data_15930 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15930 _Entry.Title ; Sequence-specific 1H, 15N, and 13C resonance assignments and relaxation parameters for the whole region 4 of Escherichia coli RNA polymerase sigma70 subunit in 10% TFE ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-08-26 _Entry.Accession_date 2008-08-26 _Entry.Last_release_date 2012-01-04 _Entry.Original_release_date 2012-01-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'TFE-induced native-like fold of the initially unfolded protein' _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 Piotr Kaczka . . . 15930 2 Agnieszka Polkowska . . . 15930 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15930 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 279 15930 '15N chemical shifts' 101 15930 '1H chemical shifts' 346 15930 'T1 relaxation values' 101 15930 'T2 relaxation values' 101 15930 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-01-04 2008-08-26 original author . 15930 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4870 '4.2 sigma70' 15930 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15930 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19847776 _Citation.Full_citation . _Citation.Title 'Backbone dynamics of TFE-induced native-like fold of region 4 of Escherichia coli RNA polymerase sigma70 subunit.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _Citation.Journal_volume 78 _Citation.Journal_issue 3 _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 754 _Citation.Page_last 768 _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 Piotr Kaczka . . . 15930 1 2 Agnieszka Polkowska . . . 15930 1 3 Krystyna Bolewska . . . 15930 1 4 Igor Zhukov . . . 15930 1 5 Jaroslaw Poznanski . . . 15930 1 6 Kazimierz Wierzchowski . L. . 15930 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'E. coli RNA polymerase' 15930 1 'NMR assignment' 15930 1 sigma70 15930 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15930 _Assembly.ID 1 _Assembly.Name '4 sigma70' _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 . _Assembly.Enzyme_commission_number . _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 '4 sigma70' 1 $4_sigma70 A . yes unfolded no yes . . . 15930 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'promoter DNA recognition factor' 15930 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_4_sigma70 _Entity.Sf_category entity _Entity.Sf_framecode 4_sigma70 _Entity.Entry_ID 15930 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 4_sigma70 _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 MLELPLDSATTESLRAATHD VLAGLTAREAKVLRMRFGID MNTDYTLEEVGKQFDVTRER IRQIEAKALRKLRHPSRSEV LRSFLDD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 2.7.7.6 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12032.5 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-18 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15936 . 4_sigma70 . . . . . 100.00 107 100.00 100.00 2.46e-69 . . . . 15930 1 2 no BMRB 15975 . 4_sigma70 . . . . . 100.00 107 100.00 100.00 2.46e-69 . . . . 15930 1 3 no PDB 1TLH . "T4 Asia Bound To Sigma70 Region 4" . . . . . 75.70 81 100.00 100.00 5.26e-49 . . . . 15930 1 4 no PDB 2P7V . "Crystal Structure Of The Escherichia Coli Regulator Of Sigma 70, Rsd, In Complex With Sigma 70 Domain 4" . . . . . 63.55 68 100.00 100.00 1.12e-39 . . . . 15930 1 5 no PDB 3IYD . "Three-Dimensional Em Structure Of An Intact Activator-Dependent Transcription Initiation Complex" . . . . . 80.37 613 98.84 100.00 1.42e-47 . . . . 15930 1 6 no PDB 3T72 . "Phob(E)-Sigma70(4)-(Rnap-Betha-Flap-Tip-Helix)-Dna Transcription Activation Sub-Complex" . . . . . 72.90 99 98.72 100.00 7.63e-46 . . . . 15930 1 7 no PDB 4JK1 . "X-ray Crystal Structure Of Escherichia Coli Sigma70 Holoenzyme In Complex With Guanosine Tetraphosphate (ppgpp)" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15930 1 8 no PDB 4JK2 . "X-ray Crystal Structure Of Escherichia Coli Sigma70 Holoenzyme In Complex With Guanosine Pentaphosphate (pppgpp)" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15930 1 9 no PDB 4JKR . "Crystal Structure Of E. Coli Rna Polymerase In Complex With Ppgpp" . . . . . 80.37 628 100.00 100.00 1.91e-48 . . . . 15930 1 10 no PDB 4KMU . "X-ray Crystal Structure Of The Escherichia Coli Rna Polymerase In Complex With Rifampin" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15930 1 11 no PDB 4KN4 . "X-ray Crystal Structure Of The Escherichia Coli Rna Polymerase In Complex With Benzoxazinorifamycin-2b" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15930 1 12 no PDB 4KN7 . "X-ray Crystal Structure Of The Escherichia Coli Rna Polymerase In Complex With Benzoxazinorifamycin-2c" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15930 1 13 no PDB 4LJZ . "Crystal Structure Analysis Of The E.coli Holoenzyme" . . . . . 80.37 522 100.00 100.00 6.96e-49 . . . . 15930 1 14 no PDB 4LK0 . "Crystal Structure Analysis Of The E.coli Holoenzyme/t7 Gp2 Complex" . . . . . 80.37 522 100.00 100.00 6.96e-49 . . . . 15930 1 15 no PDB 4LK1 . "Crystal Structure Analysis Of The E.coli Holoenzyme" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15930 1 16 no PDB 4LLG . "Crystal Structure Analysis Of The E.coli Holoenzyme/gp2 Complex" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15930 1 17 no PDB 4MEX . "Crystal Structure Of Escherichia Coli Rna Polymerase In Complex With Salinamide A" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15930 1 18 no PDB 4MEY . "Crystal Structure Of Escherichia Coli Rna Polymerase Holoenzyme" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15930 1 19 no PDB 4XSX . "Crystal Structure Of Cbr 703 Bound To Escherichia Coli Rna Polymerase Holoenzyme" . . . . . 80.37 522 100.00 100.00 6.96e-49 . . . . 15930 1 20 no PDB 4XSY . "Crystal Structure Of Cbr 9379 Bound To Escherichia Coli Rna Polymerase Holoenzyme" . . . . . 80.37 522 100.00 100.00 6.96e-49 . . . . 15930 1 21 no PDB 4XSZ . "Crystal Structure Of Cbr 9393 Bound To Escherichia Coli Rna Polymerase Holoenzyme" . . . . . 80.37 522 100.00 100.00 6.96e-49 . . . . 15930 1 22 no PDB 4YFK . "Escherichia Coli Rna Polymerase In Complex With Squaramide Compound 8." . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15930 1 23 no PDB 4YFN . "Escherichia Coli Rna Polymerase In Complex With Squaramide Compound 14 (n-[3,4-dioxo-2-(4-{[4-(trifluoromethyl)benzyl]amino}pip" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15930 1 24 no PDB 4YFX . "Escherichia Coli Rna Polymerase In Complex With Myxopyronin B" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15930 1 25 no PDB 4YG2 . "X-ray Crystal Structur Of Escherichia Coli Rna Polymerase Sigma70 Holoenzyme" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15930 1 26 no PDB 4YLN . "E. Coli Transcription Initiation Complex - 17-bp Spacer And 4-nt Rna" . . . . . 80.37 628 100.00 100.00 1.91e-48 . . . . 15930 1 27 no PDB 4YLO . "E. Coli Transcription Initiation Complex - 16-bp Spacer And 4-nt Rna" . . . . . 80.37 628 100.00 100.00 1.91e-48 . . . . 15930 1 28 no PDB 4YLP . "E. Coli Transcription Initiation Complex - 16-bp Spacer And 5-nt Rna" . . . . . 80.37 628 100.00 100.00 1.91e-48 . . . . 15930 1 29 no PDB 4ZH2 . "Crystal Structure Of Escherichia Coli Rna Polymerase In Complex With Cbr703" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15930 1 30 no PDB 4ZH3 . "Crystal Structure Of Escherichia Coli Rna Polymerase In Complex With Cbrh16-br" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15930 1 31 no PDB 4ZH4 . "Crystal Structure Of Escherichia Coli Rna Polymerase In Complex With Cbrp18" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15930 1 32 no DBJ BAB37373 . "RNA polymerase sigma 70 factor RpoD [Escherichia coli O157:H7 str. Sakai]" . . . . . 80.37 613 98.84 100.00 1.54e-47 . . . . 15930 1 33 no DBJ BAE77118 . "RNA polymerase, sigma 70 (sigma D) factor [Escherichia coli str. K12 substr. W3110]" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15930 1 34 no DBJ BAG66772 . "RNA polymerase, sigma(70) factor [Escherichia coli O111:H-]" . . . . . 80.37 613 98.84 100.00 1.54e-47 . . . . 15930 1 35 no DBJ BAG78873 . "RNA polymerase sigma factor RpoD [Escherichia coli SE11]" . . . . . 80.37 613 98.84 100.00 1.54e-47 . . . . 15930 1 36 no DBJ BAH65247 . "RNA polymerase sigma factor [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 80.37 632 98.84 100.00 1.29e-47 . . . . 15930 1 37 no EMBL CAD07736 . "RNA polymerase sigma-70 factor [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 80.37 660 98.84 100.00 1.70e-47 . . . . 15930 1 38 no EMBL CAL34114 . "RNA polymerase sigma factor rpoD [Cronobacter sakazakii]" . . . . . 80.37 359 98.84 100.00 3.73e-49 . . . . 15930 1 39 no EMBL CAP77541 . "RNA polymerase sigma factor rpoD [Escherichia coli LF82]" . . . . . 80.37 613 98.84 100.00 1.42e-47 . . . . 15930 1 40 no EMBL CAQ33404 . "RNA polymerase, sigma 70 (sigma D) factor, subunit of RNA polymerase sigma 70 [Escherichia coli BL21(DE3)]" . . . . . 80.37 613 98.84 100.00 1.52e-47 . . . . 15930 1 41 no EMBL CAQ90501 . "RNA polymerase, sigma 70 (sigma D) factor [Escherichia fergusonii ATCC 35469]" . . . . . 80.37 613 98.84 100.00 1.52e-47 . . . . 15930 1 42 no GB AAA24601 . "RNA polymerase sigma-subunit [Escherichia coli]" . . . . . 80.37 613 100.00 100.00 9.58e-49 . . . . 15930 1 43 no GB AAA27242 . "rpoD protein [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 80.37 615 98.84 100.00 1.63e-47 . . . . 15930 1 44 no GB AAA89147 . "CG Site No. 231; alternate gene name alt [Escherichia coli str. K-12 substr. MG1655]" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15930 1 45 no GB AAB60181 . "RNA polymerase sigma-subunit [Escherichia coli]" . . . . . 80.37 603 98.84 100.00 1.42e-47 . . . . 15930 1 46 no GB AAC76103 . "RNA polymerase, sigma 70 (sigma D) factor [Escherichia coli str. K-12 substr. MG1655]" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15930 1 47 no PIR AB0893 . "RNA polymerase sigma-70 factor [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 80.37 660 98.84 100.00 1.70e-47 . . . . 15930 1 48 no REF NP_311977 . "RNA polymerase sigma factor RpoD [Escherichia coli O157:H7 str. Sakai]" . . . . . 80.37 613 98.84 100.00 1.54e-47 . . . . 15930 1 49 no REF NP_417539 . "RNA polymerase, sigma 70 (sigma D) factor [Escherichia coli str. K-12 substr. MG1655]" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15930 1 50 no REF NP_457602 . "RNA polymerase sigma-70 factor [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 80.37 660 98.84 100.00 1.70e-47 . . . . 15930 1 51 no REF NP_462126 . "RNA polymerase sigma factor RpoD [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 80.37 615 98.84 100.00 1.63e-47 . . . . 15930 1 52 no REF NP_708877 . "RNA polymerase sigma factor RpoD [Shigella flexneri 2a str. 301]" . . . . . 80.37 613 98.84 100.00 1.54e-47 . . . . 15930 1 53 no SP P00579 . "RecName: Full=RNA polymerase sigma factor RpoD; AltName: Full=Sigma-70" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15930 1 54 no SP P0A2E3 . "RecName: Full=RNA polymerase sigma factor RpoD; AltName: Full=Sigma-70" . . . . . 80.37 615 98.84 100.00 1.63e-47 . . . . 15930 1 55 no SP P0A2E4 . "RecName: Full=RNA polymerase sigma factor RpoD; AltName: Full=Sigma-70" . . . . . 80.37 615 98.84 100.00 1.63e-47 . . . . 15930 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'promoter DNA recognition factor' 15930 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 . MET . 15930 1 2 . GLY . 15930 1 3 . SER . 15930 1 4 . SER . 15930 1 5 . HIS . 15930 1 6 . HIS . 15930 1 7 . HIS . 15930 1 8 . HIS . 15930 1 9 . HIS . 15930 1 10 . HIS . 15930 1 11 . SER . 15930 1 12 . SER . 15930 1 13 . GLY . 15930 1 14 . LEU . 15930 1 15 . VAL . 15930 1 16 . PRO . 15930 1 17 . ARG . 15930 1 18 . GLY . 15930 1 19 . SER . 15930 1 20 . HIS . 15930 1 21 . MET . 15930 1 22 . LEU . 15930 1 23 . GLU . 15930 1 24 . LEU . 15930 1 25 . PRO . 15930 1 26 . LEU . 15930 1 27 . ASP . 15930 1 28 . SER . 15930 1 29 . ALA . 15930 1 30 . THR . 15930 1 31 . THR . 15930 1 32 . GLU . 15930 1 33 . SER . 15930 1 34 . LEU . 15930 1 35 . ARG . 15930 1 36 . ALA . 15930 1 37 . ALA . 15930 1 38 . THR . 15930 1 39 . HIS . 15930 1 40 . ASP . 15930 1 41 . VAL . 15930 1 42 . LEU . 15930 1 43 . ALA . 15930 1 44 . GLY . 15930 1 45 . LEU . 15930 1 46 . THR . 15930 1 47 . ALA . 15930 1 48 . ARG . 15930 1 49 . GLU . 15930 1 50 . ALA . 15930 1 51 . LYS . 15930 1 52 . VAL . 15930 1 53 . LEU . 15930 1 54 . ARG . 15930 1 55 . MET . 15930 1 56 . ARG . 15930 1 57 . PHE . 15930 1 58 . GLY . 15930 1 59 . ILE . 15930 1 60 . ASP . 15930 1 61 . MET . 15930 1 62 . ASN . 15930 1 63 . THR . 15930 1 64 . ASP . 15930 1 65 . TYR . 15930 1 66 . THR . 15930 1 67 . LEU . 15930 1 68 . GLU . 15930 1 69 . GLU . 15930 1 70 . VAL . 15930 1 71 . GLY . 15930 1 72 . LYS . 15930 1 73 . GLN . 15930 1 74 . PHE . 15930 1 75 . ASP . 15930 1 76 . VAL . 15930 1 77 . THR . 15930 1 78 . ARG . 15930 1 79 . GLU . 15930 1 80 . ARG . 15930 1 81 . ILE . 15930 1 82 . ARG . 15930 1 83 . GLN . 15930 1 84 . ILE . 15930 1 85 . GLU . 15930 1 86 . ALA . 15930 1 87 . LYS . 15930 1 88 . ALA . 15930 1 89 . LEU . 15930 1 90 . ARG . 15930 1 91 . LYS . 15930 1 92 . LEU . 15930 1 93 . ARG . 15930 1 94 . HIS . 15930 1 95 . PRO . 15930 1 96 . SER . 15930 1 97 . ARG . 15930 1 98 . SER . 15930 1 99 . GLU . 15930 1 100 . VAL . 15930 1 101 . LEU . 15930 1 102 . ARG . 15930 1 103 . SER . 15930 1 104 . PHE . 15930 1 105 . LEU . 15930 1 106 . ASP . 15930 1 107 . ASP . 15930 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 15930 1 . GLY 2 2 15930 1 . SER 3 3 15930 1 . SER 4 4 15930 1 . HIS 5 5 15930 1 . HIS 6 6 15930 1 . HIS 7 7 15930 1 . HIS 8 8 15930 1 . HIS 9 9 15930 1 . HIS 10 10 15930 1 . SER 11 11 15930 1 . SER 12 12 15930 1 . GLY 13 13 15930 1 . LEU 14 14 15930 1 . VAL 15 15 15930 1 . PRO 16 16 15930 1 . ARG 17 17 15930 1 . GLY 18 18 15930 1 . SER 19 19 15930 1 . HIS 20 20 15930 1 . MET 21 21 15930 1 . LEU 22 22 15930 1 . GLU 23 23 15930 1 . LEU 24 24 15930 1 . PRO 25 25 15930 1 . LEU 26 26 15930 1 . ASP 27 27 15930 1 . SER 28 28 15930 1 . ALA 29 29 15930 1 . THR 30 30 15930 1 . THR 31 31 15930 1 . GLU 32 32 15930 1 . SER 33 33 15930 1 . LEU 34 34 15930 1 . ARG 35 35 15930 1 . ALA 36 36 15930 1 . ALA 37 37 15930 1 . THR 38 38 15930 1 . HIS 39 39 15930 1 . ASP 40 40 15930 1 . VAL 41 41 15930 1 . LEU 42 42 15930 1 . ALA 43 43 15930 1 . GLY 44 44 15930 1 . LEU 45 45 15930 1 . THR 46 46 15930 1 . ALA 47 47 15930 1 . ARG 48 48 15930 1 . GLU 49 49 15930 1 . ALA 50 50 15930 1 . LYS 51 51 15930 1 . VAL 52 52 15930 1 . LEU 53 53 15930 1 . ARG 54 54 15930 1 . MET 55 55 15930 1 . ARG 56 56 15930 1 . PHE 57 57 15930 1 . GLY 58 58 15930 1 . ILE 59 59 15930 1 . ASP 60 60 15930 1 . MET 61 61 15930 1 . ASN 62 62 15930 1 . THR 63 63 15930 1 . ASP 64 64 15930 1 . TYR 65 65 15930 1 . THR 66 66 15930 1 . LEU 67 67 15930 1 . GLU 68 68 15930 1 . GLU 69 69 15930 1 . VAL 70 70 15930 1 . GLY 71 71 15930 1 . LYS 72 72 15930 1 . GLN 73 73 15930 1 . PHE 74 74 15930 1 . ASP 75 75 15930 1 . VAL 76 76 15930 1 . THR 77 77 15930 1 . ARG 78 78 15930 1 . GLU 79 79 15930 1 . ARG 80 80 15930 1 . ILE 81 81 15930 1 . ARG 82 82 15930 1 . GLN 83 83 15930 1 . ILE 84 84 15930 1 . GLU 85 85 15930 1 . ALA 86 86 15930 1 . LYS 87 87 15930 1 . ALA 88 88 15930 1 . LEU 89 89 15930 1 . ARG 90 90 15930 1 . LYS 91 91 15930 1 . LEU 92 92 15930 1 . ARG 93 93 15930 1 . HIS 94 94 15930 1 . PRO 95 95 15930 1 . SER 96 96 15930 1 . ARG 97 97 15930 1 . SER 98 98 15930 1 . GLU 99 99 15930 1 . VAL 100 100 15930 1 . LEU 101 101 15930 1 . ARG 102 102 15930 1 . SER 103 103 15930 1 . PHE 104 104 15930 1 . LEU 105 105 15930 1 . ASP 106 106 15930 1 . ASP 107 107 15930 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 15930 _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 $4_sigma70 . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . rpoD . . . . 15930 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 15930 _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 $4_sigma70 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli 'Escherichia coli BL21(DE3)' . . . . . . . . . . . . . . . pET-15b . . . . . . 15930 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15930 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 '4 sigma70' '[U-13C; U-15N]' . . 1 $4_sigma70 . . 3 . . mM . . . . 15930 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 15930 _Sample_condition_list.ID 1 _Sample_condition_list.Details '10% TFE (2,2,2-trifluoroehtanol)' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.0 . M 15930 1 pH 4.55 . pH 15930 1 pressure 1 . atm 15930 1 temperature 298 . K 15930 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15930 _Software.ID 1 _Software.Name NMRPipe _Software.Version 1.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15930 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15930 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15930 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.111 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15930 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15930 2 'data analysis' 15930 2 'peak picking' 15930 2 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 15930 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 15930 _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 Varian UnityPlus . 500 . . . 15930 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 15930 _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 . . . . . . . . . . . . . . . . 15930 1 2 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15930 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15930 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15930 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15930 1 6 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15930 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15930 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15930 1 9 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15930 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15930 1 11 '{1H-} -15N NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15930 1 12 '{1H-} -15N T1' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15930 1 13 '{1H-} -15N T2' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15930 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 15930 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15930 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15930 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15930 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 15930 _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 'M1 is deleted in the expression system.' _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' . . . 15930 1 2 '3D C(CO)NH' . . . 15930 1 3 '3D CBCA(CO)NH' . . . 15930 1 5 '3D HNCO' . . . 15930 1 6 '3D HNHA' . . . 15930 1 7 '3D HBHA(CO)NH' . . . 15930 1 10 '3D 1H-15N NOESY' . . . 15930 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLY H H 1 8.126 0.02 . 1 . . . . 2 GLY H . 15930 1 2 . 1 1 2 2 GLY HA2 H 1 3.864 0.02 . 1 . . . . 2 GLY HA2 . 15930 1 3 . 1 1 2 2 GLY CA C 13 43.347 0.2 . 1 . . . . 2 GLY CA . 15930 1 4 . 1 1 2 2 GLY N N 15 119.607 0.2 . 1 . . . . 2 GLY N . 15930 1 5 . 1 1 3 3 SER H H 1 8.592 0.02 . 1 . . . . 3 SER H . 15930 1 6 . 1 1 3 3 SER HA H 1 4.497 0.02 . 1 . . . . 3 SER HA . 15930 1 7 . 1 1 3 3 SER HB2 H 1 3.797 0.02 . 1 . . . . 3 SER HB2 . 15930 1 8 . 1 1 3 3 SER CA C 13 57.930 0.2 . 1 . . . . 3 SER CA . 15930 1 9 . 1 1 3 3 SER CB C 13 63.805 0.2 . 1 . . . . 3 SER CB . 15930 1 10 . 1 1 3 3 SER N N 15 115.217 0.2 . 1 . . . . 3 SER N . 15930 1 11 . 1 1 4 4 SER H H 1 8.379 0.02 . 1 . . . . 4 SER H . 15930 1 12 . 1 1 4 4 SER HA H 1 4.364 0.02 . 1 . . . . 4 SER HA . 15930 1 13 . 1 1 4 4 SER HB2 H 1 3.754 0.02 . 1 . . . . 4 SER HB2 . 15930 1 14 . 1 1 4 4 SER CA C 13 57.766 0.2 . 1 . . . . 4 SER CA . 15930 1 15 . 1 1 4 4 SER CB C 13 63.641 0.2 . 1 . . . . 4 SER CB . 15930 1 16 . 1 1 4 4 SER N N 15 117.560 0.2 . 1 . . . . 4 SER N . 15930 1 17 . 1 1 5 5 HIS H H 1 8.480 0.02 . 1 . . . . 5 HIS H . 15930 1 18 . 1 1 5 5 HIS HA H 1 4.629 0.02 . 1 . . . . 5 HIS HA . 15930 1 19 . 1 1 5 5 HIS HB2 H 1 3.180 0.02 . 2 . . . . 5 HIS HB2 . 15930 1 20 . 1 1 5 5 HIS HB3 H 1 3.017 0.02 . 2 . . . . 5 HIS HB3 . 15930 1 21 . 1 1 5 5 HIS CA C 13 54.816 0.2 . 1 . . . . 5 HIS CA . 15930 1 22 . 1 1 5 5 HIS CB C 13 28.670 0.2 . 1 . . . . 5 HIS CB . 15930 1 23 . 1 1 5 5 HIS N N 15 119.652 0.2 . 1 . . . . 5 HIS N . 15930 1 24 . 1 1 6 6 HIS HA H 1 4.634 0.02 . 1 . . . . 6 HIS HA . 15930 1 25 . 1 1 6 6 HIS HB2 H 1 3.173 0.02 . 2 . . . . 6 HIS HB2 . 15930 1 26 . 1 1 6 6 HIS HB3 H 1 3.042 0.02 . 2 . . . . 6 HIS HB3 . 15930 1 27 . 1 1 6 6 HIS CA C 13 55.004 0.2 . 1 . . . . 6 HIS CA . 15930 1 28 . 1 1 6 6 HIS CB C 13 29.232 0.2 . 1 . . . . 6 HIS CB . 15930 1 29 . 1 1 7 7 HIS H H 1 8.604 0.02 . 1 . . . . 7 HIS H . 15930 1 30 . 1 1 7 7 HIS HA H 1 4.667 0.02 . 1 . . . . 7 HIS HA . 15930 1 31 . 1 1 7 7 HIS HB2 H 1 3.180 0.02 . 2 . . . . 7 HIS HB2 . 15930 1 32 . 1 1 7 7 HIS HB3 H 1 3.121 0.02 . 2 . . . . 7 HIS HB3 . 15930 1 33 . 1 1 7 7 HIS CA C 13 55.121 0.2 . 1 . . . . 7 HIS CA . 15930 1 34 . 1 1 7 7 HIS CB C 13 29.513 0.2 . 1 . . . . 7 HIS CB . 15930 1 35 . 1 1 7 7 HIS N N 15 119.543 0.2 . 1 . . . . 7 HIS N . 15930 1 36 . 1 1 8 8 HIS H H 1 8.674 0.02 . 1 . . . . 8 HIS H . 15930 1 37 . 1 1 8 8 HIS HA H 1 4.665 0.02 . 1 . . . . 8 HIS HA . 15930 1 38 . 1 1 8 8 HIS HB2 H 1 3.156 0.02 . 1 . . . . 8 HIS HB2 . 15930 1 39 . 1 1 8 8 HIS CA C 13 55.203 0.2 . 1 . . . . 8 HIS CA . 15930 1 40 . 1 1 8 8 HIS CB C 13 29.606 0.2 . 1 . . . . 8 HIS CB . 15930 1 41 . 1 1 8 8 HIS N N 15 120.106 0.2 . 1 . . . . 8 HIS N . 15930 1 42 . 1 1 9 9 HIS H H 1 8.689 0.02 . 1 . . . . 9 HIS H . 15930 1 43 . 1 1 9 9 HIS HA H 1 4.651 0.02 . 1 . . . . 9 HIS HA . 15930 1 44 . 1 1 9 9 HIS HB2 H 1 3.161 0.02 . 1 . . . . 9 HIS HB2 . 15930 1 45 . 1 1 9 9 HIS CA C 13 55.191 0.2 . 1 . . . . 9 HIS CA . 15930 1 46 . 1 1 9 9 HIS CB C 13 29.571 0.2 . 1 . . . . 9 HIS CB . 15930 1 47 . 1 1 9 9 HIS N N 15 120.691 0.2 . 1 . . . . 9 HIS N . 15930 1 48 . 1 1 10 10 HIS H H 1 8.664 0.02 . 1 . . . . 10 HIS H . 15930 1 49 . 1 1 10 10 HIS HA H 1 4.679 0.02 . 1 . . . . 10 HIS HA . 15930 1 50 . 1 1 10 10 HIS HB2 H 1 3.180 0.02 . 1 . . . . 10 HIS HB2 . 15930 1 51 . 1 1 10 10 HIS CA C 13 55.542 0.2 . 1 . . . . 10 HIS CA . 15930 1 52 . 1 1 10 10 HIS CB C 13 29.700 0.2 . 1 . . . . 10 HIS CB . 15930 1 53 . 1 1 10 10 HIS N N 15 121.408 0.2 . 1 . . . . 10 HIS N . 15930 1 54 . 1 1 11 11 SER H H 1 8.469 0.02 . 1 . . . . 11 SER H . 15930 1 55 . 1 1 11 11 SER HA H 1 4.480 0.02 . 1 . . . . 11 SER HA . 15930 1 56 . 1 1 11 11 SER HB2 H 1 3.826 0.02 . 1 . . . . 11 SER HB2 . 15930 1 57 . 1 1 11 11 SER CA C 13 58.325 0.2 . 1 . . . . 11 SER CA . 15930 1 58 . 1 1 11 11 SER CB C 13 63.991 0.2 . 1 . . . . 11 SER CB . 15930 1 59 . 1 1 11 11 SER N N 15 118.628 0.2 . 1 . . . . 11 SER N . 15930 1 60 . 1 1 12 12 SER H H 1 8.491 0.02 . 1 . . . . 12 SER H . 15930 1 61 . 1 1 12 12 SER HA H 1 4.462 0.02 . 1 . . . . 12 SER HA . 15930 1 62 . 1 1 12 12 SER HB2 H 1 3.864 0.02 . 1 . . . . 12 SER HB2 . 15930 1 63 . 1 1 12 12 SER CA C 13 58.489 0.2 . 1 . . . . 12 SER CA . 15930 1 64 . 1 1 12 12 SER CB C 13 63.934 0.2 . 1 . . . . 12 SER CB . 15930 1 65 . 1 1 12 12 SER N N 15 118.150 0.2 . 1 . . . . 12 SER N . 15930 1 66 . 1 1 13 13 GLY H H 1 8.348 0.02 . 1 . . . . 13 GLY H . 15930 1 67 . 1 1 13 13 GLY HA2 H 1 3.918 0.02 . 1 . . . . 13 GLY HA2 . 15930 1 68 . 1 1 13 13 GLY CA C 13 45.044 0.2 . 1 . . . . 13 GLY CA . 15930 1 69 . 1 1 13 13 GLY N N 15 110.250 0.2 . 1 . . . . 13 GLY N . 15930 1 70 . 1 1 14 14 LEU H H 1 8.040 0.02 . 1 . . . . 14 LEU H . 15930 1 71 . 1 1 14 14 LEU HA H 1 4.345 0.02 . 1 . . . . 14 LEU HA . 15930 1 72 . 1 1 14 14 LEU HB2 H 1 1.523 0.02 . 1 . . . . 14 LEU HB2 . 15930 1 73 . 1 1 14 14 LEU CA C 13 55.051 0.2 . 1 . . . . 14 LEU CA . 15930 1 74 . 1 1 14 14 LEU CB C 13 42.644 0.2 . 1 . . . . 14 LEU CB . 15930 1 75 . 1 1 14 14 LEU CD1 C 13 24.828 0.2 . 2 . . . . 14 LEU CD1 . 15930 1 76 . 1 1 14 14 LEU CD2 C 13 23.488 0.2 . 2 . . . . 14 LEU CD2 . 15930 1 77 . 1 1 14 14 LEU CG C 13 27.069 0.2 . 1 . . . . 14 LEU CG . 15930 1 78 . 1 1 14 14 LEU N N 15 121.603 0.2 . 1 . . . . 14 LEU N . 15930 1 79 . 1 1 15 15 VAL H H 1 8.090 0.02 . 1 . . . . 15 VAL H . 15930 1 80 . 1 1 15 15 VAL HA H 1 4.364 0.02 . 1 . . . . 15 VAL HA . 15930 1 81 . 1 1 15 15 VAL CA C 13 59.872 0.2 . 1 . . . . 15 VAL CA . 15930 1 82 . 1 1 15 15 VAL CB C 13 32.895 0.2 . 1 . . . . 15 VAL CB . 15930 1 83 . 1 1 15 15 VAL N N 15 122.843 0.2 . 1 . . . . 15 VAL N . 15930 1 84 . 1 1 16 16 PRO HA H 1 4.364 0.02 . 1 . . . . 16 PRO HA . 15930 1 85 . 1 1 16 16 PRO HB2 H 1 2.240 0.02 . 2 . . . . 16 PRO HB2 . 15930 1 86 . 1 1 16 16 PRO HB3 H 1 1.856 0.02 . 2 . . . . 16 PRO HB3 . 15930 1 87 . 1 1 16 16 PRO CA C 13 63.267 0.2 . 1 . . . . 16 PRO CA . 15930 1 88 . 1 1 16 16 PRO CB C 13 32.193 0.2 . 1 . . . . 16 PRO CB . 15930 1 89 . 1 1 16 16 PRO CD C 13 51.062 0.2 . 1 . . . . 16 PRO CD . 15930 1 90 . 1 1 16 16 PRO CG C 13 27.420 0.2 . 1 . . . . 16 PRO CG . 15930 1 91 . 1 1 17 17 ARG H H 1 8.374 0.02 . 1 . . . . 17 ARG H . 15930 1 92 . 1 1 17 17 ARG HA H 1 4.282 0.02 . 1 . . . . 17 ARG HA . 15930 1 93 . 1 1 17 17 ARG HB2 H 1 1.799 0.02 . 1 . . . . 17 ARG HB2 . 15930 1 94 . 1 1 17 17 ARG CA C 13 56.525 0.2 . 1 . . . . 17 ARG CA . 15930 1 95 . 1 1 17 17 ARG CB C 13 30.848 0.2 . 1 . . . . 17 ARG CB . 15930 1 96 . 1 1 17 17 ARG CD C 13 43.384 0.2 . 1 . . . . 17 ARG CD . 15930 1 97 . 1 1 17 17 ARG CG C 13 27.081 0.2 . 1 . . . . 17 ARG CG . 15930 1 98 . 1 1 17 17 ARG N N 15 121.700 0.2 . 1 . . . . 17 ARG N . 15930 1 99 . 1 1 18 18 GLY H H 1 8.386 0.02 . 1 . . . . 18 GLY H . 15930 1 100 . 1 1 18 18 GLY HA2 H 1 3.935 0.02 . 1 . . . . 18 GLY HA2 . 15930 1 101 . 1 1 18 18 GLY CA C 13 45.348 0.2 . 1 . . . . 18 GLY CA . 15930 1 102 . 1 1 18 18 GLY N N 15 109.853 0.2 . 1 . . . . 18 GLY N . 15930 1 103 . 1 1 19 19 SER H H 1 8.103 0.02 . 1 . . . . 19 SER H . 15930 1 104 . 1 1 19 19 SER HA H 1 4.368 0.02 . 1 . . . . 19 SER HA . 15930 1 105 . 1 1 19 19 SER HB2 H 1 3.779 0.02 . 1 . . . . 19 SER HB2 . 15930 1 106 . 1 1 19 19 SER CA C 13 58.515 0.2 . 1 . . . . 19 SER CA . 15930 1 107 . 1 1 19 19 SER CB C 13 63.993 0.2 . 1 . . . . 19 SER CB . 15930 1 108 . 1 1 19 19 SER N N 15 114.949 0.2 . 1 . . . . 19 SER N . 15930 1 109 . 1 1 20 20 HIS H H 1 8.522 0.02 . 1 . . . . 20 HIS H . 15930 1 110 . 1 1 20 20 HIS HA H 1 4.680 0.02 . 1 . . . . 20 HIS HA . 15930 1 111 . 1 1 20 20 HIS HB2 H 1 3.274 0.02 . 2 . . . . 20 HIS HB2 . 15930 1 112 . 1 1 20 20 HIS HB3 H 1 3.129 0.2 . 2 . . . . 20 HIS HB3 . 15930 1 113 . 1 1 20 20 HIS CA C 13 55.659 0.2 . 1 . . . . 20 HIS CA . 15930 1 114 . 1 1 20 20 HIS CB C 13 28.868 0.2 . 1 . . . . 20 HIS CB . 15930 1 115 . 1 1 20 20 HIS N N 15 119.860 0.2 . 1 . . . . 20 HIS N . 15930 1 116 . 1 1 21 21 MET H H 1 8.275 0.02 . 1 . . . . 21 MET H . 15930 1 117 . 1 1 21 21 MET HA H 1 4.396 0.02 . 1 . . . . 21 MET HA . 15930 1 118 . 1 1 21 21 MET HB2 H 1 1.988 0.02 . 1 . . . . 21 MET HB2 . 15930 1 119 . 1 1 21 21 MET CA C 13 55.538 0.2 . 1 . . . . 21 MET CA . 15930 1 120 . 1 1 21 21 MET CB C 13 33.176 0.2 . 1 . . . . 21 MET CB . 15930 1 121 . 1 1 21 21 MET CG C 13 31.991 0.2 . 1 . . . . 21 MET CG . 15930 1 122 . 1 1 21 21 MET N N 15 120.903 0.2 . 1 . . . . 21 MET N . 15930 1 123 . 1 1 22 22 LEU H H 1 8.176 0.02 . 1 . . . . 22 LEU H . 15930 1 124 . 1 1 22 22 LEU HA H 1 4.310 0.02 . 1 . . . . 22 LEU HA . 15930 1 125 . 1 1 22 22 LEU HB2 H 1 1.562 0.02 . 1 . . . . 22 LEU HB2 . 15930 1 126 . 1 1 22 22 LEU CA C 13 55.191 0.2 . 1 . . . . 22 LEU CA . 15930 1 127 . 1 1 22 22 LEU CB C 13 42.598 0.2 . 1 . . . . 22 LEU CB . 15930 1 128 . 1 1 22 22 LEU CD1 C 13 24.798 0.2 . 2 . . . . 22 LEU CD1 . 15930 1 129 . 1 1 22 22 LEU CD2 C 13 23.587 0.2 . 2 . . . . 22 LEU CD2 . 15930 1 130 . 1 1 22 22 LEU CG C 13 27.157 0.2 . 1 . . . . 22 LEU CG . 15930 1 131 . 1 1 22 22 LEU N N 15 123.051 0.2 . 1 . . . . 22 LEU N . 15930 1 132 . 1 1 23 23 GLU H H 1 8.141 0.02 . 1 . . . . 23 GLU H . 15930 1 133 . 1 1 23 23 GLU HA H 1 4.374 0.02 . 1 . . . . 23 GLU HA . 15930 1 134 . 1 1 23 23 GLU HB2 H 1 2.049 0.02 . 2 . . . . 23 GLU HB2 . 15930 1 135 . 1 1 23 23 GLU HB3 H 1 1.895 0.02 . 2 . . . . 23 GLU HB3 . 15930 1 136 . 1 1 23 23 GLU CA C 13 55.532 0.2 . 1 . . . . 23 GLU CA . 15930 1 137 . 1 1 23 23 GLU CB C 13 29.045 0.2 . 1 . . . . 23 GLU CB . 15930 1 138 . 1 1 23 23 GLU CG C 13 32.915 0.2 . 1 . . . . 23 GLU CG . 15930 1 139 . 1 1 23 23 GLU N N 15 121.008 0.2 . 1 . . . . 23 GLU N . 15930 1 140 . 1 1 24 24 LEU H H 1 8.097 0.02 . 1 . . . . 24 LEU H . 15930 1 141 . 1 1 24 24 LEU HA H 1 4.392 0.02 . 1 . . . . 24 LEU HA . 15930 1 142 . 1 1 24 24 LEU HB3 H 1 1.884 0.02 . 1 . . . . 24 LEU HB3 . 15930 1 143 . 1 1 24 24 LEU CA C 13 53.143 0.2 . 1 . . . . 24 LEU CA . 15930 1 144 . 1 1 24 24 LEU CB C 13 42.071 0.2 . 1 . . . . 24 LEU CB . 15930 1 145 . 1 1 24 24 LEU N N 15 124.248 0.2 . 1 . . . . 24 LEU N . 15930 1 146 . 1 1 25 25 PRO HA H 1 4.399 0.02 . 1 . . . . 25 PRO HA . 15930 1 147 . 1 1 25 25 PRO HB2 H 1 2.225 0.02 . 2 . . . . 25 PRO HB2 . 15930 1 148 . 1 1 25 25 PRO HB3 H 1 1.884 0.02 . 2 . . . . 25 PRO HB3 . 15930 1 149 . 1 1 25 25 PRO CA C 13 62.822 0.2 . 1 . . . . 25 PRO CA . 15930 1 150 . 1 1 25 25 PRO CB C 13 32.052 0.2 . 1 . . . . 25 PRO CB . 15930 1 151 . 1 1 25 25 PRO CD C 13 50.436 0.2 . 1 . . . . 25 PRO CD . 15930 1 152 . 1 1 25 25 PRO CG C 13 27.479 0.2 . 1 . . . . 25 PRO CG . 15930 1 153 . 1 1 26 26 LEU H H 1 8.146 0.02 . 1 . . . . 26 LEU H . 15930 1 154 . 1 1 26 26 LEU HA H 1 4.248 0.02 . 1 . . . . 26 LEU HA . 15930 1 155 . 1 1 26 26 LEU HB2 H 1 1.551 0.02 . 1 . . . . 26 LEU HB2 . 15930 1 156 . 1 1 26 26 LEU CA C 13 55.565 0.2 . 1 . . . . 26 LEU CA . 15930 1 157 . 1 1 26 26 LEU CB C 13 42.574 0.2 . 1 . . . . 26 LEU CB . 15930 1 158 . 1 1 26 26 LEU CD1 C 13 24.875 0.2 . 2 . . . . 26 LEU CD1 . 15930 1 159 . 1 1 26 26 LEU CD2 C 13 23.400 0.2 . 2 . . . . 26 LEU CD2 . 15930 1 160 . 1 1 26 26 LEU CG C 13 27.239 0.2 . 1 . . . . 26 LEU CG . 15930 1 161 . 1 1 26 26 LEU N N 15 121.640 0.2 . 1 . . . . 26 LEU N . 15930 1 162 . 1 1 27 27 ASP H H 1 8.309 0.02 . 1 . . . . 27 ASP H . 15930 1 163 . 1 1 27 27 ASP HA H 1 4.676 0.02 . 1 . . . . 27 ASP HA . 15930 1 164 . 1 1 27 27 ASP HB2 H 1 2.880 0.02 . 2 . . . . 27 ASP HB2 . 15930 1 165 . 1 1 27 27 ASP CA C 13 53.273 0.2 . 1 . . . . 27 ASP CA . 15930 1 166 . 1 1 27 27 ASP CB C 13 38.899 0.2 . 1 . . . . 27 ASP CB . 15930 1 167 . 1 1 27 27 ASP N N 15 119.959 0.2 . 1 . . . . 27 ASP N . 15930 1 168 . 1 1 28 28 SER H H 1 8.209 0.02 . 1 . . . . 28 SER H . 15930 1 169 . 1 1 28 28 SER HA H 1 4.346 0.02 . 1 . . . . 28 SER HA . 15930 1 170 . 1 1 28 28 SER HB2 H 1 3.869 0.02 . 1 . . . . 28 SER HB2 . 15930 1 171 . 1 1 28 28 SER CA C 13 59.213 0.2 . 1 . . . . 28 SER CA . 15930 1 172 . 1 1 28 28 SER CB C 13 36.758 0.2 . 1 . . . . 28 SER CB . 15930 1 173 . 1 1 28 28 SER N N 15 116.173 0.2 . 1 . . . . 28 SER N . 15930 1 174 . 1 1 29 29 ALA H H 1 8.273 0.02 . 1 . . . . 29 ALA H . 15930 1 175 . 1 1 29 29 ALA HA H 1 4.290 0.02 . 1 . . . . 29 ALA HA . 15930 1 176 . 1 1 29 29 ALA HB1 H 1 1.411 0.02 . 1 . . . . 29 ALA HB . 15930 1 177 . 1 1 29 29 ALA HB2 H 1 1.411 0.02 . 1 . . . . 29 ALA HB . 15930 1 178 . 1 1 29 29 ALA HB3 H 1 1.411 0.02 . 1 . . . . 29 ALA HB . 15930 1 179 . 1 1 29 29 ALA CA C 13 53.845 0.2 . 1 . . . . 29 ALA CA . 15930 1 180 . 1 1 29 29 ALA CB C 13 18.932 0.2 . 1 . . . . 29 ALA CB . 15930 1 181 . 1 1 29 29 ALA N N 15 125.067 0.2 . 1 . . . . 29 ALA N . 15930 1 182 . 1 1 30 30 THR H H 1 8.046 0.02 . 1 . . . . 30 THR H . 15930 1 183 . 1 1 30 30 THR HA H 1 4.238 0.02 . 1 . . . . 30 THR HA . 15930 1 184 . 1 1 30 30 THR HB H 1 4.094 0.02 . 1 . . . . 30 THR HB . 15930 1 185 . 1 1 30 30 THR CA C 13 63.873 0.2 . 1 . . . . 30 THR CA . 15930 1 186 . 1 1 30 30 THR CB C 13 69.433 0.2 . 1 . . . . 30 THR CB . 15930 1 187 . 1 1 30 30 THR CG2 C 13 21.767 0.2 . 1 . . . . 30 THR CG2 . 15930 1 188 . 1 1 30 30 THR N N 15 112.615 0.2 . 1 . . . . 30 THR N . 15930 1 189 . 1 1 31 31 THR H H 1 8.032 0.02 . 1 . . . . 31 THR H . 15930 1 190 . 1 1 31 31 THR HA H 1 4.672 0.02 . 1 . . . . 31 THR HA . 15930 1 191 . 1 1 31 31 THR HB H 1 4.094 0.02 . 1 . . . . 31 THR HB . 15930 1 192 . 1 1 31 31 THR CA C 13 64.309 0.2 . 1 . . . . 31 THR CA . 15930 1 193 . 1 1 31 31 THR CB C 13 69.212 0.2 . 1 . . . . 31 THR CB . 15930 1 194 . 1 1 31 31 THR CG2 C 13 21.820 0.2 . 1 . . . . 31 THR CG2 . 15930 1 195 . 1 1 31 31 THR N N 15 115.741 0.2 . 1 . . . . 31 THR N . 15930 1 196 . 1 1 32 32 GLU H H 1 8.265 0.02 . 1 . . . . 32 GLU H . 15930 1 197 . 1 1 32 32 GLU HA H 1 4.174 0.02 . 1 . . . . 32 GLU HA . 15930 1 198 . 1 1 32 32 GLU HB2 H 1 2.070 0.02 . 1 . . . . 32 GLU HB2 . 15930 1 199 . 1 1 32 32 GLU CA C 13 57.977 0.2 . 1 . . . . 32 GLU CA . 15930 1 200 . 1 1 32 32 GLU CB C 13 28.389 0.2 . 1 . . . . 32 GLU CB . 15930 1 201 . 1 1 32 32 GLU CG C 13 33.085 0.2 . 1 . . . . 32 GLU CG . 15930 1 202 . 1 1 32 32 GLU N N 15 121.247 0.2 . 1 . . . . 32 GLU N . 15930 1 203 . 1 1 33 33 SER H H 1 8.141 0.02 . 1 . . . . 33 SER H . 15930 1 204 . 1 1 33 33 SER HA H 1 4.294 0.02 . 1 . . . . 33 SER HA . 15930 1 205 . 1 1 33 33 SER HB2 H 1 3.917 0.02 . 1 . . . . 33 SER HB2 . 15930 1 206 . 1 1 33 33 SER CA C 13 60.353 0.2 . 1 . . . . 33 SER CA . 15930 1 207 . 1 1 33 33 SER CB C 13 63.208 0.2 . 1 . . . . 33 SER CB . 15930 1 208 . 1 1 33 33 SER N N 15 116.070 0.2 . 1 . . . . 33 SER N . 15930 1 209 . 1 1 34 34 LEU H H 1 8.054 0.02 . 1 . . . . 34 LEU H . 15930 1 210 . 1 1 34 34 LEU HA H 1 4.111 0.02 . 1 . . . . 34 LEU HA . 15930 1 211 . 1 1 34 34 LEU HB2 H 1 1.748 0.02 . 2 . . . . 34 LEU HB2 . 15930 1 212 . 1 1 34 34 LEU HB3 H 1 1.544 0.02 . 2 . . . . 34 LEU HB3 . 15930 1 213 . 1 1 34 34 LEU CA C 13 56.919 0.2 . 1 . . . . 34 LEU CA . 15930 1 214 . 1 1 34 34 LEU CB C 13 42.059 0.2 . 1 . . . . 34 LEU CB . 15930 1 215 . 1 1 34 34 LEU CD1 C 13 24.834 0.2 . 2 . . . . 34 LEU CD1 . 15930 1 216 . 1 1 34 34 LEU CD2 C 13 23.382 0.2 . 2 . . . . 34 LEU CD2 . 15930 1 217 . 1 1 34 34 LEU N N 15 123.378 0.2 . 1 . . . . 34 LEU N . 15930 1 218 . 1 1 35 35 ARG H H 1 7.682 0.02 . 1 . . . . 35 ARG H . 15930 1 219 . 1 1 35 35 ARG HA H 1 4.062 0.02 . 1 . . . . 35 ARG HA . 15930 1 220 . 1 1 35 35 ARG HB2 H 1 1.825 0.02 . 1 . . . . 35 ARG HB2 . 15930 1 221 . 1 1 35 35 ARG CA C 13 58.437 0.2 . 1 . . . . 35 ARG CA . 15930 1 222 . 1 1 35 35 ARG CB C 13 30.250 0.2 . 1 . . . . 35 ARG CB . 15930 1 223 . 1 1 35 35 ARG CD C 13 43.396 0.2 . 1 . . . . 35 ARG CD . 15930 1 224 . 1 1 35 35 ARG CG C 13 27.485 0.2 . 1 . . . . 35 ARG CG . 15930 1 225 . 1 1 35 35 ARG N N 15 118.201 0.2 . 1 . . . . 35 ARG N . 15930 1 226 . 1 1 36 36 ALA H H 1 8.012 0.02 . 1 . . . . 36 ALA H . 15930 1 227 . 1 1 36 36 ALA HA H 1 4.143 0.02 . 1 . . . . 36 ALA HA . 15930 1 228 . 1 1 36 36 ALA HB1 H 1 1.432 0.02 . 1 . . . . 36 ALA HB . 15930 1 229 . 1 1 36 36 ALA HB2 H 1 1.432 0.02 . 1 . . . . 36 ALA HB . 15930 1 230 . 1 1 36 36 ALA HB3 H 1 1.432 0.02 . 1 . . . . 36 ALA HB . 15930 1 231 . 1 1 36 36 ALA CA C 13 54.222 0.2 . 1 . . . . 36 ALA CA . 15930 1 232 . 1 1 36 36 ALA CB C 13 18.534 0.2 . 1 . . . . 36 ALA CB . 15930 1 233 . 1 1 36 36 ALA N N 15 122.787 0.2 . 1 . . . . 36 ALA N . 15930 1 234 . 1 1 37 37 ALA H H 1 8.080 0.02 . 1 . . . . 37 ALA H . 15930 1 235 . 1 1 37 37 ALA HA H 1 4.217 0.02 . 1 . . . . 37 ALA HA . 15930 1 236 . 1 1 37 37 ALA HB1 H 1 1.421 0.02 . 1 . . . . 37 ALA HB . 15930 1 237 . 1 1 37 37 ALA HB2 H 1 1.421 0.02 . 1 . . . . 37 ALA HB . 15930 1 238 . 1 1 37 37 ALA HB3 H 1 1.421 0.02 . 1 . . . . 37 ALA HB . 15930 1 239 . 1 1 37 37 ALA CA C 13 53.856 0.2 . 1 . . . . 37 ALA CA . 15930 1 240 . 1 1 37 37 ALA CB C 13 19.026 0.2 . 1 . . . . 37 ALA CB . 15930 1 241 . 1 1 37 37 ALA N N 15 121.239 0.2 . 1 . . . . 37 ALA N . 15930 1 242 . 1 1 38 38 THR H H 1 7.908 0.02 . 1 . . . . 38 THR H . 15930 1 243 . 1 1 38 38 THR HA H 1 4.396 0.02 . 1 . . . . 38 THR HA . 15930 1 244 . 1 1 38 38 THR HB H 1 4.063 0.02 . 1 . . . . 38 THR HB . 15930 1 245 . 1 1 38 38 THR CA C 13 63.864 0.2 . 1 . . . . 38 THR CA . 15930 1 246 . 1 1 38 38 THR CB C 13 69.693 0.2 . 1 . . . . 38 THR CB . 15930 1 247 . 1 1 38 38 THR CG2 C 13 21.387 0.2 . 1 . . . . 38 THR CG2 . 15930 1 248 . 1 1 38 38 THR N N 15 111.091 0.2 . 1 . . . . 38 THR N . 15930 1 249 . 1 1 39 39 HIS H H 1 8.201 0.02 . 1 . . . . 39 HIS H . 15930 1 250 . 1 1 39 39 HIS HA H 1 4.425 0.02 . 1 . . . . 39 HIS HA . 15930 1 251 . 1 1 39 39 HIS HB2 H 1 3.268 0.02 . 1 . . . . 39 HIS HB2 . 15930 1 252 . 1 1 39 39 HIS CB C 13 28.553 0.2 . 1 . . . . 39 HIS CB . 15930 1 253 . 1 1 39 39 HIS N N 15 119.152 0.2 . 1 . . . . 39 HIS N . 15930 1 254 . 1 1 40 40 ASP H H 1 8.329 0.02 . 1 . . . . 40 ASP H . 15930 1 255 . 1 1 40 40 ASP HA H 1 4.683 0.02 . 1 . . . . 40 ASP HA . 15930 1 256 . 1 1 40 40 ASP HB2 H 1 2.919 0.02 . 2 . . . . 40 ASP HB2 . 15930 1 257 . 1 1 40 40 ASP HB3 H 1 2.749 0.02 . 2 . . . . 40 ASP HB3 . 15930 1 258 . 1 1 40 40 ASP CB C 13 38.969 0.2 . 1 . . . . 40 ASP CB . 15930 1 259 . 1 1 40 40 ASP N N 15 118.692 0.2 . 1 . . . . 40 ASP N . 15930 1 260 . 1 1 41 41 VAL H H 1 7.895 0.02 . 1 . . . . 41 VAL H . 15930 1 261 . 1 1 41 41 VAL HA H 1 3.822 0.02 . 1 . . . . 41 VAL HA . 15930 1 262 . 1 1 41 41 VAL HB H 1 2.058 0.02 . 1 . . . . 41 VAL HB . 15930 1 263 . 1 1 41 41 VAL CA C 13 64.227 0.2 . 1 . . . . 41 VAL CA . 15930 1 264 . 1 1 41 41 VAL CB C 13 32.403 0.2 . 1 . . . . 41 VAL CB . 15930 1 265 . 1 1 41 41 VAL CG1 C 13 21.024 0.2 . 1 . . . . 41 VAL CG1 . 15930 1 266 . 1 1 41 41 VAL N N 15 121.184 0.2 . 1 . . . . 41 VAL N . 15930 1 267 . 1 1 42 42 LEU H H 1 8.109 0.02 . 1 . . . . 42 LEU H . 15930 1 268 . 1 1 42 42 LEU HA H 1 4.158 0.02 . 1 . . . . 42 LEU HA . 15930 1 269 . 1 1 42 42 LEU HB2 H 1 1.682 0.02 . 2 . . . . 42 LEU HB2 . 15930 1 270 . 1 1 42 42 LEU HB3 H 1 1.504 0.02 . 2 . . . . 42 LEU HB3 . 15930 1 271 . 1 1 42 42 LEU CA C 13 56.619 0.2 . 1 . . . . 42 LEU CA . 15930 1 272 . 1 1 42 42 LEU CB C 13 42.004 0.2 . 1 . . . . 42 LEU CB . 15930 1 273 . 1 1 42 42 LEU CD1 C 13 24.997 0.2 . 2 . . . . 42 LEU CD1 . 15930 1 274 . 1 1 42 42 LEU CD2 C 13 23.160 0.2 . 2 . . . . 42 LEU CD2 . 15930 1 275 . 1 1 42 42 LEU N N 15 122.692 0.2 . 1 . . . . 42 LEU N . 15930 1 276 . 1 1 43 43 ALA H H 1 7.969 0.02 . 1 . . . . 43 ALA H . 15930 1 277 . 1 1 43 43 ALA HA H 1 4.124 0.02 . 1 . . . . 43 ALA HA . 15930 1 278 . 1 1 43 43 ALA HB1 H 1 1.334 0.02 . 1 . . . . 43 ALA HB . 15930 1 279 . 1 1 43 43 ALA HB2 H 1 1.334 0.02 . 1 . . . . 43 ALA HB . 15930 1 280 . 1 1 43 43 ALA HB3 H 1 1.334 0.02 . 1 . . . . 43 ALA HB . 15930 1 281 . 1 1 43 43 ALA CA C 13 53.927 0.2 . 1 . . . . 43 ALA CA . 15930 1 282 . 1 1 43 43 ALA CB C 13 18.499 0.2 . 1 . . . . 43 ALA CB . 15930 1 283 . 1 1 43 43 ALA N N 15 122.178 0.2 . 1 . . . . 43 ALA N . 15930 1 284 . 1 1 44 44 GLY H H 1 8.036 0.02 . 1 . . . . 44 GLY H . 15930 1 285 . 1 1 44 44 GLY HA2 H 1 3.905 0.02 . 1 . . . . 44 GLY HA2 . 15930 1 286 . 1 1 44 44 GLY CA C 13 45.652 0.2 . 1 . . . . 44 GLY CA . 15930 1 287 . 1 1 44 44 GLY N N 15 106.441 0.2 . 1 . . . . 44 GLY N . 15930 1 288 . 1 1 45 45 LEU H H 1 7.777 0.02 . 1 . . . . 45 LEU H . 15930 1 289 . 1 1 45 45 LEU HA H 1 4.347 0.02 . 1 . . . . 45 LEU HA . 15930 1 290 . 1 1 45 45 LEU HB2 H 1 1.691 0.02 . 2 . . . . 45 LEU HB2 . 15930 1 291 . 1 1 45 45 LEU HB3 H 1 1.593 0.02 . 2 . . . . 45 LEU HB3 . 15930 1 292 . 1 1 45 45 LEU CA C 13 56.139 0.2 . 1 . . . . 45 LEU CA . 15930 1 293 . 1 1 45 45 LEU CB C 13 42.750 0.2 . 1 . . . . 45 LEU CB . 15930 1 294 . 1 1 45 45 LEU CD1 C 13 25.208 0.2 . 2 . . . . 45 LEU CD1 . 15930 1 295 . 1 1 45 45 LEU CD2 C 13 23.886 0.2 . 2 . . . . 45 LEU CD2 . 15930 1 296 . 1 1 45 45 LEU N N 15 121.679 0.2 . 1 . . . . 45 LEU N . 15930 1 297 . 1 1 46 46 THR H H 1 7.960 0.02 . 1 . . . . 46 THR H . 15930 1 298 . 1 1 46 46 THR HA H 1 4.503 0.02 . 1 . . . . 46 THR HA . 15930 1 299 . 1 1 46 46 THR HB H 1 4.249 0.02 . 1 . . . . 46 THR HB . 15930 1 300 . 1 1 46 46 THR HG21 H 1 1.249 0.02 . 1 . . . . 46 THR HG1 . 15930 1 301 . 1 1 46 46 THR HG22 H 1 1.249 0.02 . 1 . . . . 46 THR HG1 . 15930 1 302 . 1 1 46 46 THR HG23 H 1 1.249 0.02 . 1 . . . . 46 THR HG1 . 15930 1 303 . 1 1 46 46 THR CA C 13 62.658 0.2 . 1 . . . . 46 THR CA . 15930 1 304 . 1 1 46 46 THR CB C 13 70.148 0.2 . 1 . . . . 46 THR CB . 15930 1 305 . 1 1 46 46 THR CG2 C 13 21.638 0.2 . 1 . . . . 46 THR CG2 . 15930 1 306 . 1 1 46 46 THR N N 15 113.193 0.2 . 1 . . . . 46 THR N . 15930 1 307 . 1 1 47 47 ALA H H 1 8.416 0.02 . 1 . . . . 47 ALA H . 15930 1 308 . 1 1 47 47 ALA HA H 1 4.093 0.02 . 1 . . . . 47 ALA HA . 15930 1 309 . 1 1 47 47 ALA HB1 H 1 1.450 0.02 . 1 . . . . 47 ALA HB . 15930 1 310 . 1 1 47 47 ALA HB2 H 1 1.450 0.02 . 1 . . . . 47 ALA HB . 15930 1 311 . 1 1 47 47 ALA HB3 H 1 1.450 0.02 . 1 . . . . 47 ALA HB . 15930 1 312 . 1 1 47 47 ALA CB C 13 18.394 0.2 . 1 . . . . 47 ALA CB . 15930 1 313 . 1 1 47 47 ALA N N 15 123.594 0.2 . 1 . . . . 47 ALA N . 15930 1 314 . 1 1 48 48 ARG H H 1 8.100 0.02 . 1 . . . . 48 ARG H . 15930 1 315 . 1 1 48 48 ARG HA H 1 4.038 0.02 . 1 . . . . 48 ARG HA . 15930 1 316 . 1 1 48 48 ARG HB2 H 1 1.839 0.02 . 1 . . . . 48 ARG HB2 . 15930 1 317 . 1 1 48 48 ARG CA C 13 59.124 0.2 . 1 . . . . 48 ARG CA . 15930 1 318 . 1 1 48 48 ARG CB C 13 30.320 0.2 . 1 . . . . 48 ARG CB . 15930 1 319 . 1 1 48 48 ARG CD C 13 43.425 0.2 . 1 . . . . 48 ARG CD . 15930 1 320 . 1 1 48 48 ARG CG C 13 27.423 0.2 . 1 . . . . 48 ARG CG . 15930 1 321 . 1 1 48 48 ARG N N 15 117.558 0.2 . 1 . . . . 48 ARG N . 15930 1 322 . 1 1 49 49 GLU H H 1 7.822 0.02 . 1 . . . . 49 GLU H . 15930 1 323 . 1 1 49 49 GLU HA H 1 3.975 0.02 . 1 . . . . 49 GLU HA . 15930 1 324 . 1 1 49 49 GLU HB2 H 1 2.183 0.02 . 2 . . . . 49 GLU HB2 . 15930 1 325 . 1 1 49 49 GLU HB3 H 1 1.980 0.02 . 2 . . . . 49 GLU HB3 . 15930 1 326 . 1 1 49 49 GLU CA C 13 58.456 0.2 . 1 . . . . 49 GLU CA . 15930 1 327 . 1 1 49 49 GLU CB C 13 28.412 0.2 . 1 . . . . 49 GLU CB . 15930 1 328 . 1 1 49 49 GLU CG C 13 33.372 0.2 . 1 . . . . 49 GLU CG . 15930 1 329 . 1 1 49 49 GLU N N 15 118.301 0.2 . 1 . . . . 49 GLU N . 15930 1 330 . 1 1 50 50 ALA H H 1 8.405 0.02 . 1 . . . . 50 ALA H . 15930 1 331 . 1 1 50 50 ALA HA H 1 4.056 0.02 . 1 . . . . 50 ALA HA . 15930 1 332 . 1 1 50 50 ALA HB1 H 1 1.461 0.02 . 1 . . . . 50 ALA HB . 15930 1 333 . 1 1 50 50 ALA HB2 H 1 1.461 0.02 . 1 . . . . 50 ALA HB . 15930 1 334 . 1 1 50 50 ALA HB3 H 1 1.461 0.02 . 1 . . . . 50 ALA HB . 15930 1 335 . 1 1 50 50 ALA CA C 13 55.039 0.2 . 1 . . . . 50 ALA CA . 15930 1 336 . 1 1 50 50 ALA CB C 13 18.113 0.2 . 1 . . . . 50 ALA CB . 15930 1 337 . 1 1 50 50 ALA N N 15 120.754 0.2 . 1 . . . . 50 ALA N . 15930 1 338 . 1 1 51 51 LYS H H 1 7.750 0.02 . 1 . . . . 51 LYS H . 15930 1 339 . 1 1 51 51 LYS HA H 1 3.975 0.02 . 1 . . . . 51 LYS HA . 15930 1 340 . 1 1 51 51 LYS HB2 H 1 1.931 0.02 . 1 . . . . 51 LYS HB2 . 15930 1 341 . 1 1 51 51 LYS CA C 13 59.697 0.2 . 1 . . . . 51 LYS CA . 15930 1 342 . 1 1 51 51 LYS CB C 13 32.638 0.2 . 1 . . . . 51 LYS CB . 15930 1 343 . 1 1 51 51 LYS CD C 13 29.474 0.2 . 1 . . . . 51 LYS CD . 15930 1 344 . 1 1 51 51 LYS CE C 13 42.161 0.2 . 1 . . . . 51 LYS CE . 15930 1 345 . 1 1 51 51 LYS CG C 13 25.231 0.2 . 1 . . . . 51 LYS CG . 15930 1 346 . 1 1 51 51 LYS N N 15 117.558 0.2 . 1 . . . . 51 LYS N . 15930 1 347 . 1 1 52 52 VAL H H 1 7.727 0.02 . 1 . . . . 52 VAL H . 15930 1 348 . 1 1 52 52 VAL HA H 1 3.864 0.02 . 1 . . . . 52 VAL HA . 15930 1 349 . 1 1 52 52 VAL HB H 1 2.065 0.02 . 1 . . . . 52 VAL HB . 15930 1 350 . 1 1 52 52 VAL CA C 13 64.472 0.2 . 1 . . . . 52 VAL CA . 15930 1 351 . 1 1 52 52 VAL CB C 13 32.405 0.2 . 1 . . . . 52 VAL CB . 15930 1 352 . 1 1 52 52 VAL CG1 C 13 21.030 0.2 . 1 . . . . 52 VAL CG1 . 15930 1 353 . 1 1 52 52 VAL N N 15 119.243 0.2 . 1 . . . . 52 VAL N . 15930 1 354 . 1 1 53 53 LEU H H 1 7.977 0.02 . 1 . . . . 53 LEU H . 15930 1 355 . 1 1 53 53 LEU HA H 1 4.220 0.02 . 1 . . . . 53 LEU HA . 15930 1 356 . 1 1 53 53 LEU HB2 H 1 1.514 0.02 . 1 . . . . 53 LEU HB2 . 15930 1 357 . 1 1 53 53 LEU CA C 13 55.940 0.2 . 1 . . . . 53 LEU CA . 15930 1 358 . 1 1 53 53 LEU CB C 13 42.153 0.2 . 1 . . . . 53 LEU CB . 15930 1 359 . 1 1 53 53 LEU CD1 C 13 24.845 0.2 . 2 . . . . 53 LEU CD1 . 15930 1 360 . 1 1 53 53 LEU CD2 C 13 23.341 0.2 . 2 . . . . 53 LEU CD2 . 15930 1 361 . 1 1 53 53 LEU CG C 13 27.139 0.2 . 1 . . . . 53 LEU CG . 15930 1 362 . 1 1 53 53 LEU N N 15 121.039 0.2 . 1 . . . . 53 LEU N . 15930 1 363 . 1 1 54 54 ARG H H 1 8.038 0.02 . 1 . . . . 54 ARG H . 15930 1 364 . 1 1 54 54 ARG HA H 1 4.187 0.02 . 1 . . . . 54 ARG HA . 15930 1 365 . 1 1 54 54 ARG HB2 H 1 1.669 0.02 . 1 . . . . 54 ARG HB2 . 15930 1 366 . 1 1 54 54 ARG N N 15 118.425 0.2 . 1 . . . . 54 ARG N . 15930 1 367 . 1 1 55 55 MET H H 1 8.124 0.02 . 1 . . . . 55 MET H . 15930 1 368 . 1 1 55 55 MET HA H 1 4.544 0.02 . 1 . . . . 55 MET HA . 15930 1 369 . 1 1 55 55 MET HB2 H 1 2.830 0.02 . 1 . . . . 55 MET HB2 . 15930 1 370 . 1 1 55 55 MET CA C 13 57.087 0.2 . 1 . . . . 55 MET CA . 15930 1 371 . 1 1 55 55 MET N N 15 120.296 0.2 . 1 . . . . 55 MET N . 15930 1 372 . 1 1 56 56 ARG H H 1 7.988 0.02 . 1 . . . . 56 ARG H . 15930 1 373 . 1 1 56 56 ARG HA H 1 4.089 0.02 . 1 . . . . 56 ARG HA . 15930 1 374 . 1 1 56 56 ARG HB2 H 1 1.444 0.02 . 1 . . . . 56 ARG HB2 . 15930 1 375 . 1 1 56 56 ARG CA C 13 54.486 0.2 . 1 . . . . 56 ARG CA . 15930 1 376 . 1 1 56 56 ARG CB C 13 30.671 0.2 . 1 . . . . 56 ARG CB . 15930 1 377 . 1 1 56 56 ARG CD C 13 42.240 0.2 . 1 . . . . 56 ARG CD . 15930 1 378 . 1 1 56 56 ARG CG C 13 27.183 0.2 . 1 . . . . 56 ARG CG . 15930 1 379 . 1 1 56 56 ARG N N 15 120.590 0.2 . 1 . . . . 56 ARG N . 15930 1 380 . 1 1 57 57 PHE H H 1 8.045 0.02 . 1 . . . . 57 PHE H . 15930 1 381 . 1 1 57 57 PHE HA H 1 4.699 0.02 . 1 . . . . 57 PHE HA . 15930 1 382 . 1 1 57 57 PHE HB2 H 1 3.268 0.02 . 2 . . . . 57 PHE HB2 . 15930 1 383 . 1 1 57 57 PHE HB3 H 1 2.949 0.02 . 2 . . . . 57 PHE HB3 . 15930 1 384 . 1 1 57 57 PHE CA C 13 58.012 0.2 . 1 . . . . 57 PHE CA . 15930 1 385 . 1 1 57 57 PHE CB C 13 40.257 0.2 . 1 . . . . 57 PHE CB . 15930 1 386 . 1 1 57 57 PHE N N 15 118.034 0.2 . 1 . . . . 57 PHE N . 15930 1 387 . 1 1 58 58 GLY H H 1 7.902 0.02 . 1 . . . . 58 GLY H . 15930 1 388 . 1 1 58 58 GLY HA2 H 1 4.127 0.02 . 2 . . . . 58 GLY HA2 . 15930 1 389 . 1 1 58 58 GLY CA C 13 46.202 0.2 . 1 . . . . 58 GLY CA . 15930 1 390 . 1 1 58 58 GLY N N 15 108.782 0.2 . 1 . . . . 58 GLY N . 15930 1 391 . 1 1 59 59 ILE H H 1 7.735 0.02 . 1 . . . . 59 ILE H . 15930 1 392 . 1 1 59 59 ILE HA H 1 4.078 0.02 . 1 . . . . 59 ILE HA . 15930 1 393 . 1 1 59 59 ILE HB H 1 1.777 0.02 . 1 . . . . 59 ILE HB . 15930 1 394 . 1 1 59 59 ILE HD11 H 1 0.823 0.02 . 1 . . . . 59 ILE HD1 . 15930 1 395 . 1 1 59 59 ILE HD12 H 1 0.823 0.02 . 1 . . . . 59 ILE HD1 . 15930 1 396 . 1 1 59 59 ILE HD13 H 1 0.823 0.02 . 1 . . . . 59 ILE HD1 . 15930 1 397 . 1 1 59 59 ILE CA C 13 61.500 0.2 . 1 . . . . 59 ILE CA . 15930 1 398 . 1 1 59 59 ILE CB C 13 39.180 0.2 . 1 . . . . 59 ILE CB . 15930 1 399 . 1 1 59 59 ILE CD1 C 13 13.085 0.2 . 1 . . . . 59 ILE CD1 . 15930 1 400 . 1 1 59 59 ILE CG1 C 13 27.370 0.2 . 1 . . . . 59 ILE CG1 . 15930 1 401 . 1 1 59 59 ILE CG2 C 13 17.305 0.2 . 1 . . . . 59 ILE CG2 . 15930 1 402 . 1 1 59 59 ILE N N 15 118.754 0.2 . 1 . . . . 59 ILE N . 15930 1 403 . 1 1 60 60 ASP H H 1 8.389 0.02 . 1 . . . . 60 ASP H . 15930 1 404 . 1 1 60 60 ASP HA H 1 4.650 0.02 . 1 . . . . 60 ASP HA . 15930 1 405 . 1 1 60 60 ASP HB2 H 1 2.921 0.02 . 2 . . . . 60 ASP HB2 . 15930 1 406 . 1 1 60 60 ASP HB3 H 1 2.752 0.02 . 2 . . . . 60 ASP HB3 . 15930 1 407 . 1 1 60 60 ASP CA C 13 53.190 0.2 . 1 . . . . 60 ASP CA . 15930 1 408 . 1 1 60 60 ASP CB C 13 39.110 0.2 . 1 . . . . 60 ASP CB . 15930 1 409 . 1 1 60 60 ASP N N 15 122.033 0.2 . 1 . . . . 60 ASP N . 15930 1 410 . 1 1 61 61 MET H H 1 8.225 0.02 . 1 . . . . 61 MET H . 15930 1 411 . 1 1 61 61 MET HA H 1 4.639 0.02 . 1 . . . . 61 MET HA . 15930 1 412 . 1 1 61 61 MET HB2 H 1 2.026 0.02 . 1 . . . . 61 MET HB2 . 15930 1 413 . 1 1 61 61 MET CA C 13 56.151 0.2 . 1 . . . . 61 MET CA . 15930 1 414 . 1 1 61 61 MET CB C 13 32.661 0.2 . 1 . . . . 61 MET CB . 15930 1 415 . 1 1 61 61 MET N N 15 120.307 0.2 . 1 . . . . 61 MET N . 15930 1 416 . 1 1 62 62 ASN H H 1 8.237 0.02 . 1 . . . . 62 ASN H . 15930 1 417 . 1 1 62 62 ASN HA H 1 4.678 0.02 . 1 . . . . 62 ASN HA . 15930 1 418 . 1 1 62 62 ASN HB2 H 1 2.787 0.02 . 1 . . . . 62 ASN HB2 . 15930 1 419 . 1 1 62 62 ASN CA C 13 53.927 0.2 . 1 . . . . 62 ASN CA . 15930 1 420 . 1 1 62 62 ASN CB C 13 38.911 0.2 . 1 . . . . 62 ASN CB . 15930 1 421 . 1 1 62 62 ASN N N 15 118.360 0.2 . 1 . . . . 62 ASN N . 15930 1 422 . 1 1 63 63 THR H H 1 7.959 0.02 . 1 . . . . 63 THR H . 15930 1 423 . 1 1 63 63 THR HA H 1 4.702 0.02 . 1 . . . . 63 THR HA . 15930 1 424 . 1 1 63 63 THR HB H 1 4.173 0.02 . 1 . . . . 63 THR HB . 15930 1 425 . 1 1 63 63 THR CA C 13 63.103 0.2 . 1 . . . . 63 THR CA . 15930 1 426 . 1 1 63 63 THR CB C 13 69.692 0.2 . 1 . . . . 63 THR CB . 15930 1 427 . 1 1 63 63 THR CG2 C 13 21.559 0.2 . 1 . . . . 63 THR CG2 . 15930 1 428 . 1 1 63 63 THR N N 15 113.932 0.2 . 1 . . . . 63 THR N . 15930 1 429 . 1 1 64 64 ASP H H 1 8.297 0.02 . 1 . . . . 64 ASP H . 15930 1 430 . 1 1 64 64 ASP HA H 1 4.567 0.02 . 1 . . . . 64 ASP HA . 15930 1 431 . 1 1 64 64 ASP HB2 H 1 2.758 0.02 . 1 . . . . 64 ASP HB2 . 15930 1 432 . 1 1 64 64 ASP CA C 13 54.372 0.2 . 1 . . . . 64 ASP CA . 15930 1 433 . 1 1 64 64 ASP CB C 13 38.267 0.2 . 1 . . . . 64 ASP CB . 15930 1 434 . 1 1 64 64 ASP N N 15 120.398 0.2 . 1 . . . . 64 ASP N . 15930 1 435 . 1 1 65 65 TYR H H 1 8.003 0.02 . 1 . . . . 65 TYR H . 15930 1 436 . 1 1 65 65 TYR HA H 1 4.464 0.02 . 1 . . . . 65 TYR HA . 15930 1 437 . 1 1 65 65 TYR HB2 H 1 2.998 0.02 . 1 . . . . 65 TYR HB2 . 15930 1 438 . 1 1 65 65 TYR CA C 13 59.264 0.2 . 1 . . . . 65 TYR CA . 15930 1 439 . 1 1 65 65 TYR CB C 13 38.398 0.2 . 1 . . . . 65 TYR CB . 15930 1 440 . 1 1 65 65 TYR N N 15 120.180 0.2 . 1 . . . . 65 TYR N . 15930 1 441 . 1 1 66 66 THR H H 1 7.858 0.02 . 1 . . . . 66 THR H . 15930 1 442 . 1 1 66 66 THR HA H 1 4.110 0.02 . 1 . . . . 66 THR HA . 15930 1 443 . 1 1 66 66 THR HB H 1 4.306 0.02 . 1 . . . . 66 THR HB . 15930 1 444 . 1 1 66 66 THR CA C 13 63.875 0.2 . 1 . . . . 66 THR CA . 15930 1 445 . 1 1 66 66 THR CB C 13 69.809 0.2 . 1 . . . . 66 THR CB . 15930 1 446 . 1 1 66 66 THR CG2 C 13 21.779 0.2 . 1 . . . . 66 THR CG2 . 15930 1 447 . 1 1 66 66 THR N N 15 113.769 0.2 . 1 . . . . 66 THR N . 15930 1 448 . 1 1 67 67 LEU H H 1 8.071 0.02 . 1 . . . . 67 LEU H . 15930 1 449 . 1 1 67 67 LEU HA H 1 4.236 0.02 . 1 . . . . 67 LEU HA . 15930 1 450 . 1 1 67 67 LEU HB2 H 1 1.662 0.02 . 2 . . . . 67 LEU HB2 . 15930 1 451 . 1 1 67 67 LEU HB3 H 1 1.507 0.02 . 2 . . . . 67 LEU HB3 . 15930 1 452 . 1 1 67 67 LEU CA C 13 55.612 0.2 . 1 . . . . 67 LEU CA . 15930 1 453 . 1 1 67 67 LEU CB C 13 42.083 0.2 . 1 . . . . 67 LEU CB . 15930 1 454 . 1 1 67 67 LEU CD1 C 13 24.836 0.2 . 2 . . . . 67 LEU CD1 . 15930 1 455 . 1 1 67 67 LEU CD2 C 13 23.356 0.2 . 2 . . . . 67 LEU CD2 . 15930 1 456 . 1 1 67 67 LEU CG C 13 27.142 0.2 . 1 . . . . 67 LEU CG . 15930 1 457 . 1 1 67 67 LEU N N 15 121.498 0.2 . 1 . . . . 67 LEU N . 15930 1 458 . 1 1 68 68 GLU H H 1 8.032 0.02 . 1 . . . . 68 GLU H . 15930 1 459 . 1 1 68 68 GLU HA H 1 4.211 0.02 . 1 . . . . 68 GLU HA . 15930 1 460 . 1 1 68 68 GLU HB2 H 1 2.005 0.02 . 1 . . . . 68 GLU HB2 . 15930 1 461 . 1 1 68 68 GLU CA C 13 56.046 0.2 . 1 . . . . 68 GLU CA . 15930 1 462 . 1 1 68 68 GLU CB C 13 28.616 0.2 . 1 . . . . 68 GLU CB . 15930 1 463 . 1 1 68 68 GLU CG C 13 33.158 0.2 . 1 . . . . 68 GLU CG . 15930 1 464 . 1 1 68 68 GLU N N 15 119.547 0.2 . 1 . . . . 68 GLU N . 15930 1 465 . 1 1 69 69 GLU H H 1 8.040 0.02 . 1 . . . . 69 GLU H . 15930 1 466 . 1 1 69 69 GLU HA H 1 4.120 0.02 . 1 . . . . 69 GLU HA . 15930 1 467 . 1 1 69 69 GLU HB2 H 1 2.051 0.02 . 1 . . . . 69 GLU HB2 . 15930 1 468 . 1 1 69 69 GLU CA C 13 57.485 0.2 . 1 . . . . 69 GLU CA . 15930 1 469 . 1 1 69 69 GLU CB C 13 28.506 0.2 . 1 . . . . 69 GLU CB . 15930 1 470 . 1 1 69 69 GLU CG C 13 33.322 0.2 . 1 . . . . 69 GLU CG . 15930 1 471 . 1 1 69 69 GLU N N 15 119.342 0.2 . 1 . . . . 69 GLU N . 15930 1 472 . 1 1 70 70 VAL H H 1 7.929 0.02 . 1 . . . . 70 VAL H . 15930 1 473 . 1 1 70 70 VAL HA H 1 3.829 0.02 . 1 . . . . 70 VAL HA . 15930 1 474 . 1 1 70 70 VAL HB H 1 2.079 0.02 . 1 . . . . 70 VAL HB . 15930 1 475 . 1 1 70 70 VAL CA C 13 64.660 0.2 . 1 . . . . 70 VAL CA . 15930 1 476 . 1 1 70 70 VAL CB C 13 32.368 0.2 . 1 . . . . 70 VAL CB . 15930 1 477 . 1 1 70 70 VAL CG1 C 13 21.331 0.2 . 1 . . . . 70 VAL CG1 . 15930 1 478 . 1 1 70 70 VAL N N 15 119.145 0.2 . 1 . . . . 70 VAL N . 15930 1 479 . 1 1 71 71 GLY H H 1 8.255 0.02 . 1 . . . . 71 GLY H . 15930 1 480 . 1 1 71 71 GLY HA2 H 1 3.902 0.02 . 1 . . . . 71 GLY HA2 . 15930 1 481 . 1 1 71 71 GLY CA C 13 46.320 0.2 . 1 . . . . 71 GLY CA . 15930 1 482 . 1 1 71 71 GLY N N 15 108.785 0.2 . 1 . . . . 71 GLY N . 15930 1 483 . 1 1 72 72 LYS H H 1 7.967 0.02 . 1 . . . . 72 LYS H . 15930 1 484 . 1 1 72 72 LYS HA H 1 4.197 0.02 . 1 . . . . 72 LYS HA . 15930 1 485 . 1 1 72 72 LYS HB2 H 1 1.834 0.02 . 1 . . . . 72 LYS HB2 . 15930 1 486 . 1 1 72 72 LYS CA C 13 57.825 0.2 . 1 . . . . 72 LYS CA . 15930 1 487 . 1 1 72 72 LYS CB C 13 32.567 0.2 . 1 . . . . 72 LYS CB . 15930 1 488 . 1 1 72 72 LYS CD C 13 29.178 0.2 . 1 . . . . 72 LYS CD . 15930 1 489 . 1 1 72 72 LYS CG C 13 25.047 0.2 . 1 . . . . 72 LYS CG . 15930 1 490 . 1 1 72 72 LYS N N 15 120.591 0.2 . 1 . . . . 72 LYS N . 15930 1 491 . 1 1 73 73 GLN H H 1 8.164 0.02 . 1 . . . . 73 GLN H . 15930 1 492 . 1 1 73 73 GLN HB2 H 1 3.109 0.02 . 1 . . . . 73 GLN HB2 . 15930 1 493 . 1 1 73 73 GLN N N 15 118.454 0.2 . 1 . . . . 73 GLN N . 15930 1 494 . 1 1 74 74 PHE HA H 1 4.425 0.02 . 1 . . . . 74 PHE HA . 15930 1 495 . 1 1 74 74 PHE HB2 H 1 3.110 0.02 . 1 . . . . 74 PHE HB2 . 15930 1 496 . 1 1 74 74 PHE CB C 13 39.145 0.2 . 1 . . . . 74 PHE CB . 15930 1 497 . 1 1 75 75 ASP H H 1 8.168 0.02 . 1 . . . . 75 ASP H . 15930 1 498 . 1 1 75 75 ASP HA H 1 4.444 0.02 . 1 . . . . 75 ASP HA . 15930 1 499 . 1 1 75 75 ASP HB2 H 1 2.877 0.02 . 1 . . . . 75 ASP HB2 . 15930 1 500 . 1 1 75 75 ASP CB C 13 38.853 0.2 . 1 . . . . 75 ASP CB . 15930 1 501 . 1 1 75 75 ASP N N 15 119.596 0.2 . 1 . . . . 75 ASP N . 15930 1 502 . 1 1 76 76 VAL H H 1 8.108 0.02 . 1 . . . . 76 VAL H . 15930 1 503 . 1 1 76 76 VAL HA H 1 3.847 0.02 . 1 . . . . 76 VAL HA . 15930 1 504 . 1 1 76 76 VAL HB H 1 2.118 0.02 . 1 . . . . 76 VAL HB . 15930 1 505 . 1 1 76 76 VAL CA C 13 65.596 0.2 . 1 . . . . 76 VAL CA . 15930 1 506 . 1 1 76 76 VAL CB C 13 32.041 0.2 . 1 . . . . 76 VAL CB . 15930 1 507 . 1 1 76 76 VAL CG1 C 13 21.319 0.2 . 1 . . . . 76 VAL CG1 . 15930 1 508 . 1 1 76 76 VAL N N 15 120.317 0.2 . 1 . . . . 76 VAL N . 15930 1 509 . 1 1 77 77 THR H H 1 7.892 0.02 . 1 . . . . 77 THR H . 15930 1 510 . 1 1 77 77 THR HA H 1 3.669 0.02 . 1 . . . . 77 THR HA . 15930 1 511 . 1 1 77 77 THR HB H 1 2.175 0.02 . 1 . . . . 77 THR HB . 15930 1 512 . 1 1 77 77 THR CB C 13 69.236 0.2 . 1 . . . . 77 THR CB . 15930 1 513 . 1 1 77 77 THR N N 15 116.733 0.2 . 1 . . . . 77 THR N . 15930 1 514 . 1 1 78 78 ARG H H 1 8.179 0.02 . 1 . . . . 78 ARG H . 15930 1 515 . 1 1 78 78 ARG HA H 1 4.066 0.02 . 1 . . . . 78 ARG HA . 15930 1 516 . 1 1 78 78 ARG HB2 H 1 1.630 0.02 . 2 . . . . 78 ARG HB2 . 15930 1 517 . 1 1 78 78 ARG HB3 H 1 1.462 0.02 . 2 . . . . 78 ARG HB3 . 15930 1 518 . 1 1 78 78 ARG CA C 13 57.356 0.2 . 1 . . . . 78 ARG CA . 15930 1 519 . 1 1 78 78 ARG CB C 13 30.285 0.2 . 1 . . . . 78 ARG CB . 15930 1 520 . 1 1 78 78 ARG CD C 13 43.083 0.2 . 1 . . . . 78 ARG CD . 15930 1 521 . 1 1 78 78 ARG CG C 13 26.797 0.2 . 1 . . . . 78 ARG CG . 15930 1 522 . 1 1 78 78 ARG N N 15 120.254 0.2 . 1 . . . . 78 ARG N . 15930 1 523 . 1 1 79 79 GLU H H 1 7.935 0.02 . 1 . . . . 79 GLU H . 15930 1 524 . 1 1 79 79 GLU HA H 1 4.124 0.02 . 1 . . . . 79 GLU HA . 15930 1 525 . 1 1 79 79 GLU HB2 H 1 2.005 0.02 . 1 . . . . 79 GLU HB2 . 15930 1 526 . 1 1 79 79 GLU CA C 13 57.942 0.2 . 1 . . . . 79 GLU CA . 15930 1 527 . 1 1 79 79 GLU CB C 13 30.249 0.2 . 1 . . . . 79 GLU CB . 15930 1 528 . 1 1 79 79 GLU CG C 13 33.667 0.2 . 1 . . . . 79 GLU CG . 15930 1 529 . 1 1 79 79 GLU N N 15 115.935 0.2 . 1 . . . . 79 GLU N . 15930 1 530 . 1 1 80 80 ARG H H 1 8.206 0.02 . 1 . . . . 80 ARG H . 15930 1 531 . 1 1 80 80 ARG HA H 1 3.896 0.02 . 1 . . . . 80 ARG HA . 15930 1 532 . 1 1 80 80 ARG HB2 H 1 1.767 0.02 . 1 . . . . 80 ARG HB2 . 15930 1 533 . 1 1 80 80 ARG CA C 13 59.326 0.2 . 1 . . . . 80 ARG CA . 15930 1 534 . 1 1 80 80 ARG CB C 13 30.273 0.2 . 1 . . . . 80 ARG CB . 15930 1 535 . 1 1 80 80 ARG CD C 13 43.405 0.2 . 1 . . . . 80 ARG CD . 15930 1 536 . 1 1 80 80 ARG CG C 13 27.628 0.2 . 1 . . . . 80 ARG CG . 15930 1 537 . 1 1 80 80 ARG N N 15 120.363 0.2 . 1 . . . . 80 ARG N . 15930 1 538 . 1 1 81 81 ILE H H 1 7.966 0.02 . 1 . . . . 81 ILE H . 15930 1 539 . 1 1 81 81 ILE HA H 1 3.713 0.02 . 1 . . . . 81 ILE HA . 15930 1 540 . 1 1 81 81 ILE HB H 1 1.863 0.02 . 1 . . . . 81 ILE HB . 15930 1 541 . 1 1 81 81 ILE CB C 13 37.694 0.2 . 1 . . . . 81 ILE CB . 15930 1 542 . 1 1 81 81 ILE N N 15 118.559 0.2 . 1 . . . . 81 ILE N . 15930 1 543 . 1 1 82 82 ARG H H 1 7.987 0.02 . 1 . . . . 82 ARG H . 15930 1 544 . 1 1 82 82 ARG HA H 1 4.057 0.02 . 1 . . . . 82 ARG HA . 15930 1 545 . 1 1 82 82 ARG HB2 H 1 1.907 0.02 . 1 . . . . 82 ARG HB2 . 15930 1 546 . 1 1 82 82 ARG CA C 13 56.092 0.2 . 1 . . . . 82 ARG CA . 15930 1 547 . 1 1 82 82 ARG CB C 13 30.343 0.2 . 1 . . . . 82 ARG CB . 15930 1 548 . 1 1 82 82 ARG CD C 13 42.547 0.2 . 1 . . . . 82 ARG CD . 15930 1 549 . 1 1 82 82 ARG CG C 13 27.747 0.2 . 1 . . . . 82 ARG CG . 15930 1 550 . 1 1 82 82 ARG N N 15 119.937 0.2 . 1 . . . . 82 ARG N . 15930 1 551 . 1 1 83 83 GLN H H 1 8.044 0.02 . 1 . . . . 83 GLN H . 15930 1 552 . 1 1 83 83 GLN HA H 1 4.261 0.02 . 1 . . . . 83 GLN HA . 15930 1 553 . 1 1 83 83 GLN HB2 H 1 2.157 0.02 . 2 . . . . 83 GLN HB2 . 15930 1 554 . 1 1 83 83 GLN HB3 H 1 2.005 0.02 . 2 . . . . 83 GLN HB3 . 15930 1 555 . 1 1 83 83 GLN CG C 13 33.400 0.2 . 1 . . . . 83 GLN CG . 15930 1 556 . 1 1 83 83 GLN N N 15 117.876 0.2 . 1 . . . . 83 GLN N . 15930 1 557 . 1 1 84 84 ILE H H 1 8.128 0.02 . 1 . . . . 84 ILE H . 15930 1 558 . 1 1 84 84 ILE HA H 1 3.717 0.02 . 1 . . . . 84 ILE HA . 15930 1 559 . 1 1 84 84 ILE HB H 1 1.932 0.02 . 1 . . . . 84 ILE HB . 15930 1 560 . 1 1 84 84 ILE CA C 13 65.022 0.2 . 1 . . . . 84 ILE CA . 15930 1 561 . 1 1 84 84 ILE CB C 13 38.454 0.2 . 1 . . . . 84 ILE CB . 15930 1 562 . 1 1 84 84 ILE CG2 C 13 17.056 0.2 . 1 . . . . 84 ILE CG2 . 15930 1 563 . 1 1 84 84 ILE N N 15 120.837 0.2 . 1 . . . . 84 ILE N . 15930 1 564 . 1 1 85 85 GLU H H 1 8.442 0.02 . 1 . . . . 85 GLU H . 15930 1 565 . 1 1 85 85 GLU HA H 1 4.082 0.02 . 1 . . . . 85 GLU HA . 15930 1 566 . 1 1 85 85 GLU HB2 H 1 2.114 0.02 . 1 . . . . 85 GLU HB2 . 15930 1 567 . 1 1 85 85 GLU CA C 13 58.305 0.2 . 1 . . . . 85 GLU CA . 15930 1 568 . 1 1 85 85 GLU CG C 13 33.342 0.2 . 1 . . . . 85 GLU CG . 15930 1 569 . 1 1 85 85 GLU N N 15 119.878 0.2 . 1 . . . . 85 GLU N . 15930 1 570 . 1 1 86 86 ALA H H 1 8.069 0.02 . 1 . . . . 86 ALA H . 15930 1 571 . 1 1 86 86 ALA HA H 1 4.083 0.02 . 1 . . . . 86 ALA HA . 15930 1 572 . 1 1 86 86 ALA HB1 H 1 1.430 0.02 . 1 . . . . 86 ALA HB . 15930 1 573 . 1 1 86 86 ALA HB2 H 1 1.430 0.02 . 1 . . . . 86 ALA HB . 15930 1 574 . 1 1 86 86 ALA HB3 H 1 1.430 0.02 . 1 . . . . 86 ALA HB . 15930 1 575 . 1 1 86 86 ALA CB C 13 18.452 0.2 . 1 . . . . 86 ALA CB . 15930 1 576 . 1 1 86 86 ALA N N 15 120.272 0.2 . 1 . . . . 86 ALA N . 15930 1 577 . 1 1 87 87 LYS H H 1 8.014 0.02 . 1 . . . . 87 LYS H . 15930 1 578 . 1 1 87 87 LYS HA H 1 4.014 0.02 . 1 . . . . 87 LYS HA . 15930 1 579 . 1 1 87 87 LYS HB2 H 1 1.885 0.02 . 1 . . . . 87 LYS HB2 . 15930 1 580 . 1 1 87 87 LYS CA C 13 58.667 0.2 . 1 . . . . 87 LYS CA . 15930 1 581 . 1 1 87 87 LYS CB C 13 32.591 0.2 . 1 . . . . 87 LYS CB . 15930 1 582 . 1 1 87 87 LYS CE C 13 42.009 0.2 . 1 . . . . 87 LYS CE . 15930 1 583 . 1 1 87 87 LYS CG C 13 25.278 0.2 . 1 . . . . 87 LYS CG . 15930 1 584 . 1 1 87 87 LYS N N 15 118.002 0.2 . 1 . . . . 87 LYS N . 15930 1 585 . 1 1 88 88 ALA H H 1 7.954 0.02 . 1 . . . . 88 ALA H . 15930 1 586 . 1 1 88 88 ALA HA H 1 3.987 0.02 . 1 . . . . 88 ALA HA . 15930 1 587 . 1 1 88 88 ALA HB1 H 1 1.430 0.02 . 1 . . . . 88 ALA HB . 15930 1 588 . 1 1 88 88 ALA HB2 H 1 1.430 0.02 . 1 . . . . 88 ALA HB . 15930 1 589 . 1 1 88 88 ALA HB3 H 1 1.430 0.02 . 1 . . . . 88 ALA HB . 15930 1 590 . 1 1 88 88 ALA CA C 13 54.942 0.2 . 1 . . . . 88 ALA CA . 15930 1 591 . 1 1 88 88 ALA CB C 13 18.254 0.2 . 1 . . . . 88 ALA CB . 15930 1 592 . 1 1 88 88 ALA N N 15 122.207 0.2 . 1 . . . . 88 ALA N . 15930 1 593 . 1 1 89 89 LEU H H 1 7.722 0.02 . 1 . . . . 89 LEU H . 15930 1 594 . 1 1 89 89 LEU HA H 1 4.306 0.02 . 1 . . . . 89 LEU HA . 15930 1 595 . 1 1 89 89 LEU HB2 H 1 1.553 0.02 . 1 . . . . 89 LEU HB2 . 15930 1 596 . 1 1 89 89 LEU CA C 13 55.179 0.2 . 1 . . . . 89 LEU CA . 15930 1 597 . 1 1 89 89 LEU CB C 13 42.668 0.2 . 1 . . . . 89 LEU CB . 15930 1 598 . 1 1 89 89 LEU CD1 C 13 24.856 0.2 . 2 . . . . 89 LEU CD1 . 15930 1 599 . 1 1 89 89 LEU CD2 C 13 23.364 0.2 . 2 . . . . 89 LEU CD2 . 15930 1 600 . 1 1 89 89 LEU N N 15 117.810 0.2 . 1 . . . . 89 LEU N . 15930 1 601 . 1 1 90 90 ARG H H 1 7.915 0.02 . 1 . . . . 90 ARG H . 15930 1 602 . 1 1 90 90 ARG HA H 1 4.115 0.02 . 1 . . . . 90 ARG HA . 15930 1 603 . 1 1 90 90 ARG HB2 H 1 1.743 0.02 . 2 . . . . 90 ARG HB2 . 15930 1 604 . 1 1 90 90 ARG HB3 H 1 1.545 0.02 . 2 . . . . 90 ARG HB3 . 15930 1 605 . 1 1 90 90 ARG CA C 13 57.930 0.2 . 1 . . . . 90 ARG CA . 15930 1 606 . 1 1 90 90 ARG CB C 13 30.367 0.2 . 1 . . . . 90 ARG CB . 15930 1 607 . 1 1 90 90 ARG CD C 13 43.495 0.2 . 1 . . . . 90 ARG CD . 15930 1 608 . 1 1 90 90 ARG CG C 13 27.525 0.2 . 1 . . . . 90 ARG CG . 15930 1 609 . 1 1 90 90 ARG N N 15 120.775 0.2 . 1 . . . . 90 ARG N . 15930 1 610 . 1 1 91 91 LYS H H 1 7.744 0.02 . 1 . . . . 91 LYS H . 15930 1 611 . 1 1 91 91 LYS HA H 1 4.211 0.02 . 1 . . . . 91 LYS HA . 15930 1 612 . 1 1 91 91 LYS HB2 H 1 1.837 0.02 . 1 . . . . 91 LYS HB2 . 15930 1 613 . 1 1 91 91 LYS CA C 13 56.830 0.2 . 1 . . . . 91 LYS CA . 15930 1 614 . 1 1 91 91 LYS CB C 13 33.188 0.2 . 1 . . . . 91 LYS CB . 15930 1 615 . 1 1 91 91 LYS CD C 13 29.093 0.2 . 1 . . . . 91 LYS CD . 15930 1 616 . 1 1 91 91 LYS CE C 13 42.213 0.2 . 1 . . . . 91 LYS CE . 15930 1 617 . 1 1 91 91 LYS CG C 13 25.038 0.2 . 1 . . . . 91 LYS CG . 15930 1 618 . 1 1 91 91 LYS N N 15 118.576 0.2 . 1 . . . . 91 LYS N . 15930 1 619 . 1 1 92 92 LEU H H 1 7.774 0.02 . 1 . . . . 92 LEU H . 15930 1 620 . 1 1 92 92 LEU HA H 1 4.224 0.02 . 1 . . . . 92 LEU HA . 15930 1 621 . 1 1 92 92 LEU HB2 H 1 1.673 0.02 . 2 . . . . 92 LEU HB2 . 15930 1 622 . 1 1 92 92 LEU HB3 H 1 1.498 0.02 . 2 . . . . 92 LEU HB3 . 15930 1 623 . 1 1 92 92 LEU CA C 13 55.425 0.2 . 1 . . . . 92 LEU CA . 15930 1 624 . 1 1 92 92 LEU CB C 13 42.503 0.2 . 1 . . . . 92 LEU CB . 15930 1 625 . 1 1 92 92 LEU CD1 C 13 25.082 0.2 . 2 . . . . 92 LEU CD1 . 15930 1 626 . 1 1 92 92 LEU CD2 C 13 23.373 0.2 . 2 . . . . 92 LEU CD2 . 15930 1 627 . 1 1 92 92 LEU CG C 13 27.177 0.2 . 1 . . . . 92 LEU CG . 15930 1 628 . 1 1 92 92 LEU N N 15 120.373 0.2 . 1 . . . . 92 LEU N . 15930 1 629 . 1 1 93 93 ARG H H 1 8.022 0.02 . 1 . . . . 93 ARG H . 15930 1 630 . 1 1 93 93 ARG HA H 1 4.197 0.02 . 1 . . . . 93 ARG HA . 15930 1 631 . 1 1 93 93 ARG HB2 H 1 1.707 0.02 . 1 . . . . 93 ARG HB2 . 15930 1 632 . 1 1 93 93 ARG CA C 13 56.233 0.2 . 1 . . . . 93 ARG CA . 15930 1 633 . 1 1 93 93 ARG CB C 13 30.789 0.2 . 1 . . . . 93 ARG CB . 15930 1 634 . 1 1 93 93 ARG CD C 13 43.316 0.2 . 1 . . . . 93 ARG CD . 15930 1 635 . 1 1 93 93 ARG CG C 13 27.165 0.2 . 1 . . . . 93 ARG CG . 15930 1 636 . 1 1 93 93 ARG N N 15 119.664 0.2 . 1 . . . . 93 ARG N . 15930 1 637 . 1 1 94 94 HIS H H 1 8.334 0.02 . 1 . . . . 94 HIS H . 15930 1 638 . 1 1 94 94 HIS HA H 1 4.478 0.02 . 1 . . . . 94 HIS HA . 15930 1 639 . 1 1 94 94 HIS N N 15 118.400 0.2 . 1 . . . . 94 HIS N . 15930 1 640 . 1 1 95 95 PRO HA H 1 4.478 0.02 . 1 . . . . 95 PRO HA . 15930 1 641 . 1 1 95 95 PRO HB2 H 1 2.219 0.02 . 2 . . . . 95 PRO HB2 . 15930 1 642 . 1 1 95 95 PRO HB3 H 1 1.907 0.02 . 2 . . . . 95 PRO HB3 . 15930 1 643 . 1 1 95 95 PRO CA C 13 63.185 0.2 . 1 . . . . 95 PRO CA . 15930 1 644 . 1 1 95 95 PRO CB C 13 32.474 0.2 . 1 . . . . 95 PRO CB . 15930 1 645 . 1 1 95 95 PRO CD C 13 50.514 0.2 . 1 . . . . 95 PRO CD . 15930 1 646 . 1 1 95 95 PRO CG C 13 27.177 0.2 . 1 . . . . 95 PRO CG . 15930 1 647 . 1 1 96 96 SER H H 1 8.308 0.02 . 1 . . . . 96 SER H . 15930 1 648 . 1 1 96 96 SER HA H 1 4.499 0.02 . 1 . . . . 96 SER HA . 15930 1 649 . 1 1 96 96 SER HB2 H 1 4.029 0.02 . 2 . . . . 96 SER HB2 . 15930 1 650 . 1 1 96 96 SER HB3 H 1 3.885 0.02 . 2 . . . . 96 SER HB3 . 15930 1 651 . 1 1 96 96 SER CA C 13 57.661 0.2 . 1 . . . . 96 SER CA . 15930 1 652 . 1 1 96 96 SER CB C 13 64.402 0.2 . 1 . . . . 96 SER CB . 15930 1 653 . 1 1 96 96 SER N N 15 116.230 0.2 . 1 . . . . 96 SER N . 15930 1 654 . 1 1 97 97 ARG H H 1 8.574 0.02 . 1 . . . . 97 ARG H . 15930 1 655 . 1 1 97 97 ARG HA H 1 4.190 0.02 . 1 . . . . 97 ARG HA . 15930 1 656 . 1 1 97 97 ARG HB2 H 1 1.834 0.02 . 1 . . . . 97 ARG HB2 . 15930 1 657 . 1 1 97 97 ARG CA C 13 57.906 0.2 . 1 . . . . 97 ARG CA . 15930 1 658 . 1 1 97 97 ARG CB C 13 30.308 0.2 . 1 . . . . 97 ARG CB . 15930 1 659 . 1 1 97 97 ARG CD C 13 43.410 0.2 . 1 . . . . 97 ARG CD . 15930 1 660 . 1 1 97 97 ARG CG C 13 27.200 0.2 . 1 . . . . 97 ARG CG . 15930 1 661 . 1 1 97 97 ARG N N 15 122.514 0.2 . 1 . . . . 97 ARG N . 15930 1 662 . 1 1 98 98 SER H H 1 8.262 0.02 . 1 . . . . 98 SER H . 15930 1 663 . 1 1 98 98 SER HA H 1 4.260 0.02 . 1 . . . . 98 SER HA . 15930 1 664 . 1 1 98 98 SER HB2 H 1 3.883 0.02 . 1 . . . . 98 SER HB2 . 15930 1 665 . 1 1 98 98 SER CA C 13 59.803 0.2 . 1 . . . . 98 SER CA . 15930 1 666 . 1 1 98 98 SER CB C 13 63.313 0.2 . 1 . . . . 98 SER CB . 15930 1 667 . 1 1 98 98 SER N N 15 114.336 0.2 . 1 . . . . 98 SER N . 15930 1 668 . 1 1 99 99 GLU H H 1 8.011 0.02 . 1 . . . . 99 GLU H . 15930 1 669 . 1 1 99 99 GLU HA H 1 4.208 0.02 . 1 . . . . 99 GLU HA . 15930 1 670 . 1 1 99 99 GLU HB2 H 1 2.065 0.02 . 1 . . . . 99 GLU HB2 . 15930 1 671 . 1 1 99 99 GLU CA C 13 57.169 0.02 . 1 . . . . 99 GLU CA . 15930 1 672 . 1 1 99 99 GLU CB C 13 29.033 0.2 . 1 . . . . 99 GLU CB . 15930 1 673 . 1 1 99 99 GLU CG C 13 33.672 0.2 . 1 . . . . 99 GLU CG . 15930 1 674 . 1 1 99 99 GLU N N 15 121.910 0.2 . 1 . . . . 99 GLU N . 15930 1 675 . 1 1 100 100 VAL H H 1 7.981 0.02 . 1 . . . . 100 VAL H . 15930 1 676 . 1 1 100 100 VAL HA H 1 4.369 0.02 . 1 . . . . 100 VAL HA . 15930 1 677 . 1 1 100 100 VAL HB H 1 2.030 0.02 . 1 . . . . 100 VAL HB . 15930 1 678 . 1 1 100 100 VAL CA C 13 64.133 0.2 . 1 . . . . 100 VAL CA . 15930 1 679 . 1 1 100 100 VAL CB C 13 32.415 0.2 . 1 . . . . 100 VAL CB . 15930 1 680 . 1 1 100 100 VAL N N 15 120.441 0.2 . 1 . . . . 100 VAL N . 15930 1 681 . 1 1 101 101 LEU H H 1 8.086 0.02 . 1 . . . . 101 LEU H . 15930 1 682 . 1 1 101 101 LEU HA H 1 4.004 0.02 . 1 . . . . 101 LEU HA . 15930 1 683 . 1 1 101 101 LEU HB2 H 1 1.562 0.02 . 1 . . . . 101 LEU HB2 . 15930 1 684 . 1 1 101 101 LEU CA C 13 55.365 0.2 . 1 . . . . 101 LEU CA . 15930 1 685 . 1 1 101 101 LEU CB C 13 42.106 0.2 . 1 . . . . 101 LEU CB . 15930 1 686 . 1 1 101 101 LEU CD1 C 13 24.754 0.2 . 2 . . . . 101 LEU CD1 . 15930 1 687 . 1 1 101 101 LEU CD2 C 13 23.607 0.2 . 2 . . . . 101 LEU CD2 . 15930 1 688 . 1 1 101 101 LEU CG C 13 27.200 0.2 . 1 . . . . 101 LEU CG . 15930 1 689 . 1 1 101 101 LEU N N 15 124.151 0.2 . 1 . . . . 101 LEU N . 15930 1 690 . 1 1 102 102 ARG H H 1 8.128 0.02 . 1 . . . . 102 ARG H . 15930 1 691 . 1 1 102 102 ARG HA H 1 4.131 0.02 . 1 . . . . 102 ARG HA . 15930 1 692 . 1 1 102 102 ARG HB2 H 1 1.798 0.02 . 1 . . . . 102 ARG HB2 . 15930 1 693 . 1 1 102 102 ARG CA C 13 57.473 0.2 . 1 . . . . 102 ARG CA . 15930 1 694 . 1 1 102 102 ARG CB C 13 30.308 0.2 . 1 . . . . 102 ARG CB . 15930 1 695 . 1 1 102 102 ARG CD C 13 43.387 0.2 . 1 . . . . 102 ARG CD . 15930 1 696 . 1 1 102 102 ARG CG C 13 27.247 0.2 . 1 . . . . 102 ARG CG . 15930 1 697 . 1 1 102 102 ARG N N 15 120.522 0.2 . 1 . . . . 102 ARG N . 15930 1 698 . 1 1 103 103 SER H H 1 7.927 0.02 . 1 . . . . 103 SER H . 15930 1 699 . 1 1 103 103 SER HA H 1 4.295 0.02 . 1 . . . . 103 SER HA . 15930 1 700 . 1 1 103 103 SER HB2 H 1 3.797 0.02 . 1 . . . . 103 SER HB2 . 15930 1 701 . 1 1 103 103 SER CA C 13 59.639 0.2 . 1 . . . . 103 SER CA . 15930 1 702 . 1 1 103 103 SER CB C 13 63.723 0.2 . 1 . . . . 103 SER CB . 15930 1 703 . 1 1 103 103 SER N N 15 114.858 0.2 . 1 . . . . 103 SER N . 15930 1 704 . 1 1 104 104 PHE H H 1 7.924 0.02 . 1 . . . . 104 PHE H . 15930 1 705 . 1 1 104 104 PHE HA H 1 4.541 0.02 . 1 . . . . 104 PHE HA . 15930 1 706 . 1 1 104 104 PHE HB2 H 1 3.093 0.02 . 1 . . . . 104 PHE HB2 . 15930 1 707 . 1 1 104 104 PHE CB C 13 39.520 0.2 . 1 . . . . 104 PHE CB . 15930 1 708 . 1 1 104 104 PHE N N 15 120.667 0.2 . 1 . . . . 104 PHE N . 15930 1 709 . 1 1 105 105 LEU H H 1 7.877 0.02 . 1 . . . . 105 LEU H . 15930 1 710 . 1 1 105 105 LEU HA H 1 4.077 0.02 . 1 . . . . 105 LEU HA . 15930 1 711 . 1 1 105 105 LEU HB2 H 1 1.621 0.02 . 1 . . . . 105 LEU HB2 . 15930 1 712 . 1 1 105 105 LEU CA C 13 55.484 0.2 . 1 . . . . 105 LEU CA . 15930 1 713 . 1 1 105 105 LEU CB C 13 42.375 0.2 . 1 . . . . 105 LEU CB . 15930 1 714 . 1 1 105 105 LEU CD1 C 13 24.988 0.2 . 2 . . . . 105 LEU CD1 . 15930 1 715 . 1 1 105 105 LEU CD2 C 13 23.349 0.2 . 2 . . . . 105 LEU CD2 . 15930 1 716 . 1 1 105 105 LEU CG C 13 27.188 0.2 . 1 . . . . 105 LEU CG . 15930 1 717 . 1 1 105 105 LEU N N 15 120.211 0.2 . 1 . . . . 105 LEU N . 15930 1 718 . 1 1 106 106 ASP H H 1 8.058 0.02 . 1 . . . . 106 ASP H . 15930 1 719 . 1 1 106 106 ASP HA H 1 4.683 0.02 . 1 . . . . 106 ASP HA . 15930 1 720 . 1 1 106 106 ASP HB2 H 1 2.919 0.02 . 2 . . . . 106 ASP HB2 . 15930 1 721 . 1 1 106 106 ASP HB3 H 1 2.753 0.02 . 2 . . . . 106 ASP HB3 . 15930 1 722 . 1 1 106 106 ASP CA C 13 53.003 0.2 . 1 . . . . 106 ASP CA . 15930 1 723 . 1 1 106 106 ASP CB C 13 38.501 0.2 . 1 . . . . 106 ASP CB . 15930 1 724 . 1 1 106 106 ASP N N 15 118.045 0.2 . 1 . . . . 106 ASP N . 15930 1 725 . 1 1 107 107 ASP H H 1 7.882 0.02 . 1 . . . . 107 ASP H . 15930 1 726 . 1 1 107 107 ASP N N 15 120.920 0.2 . 1 . . . . 107 ASP N . 15930 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 15930 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 500 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units ms _Heteronucl_T1_list.Details '0.01, 0.09, 0.17, 0.29, 0.41, 0.55, 0.69, 0.85, 1.01, 1.25' _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 12 '{1H-} -15N T1' . . . 15930 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 SER N N 15 1.61 0.11 . . . . . 15930 1 2 . 1 1 4 4 SER N N 15 1.07 0.19 . . . . . 15930 1 3 . 1 1 5 5 HIS N N 15 0.91 0.22 . . . . . 15930 1 4 . 1 1 6 6 HIS N N 15 0.78 0.02 . . . . . 15930 1 5 . 1 1 7 7 HIS N N 15 0.66 0.01 . . . . . 15930 1 6 . 1 1 8 8 HIS N N 15 0.65 0.03 . . . . . 15930 1 7 . 1 1 9 9 HIS N N 15 0.66 0.02 . . . . . 15930 1 8 . 1 1 10 10 HIS N N 15 0.60 0.04 . . . . . 15930 1 9 . 1 1 11 11 SER N N 15 0.68 0.03 . . . . . 15930 1 10 . 1 1 12 12 SER N N 15 0.94 0.11 . . . . . 15930 1 11 . 1 1 13 13 GLY N N 15 0.80 0.02 . . . . . 15930 1 12 . 1 1 14 14 LEU N N 15 0.70 0.01 . . . . . 15930 1 13 . 1 1 15 15 VAL N N 15 0.82 0.04 . . . . . 15930 1 14 . 1 1 17 17 ARG N N 15 0.69 0.15 . . . . . 15930 1 15 . 1 1 18 18 GLY N N 15 0.70 0.02 . . . . . 15930 1 16 . 1 1 19 19 SER N N 15 0.68 0.01 . . . . . 15930 1 17 . 1 1 20 20 HIS N N 15 0.68 0.01 . . . . . 15930 1 18 . 1 1 21 21 MET N N 15 0.66 0.01 . . . . . 15930 1 19 . 1 1 22 22 LEU N N 15 0.63 0.03 . . . . . 15930 1 20 . 1 1 23 23 GLU N N 15 0.62 0.04 . . . . . 15930 1 21 . 1 1 24 24 LEU N N 15 0.68 0.03 . . . . . 15930 1 22 . 1 1 26 26 LEU N N 15 0.60 0.01 . . . . . 15930 1 23 . 1 1 27 27 ASP N N 15 0.62 0.02 . . . . . 15930 1 24 . 1 1 28 28 SER N N 15 0.59 0.05 . . . . . 15930 1 25 . 1 1 29 29 ALA N N 15 0.56 0.01 . . . . . 15930 1 26 . 1 1 30 30 THR N N 15 0.63 0.05 . . . . . 15930 1 27 . 1 1 31 31 THR N N 15 0.55 0.01 . . . . . 15930 1 28 . 1 1 32 32 GLU N N 15 0.56 0.00 . . . . . 15930 1 29 . 1 1 33 33 SER N N 15 0.57 0.01 . . . . . 15930 1 30 . 1 1 34 34 LEU N N 15 0.58 0.02 . . . . . 15930 1 31 . 1 1 35 35 ARG N N 15 0.61 0.02 . . . . . 15930 1 32 . 1 1 36 36 ALA N N 15 0.61 0.02 . . . . . 15930 1 33 . 1 1 37 37 ALA N N 15 0.60 0.01 . . . . . 15930 1 34 . 1 1 38 38 THR N N 15 0.64 0.02 . . . . . 15930 1 35 . 1 1 39 39 HIS N N 15 0.59 0.02 . . . . . 15930 1 36 . 1 1 40 40 ASP N N 15 0.67 0.06 . . . . . 15930 1 37 . 1 1 41 41 VAL N N 15 0.36 0.07 . . . . . 15930 1 38 . 1 1 42 42 LEU N N 15 0.57 0.01 . . . . . 15930 1 39 . 1 1 43 43 ALA N N 15 0.58 0.01 . . . . . 15930 1 40 . 1 1 44 44 GLY N N 15 0.60 0.01 . . . . . 15930 1 41 . 1 1 45 45 LEU N N 15 0.59 0.03 . . . . . 15930 1 42 . 1 1 46 46 THR N N 15 0.55 0.01 . . . . . 15930 1 43 . 1 1 47 47 ALA N N 15 0.52 0.02 . . . . . 15930 1 44 . 1 1 48 48 ARG N N 15 0.57 0.01 . . . . . 15930 1 45 . 1 1 49 49 GLU N N 15 0.50 0.06 . . . . . 15930 1 46 . 1 1 50 50 ALA N N 15 0.51 0.01 . . . . . 15930 1 47 . 1 1 51 51 LYS N N 15 0.65 0.04 . . . . . 15930 1 48 . 1 1 52 52 VAL N N 15 0.56 0.01 . . . . . 15930 1 49 . 1 1 53 53 LEU N N 15 0.64 0.02 . . . . . 15930 1 50 . 1 1 54 54 ARG N N 15 0.59 0.02 . . . . . 15930 1 51 . 1 1 55 55 MET N N 15 0.61 0.02 . . . . . 15930 1 52 . 1 1 56 56 ARG N N 15 0.64 0.02 . . . . . 15930 1 53 . 1 1 57 57 PHE N N 15 0.58 0.03 . . . . . 15930 1 54 . 1 1 58 58 GLY N N 15 0.63 0.03 . . . . . 15930 1 55 . 1 1 59 59 ILE N N 15 0.58 0.02 . . . . . 15930 1 56 . 1 1 60 60 ASP N N 15 0.56 0.01 . . . . . 15930 1 57 . 1 1 61 61 MET N N 15 0.55 0.05 . . . . . 15930 1 58 . 1 1 62 62 ASN N N 15 0.56 0.02 . . . . . 15930 1 59 . 1 1 63 63 THR N N 15 0.62 0.02 . . . . . 15930 1 60 . 1 1 64 64 ASP N N 15 0.48 0.03 . . . . . 15930 1 61 . 1 1 65 65 TYR N N 15 0.53 0.02 . . . . . 15930 1 62 . 1 1 66 66 THR N N 15 0.54 0.01 . . . . . 15930 1 63 . 1 1 67 67 LEU N N 15 0.59 0.01 . . . . . 15930 1 64 . 1 1 68 68 GLU N N 15 0.56 0.01 . . . . . 15930 1 65 . 1 1 69 69 GLU N N 15 0.56 0.02 . . . . . 15930 1 66 . 1 1 70 70 VAL N N 15 0.56 0.01 . . . . . 15930 1 67 . 1 1 71 71 GLY N N 15 0.59 0.04 . . . . . 15930 1 68 . 1 1 72 72 LYS N N 15 0.53 0.11 . . . . . 15930 1 69 . 1 1 73 73 GLN N N 15 0.64 0.01 . . . . . 15930 1 70 . 1 1 75 75 ASP N N 15 0.63 0.04 . . . . . 15930 1 71 . 1 1 76 76 VAL N N 15 0.61 0.08 . . . . . 15930 1 72 . 1 1 77 77 THR N N 15 0.69 0.04 . . . . . 15930 1 73 . 1 1 78 78 ARG N N 15 0.53 0.01 . . . . . 15930 1 74 . 1 1 79 79 GLU N N 15 0.51 0.02 . . . . . 15930 1 75 . 1 1 80 80 ARG N N 15 0.65 0.01 . . . . . 15930 1 76 . 1 1 81 81 ILE N N 15 0.72 0.03 . . . . . 15930 1 77 . 1 1 82 82 ARG N N 15 0.42 0.04 . . . . . 15930 1 78 . 1 1 83 83 GLN N N 15 0.54 0.01 . . . . . 15930 1 79 . 1 1 84 84 ILE N N 15 0.60 0.06 . . . . . 15930 1 80 . 1 1 85 85 GLU N N 15 0.61 0.06 . . . . . 15930 1 81 . 1 1 86 86 ALA N N 15 0.57 0.03 . . . . . 15930 1 82 . 1 1 87 87 LYS N N 15 0.66 0.05 . . . . . 15930 1 83 . 1 1 88 88 ALA N N 15 0.61 0.03 . . . . . 15930 1 84 . 1 1 89 89 LEU N N 15 0.46 0.01 . . . . . 15930 1 85 . 1 1 90 90 ARG N N 15 0.53 0.01 . . . . . 15930 1 86 . 1 1 91 91 LYS N N 15 0.59 0.03 . . . . . 15930 1 87 . 1 1 92 92 LEU N N 15 0.49 0.03 . . . . . 15930 1 88 . 1 1 93 93 ARG N N 15 0.58 0.01 . . . . . 15930 1 89 . 1 1 94 94 HIS N N 15 0.56 0.05 . . . . . 15930 1 90 . 1 1 96 96 SER N N 15 0.56 0.01 . . . . . 15930 1 91 . 1 1 97 97 ARG N N 15 0.70 0.05 . . . . . 15930 1 92 . 1 1 98 98 SER N N 15 0.54 0.02 . . . . . 15930 1 93 . 1 1 99 99 GLU N N 15 0.65 0.10 . . . . . 15930 1 94 . 1 1 100 100 VAL N N 15 0.49 0.05 . . . . . 15930 1 95 . 1 1 101 101 LEU N N 15 0.64 0.01 . . . . . 15930 1 96 . 1 1 102 102 ARG N N 15 0.60 0.02 . . . . . 15930 1 97 . 1 1 103 103 SER N N 15 0.50 0.04 . . . . . 15930 1 98 . 1 1 104 104 PHE N N 15 0.50 0.02 . . . . . 15930 1 99 . 1 1 105 105 LEU N N 15 0.70 0.05 . . . . . 15930 1 100 . 1 1 106 106 ASP N N 15 0.65 0.01 . . . . . 15930 1 101 . 1 1 107 107 ASP N N 15 0.67 0.07 . . . . . 15930 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 15930 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 500 _Heteronucl_T2_list.T2_coherence_type Nz _Heteronucl_T2_list.T2_val_units ms _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details '0.01, 0.03, 0.05, 0.09, 0.13, 0.17, 0.21, 0.25' _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 13 '{1H-} -15N T2' . . . 15930 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 SER N N 15 3.11 3.34 . . . . . . . 15930 1 2 . 1 1 4 4 SER N N 15 0.55 0.07 . . . . . . . 15930 1 3 . 1 1 5 5 HIS N N 15 0.86 0.04 . . . . . . . 15930 1 4 . 1 1 6 6 HIS N N 15 0.60 0.02 . . . . . . . 15930 1 5 . 1 1 7 7 HIS N N 15 0.58 0.04 . . . . . . . 15930 1 6 . 1 1 8 8 HIS N N 15 0.40 0.04 . . . . . . . 15930 1 7 . 1 1 9 9 HIS N N 15 0.44 0.02 . . . . . . . 15930 1 8 . 1 1 10 10 HIS N N 15 0.40 0.13 . . . . . . . 15930 1 9 . 1 1 11 11 SER N N 15 0.42 0.03 . . . . . . . 15930 1 10 . 1 1 12 12 SER N N 15 0.56 0.04 . . . . . . . 15930 1 11 . 1 1 13 13 GLY N N 15 0.62 0.01 . . . . . . . 15930 1 12 . 1 1 14 14 LEU N N 15 1.04 0.24 . . . . . . . 15930 1 13 . 1 1 15 15 VAL N N 15 0.64 0.02 . . . . . . . 15930 1 14 . 1 1 17 17 ARG N N 15 0.38 0.05 . . . . . . . 15930 1 15 . 1 1 18 18 GLY N N 15 0.58 0.05 . . . . . . . 15930 1 16 . 1 1 19 19 SER N N 15 0.46 0.06 . . . . . . . 15930 1 17 . 1 1 20 20 HIS N N 15 0.60 0.20 . . . . . . . 15930 1 18 . 1 1 21 21 MET N N 15 0.46 0.06 . . . . . . . 15930 1 19 . 1 1 22 22 LEU N N 15 0.27 0.03 . . . . . . . 15930 1 20 . 1 1 23 23 GLU N N 15 0.32 0.02 . . . . . . . 15930 1 21 . 1 1 24 24 LEU N N 15 0.33 0.02 . . . . . . . 15930 1 22 . 1 1 26 26 LEU N N 15 0.25 0.00 . . . . . . . 15930 1 23 . 1 1 27 27 ASP N N 15 0.18 0.02 . . . . . . . 15930 1 24 . 1 1 28 28 SER N N 15 0.29 0.06 . . . . . . . 15930 1 25 . 1 1 29 29 ALA N N 15 0.16 0.02 . . . . . . . 15930 1 26 . 1 1 30 30 THR N N 15 0.14 0.00 . . . . . . . 15930 1 27 . 1 1 31 31 THR N N 15 0.12 0.01 . . . . . . . 15930 1 28 . 1 1 32 32 GLU N N 15 0.12 0.00 . . . . . . . 15930 1 29 . 1 1 33 33 SER N N 15 0.09 0.01 . . . . . . . 15930 1 30 . 1 1 34 34 LEU N N 15 0.11 0.01 . . . . . . . 15930 1 31 . 1 1 35 35 ARG N N 15 0.09 0.00 . . . . . . . 15930 1 32 . 1 1 36 36 ALA N N 15 0.11 0.00 . . . . . . . 15930 1 33 . 1 1 37 37 ALA N N 15 0.11 0.01 . . . . . . . 15930 1 34 . 1 1 38 38 THR N N 15 0.11 0.00 . . . . . . . 15930 1 35 . 1 1 39 39 HIS N N 15 0.11 0.00 . . . . . . . 15930 1 36 . 1 1 40 40 ASP N N 15 0.12 0.02 . . . . . . . 15930 1 37 . 1 1 41 41 VAL N N 15 0.46 0.08 . . . . . . . 15930 1 38 . 1 1 42 42 LEU N N 15 0.15 0.01 . . . . . . . 15930 1 39 . 1 1 43 43 ALA N N 15 0.09 0.00 . . . . . . . 15930 1 40 . 1 1 44 44 GLY N N 15 0.10 0.00 . . . . . . . 15930 1 41 . 1 1 45 45 LEU N N 15 0.09 0.01 . . . . . . . 15930 1 42 . 1 1 46 46 THR N N 15 0.10 0.00 . . . . . . . 15930 1 43 . 1 1 47 47 ALA N N 15 0.07 0.01 . . . . . . . 15930 1 44 . 1 1 48 48 ARG N N 15 0.08 0.01 . . . . . . . 15930 1 45 . 1 1 49 49 GLU N N 15 0.08 0.00 . . . . . . . 15930 1 46 . 1 1 50 50 ALA N N 15 0.08 0.00 . . . . . . . 15930 1 47 . 1 1 51 51 LYS N N 15 0.08 0.00 . . . . . . . 15930 1 48 . 1 1 52 52 VAL N N 15 0.08 0.00 . . . . . . . 15930 1 49 . 1 1 53 53 LEU N N 15 0.09 0.00 . . . . . . . 15930 1 50 . 1 1 54 54 ARG N N 15 0.08 0.00 . . . . . . . 15930 1 51 . 1 1 55 55 MET N N 15 0.14 0.00 . . . . . . . 15930 1 52 . 1 1 56 56 ARG N N 15 0.15 0.01 . . . . . . . 15930 1 53 . 1 1 57 57 PHE N N 15 0.10 0.00 . . . . . . . 15930 1 54 . 1 1 58 58 GLY N N 15 0.11 0.00 . . . . . . . 15930 1 55 . 1 1 59 59 ILE N N 15 0.11 0.00 . . . . . . . 15930 1 56 . 1 1 60 60 ASP N N 15 0.10 0.00 . . . . . . . 15930 1 57 . 1 1 61 61 MET N N 15 0.10 0.01 . . . . . . . 15930 1 58 . 1 1 62 62 ASN N N 15 0.10 0.00 . . . . . . . 15930 1 59 . 1 1 63 63 THR N N 15 0.11 0.00 . . . . . . . 15930 1 60 . 1 1 64 64 ASP N N 15 0.10 0.00 . . . . . . . 15930 1 61 . 1 1 65 65 TYR N N 15 0.09 0.00 . . . . . . . 15930 1 62 . 1 1 66 66 THR N N 15 0.08 0.01 . . . . . . . 15930 1 63 . 1 1 67 67 LEU N N 15 0.09 0.00 . . . . . . . 15930 1 64 . 1 1 68 68 GLU N N 15 0.15 0.00 . . . . . . . 15930 1 65 . 1 1 69 69 GLU N N 15 0.16 0.00 . . . . . . . 15930 1 66 . 1 1 70 70 VAL N N 15 0.08 0.00 . . . . . . . 15930 1 67 . 1 1 71 71 GLY N N 15 0.08 0.00 . . . . . . . 15930 1 68 . 1 1 72 72 LYS N N 15 0.08 0.01 . . . . . . . 15930 1 69 . 1 1 73 73 GLN N N 15 0.07 0.00 . . . . . . . 15930 1 70 . 1 1 75 75 ASP N N 15 0.07 0.00 . . . . . . . 15930 1 71 . 1 1 76 76 VAL N N 15 0.07 0.00 . . . . . . . 15930 1 72 . 1 1 77 77 THR N N 15 0.06 0.00 . . . . . . . 15930 1 73 . 1 1 78 78 ARG N N 15 0.08 0.00 . . . . . . . 15930 1 74 . 1 1 79 79 GLU N N 15 0.08 0.00 . . . . . . . 15930 1 75 . 1 1 80 80 ARG N N 15 0.09 0.00 . . . . . . . 15930 1 76 . 1 1 81 81 ILE N N 15 0.07 0.00 . . . . . . . 15930 1 77 . 1 1 82 82 ARG N N 15 0.08 0.00 . . . . . . . 15930 1 78 . 1 1 83 83 GLN N N 15 0.14 0.02 . . . . . . . 15930 1 79 . 1 1 84 84 ILE N N 15 0.08 0.00 . . . . . . . 15930 1 80 . 1 1 85 85 GLU N N 15 0.13 0.07 . . . . . . . 15930 1 81 . 1 1 86 86 ALA N N 15 0.08 0.00 . . . . . . . 15930 1 82 . 1 1 87 87 LYS N N 15 0.08 0.00 . . . . . . . 15930 1 83 . 1 1 88 88 ALA N N 15 0.07 0.00 . . . . . . . 15930 1 84 . 1 1 89 89 LEU N N 15 0.10 0.01 . . . . . . . 15930 1 85 . 1 1 90 90 ARG N N 15 0.21 0.01 . . . . . . . 15930 1 86 . 1 1 91 91 LYS N N 15 0.11 0.01 . . . . . . . 15930 1 87 . 1 1 92 92 LEU N N 15 0.12 0.00 . . . . . . . 15930 1 88 . 1 1 93 93 ARG N N 15 0.04 0.00 . . . . . . . 15930 1 89 . 1 1 94 94 HIS N N 15 0.19 0.00 . . . . . . . 15930 1 90 . 1 1 96 96 SER N N 15 0.24 0.02 . . . . . . . 15930 1 91 . 1 1 97 97 ARG N N 15 0.19 0.03 . . . . . . . 15930 1 92 . 1 1 98 98 SER N N 15 0.16 0.01 . . . . . . . 15930 1 93 . 1 1 99 99 GLU N N 15 0.20 0.02 . . . . . . . 15930 1 94 . 1 1 100 100 VAL N N 15 0.21 0.01 . . . . . . . 15930 1 95 . 1 1 101 101 LEU N N 15 0.19 0.03 . . . . . . . 15930 1 96 . 1 1 102 102 ARG N N 15 0.08 0.00 . . . . . . . 15930 1 97 . 1 1 103 103 SER N N 15 0.20 0.00 . . . . . . . 15930 1 98 . 1 1 104 104 PHE N N 15 0.21 0.00 . . . . . . . 15930 1 99 . 1 1 105 105 LEU N N 15 0.18 0.02 . . . . . . . 15930 1 100 . 1 1 106 106 ASP N N 15 0.16 0.01 . . . . . . . 15930 1 101 . 1 1 107 107 ASP N N 15 0.42 0.02 . . . . . . . 15930 1 stop_ save_