16869 1 134 . 1 1 65 65 THR H H 1 7.774 0.020 . 1 . . . . 45 THR H . 16869 1 135 . 1 1 65 65 THR CA C 13 62.216 0.200 . 1 . . . . 45 THR CA . 16869 1 136 . 1 1 65 65 THR N N 15 109.072 0.200 . 1 . . . . 45 THR N . 16869 1 137 . 1 1 66 66 ALA C C 13 181.609 0.200 . 1 . . . . 46 ALA C . 16869 1 138 . 1 1 66 66 ALA CB C 13 17.779 0.200 . 1 . . . . 46 ALA CB . 16869 1 139 . 1 1 67 67 ASN H H 1 8.780 0.020 . 1 . . . . 47 ASN H . 16869 1 140 . 1 1 67 67 ASN CA C 13 58.963 0.200 . 1 . . . . 47 ASN CA . 16869 1 141 . 1 1 67 67 ASN N N 15 117.975 0.200 . 1 . . . . 47 ASN N . 16869 1 142 . 1 1 68 68 TYR C C 13 177.123 0.200 . 1 . . . . 48 TYR C . 16869 1 143 . 1 1 68 68 TYR CB C 13 37.439 0.200 . 1 . . . . 48 TYR CB . 16869 1 144 . 1 1 69 69 GLU H H 1 8.081 0.020 . 1 . . . . 49 GLU H . 16869 1 145 . 1 1 69 69 GLU CA C 13 59.824 0.200 . 1 . . . . 49 GLU CA . 16869 1 146 . 1 1 69 69 GLU N N 15 118.538 0.200 . 1 . . . . 49 GLU N . 16869 1 147 . 1 1 70 70 ALA C C 13 178.148 0.200 . 1 . . . . 50 ALA C . 16869 1 148 . 1 1 70 70 ALA CB C 13 17.873 0.200 . 1 . . . . 50 ALA CB . 16869 1 149 . 1 1 71 71 ARG H H 1 8.229 0.020 . 1 . . . . 51 ARG H . 16869 1 150 . 1 1 71 71 ARG C C 13 178.290 0.200 . 1 . . . . 51 ARG C . 16869 1 151 . 1 1 71 71 ARG CA C 13 59.242 0.200 . 1 . . . . 51 ARG CA . 16869 1 152 . 1 1 71 71 ARG CB C 13 28.371 0.200 . 1 . . . . 51 ARG CB . 16869 1 153 . 1 1 71 71 ARG N N 15 114.615 0.200 . 1 . . . . 51 ARG N . 16869 1 154 . 1 1 72 72 LYS H H 1 7.639 0.020 . 1 . . . . 52 LYS H . 16869 1 155 . 1 1 72 72 LYS C C 13 177.231 0.200 . 1 . . . . 52 LYS C . 16869 1 156 . 1 1 72 72 LYS CA C 13 58.978 0.200 . 1 . . . . 52 LYS CA . 16869 1 157 . 1 1 72 72 LYS CB C 13 31.400 0.200 . 1 . . . . 52 LYS CB . 16869 1 158 . 1 1 72 72 LYS N N 15 120.094 0.200 . 1 . . . . 52 LYS N . 16869 1 159 . 1 1 73 73 PHE H H 1 7.168 0.020 . 1 . . . . 53 PHE H . 16869 1 160 . 1 1 73 73 PHE C C 13 175.384 0.200 . 1 . . . . 53 PHE C . 16869 1 161 . 1 1 73 73 PHE CA C 13 58.623 0.200 . 1 . . . . 53 PHE CA . 16869 1 162 . 1 1 73 73 PHE CB C 13 40.247 0.200 . 1 . . . . 53 PHE CB . 16869 1 163 . 1 1 73 73 PHE N N 15 115.190 0.200 . 1 . . . . 53 PHE N . 16869 1 164 . 1 1 74 74 GLY H H 1 7.789 0.020 . 1 . . . . 54 GLY H . 16869 1 165 . 1 1 74 74 GLY C C 13 174.119 0.200 . 1 . . . . 54 GLY C . 16869 1 166 . 1 1 74 74 GLY CA C 13 44.804 0.200 . 1 . . . . 54 GLY CA . 16869 1 167 . 1 1 74 74 GLY N N 15 104.367 0.200 . 1 . . . . 54 GLY N . 16869 1 168 . 1 1 75 75 VAL H H 1 6.996 0.020 . 1 . . . . 55 VAL H . 16869 1 169 . 1 1 75 75 VAL C C 13 172.561 0.200 . 1 . . . . 55 VAL C . 16869 1 170 . 1 1 75 75 VAL CA C 13 64.231 0.200 . 1 . . . . 55 VAL CA . 16869 1 171 . 1 1 75 75 VAL CB C 13 30.596 0.200 . 1 . . . . 55 VAL CB . 16869 1 172 . 1 1 75 75 VAL N N 15 119.418 0.200 . 1 . . . . 55 VAL N . 16869 1 173 . 1 1 76 76 LYS H H 1 6.357 0.020 . 1 . . . . 56 LYS H . 16869 1 174 . 1 1 76 76 LYS CA C 13 53.787 0.200 . 1 . . . . 56 LYS CA . 16869 1 175 . 1 1 76 76 LYS N N 15 121.206 0.200 . 1 . . . . 56 LYS N . 16869 1 176 . 1 1 77 77 ALA C C 13 178.510 0.200 . 1 . . . . 57 ALA C . 16869 1 177 . 1 1 77 77 ALA CB C 13 18.773 0.200 . 1 . . . . 57 ALA CB . 16869 1 178 . 1 1 78 78 GLY H H 1 8.740 0.020 . 1 . . . . 58 GLY H . 16869 1 179 . 1 1 78 78 GLY C C 13 174.609 0.200 . 1 . . . . 58 GLY C . 16869 1 180 . 1 1 78 78 GLY CA C 13 45.174 0.200 . 1 . . . . 58 GLY CA . 16869 1 181 . 1 1 78 78 GLY N N 15 108.513 0.200 . 1 . . . . 58 GLY N . 16869 1 182 . 1 1 79 79 ILE H H 1 7.198 0.020 . 1 . . . . 59 ILE H . 16869 1 183 . 1 1 79 79 ILE CA C 13 59.649 0.200 . 1 . . . . 59 ILE CA . 16869 1 184 . 1 1 79 79 ILE N N 15 116.273 0.200 . 1 . . . . 59 ILE N . 16869 1 185 . 1 1 80 80 PRO C C 13 178.477 0.200 . 1 . . . . 60 PRO C . 16869 1 186 . 1 1 80 80 PRO CA C 13 62.827 0.200 . 1 . . . . 60 PRO CA . 16869 1 187 . 1 1 80 80 PRO CB C 13 32.957 0.200 . 1 . . . . 60 PRO CB . 16869 1 188 . 1 1 81 81 ILE H H 1 8.250 0.020 . 1 . . . . 61 ILE H . 16869 1 189 . 1 1 81 81 ILE C C 13 177.435 0.200 . 1 . . . . 61 ILE C . 16869 1 190 . 1 1 81 81 ILE CA C 13 65.207 0.200 . 1 . . . . 61 ILE CA . 16869 1 191 . 1 1 81 81 ILE N N 15 126.162 0.200 . 1 . . . . 61 ILE N . 16869 1 192 . 1 1 82 82 VAL H H 1 8.197 0.020 . 1 . . . . 62 VAL H . 16869 1 193 . 1 1 82 82 VAL C C 13 177.550 0.200 . 1 . . . . 62 VAL C . 16869 1 194 . 1 1 82 82 VAL CA C 13 65.566 0.200 . 1 . . . . 62 VAL CA . 16869 1 195 . 1 1 82 82 VAL CB C 13 31.171 0.200 . 1 . . . . 62 VAL CB . 16869 1 196 . 1 1 82 82 VAL N N 15 114.823 0.200 . 1 . . . . 62 VAL N . 16869 1 197 . 1 1 83 83 GLU H H 1 6.726 0.020 . 1 . . . . 63 GLU H . 16869 1 198 . 1 1 83 83 GLU C C 13 178.887 0.200 . 1 . . . . 63 GLU C . 16869 1 199 . 1 1 83 83 GLU CA C 13 58.234 0.200 . 1 . . . . 63 GLU CA . 16869 1 200 . 1 1 83 83 GLU CB C 13 29.315 0.200 . 1 . . . . 63 GLU CB . 16869 1 201 . 1 1 83 83 GLU N N 15 118.162 0.200 . 1 . . . . 63 GLU N . 16869 1 202 . 1 1 84 84 ALA H H 1 7.905 0.020 . 1 . . . . 64 ALA H . 16869 1 203 . 1 1 84 84 ALA CA C 13 55.616 0.200 . 1 . . . . 64 ALA CA . 16869 1 204 . 1 1 84 84 ALA N N 15 123.004 0.200 . 1 . . . . 64 ALA N . 16869 1 205 . 1 1 85 85 LYS C C 13 177.804 0.200 . 1 . . . . 65 LYS C . 16869 1 206 . 1 1 85 85 LYS CB C 13 32.368 0.200 . 1 . . . . 65 LYS CB . 16869 1 207 . 1 1 86 86 LYS H H 1 7.011 0.020 . 1 . . . . 66 LYS H . 16869 1 208 . 1 1 86 86 LYS C C 13 178.043 0.200 . 1 . . . . 66 LYS C . 16869 1 209 . 1 1 86 86 LYS CA C 13 58.640 0.200 . 1 . . . . 66 LYS CA . 16869 1 210 . 1 1 86 86 LYS CB C 13 32.376 0.200 . 1 . . . . 66 LYS CB . 16869 1 211 . 1 1 86 86 LYS N N 15 116.782 0.200 . 1 . . . . 66 LYS N . 16869 1 212 . 1 1 87 87 ILE H H 1 7.173 0.020 . 1 . . . . 67 ILE H . 16869 1 213 . 1 1 87 87 ILE C C 13 175.902 0.200 . 1 . . . . 67 ILE C . 16869 1 214 . 1 1 87 87 ILE CA C 13 63.377 0.200 . 1 . . . . 67 ILE CA . 16869 1 215 . 1 1 87 87 ILE CB C 13 39.363 0.200 . 1 . . . . 67 ILE CB . 16869 1 216 . 1 1 87 87 ILE N N 15 116.935 0.200 . 1 . . . . 67 ILE N . 16869 1 217 . 1 1 88 88 LEU H H 1 8.449 0.020 . 1 . . . . 68 LEU H . 16869 1 218 . 1 1 88 88 LEU CA C 13 51.323 0.200 . 1 . . . . 68 LEU CA . 16869 1 219 . 1 1 88 88 LEU N N 15 118.758 0.200 . 1 . . . . 68 LEU N . 16869 1 220 . 1 1 90 90 ASN C C 13 175.896 0.200 . 1 . . . . 70 ASN C . 16869 1 221 . 1 1 90 90 ASN CB C 13 38.858 0.200 . 1 . . . . 70 ASN CB . 16869 1 222 . 1 1 91 91 ALA H H 1 8.942 0.020 . 1 . . . . 71 ALA H . 16869 1 223 . 1 1 91 91 ALA C C 13 173.888 0.200 . 1 . . . . 71 ALA C . 16869 1 224 . 1 1 91 91 ALA CA C 13 51.425 0.200 . 1 . . . . 71 ALA CA . 16869 1 225 . 1 1 91 91 ALA CB C 13 18.817 0.200 . 1 . . . . 71 ALA CB . 16869 1 226 . 1 1 91 91 ALA N N 15 124.897 0.200 . 1 . . . . 71 ALA N . 16869 1 227 . 1 1 92 92 VAL H H 1 7.866 0.020 . 1 . . . . 72 VAL H . 16869 1 228 . 1 1 92 92 VAL C C 13 174.276 0.200 . 1 . . . . 72 VAL C . 16869 1 229 . 1 1 92 92 VAL CA C 13 62.718 0.200 . 1 . . . . 72 VAL CA . 16869 1 230 . 1 1 92 92 VAL N N 15 119.374 0.200 . 1 . . . . 72 VAL N . 16869 1 231 . 1 1 93 93 TYR H H 1 8.306 0.020 . 1 . . . . 73 TYR H . 16869 1 232 . 1 1 93 93 TYR CA C 13 57.741 0.200 . 1 . . . . 73 TYR CA . 16869 1 233 . 1 1 93 93 TYR N N 15 126.984 0.200 . 1 . . . . 73 TYR N . 16869 1 234 . 1 1 99 99 GLU C C 13 179.282 0.200 . 1 . . . . 79 GLU C . 16869 1 235 . 1 1 99 99 GLU CB C 13 28.263 0.200 . 1 . . . . 79 GLU CB . 16869 1 236 . 1 1 100 100 VAL H H 1 6.857 0.020 . 1 . . . . 80 VAL H . 16869 1 237 . 1 1 100 100 VAL C C 13 178.135 0.200 . 1 . . . . 80 VAL C . 16869 1 238 . 1 1 100 100 VAL CA C 13 65.536 0.200 . 1 . . . . 80 VAL CA . 16869 1 239 . 1 1 100 100 VAL CB C 13 30.855 0.200 . 1 . . . . 80 VAL CB . 16869 1 240 . 1 1 100 100 VAL N N 15 119.678 0.200 . 1 . . . . 80 VAL N . 16869 1 241 . 1 1 101 101 TYR H H 1 6.890 0.020 . 1 . . . . 81 TYR H . 16869 1 242 . 1 1 101 101 TYR C C 13 179.053 0.200 . 1 . . . . 81 TYR C . 16869 1 243 . 1 1 101 101 TYR CA C 13 57.796 0.200 . 1 . . . . 81 TYR CA . 16869 1 244 . 1 1 101 101 TYR CB C 13 36.102 0.200 . 1 . . . . 81 TYR CB . 16869 1 245 . 1 1 101 101 TYR N N 15 119.697 0.200 . 1 . . . . 81 TYR N . 16869 1 246 . 1 1 102 102 GLN H H 1 8.798 0.020 . 1 . . . . 82 GLN H . 16869 1 247 . 1 1 102 102 GLN C C 13 180.643 0.200 . 1 . . . . 82 GLN C . 16869 1 248 . 1 1 102 102 GLN CA C 13 59.076 0.200 . 1 . . . . 82 GLN CA . 16869 1 249 . 1 1 102 102 GLN CB C 13 28.371 0.200 . 1 . . . . 82 GLN CB . 16869 1 250 . 1 1 102 102 GLN N N 15 117.703 0.200 . 1 . . . . 82 GLN N . 16869 1 251 . 1 1 103 103 GLN H H 1 7.650 0.020 . 1 . . . . 83 GLN H . 16869 1 252 . 1 1 103 103 GLN C C 13 178.800 0.200 . 1 . . . . 83 GLN C . 16869 1 253 . 1 1 103 103 GLN CA C 13 58.978 0.200 . 1 . . . . 83 GLN CA . 16869 1 254 . 1 1 103 103 GLN CB C 13 27.926 0.200 . 1 . . . . 83 GLN CB . 16869 1 255 . 1 1 103 103 GLN N N 15 120.091 0.200 . 1 . . . . 83 GLN N . 16869 1 256 . 1 1 104 104 VAL H H 1 7.729 0.020 . 1 . . . . 84 VAL H . 16869 1 257 . 1 1 104 104 VAL C C 13 177.751 0.200 . 1 . . . . 84 VAL C . 16869 1 258 . 1 1 104 104 VAL CA C 13 67.018 0.200 . 1 . . . . 84 VAL CA . 16869 1 259 . 1 1 104 104 VAL CB C 13 31.750 0.200 . 1 . . . . 84 VAL CB . 16869 1 260 . 1 1 104 104 VAL N N 15 118.682 0.200 . 1 . . . . 84 VAL N . 16869 1 261 . 1 1 105 105 SER H H 1 8.606 0.020 . 1 . . . . 85 SER H . 16869 1 262 . 1 1 105 105 SER C C 13 176.921 0.200 . 1 . . . . 85 SER C . 16869 1 263 . 1 1 105 105 SER CA C 13 61.877 0.200 . 1 . . . . 85 SER CA . 16869 1 264 . 1 1 105 105 SER CB C 13 63.401 0.200 . 1 . . . . 85 SER CB . 16869 1 265 . 1 1 105 105 SER N N 15 111.786 0.200 . 1 . . . . 85 SER N . 16869 1 266 . 1 1 106 106 SER H H 1 8.622 0.020 . 1 . . . . 86 SER H . 16869 1 267 . 1 1 106 106 SER C C 13 176.814 0.200 . 1 . . . . 86 SER C . 16869 1 268 . 1 1 106 106 SER CA C 13 62.491 0.200 . 1 . . . . 86 SER CA . 16869 1 269 . 1 1 106 106 SER N N 15 112.824 0.200 . 1 . . . . 86 SER N . 16869 1 270 . 1 1 107 107 ARG H H 1 7.508 0.020 . 1 . . . . 87 ARG H . 16869 1 271 . 1 1 107 107 ARG C C 13 180.317 0.200 . 1 . . . . 87 ARG C . 16869 1 272 . 1 1 107 107 ARG CA C 13 61.019 0.200 . 1 . . . . 87 ARG CA . 16869 1 273 . 1 1 107 107 ARG CB C 13 30.521 0.200 . 1 . . . . 87 ARG CB . 16869 1 274 . 1 1 107 107 ARG N N 15 119.546 0.200 . 1 . . . . 87 ARG N . 16869 1 275 . 1 1 108 108 ILE H H 1 8.095 0.020 . 1 . . . . 88 ILE H . 16869 1 276 . 1 1 108 108 ILE C C 13 178.011 0.200 . 1 . . . . 88 ILE C . 16869 1 277 . 1 1 108 108 ILE CA C 13 66.481 0.200 . 1 . . . . 88 ILE CA . 16869 1 278 . 1 1 108 108 ILE N N 15 121.529 0.200 . 1 . . . . 88 ILE N . 16869 1 279 . 1 1 109 109 MET H H 1 9.320 0.020 . 1 . . . . 89 MET H . 16869 1 280 . 1 1 109 109 MET C C 13 179.078 0.200 . 1 . . . . 89 MET C . 16869 1 281 . 1 1 109 109 MET CA C 13 58.242 0.200 . 1 . . . . 89 MET CA . 16869 1 282 . 1 1 109 109 MET CB C 13 30.333 0.200 . 1 . . . . 89 MET CB . 16869 1 283 . 1 1 109 109 MET N N 15 118.223 0.200 . 1 . . . . 89 MET N . 16869 1 284 . 1 1 110 110 ASN H H 1 7.794 0.020 . 1 . . . . 90 ASN H . 16869 1 285 . 1 1 110 110 ASN C C 13 177.855 0.200 . 1 . . . . 90 ASN C . 16869 1 286 . 1 1 110 110 ASN CA C 13 56.184 0.200 . 1 . . . . 90 ASN CA . 16869 1 287 . 1 1 110 110 ASN CB C 13 37.983 0.200 . 1 . . . . 90 ASN CB . 16869 1 288 . 1 1 110 110 ASN N N 15 115.757 0.200 . 1 . . . . 90 ASN N . 16869 1 289 . 1 1 111 111 LEU H H 1 7.553 0.020 . 1 . . . . 91 LEU H . 16869 1 290 . 1 1 111 111 LEU C C 13 178.882 0.200 . 1 . . . . 91 LEU C . 16869 1 291 . 1 1 111 111 LEU CA C 13 58.340 0.200 . 1 . . . . 91 LEU CA . 16869 1 292 . 1 1 111 111 LEU CB C 13 41.220 0.200 . 1 . . . . 91 LEU CB . 16869 1 293 . 1 1 111 111 LEU N N 15 122.871 0.200 . 1 . . . . 91 LEU N . 16869 1 294 . 1 1 112 112 LEU H H 1 7.727 0.020 . 1 . . . . 92 LEU H . 16869 1 295 . 1 1 112 112 LEU CA C 13 57.818 0.200 . 1 . . . . 92 LEU CA . 16869 1 296 . 1 1 112 112 LEU N N 15 117.548 0.200 . 1 . . . . 92 LEU N . 16869 1 297 . 1 1 113 113 ARG C C 13 177.268 0.200 . 1 . . . . 93 ARG C . 16869 1 298 . 1 1 113 113 ARG CB C 13 30.088 0.200 . 1 . . . . 93 ARG CB . 16869 1 299 . 1 1 114 114 GLU H H 1 7.396 0.020 . 1 . . . . 94 GLU H . 16869 1 300 . 1 1 114 114 GLU C C 13 178.994 0.200 . 1 . . . . 94 GLU C . 16869 1 301 . 1 1 114 114 GLU CA C 13 58.326 0.200 . 1 . . . . 94 GLU CA . 16869 1 302 . 1 1 114 114 GLU CB C 13 29.081 0.200 . 1 . . . . 94 GLU CB . 16869 1 303 . 1 1 114 114 GLU N N 15 116.225 0.200 . 1 . . . . 94 GLU N . 16869 1 304 . 1 1 115 115 TYR H H 1 7.757 0.020 . 1 . . . . 95 TYR H . 16869 1 305 . 1 1 115 115 TYR C C 13 176.384 0.200 . 1 . . . . 95 TYR C . 16869 1 306 . 1 1 115 115 TYR CA C 13 60.880 0.200 . 1 . . . . 95 TYR CA . 16869 1 307 . 1 1 115 115 TYR CB C 13 39.465 0.200 . 1 . . . . 95 TYR CB . 16869 1 308 . 1 1 115 115 TYR N N 15 116.412 0.200 . 1 . . . . 95 TYR N . 16869 1 309 . 1 1 116 116 SER H H 1 7.205 0.020 . 1 . . . . 96 SER H . 16869 1 310 . 1 1 116 116 SER CA C 13 58.006 0.200 . 1 . . . . 96 SER CA . 16869 1 311 . 1 1 116 116 SER N N 15 108.963 0.200 . 1 . . . . 96 SER N . 16869 1 312 . 1 1 117 117 GLU C C 13 177.367 0.200 . 1 . . . . 97 GLU C . 16869 1 313 . 1 1 117 117 GLU CB C 13 29.296 0.200 . 1 . . . . 97 GLU CB . 16869 1 314 . 1 1 118 118 LYS H H 1 8.191 0.020 . 1 . . . . 98 LYS H . 16869 1 315 . 1 1 118 118 LYS C C 13 173.785 0.200 . 1 . . . . 98 LYS C . 16869 1 316 . 1 1 118 118 LYS CA C 13 55.399 0.200 . 1 . . . . 98 LYS CA . 16869 1 317 . 1 1 118 118 LYS CB C 13 31.783 0.200 . 1 . . . . 98 LYS CB . 16869 1 318 . 1 1 118 118 LYS N N 15 123.233 0.200 . 1 . . . . 98 LYS N . 16869 1 319 . 1 1 119 119 ILE H H 1 7.577 0.020 . 1 . . . . 99 ILE H . 16869 1 320 . 1 1 119 119 ILE C C 13 173.788 0.200 . 1 . . . . 99 ILE C . 16869 1 321 . 1 1 119 119 ILE CA C 13 58.564 0.200 . 1 . . . . 99 ILE CA . 16869 1 322 . 1 1 119 119 ILE N N 15 121.312 0.200 . 1 . . . . 99 ILE N . 16869 1 323 . 1 1 120 120 GLU H H 1 9.267 0.020 . 1 . . . . 100 GLU H . 16869 1 324 . 1 1 120 120 GLU C C 13 175.146 0.200 . 1 . . . . 100 GLU C . 16869 1 325 . 1 1 120 120 GLU CA C 13 54.761 0.200 . 1 . . . . 100 GLU CA . 16869 1 326 . 1 1 120 120 GLU CB C 13 32.180 0.200 . 1 . . . . 100 GLU CB . 16869 1 327 . 1 1 120 120 GLU N N 15 128.802 0.200 . 1 . . . . 100 GLU N . 16869 1 328 . 1 1 121 121 ILE H H 1 8.813 0.020 . 1 . . . . 101 ILE H . 16869 1 329 . 1 1 121 121 ILE C C 13 174.736 0.200 . 1 . . . . 101 ILE C . 16869 1 330 . 1 1 121 121 ILE CA C 13 62.096 0.200 . 1 . . . . 101 ILE CA . 16869 1 331 . 1 1 121 121 ILE N N 15 128.982 0.200 . 1 . . . . 101 ILE N . 16869 1 332 . 1 1 122 122 ALA H H 1 9.760 0.020 . 1 . . . . 102 ALA H . 16869 1 333 . 1 1 122 122 ALA CA C 13 52.550 0.200 . 1 . . . . 102 ALA CA . 16869 1 334 . 1 1 122 122 ALA N N 15 118.763 0.200 . 1 . . . . 102 ALA N . 16869 1 335 . 1 1 123 123 SER C C 13 177.562 0.200 . 1 . . . . 103 SER C . 16869 1 336 . 1 1 124 124 ILE H H 1 7.944 0.020 . 1 . . . . 104 ILE H . 16869 1 337 . 1 1 124 124 ILE C C 13 173.582 0.200 . 1 . . . . 104 ILE C . 16869 1 338 . 1 1 124 124 ILE CA C 13 62.497 0.200 . 1 . . . . 104 ILE CA . 16869 1 339 . 1 1 124 124 ILE CB C 13 38.833 0.200 . 1 . . . . 104 ILE CB . 16869 1 340 . 1 1 124 124 ILE N N 15 117.923 0.200 . 1 . . . . 104 ILE N . 16869 1 341 . 1 1 125 125 ASP H H 1 7.998 0.020 . 1 . . . . 105 ASP H . 16869 1 342 . 1 1 125 125 ASP C C 13 173.316 0.200 . 1 . . . . 105 ASP C . 16869 1 343 . 1 1 125 125 ASP CA C 13 50.709 0.200 . 1 . . . . 105 ASP CA . 16869 1 344 . 1 1 125 125 ASP CB C 13 41.067 0.200 . 1 . . . . 105 ASP CB . 16869 1 345 . 1 1 125 125 ASP N N 15 116.191 0.200 . 1 . . . . 105 ASP N . 16869 1 346 . 1 1 126 126 GLU H H 1 6.340 0.020 . 1 . . . . 106 GLU H . 16869 1 347 . 1 1 126 126 GLU C C 13 174.827 0.200 . 1 . . . . 106 GLU C . 16869 1 348 . 1 1 126 126 GLU CA C 13 55.027 0.200 . 1 . . . . 106 GLU CA . 16869 1 349 . 1 1 126 126 GLU CB C 13 30.841 0.200 . 1 . . . . 106 GLU CB . 16869 1 350 . 1 1 126 126 GLU N N 15 113.998 0.200 . 1 . . . . 106 GLU N . 16869 1 351 . 1 1 127 127 ALA H H 1 8.060 0.020 . 1 . . . . 107 ALA H . 16869 1 352 . 1 1 127 127 ALA C C 13 174.311 0.200 . 1 . . . . 107 ALA C . 16869 1 353 . 1 1 127 127 ALA CA C 13 51.064 0.200 . 1 . . . . 107 ALA CA . 16869 1 354 . 1 1 127 127 ALA CB C 13 23.188 0.200 . 1 . . . . 107 ALA CB . 16869 1 355 . 1 1 127 127 ALA N N 15 122.213 0.200 . 1 . . . . 107 ALA N . 16869 1 356 . 1 1 128 128 TYR H H 1 8.948 0.020 . 1 . . . . 108 TYR H . 16869 1 357 . 1 1 128 128 TYR C C 13 175.135 0.200 . 1 . . . . 108 TYR C . 16869 1 358 . 1 1 128 128 TYR CA C 13 57.278 0.200 . 1 . . . . 108 TYR CA . 16869 1 359 . 1 1 128 128 TYR CB C 13 41.435 0.200 . 1 . . . . 108 TYR CB . 16869 1 360 . 1 1 128 128 TYR N N 15 116.594 0.200 . 1 . . . . 108 TYR N . 16869 1 361 . 1 1 129 129 LEU H H 1 10.001 0.020 . 1 . . . . 109 LEU H . 16869 1 362 . 1 1 129 129 LEU C C 13 175.339 0.200 . 1 . . . . 109 LEU C . 16869 1 363 . 1 1 129 129 LEU CA C 13 54.940 0.200 . 1 . . . . 109 LEU CA . 16869 1 364 . 1 1 129 129 LEU CB C 13 45.242 0.200 . 1 . . . . 109 LEU CB . 16869 1 365 . 1 1 129 129 LEU N N 15 123.803 0.200 . 1 . . . . 109 LEU N . 16869 1 366 . 1 1 130 130 ASP H H 1 8.268 0.020 . 1 . . . . 110 ASP H . 16869 1 367 . 1 1 130 130 ASP C C 13 178.594 0.200 . 1 . . . . 110 ASP C . 16869 1 368 . 1 1 130 130 ASP CA C 13 53.883 0.200 . 1 . . . . 110 ASP CA . 16869 1 369 . 1 1 130 130 ASP N N 15 122.390 0.200 . 1 . . . . 110 ASP N . 16869 1 370 . 1 1 131 131 ILE H H 1 8.235 0.020 . 1 . . . . 111 ILE H . 16869 1 371 . 1 1 131 131 ILE C C 13 176.249 0.200 . 1 . . . . 111 ILE C . 16869 1 372 . 1 1 131 131 ILE CA C 13 60.779 0.200 . 1 . . . . 111 ILE CA . 16869 1 373 . 1 1 131 131 ILE CB C 13 40.128 0.200 . 1 . . . . 111 ILE CB . 16869 1 374 . 1 1 131 131 ILE N N 15 120.197 0.200 . 1 . . . . 111 ILE N . 16869 1 375 . 1 1 132 132 SER H H 1 8.841 0.020 . 1 . . . . 112 SER H . 16869 1 376 . 1 1 132 132 SER CA C 13 62.684 0.200 . 1 . . . . 112 SER CA . 16869 1 377 . 1 1 132 132 SER N N 15 119.608 0.200 . 1 . . . . 112 SER N . 16869 1 378 . 1 1 133 133 ASP C C 13 176.385 0.200 . 1 . . . . 113 ASP C . 16869 1 379 . 1 1 133 133 ASP CB C 13 40.697 0.200 . 1 . . . . 113 ASP CB . 16869 1 380 . 1 1 134 134 LYS H H 1 7.862 0.020 . 1 . . . . 114 LYS H . 16869 1 381 . 1 1 134 134 LYS C C 13 176.240 0.200 . 1 . . . . 114 LYS C . 16869 1 382 . 1 1 134 134 LYS CA C 13 55.520 0.200 . 1 . . . . 114 LYS CA . 16869 1 383 . 1 1 134 134 LYS CB C 13 34.365 0.200 . 1 . . . . 114 LYS CB . 16869 1 384 . 1 1 134 134 LYS N N 15 116.872 0.200 . 1 . . . . 114 LYS N . 16869 1 385 . 1 1 135 135 VAL H H 1 7.263 0.020 . 1 . . . . 115 VAL H . 16869 1 386 . 1 1 135 135 VAL C C 13 174.887 0.200 . 1 . . . . 115 VAL C . 16869 1 387 . 1 1 135 135 VAL CA C 13 58.293 0.200 . 1 . . . . 115 VAL CA . 16869 1 388 . 1 1 135 135 VAL N N 15 108.792 0.200 . 1 . . . . 115 VAL N . 16869 1 389 . 1 1 136 136 ARG H H 1 8.899 0.020 . 1 . . . . 116 ARG H . 16869 1 390 . 1 1 136 136 ARG C C 13 176.240 0.200 . 1 . . . . 116 ARG C . 16869 1 391 . 1 1 136 136 ARG CA C 13 56.800 0.200 . 1 . . . . 116 ARG CA . 16869 1 392 . 1 1 136 136 ARG CB C 13 31.674 0.200 . 1 . . . . 116 ARG CB . 16869 1 393 . 1 1 136 136 ARG N N 15 118.166 0.200 . 1 . . . . 116 ARG N . 16869 1 394 . 1 1 137 137 ASP H H 1 7.247 0.020 . 1 . . . . 117 ASP H . 16869 1 395 . 1 1 137 137 ASP CA C 13 52.609 0.200 . 1 . . . . 117 ASP CA . 16869 1 396 . 1 1 137 137 ASP N N 15 113.359 0.200 . 1 . . . . 117 ASP N . 16869 1 397 . 1 1 138 138 TYR C C 13 178.144 0.200 . 1 . . . . 118 TYR C . 16869 1 398 . 1 1 138 138 TYR CB C 13 38.433 0.200 . 1 . . . . 118 TYR CB . 16869 1 399 . 1 1 139 139 ARG H H 1 8.191 0.020 . 1 . . . . 119 ARG H . 16869 1 400 . 1 1 139 139 ARG C C 13 179.210 0.200 . 1 . . . . 119 ARG C . 16869 1 401 . 1 1 139 139 ARG CA C 13 59.557 0.200 . 1 . . . . 119 ARG CA . 16869 1 402 . 1 1 139 139 ARG CB C 13 28.898 0.200 . 1 . . . . 119 ARG CB . 16869 1 403 . 1 1 139 139 ARG N N 15 123.575 0.200 . 1 . . . . 119 ARG N . 16869 1 404 . 1 1 140 140 GLU H H 1 8.699 0.020 . 1 . . . . 120 GLU H . 16869 1 405 . 1 1 140 140 GLU C C 13 180.507 0.200 . 1 . . . . 120 GLU C . 16869 1 406 . 1 1 140 140 GLU CA C 13 59.624 0.200 . 1 . . . . 120 GLU CA . 16869 1 407 . 1 1 140 140 GLU CB C 13 30.258 0.200 . 1 . . . . 120 GLU CB . 16869 1 408 . 1 1 140 140 GLU N N 15 120.173 0.200 . 1 . . . . 120 GLU N . 16869 1 409 . 1 1 141 141 ALA H H 1 8.110 0.020 . 1 . . . . 121 ALA H . 16869 1 410 . 1 1 141 141 ALA C C 13 177.470 0.200 . 1 . . . . 121 ALA C . 16869 1 411 . 1 1 141 141 ALA CA C 13 55.631 0.200 . 1 . . . . 121 ALA CA . 16869 1 412 . 1 1 141 141 ALA CB C 13 19.654 0.200 . 1 . . . . 121 ALA CB . 16869 1 413 . 1 1 141 141 ALA N N 15 120.597 0.200 . 1 . . . . 121 ALA N . 16869 1 414 . 1 1 142 142 TYR H H 1 8.284 0.020 . 1 . . . . 122 TYR H . 16869 1 415 . 1 1 142 142 TYR C C 13 176.249 0.200 . 1 . . . . 122 TYR C . 16869 1 416 . 1 1 142 142 TYR CA C 13 61.884 0.200 . 1 . . . . 122 TYR CA . 16869 1 417 . 1 1 142 142 TYR CB C 13 38.154 0.200 . 1 . . . . 122 TYR CB . 16869 1 418 . 1 1 142 142 TYR N N 15 119.691 0.200 . 1 . . . . 122 TYR N . 16869 1 419 . 1 1 143 143 ASN H H 1 7.732 0.020 . 1 . . . . 123 ASN H . 16869 1 420 . 1 1 143 143 ASN C C 13 178.258 0.200 . 1 . . . . 123 ASN C . 16869 1 421 . 1 1 143 143 ASN CA C 13 56.330 0.200 . 1 . . . . 123 ASN CA . 16869 1 422 . 1 1 143 143 ASN CB C 13 37.848 0.200 . 1 . . . . 123 ASN CB . 16869 1 423 . 1 1 143 143 ASN N N 15 116.731 0.200 . 1 . . . . 123 ASN N . 16869 1 424 . 1 1 144 144 LEU H H 1 8.049 0.020 . 1 . . . . 124 LEU H . 16869 1 425 . 1 1 144 144 LEU C C 13 178.485 0.200 . 1 . . . . 124 LEU C . 16869 1 426 . 1 1 144 144 LEU CA C 13 57.921 0.200 . 1 . . . . 124 LEU CA . 16869 1 427 . 1 1 144 144 LEU CB C 13 42.022 0.200 . 1 . . . . 124 LEU CB . 16869 1 428 . 1 1 144 144 LEU N N 15 123.438 0.200 . 1 . . . . 124 LEU N . 16869 1 429 . 1 1 145 145 GLY H H 1 8.614 0.020 . 1 . . . . 125 GLY H . 16869 1 430 . 1 1 145 145 GLY C C 13 174.739 0.200 . 1 . . . . 125 GLY C . 16869 1 431 . 1 1 145 145 GLY CA C 13 47.934 0.200 . 1 . . . . 125 GLY CA . 16869 1 432 . 1 1 145 145 GLY N N 15 106.675 0.200 . 1 . . . . 125 GLY N . 16869 1 433 . 1 1 146 146 LEU H H 1 7.970 0.020 . 1 . . . . 126 LEU H . 16869 1 434 . 1 1 146 146 LEU C C 13 178.809 0.200 . 1 . . . . 126 LEU C . 16869 1 435 . 1 1 146 146 LEU CA C 13 57.870 0.200 . 1 . . . . 126 LEU CA . 16869 1 436 . 1 1 146 146 LEU N N 15 121.116 0.200 . 1 . . . . 126 LEU N . 16869 1 437 . 1 1 147 147 GLU H H 1 7.652 0.020 . 1 . . . . 127 GLU H . 16869 1 438 . 1 1 147 147 GLU C C 13 178.879 0.200 . 1 . . . . 127 GLU C . 16869 1 439 . 1 1 147 147 GLU CA C 13 60.016 0.200 . 1 . . . . 127 GLU CA . 16869 1 440 . 1 1 147 147 GLU N N 15 121.284 0.200 . 1 . . . . 127 GLU N . 16869 1 441 . 1 1 148 148 ILE H H 1 8.235 0.020 . 1 . . . . 128 ILE H . 16869 1 442 . 1 1 148 148 ILE C C 13 177.562 0.200 . 1 . . . . 128 ILE C . 16869 1 443 . 1 1 148 148 ILE CA C 13 66.283 0.200 . 1 . . . . 128 ILE CA . 16869 1 444 . 1 1 148 148 ILE N N 15 120.197 0.200 . 1 . . . . 128 ILE N . 16869 1 445 . 1 1 149 149 LYS H H 1 7.933 0.020 . 1 . . . . 129 LYS H . 16869 1 446 . 1 1 149 149 LYS C C 13 175.668 0.200 . 1 . . . . 129 LYS C . 16869 1 447 . 1 1 149 149 LYS CA C 13 60.048 0.200 . 1 . . . . 129 LYS CA . 16869 1 448 . 1 1 149 149 LYS CB C 13 31.167 0.200 . 1 . . . . 129 LYS CB . 16869 1 449 . 1 1 149 149 LYS N N 15 117.923 0.200 . 1 . . . . 129 LYS N . 16869 1 450 . 1 1 150 150 ASN H H 1 8.357 0.020 . 1 . . . . 130 ASN H . 16869 1 451 . 1 1 150 150 ASN C C 13 177.375 0.200 . 1 . . . . 130 ASN C . 16869 1 452 . 1 1 150 150 ASN CA C 13 56.406 0.200 . 1 . . . . 130 ASN CA . 16869 1 453 . 1 1 150 150 ASN CB C 13 37.992 0.200 . 1 . . . . 130 ASN CB . 16869 1 454 . 1 1 150 150 ASN N N 15 118.573 0.200 . 1 . . . . 130 ASN N . 16869 1 455 . 1 1 151 151 LYS H H 1 8.631 0.020 . 1 . . . . 131 LYS H . 16869 1 456 . 1 1 151 151 LYS C C 13 179.782 0.200 . 1 . . . . 131 LYS C . 16869 1 457 . 1 1 151 151 LYS CA C 13 58.982 0.200 . 1 . . . . 131 LYS CA . 16869 1 458 . 1 1 151 151 LYS CB C 13 31.742 0.200 . 1 . . . . 131 LYS CB . 16869 1 459 . 1 1 151 151 LYS N N 15 122.565 0.200 . 1 . . . . 131 LYS N . 16869 1 460 . 1 1 152 152 ILE H H 1 8.234 0.020 . 1 . . . . 132 ILE H . 16869 1 461 . 1 1 152 152 ILE C C 13 178.376 0.200 . 1 . . . . 132 ILE C . 16869 1 462 . 1 1 152 152 ILE CA C 13 66.397 0.200 . 1 . . . . 132 ILE CA . 16869 1 463 . 1 1 152 152 ILE CB C 13 41.967 0.200 . 1 . . . . 132 ILE CB . 16869 1 464 . 1 1 152 152 ILE N N 15 118.702 0.200 . 1 . . . . 132 ILE N . 16869 1 465 . 1 1 153 153 LEU H H 1 7.652 0.020 . 1 . . . . 133 LEU H . 16869 1 466 . 1 1 153 153 LEU C C 13 179.977 0.200 . 1 . . . . 133 LEU C . 16869 1 467 . 1 1 153 153 LEU CA C 13 58.462 0.200 . 1 . . . . 133 LEU CA . 16869 1 468 . 1 1 153 153 LEU N N 15 121.284 0.200 . 1 . . . . 133 LEU N . 16869 1 469 . 1 1 154 154 GLU H H 1 8.284 0.020 . 1 . . . . 134 GLU H . 16869 1 470 . 1 1 154 154 GLU C C 13 178.320 0.200 . 1 . . . . 134 GLU C . 16869 1 471 . 1 1 154 154 GLU CA C 13 59.558 0.200 . 1 . . . . 134 GLU CA . 16869 1 472 . 1 1 154 154 GLU CB C 13 29.871 0.200 . 1 . . . . 134 GLU CB . 16869 1 473 . 1 1 154 154 GLU N N 15 119.429 0.200 . 1 . . . . 134 GLU N . 16869 1 474 . 1 1 155 155 LYS H H 1 8.197 0.020 . 1 . . . . 135 LYS H . 16869 1 475 . 1 1 155 155 LYS C C 13 178.229 0.200 . 1 . . . . 135 LYS C . 16869 1 476 . 1 1 155 155 LYS CA C 13 58.096 0.200 . 1 . . . . 135 LYS CA . 16869 1 477 . 1 1 155 155 LYS CB C 13 33.346 0.200 . 1 . . . . 135 LYS CB . 16869 1 478 . 1 1 155 155 LYS N N 15 114.823 0.200 . 1 . . . . 135 LYS N . 16869 1 479 . 1 1 156 156 GLU H H 1 8.199 0.020 . 1 . . . . 136 GLU H . 16869 1 480 . 1 1 156 156 GLU C C 13 175.690 0.200 . 1 . . . . 136 GLU C . 16869 1 481 . 1 1 156 156 GLU CA C 13 54.482 0.200 . 1 . . . . 136 GLU CA . 16869 1 482 . 1 1 156 156 GLU CB C 13 30.936 0.200 . 1 . . . . 136 GLU CB . 16869 1 483 . 1 1 156 156 GLU N N 15 113.621 0.200 . 1 . . . . 136 GLU N . 16869 1 484 . 1 1 157 157 LYS H H 1 7.660 0.020 . 1 . . . . 137 LYS H . 16869 1 485 . 1 1 157 157 LYS C C 13 173.742 0.200 . 1 . . . . 137 LYS C . 16869 1 486 . 1 1 157 157 LYS CA C 13 57.790 0.200 . 1 . . . . 137 LYS CA . 16869 1 487 . 1 1 157 157 LYS CB C 13 28.470 0.200 . 1 . . . . 137 LYS CB . 16869 1 488 . 1 1 157 157 LYS N N 15 112.554 0.200 . 1 . . . . 137 LYS N . 16869 1 489 . 1 1 158 158 ILE H H 1 6.283 0.020 . 1 . . . . 138 ILE H . 16869 1 490 . 1 1 158 158 ILE C C 13 175.489 0.200 . 1 . . . . 138 ILE C . 16869 1 491 . 1 1 158 158 ILE CA C 13 57.141 0.200 . 1 . . . . 138 ILE CA . 16869 1 492 . 1 1 158 158 ILE CB C 13 40.627 0.200 . 1 . . . . 138 ILE CB . 16869 1 493 . 1 1 158 158 ILE N N 15 114.121 0.200 . 1 . . . . 138 ILE N . 16869 1 494 . 1 1 159 159 THR H H 1 10.105 0.020 . 1 . . . . 139 THR H . 16869 1 495 . 1 1 159 159 THR C C 13 173.974 0.200 . 1 . . . . 139 THR C . 16869 1 496 . 1 1 159 159 THR CA C 13 61.485 0.200 . 1 . . . . 139 THR CA . 16869 1 497 . 1 1 159 159 THR N N 15 118.032 0.200 . 1 . . . . 139 THR N . 16869 1 498 . 1 1 160 160 VAL H H 1 7.430 0.020 . 1 . . . . 140 VAL H . 16869 1 499 . 1 1 160 160 VAL C C 13 173.630 0.200 . 1 . . . . 140 VAL C . 16869 1 500 . 1 1 160 160 VAL CA C 13 58.153 0.200 . 1 . . . . 140 VAL CA . 16869 1 501 . 1 1 160 160 VAL N N 15 112.460 0.200 . 1 . . . . 140 VAL N . 16869 1 502 . 1 1 161 161 THR H H 1 8.919 0.020 . 1 . . . . 141 THR H . 16869 1 503 . 1 1 161 161 THR C C 13 172.993 0.200 . 1 . . . . 141 THR C . 16869 1 504 . 1 1 161 161 THR CA C 13 62.238 0.200 . 1 . . . . 141 THR CA . 16869 1 505 . 1 1 161 161 THR CB C 13 70.457 0.200 . 1 . . . . 141 THR CB . 16869 1 506 . 1 1 161 161 THR N N 15 118.246 0.200 . 1 . . . . 141 THR N . 16869 1 507 . 1 1 162 162 VAL H H 1 7.728 0.020 . 1 . . . . 142 VAL H . 16869 1 508 . 1 1 162 162 VAL C C 13 174.537 0.200 . 1 . . . . 142 VAL C . 16869 1 509 . 1 1 162 162 VAL CA C 13 59.762 0.200 . 1 . . . . 142 VAL CA . 16869 1 510 . 1 1 162 162 VAL N N 15 125.273 0.200 . 1 . . . . 142 VAL N . 16869 1 511 . 1 1 163 163 GLY H H 1 9.402 0.020 . 1 . . . . 143 GLY H . 16869 1 512 . 1 1 163 163 GLY C C 13 173.086 0.200 . 1 . . . . 143 GLY C . 16869 1 513 . 1 1 163 163 GLY CA C 13 44.115 0.200 . 1 . . . . 143 GLY CA . 16869 1 514 . 1 1 163 163 GLY N N 15 114.250 0.200 . 1 . . . . 143 GLY N . 16869 1 515 . 1 1 164 164 ILE H H 1 8.560 0.020 . 1 . . . . 144 ILE H . 16869 1 516 . 1 1 164 164 ILE C C 13 175.709 0.200 . 1 . . . . 144 ILE C . 16869 1 517 . 1 1 164 164 ILE CA C 13 59.888 0.200 . 1 . . . . 144 ILE CA . 16869 1 518 . 1 1 164 164 ILE N N 15 123.634 0.200 . 1 . . . . 144 ILE N . 16869 1 519 . 1 1 165 165 SER H H 1 8.688 0.020 . 1 . . . . 145 SER H . 16869 1 520 . 1 1 165 165 SER C C 13 174.781 0.200 . 1 . . . . 145 SER C . 16869 1 521 . 1 1 165 165 SER CA C 13 57.406 0.200 . 1 . . . . 145 SER CA . 16869 1 522 . 1 1 165 165 SER CB C 13 63.488 0.200 . 1 . . . . 145 SER CB . 16869 1 523 . 1 1 165 165 SER N N 15 117.145 0.200 . 1 . . . . 145 SER N . 16869 1 524 . 1 1 166 166 LYS H H 1 8.812 0.020 . 1 . . . . 146 LYS H . 16869 1 525 . 1 1 166 166 LYS C C 13 174.729 0.200 . 1 . . . . 146 LYS C . 16869 1 526 . 1 1 166 166 LYS CA C 13 56.014 0.200 . 1 . . . . 146 LYS CA . 16869 1 527 . 1 1 166 166 LYS CB C 13 32.187 0.200 . 1 . . . . 146 LYS CB . 16869 1 528 . 1 1 166 166 LYS N N 15 116.190 0.200 . 1 . . . . 146 LYS N . 16869 1 529 . 1 1 167 167 ASN H H 1 7.567 0.020 . 1 . . . . 147 ASN H . 16869 1 530 . 1 1 167 167 ASN CA C 13 52.064 0.200 . 1 . . . . 147 ASN CA . 16869 1 531 . 1 1 167 167 ASN N N 15 110.535 0.200 . 1 . . . . 147 ASN N . 16869 1 532 . 1 1 168 168 LYS C C 13 177.439 0.200 . 1 . . . . 148 LYS C . 16869 1 533 . 1 1 168 168 LYS CB C 13 32.370 0.200 . 1 . . . . 148 LYS CB . 16869 1 534 . 1 1 169 169 VAL H H 1 7.171 0.020 . 1 . . . . 149 VAL H . 16869 1 535 . 1 1 169 169 VAL C C 13 177.742 0.200 . 1 . . . . 149 VAL C . 16869 1 536 . 1 1 169 169 VAL CA C 13 66.387 0.200 . 1 . . . . 149 VAL CA . 16869 1 537 . 1 1 169 169 VAL N N 15 118.508 0.200 . 1 . . . . 149 VAL N . 16869 1 538 . 1 1 170 170 PHE H H 1 8.097 0.020 . 1 . . . . 150 PHE H . 16869 1 539 . 1 1 170 170 PHE C C 13 177.535 0.200 . 1 . . . . 150 PHE C . 16869 1 540 . 1 1 170 170 PHE CA C 13 61.450 0.200 . 1 . . . . 150 PHE CA . 16869 1 541 . 1 1 170 170 PHE CB C 13 39.475 0.200 . 1 . . . . 150 PHE CB . 16869 1 542 . 1 1 170 170 PHE N N 15 115.169 0.200 . 1 . . . . 150 PHE N . 16869 1 543 . 1 1 171 171 ALA H H 1 7.924 0.020 . 1 . . . . 151 ALA H . 16869 1 544 . 1 1 171 171 ALA C C 13 177.923 0.200 . 1 . . . . 151 ALA C . 16869 1 545 . 1 1 171 171 ALA CA C 13 55.798 0.200 . 1 . . . . 151 ALA CA . 16869 1 546 . 1 1 171 171 ALA CB C 13 18.245 0.200 . 1 . . . . 151 ALA CB . 16869 1 547 . 1 1 171 171 ALA N N 15 122.989 0.200 . 1 . . . . 151 ALA N . 16869 1 548 . 1 1 172 172 LYS H H 1 7.312 0.020 . 1 . . . . 152 LYS H . 16869 1 549 . 1 1 172 172 LYS C C 13 178.145 0.200 . 1 . . . . 152 LYS C . 16869 1 550 . 1 1 172 172 LYS CA C 13 59.143 0.200 . 1 . . . . 152 LYS CA . 16869 1 551 . 1 1 172 172 LYS CB C 13 29.561 0.200 . 1 . . . . 152 LYS CB . 16869 1 552 . 1 1 172 172 LYS N N 15 119.107 0.200 . 1 . . . . 152 LYS N . 16869 1 553 . 1 1 173 173 ILE H H 1 7.791 0.020 . 1 . . . . 153 ILE H . 16869 1 554 . 1 1 173 173 ILE C C 13 177.579 0.200 . 1 . . . . 153 ILE C . 16869 1 555 . 1 1 173 173 ILE CA C 13 65.607 0.200 . 1 . . . . 153 ILE CA . 16869 1 556 . 1 1 173 173 ILE N N 15 119.479 0.200 . 1 . . . . 153 ILE N . 16869 1 557 . 1 1 174 174 ALA H H 1 8.057 0.020 . 1 . . . . 154 ALA H . 16869 1 558 . 1 1 174 174 ALA C C 13 178.435 0.200 . 1 . . . . 154 ALA C . 16869 1 559 . 1 1 174 174 ALA CA C 13 55.695 0.200 . 1 . . . . 154 ALA CA . 16869 1 560 . 1 1 174 174 ALA CB C 13 17.392 0.200 . 1 . . . . 154 ALA CB . 16869 1 561 . 1 1 174 174 ALA N N 15 120.188 0.200 . 1 . . . . 154 ALA N . 16869 1 562 . 1 1 175 175 ALA H H 1 7.484 0.020 . 1 . . . . 155 ALA H . 16869 1 563 . 1 1 175 175 ALA C C 13 179.698 0.200 . 1 . . . . 155 ALA C . 16869 1 564 . 1 1 175 175 ALA CA C 13 54.817 0.200 . 1 . . . . 155 ALA CA . 16869 1 565 . 1 1 175 175 ALA CB C 13 18.518 0.200 . 1 . . . . 155 ALA CB . 16869 1 566 . 1 1 175 175 ALA N N 15 118.230 0.200 . 1 . . . . 155 ALA N . 16869 1 567 . 1 1 176 176 ASP H H 1 8.558 0.020 . 1 . . . . 156 ASP H . 16869 1 568 . 1 1 176 176 ASP C C 13 179.350 0.200 . 1 . . . . 156 ASP C . 16869 1 569 . 1 1 176 176 ASP CA C 13 57.825 0.200 . 1 . . . . 156 ASP CA . 16869 1 570 . 1 1 176 176 ASP CB C 13 40.175 0.200 . 1 . . . . 156 ASP CB . 16869 1 571 . 1 1 176 176 ASP N N 15 119.153 0.200 . 1 . . . . 156 ASP N . 16869 1 572 . 1 1 177 177 MET H H 1 7.921 0.020 . 1 . . . . 157 MET H . 16869 1 573 . 1 1 177 177 MET C C 13 176.798 0.200 . 1 . . . . 157 MET C . 16869 1 574 . 1 1 177 177 MET CA C 13 57.983 0.200 . 1 . . . . 157 MET CA . 16869 1 575 . 1 1 177 177 MET CB C 13 33.560 0.200 . 1 . . . . 157 MET CB . 16869 1 576 . 1 1 177 177 MET N N 15 116.006 0.200 . 1 . . . . 157 MET N . 16869 1 577 . 1 1 178 178 ALA H H 1 7.594 0.020 . 1 . . . . 158 ALA H . 16869 1 578 . 1 1 178 178 ALA C C 13 176.112 0.200 . 1 . . . . 158 ALA C . 16869 1 579 . 1 1 178 178 ALA CA C 13 51.717 0.200 . 1 . . . . 158 ALA CA . 16869 1 580 . 1 1 178 178 ALA CB C 13 21.114 0.200 . 1 . . . . 158 ALA CB . 16869 1 581 . 1 1 178 178 ALA N N 15 121.549 0.200 . 1 . . . . 158 ALA N . 16869 1 582 . 1 1 179 179 LYS H H 1 7.278 0.020 . 1 . . . . 159 LYS H . 16869 1 583 . 1 1 179 179 LYS CA C 13 54.851 0.200 . 1 . . . . 159 LYS CA . 16869 1 584 . 1 1 179 179 LYS N N 15 118.152 0.200 . 1 . . . . 159 LYS N . 16869 1 585 . 1 1 181 181 ASN C C 13 176.533 0.200 . 1 . . . . 161 ASN C . 16869 1 586 . 1 1 181 181 ASN CB C 13 36.866 0.200 . 1 . . . . 161 ASN CB . 16869 1 587 . 1 1 182 182 GLY H H 1 7.840 0.020 . 1 . . . . 162 GLY H . 16869 1 588 . 1 1 182 182 GLY C C 13 174.025 0.200 . 1 . . . . 162 GLY C . 16869 1 589 . 1 1 182 182 GLY CA C 13 44.320 0.200 . 1 . . . . 162 GLY CA . 16869 1 590 . 1 1 182 182 GLY N N 15 105.527 0.200 . 1 . . . . 162 GLY N . 16869 1 591 . 1 1 183 183 ILE H H 1 8.240 0.020 . 1 . . . . 163 ILE H . 16869 1 592 . 1 1 183 183 ILE C C 13 172.854 0.200 . 1 . . . . 163 ILE C . 16869 1 593 . 1 1 183 183 ILE CA C 13 59.958 0.200 . 1 . . . . 163 ILE CA . 16869 1 594 . 1 1 183 183 ILE CB C 13 39.760 0.200 . 1 . . . . 163 ILE CB . 16869 1 595 . 1 1 183 183 ILE N N 15 117.370 0.200 . 1 . . . . 163 ILE N . 16869 1 596 . 1 1 184 184 LYS H H 1 8.186 0.020 . 1 . . . . 164 LYS H . 16869 1 597 . 1 1 184 184 LYS C C 13 173.143 0.200 . 1 . . . . 164 LYS C . 16869 1 598 . 1 1 184 184 LYS CA C 13 55.456 0.200 . 1 . . . . 164 LYS CA . 16869 1 599 . 1 1 184 184 LYS CB C 13 36.541 0.200 . 1 . . . . 164 LYS CB . 16869 1 600 . 1 1 184 184 LYS N N 15 127.270 0.200 . 1 . . . . 164 LYS N . 16869 1 601 . 1 1 185 185 VAL H H 1 8.611 0.020 . 1 . . . . 165 VAL H . 16869 1 602 . 1 1 185 185 VAL C C 13 175.972 0.200 . 1 . . . . 165 VAL C . 16869 1 603 . 1 1 185 185 VAL CA C 13 60.046 0.200 . 1 . . . . 165 VAL CA . 16869 1 604 . 1 1 185 185 VAL CB C 13 27.551 0.200 . 1 . . . . 165 VAL CB . 16869 1 605 . 1 1 185 185 VAL N N 15 126.362 0.200 . 1 . . . . 165 VAL N . 16869 1 606 . 1 1 186 186 ILE H H 1 8.595 0.020 . 1 . . . . 166 ILE H . 16869 1 607 . 1 1 186 186 ILE C C 13 174.618 0.200 . 1 . . . . 166 ILE C . 16869 1 608 . 1 1 186 186 ILE CA C 13 61.107 0.200 . 1 . . . . 166 ILE CA . 16869 1 609 . 1 1 186 186 ILE N N 15 127.415 0.200 . 1 . . . . 166 ILE N . 16869 1 610 . 1 1 187 187 ASP H H 1 8.375 0.020 . 1 . . . . 167 ASP H . 16869 1 611 . 1 1 187 187 ASP C C 13 175.038 0.200 . 1 . . . . 167 ASP C . 16869 1 612 . 1 1 187 187 ASP CA C 13 52.500 0.200 . 1 . . . . 167 ASP CA . 16869 1 613 . 1 1 187 187 ASP CB C 13 37.898 0.200 . 1 . . . . 167 ASP CB . 16869 1 614 . 1 1 187 187 ASP N N 15 127.979 0.200 . 1 . . . . 167 ASP N . 16869 1 615 . 1 1 188 188 ASP H H 1 6.776 0.020 . 1 . . . . 168 ASP H . 16869 1 616 . 1 1 188 188 ASP C C 13 178.823 0.200 . 1 . . . . 168 ASP C . 16869 1 617 . 1 1 188 188 ASP CA C 13 51.440 0.200 . 1 . . . . 168 ASP CA . 16869 1 618 . 1 1 188 188 ASP CB C 13 40.611 0.200 . 1 . . . . 168 ASP CB . 16869 1 619 . 1 1 188 188 ASP N N 15 119.743 0.200 . 1 . . . . 168 ASP N . 16869 1 620 . 1 1 189 189 GLU H H 1 7.829 0.020 . 1 . . . . 169 GLU H . 16869 1 621 . 1 1 189 189 GLU C C 13 178.982 0.200 . 1 . . . . 169 GLU C . 16869 1 622 . 1 1 189 189 GLU CA C 13 58.970 0.200 . 1 . . . . 169 GLU CA . 16869 1 623 . 1 1 189 189 GLU CB C 13 29.161 0.200 . 1 . . . . 169 GLU CB . 16869 1 624 . 1 1 189 189 GLU N N 15 118.818 0.200 . 1 . . . . 169 GLU N . 16869 1 625 . 1 1 190 190 GLU H H 1 8.179 0.020 . 1 . . . . 170 GLU H . 16869 1 626 . 1 1 190 190 GLU C C 13 178.822 0.200 . 1 . . . . 170 GLU C . 16869 1 627 . 1 1 190 190 GLU CA C 13 59.012 0.200 . 1 . . . . 170 GLU CA . 16869 1 628 . 1 1 190 190 GLU CB C 13 28.863 0.200 . 1 . . . . 170 GLU CB . 16869 1 629 . 1 1 190 190 GLU N N 15 123.256 0.200 . 1 . . . . 170 GLU N . 16869 1 630 . 1 1 191 191 VAL H H 1 8.254 0.020 . 1 . . . . 171 VAL H . 16869 1 631 . 1 1 191 191 VAL C C 13 176.508 0.200 . 1 . . . . 171 VAL C . 16869 1 632 . 1 1 191 191 VAL CA C 13 67.256 0.200 . 1 . . . . 171 VAL CA . 16869 1 633 . 1 1 191 191 VAL N N 15 120.758 0.200 . 1 . . . . 171 VAL N . 16869 1 634 . 1 1 192 192 LYS H H 1 6.812 0.020 . 1 . . . . 172 LYS H . 16869 1 635 . 1 1 192 192 LYS C C 13 179.110 0.200 . 1 . . . . 172 LYS C . 16869 1 636 . 1 1 192 192 LYS CA C 13 59.606 0.200 . 1 . . . . 172 LYS CA . 16869 1 637 . 1 1 192 192 LYS CB C 13 32.126 0.200 . 1 . . . . 172 LYS CB . 16869 1 638 . 1 1 192 192 LYS N N 15 114.543 0.200 . 1 . . . . 172 LYS N . 16869 1 639 . 1 1 193 193 ARG H H 1 7.174 0.020 . 1 . . . . 173 ARG H . 16869 1 640 . 1 1 193 193 ARG C C 13 178.674 0.200 . 1 . . . . 173 ARG C . 16869 1 641 . 1 1 193 193 ARG CA C 13 59.352 0.200 . 1 . . . . 173 ARG CA . 16869 1 642 . 1 1 193 193 ARG CB C 13 30.101 0.200 . 1 . . . . 173 ARG CB . 16869 1 643 . 1 1 193 193 ARG N N 15 117.577 0.200 . 1 . . . . 173 ARG N . 16869 1 644 . 1 1 194 194 LEU H H 1 8.571 0.020 . 1 . . . . 174 LEU H . 16869 1 645 . 1 1 194 194 LEU C C 13 179.502 0.200 . 1 . . . . 174 LEU C . 16869 1 646 . 1 1 194 194 LEU CA C 13 57.989 0.200 . 1 . . . . 174 LEU CA . 16869 1 647 . 1 1 194 194 LEU CB C 13 42.113 0.200 . 1 . . . . 174 LEU CB . 16869 1 648 . 1 1 194 194 LEU N N 15 120.659 0.200 . 1 . . . . 174 LEU N . 16869 1 649 . 1 1 195 195 ILE H H 1 8.255 0.020 . 1 . . . . 175 ILE H . 16869 1 650 . 1 1 195 195 ILE C C 13 176.120 0.200 . 1 . . . . 175 ILE C . 16869 1 651 . 1 1 195 195 ILE CA C 13 66.267 0.200 . 1 . . . . 175 ILE CA . 16869 1 652 . 1 1 195 195 ILE CB C 13 38.575 0.200 . 1 . . . . 175 ILE CB . 16869 1 653 . 1 1 195 195 ILE N N 15 117.988 0.200 . 1 . . . . 175 ILE N . 16869 1 654 . 1 1 196 196 ARG H H 1 6.897 0.020 . 1 . . . . 176 ARG H . 16869 1 655 . 1 1 196 196 ARG C C 13 176.590 0.200 . 1 . . . . 176 ARG C . 16869 1 656 . 1 1 196 196 ARG CA C 13 58.000 0.200 . 1 . . . . 176 ARG CA . 16869 1 657 . 1 1 196 196 ARG CB C 13 30.714 0.200 . 1 . . . . 176 ARG CB . 16869 1 658 . 1 1 196 196 ARG N N 15 113.626 0.200 . 1 . . . . 176 ARG N . 16869 1 659 . 1 1 197 197 GLU H H 1 7.648 0.020 . 1 . . . . 177 GLU H . 16869 1 660 . 1 1 197 197 GLU C C 13 177.457 0.200 . 1 . . . . 177 GLU C . 16869 1 661 . 1 1 197 197 GLU CA C 13 56.936 0.200 . 1 . . . . 177 GLU CA . 16869 1 662 . 1 1 197 197 GLU CB C 13 32.179 0.200 . 1 . . . . 177 GLU CB . 16869 1 663 . 1 1 197 197 GLU N N 15 114.995 0.200 . 1 . . . . 177 GLU N . 16869 1 664 . 1 1 198 198 LEU H H 1 8.382 0.020 . 1 . . . . 178 LEU H . 16869 1 665 . 1 1 198 198 LEU C C 13 176.296 0.200 . 1 . . . . 178 LEU C . 16869 1 666 . 1 1 198 198 LEU CA C 13 55.992 0.200 . 1 . . . . 178 LEU CA . 16869 1 667 . 1 1 198 198 LEU CB C 13 43.582 0.200 . 1 . . . . 178 LEU CB . 16869 1 668 . 1 1 198 198 LEU N N 15 124.077 0.200 . 1 . . . . 178 LEU N . 16869 1 669 . 1 1 199 199 ASP H H 1 8.928 0.020 . 1 . . . . 179 ASP H . 16869 1 670 . 1 1 199 199 ASP C C 13 178.113 0.200 . 1 . . . . 179 ASP C . 16869 1 671 . 1 1 199 199 ASP CA C 13 54.788 0.200 . 1 . . . . 179 ASP CA . 16869 1 672 . 1 1 199 199 ASP CB C 13 41.860 0.200 . 1 . . . . 179 ASP CB . 16869 1 673 . 1 1 199 199 ASP N N 15 127.919 0.200 . 1 . . . . 179 ASP N . 16869 1 674 . 1 1 200 200 ILE H H 1 8.135 0.020 . 1 . . . . 180 ILE H . 16869 1 675 . 1 1 200 200 ILE C C 13 175.668 0.200 . 1 . . . . 180 ILE C . 16869 1 676 . 1 1 200 200 ILE CA C 13 62.453 0.200 . 1 . . . . 180 ILE CA . 16869 1 677 . 1 1 200 200 ILE CB C 13 38.020 0.200 . 1 . . . . 180 ILE CB . 16869 1 678 . 1 1 200 200 ILE N N 15 124.936 0.200 . 1 . . . . 180 ILE N . 16869 1 679 . 1 1 201 201 ALA H H 1 8.384 0.020 . 1 . . . . 181 ALA H . 16869 1 680 . 1 1 201 201 ALA C C 13 178.071 0.200 . 1 . . . . 181 ALA C . 16869 1 681 . 1 1 201 201 ALA CA C 13 53.565 0.200 . 1 . . . . 181 ALA CA . 16869 1 682 . 1 1 201 201 ALA CB C 13 18.408 0.200 . 1 . . . . 181 ALA CB . 16869 1 683 . 1 1 201 201 ALA N N 15 118.551 0.200 . 1 . . . . 181 ALA N . 16869 1 684 . 1 1 202 202 ASP H H 1 7.739 0.020 . 1 . . . . 182 ASP H . 16869 1 685 . 1 1 202 202 ASP C C 13 175.818 0.200 . 1 . . . . 182 ASP C . 16869 1 686 . 1 1 202 202 ASP CA C 13 54.285 0.200 . 1 . . . . 182 ASP CA . 16869 1 687 . 1 1 202 202 ASP CB C 13 41.653 0.200 . 1 . . . . 182 ASP CB . 16869 1 688 . 1 1 202 202 ASP N N 15 116.125 0.200 . 1 . . . . 182 ASP N . 16869 1 689 . 1 1 203 203 VAL H H 1 7.285 0.020 . 1 . . . . 183 VAL H . 16869 1 690 . 1 1 203 203 VAL CA C 13 61.065 0.200 . 1 . . . . 183 VAL CA . 16869 1 691 . 1 1 203 203 VAL N N 15 122.319 0.200 . 1 . . . . 183 VAL N . 16869 1 692 . 1 1 207 207 GLY C C 13 173.888 0.200 . 1 . . . . 187 GLY C . 16869 1 693 . 1 1 208 208 ASN H H 1 8.055 0.020 . 1 . . . . 188 ASN H . 16869 1 694 . 1 1 208 208 ASN C C 13 179.782 0.200 . 1 . . . . 188 ASN C . 16869 1 695 . 1 1 208 208 ASN CA C 13 53.544 0.200 . 1 . . . . 188 ASN CA . 16869 1 696 . 1 1 208 208 ASN N N 15 120.551 0.200 . 1 . . . . 188 ASN N . 16869 1 697 . 1 1 209 209 ILE H H 1 8.252 0.020 . 1 . . . . 189 ILE H . 16869 1 698 . 1 1 209 209 ILE CA C 13 66.311 0.200 . 1 . . . . 189 ILE CA . 16869 1 699 . 1 1 209 209 ILE N N 15 118.283 0.200 . 1 . . . . 189 ILE N . 16869 1 700 . 1 1 210 210 THR C C 13 175.717 0.200 . 1 . . . . 190 THR C . 16869 1 701 . 1 1 210 210 THR CB C 13 68.094 0.200 . 1 . . . . 190 THR CB . 16869 1 702 . 1 1 211 211 ALA H H 1 8.206 0.020 . 1 . . . . 191 ALA H . 16869 1 703 . 1 1 211 211 ALA C C 13 179.247 0.200 . 1 . . . . 191 ALA C . 16869 1 704 . 1 1 211 211 ALA CA C 13 55.869 0.200 . 1 . . . . 191 ALA CA . 16869 1 705 . 1 1 211 211 ALA CB C 13 17.588 0.200 . 1 . . . . 191 ALA CB . 16869 1 706 . 1 1 211 211 ALA N N 15 121.989 0.200 . 1 . . . . 191 ALA N . 16869 1 707 . 1 1 212 212 GLU H H 1 8.012 0.020 . 1 . . . . 192 GLU H . 16869 1 708 . 1 1 212 212 GLU C C 13 179.159 0.200 . 1 . . . . 192 GLU C . 16869 1 709 . 1 1 212 212 GLU CA C 13 59.698 0.200 . 1 . . . . 192 GLU CA . 16869 1 710 . 1 1 212 212 GLU CB C 13 29.210 0.200 . 1 . . . . 192 GLU CB . 16869 1 711 . 1 1 212 212 GLU N N 15 117.495 0.200 . 1 . . . . 192 GLU N . 16869 1 712 . 1 1 213 213 LYS H H 1 7.640 0.020 . 1 . . . . 193 LYS H . 16869 1 713 . 1 1 213 213 LYS C C 13 178.882 0.200 . 1 . . . . 193 LYS C . 16869 1 714 . 1 1 213 213 LYS CA C 13 59.834 0.200 . 1 . . . . 193 LYS CA . 16869 1 715 . 1 1 213 213 LYS CB C 13 32.339 0.200 . 1 . . . . 193 LYS CB . 16869 1 716 . 1 1 213 213 LYS N N 15 119.144 0.200 . 1 . . . . 193 LYS N . 16869 1 717 . 1 1 214 214 LEU H H 1 7.735 0.020 . 1 . . . . 194 LEU H . 16869 1 718 . 1 1 214 214 LEU C C 13 179.301 0.200 . 1 . . . . 194 LEU C . 16869 1 719 . 1 1 214 214 LEU CA C 13 57.814 0.200 . 1 . . . . 194 LEU CA . 16869 1 720 . 1 1 214 214 LEU CB C 13 40.403 0.200 . 1 . . . . 194 LEU CB . 16869 1 721 . 1 1 214 214 LEU N N 15 117.192 0.200 . 1 . . . . 194 LEU N . 16869 1 722 . 1 1 215 215 LYS H H 1 8.289 0.020 . 1 . . . . 195 LYS H . 16869 1 723 . 1 1 215 215 LYS C C 13 181.282 0.200 . 1 . . . . 195 LYS C . 16869 1 724 . 1 1 215 215 LYS CA C 13 59.963 0.200 . 1 . . . . 195 LYS CA . 16869 1 725 . 1 1 215 215 LYS CB C 13 31.975 0.200 . 1 . . . . 195 LYS CB . 16869 1 726 . 1 1 215 215 LYS N N 15 121.473 0.200 . 1 . . . . 195 LYS N . 16869 1 727 . 1 1 216 216 LYS H H 1 7.640 0.020 . 1 . . . . 196 LYS H . 16869 1 728 . 1 1 216 216 LYS C C 13 177.919 0.200 . 1 . . . . 196 LYS C . 16869 1 729 . 1 1 216 216 LYS CA C 13 58.978 0.200 . 1 . . . . 196 LYS CA . 16869 1 730 . 1 1 216 216 LYS CB C 13 31.885 0.200 . 1 . . . . 196 LYS CB . 16869 1 731 . 1 1 216 216 LYS N N 15 119.908 0.200 . 1 . . . . 196 LYS N . 16869 1 732 . 1 1 217 217 LEU H H 1 7.287 0.020 . 1 . . . . 197 LEU H . 16869 1 733 . 1 1 217 217 LEU C C 13 176.602 0.200 . 1 . . . . 197 LEU C . 16869 1 734 . 1 1 217 217 LEU CA C 13 54.459 0.200 . 1 . . . . 197 LEU CA . 16869 1 735 . 1 1 217 217 LEU CB C 13 42.587 0.200 . 1 . . . . 197 LEU CB . 16869 1 736 . 1 1 217 217 LEU N N 15 117.778 0.200 . 1 . . . . 197 LEU N . 16869 1 737 . 1 1 218 218 GLY H H 1 7.737 0.020 . 1 . . . . 198 GLY H . 16869 1 738 . 1 1 218 218 GLY C C 13 173.583 0.200 . 1 . . . . 198 GLY C . 16869 1 739 . 1 1 218 218 GLY CA C 13 45.113 0.200 . 1 . . . . 198 GLY CA . 16869 1 740 . 1 1 218 218 GLY N N 15 106.126 0.200 . 1 . . . . 198 GLY N . 16869 1 741 . 1 1 219 219 ILE H H 1 7.662 0.020 . 1 . . . . 199 ILE H . 16869 1 742 . 1 1 219 219 ILE C C 13 172.379 0.200 . 1 . . . . 199 ILE C . 16869 1 743 . 1 1 219 219 ILE CA C 13 60.016 0.200 . 1 . . . . 199 ILE CA . 16869 1 744 . 1 1 219 219 ILE N N 15 121.874 0.200 . 1 . . . . 199 ILE N . 16869 1 745 . 1 1 220 220 ASN H H 1 8.521 0.020 . 1 . . . . 200 ASN H . 16869 1 746 . 1 1 220 220 ASN C C 13 175.172 0.200 . 1 . . . . 200 ASN C . 16869 1 747 . 1 1 220 220 ASN CA C 13 54.711 0.200 . 1 . . . . 200 ASN CA . 16869 1 748 . 1 1 220 220 ASN CB C 13 42.327 0.200 . 1 . . . . 200 ASN CB . 16869 1 749 . 1 1 220 220 ASN N N 15 122.618 0.200 . 1 . . . . 200 ASN N . 16869 1 750 . 1 1 221 221 LYS H H 1 8.551 0.020 . 1 . . . . 201 LYS H . 16869 1 751 . 1 1 221 221 LYS C C 13 178.457 0.200 . 1 . . . . 201 LYS C . 16869 1 752 . 1 1 221 221 LYS CA C 13 52.913 0.200 . 1 . . . . 201 LYS CA . 16869 1 753 . 1 1 221 221 LYS CB C 13 35.402 0.200 . 1 . . . . 201 LYS CB . 16869 1 754 . 1 1 221 221 LYS N N 15 119.914 0.200 . 1 . . . . 201 LYS N . 16869 1 755 . 1 1 222 222 LEU H H 1 8.936 0.020 . 1 . . . . 202 LEU H . 16869 1 756 . 1 1 222 222 LEU C C 13 179.375 0.200 . 1 . . . . 202 LEU C . 16869 1 757 . 1 1 222 222 LEU CA C 13 59.306 0.200 . 1 . . . . 202 LEU CA . 16869 1 758 . 1 1 222 222 LEU N N 15 122.602 0.200 . 1 . . . . 202 LEU N . 16869 1 759 . 1 1 223 223 VAL H H 1 7.878 0.020 . 1 . . . . 203 VAL H . 16869 1 760 . 1 1 223 223 VAL C C 13 176.192 0.200 . 1 . . . . 203 VAL C . 16869 1 761 . 1 1 223 223 VAL CA C 13 64.410 0.200 . 1 . . . . 203 VAL CA . 16869 1 762 . 1 1 223 223 VAL CB C 13 31.215 0.200 . 1 . . . . 203 VAL CB . 16869 1 763 . 1 1 223 223 VAL N N 15 115.227 0.200 . 1 . . . . 203 VAL N . 16869 1 764 . 1 1 224 224 ASP H H 1 7.712 0.020 . 1 . . . . 204 ASP H . 16869 1 765 . 1 1 224 224 ASP C C 13 178.856 0.200 . 1 . . . . 204 ASP C . 16869 1 766 . 1 1 224 224 ASP CA C 13 57.017 0.200 . 1 . . . . 204 ASP CA . 16869 1 767 . 1 1 224 224 ASP CB C 13 41.742 0.200 . 1 . . . . 204 ASP CB . 16869 1 768 . 1 1 224 224 ASP N N 15 122.437 0.200 . 1 . . . . 204 ASP N . 16869 1 769 . 1 1 225 225 THR H H 1 7.826 0.020 . 1 . . . . 205 THR H . 16869 1 770 . 1 1 225 225 THR C C 13 174.465 0.200 . 1 . . . . 205 THR C . 16869 1 771 . 1 1 225 225 THR CA C 13 65.449 0.200 . 1 . . . . 205 THR CA . 16869 1 772 . 1 1 225 225 THR CB C 13 69.093 0.200 . 1 . . . . 205 THR CB . 16869 1 773 . 1 1 225 225 THR N N 15 110.629 0.200 . 1 . . . . 205 THR N . 16869 1 774 . 1 1 226 226 LEU H H 1 7.143 0.020 . 1 . . . . 206 LEU H . 16869 1 775 . 1 1 226 226 LEU C C 13 178.129 0.200 . 1 . . . . 206 LEU C . 16869 1 776 . 1 1 226 226 LEU CA C 13 55.511 0.200 . 1 . . . . 206 LEU CA . 16869 1 777 . 1 1 226 226 LEU CB C 13 41.157 0.200 . 1 . . . . 206 LEU CB . 16869 1 778 . 1 1 226 226 LEU N N 15 115.741 0.200 . 1 . . . . 206 LEU N . 16869 1 779 . 1 1 227 227 SER H H 1 7.574 0.020 . 1 . . . . 207 SER H . 16869 1 780 . 1 1 227 227 SER C C 13 172.914 0.200 . 1 . . . . 207 SER C . 16869 1 781 . 1 1 227 227 SER CA C 13 58.798 0.200 . 1 . . . . 207 SER CA . 16869 1 782 . 1 1 227 227 SER CB C 13 64.539 0.200 . 1 . . . . 207 SER CB . 16869 1 783 . 1 1 227 227 SER N N 15 112.634 0.200 . 1 . . . . 207 SER N . 16869 1 784 . 1 1 228 228 ILE H H 1 6.936 0.020 . 1 . . . . 208 ILE H . 16869 1 785 . 1 1 228 228 ILE C C 13 174.140 0.200 . 1 . . . . 208 ILE C . 16869 1 786 . 1 1 228 228 ILE CA C 13 58.409 0.200 . 1 . . . . 208 ILE CA . 16869 1 787 . 1 1 228 228 ILE CB C 13 40.243 0.200 . 1 . . . . 208 ILE CB . 16869 1 788 . 1 1 228 228 ILE N N 15 119.131 0.200 . 1 . . . . 208 ILE N . 16869 1 789 . 1 1 229 229 GLU H H 1 8.682 0.020 . 1 . . . . 209 GLU H . 16869 1 790 . 1 1 229 229 GLU CA C 13 57.714 0.200 . 1 . . . . 209 GLU CA . 16869 1 791 . 1 1 229 229 GLU N N 15 126.137 0.200 . 1 . . . . 209 GLU N . 16869 1 792 . 1 1 230 230 PHE C C 13 177.093 0.200 . 1 . . . . 210 PHE C . 16869 1 793 . 1 1 230 230 PHE CB C 13 39.160 0.200 . 1 . . . . 210 PHE CB . 16869 1 794 . 1 1 231 231 ASP H H 1 8.928 0.020 . 1 . . . . 211 ASP H . 16869 1 795 . 1 1 231 231 ASP C C 13 179.217 0.200 . 1 . . . . 211 ASP C . 16869 1 796 . 1 1 231 231 ASP CA C 13 57.777 0.200 . 1 . . . . 211 ASP CA . 16869 1 797 . 1 1 231 231 ASP CB C 13 40.446 0.200 . 1 . . . . 211 ASP CB . 16869 1 798 . 1 1 231 231 ASP N N 15 115.951 0.200 . 1 . . . . 211 ASP N . 16869 1 799 . 1 1 232 232 LYS H H 1 7.169 0.020 . 1 . . . . 212 LYS H . 16869 1 800 . 1 1 232 232 LYS C C 13 178.736 0.200 . 1 . . . . 212 LYS C . 16869 1 801 . 1 1 232 232 LYS CA C 13 58.578 0.200 . 1 . . . . 212 LYS CA . 16869 1 802 . 1 1 232 232 LYS CB C 13 32.089 0.200 . 1 . . . . 212 LYS CB . 16869 1 803 . 1 1 232 232 LYS N N 15 119.219 0.200 . 1 . . . . 212 LYS N . 16869 1 804 . 1 1 233 233 LEU H H 1 7.455 0.020 . 1 . . . . 213 LEU H . 16869 1 805 . 1 1 233 233 LEU C C 13 178.662 0.200 . 1 . . . . 213 LEU C . 16869 1 806 . 1 1 233 233 LEU CA C 13 58.117 0.200 . 1 . . . . 213 LEU CA . 16869 1 807 . 1 1 233 233 LEU CB C 13 42.171 0.200 . 1 . . . . 213 LEU CB . 16869 1 808 . 1 1 233 233 LEU N N 15 120.899 0.200 . 1 . . . . 213 LEU N . 16869 1 809 . 1 1 234 234 LYS H H 1 8.509 0.020 . 1 . . . . 214 LYS H . 16869 1 810 . 1 1 234 234 LYS C C 13 178.863 0.200 . 1 . . . . 214 LYS C . 16869 1 811 . 1 1 234 234 LYS CA C 13 58.885 0.200 . 1 . . . . 214 LYS CA . 16869 1 812 . 1 1 234 234 LYS CB C 13 31.232 0.200 . 1 . . . . 214 LYS CB . 16869 1 813 . 1 1 234 234 LYS N N 15 118.173 0.200 . 1 . . . . 214 LYS N . 16869 1 814 . 1 1 235 235 GLY H H 1 7.574 0.020 . 1 . . . . 215 GLY H . 16869 1 815 . 1 1 235 235 GLY C C 13 174.300 0.200 . 1 . . . . 215 GLY C . 16869 1 816 . 1 1 235 235 GLY CA C 13 46.416 0.200 . 1 . . . . 215 GLY CA . 16869 1 817 . 1 1 235 235 GLY N N 15 106.531 0.200 . 1 . . . . 215 GLY N . 16869 1 818 . 1 1 236 236 MET H H 1 7.334 0.020 . 1 . . . . 216 MET H . 16869 1 819 . 1 1 236 236 MET C C 13 177.632 0.200 . 1 . . . . 216 MET C . 16869 1 820 . 1 1 236 236 MET CA C 13 57.429 0.200 . 1 . . . . 216 MET CA . 16869 1 821 . 1 1 236 236 MET CB C 13 34.425 0.200 . 1 . . . . 216 MET CB . 16869 1 822 . 1 1 236 236 MET N N 15 117.308 0.200 . 1 . . . . 216 MET N . 16869 1 823 . 1 1 237 237 ILE H H 1 7.574 0.020 . 1 . . . . 217 ILE H . 16869 1 824 . 1 1 237 237 ILE C C 13 175.994 0.200 . 1 . . . . 217 ILE C . 16869 1 825 . 1 1 237 237 ILE CA C 13 60.581 0.200 . 1 . . . . 217 ILE CA . 16869 1 826 . 1 1 237 237 ILE CB C 13 40.079 0.200 . 1 . . . . 217 ILE CB . 16869 1 827 . 1 1 237 237 ILE N N 15 106.531 0.200 . 1 . . . . 217 ILE N . 16869 1 828 . 1 1 238 238 GLY H H 1 7.827 0.020 . 1 . . . . 218 GLY H . 16869 1 829 . 1 1 238 238 GLY CA C 13 44.646 0.200 . 1 . . . . 218 GLY CA . 16869 1 830 . 1 1 238 238 GLY N N 15 113.095 0.200 . 1 . . . . 218 GLY N . 16869 1 831 . 1 1 239 239 GLU C C 13 177.533 0.200 . 1 . . . . 219 GLU C . 16869 1 832 . 1 1 239 239 GLU CB C 13 28.211 0.200 . 1 . . . . 219 GLU CB . 16869 1 833 . 1 1 240 240 ALA H H 1 7.389 0.020 . 1 . . . . 220 ALA H . 16869 1 834 . 1 1 240 240 ALA C C 13 179.866 0.200 . 1 . . . . 220 ALA C . 16869 1 835 . 1 1 240 240 ALA CA C 13 54.250 0.200 . 1 . . . . 220 ALA CA . 16869 1 836 . 1 1 240 240 ALA N N 15 117.301 0.200 . 1 . . . . 220 ALA N . 16869 1 837 . 1 1 241 241 LYS H H 1 8.339 0.020 . 1 . . . . 221 LYS H . 16869 1 838 . 1 1 241 241 LYS C C 13 178.129 0.200 . 1 . . . . 221 LYS C . 16869 1 839 . 1 1 241 241 LYS CA C 13 58.704 0.200 . 1 . . . . 221 LYS CA . 16869 1 840 . 1 1 241 241 LYS CB C 13 31.591 0.200 . 1 . . . . 221 LYS CB . 16869 1 841 . 1 1 241 241 LYS N N 15 119.158 0.200 . 1 . . . . 221 LYS N . 16869 1 842 . 1 1 242 242 ALA H H 1 7.893 0.020 . 1 . . . . 222 ALA H . 16869 1 843 . 1 1 242 242 ALA C C 13 178.488 0.200 . 1 . . . . 222 ALA C . 16869 1 844 . 1 1 242 242 ALA CA C 13 56.239 0.200 . 1 . . . . 222 ALA CA . 16869 1 845 . 1 1 242 242 ALA CB C 13 18.326 0.200 . 1 . . . . 222 ALA CB . 16869 1 846 . 1 1 242 242 ALA N N 15 120.564 0.200 . 1 . . . . 222 ALA N . 16869 1 847 . 1 1 243 243 LYS H H 1 8.592 0.020 . 1 . . . . 223 LYS H . 16869 1 848 . 1 1 243 243 LYS C C 13 179.199 0.200 . 1 . . . . 223 LYS C . 16869 1 849 . 1 1 243 243 LYS CA C 13 60.176 0.200 . 1 . . . . 223 LYS CA . 16869 1 850 . 1 1 243 243 LYS CB C 13 32.221 0.200 . 1 . . . . 223 LYS CB . 16869 1 851 . 1 1 243 243 LYS N N 15 116.235 0.200 . 1 . . . . 223 LYS N . 16869 1 852 . 1 1 244 244 TYR H H 1 7.756 0.020 . 1 . . . . 224 TYR H . 16869 1 853 . 1 1 244 244 TYR C C 13 176.498 0.200 . 1 . . . . 224 TYR C . 16869 1 854 . 1 1 244 244 TYR CA C 13 60.163 0.200 . 1 . . . . 224 TYR CA . 16869 1 855 . 1 1 244 244 TYR CB C 13 38.307 0.200 . 1 . . . . 224 TYR CB . 16869 1 856 . 1 1 244 244 TYR N N 15 120.895 0.200 . 1 . . . . 224 TYR N . 16869 1 857 . 1 1 245 245 LEU H H 1 8.012 0.020 . 1 . . . . 225 LEU H . 16869 1 858 . 1 1 245 245 LEU C C 13 178.354 0.200 . 1 . . . . 225 LEU C . 16869 1 859 . 1 1 245 245 LEU CA C 13 58.118 0.200 . 1 . . . . 225 LEU CA . 16869 1 860 . 1 1 245 245 LEU CB C 13 42.408 0.200 . 1 . . . . 225 LEU CB . 16869 1 861 . 1 1 245 245 LEU N N 15 117.495 0.200 . 1 . . . . 225 LEU N . 16869 1 862 . 1 1 246 246 ILE H H 1 8.104 0.020 . 1 . . . . 226 ILE H . 16869 1 863 . 1 1 246 246 ILE C C 13 177.834 0.200 . 1 . . . . 226 ILE C . 16869 1 864 . 1 1 246 246 ILE CA C 13 64.137 0.200 . 1 . . . . 226 ILE CA . 16869 1 865 . 1 1 246 246 ILE CB C 13 37.479 0.200 . 1 . . . . 226 ILE CB . 16869 1 866 . 1 1 246 246 ILE N N 15 116.279 0.200 . 1 . . . . 226 ILE N . 16869 1 867 . 1 1 247 247 SER H H 1 7.981 0.020 . 1 . . . . 227 SER H . 16869 1 868 . 1 1 247 247 SER C C 13 176.403 0.200 . 1 . . . . 227 SER C . 16869 1 869 . 1 1 247 247 SER CA C 13 62.339 0.200 . 1 . . . . 227 SER CA . 16869 1 870 . 1 1 247 247 SER N N 15 115.585 0.200 . 1 . . . . 227 SER N . 16869 1 871 . 1 1 248 248 LEU H H 1 7.557 0.020 . 1 . . . . 228 LEU H . 16869 1 872 . 1 1 248 248 LEU C C 13 179.090 0.200 . 1 . . . . 228 LEU C . 16869 1 873 . 1 1 248 248 LEU CA C 13 57.674 0.200 . 1 . . . . 228 LEU CA . 16869 1 874 . 1 1 248 248 LEU CB C 13 43.450 0.200 . 1 . . . . 228 LEU CB . 16869 1 875 . 1 1 248 248 LEU N N 15 122.423 0.200 . 1 . . . . 228 LEU N . 16869 1 876 . 1 1 249 249 ALA H H 1 8.158 0.020 . 1 . . . . 229 ALA H . 16869 1 877 . 1 1 249 249 ALA C C 13 177.577 0.200 . 1 . . . . 229 ALA C . 16869 1 878 . 1 1 249 249 ALA CA C 13 54.377 0.200 . 1 . . . . 229 ALA CA . 16869 1 879 . 1 1 249 249 ALA CB C 13 18.549 0.200 . 1 . . . . 229 ALA CB . 16869 1 880 . 1 1 249 249 ALA N N 15 119.739 0.200 . 1 . . . . 229 ALA N . 16869 1 881 . 1 1 250 250 ARG H H 1 7.827 0.020 . 1 . . . . 230 ARG H . 16869 1 882 . 1 1 250 250 ARG CA C 13 56.496 0.200 . 1 . . . . 230 ARG CA . 16869 1 883 . 1 1 250 250 ARG N N 15 113.095 0.200 . 1 . . . . 230 ARG N . 16869 1 stop_ save_