data_4870 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4870 _Entry.Title ; Sequence-specific 1H, 15N, and 13C resonance assignments for the whole region 4 of Escherichia coli RNA polymerase sigma70 subunit ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2000-10-20 _Entry.Accession_date 2000-10-20 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jaroslaw Poznanski . . . 4870 2 Igor Zhukow . . . 4870 3 Krystyna Bolewska . . . 4870 4 Kazimierz Wierzchowski . L . 4870 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 4870 coupling_constants 1 4870 heteronucl_T1_relaxation 1 4870 heteronucl_T2_relaxation 1 4870 heteronucl_NOEs 1 4870 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 681 4870 '13C chemical shifts' 435 4870 '15N chemical shifts' 108 4870 'coupling constants' 66 4870 'T1 relaxation values' 94 4870 'T2 relaxation values' 94 4870 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 . . 2011-08-10 . update BMRB 'T1 and T2 units changed from ms to s' 4870 2 . . 2008-08-28 . update author 'update of the relationship loop' 4870 3 . . 2003-05-23 . update author 'addition of coupling constants and relaxation data' 4870 4 . . 2001-06-29 . original author 'original release' 4870 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15930 '4 sigma70' 4870 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4870 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Sequence-specific 1H, 15N, and 13C resonance assignments for the whole region 4 of Escherichia coli RNA polymerase sigma70 subunit ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 20 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 181 _Citation.Page_last 182 _Citation.Year 2001 _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 Jaroslaw Poznanski . . . 4870 1 2 Igor Zhukov . . . 4870 1 3 Krystyna Bolewska . . . 4870 1 4 Kazimierz Wierzchowski . L. . 4870 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'E. coli RNA polymerase' 4870 1 sigma70 4870 1 'NMR assignment' 4870 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 4870 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 82014879 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Burton Z, Burgess RR, Lin J, Moore D, Holder S, Gross CA. The nucleotide sequence of the cloned rpoD gene for the RNA polymerase sigma subunit from E coli K12. Nucleic Acids Res. 1981 Jun 25;9(12):2889-903. ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 4870 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 96088118 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Delaglio F, Grzesiek S, Vuister GW, Zhu G, Pfeifer J, Bax A. NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J Biomol NMR. 1995 Nov;6(3):277-93. ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ save_ref_3 _Citation.Sf_category citations _Citation.Sf_framecode ref_3 _Citation.Entry_ID 4870 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Bartels,CH; Xia,T-H; Billeter,M; Guntert,P; Wuthrich,K. (1995) The program XEASY for computer-supported NMR specreal analysis pf biological macromolecules. J. Biomol. NMR 5,1-10 ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ save_ref_4 _Citation.Sf_category citations _Citation.Sf_framecode ref_4 _Citation.Entry_ID 4870 _Citation.ID 5 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 96173087 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Wishart DS, Bigam CG, Yao J, Abildgaard F, Dyson HJ, Oldfield E, Markley JL, Sykes BD. 1H, 13C and 15N chemical shift referencing in biomolecular NMR. J Biomol NMR. 1995 Sep;6(2):135-40. ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_4_sigma70_system _Assembly.Sf_category assembly _Assembly.Sf_framecode 4_sigma70_system _Assembly.Entry_ID 4870 _Assembly.ID 1 _Assembly.Name 'region 4 of sigma70 of E. coli RNA polymerase holoenzyme' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 2.7.7.6 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4870 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 '4 sigma70' 1 $4_sigma70 . . . 'molten globule' . . . . . 4870 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'region 4 of sigma70 of E. coli RNA polymerase holoenzyme' system 4870 1 '4 sigma70' abbreviation 4870 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'promoter DNA recognition factor' 4870 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_4_sigma70 _Entity.Sf_category entity _Entity.Sf_framecode 4_sigma70 _Entity.Entry_ID 4870 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'region 4 of sigma70 of E. coli RNA polymerase' _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 ; GSSHHHHHHSSGLVPRGSHM LELPLDSATTESLRAATHDV LAGLTAREAKVLRMRFGIDM NTDYTLEEVGKQFDVTRERI RQIEAKALRKLRHPSRSEVL RSFLDD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12164 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; aa 1 is removed by the expresion system used. aa 2-21 are histag and thrombin specific cleavage site. aa 22 corresponds to L528 of the molecule studied. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 15930 . 4_sigma70 . . . . . 100.00 107 100.00 100.00 1.57e-68 . . . . 4870 1 2 no BMRB 15936 . 4_sigma70 . . . . . 100.00 107 100.00 100.00 1.57e-68 . . . . 4870 1 3 no BMRB 15975 . 4_sigma70 . . . . . 100.00 107 100.00 100.00 1.57e-68 . . . . 4870 1 4 no PDB 1TLH . "T4 Asia Bound To Sigma70 Region 4" . . . . . 76.42 81 100.00 100.00 3.84e-49 . . . . 4870 1 5 no PDB 2P7V . "Crystal Structure Of The Escherichia Coli Regulator Of Sigma 70, Rsd, In Complex With Sigma 70 Domain 4" . . . . . 64.15 68 100.00 100.00 8.48e-40 . . . . 4870 1 6 no PDB 3IYD . "Three-Dimensional Em Structure Of An Intact Activator-Dependent Transcription Initiation Complex" . . . . . 81.13 613 98.84 100.00 1.08e-47 . . . . 4870 1 7 no PDB 3T72 . "Phob(E)-Sigma70(4)-(Rnap-Betha-Flap-Tip-Helix)-Dna Transcription Activation Sub-Complex" . . . . . 73.58 99 98.72 100.00 5.22e-46 . . . . 4870 1 8 no PDB 4IGC . "X-ray Crystal Structure Of Escherichia Coli Sigma70 Holoenzyme" . . . . . 81.13 613 100.00 100.00 7.14e-49 . . . . 4870 1 9 no PDB 4JK1 . "X-ray Crystal Structure Of Escherichia Coli Sigma70 Holoenzyme In Complex With Guanosine Tetraphosphate (ppgpp)" . . . . . 81.13 613 100.00 100.00 7.14e-49 . . . . 4870 1 10 no PDB 4JK2 . "X-ray Crystal Structure Of Escherichia Coli Sigma70 Holoenzyme In Complex With Guanosine Pentaphosphate (pppgpp)" . . . . . 81.13 613 100.00 100.00 7.14e-49 . . . . 4870 1 11 no PDB 4JKR . "Crystal Structure Of E. Coli Rna Polymerase In Complex With Ppgpp" . . . . . 81.13 628 100.00 100.00 1.53e-48 . . . . 4870 1 12 no PDB 4KMU . "X-ray Crystal Structure Of The Escherichia Coli Rna Polymerase In Complex With Rifampin" . . . . . 81.13 613 100.00 100.00 7.14e-49 . . . . 4870 1 13 no PDB 4KN4 . "X-ray Crystal Structure Of The Escherichia Coli Rna Polymerase In Complex With Benzoxazinorifamycin-2b" . . . . . 81.13 613 100.00 100.00 7.14e-49 . . . . 4870 1 14 no PDB 4KN7 . "X-ray Crystal Structure Of The Escherichia Coli Rna Polymerase In Complex With Benzoxazinorifamycin-2c" . . . . . 81.13 613 100.00 100.00 7.14e-49 . . . . 4870 1 15 no PDB 4LJZ . "Crystal Structure Analysis Of The E.coli Holoenzyme" . . . . . 81.13 522 100.00 100.00 4.70e-49 . . . . 4870 1 16 no PDB 4LK0 . "Crystal Structure Analysis Of The E.coli Holoenzyme/t7 Gp2 Complex" . . . . . 81.13 522 100.00 100.00 4.70e-49 . . . . 4870 1 17 no PDB 4LK1 . "Crystal Structure Analysis Of The E.coli Holoenzyme" . . . . . 81.13 613 100.00 100.00 7.14e-49 . . . . 4870 1 18 no PDB 4LLG . "Crystal Structure Analysis Of The E.coli Holoenzyme/gp2 Complex" . . . . . 81.13 613 100.00 100.00 7.14e-49 . . . . 4870 1 19 no PDB 4MEX . "Crystal Structure Of Escherichia Coli Rna Polymerase In Complex With Salinamide A" . . . . . 81.13 613 100.00 100.00 7.14e-49 . . . . 4870 1 20 no PDB 4MEY . "Crystal Structure Of Escherichia Coli Rna Polymerase Holoenzyme" . . . . . 81.13 613 100.00 100.00 7.14e-49 . . . . 4870 1 21 no DBJ BAB37373 . "RNA polymerase sigma 70 factor RpoD [Escherichia coli O157:H7 str. Sakai]" . . . . . 81.13 613 98.84 100.00 1.19e-47 . . . . 4870 1 22 no DBJ BAE77118 . "RNA polymerase, sigma 70 (sigma D) factor [Escherichia coli str. K-12 substr. W3110]" . . . . . 81.13 613 100.00 100.00 7.14e-49 . . . . 4870 1 23 no DBJ BAG66772 . "RNA polymerase, sigma(70) factor [Escherichia coli O111:H-]" . . . . . 81.13 613 98.84 100.00 1.19e-47 . . . . 4870 1 24 no DBJ BAG78873 . "RNA polymerase sigma factor RpoD [Escherichia coli SE11]" . . . . . 81.13 613 98.84 100.00 1.19e-47 . . . . 4870 1 25 no DBJ BAH65247 . "RNA polymerase sigma factor [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 81.13 632 98.84 100.00 9.20e-48 . . . . 4870 1 26 no EMBL CAD07736 . "RNA polymerase sigma-70 factor [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 81.13 660 98.84 100.00 1.22e-47 . . . . 4870 1 27 no EMBL CAL34114 . "RNA polymerase sigma factor rpoD [Cronobacter sakazakii]" . . . . . 81.13 359 98.84 100.00 2.31e-49 . . . . 4870 1 28 no EMBL CAP77541 . "RNA polymerase sigma factor rpoD [Escherichia coli LF82]" . . . . . 81.13 613 98.84 100.00 1.09e-47 . . . . 4870 1 29 no EMBL CAQ33404 . "RNA polymerase, sigma 70 (sigma D) factor, subunit of RNA polymerase sigma 70 [Escherichia coli BL21(DE3)]" . . . . . 81.13 613 98.84 100.00 1.14e-47 . . . . 4870 1 30 no EMBL CAQ90501 . "RNA polymerase, sigma 70 (sigma D) factor [Escherichia fergusonii ATCC 35469]" . . . . . 81.13 613 98.84 100.00 1.30e-47 . . . . 4870 1 31 no GB AAA24601 . "RNA polymerase sigma-subunit [Escherichia coli]" . . . . . 81.13 613 100.00 100.00 7.36e-49 . . . . 4870 1 32 no GB AAA27242 . "rpoD protein [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 81.13 615 98.84 100.00 1.02e-47 . . . . 4870 1 33 no GB AAA89147 . "CG Site No. 231; alternate gene name alt [Escherichia coli str. K-12 substr. MG1655]" . . . . . 81.13 613 100.00 100.00 7.14e-49 . . . . 4870 1 34 no GB AAB60181 . "RNA polymerase sigma-subunit [Escherichia coli]" . . . . . 81.13 603 98.84 100.00 1.03e-47 . . . . 4870 1 35 no GB AAC76103 . "RNA polymerase, sigma 70 (sigma D) factor [Escherichia coli str. K-12 substr. MG1655]" . . . . . 81.13 613 100.00 100.00 7.14e-49 . . . . 4870 1 36 no PIR AB0893 . "RNA polymerase sigma-70 factor [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 81.13 660 98.84 100.00 1.22e-47 . . . . 4870 1 37 no REF NP_289642 . "RNA polymerase sigma factor RpoD [Escherichia coli O157:H7 str. EDL933]" . . . . . 81.13 613 98.84 100.00 1.19e-47 . . . . 4870 1 38 no REF NP_311977 . "RNA polymerase sigma factor RpoD [Escherichia coli O157:H7 str. Sakai]" . . . . . 81.13 613 98.84 100.00 1.19e-47 . . . . 4870 1 39 no REF NP_417539 . "RNA polymerase, sigma 70 (sigma D) factor [Escherichia coli str. K-12 substr. MG1655]" . . . . . 81.13 613 100.00 100.00 7.14e-49 . . . . 4870 1 40 no REF NP_457602 . "RNA polymerase sigma-70 factor [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 81.13 660 98.84 100.00 1.22e-47 . . . . 4870 1 41 no REF NP_462126 . "RNA polymerase sigma factor RpoD [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 81.13 615 98.84 100.00 1.02e-47 . . . . 4870 1 42 no SP P00579 . "RecName: Full=RNA polymerase sigma factor RpoD; AltName: Full=Sigma-70 [Escherichia coli K-12]" . . . . . 81.13 613 100.00 100.00 7.14e-49 . . . . 4870 1 43 no SP P0A2E3 . "RecName: Full=RNA polymerase sigma factor RpoD; AltName: Full=Sigma-70 [Salmonella enterica subsp. enterica serovar Typhimurium" . . . . . 81.13 615 98.84 100.00 1.02e-47 . . . . 4870 1 44 no SP P0A2E4 . "RecName: Full=RNA polymerase sigma factor RpoD; AltName: Full=Sigma-70 [Salmonella enterica subsp. enterica serovar Typhi]" . . . . . 81.13 615 98.84 100.00 1.02e-47 . . . . 4870 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'region 4 of sigma70 of E. coli RNA polymerase' common 4870 1 '4 sigma70' abbreviation 4870 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 2 GLY . 4870 1 2 3 SER . 4870 1 3 4 SER . 4870 1 4 5 HIS . 4870 1 5 6 HIS . 4870 1 6 7 HIS . 4870 1 7 8 HIS . 4870 1 8 9 HIS . 4870 1 9 10 HIS . 4870 1 10 11 SER . 4870 1 11 12 SER . 4870 1 12 13 GLY . 4870 1 13 14 LEU . 4870 1 14 15 VAL . 4870 1 15 16 PRO . 4870 1 16 17 ARG . 4870 1 17 18 GLY . 4870 1 18 19 SER . 4870 1 19 20 HIS . 4870 1 20 21 MET . 4870 1 21 22 LEU . 4870 1 22 23 GLU . 4870 1 23 24 LEU . 4870 1 24 25 PRO . 4870 1 25 26 LEU . 4870 1 26 27 ASP . 4870 1 27 28 SER . 4870 1 28 29 ALA . 4870 1 29 30 THR . 4870 1 30 31 THR . 4870 1 31 32 GLU . 4870 1 32 33 SER . 4870 1 33 34 LEU . 4870 1 34 35 ARG . 4870 1 35 36 ALA . 4870 1 36 37 ALA . 4870 1 37 38 THR . 4870 1 38 39 HIS . 4870 1 39 40 ASP . 4870 1 40 41 VAL . 4870 1 41 42 LEU . 4870 1 42 43 ALA . 4870 1 43 44 GLY . 4870 1 44 45 LEU . 4870 1 45 46 THR . 4870 1 46 47 ALA . 4870 1 47 48 ARG . 4870 1 48 49 GLU . 4870 1 49 50 ALA . 4870 1 50 51 LYS . 4870 1 51 52 VAL . 4870 1 52 53 LEU . 4870 1 53 54 ARG . 4870 1 54 55 MET . 4870 1 55 56 ARG . 4870 1 56 57 PHE . 4870 1 57 58 GLY . 4870 1 58 59 ILE . 4870 1 59 60 ASP . 4870 1 60 61 MET . 4870 1 61 62 ASN . 4870 1 62 63 THR . 4870 1 63 64 ASP . 4870 1 64 65 TYR . 4870 1 65 66 THR . 4870 1 66 67 LEU . 4870 1 67 68 GLU . 4870 1 68 69 GLU . 4870 1 69 70 VAL . 4870 1 70 71 GLY . 4870 1 71 72 LYS . 4870 1 72 73 GLN . 4870 1 73 74 PHE . 4870 1 74 75 ASP . 4870 1 75 76 VAL . 4870 1 76 77 THR . 4870 1 77 78 ARG . 4870 1 78 79 GLU . 4870 1 79 80 ARG . 4870 1 80 81 ILE . 4870 1 81 82 ARG . 4870 1 82 83 GLN . 4870 1 83 84 ILE . 4870 1 84 85 GLU . 4870 1 85 86 ALA . 4870 1 86 87 LYS . 4870 1 87 88 ALA . 4870 1 88 89 LEU . 4870 1 89 90 ARG . 4870 1 90 91 LYS . 4870 1 91 92 LEU . 4870 1 92 93 ARG . 4870 1 93 94 HIS . 4870 1 94 95 PRO . 4870 1 95 96 SER . 4870 1 96 97 ARG . 4870 1 97 98 SER . 4870 1 98 99 GLU . 4870 1 99 100 VAL . 4870 1 100 101 LEU . 4870 1 101 102 ARG . 4870 1 102 103 SER . 4870 1 103 104 PHE . 4870 1 104 105 LEU . 4870 1 105 106 ASP . 4870 1 106 107 ASP . 4870 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 . GLY 1 1 4870 1 . SER 2 2 4870 1 . SER 3 3 4870 1 . HIS 4 4 4870 1 . HIS 5 5 4870 1 . HIS 6 6 4870 1 . HIS 7 7 4870 1 . HIS 8 8 4870 1 . HIS 9 9 4870 1 . SER 10 10 4870 1 . SER 11 11 4870 1 . GLY 12 12 4870 1 . LEU 13 13 4870 1 . VAL 14 14 4870 1 . PRO 15 15 4870 1 . ARG 16 16 4870 1 . GLY 17 17 4870 1 . SER 18 18 4870 1 . HIS 19 19 4870 1 . MET 20 20 4870 1 . LEU 21 21 4870 1 . GLU 22 22 4870 1 . LEU 23 23 4870 1 . PRO 24 24 4870 1 . LEU 25 25 4870 1 . ASP 26 26 4870 1 . SER 27 27 4870 1 . ALA 28 28 4870 1 . THR 29 29 4870 1 . THR 30 30 4870 1 . GLU 31 31 4870 1 . SER 32 32 4870 1 . LEU 33 33 4870 1 . ARG 34 34 4870 1 . ALA 35 35 4870 1 . ALA 36 36 4870 1 . THR 37 37 4870 1 . HIS 38 38 4870 1 . ASP 39 39 4870 1 . VAL 40 40 4870 1 . LEU 41 41 4870 1 . ALA 42 42 4870 1 . GLY 43 43 4870 1 . LEU 44 44 4870 1 . THR 45 45 4870 1 . ALA 46 46 4870 1 . ARG 47 47 4870 1 . GLU 48 48 4870 1 . ALA 49 49 4870 1 . LYS 50 50 4870 1 . VAL 51 51 4870 1 . LEU 52 52 4870 1 . ARG 53 53 4870 1 . MET 54 54 4870 1 . ARG 55 55 4870 1 . PHE 56 56 4870 1 . GLY 57 57 4870 1 . ILE 58 58 4870 1 . ASP 59 59 4870 1 . MET 60 60 4870 1 . ASN 61 61 4870 1 . THR 62 62 4870 1 . ASP 63 63 4870 1 . TYR 64 64 4870 1 . THR 65 65 4870 1 . LEU 66 66 4870 1 . GLU 67 67 4870 1 . GLU 68 68 4870 1 . VAL 69 69 4870 1 . GLY 70 70 4870 1 . LYS 71 71 4870 1 . GLN 72 72 4870 1 . PHE 73 73 4870 1 . ASP 74 74 4870 1 . VAL 75 75 4870 1 . THR 76 76 4870 1 . ARG 77 77 4870 1 . GLU 78 78 4870 1 . ARG 79 79 4870 1 . ILE 80 80 4870 1 . ARG 81 81 4870 1 . GLN 82 82 4870 1 . ILE 83 83 4870 1 . GLU 84 84 4870 1 . ALA 85 85 4870 1 . LYS 86 86 4870 1 . ALA 87 87 4870 1 . LEU 88 88 4870 1 . ARG 89 89 4870 1 . LYS 90 90 4870 1 . LEU 91 91 4870 1 . ARG 92 92 4870 1 . HIS 93 93 4870 1 . PRO 94 94 4870 1 . SER 95 95 4870 1 . ARG 96 96 4870 1 . SER 97 97 4870 1 . GLU 98 98 4870 1 . VAL 99 99 4870 1 . LEU 100 100 4870 1 . ARG 101 101 4870 1 . SER 102 102 4870 1 . PHE 103 103 4870 1 . LEU 104 104 4870 1 . ASP 105 105 4870 1 . ASP 106 106 4870 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 4870 _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 . . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . rpoD . . . . 4870 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 4870 _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' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET15b . . . . . . 4870 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4870 _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 'region 4 of sigma70 of E. coli RNA polymerase' '[U-13C; U-15N]' . . 1 $4_sigma70 . . 3 . . mM . . . . 4870 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 4870 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'probe degassed by argon saturation' 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 pH 2.8 0.2 n/a 4870 1 temperature 298 1 K 4870 1 stop_ save_ ############################ # Computer software used # ############################ save_nmrpipe _Software.Sf_category software _Software.Sf_framecode nmrpipe _Software.Entry_ID 4870 _Software.ID 1 _Software.Name nmrpipe _Software.Version 1.7 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 4870 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 3 $ref_2 4870 1 stop_ save_ save_XEasy _Software.Sf_category software _Software.Sf_framecode XEasy _Software.Entry_ID 4870 _Software.ID 2 _Software.Name XEasy _Software.Version 1.3.11 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignment' 4870 2 'sequential assignment' 4870 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 4 $ref_3 4870 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4870 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity Plus' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4870 _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 NMR_spectrometer Varian 'Unity Plus' . 500 . . . 4870 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 4870 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4870 1 2 '2D 1H-13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4870 1 3 '3D C(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4870 1 4 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4870 1 5 '3D CBCANH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4870 1 6 '3D HNCO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4870 1 7 '3D (HCA)CO(CA)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4870 1 8 '2D J-MODULATED 1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4870 1 9 '2D H(N)CO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4870 1 10 '3D HA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4870 1 11 '3D H(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4870 1 12 '3D 1H-1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4870 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4870 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4870 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4870 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D C(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4870 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4870 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D CBCANH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4870 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4870 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D (HCA)CO(CA)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4870 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '2D J-MODULATED 1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4870 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '2D H(N)CO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4870 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D HA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4870 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D H(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 4870 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D 1H-1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4870 _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 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0 external cylindrical parallel_to_Bo 5 $ref_4 . . . . 4870 1 C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 external . . 5 $ref_4 . . . . 4870 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 external . . 5 $ref_4 . . . . 4870 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_shift_set_25_major_isoform _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_25_major_isoform _Assigned_chem_shift_list.Entry_ID 4870 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; 23 ELPL fragment of minor conformational species exhibiting cis Leu-Pro peptide bond has been additionally assigned. M1 is deleted in the expression system and in consequence at low pH G2 is protonated and exhibits unusual chemical shifts of N. Arginine, Leucine and Glutamine in fragments 34LR, 54RMR, 67LEE, 78RER, 81RQ, 89LR, 92LR, 99EV, 101LR are ambiguously placed in the sequence. The most probable assignment is given, but in most cases L,R,E assignment could be flopped. ; _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' 1 $sample_1 . 4870 1 2 '2D 1H-13C HSQC' 1 $sample_1 . 4870 1 3 '3D C(CO)NH' 1 $sample_1 . 4870 1 4 '3D CBCA(CO)NH' 1 $sample_1 . 4870 1 5 '3D CBCANH' 1 $sample_1 . 4870 1 6 '3D HNCO' 1 $sample_1 . 4870 1 7 '3D (HCA)CO(CA)NH' 1 $sample_1 . 4870 1 8 '2D J-MODULATED 1H-15N HSQC' 1 $sample_1 . 4870 1 9 '2D H(N)CO' 1 $sample_1 . 4870 1 10 '3D HA(CO)NH' 1 $sample_1 . 4870 1 11 '3D H(CO)NH' 1 $sample_1 . 4870 1 12 '3D 1H-1H-15N NOESY' 1 $sample_1 . 4870 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 1 1 GLY N N 15 129.3 0.2 . 1 . . . . . . . . 4870 1 2 . 1 1 1 1 GLY H H 1 6.74 0.02 . 1 . . . . . . . . 4870 1 3 . 1 1 1 1 GLY CA C 13 45.7 0.2 . 1 . . . . . . . . 4870 1 4 . 1 1 1 1 GLY HA2 H 1 3.94 0.02 . 2 . . . . . . . . 4870 1 5 . 1 1 1 1 GLY HA3 H 1 3.89 0.02 . 2 . . . . . . . . 4870 1 6 . 1 1 1 1 GLY C C 13 176.7 0.2 . 1 . . . . . . . . 4870 1 7 . 1 1 2 2 SER N N 15 115.2 0.2 . 1 . . . . . . . . 4870 1 8 . 1 1 2 2 SER H H 1 8.35 0.02 . 1 . . . . . . . . 4870 1 9 . 1 1 2 2 SER CA C 13 58.4 0.2 . 1 . . . . . . . . 4870 1 10 . 1 1 2 2 SER HA H 1 4.42 0.02 . 1 . . . . . . . . 4870 1 11 . 1 1 2 2 SER CB C 13 63.3 0.2 . 1 . . . . . . . . 4870 1 12 . 1 1 2 2 SER HB2 H 1 3.89 0.02 . 1 . . . . . . . . 4870 1 13 . 1 1 2 2 SER HB3 H 1 3.89 0.02 . 1 . . . . . . . . 4870 1 14 . 1 1 2 2 SER C C 13 175.4 0.2 . 1 . . . . . . . . 4870 1 15 . 1 1 3 3 SER N N 15 117.0 0.2 . 1 . . . . . . . . 4870 1 16 . 1 1 3 3 SER H H 1 8.30 0.02 . 1 . . . . . . . . 4870 1 17 . 1 1 3 3 SER CA C 13 58.5 0.2 . 1 . . . . . . . . 4870 1 18 . 1 1 3 3 SER HA H 1 4.35 0.02 . 1 . . . . . . . . 4870 1 19 . 1 1 3 3 SER CB C 13 63.2 0.2 . 1 . . . . . . . . 4870 1 20 . 1 1 3 3 SER HB2 H 1 3.82 0.02 . 1 . . . . . . . . 4870 1 21 . 1 1 3 3 SER HB3 H 1 3.82 0.02 . 1 . . . . . . . . 4870 1 22 . 1 1 3 3 SER C C 13 174.8 0.2 . 1 . . . . . . . . 4870 1 23 . 1 1 4 4 HIS N N 15 119.2 0.2 . 1 . . . . . . . . 4870 1 24 . 1 1 4 4 HIS H H 1 8.28 0.02 . 1 . . . . . . . . 4870 1 25 . 1 1 4 4 HIS CA C 13 54.7 0.2 . 1 . . . . . . . . 4870 1 26 . 1 1 4 4 HIS HA H 1 4.67 0.02 . 1 . . . . . . . . 4870 1 27 . 1 1 4 4 HIS CB C 13 28.7 0.2 . 1 . . . . . . . . 4870 1 28 . 1 1 4 4 HIS HB2 H 1 3.28 0.02 . 2 . . . . . . . . 4870 1 29 . 1 1 4 4 HIS HB3 H 1 3.15 0.02 . 2 . . . . . . . . 4870 1 30 . 1 1 4 4 HIS C C 13 174.4 0.2 . 1 . . . . . . . . 4870 1 31 . 1 1 5 5 HIS N N 15 119.6 0.2 . 1 . . . . . . . . 4870 1 32 . 1 1 5 5 HIS H H 1 8.59 0.02 . 1 . . . . . . . . 4870 1 33 . 1 1 5 5 HIS CA C 13 54.8 0.2 . 1 . . . . . . . . 4870 1 34 . 1 1 5 5 HIS HA H 1 4.64 0.02 . 1 . . . . . . . . 4870 1 35 . 1 1 5 5 HIS CB C 13 28.2 0.2 . 1 . . . . . . . . 4870 1 36 . 1 1 5 5 HIS HB2 H 1 3.28 0.02 . 2 . . . . . . . . 4870 1 37 . 1 1 5 5 HIS HB3 H 1 3.08 0.02 . 2 . . . . . . . . 4870 1 38 . 1 1 5 5 HIS C C 13 174.3 0.2 . 1 . . . . . . . . 4870 1 39 . 1 1 6 6 HIS N N 15 118.4 0.2 . 1 . . . . . . . . 4870 1 40 . 1 1 6 6 HIS H H 1 8.34 0.02 . 1 . . . . . . . . 4870 1 41 . 1 1 6 6 HIS CA C 13 54.7 0.2 . 1 . . . . . . . . 4870 1 42 . 1 1 6 6 HIS HA H 1 4.70 0.02 . 1 . . . . . . . . 4870 1 43 . 1 1 6 6 HIS CB C 13 28.9 0.2 . 1 . . . . . . . . 4870 1 44 . 1 1 6 6 HIS HB2 H 1 3.19 0.02 . 1 . . . . . . . . 4870 1 45 . 1 1 6 6 HIS HB3 H 1 3.19 0.02 . 1 . . . . . . . . 4870 1 46 . 1 1 6 6 HIS C C 13 174.3 0.2 . 1 . . . . . . . . 4870 1 47 . 1 1 7 7 HIS N N 15 120.3 0.2 . 1 . . . . . . . . 4870 1 48 . 1 1 7 7 HIS H H 1 8.71 0.02 . 1 . . . . . . . . 4870 1 49 . 1 1 7 7 HIS CA C 13 54.8 0.2 . 1 . . . . . . . . 4870 1 50 . 1 1 7 7 HIS HA H 1 4.70 0.02 . 1 . . . . . . . . 4870 1 51 . 1 1 7 7 HIS CB C 13 29.0 0.2 . 1 . . . . . . . . 4870 1 52 . 1 1 7 7 HIS HB2 H 1 3.25 0.02 . 1 . . . . . . . . 4870 1 53 . 1 1 7 7 HIS HB3 H 1 3.25 0.02 . 1 . . . . . . . . 4870 1 54 . 1 1 7 7 HIS C C 13 174.3 0.2 . 1 . . . . . . . . 4870 1 55 . 1 1 8 8 HIS N N 15 121.0 0.2 . 1 . . . . . . . . 4870 1 56 . 1 1 8 8 HIS H H 1 8.73 0.02 . 1 . . . . . . . . 4870 1 57 . 1 1 8 8 HIS CA C 13 55.2 0.2 . 1 . . . . . . . . 4870 1 58 . 1 1 8 8 HIS HA H 1 4.69 0.02 . 1 . . . . . . . . 4870 1 59 . 1 1 8 8 HIS CB C 13 29.1 0.2 . 1 . . . . . . . . 4870 1 60 . 1 1 8 8 HIS HB2 H 1 3.25 0.02 . 1 . . . . . . . . 4870 1 61 . 1 1 8 8 HIS HB3 H 1 3.25 0.02 . 1 . . . . . . . . 4870 1 62 . 1 1 8 8 HIS C C 13 174.1 0.2 . 1 . . . . . . . . 4870 1 63 . 1 1 9 9 HIS N N 15 121.8 0.2 . 1 . . . . . . . . 4870 1 64 . 1 1 9 9 HIS H H 1 8.71 0.02 . 1 . . . . . . . . 4870 1 65 . 1 1 9 9 HIS CA C 13 54.9 0.2 . 1 . . . . . . . . 4870 1 66 . 1 1 9 9 HIS HA H 1 4.72 0.02 . 1 . . . . . . . . 4870 1 67 . 1 1 9 9 HIS CB C 13 29.0 0.2 . 1 . . . . . . . . 4870 1 68 . 1 1 9 9 HIS HB2 H 1 3.25 0.02 . 1 . . . . . . . . 4870 1 69 . 1 1 9 9 HIS HB3 H 1 3.25 0.02 . 1 . . . . . . . . 4870 1 70 . 1 1 9 9 HIS C C 13 174.2 0.2 . 1 . . . . . . . . 4870 1 71 . 1 1 10 10 SER N N 15 119.0 0.2 . 1 . . . . . . . . 4870 1 72 . 1 1 10 10 SER H H 1 8.52 0.02 . 1 . . . . . . . . 4870 1 73 . 1 1 10 10 SER CA C 13 57.6 0.2 . 1 . . . . . . . . 4870 1 74 . 1 1 10 10 SER HA H 1 4.52 0.02 . 1 . . . . . . . . 4870 1 75 . 1 1 10 10 SER CB C 13 63.6 0.2 . 1 . . . . . . . . 4870 1 76 . 1 1 10 10 SER HB2 H 1 3.88 0.02 . 1 . . . . . . . . 4870 1 77 . 1 1 10 10 SER HB3 H 1 3.88 0.02 . 1 . . . . . . . . 4870 1 78 . 1 1 10 10 SER C C 13 174.5 0.2 . 1 . . . . . . . . 4870 1 79 . 1 1 11 11 SER N N 15 118.5 0.2 . 1 . . . . . . . . 4870 1 80 . 1 1 11 11 SER H H 1 8.54 0.02 . 1 . . . . . . . . 4870 1 81 . 1 1 11 11 SER CA C 13 58.2 0.2 . 1 . . . . . . . . 4870 1 82 . 1 1 11 11 SER HA H 1 4.51 0.02 . 1 . . . . . . . . 4870 1 83 . 1 1 11 11 SER CB C 13 63.6 0.2 . 1 . . . . . . . . 4870 1 84 . 1 1 11 11 SER HB2 H 1 3.93 0.02 . 1 . . . . . . . . 4870 1 85 . 1 1 11 11 SER HB3 H 1 3.93 0.02 . 1 . . . . . . . . 4870 1 86 . 1 1 11 11 SER C C 13 175.0 0.2 . 1 . . . . . . . . 4870 1 87 . 1 1 12 12 GLY N N 15 110.7 0.2 . 1 . . . . . . . . 4870 1 88 . 1 1 12 12 GLY H H 1 8.39 0.02 . 1 . . . . . . . . 4870 1 89 . 1 1 12 12 GLY CA C 13 44.7 0.2 . 1 . . . . . . . . 4870 1 90 . 1 1 12 12 GLY HA2 H 1 3.99 0.02 . 1 . . . . . . . . 4870 1 91 . 1 1 12 12 GLY HA3 H 1 3.99 0.02 . 1 . . . . . . . . 4870 1 92 . 1 1 12 12 GLY C C 13 173.9 0.2 . 1 . . . . . . . . 4870 1 93 . 1 1 13 13 LEU N N 15 122.0 0.2 . 1 . . . . . . . . 4870 1 94 . 1 1 13 13 LEU H H 1 8.11 0.02 . 1 . . . . . . . . 4870 1 95 . 1 1 13 13 LEU CA C 13 54.7 0.2 . 1 . . . . . . . . 4870 1 96 . 1 1 13 13 LEU HA H 1 4.39 0.02 . 1 . . . . . . . . 4870 1 97 . 1 1 13 13 LEU CB C 13 42.1 0.2 . 1 . . . . . . . . 4870 1 98 . 1 1 13 13 LEU HB2 H 1 1.64 0.02 . 1 . . . . . . . . 4870 1 99 . 1 1 13 13 LEU HB3 H 1 1.64 0.02 . 1 . . . . . . . . 4870 1 100 . 1 1 13 13 LEU CG C 13 26.9 0.2 . 1 . . . . . . . . 4870 1 101 . 1 1 13 13 LEU HG H 1 1.59 0.02 . 1 . . . . . . . . 4870 1 102 . 1 1 13 13 LEU CD1 C 13 23.9 0.2 . 1 . . . . . . . . 4870 1 103 . 1 1 13 13 LEU HD11 H 1 1.00 0.02 . 1 . . . . . . . . 4870 1 104 . 1 1 13 13 LEU HD12 H 1 1.00 0.02 . 1 . . . . . . . . 4870 1 105 . 1 1 13 13 LEU HD13 H 1 1.00 0.02 . 1 . . . . . . . . 4870 1 106 . 1 1 13 13 LEU HD21 H 1 1.00 0.02 . 1 . . . . . . . . 4870 1 107 . 1 1 13 13 LEU HD22 H 1 1.00 0.02 . 1 . . . . . . . . 4870 1 108 . 1 1 13 13 LEU HD23 H 1 1.00 0.02 . 1 . . . . . . . . 4870 1 109 . 1 1 13 13 LEU C C 13 177.4 0.2 . 1 . . . . . . . . 4870 1 110 . 1 1 14 14 VAL N N 15 123.7 0.2 . 1 . . . . . . . . 4870 1 111 . 1 1 14 14 VAL H H 1 8.20 0.02 . 1 . . . . . . . . 4870 1 112 . 1 1 14 14 VAL CA C 13 59.7 0.2 . 1 . . . . . . . . 4870 1 113 . 1 1 14 14 VAL CB C 13 32.6 0.2 . 1 . . . . . . . . 4870 1 114 . 1 1 14 14 VAL HB H 1 2.12 0.02 . 1 . . . . . . . . 4870 1 115 . 1 1 14 14 VAL C C 13 174.6 0.2 . 1 . . . . . . . . 4870 1 116 . 1 1 15 15 PRO CD C 13 50.8 0.2 . 1 . . . . . . . . 4870 1 117 . 1 1 15 15 PRO CA C 13 62.7 0.2 . 1 . . . . . . . . 4870 1 118 . 1 1 15 15 PRO HA H 1 4.42 0.02 . 1 . . . . . . . . 4870 1 119 . 1 1 15 15 PRO CB C 13 31.7 0.2 . 1 . . . . . . . . 4870 1 120 . 1 1 15 15 PRO HB2 H 1 2.34 0.02 . 1 . . . . . . . . 4870 1 121 . 1 1 15 15 PRO HB3 H 1 2.34 0.02 . 1 . . . . . . . . 4870 1 122 . 1 1 15 15 PRO CG C 13 27.2 0.2 . 1 . . . . . . . . 4870 1 123 . 1 1 15 15 PRO HG2 H 1 2.01 0.02 . 1 . . . . . . . . 4870 1 124 . 1 1 15 15 PRO HG3 H 1 2.01 0.02 . 1 . . . . . . . . 4870 1 125 . 1 1 15 15 PRO HD2 H 1 3.92 0.02 . 2 . . . . . . . . 4870 1 126 . 1 1 15 15 PRO HD3 H 1 3.67 0.02 . 2 . . . . . . . . 4870 1 127 . 1 1 15 15 PRO C C 13 177.0 0.2 . 1 . . . . . . . . 4870 1 128 . 1 1 16 16 ARG N N 15 122.1 0.2 . 1 . . . . . . . . 4870 1 129 . 1 1 16 16 ARG H H 1 8.46 0.02 . 1 . . . . . . . . 4870 1 130 . 1 1 16 16 ARG CA C 13 55.9 0.2 . 1 . . . . . . . . 4870 1 131 . 1 1 16 16 ARG HA H 1 4.33 0.02 . 1 . . . . . . . . 4870 1 132 . 1 1 16 16 ARG CB C 13 30.7 0.2 . 1 . . . . . . . . 4870 1 133 . 1 1 16 16 ARG HB2 H 1 1.93 0.02 . 1 . . . . . . . . 4870 1 134 . 1 1 16 16 ARG HB3 H 1 1.93 0.02 . 1 . . . . . . . . 4870 1 135 . 1 1 16 16 ARG CG C 13 26.8 0.2 . 1 . . . . . . . . 4870 1 136 . 1 1 16 16 ARG HG2 H 1 1.76 0.02 . 1 . . . . . . . . 4870 1 137 . 1 1 16 16 ARG HG3 H 1 1.76 0.02 . 1 . . . . . . . . 4870 1 138 . 1 1 16 16 ARG CD C 13 43.0 0.2 . 1 . . . . . . . . 4870 1 139 . 1 1 16 16 ARG HD2 H 1 3.25 0.02 . 1 . . . . . . . . 4870 1 140 . 1 1 16 16 ARG HD3 H 1 3.25 0.02 . 1 . . . . . . . . 4870 1 141 . 1 1 16 16 ARG C C 13 177.2 0.2 . 1 . . . . . . . . 4870 1 142 . 1 1 17 17 GLY N N 15 110.4 0.2 . 1 . . . . . . . . 4870 1 143 . 1 1 17 17 GLY H H 1 8.44 0.02 . 1 . . . . . . . . 4870 1 144 . 1 1 17 17 GLY CA C 13 44.8 0.2 . 1 . . . . . . . . 4870 1 145 . 1 1 17 17 GLY HA2 H 1 4.00 0.02 . 1 . . . . . . . . 4870 1 146 . 1 1 17 17 GLY HA3 H 1 4.00 0.02 . 1 . . . . . . . . 4870 1 147 . 1 1 17 17 GLY C C 13 174.3 0.2 . 1 . . . . . . . . 4870 1 148 . 1 1 18 18 SER N N 15 115.4 0.2 . 1 . . . . . . . . 4870 1 149 . 1 1 18 18 SER H H 1 8.18 0.02 . 1 . . . . . . . . 4870 1 150 . 1 1 18 18 SER CA C 13 57.9 0.2 . 1 . . . . . . . . 4870 1 151 . 1 1 18 18 SER HA H 1 4.41 0.02 . 1 . . . . . . . . 4870 1 152 . 1 1 18 18 SER CB C 13 63.5 0.2 . 1 . . . . . . . . 4870 1 153 . 1 1 18 18 SER HB2 H 1 3.84 0.02 . 1 . . . . . . . . 4870 1 154 . 1 1 18 18 SER HB3 H 1 3.84 0.02 . 1 . . . . . . . . 4870 1 155 . 1 1 18 18 SER C C 13 174.7 0.2 . 1 . . . . . . . . 4870 1 156 . 1 1 19 19 HIS N N 15 120.3 0.2 . 1 . . . . . . . . 4870 1 157 . 1 1 19 19 HIS H H 1 8.59 0.02 . 1 . . . . . . . . 4870 1 158 . 1 1 19 19 HIS CA C 13 54.8 0.2 . 1 . . . . . . . . 4870 1 159 . 1 1 19 19 HIS HA H 1 4.72 0.02 . 1 . . . . . . . . 4870 1 160 . 1 1 19 19 HIS CB C 13 28.5 0.2 . 1 . . . . . . . . 4870 1 161 . 1 1 19 19 HIS HB2 H 1 3.33 0.02 . 2 . . . . . . . . 4870 1 162 . 1 1 19 19 HIS HB3 H 1 3.21 0.02 . 2 . . . . . . . . 4870 1 163 . 1 1 19 19 HIS C C 13 174.4 0.2 . 1 . . . . . . . . 4870 1 164 . 1 1 20 20 MET N N 15 121.5 0.2 . 1 . . . . . . . . 4870 1 165 . 1 1 20 20 MET H H 1 8.34 0.02 . 1 . . . . . . . . 4870 1 166 . 1 1 20 20 MET CA C 13 55.4 0.2 . 1 . . . . . . . . 4870 1 167 . 1 1 20 20 MET HA H 1 4.44 0.02 . 1 . . . . . . . . 4870 1 168 . 1 1 20 20 MET CB C 13 32.6 0.2 . 1 . . . . . . . . 4870 1 169 . 1 1 20 20 MET CG C 13 31.7 0.2 . 1 . . . . . . . . 4870 1 170 . 1 1 20 20 MET HG2 H 1 2.57 0.02 . 1 . . . . . . . . 4870 1 171 . 1 1 20 20 MET HG3 H 1 2.57 0.02 . 1 . . . . . . . . 4870 1 172 . 1 1 20 20 MET C C 13 175.9 0.2 . 1 . . . . . . . . 4870 1 173 . 1 1 21 21 LEU N N 15 123.7 0.2 . 1 . . . . . . . . 4870 1 174 . 1 1 21 21 LEU H H 1 8.28 0.02 . 1 . . . . . . . . 4870 1 175 . 1 1 21 21 LEU CA C 13 55.0 0.2 . 1 . . . . . . . . 4870 1 176 . 1 1 21 21 LEU HA H 1 4.34 0.02 . 1 . . . . . . . . 4870 1 177 . 1 1 21 21 LEU CB C 13 42.1 0.2 . 1 . . . . . . . . 4870 1 178 . 1 1 21 21 LEU HB2 H 1 1.66 0.02 . 1 . . . . . . . . 4870 1 179 . 1 1 21 21 LEU HB3 H 1 1.66 0.02 . 1 . . . . . . . . 4870 1 180 . 1 1 21 21 LEU CG C 13 26.9 0.2 . 1 . . . . . . . . 4870 1 181 . 1 1 21 21 LEU HG H 1 1.62 0.02 . 1 . . . . . . . . 4870 1 182 . 1 1 21 21 LEU CD1 C 13 24.2 0.2 . 1 . . . . . . . . 4870 1 183 . 1 1 21 21 LEU HD11 H 1 0.97 0.02 . 1 . . . . . . . . 4870 1 184 . 1 1 21 21 LEU HD12 H 1 0.97 0.02 . 1 . . . . . . . . 4870 1 185 . 1 1 21 21 LEU HD13 H 1 0.97 0.02 . 1 . . . . . . . . 4870 1 186 . 1 1 21 21 LEU HD21 H 1 0.97 0.02 . 1 . . . . . . . . 4870 1 187 . 1 1 21 21 LEU HD22 H 1 0.97 0.02 . 1 . . . . . . . . 4870 1 188 . 1 1 21 21 LEU HD23 H 1 0.97 0.02 . 1 . . . . . . . . 4870 1 189 . 1 1 21 21 LEU C C 13 176.9 0.2 . 1 . . . . . . . . 4870 1 190 . 1 1 22 22 GLU N N 15 121.7 0.2 . 1 . . . . . . . . 4870 1 191 . 1 1 22 22 GLU H H 1 8.27 0.02 . 1 . . . . . . . . 4870 1 192 . 1 1 22 22 GLU CA C 13 54.9 0.2 . 1 . . . . . . . . 4870 1 193 . 1 1 22 22 GLU HA H 1 4.41 0.02 . 1 . . . . . . . . 4870 1 194 . 1 1 22 22 GLU CB C 13 28.6 0.2 . 1 . . . . . . . . 4870 1 195 . 1 1 22 22 GLU HB2 H 1 2.12 0.02 . 1 . . . . . . . . 4870 1 196 . 1 1 22 22 GLU HB3 H 1 2.12 0.02 . 1 . . . . . . . . 4870 1 197 . 1 1 22 22 GLU CG C 13 32.5 0.2 . 1 . . . . . . . . 4870 1 198 . 1 1 22 22 GLU HG2 H 1 2.46 0.02 . 1 . . . . . . . . 4870 1 199 . 1 1 22 22 GLU HG3 H 1 2.46 0.02 . 1 . . . . . . . . 4870 1 200 . 1 1 22 22 GLU C C 13 175.5 0.2 . 1 . . . . . . . . 4870 1 201 . 1 1 23 23 LEU N N 15 125.2 0.2 . 1 . . . . . . . . 4870 1 202 . 1 1 23 23 LEU H H 1 8.23 0.02 . 1 . . . . . . . . 4870 1 203 . 1 1 23 23 LEU CA C 13 52.4 0.2 . 1 . . . . . . . . 4870 1 204 . 1 1 23 23 LEU HA H 1 4.61 0.02 . 1 . . . . . . . . 4870 1 205 . 1 1 23 23 LEU CB C 13 41.6 0.2 . 1 . . . . . . . . 4870 1 206 . 1 1 23 23 LEU C C 13 175.3 0.2 . 1 . . . . . . . . 4870 1 207 . 1 1 24 24 PRO CD C 13 50.2 0.2 . 1 . . . . . . . . 4870 1 208 . 1 1 24 24 PRO CA C 13 62.6 0.2 . 1 . . . . . . . . 4870 1 209 . 1 1 24 24 PRO HA H 1 4.40 0.02 . 1 . . . . . . . . 4870 1 210 . 1 1 24 24 PRO CB C 13 31.7 0.2 . 1 . . . . . . . . 4870 1 211 . 1 1 24 24 PRO HB2 H 1 2.34 0.02 . 2 . . . . . . . . 4870 1 212 . 1 1 24 24 PRO HB3 H 1 1.97 0.02 . 2 . . . . . . . . 4870 1 213 . 1 1 24 24 PRO CG C 13 27.2 0.2 . 1 . . . . . . . . 4870 1 214 . 1 1 24 24 PRO HG2 H 1 2.08 0.02 . 1 . . . . . . . . 4870 1 215 . 1 1 24 24 PRO HG3 H 1 2.08 0.02 . 1 . . . . . . . . 4870 1 216 . 1 1 24 24 PRO HD2 H 1 3.86 0.02 . 1 . . . . . . . . 4870 1 217 . 1 1 24 24 PRO HD3 H 1 3.86 0.02 . 1 . . . . . . . . 4870 1 218 . 1 1 24 24 PRO C C 13 177.0 0.2 . 1 . . . . . . . . 4870 1 219 . 1 1 25 25 LEU N N 15 122.3 0.2 . 1 . . . . . . . . 4870 1 220 . 1 1 25 25 LEU H H 1 8.29 0.02 . 1 . . . . . . . . 4870 1 221 . 1 1 25 25 LEU CA C 13 55.1 0.2 . 1 . . . . . . . . 4870 1 222 . 1 1 25 25 LEU HA H 1 4.30 0.02 . 1 . . . . . . . . 4870 1 223 . 1 1 25 25 LEU CB C 13 42.0 0.2 . 1 . . . . . . . . 4870 1 224 . 1 1 25 25 LEU HB2 H 1 1.71 0.02 . 1 . . . . . . . . 4870 1 225 . 1 1 25 25 LEU HB3 H 1 1.71 0.02 . 1 . . . . . . . . 4870 1 226 . 1 1 25 25 LEU CG C 13 26.9 0.2 . 1 . . . . . . . . 4870 1 227 . 1 1 25 25 LEU HG H 1 1.64 0.02 . 1 . . . . . . . . 4870 1 228 . 1 1 25 25 LEU CD1 C 13 24.0 0.2 . 1 . . . . . . . . 4870 1 229 . 1 1 25 25 LEU HD11 H 1 1.00 0.02 . 1 . . . . . . . . 4870 1 230 . 1 1 25 25 LEU HD12 H 1 1.00 0.02 . 1 . . . . . . . . 4870 1 231 . 1 1 25 25 LEU HD13 H 1 1.00 0.02 . 1 . . . . . . . . 4870 1 232 . 1 1 25 25 LEU HD21 H 1 1.00 0.02 . 1 . . . . . . . . 4870 1 233 . 1 1 25 25 LEU HD22 H 1 1.00 0.02 . 1 . . . . . . . . 4870 1 234 . 1 1 25 25 LEU HD23 H 1 1.00 0.02 . 1 . . . . . . . . 4870 1 235 . 1 1 25 25 LEU C C 13 177.5 0.2 . 1 . . . . . . . . 4870 1 236 . 1 1 26 26 ASP N N 15 119.7 0.2 . 1 . . . . . . . . 4870 1 237 . 1 1 26 26 ASP H H 1 8.42 0.02 . 1 . . . . . . . . 4870 1 238 . 1 1 26 26 ASP CA C 13 52.7 0.2 . 1 . . . . . . . . 4870 1 239 . 1 1 26 26 ASP HA H 1 4.71 0.02 . 1 . . . . . . . . 4870 1 240 . 1 1 26 26 ASP CB C 13 38.3 0.2 . 1 . . . . . . . . 4870 1 241 . 1 1 26 26 ASP HB2 H 1 2.97 0.02 . 2 . . . . . . . . 4870 1 242 . 1 1 26 26 ASP HB3 H 1 2.90 0.02 . 2 . . . . . . . . 4870 1 243 . 1 1 26 26 ASP C C 13 175.6 0.2 . 1 . . . . . . . . 4870 1 244 . 1 1 27 27 SER N N 15 116.5 0.2 . 1 . . . . . . . . 4870 1 245 . 1 1 27 27 SER H H 1 8.23 0.02 . 1 . . . . . . . . 4870 1 246 . 1 1 27 27 SER CA C 13 58.5 0.2 . 1 . . . . . . . . 4870 1 247 . 1 1 27 27 SER HA H 1 4.41 0.02 . 1 . . . . . . . . 4870 1 248 . 1 1 27 27 SER CB C 13 63.4 0.2 . 1 . . . . . . . . 4870 1 249 . 1 1 27 27 SER HB2 H 1 3.93 0.02 . 1 . . . . . . . . 4870 1 250 . 1 1 27 27 SER HB3 H 1 3.93 0.02 . 1 . . . . . . . . 4870 1 251 . 1 1 27 27 SER C C 13 174.7 0.2 . 1 . . . . . . . . 4870 1 252 . 1 1 28 28 ALA N N 15 125.6 0.2 . 1 . . . . . . . . 4870 1 253 . 1 1 28 28 ALA H H 1 8.30 0.02 . 1 . . . . . . . . 4870 1 254 . 1 1 28 28 ALA CA C 13 52.6 0.2 . 1 . . . . . . . . 4870 1 255 . 1 1 28 28 ALA HA H 1 4.39 0.02 . 1 . . . . . . . . 4870 1 256 . 1 1 28 28 ALA HB1 H 1 1.51 0.02 . 1 . . . . . . . . 4870 1 257 . 1 1 28 28 ALA HB2 H 1 1.51 0.02 . 1 . . . . . . . . 4870 1 258 . 1 1 28 28 ALA HB3 H 1 1.51 0.02 . 1 . . . . . . . . 4870 1 259 . 1 1 28 28 ALA CB C 13 18.8 0.2 . 1 . . . . . . . . 4870 1 260 . 1 1 28 28 ALA C C 13 178.5 0.2 . 1 . . . . . . . . 4870 1 261 . 1 1 29 29 THR N N 15 112.7 0.2 . 1 . . . . . . . . 4870 1 262 . 1 1 29 29 THR H H 1 8.09 0.02 . 1 . . . . . . . . 4870 1 263 . 1 1 29 29 THR CA C 13 62.1 0.2 . 1 . . . . . . . . 4870 1 264 . 1 1 29 29 THR HA H 1 4.37 0.02 . 1 . . . . . . . . 4870 1 265 . 1 1 29 29 THR CB C 13 69.4 0.2 . 1 . . . . . . . . 4870 1 266 . 1 1 29 29 THR HB H 1 4.30 0.02 . 1 . . . . . . . . 4870 1 267 . 1 1 29 29 THR HG21 H 1 1.31 0.02 . 1 . . . . . . . . 4870 1 268 . 1 1 29 29 THR HG22 H 1 1.31 0.02 . 1 . . . . . . . . 4870 1 269 . 1 1 29 29 THR HG23 H 1 1.31 0.02 . 1 . . . . . . . . 4870 1 270 . 1 1 29 29 THR CG2 C 13 21.3 0.2 . 1 . . . . . . . . 4870 1 271 . 1 1 29 29 THR C C 13 175.4 0.2 . 1 . . . . . . . . 4870 1 272 . 1 1 30 30 THR N N 15 116.1 0.2 . 1 . . . . . . . . 4870 1 273 . 1 1 30 30 THR H H 1 8.06 0.02 . 1 . . . . . . . . 4870 1 274 . 1 1 30 30 THR CA C 13 62.5 0.2 . 1 . . . . . . . . 4870 1 275 . 1 1 30 30 THR HA H 1 4.29 0.02 . 1 . . . . . . . . 4870 1 276 . 1 1 30 30 THR CB C 13 69.2 0.2 . 1 . . . . . . . . 4870 1 277 . 1 1 30 30 THR HB H 1 4.35 0.02 . 1 . . . . . . . . 4870 1 278 . 1 1 30 30 THR HG21 H 1 1.30 0.02 . 1 . . . . . . . . 4870 1 279 . 1 1 30 30 THR HG22 H 1 1.30 0.02 . 1 . . . . . . . . 4870 1 280 . 1 1 30 30 THR HG23 H 1 1.30 0.02 . 1 . . . . . . . . 4870 1 281 . 1 1 30 30 THR CG2 C 13 21.4 0.2 . 1 . . . . . . . . 4870 1 282 . 1 1 30 30 THR C C 13 175.3 0.2 . 1 . . . . . . . . 4870 1 283 . 1 1 31 31 GLU N N 15 122.3 0.2 . 1 . . . . . . . . 4870 1 284 . 1 1 31 31 GLU H H 1 8.32 0.02 . 1 . . . . . . . . 4870 1 285 . 1 1 31 31 GLU CA C 13 56.4 0.2 . 1 . . . . . . . . 4870 1 286 . 1 1 31 31 GLU HA H 1 4.33 0.02 . 1 . . . . . . . . 4870 1 287 . 1 1 31 31 GLU CB C 13 28.2 0.2 . 1 . . . . . . . . 4870 1 288 . 1 1 31 31 GLU HB2 H 1 2.18 0.02 . 2 . . . . . . . . 4870 1 289 . 1 1 31 31 GLU HB3 H 1 2.10 0.02 . 2 . . . . . . . . 4870 1 290 . 1 1 31 31 GLU CG C 13 32.6 0.2 . 1 . . . . . . . . 4870 1 291 . 1 1 31 31 GLU HG2 H 1 2.54 0.02 . 1 . . . . . . . . 4870 1 292 . 1 1 31 31 GLU HG3 H 1 2.54 0.02 . 1 . . . . . . . . 4870 1 293 . 1 1 31 31 GLU C C 13 176.8 0.2 . 1 . . . . . . . . 4870 1 294 . 1 1 32 32 SER N N 15 116.7 0.2 . 1 . . . . . . . . 4870 1 295 . 1 1 32 32 SER H H 1 8.25 0.02 . 1 . . . . . . . . 4870 1 296 . 1 1 32 32 SER CA C 13 58.6 0.2 . 1 . . . . . . . . 4870 1 297 . 1 1 32 32 SER HA H 1 4.39 0.02 . 1 . . . . . . . . 4870 1 298 . 1 1 32 32 SER CB C 13 63.1 0.2 . 1 . . . . . . . . 4870 1 299 . 1 1 32 32 SER HB2 H 1 3.91 0.02 . 1 . . . . . . . . 4870 1 300 . 1 1 32 32 SER HB3 H 1 3.91 0.02 . 1 . . . . . . . . 4870 1 301 . 1 1 32 32 SER C C 13 175.2 0.2 . 1 . . . . . . . . 4870 1 302 . 1 1 33 33 LEU N N 15 123.9 0.2 . 1 . . . . . . . . 4870 1 303 . 1 1 33 33 LEU H H 1 8.12 0.02 . 1 . . . . . . . . 4870 1 304 . 1 1 33 33 LEU CA C 13 54.8 0.2 . 1 . . . . . . . . 4870 1 305 . 1 1 33 33 LEU HA H 1 4.29 0.02 . 1 . . . . . . . . 4870 1 306 . 1 1 33 33 LEU CB C 13 41.8 0.2 . 1 . . . . . . . . 4870 1 307 . 1 1 33 33 LEU HB2 H 1 1.73 0.02 . 1 . . . . . . . . 4870 1 308 . 1 1 33 33 LEU HB3 H 1 1.73 0.02 . 1 . . . . . . . . 4870 1 309 . 1 1 33 33 LEU CG C 13 27.0 0.2 . 1 . . . . . . . . 4870 1 310 . 1 1 33 33 LEU HG H 1 1.65 0.02 . 1 . . . . . . . . 4870 1 311 . 1 1 33 33 LEU CD1 C 13 24.0 0.2 . 1 . . . . . . . . 4870 1 312 . 1 1 33 33 LEU HD11 H 1 1.01 0.02 . 1 . . . . . . . . 4870 1 313 . 1 1 33 33 LEU HD12 H 1 1.01 0.02 . 1 . . . . . . . . 4870 1 314 . 1 1 33 33 LEU HD13 H 1 1.01 0.02 . 1 . . . . . . . . 4870 1 315 . 1 1 33 33 LEU HD21 H 1 1.01 0.02 . 1 . . . . . . . . 4870 1 316 . 1 1 33 33 LEU HD22 H 1 1.01 0.02 . 1 . . . . . . . . 4870 1 317 . 1 1 33 33 LEU HD23 H 1 1.01 0.02 . 1 . . . . . . . . 4870 1 318 . 1 1 33 33 LEU C C 13 177.9 0.2 . 1 . . . . . . . . 4870 1 319 . 1 1 34 34 ARG N N 15 121.1 0.2 . 1 . . . . . . . . 4870 1 320 . 1 1 34 34 ARG H H 1 8.07 0.02 . 1 . . . . . . . . 4870 1 321 . 1 1 34 34 ARG CA C 13 56.2 0.2 . 1 . . . . . . . . 4870 1 322 . 1 1 34 34 ARG HA H 1 4.27 0.02 . 1 . . . . . . . . 4870 1 323 . 1 1 34 34 ARG CB C 13 30.4 0.2 . 1 . . . . . . . . 4870 1 324 . 1 1 34 34 ARG HB2 H 1 1.88 0.02 . 1 . . . . . . . . 4870 1 325 . 1 1 34 34 ARG HB3 H 1 1.88 0.02 . 1 . . . . . . . . 4870 1 326 . 1 1 34 34 ARG CG C 13 26.8 0.2 . 1 . . . . . . . . 4870 1 327 . 1 1 34 34 ARG HG2 H 1 1.70 0.02 . 1 . . . . . . . . 4870 1 328 . 1 1 34 34 ARG HG3 H 1 1.70 0.02 . 1 . . . . . . . . 4870 1 329 . 1 1 34 34 ARG CD C 13 43.0 0.2 . 1 . . . . . . . . 4870 1 330 . 1 1 34 34 ARG HD2 H 1 3.21 0.02 . 1 . . . . . . . . 4870 1 331 . 1 1 34 34 ARG HD3 H 1 3.21 0.02 . 1 . . . . . . . . 4870 1 332 . 1 1 34 34 ARG C C 13 176.6 0.2 . 1 . . . . . . . . 4870 1 333 . 1 1 35 35 ALA N N 15 124.5 0.2 . 1 . . . . . . . . 4870 1 334 . 1 1 35 35 ALA H H 1 8.13 0.02 . 1 . . . . . . . . 4870 1 335 . 1 1 35 35 ALA CA C 13 52.4 0.2 . 1 . . . . . . . . 4870 1 336 . 1 1 35 35 ALA HA H 1 4.27 0.02 . 1 . . . . . . . . 4870 1 337 . 1 1 35 35 ALA HB1 H 1 1.48 0.02 . 1 . . . . . . . . 4870 1 338 . 1 1 35 35 ALA HB2 H 1 1.48 0.02 . 1 . . . . . . . . 4870 1 339 . 1 1 35 35 ALA HB3 H 1 1.48 0.02 . 1 . . . . . . . . 4870 1 340 . 1 1 35 35 ALA CB C 13 18.8 0.2 . 1 . . . . . . . . 4870 1 341 . 1 1 35 35 ALA C C 13 177.9 0.2 . 1 . . . . . . . . 4870 1 342 . 1 1 36 36 ALA N N 15 122.9 0.2 . 1 . . . . . . . . 4870 1 343 . 1 1 36 36 ALA H H 1 8.17 0.02 . 1 . . . . . . . . 4870 1 344 . 1 1 36 36 ALA CA C 13 52.3 0.2 . 1 . . . . . . . . 4870 1 345 . 1 1 36 36 ALA HA H 1 4.33 0.02 . 1 . . . . . . . . 4870 1 346 . 1 1 36 36 ALA HB1 H 1 1.47 0.02 . 1 . . . . . . . . 4870 1 347 . 1 1 36 36 ALA HB2 H 1 1.47 0.02 . 1 . . . . . . . . 4870 1 348 . 1 1 36 36 ALA HB3 H 1 1.47 0.02 . 1 . . . . . . . . 4870 1 349 . 1 1 36 36 ALA CB C 13 18.8 0.2 . 1 . . . . . . . . 4870 1 350 . 1 1 36 36 ALA C C 13 178.1 0.2 . 1 . . . . . . . . 4870 1 351 . 1 1 37 37 THR N N 15 112.4 0.2 . 1 . . . . . . . . 4870 1 352 . 1 1 37 37 THR H H 1 7.96 0.02 . 1 . . . . . . . . 4870 1 353 . 1 1 37 37 THR CA C 13 61.8 0.2 . 1 . . . . . . . . 4870 1 354 . 1 1 37 37 THR HA H 1 4.27 0.02 . 1 . . . . . . . . 4870 1 355 . 1 1 37 37 THR CB C 13 69.5 0.2 . 1 . . . . . . . . 4870 1 356 . 1 1 37 37 THR HB H 1 4.20 0.02 . 1 . . . . . . . . 4870 1 357 . 1 1 37 37 THR HG21 H 1 1.26 0.02 . 1 . . . . . . . . 4870 1 358 . 1 1 37 37 THR HG22 H 1 1.26 0.02 . 1 . . . . . . . . 4870 1 359 . 1 1 37 37 THR HG23 H 1 1.26 0.02 . 1 . . . . . . . . 4870 1 360 . 1 1 37 37 THR CG2 C 13 21.2 0.2 . 1 . . . . . . . . 4870 1 361 . 1 1 37 37 THR C C 13 174.7 0.2 . 1 . . . . . . . . 4870 1 362 . 1 1 38 38 HIS N N 15 120.0 0.2 . 1 . . . . . . . . 4870 1 363 . 1 1 38 38 HIS H H 1 8.42 0.02 . 1 . . . . . . . . 4870 1 364 . 1 1 38 38 HIS CA C 13 55.1 0.2 . 1 . . . . . . . . 4870 1 365 . 1 1 38 38 HIS HA H 1 4.69 0.02 . 1 . . . . . . . . 4870 1 366 . 1 1 38 38 HIS CB C 13 28.6 0.2 . 1 . . . . . . . . 4870 1 367 . 1 1 38 38 HIS HB2 H 1 3.33 0.02 . 2 . . . . . . . . 4870 1 368 . 1 1 38 38 HIS HB3 H 1 3.23 0.02 . 2 . . . . . . . . 4870 1 369 . 1 1 38 38 HIS C C 13 174.3 0.2 . 1 . . . . . . . . 4870 1 370 . 1 1 39 39 ASP N N 15 120.7 0.2 . 1 . . . . . . . . 4870 1 371 . 1 1 39 39 ASP H H 1 8.46 0.02 . 1 . . . . . . . . 4870 1 372 . 1 1 39 39 ASP CA C 13 53.1 0.2 . 1 . . . . . . . . 4870 1 373 . 1 1 39 39 ASP HA H 1 4.68 0.02 . 1 . . . . . . . . 4870 1 374 . 1 1 39 39 ASP CB C 13 38.5 0.2 . 1 . . . . . . . . 4870 1 375 . 1 1 39 39 ASP HB2 H 1 2.91 0.02 . 2 . . . . . . . . 4870 1 376 . 1 1 39 39 ASP HB3 H 1 2.81 0.02 . 2 . . . . . . . . 4870 1 377 . 1 1 39 39 ASP C C 13 175.7 0.2 . 1 . . . . . . . . 4870 1 378 . 1 1 40 40 VAL N N 15 121.2 0.2 . 1 . . . . . . . . 4870 1 379 . 1 1 40 40 VAL H H 1 8.15 0.02 . 1 . . . . . . . . 4870 1 380 . 1 1 40 40 VAL CA C 13 62.7 0.2 . 1 . . . . . . . . 4870 1 381 . 1 1 40 40 VAL HA H 1 4.07 0.02 . 1 . . . . . . . . 4870 1 382 . 1 1 40 40 VAL CB C 13 32.1 0.2 . 1 . . . . . . . . 4870 1 383 . 1 1 40 40 VAL HB H 1 2.17 0.02 . 1 . . . . . . . . 4870 1 384 . 1 1 40 40 VAL CG1 C 13 20.6 0.2 . 1 . . . . . . . . 4870 1 385 . 1 1 40 40 VAL HG11 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 386 . 1 1 40 40 VAL HG12 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 387 . 1 1 40 40 VAL HG13 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 388 . 1 1 40 40 VAL HG21 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 389 . 1 1 40 40 VAL HG22 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 390 . 1 1 40 40 VAL HG23 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 391 . 1 1 40 40 VAL C C 13 176.5 0.2 . 1 . . . . . . . . 4870 1 392 . 1 1 41 41 LEU N N 15 124.5 0.2 . 1 . . . . . . . . 4870 1 393 . 1 1 41 41 LEU H H 1 8.19 0.02 . 1 . . . . . . . . 4870 1 394 . 1 1 41 41 LEU CA C 13 55.0 0.2 . 1 . . . . . . . . 4870 1 395 . 1 1 41 41 LEU HA H 1 4.33 0.02 . 1 . . . . . . . . 4870 1 396 . 1 1 41 41 LEU CB C 13 41.7 0.2 . 1 . . . . . . . . 4870 1 397 . 1 1 41 41 LEU HB2 H 1 1.73 0.02 . 1 . . . . . . . . 4870 1 398 . 1 1 41 41 LEU HB3 H 1 1.73 0.02 . 1 . . . . . . . . 4870 1 399 . 1 1 41 41 LEU CG C 13 27.0 0.2 . 1 . . . . . . . . 4870 1 400 . 1 1 41 41 LEU HG H 1 1.65 0.02 . 1 . . . . . . . . 4870 1 401 . 1 1 41 41 LEU CD1 C 13 24.7 0.2 . 1 . . . . . . . . 4870 1 402 . 1 1 41 41 LEU CD2 C 13 23.2 0.2 . 1 . . . . . . . . 4870 1 403 . 1 1 41 41 LEU HD11 H 1 0.95 0.02 . 1 . . . . . . . . 4870 1 404 . 1 1 41 41 LEU HD12 H 1 0.95 0.02 . 1 . . . . . . . . 4870 1 405 . 1 1 41 41 LEU HD13 H 1 0.95 0.02 . 1 . . . . . . . . 4870 1 406 . 1 1 41 41 LEU HD21 H 1 0.95 0.02 . 1 . . . . . . . . 4870 1 407 . 1 1 41 41 LEU HD22 H 1 0.95 0.02 . 1 . . . . . . . . 4870 1 408 . 1 1 41 41 LEU HD23 H 1 0.95 0.02 . 1 . . . . . . . . 4870 1 409 . 1 1 41 41 LEU C C 13 177.4 0.2 . 1 . . . . . . . . 4870 1 410 . 1 1 42 42 ALA N N 15 124.2 0.2 . 1 . . . . . . . . 4870 1 411 . 1 1 42 42 ALA H H 1 8.07 0.02 . 1 . . . . . . . . 4870 1 412 . 1 1 42 42 ALA CA C 13 52.6 0.2 . 1 . . . . . . . . 4870 1 413 . 1 1 42 42 ALA HA H 1 4.27 0.02 . 1 . . . . . . . . 4870 1 414 . 1 1 42 42 ALA HB1 H 1 1.46 0.02 . 1 . . . . . . . . 4870 1 415 . 1 1 42 42 ALA HB2 H 1 1.46 0.02 . 1 . . . . . . . . 4870 1 416 . 1 1 42 42 ALA HB3 H 1 1.46 0.02 . 1 . . . . . . . . 4870 1 417 . 1 1 42 42 ALA CB C 13 18.8 0.2 . 1 . . . . . . . . 4870 1 418 . 1 1 42 42 ALA C C 13 178.5 0.2 . 1 . . . . . . . . 4870 1 419 . 1 1 43 43 GLY N N 15 107.6 0.2 . 1 . . . . . . . . 4870 1 420 . 1 1 43 43 GLY H H 1 8.26 0.02 . 1 . . . . . . . . 4870 1 421 . 1 1 43 43 GLY CA C 13 45.1 0.2 . 1 . . . . . . . . 4870 1 422 . 1 1 43 43 GLY HA2 H 1 3.97 0.02 . 1 . . . . . . . . 4870 1 423 . 1 1 43 43 GLY HA3 H 1 3.97 0.02 . 1 . . . . . . . . 4870 1 424 . 1 1 43 43 GLY C C 13 174.7 0.2 . 1 . . . . . . . . 4870 1 425 . 1 1 44 44 LEU N N 15 121.7 0.2 . 1 . . . . . . . . 4870 1 426 . 1 1 44 44 LEU H H 1 7.97 0.02 . 1 . . . . . . . . 4870 1 427 . 1 1 44 44 LEU CA C 13 55.3 0.2 . 1 . . . . . . . . 4870 1 428 . 1 1 44 44 LEU HA H 1 4.40 0.02 . 1 . . . . . . . . 4870 1 429 . 1 1 44 44 LEU CB C 13 42.2 0.2 . 1 . . . . . . . . 4870 1 430 . 1 1 44 44 LEU HB2 H 1 1.72 0.02 . 1 . . . . . . . . 4870 1 431 . 1 1 44 44 LEU HB3 H 1 1.72 0.02 . 1 . . . . . . . . 4870 1 432 . 1 1 44 44 LEU CG C 13 26.9 0.2 . 1 . . . . . . . . 4870 1 433 . 1 1 44 44 LEU HG H 1 1.67 0.02 . 1 . . . . . . . . 4870 1 434 . 1 1 44 44 LEU HD11 H 1 0.95 0.02 . 2 . . . . . . . . 4870 1 435 . 1 1 44 44 LEU HD12 H 1 0.95 0.02 . 2 . . . . . . . . 4870 1 436 . 1 1 44 44 LEU HD13 H 1 0.95 0.02 . 2 . . . . . . . . 4870 1 437 . 1 1 44 44 LEU HD21 H 1 0.98 0.02 . 2 . . . . . . . . 4870 1 438 . 1 1 44 44 LEU HD22 H 1 0.98 0.02 . 2 . . . . . . . . 4870 1 439 . 1 1 44 44 LEU HD23 H 1 0.98 0.02 . 2 . . . . . . . . 4870 1 440 . 1 1 44 44 LEU CD1 C 13 24.8 0.2 . 1 . . . . . . . . 4870 1 441 . 1 1 44 44 LEU CD2 C 13 23.4 0.2 . 1 . . . . . . . . 4870 1 442 . 1 1 44 44 LEU C C 13 178.3 0.2 . 1 . . . . . . . . 4870 1 443 . 1 1 45 45 THR N N 15 113.8 0.2 . 1 . . . . . . . . 4870 1 444 . 1 1 45 45 THR H H 1 8.04 0.02 . 1 . . . . . . . . 4870 1 445 . 1 1 45 45 THR CA C 13 62.0 0.2 . 1 . . . . . . . . 4870 1 446 . 1 1 45 45 THR HA H 1 4.30 0.02 . 1 . . . . . . . . 4870 1 447 . 1 1 45 45 THR CB C 13 70.0 0.2 . 1 . . . . . . . . 4870 1 448 . 1 1 45 45 THR HB H 1 4.38 0.02 . 1 . . . . . . . . 4870 1 449 . 1 1 45 45 THR HG21 H 1 1.34 0.02 . 1 . . . . . . . . 4870 1 450 . 1 1 45 45 THR HG22 H 1 1.34 0.02 . 1 . . . . . . . . 4870 1 451 . 1 1 45 45 THR HG23 H 1 1.34 0.02 . 1 . . . . . . . . 4870 1 452 . 1 1 45 45 THR CG2 C 13 21.4 0.2 . 1 . . . . . . . . 4870 1 453 . 1 1 45 45 THR C C 13 175.3 0.2 . 1 . . . . . . . . 4870 1 454 . 1 1 46 46 ALA N N 15 125.0 0.2 . 1 . . . . . . . . 4870 1 455 . 1 1 46 46 ALA H H 1 8.34 0.02 . 1 . . . . . . . . 4870 1 456 . 1 1 46 46 ALA CA C 13 53.5 0.2 . 1 . . . . . . . . 4870 1 457 . 1 1 46 46 ALA HA H 1 4.23 0.02 . 1 . . . . . . . . 4870 1 458 . 1 1 46 46 ALA HB1 H 1 1.51 0.02 . 1 . . . . . . . . 4870 1 459 . 1 1 46 46 ALA HB2 H 1 1.51 0.02 . 1 . . . . . . . . 4870 1 460 . 1 1 46 46 ALA HB3 H 1 1.51 0.02 . 1 . . . . . . . . 4870 1 461 . 1 1 46 46 ALA CB C 13 18.3 0.2 . 1 . . . . . . . . 4870 1 462 . 1 1 46 46 ALA C C 13 179.3 0.2 . 1 . . . . . . . . 4870 1 463 . 1 1 47 47 ARG N N 15 118.7 0.2 . 1 . . . . . . . . 4870 1 464 . 1 1 47 47 ARG H H 1 8.19 0.02 . 1 . . . . . . . . 4870 1 465 . 1 1 47 47 ARG CA C 13 57.3 0.2 . 1 . . . . . . . . 4870 1 466 . 1 1 47 47 ARG HA H 1 4.21 0.02 . 1 . . . . . . . . 4870 1 467 . 1 1 47 47 ARG CB C 13 30.2 0.2 . 1 . . . . . . . . 4870 1 468 . 1 1 47 47 ARG HB2 H 1 1.92 0.02 . 1 . . . . . . . . 4870 1 469 . 1 1 47 47 ARG HB3 H 1 1.92 0.02 . 1 . . . . . . . . 4870 1 470 . 1 1 47 47 ARG CG C 13 26.9 0.2 . 1 . . . . . . . . 4870 1 471 . 1 1 47 47 ARG HG2 H 1 1.69 0.02 . 1 . . . . . . . . 4870 1 472 . 1 1 47 47 ARG HG3 H 1 1.69 0.02 . 1 . . . . . . . . 4870 1 473 . 1 1 47 47 ARG CD C 13 43.1 0.2 . 1 . . . . . . . . 4870 1 474 . 1 1 47 47 ARG HD2 H 1 3.23 0.02 . 1 . . . . . . . . 4870 1 475 . 1 1 47 47 ARG HD3 H 1 3.23 0.02 . 1 . . . . . . . . 4870 1 476 . 1 1 47 47 ARG C C 13 177.6 0.2 . 1 . . . . . . . . 4870 1 477 . 1 1 48 48 GLU N N 15 119.8 0.2 . 1 . . . . . . . . 4870 1 478 . 1 1 48 48 GLU H H 1 8.00 0.02 . 1 . . . . . . . . 4870 1 479 . 1 1 48 48 GLU CA C 13 56.6 0.2 . 1 . . . . . . . . 4870 1 480 . 1 1 48 48 GLU HA H 1 4.22 0.02 . 1 . . . . . . . . 4870 1 481 . 1 1 48 48 GLU CB C 13 28.4 0.2 . 1 . . . . . . . . 4870 1 482 . 1 1 48 48 GLU HB2 H 1 2.15 0.02 . 1 . . . . . . . . 4870 1 483 . 1 1 48 48 GLU HB3 H 1 2.15 0.02 . 1 . . . . . . . . 4870 1 484 . 1 1 48 48 GLU CG C 13 33.0 0.2 . 1 . . . . . . . . 4870 1 485 . 1 1 48 48 GLU HG2 H 1 2.53 0.02 . 1 . . . . . . . . 4870 1 486 . 1 1 48 48 GLU HG3 H 1 2.53 0.02 . 1 . . . . . . . . 4870 1 487 . 1 1 48 48 GLU C C 13 177.1 0.2 . 1 . . . . . . . . 4870 1 488 . 1 1 49 49 ALA N N 15 123.5 0.2 . 1 . . . . . . . . 4870 1 489 . 1 1 49 49 ALA H H 1 8.31 0.02 . 1 . . . . . . . . 4870 1 490 . 1 1 49 49 ALA CA C 13 53.4 0.2 . 1 . . . . . . . . 4870 1 491 . 1 1 49 49 ALA HA H 1 4.19 0.02 . 1 . . . . . . . . 4870 1 492 . 1 1 49 49 ALA HB1 H 1 1.50 0.02 . 1 . . . . . . . . 4870 1 493 . 1 1 49 49 ALA HB2 H 1 1.50 0.02 . 1 . . . . . . . . 4870 1 494 . 1 1 49 49 ALA HB3 H 1 1.50 0.02 . 1 . . . . . . . . 4870 1 495 . 1 1 49 49 ALA CB C 13 18.5 0.2 . 1 . . . . . . . . 4870 1 496 . 1 1 49 49 ALA C C 13 178.6 0.2 . 1 . . . . . . . . 4870 1 497 . 1 1 50 50 LYS N N 15 119.4 0.2 . 1 . . . . . . . . 4870 1 498 . 1 1 50 50 LYS H H 1 7.98 0.02 . 1 . . . . . . . . 4870 1 499 . 1 1 50 50 LYS CA C 13 57.4 0.2 . 1 . . . . . . . . 4870 1 500 . 1 1 50 50 LYS HA H 1 4.19 0.02 . 1 . . . . . . . . 4870 1 501 . 1 1 50 50 LYS CB C 13 32.4 0.2 . 1 . . . . . . . . 4870 1 502 . 1 1 50 50 LYS HB2 H 1 1.94 0.02 . 1 . . . . . . . . 4870 1 503 . 1 1 50 50 LYS HB3 H 1 1.94 0.02 . 1 . . . . . . . . 4870 1 504 . 1 1 50 50 LYS CG C 13 24.6 0.2 . 1 . . . . . . . . 4870 1 505 . 1 1 50 50 LYS HG2 H 1 1.52 0.02 . 4 . . . . . . . . 4870 1 506 . 1 1 50 50 LYS HG3 H 1 1.52 0.02 . 4 . . . . . . . . 4870 1 507 . 1 1 50 50 LYS CD C 13 29.0 0.2 . 1 . . . . . . . . 4870 1 508 . 1 1 50 50 LYS HD2 H 1 1.75 0.02 . 4 . . . . . . . . 4870 1 509 . 1 1 50 50 LYS HD3 H 1 1.75 0.02 . 4 . . . . . . . . 4870 1 510 . 1 1 50 50 LYS CE C 13 42.0 0.2 . 1 . . . . . . . . 4870 1 511 . 1 1 50 50 LYS HE2 H 1 3.02 0.02 . 1 . . . . . . . . 4870 1 512 . 1 1 50 50 LYS HE3 H 1 3.02 0.02 . 1 . . . . . . . . 4870 1 513 . 1 1 50 50 LYS C C 13 177.6 0.2 . 1 . . . . . . . . 4870 1 514 . 1 1 51 51 VAL N N 15 120.2 0.2 . 1 . . . . . . . . 4870 1 515 . 1 1 51 51 VAL H H 1 7.86 0.02 . 1 . . . . . . . . 4870 1 516 . 1 1 51 51 VAL CA C 13 63.6 0.2 . 1 . . . . . . . . 4870 1 517 . 1 1 51 51 VAL HA H 1 3.96 0.02 . 1 . . . . . . . . 4870 1 518 . 1 1 51 51 VAL CB C 13 32.1 0.2 . 1 . . . . . . . . 4870 1 519 . 1 1 51 51 VAL HB H 1 2.16 0.02 . 1 . . . . . . . . 4870 1 520 . 1 1 51 51 VAL CG1 C 13 20.8 0.2 . 1 . . . . . . . . 4870 1 521 . 1 1 51 51 VAL HG11 H 1 1.08 0.02 . 1 . . . . . . . . 4870 1 522 . 1 1 51 51 VAL HG12 H 1 1.08 0.02 . 1 . . . . . . . . 4870 1 523 . 1 1 51 51 VAL HG13 H 1 1.08 0.02 . 1 . . . . . . . . 4870 1 524 . 1 1 51 51 VAL HG21 H 1 1.08 0.02 . 1 . . . . . . . . 4870 1 525 . 1 1 51 51 VAL HG22 H 1 1.08 0.02 . 1 . . . . . . . . 4870 1 526 . 1 1 51 51 VAL HG23 H 1 1.08 0.02 . 1 . . . . . . . . 4870 1 527 . 1 1 51 51 VAL C C 13 177.2 0.2 . 1 . . . . . . . . 4870 1 528 . 1 1 52 52 LEU N N 15 123.6 0.2 . 1 . . . . . . . . 4870 1 529 . 1 1 52 52 LEU H H 1 8.10 0.02 . 1 . . . . . . . . 4870 1 530 . 1 1 52 52 LEU CA C 13 56.0 0.2 . 1 . . . . . . . . 4870 1 531 . 1 1 52 52 LEU HA H 1 4.26 0.02 . 1 . . . . . . . . 4870 1 532 . 1 1 52 52 LEU CB C 13 41.9 0.2 . 1 . . . . . . . . 4870 1 533 . 1 1 52 52 LEU HB2 H 1 1.67 0.02 . 1 . . . . . . . . 4870 1 534 . 1 1 52 52 LEU HB3 H 1 1.67 0.02 . 1 . . . . . . . . 4870 1 535 . 1 1 52 52 LEU CG C 13 27.1 0.2 . 1 . . . . . . . . 4870 1 536 . 1 1 52 52 LEU HG H 1 1.59 0.02 . 1 . . . . . . . . 4870 1 537 . 1 1 52 52 LEU CD1 C 13 23.9 0.2 . 1 . . . . . . . . 4870 1 538 . 1 1 52 52 LEU HD11 H 1 0.99 0.02 . 1 . . . . . . . . 4870 1 539 . 1 1 52 52 LEU HD12 H 1 0.99 0.02 . 1 . . . . . . . . 4870 1 540 . 1 1 52 52 LEU HD13 H 1 0.99 0.02 . 1 . . . . . . . . 4870 1 541 . 1 1 52 52 LEU HD21 H 1 0.99 0.02 . 1 . . . . . . . . 4870 1 542 . 1 1 52 52 LEU HD22 H 1 0.99 0.02 . 1 . . . . . . . . 4870 1 543 . 1 1 52 52 LEU HD23 H 1 0.99 0.02 . 1 . . . . . . . . 4870 1 544 . 1 1 52 52 LEU C C 13 177.9 0.2 . 1 . . . . . . . . 4870 1 545 . 1 1 53 53 ARG N N 15 120.0 0.2 . 1 . . . . . . . . 4870 1 546 . 1 1 53 53 ARG H H 1 8.12 0.02 . 1 . . . . . . . . 4870 1 547 . 1 1 53 53 ARG C C 13 176.5 0.2 . 1 . . . . . . . . 4870 1 548 . 1 1 54 54 MET N N 15 120.7 0.2 . 1 . . . . . . . . 4870 1 549 . 1 1 54 54 MET H H 1 8.13 0.02 . 1 . . . . . . . . 4870 1 550 . 1 1 54 54 MET CA C 13 55.8 0.2 . 1 . . . . . . . . 4870 1 551 . 1 1 54 54 MET HA H 1 4.34 0.02 . 1 . . . . . . . . 4870 1 552 . 1 1 54 54 MET CB C 13 32.0 0.2 . 1 . . . . . . . . 4870 1 553 . 1 1 54 54 MET CG C 13 31.9 0.2 . 1 . . . . . . . . 4870 1 554 . 1 1 54 54 MET HG2 H 1 2.60 0.02 . 1 . . . . . . . . 4870 1 555 . 1 1 54 54 MET HG3 H 1 2.60 0.02 . 1 . . . . . . . . 4870 1 556 . 1 1 54 54 MET C C 13 176.3 0.2 . 1 . . . . . . . . 4870 1 557 . 1 1 55 55 ARG N N 15 120.8 0.2 . 1 . . . . . . . . 4870 1 558 . 1 1 55 55 ARG H H 1 8.12 0.02 . 1 . . . . . . . . 4870 1 559 . 1 1 55 55 ARG CA C 13 56.5 0.2 . 1 . . . . . . . . 4870 1 560 . 1 1 55 55 ARG HA H 1 4.22 0.02 . 1 . . . . . . . . 4870 1 561 . 1 1 55 55 ARG CB C 13 30.4 0.2 . 1 . . . . . . . . 4870 1 562 . 1 1 55 55 ARG HB2 H 1 1.87 0.02 . 1 . . . . . . . . 4870 1 563 . 1 1 55 55 ARG HB3 H 1 1.87 0.02 . 1 . . . . . . . . 4870 1 564 . 1 1 55 55 ARG CG C 13 26.8 0.2 . 1 . . . . . . . . 4870 1 565 . 1 1 55 55 ARG HG2 H 1 1.66 0.02 . 1 . . . . . . . . 4870 1 566 . 1 1 55 55 ARG HG3 H 1 1.66 0.02 . 1 . . . . . . . . 4870 1 567 . 1 1 55 55 ARG CD C 13 43.2 0.2 . 1 . . . . . . . . 4870 1 568 . 1 1 55 55 ARG HD2 H 1 3.20 0.02 . 1 . . . . . . . . 4870 1 569 . 1 1 55 55 ARG HD3 H 1 3.20 0.02 . 1 . . . . . . . . 4870 1 570 . 1 1 55 55 ARG C C 13 176.2 0.2 . 1 . . . . . . . . 4870 1 571 . 1 1 56 56 PHE N N 15 120.1 0.2 . 1 . . . . . . . . 4870 1 572 . 1 1 56 56 PHE H H 1 8.15 0.02 . 1 . . . . . . . . 4870 1 573 . 1 1 56 56 PHE CA C 13 57.5 0.2 . 1 . . . . . . . . 4870 1 574 . 1 1 56 56 PHE HA H 1 4.67 0.02 . 1 . . . . . . . . 4870 1 575 . 1 1 56 56 PHE CB C 13 39.5 0.2 . 1 . . . . . . . . 4870 1 576 . 1 1 56 56 PHE HB2 H 1 3.25 0.02 . 2 . . . . . . . . 4870 1 577 . 1 1 56 56 PHE HB3 H 1 3.04 0.02 . 2 . . . . . . . . 4870 1 578 . 1 1 56 56 PHE C C 13 176.3 0.2 . 1 . . . . . . . . 4870 1 579 . 1 1 57 57 GLY N N 15 110.1 0.2 . 1 . . . . . . . . 4870 1 580 . 1 1 57 57 GLY H H 1 8.17 0.02 . 1 . . . . . . . . 4870 1 581 . 1 1 57 57 GLY CA C 13 45.2 0.2 . 1 . . . . . . . . 4870 1 582 . 1 1 57 57 GLY HA2 H 1 3.99 0.02 . 2 . . . . . . . . 4870 1 583 . 1 1 57 57 GLY HA3 H 1 3.92 0.02 . 2 . . . . . . . . 4870 1 584 . 1 1 57 57 GLY C C 13 174.2 0.2 . 1 . . . . . . . . 4870 1 585 . 1 1 58 58 ILE N N 15 119.2 0.2 . 1 . . . . . . . . 4870 1 586 . 1 1 58 58 ILE H H 1 7.88 0.02 . 1 . . . . . . . . 4870 1 587 . 1 1 58 58 ILE CA C 13 60.9 0.2 . 1 . . . . . . . . 4870 1 588 . 1 1 58 58 ILE HA H 1 4.18 0.02 . 1 . . . . . . . . 4870 1 589 . 1 1 58 58 ILE CB C 13 38.6 0.2 . 1 . . . . . . . . 4870 1 590 . 1 1 58 58 ILE HB H 1 1.91 0.02 . 1 . . . . . . . . 4870 1 591 . 1 1 58 58 ILE HG21 H 1 0.96 0.02 . 1 . . . . . . . . 4870 1 592 . 1 1 58 58 ILE HG22 H 1 0.96 0.02 . 1 . . . . . . . . 4870 1 593 . 1 1 58 58 ILE HG23 H 1 0.96 0.02 . 1 . . . . . . . . 4870 1 594 . 1 1 58 58 ILE CG2 C 13 17.2 0.2 . 1 . . . . . . . . 4870 1 595 . 1 1 58 58 ILE CG1 C 13 26.9 0.2 . 1 . . . . . . . . 4870 1 596 . 1 1 58 58 ILE HG12 H 1 1.24 0.02 . 2 . . . . . . . . 4870 1 597 . 1 1 58 58 ILE HG13 H 1 1.50 0.02 . 2 . . . . . . . . 4870 1 598 . 1 1 58 58 ILE HD11 H 1 0.97 0.02 . 1 . . . . . . . . 4870 1 599 . 1 1 58 58 ILE HD12 H 1 0.97 0.02 . 1 . . . . . . . . 4870 1 600 . 1 1 58 58 ILE HD13 H 1 0.97 0.02 . 1 . . . . . . . . 4870 1 601 . 1 1 58 58 ILE CD1 C 13 12.7 0.2 . 1 . . . . . . . . 4870 1 602 . 1 1 58 58 ILE C C 13 176.0 0.2 . 1 . . . . . . . . 4870 1 603 . 1 1 59 59 ASP N N 15 122.3 0.2 . 1 . . . . . . . . 4870 1 604 . 1 1 59 59 ASP H H 1 8.51 0.02 . 1 . . . . . . . . 4870 1 605 . 1 1 59 59 ASP CA C 13 52.8 0.2 . 1 . . . . . . . . 4870 1 606 . 1 1 59 59 ASP HA H 1 4.68 0.02 . 1 . . . . . . . . 4870 1 607 . 1 1 59 59 ASP CB C 13 38.2 0.2 . 1 . . . . . . . . 4870 1 608 . 1 1 59 59 ASP HB2 H 1 2.99 0.02 . 2 . . . . . . . . 4870 1 609 . 1 1 59 59 ASP HB3 H 1 2.84 0.02 . 2 . . . . . . . . 4870 1 610 . 1 1 59 59 ASP C C 13 175.4 0.2 . 1 . . . . . . . . 4870 1 611 . 1 1 60 60 MET N N 15 120.9 0.2 . 1 . . . . . . . . 4870 1 612 . 1 1 60 60 MET H H 1 8.30 0.02 . 1 . . . . . . . . 4870 1 613 . 1 1 60 60 MET CA C 13 55.3 0.2 . 1 . . . . . . . . 4870 1 614 . 1 1 60 60 MET HA H 1 4.46 0.02 . 1 . . . . . . . . 4870 1 615 . 1 1 60 60 MET CB C 13 32.1 0.2 . 1 . . . . . . . . 4870 1 616 . 1 1 60 60 MET CG C 13 31.7 0.2 . 1 . . . . . . . . 4870 1 617 . 1 1 60 60 MET HG2 H 1 2.56 0.02 . 1 . . . . . . . . 4870 1 618 . 1 1 60 60 MET HG3 H 1 2.56 0.02 . 1 . . . . . . . . 4870 1 619 . 1 1 60 60 MET C C 13 176.1 0.2 . 1 . . . . . . . . 4870 1 620 . 1 1 61 61 ASN N N 15 119.2 0.2 . 1 . . . . . . . . 4870 1 621 . 1 1 61 61 ASN H H 1 8.36 0.02 . 1 . . . . . . . . 4870 1 622 . 1 1 61 61 ASN CA C 13 53.1 0.2 . 1 . . . . . . . . 4870 1 623 . 1 1 61 61 ASN HA H 1 4.72 0.02 . 1 . . . . . . . . 4870 1 624 . 1 1 61 61 ASN CB C 13 38.5 0.2 . 1 . . . . . . . . 4870 1 625 . 1 1 61 61 ASN HB2 H 1 2.89 0.02 . 2 . . . . . . . . 4870 1 626 . 1 1 61 61 ASN HB3 H 1 2.83 0.02 . 2 . . . . . . . . 4870 1 627 . 1 1 61 61 ASN CG C 13 177.2 0.2 . 1 . . . . . . . . 4870 1 628 . 1 1 61 61 ASN ND2 N 15 112.6 0.2 . 1 . . . . . . . . 4870 1 629 . 1 1 61 61 ASN HD21 H 1 7.59 0.02 . 1 . . . . . . . . 4870 1 630 . 1 1 61 61 ASN HD22 H 1 6.91 0.02 . 1 . . . . . . . . 4870 1 631 . 1 1 61 61 ASN C C 13 175.7 0.2 . 1 . . . . . . . . 4870 1 632 . 1 1 62 62 THR N N 15 114.0 0.2 . 1 . . . . . . . . 4870 1 633 . 1 1 62 62 THR H H 1 8.02 0.02 . 1 . . . . . . . . 4870 1 634 . 1 1 62 62 THR CA C 13 61.8 0.2 . 1 . . . . . . . . 4870 1 635 . 1 1 62 62 THR HA H 1 4.24 0.02 . 1 . . . . . . . . 4870 1 636 . 1 1 62 62 THR CB C 13 69.3 0.2 . 1 . . . . . . . . 4870 1 637 . 1 1 62 62 THR HB H 1 4.17 0.02 . 1 . . . . . . . . 4870 1 638 . 1 1 62 62 THR HG21 H 1 1.18 0.02 . 1 . . . . . . . . 4870 1 639 . 1 1 62 62 THR HG22 H 1 1.18 0.02 . 1 . . . . . . . . 4870 1 640 . 1 1 62 62 THR HG23 H 1 1.18 0.02 . 1 . . . . . . . . 4870 1 641 . 1 1 62 62 THR CG2 C 13 21.1 0.2 . 1 . . . . . . . . 4870 1 642 . 1 1 62 62 THR C C 13 174.4 0.2 . 1 . . . . . . . . 4870 1 643 . 1 1 63 63 ASP N N 15 121.0 0.2 . 1 . . . . . . . . 4870 1 644 . 1 1 63 63 ASP H H 1 8.33 0.02 . 1 . . . . . . . . 4870 1 645 . 1 1 63 63 ASP CA C 13 52.8 0.2 . 1 . . . . . . . . 4870 1 646 . 1 1 63 63 ASP HA H 1 4.66 0.02 . 1 . . . . . . . . 4870 1 647 . 1 1 63 63 ASP CB C 13 38.0 0.2 . 1 . . . . . . . . 4870 1 648 . 1 1 63 63 ASP HB2 H 1 2.87 0.02 . 2 . . . . . . . . 4870 1 649 . 1 1 63 63 ASP HB3 H 1 2.78 0.02 . 2 . . . . . . . . 4870 1 650 . 1 1 63 63 ASP C C 13 175.5 0.2 . 1 . . . . . . . . 4870 1 651 . 1 1 64 64 TYR N N 15 121.0 0.2 . 1 . . . . . . . . 4870 1 652 . 1 1 64 64 TYR H H 1 8.05 0.02 . 1 . . . . . . . . 4870 1 653 . 1 1 64 64 TYR CA C 13 58.2 0.2 . 1 . . . . . . . . 4870 1 654 . 1 1 64 64 TYR HA H 1 4.57 0.02 . 1 . . . . . . . . 4870 1 655 . 1 1 64 64 TYR CB C 13 38.3 0.2 . 1 . . . . . . . . 4870 1 656 . 1 1 64 64 TYR HB2 H 1 3.11 0.02 . 2 . . . . . . . . 4870 1 657 . 1 1 64 64 TYR HB3 H 1 3.01 0.02 . 2 . . . . . . . . 4870 1 658 . 1 1 64 64 TYR C C 13 176.4 0.2 . 1 . . . . . . . . 4870 1 659 . 1 1 65 65 THR N N 15 114.9 0.2 . 1 . . . . . . . . 4870 1 660 . 1 1 65 65 THR H H 1 7.97 0.02 . 1 . . . . . . . . 4870 1 661 . 1 1 65 65 THR CA C 13 62.2 0.2 . 1 . . . . . . . . 4870 1 662 . 1 1 65 65 THR HA H 1 4.23 0.02 . 1 . . . . . . . . 4870 1 663 . 1 1 65 65 THR CB C 13 69.4 0.2 . 1 . . . . . . . . 4870 1 664 . 1 1 65 65 THR HB H 1 4.25 0.02 . 1 . . . . . . . . 4870 1 665 . 1 1 65 65 THR HG21 H 1 1.24 0.02 . 1 . . . . . . . . 4870 1 666 . 1 1 65 65 THR HG22 H 1 1.24 0.02 . 1 . . . . . . . . 4870 1 667 . 1 1 65 65 THR HG23 H 1 1.24 0.02 . 1 . . . . . . . . 4870 1 668 . 1 1 65 65 THR CG2 C 13 21.3 0.2 . 1 . . . . . . . . 4870 1 669 . 1 1 65 65 THR C C 13 174.9 0.2 . 1 . . . . . . . . 4870 1 670 . 1 1 66 66 LEU N N 15 123.1 0.2 . 1 . . . . . . . . 4870 1 671 . 1 1 66 66 LEU H H 1 8.01 0.02 . 1 . . . . . . . . 4870 1 672 . 1 1 66 66 LEU CA C 13 55.7 0.2 . 1 . . . . . . . . 4870 1 673 . 1 1 66 66 LEU HA H 1 4.26 0.02 . 1 . . . . . . . . 4870 1 674 . 1 1 66 66 LEU CB C 13 42.0 0.2 . 1 . . . . . . . . 4870 1 675 . 1 1 66 66 LEU HB2 H 1 1.77 0.02 . 1 . . . . . . . . 4870 1 676 . 1 1 66 66 LEU HB3 H 1 1.77 0.02 . 1 . . . . . . . . 4870 1 677 . 1 1 66 66 LEU CG C 13 27.3 0.2 . 1 . . . . . . . . 4870 1 678 . 1 1 66 66 LEU HG H 1 1.62 0.02 . 1 . . . . . . . . 4870 1 679 . 1 1 66 66 LEU HD11 H 1 0.92 0.02 . 2 . . . . . . . . 4870 1 680 . 1 1 66 66 LEU HD12 H 1 0.92 0.02 . 2 . . . . . . . . 4870 1 681 . 1 1 66 66 LEU HD13 H 1 0.92 0.02 . 2 . . . . . . . . 4870 1 682 . 1 1 66 66 LEU HD21 H 1 0.96 0.02 . 2 . . . . . . . . 4870 1 683 . 1 1 66 66 LEU HD22 H 1 0.96 0.02 . 2 . . . . . . . . 4870 1 684 . 1 1 66 66 LEU HD23 H 1 0.96 0.02 . 2 . . . . . . . . 4870 1 685 . 1 1 66 66 LEU CD1 C 13 25.0 0.2 . 1 . . . . . . . . 4870 1 686 . 1 1 66 66 LEU CD2 C 13 23.0 0.2 . 1 . . . . . . . . 4870 1 687 . 1 1 66 66 LEU C C 13 177.8 0.2 . 1 . . . . . . . . 4870 1 688 . 1 1 67 67 GLU N N 15 120.4 0.2 . 1 . . . . . . . . 4870 1 689 . 1 1 67 67 GLU H H 1 8.11 0.02 . 1 . . . . . . . . 4870 1 690 . 1 1 67 67 GLU CA C 13 56.1 0.2 . 1 . . . . . . . . 4870 1 691 . 1 1 67 67 GLU HA H 1 4.37 0.02 . 1 . . . . . . . . 4870 1 692 . 1 1 67 67 GLU CB C 13 28.4 0.2 . 1 . . . . . . . . 4870 1 693 . 1 1 67 67 GLU HB2 H 1 2.09 0.02 . 1 . . . . . . . . 4870 1 694 . 1 1 67 67 GLU HB3 H 1 2.09 0.02 . 1 . . . . . . . . 4870 1 695 . 1 1 67 67 GLU CG C 13 32.8 0.2 . 1 . . . . . . . . 4870 1 696 . 1 1 67 67 GLU HG2 H 1 2.49 0.02 . 1 . . . . . . . . 4870 1 697 . 1 1 67 67 GLU HG3 H 1 2.49 0.02 . 1 . . . . . . . . 4870 1 698 . 1 1 67 67 GLU C C 13 176.6 0.2 . 1 . . . . . . . . 4870 1 699 . 1 1 68 68 GLU N N 15 120.5 0.2 . 1 . . . . . . . . 4870 1 700 . 1 1 68 68 GLU H H 1 8.12 0.02 . 1 . . . . . . . . 4870 1 701 . 1 1 68 68 GLU CA C 13 55.6 0.2 . 1 . . . . . . . . 4870 1 702 . 1 1 68 68 GLU HA H 1 4.31 0.02 . 1 . . . . . . . . 4870 1 703 . 1 1 68 68 GLU CB C 13 28.5 0.2 . 1 . . . . . . . . 4870 1 704 . 1 1 68 68 GLU HB2 H 1 2.15 0.02 . 1 . . . . . . . . 4870 1 705 . 1 1 68 68 GLU HB3 H 1 2.15 0.02 . 1 . . . . . . . . 4870 1 706 . 1 1 68 68 GLU CG C 13 32.7 0.2 . 1 . . . . . . . . 4870 1 707 . 1 1 68 68 GLU HG2 H 1 2.42 0.02 . 1 . . . . . . . . 4870 1 708 . 1 1 68 68 GLU HG3 H 1 2.42 0.02 . 1 . . . . . . . . 4870 1 709 . 1 1 68 68 GLU C C 13 176.4 0.2 . 1 . . . . . . . . 4870 1 710 . 1 1 69 69 VAL N N 15 120.4 0.2 . 1 . . . . . . . . 4870 1 711 . 1 1 69 69 VAL H H 1 8.03 0.02 . 1 . . . . . . . . 4870 1 712 . 1 1 69 69 VAL CA C 13 62.6 0.2 . 1 . . . . . . . . 4870 1 713 . 1 1 69 69 VAL HA H 1 4.08 0.02 . 1 . . . . . . . . 4870 1 714 . 1 1 69 69 VAL CB C 13 32.4 0.2 . 1 . . . . . . . . 4870 1 715 . 1 1 69 69 VAL HB H 1 2.16 0.02 . 1 . . . . . . . . 4870 1 716 . 1 1 69 69 VAL CG1 C 13 20.6 0.2 . 1 . . . . . . . . 4870 1 717 . 1 1 69 69 VAL HG11 H 1 1.03 0.02 . 1 . . . . . . . . 4870 1 718 . 1 1 69 69 VAL HG12 H 1 1.03 0.02 . 1 . . . . . . . . 4870 1 719 . 1 1 69 69 VAL HG13 H 1 1.03 0.02 . 1 . . . . . . . . 4870 1 720 . 1 1 69 69 VAL HG21 H 1 1.03 0.02 . 1 . . . . . . . . 4870 1 721 . 1 1 69 69 VAL HG22 H 1 1.03 0.02 . 1 . . . . . . . . 4870 1 722 . 1 1 69 69 VAL HG23 H 1 1.03 0.02 . 1 . . . . . . . . 4870 1 723 . 1 1 69 69 VAL C C 13 177.0 0.2 . 1 . . . . . . . . 4870 1 724 . 1 1 70 70 GLY N N 15 111.6 0.2 . 1 . . . . . . . . 4870 1 725 . 1 1 70 70 GLY H H 1 8.38 0.02 . 1 . . . . . . . . 4870 1 726 . 1 1 70 70 GLY CA C 13 45.1 0.2 . 1 . . . . . . . . 4870 1 727 . 1 1 70 70 GLY HA2 H 1 3.99 0.02 . 1 . . . . . . . . 4870 1 728 . 1 1 70 70 GLY HA3 H 1 3.99 0.02 . 1 . . . . . . . . 4870 1 729 . 1 1 70 70 GLY C C 13 174.7 0.2 . 1 . . . . . . . . 4870 1 730 . 1 1 71 71 LYS N N 15 120.7 0.2 . 1 . . . . . . . . 4870 1 731 . 1 1 71 71 LYS H H 1 8.09 0.02 . 1 . . . . . . . . 4870 1 732 . 1 1 71 71 LYS CA C 13 56.2 0.2 . 1 . . . . . . . . 4870 1 733 . 1 1 71 71 LYS HA H 1 4.28 0.02 . 1 . . . . . . . . 4870 1 734 . 1 1 71 71 LYS CB C 13 32.6 0.2 . 1 . . . . . . . . 4870 1 735 . 1 1 71 71 LYS HB2 H 1 1.87 0.02 . 1 . . . . . . . . 4870 1 736 . 1 1 71 71 LYS HB3 H 1 1.87 0.02 . 1 . . . . . . . . 4870 1 737 . 1 1 71 71 LYS CG C 13 24.5 0.2 . 1 . . . . . . . . 4870 1 738 . 1 1 71 71 LYS HG2 H 1 1.48 0.02 . 4 . . . . . . . . 4870 1 739 . 1 1 71 71 LYS HG3 H 1 1.48 0.02 . 4 . . . . . . . . 4870 1 740 . 1 1 71 71 LYS CD C 13 29.4 0.2 . 1 . . . . . . . . 4870 1 741 . 1 1 71 71 LYS HD2 H 1 1.81 0.02 . 4 . . . . . . . . 4870 1 742 . 1 1 71 71 LYS HD3 H 1 1.81 0.02 . 4 . . . . . . . . 4870 1 743 . 1 1 71 71 LYS CE C 13 42.0 0.2 . 1 . . . . . . . . 4870 1 744 . 1 1 71 71 LYS HE2 H 1 3.00 0.02 . 1 . . . . . . . . 4870 1 745 . 1 1 71 71 LYS HE3 H 1 3.00 0.02 . 1 . . . . . . . . 4870 1 746 . 1 1 71 71 LYS C C 13 177.0 0.2 . 1 . . . . . . . . 4870 1 747 . 1 1 72 72 GLN N N 15 120.1 0.2 . 1 . . . . . . . . 4870 1 748 . 1 1 72 72 GLN H H 1 8.33 0.02 . 1 . . . . . . . . 4870 1 749 . 1 1 72 72 GLN CA C 13 55.9 0.2 . 1 . . . . . . . . 4870 1 750 . 1 1 72 72 GLN HA H 1 4.24 0.02 . 1 . . . . . . . . 4870 1 751 . 1 1 72 72 GLN CB C 13 28.5 0.2 . 1 . . . . . . . . 4870 1 752 . 1 1 72 72 GLN HB2 H 1 2.00 0.02 . 1 . . . . . . . . 4870 1 753 . 1 1 72 72 GLN HB3 H 1 2.00 0.02 . 1 . . . . . . . . 4870 1 754 . 1 1 72 72 GLN CG C 13 33.4 0.2 . 1 . . . . . . . . 4870 1 755 . 1 1 72 72 GLN HG2 H 1 2.25 0.02 . 1 . . . . . . . . 4870 1 756 . 1 1 72 72 GLN HG3 H 1 2.25 0.02 . 1 . . . . . . . . 4870 1 757 . 1 1 72 72 GLN CD C 13 180.5 0.2 . 1 . . . . . . . . 4870 1 758 . 1 1 72 72 GLN NE2 N 15 111.9 0.2 . 1 . . . . . . . . 4870 1 759 . 1 1 72 72 GLN HE21 H 1 7.43 0.02 . 1 . . . . . . . . 4870 1 760 . 1 1 72 72 GLN HE22 H 1 6.84 0.02 . 1 . . . . . . . . 4870 1 761 . 1 1 72 72 GLN C C 13 176.1 0.2 . 1 . . . . . . . . 4870 1 762 . 1 1 73 73 PHE CA C 13 57.6 0.2 . 1 . . . . . . . . 4870 1 763 . 1 1 73 73 PHE HA H 1 4.59 0.02 . 1 . . . . . . . . 4870 1 764 . 1 1 73 73 PHE CB C 13 39.3 0.2 . 1 . . . . . . . . 4870 1 765 . 1 1 73 73 PHE HB2 H 1 3.17 0.02 . 2 . . . . . . . . 4870 1 766 . 1 1 73 73 PHE HB3 H 1 3.06 0.02 . 2 . . . . . . . . 4870 1 767 . 1 1 73 73 PHE C C 13 175.7 0.2 . 1 . . . . . . . . 4870 1 768 . 1 1 74 74 ASP N N 15 120.9 0.2 . 1 . . . . . . . . 4870 1 769 . 1 1 74 74 ASP H H 1 8.26 0.02 . 1 . . . . . . . . 4870 1 770 . 1 1 74 74 ASP CA C 13 53.5 0.2 . 1 . . . . . . . . 4870 1 771 . 1 1 74 74 ASP HA H 1 4.65 0.02 . 1 . . . . . . . . 4870 1 772 . 1 1 74 74 ASP CB C 13 38.7 0.2 . 1 . . . . . . . . 4870 1 773 . 1 1 74 74 ASP HB2 H 1 2.90 0.02 . 2 . . . . . . . . 4870 1 774 . 1 1 74 74 ASP HB3 H 1 2.81 0.02 . 2 . . . . . . . . 4870 1 775 . 1 1 74 74 ASP C C 13 176.0 0.2 . 1 . . . . . . . . 4870 1 776 . 1 1 75 75 VAL N N 15 120.7 0.2 . 1 . . . . . . . . 4870 1 777 . 1 1 75 75 VAL H H 1 8.10 0.02 . 1 . . . . . . . . 4870 1 778 . 1 1 75 75 VAL CA C 13 63.0 0.2 . 1 . . . . . . . . 4870 1 779 . 1 1 75 75 VAL HA H 1 4.07 0.02 . 1 . . . . . . . . 4870 1 780 . 1 1 75 75 VAL CB C 13 32.1 0.2 . 1 . . . . . . . . 4870 1 781 . 1 1 75 75 VAL HB H 1 2.20 0.02 . 1 . . . . . . . . 4870 1 782 . 1 1 75 75 VAL CG1 C 13 20.6 0.2 . 1 . . . . . . . . 4870 1 783 . 1 1 75 75 VAL HG11 H 1 1.05 0.02 . 1 . . . . . . . . 4870 1 784 . 1 1 75 75 VAL HG12 H 1 1.05 0.02 . 1 . . . . . . . . 4870 1 785 . 1 1 75 75 VAL HG13 H 1 1.05 0.02 . 1 . . . . . . . . 4870 1 786 . 1 1 75 75 VAL HG21 H 1 1.05 0.02 . 1 . . . . . . . . 4870 1 787 . 1 1 75 75 VAL HG22 H 1 1.05 0.02 . 1 . . . . . . . . 4870 1 788 . 1 1 75 75 VAL HG23 H 1 1.05 0.02 . 1 . . . . . . . . 4870 1 789 . 1 1 75 75 VAL C C 13 177.1 0.2 . 1 . . . . . . . . 4870 1 790 . 1 1 76 76 THR N N 15 116.9 0.2 . 1 . . . . . . . . 4870 1 791 . 1 1 76 76 THR H H 1 8.10 0.02 . 1 . . . . . . . . 4870 1 792 . 1 1 76 76 THR CA C 13 63.2 0.2 . 1 . . . . . . . . 4870 1 793 . 1 1 76 76 THR HA H 1 4.23 0.02 . 1 . . . . . . . . 4870 1 794 . 1 1 76 76 THR CB C 13 69.3 0.2 . 1 . . . . . . . . 4870 1 795 . 1 1 76 76 THR HB H 1 4.27 0.02 . 1 . . . . . . . . 4870 1 796 . 1 1 76 76 THR HG21 H 1 1.31 0.02 . 1 . . . . . . . . 4870 1 797 . 1 1 76 76 THR HG22 H 1 1.31 0.02 . 1 . . . . . . . . 4870 1 798 . 1 1 76 76 THR HG23 H 1 1.31 0.02 . 1 . . . . . . . . 4870 1 799 . 1 1 76 76 THR CG2 C 13 21.4 0.2 . 1 . . . . . . . . 4870 1 800 . 1 1 76 76 THR C C 13 175.4 0.2 . 1 . . . . . . . . 4870 1 801 . 1 1 77 77 ARG N N 15 122.1 0.2 . 1 . . . . . . . . 4870 1 802 . 1 1 77 77 ARG H H 1 8.13 0.02 . 1 . . . . . . . . 4870 1 803 . 1 1 77 77 ARG CA C 13 56.5 0.2 . 1 . . . . . . . . 4870 1 804 . 1 1 77 77 ARG HA H 1 4.24 0.02 . 1 . . . . . . . . 4870 1 805 . 1 1 77 77 ARG CB C 13 30.4 0.2 . 1 . . . . . . . . 4870 1 806 . 1 1 77 77 ARG HB2 H 1 1.91 0.02 . 1 . . . . . . . . 4870 1 807 . 1 1 77 77 ARG HB3 H 1 1.91 0.02 . 1 . . . . . . . . 4870 1 808 . 1 1 77 77 ARG CG C 13 26.9 0.2 . 1 . . . . . . . . 4870 1 809 . 1 1 77 77 ARG HG2 H 1 1.68 0.02 . 1 . . . . . . . . 4870 1 810 . 1 1 77 77 ARG HG3 H 1 1.68 0.02 . 1 . . . . . . . . 4870 1 811 . 1 1 77 77 ARG CD C 13 43.3 0.2 . 1 . . . . . . . . 4870 1 812 . 1 1 77 77 ARG HD2 H 1 3.20 0.02 . 1 . . . . . . . . 4870 1 813 . 1 1 77 77 ARG HD3 H 1 3.20 0.02 . 1 . . . . . . . . 4870 1 814 . 1 1 77 77 ARG C C 13 175.9 0.2 . 1 . . . . . . . . 4870 1 815 . 1 1 78 78 GLU N N 15 119.8 0.2 . 1 . . . . . . . . 4870 1 816 . 1 1 78 78 GLU H H 1 8.12 0.02 . 1 . . . . . . . . 4870 1 817 . 1 1 78 78 GLU CA C 13 56.0 0.2 . 1 . . . . . . . . 4870 1 818 . 1 1 78 78 GLU HA H 1 4.27 0.02 . 1 . . . . . . . . 4870 1 819 . 1 1 78 78 GLU CB C 13 28.3 0.2 . 1 . . . . . . . . 4870 1 820 . 1 1 78 78 GLU HB2 H 1 2.15 0.02 . 1 . . . . . . . . 4870 1 821 . 1 1 78 78 GLU HB3 H 1 2.15 0.02 . 1 . . . . . . . . 4870 1 822 . 1 1 78 78 GLU CG C 13 33.0 0.2 . 1 . . . . . . . . 4870 1 823 . 1 1 78 78 GLU HG2 H 1 2.50 0.02 . 1 . . . . . . . . 4870 1 824 . 1 1 78 78 GLU HG3 H 1 2.50 0.02 . 1 . . . . . . . . 4870 1 825 . 1 1 78 78 GLU C C 13 176.5 0.2 . 1 . . . . . . . . 4870 1 826 . 1 1 79 79 ARG N N 15 121.5 0.2 . 1 . . . . . . . . 4870 1 827 . 1 1 79 79 ARG H H 1 8.22 0.02 . 1 . . . . . . . . 4870 1 828 . 1 1 79 79 ARG CA C 13 56.9 0.2 . 1 . . . . . . . . 4870 1 829 . 1 1 79 79 ARG HA H 1 4.25 0.02 . 1 . . . . . . . . 4870 1 830 . 1 1 79 79 ARG CB C 13 30.0 0.2 . 1 . . . . . . . . 4870 1 831 . 1 1 79 79 ARG HB2 H 1 1.92 0.02 . 1 . . . . . . . . 4870 1 832 . 1 1 79 79 ARG HB3 H 1 1.92 0.02 . 1 . . . . . . . . 4870 1 833 . 1 1 79 79 ARG CG C 13 27.0 0.2 . 1 . . . . . . . . 4870 1 834 . 1 1 79 79 ARG HG2 H 1 1.70 0.02 . 1 . . . . . . . . 4870 1 835 . 1 1 79 79 ARG HG3 H 1 1.70 0.02 . 1 . . . . . . . . 4870 1 836 . 1 1 79 79 ARG CD C 13 43.2 0.2 . 1 . . . . . . . . 4870 1 837 . 1 1 79 79 ARG HD2 H 1 3.21 0.02 . 1 . . . . . . . . 4870 1 838 . 1 1 79 79 ARG HD3 H 1 3.21 0.02 . 1 . . . . . . . . 4870 1 839 . 1 1 79 79 ARG C C 13 177.2 0.2 . 1 . . . . . . . . 4870 1 840 . 1 1 80 80 ILE N N 15 121.1 0.2 . 1 . . . . . . . . 4870 1 841 . 1 1 80 80 ILE H H 1 8.03 0.02 . 1 . . . . . . . . 4870 1 842 . 1 1 80 80 ILE CA C 13 62.0 0.2 . 1 . . . . . . . . 4870 1 843 . 1 1 80 80 ILE HA H 1 4.03 0.02 . 1 . . . . . . . . 4870 1 844 . 1 1 80 80 ILE CB C 13 38.1 0.2 . 1 . . . . . . . . 4870 1 845 . 1 1 80 80 ILE HB H 1 1.93 0.02 . 1 . . . . . . . . 4870 1 846 . 1 1 80 80 ILE HG21 H 1 0.98 0.02 . 1 . . . . . . . . 4870 1 847 . 1 1 80 80 ILE HG22 H 1 0.98 0.02 . 1 . . . . . . . . 4870 1 848 . 1 1 80 80 ILE HG23 H 1 0.98 0.02 . 1 . . . . . . . . 4870 1 849 . 1 1 80 80 ILE CG2 C 13 17.2 0.2 . 1 . . . . . . . . 4870 1 850 . 1 1 80 80 ILE CG1 C 13 27.3 0.2 . 1 . . . . . . . . 4870 1 851 . 1 1 80 80 ILE HG12 H 1 1.28 0.02 . 1 . . . . . . . . 4870 1 852 . 1 1 80 80 ILE HG13 H 1 1.28 0.02 . 1 . . . . . . . . 4870 1 853 . 1 1 80 80 ILE HD11 H 1 0.96 0.02 . 1 . . . . . . . . 4870 1 854 . 1 1 80 80 ILE HD12 H 1 0.96 0.02 . 1 . . . . . . . . 4870 1 855 . 1 1 80 80 ILE HD13 H 1 0.96 0.02 . 1 . . . . . . . . 4870 1 856 . 1 1 80 80 ILE CD1 C 13 12.5 0.2 . 1 . . . . . . . . 4870 1 857 . 1 1 80 80 ILE C C 13 177.0 0.2 . 1 . . . . . . . . 4870 1 858 . 1 1 81 81 ARG N N 15 123.5 0.2 . 1 . . . . . . . . 4870 1 859 . 1 1 81 81 ARG H H 1 8.22 0.02 . 1 . . . . . . . . 4870 1 860 . 1 1 81 81 ARG CA C 13 57.4 0.2 . 1 . . . . . . . . 4870 1 861 . 1 1 81 81 ARG HA H 1 4.26 0.02 . 1 . . . . . . . . 4870 1 862 . 1 1 81 81 ARG CB C 13 30.1 0.2 . 1 . . . . . . . . 4870 1 863 . 1 1 81 81 ARG HB2 H 1 1.90 0.02 . 1 . . . . . . . . 4870 1 864 . 1 1 81 81 ARG HB3 H 1 1.90 0.02 . 1 . . . . . . . . 4870 1 865 . 1 1 81 81 ARG CG C 13 27.3 0.2 . 1 . . . . . . . . 4870 1 866 . 1 1 81 81 ARG HG2 H 1 1.71 0.02 . 1 . . . . . . . . 4870 1 867 . 1 1 81 81 ARG HG3 H 1 1.71 0.02 . 1 . . . . . . . . 4870 1 868 . 1 1 81 81 ARG CD C 13 42.7 0.2 . 1 . . . . . . . . 4870 1 869 . 1 1 81 81 ARG HD2 H 1 3.20 0.02 . 1 . . . . . . . . 4870 1 870 . 1 1 81 81 ARG HD3 H 1 3.20 0.02 . 1 . . . . . . . . 4870 1 871 . 1 1 81 81 ARG C C 13 177.3 0.2 . 1 . . . . . . . . 4870 1 872 . 1 1 82 82 GLN N N 15 121.2 0.2 . 1 . . . . . . . . 4870 1 873 . 1 1 82 82 GLN H H 1 8.24 0.02 . 1 . . . . . . . . 4870 1 874 . 1 1 82 82 GLN CA C 13 56.5 0.2 . 1 . . . . . . . . 4870 1 875 . 1 1 82 82 GLN HA H 1 4.31 0.02 . 1 . . . . . . . . 4870 1 876 . 1 1 82 82 GLN CB C 13 28.9 0.2 . 1 . . . . . . . . 4870 1 877 . 1 1 82 82 GLN HB2 H 1 2.15 0.02 . 1 . . . . . . . . 4870 1 878 . 1 1 82 82 GLN HB3 H 1 2.15 0.02 . 1 . . . . . . . . 4870 1 879 . 1 1 82 82 GLN CG C 13 33.6 0.2 . 1 . . . . . . . . 4870 1 880 . 1 1 82 82 GLN HG2 H 1 2.44 0.02 . 1 . . . . . . . . 4870 1 881 . 1 1 82 82 GLN HG3 H 1 2.44 0.02 . 1 . . . . . . . . 4870 1 882 . 1 1 82 82 GLN CD C 13 180.3 0.2 . 1 . . . . . . . . 4870 1 883 . 1 1 82 82 GLN NE2 N 15 111.6 0.2 . 1 . . . . . . . . 4870 1 884 . 1 1 82 82 GLN HE21 H 1 7.50 0.02 . 1 . . . . . . . . 4870 1 885 . 1 1 82 82 GLN HE22 H 1 6.87 0.02 . 1 . . . . . . . . 4870 1 886 . 1 1 82 82 GLN C C 13 177.0 0.2 . 1 . . . . . . . . 4870 1 887 . 1 1 83 83 ILE N N 15 122.3 0.2 . 1 . . . . . . . . 4870 1 888 . 1 1 83 83 ILE H H 1 8.18 0.02 . 1 . . . . . . . . 4870 1 889 . 1 1 83 83 ILE CA C 13 62.2 0.2 . 1 . . . . . . . . 4870 1 890 . 1 1 83 83 ILE HA H 1 4.03 0.02 . 1 . . . . . . . . 4870 1 891 . 1 1 83 83 ILE CB C 13 38.3 0.2 . 1 . . . . . . . . 4870 1 892 . 1 1 83 83 ILE HB H 1 1.97 0.02 . 1 . . . . . . . . 4870 1 893 . 1 1 83 83 ILE HG21 H 1 1.00 0.02 . 1 . . . . . . . . 4870 1 894 . 1 1 83 83 ILE HG22 H 1 1.00 0.02 . 1 . . . . . . . . 4870 1 895 . 1 1 83 83 ILE HG23 H 1 1.00 0.02 . 1 . . . . . . . . 4870 1 896 . 1 1 83 83 ILE CG2 C 13 17.1 0.2 . 1 . . . . . . . . 4870 1 897 . 1 1 83 83 ILE CG1 C 13 27.5 0.2 . 1 . . . . . . . . 4870 1 898 . 1 1 83 83 ILE HG12 H 1 1.26 0.02 . 1 . . . . . . . . 4870 1 899 . 1 1 83 83 ILE HG13 H 1 1.26 0.02 . 1 . . . . . . . . 4870 1 900 . 1 1 83 83 ILE HD11 H 1 0.97 0.02 . 1 . . . . . . . . 4870 1 901 . 1 1 83 83 ILE HD12 H 1 0.97 0.02 . 1 . . . . . . . . 4870 1 902 . 1 1 83 83 ILE HD13 H 1 0.97 0.02 . 1 . . . . . . . . 4870 1 903 . 1 1 83 83 ILE CD1 C 13 12.7 0.2 . 1 . . . . . . . . 4870 1 904 . 1 1 83 83 ILE C C 13 177.3 0.2 . 1 . . . . . . . . 4870 1 905 . 1 1 84 84 GLU N N 15 123.2 0.2 . 1 . . . . . . . . 4870 1 906 . 1 1 84 84 GLU H H 1 8.36 0.02 . 1 . . . . . . . . 4870 1 907 . 1 1 84 84 GLU CA C 13 56.0 0.2 . 1 . . . . . . . . 4870 1 908 . 1 1 84 84 GLU HA H 1 4.27 0.02 . 1 . . . . . . . . 4870 1 909 . 1 1 84 84 GLU CB C 13 28.2 0.2 . 1 . . . . . . . . 4870 1 910 . 1 1 84 84 GLU HB2 H 1 2.12 0.02 . 1 . . . . . . . . 4870 1 911 . 1 1 84 84 GLU HB3 H 1 2.12 0.02 . 1 . . . . . . . . 4870 1 912 . 1 1 84 84 GLU CG C 13 33.0 0.2 . 1 . . . . . . . . 4870 1 913 . 1 1 84 84 GLU HG2 H 1 2.51 0.02 . 1 . . . . . . . . 4870 1 914 . 1 1 84 84 GLU HG3 H 1 2.51 0.02 . 1 . . . . . . . . 4870 1 915 . 1 1 84 84 GLU C C 13 176.7 0.2 . 1 . . . . . . . . 4870 1 916 . 1 1 85 85 ALA N N 15 124.5 0.2 . 1 . . . . . . . . 4870 1 917 . 1 1 85 85 ALA H H 1 8.23 0.02 . 1 . . . . . . . . 4870 1 918 . 1 1 85 85 ALA CA C 13 53.0 0.2 . 1 . . . . . . . . 4870 1 919 . 1 1 85 85 ALA HA H 1 4.24 0.02 . 1 . . . . . . . . 4870 1 920 . 1 1 85 85 ALA HB1 H 1 1.51 0.02 . 1 . . . . . . . . 4870 1 921 . 1 1 85 85 ALA HB2 H 1 1.51 0.02 . 1 . . . . . . . . 4870 1 922 . 1 1 85 85 ALA HB3 H 1 1.51 0.02 . 1 . . . . . . . . 4870 1 923 . 1 1 85 85 ALA CB C 13 18.4 0.2 . 1 . . . . . . . . 4870 1 924 . 1 1 85 85 ALA C C 13 178.7 0.2 . 1 . . . . . . . . 4870 1 925 . 1 1 86 86 LYS N N 15 119.7 0.2 . 1 . . . . . . . . 4870 1 926 . 1 1 86 86 LYS H H 1 8.08 0.02 . 1 . . . . . . . . 4870 1 927 . 1 1 86 86 LYS CA C 13 57.0 0.2 . 1 . . . . . . . . 4870 1 928 . 1 1 86 86 LYS HA H 1 4.18 0.02 . 1 . . . . . . . . 4870 1 929 . 1 1 86 86 LYS CB C 13 32.5 0.2 . 1 . . . . . . . . 4870 1 930 . 1 1 86 86 LYS HB2 H 1 1.90 0.02 . 1 . . . . . . . . 4870 1 931 . 1 1 86 86 LYS HB3 H 1 1.90 0.02 . 1 . . . . . . . . 4870 1 932 . 1 1 86 86 LYS CG C 13 24.7 0.2 . 1 . . . . . . . . 4870 1 933 . 1 1 86 86 LYS HG2 H 1 1.54 0.02 . 4 . . . . . . . . 4870 1 934 . 1 1 86 86 LYS HG3 H 1 1.54 0.02 . 4 . . . . . . . . 4870 1 935 . 1 1 86 86 LYS CD C 13 29.1 0.2 . 1 . . . . . . . . 4870 1 936 . 1 1 86 86 LYS HD2 H 1 1.77 0.02 . 4 . . . . . . . . 4870 1 937 . 1 1 86 86 LYS HD3 H 1 1.77 0.02 . 4 . . . . . . . . 4870 1 938 . 1 1 86 86 LYS CE C 13 41.8 0.2 . 1 . . . . . . . . 4870 1 939 . 1 1 86 86 LYS HE2 H 1 3.04 0.02 . 1 . . . . . . . . 4870 1 940 . 1 1 86 86 LYS HE3 H 1 3.04 0.02 . 1 . . . . . . . . 4870 1 941 . 1 1 86 86 LYS C C 13 177.3 0.2 . 1 . . . . . . . . 4870 1 942 . 1 1 87 87 ALA N N 15 123.8 0.2 . 1 . . . . . . . . 4870 1 943 . 1 1 87 87 ALA H H 1 8.04 0.02 . 1 . . . . . . . . 4870 1 944 . 1 1 87 87 ALA CA C 13 52.6 0.2 . 1 . . . . . . . . 4870 1 945 . 1 1 87 87 ALA HA H 1 4.28 0.02 . 1 . . . . . . . . 4870 1 946 . 1 1 87 87 ALA HB1 H 1 1.49 0.02 . 1 . . . . . . . . 4870 1 947 . 1 1 87 87 ALA HB2 H 1 1.49 0.02 . 1 . . . . . . . . 4870 1 948 . 1 1 87 87 ALA HB3 H 1 1.49 0.02 . 1 . . . . . . . . 4870 1 949 . 1 1 87 87 ALA CB C 13 18.6 0.2 . 1 . . . . . . . . 4870 1 950 . 1 1 87 87 ALA C C 13 178.4 0.2 . 1 . . . . . . . . 4870 1 951 . 1 1 88 88 LEU N N 15 120.7 0.2 . 1 . . . . . . . . 4870 1 952 . 1 1 88 88 LEU H H 1 8.02 0.02 . 1 . . . . . . . . 4870 1 953 . 1 1 88 88 LEU CA C 13 55.6 0.2 . 1 . . . . . . . . 4870 1 954 . 1 1 88 88 LEU HA H 1 4.32 0.02 . 1 . . . . . . . . 4870 1 955 . 1 1 88 88 LEU CB C 13 41.8 0.2 . 1 . . . . . . . . 4870 1 956 . 1 1 88 88 LEU HB2 H 1 1.75 0.02 . 1 . . . . . . . . 4870 1 957 . 1 1 88 88 LEU HB3 H 1 1.75 0.02 . 1 . . . . . . . . 4870 1 958 . 1 1 88 88 LEU CG C 13 26.2 0.2 . 1 . . . . . . . . 4870 1 959 . 1 1 88 88 LEU HG H 1 1.68 0.02 . 1 . . . . . . . . 4870 1 960 . 1 1 88 88 LEU HD11 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 961 . 1 1 88 88 LEU HD12 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 962 . 1 1 88 88 LEU HD13 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 963 . 1 1 88 88 LEU HD21 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 964 . 1 1 88 88 LEU HD22 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 965 . 1 1 88 88 LEU HD23 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 966 . 1 1 88 88 LEU CD1 C 13 24.3 0.2 . 1 . . . . . . . . 4870 1 967 . 1 1 88 88 LEU CD2 C 13 23.1 0.2 . 1 . . . . . . . . 4870 1 968 . 1 1 88 88 LEU C C 13 178.0 0.2 . 1 . . . . . . . . 4870 1 969 . 1 1 89 89 ARG N N 15 121.1 0.2 . 1 . . . . . . . . 4870 1 970 . 1 1 89 89 ARG H H 1 8.13 0.02 . 1 . . . . . . . . 4870 1 971 . 1 1 89 89 ARG CA C 13 56.2 0.2 . 1 . . . . . . . . 4870 1 972 . 1 1 89 89 ARG HA H 1 4.27 0.02 . 1 . . . . . . . . 4870 1 973 . 1 1 89 89 ARG CB C 13 30.2 0.2 . 1 . . . . . . . . 4870 1 974 . 1 1 89 89 ARG HB2 H 1 1.87 0.02 . 1 . . . . . . . . 4870 1 975 . 1 1 89 89 ARG HB3 H 1 1.87 0.02 . 1 . . . . . . . . 4870 1 976 . 1 1 89 89 ARG CG C 13 26.9 0.2 . 1 . . . . . . . . 4870 1 977 . 1 1 89 89 ARG HG2 H 1 1.75 0.02 . 1 . . . . . . . . 4870 1 978 . 1 1 89 89 ARG HG3 H 1 1.75 0.02 . 1 . . . . . . . . 4870 1 979 . 1 1 89 89 ARG CD C 13 43.1 0.2 . 1 . . . . . . . . 4870 1 980 . 1 1 89 89 ARG HD2 H 1 3.22 0.02 . 1 . . . . . . . . 4870 1 981 . 1 1 89 89 ARG HD3 H 1 3.22 0.02 . 1 . . . . . . . . 4870 1 982 . 1 1 89 89 ARG C C 13 176.5 0.2 . 1 . . . . . . . . 4870 1 983 . 1 1 90 90 LYS N N 15 121.9 0.2 . 1 . . . . . . . . 4870 1 984 . 1 1 90 90 LYS H H 1 8.11 0.02 . 1 . . . . . . . . 4870 1 985 . 1 1 90 90 LYS CA C 13 56.2 0.2 . 1 . . . . . . . . 4870 1 986 . 1 1 90 90 LYS HA H 1 4.30 0.02 . 1 . . . . . . . . 4870 1 987 . 1 1 90 90 LYS CB C 13 32.5 0.2 . 1 . . . . . . . . 4870 1 988 . 1 1 90 90 LYS HB2 H 1 1.89 0.02 . 1 . . . . . . . . 4870 1 989 . 1 1 90 90 LYS HB3 H 1 1.89 0.02 . 1 . . . . . . . . 4870 1 990 . 1 1 90 90 LYS CG C 13 24.5 0.2 . 1 . . . . . . . . 4870 1 991 . 1 1 90 90 LYS HG2 H 1 1.49 0.02 . 4 . . . . . . . . 4870 1 992 . 1 1 90 90 LYS HG3 H 1 1.49 0.02 . 4 . . . . . . . . 4870 1 993 . 1 1 90 90 LYS CD C 13 28.8 0.2 . 1 . . . . . . . . 4870 1 994 . 1 1 90 90 LYS HD2 H 1 1.79 0.02 . 4 . . . . . . . . 4870 1 995 . 1 1 90 90 LYS HD3 H 1 1.79 0.02 . 4 . . . . . . . . 4870 1 996 . 1 1 90 90 LYS CE C 13 39.2 0.2 . 1 . . . . . . . . 4870 1 997 . 1 1 90 90 LYS HE2 H 1 3.06 0.02 . 1 . . . . . . . . 4870 1 998 . 1 1 90 90 LYS HE3 H 1 3.06 0.02 . 1 . . . . . . . . 4870 1 999 . 1 1 90 90 LYS C C 13 176.6 0.2 . 1 . . . . . . . . 4870 1 1000 . 1 1 91 91 LEU N N 15 123.1 0.2 . 1 . . . . . . . . 4870 1 1001 . 1 1 91 91 LEU H H 1 8.07 0.02 . 1 . . . . . . . . 4870 1 1002 . 1 1 91 91 LEU CA C 13 54.9 0.2 . 1 . . . . . . . . 4870 1 1003 . 1 1 91 91 LEU HA H 1 4.32 0.02 . 1 . . . . . . . . 4870 1 1004 . 1 1 91 91 LEU CB C 13 42.1 0.2 . 1 . . . . . . . . 4870 1 1005 . 1 1 91 91 LEU HB2 H 1 1.70 0.02 . 1 . . . . . . . . 4870 1 1006 . 1 1 91 91 LEU HB3 H 1 1.70 0.02 . 1 . . . . . . . . 4870 1 1007 . 1 1 91 91 LEU CG C 13 26.9 0.2 . 1 . . . . . . . . 4870 1 1008 . 1 1 91 91 LEU HG H 1 1.65 0.02 . 1 . . . . . . . . 4870 1 1009 . 1 1 91 91 LEU HD11 H 1 0.93 0.02 . 2 . . . . . . . . 4870 1 1010 . 1 1 91 91 LEU HD12 H 1 0.93 0.02 . 2 . . . . . . . . 4870 1 1011 . 1 1 91 91 LEU HD13 H 1 0.93 0.02 . 2 . . . . . . . . 4870 1 1012 . 1 1 91 91 LEU HD21 H 1 1.01 0.02 . 2 . . . . . . . . 4870 1 1013 . 1 1 91 91 LEU HD22 H 1 1.01 0.02 . 2 . . . . . . . . 4870 1 1014 . 1 1 91 91 LEU HD23 H 1 1.01 0.02 . 2 . . . . . . . . 4870 1 1015 . 1 1 91 91 LEU CD1 C 13 24.8 0.2 . 1 . . . . . . . . 4870 1 1016 . 1 1 91 91 LEU CD2 C 13 23.1 0.2 . 1 . . . . . . . . 4870 1 1017 . 1 1 91 91 LEU C C 13 177.2 0.2 . 1 . . . . . . . . 4870 1 1018 . 1 1 92 92 ARG N N 15 121.6 0.2 . 1 . . . . . . . . 4870 1 1019 . 1 1 92 92 ARG H H 1 8.24 0.02 . 1 . . . . . . . . 4870 1 1020 . 1 1 92 92 ARG CA C 13 55.7 0.2 . 1 . . . . . . . . 4870 1 1021 . 1 1 92 92 ARG HA H 1 4.27 0.02 . 1 . . . . . . . . 4870 1 1022 . 1 1 92 92 ARG CB C 13 30.4 0.2 . 1 . . . . . . . . 4870 1 1023 . 1 1 92 92 ARG HB2 H 1 1.80 0.02 . 1 . . . . . . . . 4870 1 1024 . 1 1 92 92 ARG HB3 H 1 1.80 0.02 . 1 . . . . . . . . 4870 1 1025 . 1 1 92 92 ARG CG C 13 27.1 0.2 . 1 . . . . . . . . 4870 1 1026 . 1 1 92 92 ARG HG2 H 1 1.67 0.02 . 1 . . . . . . . . 4870 1 1027 . 1 1 92 92 ARG HG3 H 1 1.67 0.02 . 1 . . . . . . . . 4870 1 1028 . 1 1 92 92 ARG CD C 13 43.0 0.2 . 1 . . . . . . . . 4870 1 1029 . 1 1 92 92 ARG C C 13 176.0 0.2 . 1 . . . . . . . . 4870 1 1030 . 1 1 93 93 HIS N N 15 119.8 0.2 . 1 . . . . . . . . 4870 1 1031 . 1 1 93 93 HIS H H 1 8.48 0.02 . 1 . . . . . . . . 4870 1 1032 . 1 1 93 93 HIS CA C 13 56.2 0.2 . 1 . . . . . . . . 4870 1 1033 . 1 1 93 93 HIS HA H 1 4.98 0.02 . 1 . . . . . . . . 4870 1 1034 . 1 1 93 93 HIS HB2 H 1 3.26 0.02 . 2 . . . . . . . . 4870 1 1035 . 1 1 93 93 HIS HB3 H 1 3.03 0.02 . 2 . . . . . . . . 4870 1 1036 . 1 1 93 93 HIS C C 13 172.4 0.2 . 1 . . . . . . . . 4870 1 1037 . 1 1 94 94 PRO CD C 13 50.4 0.2 . 1 . . . . . . . . 4870 1 1038 . 1 1 94 94 PRO CA C 13 62.9 0.2 . 1 . . . . . . . . 4870 1 1039 . 1 1 94 94 PRO HA H 1 4.50 0.02 . 1 . . . . . . . . 4870 1 1040 . 1 1 94 94 PRO CB C 13 31.9 0.2 . 1 . . . . . . . . 4870 1 1041 . 1 1 94 94 PRO HB2 H 1 2.35 0.02 . 1 . . . . . . . . 4870 1 1042 . 1 1 94 94 PRO HB3 H 1 2.35 0.02 . 1 . . . . . . . . 4870 1 1043 . 1 1 94 94 PRO CG C 13 27.2 0.2 . 1 . . . . . . . . 4870 1 1044 . 1 1 94 94 PRO HG2 H 1 2.03 0.02 . 1 . . . . . . . . 4870 1 1045 . 1 1 94 94 PRO HG3 H 1 2.03 0.02 . 1 . . . . . . . . 4870 1 1046 . 1 1 94 94 PRO HD2 H 1 3.66 0.02 . 1 . . . . . . . . 4870 1 1047 . 1 1 94 94 PRO HD3 H 1 3.66 0.02 . 1 . . . . . . . . 4870 1 1048 . 1 1 94 94 PRO C C 13 177.0 0.2 . 1 . . . . . . . . 4870 1 1049 . 1 1 95 95 SER N N 15 117.0 0.2 . 1 . . . . . . . . 4870 1 1050 . 1 1 95 95 SER H H 1 8.49 0.02 . 1 . . . . . . . . 4870 1 1051 . 1 1 95 95 SER CA C 13 57.7 0.2 . 1 . . . . . . . . 4870 1 1052 . 1 1 95 95 SER HA H 1 4.49 0.02 . 1 . . . . . . . . 4870 1 1053 . 1 1 95 95 SER CB C 13 63.9 0.2 . 1 . . . . . . . . 4870 1 1054 . 1 1 95 95 SER HB2 H 1 3.97 0.02 . 2 . . . . . . . . 4870 1 1055 . 1 1 95 95 SER HB3 H 1 3.91 0.02 . 2 . . . . . . . . 4870 1 1056 . 1 1 95 95 SER C C 13 174.8 0.2 . 1 . . . . . . . . 4870 1 1057 . 1 1 96 96 ARG N N 15 122.9 0.2 . 1 . . . . . . . . 4870 1 1058 . 1 1 96 96 ARG H H 1 8.49 0.02 . 1 . . . . . . . . 4870 1 1059 . 1 1 96 96 ARG CA C 13 56.2 0.2 . 1 . . . . . . . . 4870 1 1060 . 1 1 96 96 ARG HA H 1 4.36 0.02 . 1 . . . . . . . . 4870 1 1061 . 1 1 96 96 ARG CB C 13 30.5 0.2 . 1 . . . . . . . . 4870 1 1062 . 1 1 96 96 ARG HB2 H 1 1.97 0.02 . 2 . . . . . . . . 4870 1 1063 . 1 1 96 96 ARG HB3 H 1 1.86 0.02 . 2 . . . . . . . . 4870 1 1064 . 1 1 96 96 ARG CG C 13 26.8 0.2 . 1 . . . . . . . . 4870 1 1065 . 1 1 96 96 ARG HG2 H 1 1.72 0.02 . 1 . . . . . . . . 4870 1 1066 . 1 1 96 96 ARG HG3 H 1 1.72 0.02 . 1 . . . . . . . . 4870 1 1067 . 1 1 96 96 ARG CD C 13 43.0 0.2 . 1 . . . . . . . . 4870 1 1068 . 1 1 96 96 ARG HD2 H 1 3.22 0.02 . 1 . . . . . . . . 4870 1 1069 . 1 1 96 96 ARG HD3 H 1 3.22 0.02 . 1 . . . . . . . . 4870 1 1070 . 1 1 96 96 ARG C C 13 176.7 0.2 . 1 . . . . . . . . 4870 1 1071 . 1 1 97 97 SER N N 15 116.3 0.2 . 1 . . . . . . . . 4870 1 1072 . 1 1 97 97 SER H H 1 8.33 0.02 . 1 . . . . . . . . 4870 1 1073 . 1 1 97 97 SER CA C 13 58.3 0.2 . 1 . . . . . . . . 4870 1 1074 . 1 1 97 97 SER HA H 1 4.43 0.02 . 1 . . . . . . . . 4870 1 1075 . 1 1 97 97 SER CB C 13 63.2 0.2 . 1 . . . . . . . . 4870 1 1076 . 1 1 97 97 SER HB2 H 1 3.88 0.02 . 1 . . . . . . . . 4870 1 1077 . 1 1 97 97 SER HB3 H 1 3.88 0.02 . 1 . . . . . . . . 4870 1 1078 . 1 1 97 97 SER C C 13 174.8 0.2 . 1 . . . . . . . . 4870 1 1079 . 1 1 98 98 GLU N N 15 122.5 0.2 . 1 . . . . . . . . 4870 1 1080 . 1 1 98 98 GLU H H 1 8.27 0.02 . 1 . . . . . . . . 4870 1 1081 . 1 1 98 98 GLU CA C 13 56.0 0.2 . 1 . . . . . . . . 4870 1 1082 . 1 1 98 98 GLU HA H 1 4.38 0.02 . 1 . . . . . . . . 4870 1 1083 . 1 1 98 98 GLU CB C 13 28.7 0.2 . 1 . . . . . . . . 4870 1 1084 . 1 1 98 98 GLU HB2 H 1 2.16 0.02 . 2 . . . . . . . . 4870 1 1085 . 1 1 98 98 GLU HB3 H 1 2.07 0.02 . 2 . . . . . . . . 4870 1 1086 . 1 1 98 98 GLU CG C 13 33.0 0.2 . 1 . . . . . . . . 4870 1 1087 . 1 1 98 98 GLU HG2 H 1 2.48 0.02 . 1 . . . . . . . . 4870 1 1088 . 1 1 98 98 GLU HG3 H 1 2.48 0.02 . 1 . . . . . . . . 4870 1 1089 . 1 1 98 98 GLU C C 13 176.3 0.2 . 1 . . . . . . . . 4870 1 1090 . 1 1 99 99 VAL N N 15 121.3 0.2 . 1 . . . . . . . . 4870 1 1091 . 1 1 99 99 VAL H H 1 8.09 0.02 . 1 . . . . . . . . 4870 1 1092 . 1 1 99 99 VAL CA C 13 62.4 0.2 . 1 . . . . . . . . 4870 1 1093 . 1 1 99 99 VAL HA H 1 4.04 0.02 . 1 . . . . . . . . 4870 1 1094 . 1 1 99 99 VAL CB C 13 32.4 0.2 . 1 . . . . . . . . 4870 1 1095 . 1 1 99 99 VAL HB H 1 2.12 0.02 . 1 . . . . . . . . 4870 1 1096 . 1 1 99 99 VAL CG1 C 13 20.6 0.2 . 1 . . . . . . . . 4870 1 1097 . 1 1 99 99 VAL HG11 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 1098 . 1 1 99 99 VAL HG12 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 1099 . 1 1 99 99 VAL HG13 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 1100 . 1 1 99 99 VAL HG21 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 1101 . 1 1 99 99 VAL HG22 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 1102 . 1 1 99 99 VAL HG23 H 1 1.02 0.02 . 1 . . . . . . . . 4870 1 1103 . 1 1 99 99 VAL C C 13 176.4 0.2 . 1 . . . . . . . . 4870 1 1104 . 1 1 100 100 LEU N N 15 125.5 0.2 . 1 . . . . . . . . 4870 1 1105 . 1 1 100 100 LEU H H 1 8.22 0.02 . 1 . . . . . . . . 4870 1 1106 . 1 1 100 100 LEU CA C 13 55.1 0.2 . 1 . . . . . . . . 4870 1 1107 . 1 1 100 100 LEU HA H 1 4.35 0.02 . 1 . . . . . . . . 4870 1 1108 . 1 1 100 100 LEU CB C 13 42.0 0.2 . 1 . . . . . . . . 4870 1 1109 . 1 1 100 100 LEU HB2 H 1 1.68 0.02 . 1 . . . . . . . . 4870 1 1110 . 1 1 100 100 LEU HB3 H 1 1.68 0.02 . 1 . . . . . . . . 4870 1 1111 . 1 1 100 100 LEU CG C 13 27.1 0.2 . 1 . . . . . . . . 4870 1 1112 . 1 1 100 100 LEU HG H 1 1.63 0.02 . 1 . . . . . . . . 4870 1 1113 . 1 1 100 100 LEU HD11 H 1 0.94 0.02 . 2 . . . . . . . . 4870 1 1114 . 1 1 100 100 LEU HD12 H 1 0.94 0.02 . 2 . . . . . . . . 4870 1 1115 . 1 1 100 100 LEU HD13 H 1 0.94 0.02 . 2 . . . . . . . . 4870 1 1116 . 1 1 100 100 LEU HD21 H 1 0.97 0.02 . 2 . . . . . . . . 4870 1 1117 . 1 1 100 100 LEU HD22 H 1 0.97 0.02 . 2 . . . . . . . . 4870 1 1118 . 1 1 100 100 LEU HD23 H 1 0.97 0.02 . 2 . . . . . . . . 4870 1 1119 . 1 1 100 100 LEU CD1 C 13 24.8 0.2 . 1 . . . . . . . . 4870 1 1120 . 1 1 100 100 LEU CD2 C 13 23.1 0.2 . 1 . . . . . . . . 4870 1 1121 . 1 1 100 100 LEU C C 13 177.5 0.2 . 1 . . . . . . . . 4870 1 1122 . 1 1 101 101 ARG N N 15 121.6 0.2 . 1 . . . . . . . . 4870 1 1123 . 1 1 101 101 ARG H H 1 8.21 0.02 . 1 . . . . . . . . 4870 1 1124 . 1 1 101 101 ARG CA C 13 56.0 0.2 . 1 . . . . . . . . 4870 1 1125 . 1 1 101 101 ARG HA H 1 4.29 0.02 . 1 . . . . . . . . 4870 1 1126 . 1 1 101 101 ARG CB C 13 30.4 0.2 . 1 . . . . . . . . 4870 1 1127 . 1 1 101 101 ARG HB2 H 1 1.83 0.02 . 1 . . . . . . . . 4870 1 1128 . 1 1 101 101 ARG HB3 H 1 1.83 0.02 . 1 . . . . . . . . 4870 1 1129 . 1 1 101 101 ARG CG C 13 26.8 0.2 . 1 . . . . . . . . 4870 1 1130 . 1 1 101 101 ARG HG2 H 1 1.64 0.02 . 1 . . . . . . . . 4870 1 1131 . 1 1 101 101 ARG HG3 H 1 1.64 0.02 . 1 . . . . . . . . 4870 1 1132 . 1 1 101 101 ARG CD C 13 42.9 0.2 . 1 . . . . . . . . 4870 1 1133 . 1 1 101 101 ARG HD2 H 1 3.21 0.02 . 1 . . . . . . . . 4870 1 1134 . 1 1 101 101 ARG HD3 H 1 3.21 0.02 . 1 . . . . . . . . 4870 1 1135 . 1 1 101 101 ARG C C 13 176.3 0.2 . 1 . . . . . . . . 4870 1 1136 . 1 1 102 102 SER N N 15 116.2 0.2 . 1 . . . . . . . . 4870 1 1137 . 1 1 102 102 SER H H 1 8.12 0.02 . 1 . . . . . . . . 4870 1 1138 . 1 1 102 102 SER CA C 13 57.9 0.2 . 1 . . . . . . . . 4870 1 1139 . 1 1 102 102 SER HA H 1 4.39 0.02 . 1 . . . . . . . . 4870 1 1140 . 1 1 102 102 SER CB C 13 63.4 0.2 . 1 . . . . . . . . 4870 1 1141 . 1 1 102 102 SER HB2 H 1 3.83 0.02 . 2 . . . . . . . . 4870 1 1142 . 1 1 102 102 SER HB3 H 1 3.78 0.02 . 2 . . . . . . . . 4870 1 1143 . 1 1 102 102 SER C C 13 174.5 0.2 . 1 . . . . . . . . 4870 1 1144 . 1 1 103 103 PHE N N 15 121.8 0.2 . 1 . . . . . . . . 4870 1 1145 . 1 1 103 103 PHE H H 1 8.14 0.02 . 1 . . . . . . . . 4870 1 1146 . 1 1 103 103 PHE CA C 13 57.5 0.2 . 1 . . . . . . . . 4870 1 1147 . 1 1 103 103 PHE HA H 1 4.64 0.02 . 1 . . . . . . . . 4870 1 1148 . 1 1 103 103 PHE CB C 13 39.0 0.2 . 1 . . . . . . . . 4870 1 1149 . 1 1 103 103 PHE HB2 H 1 3.22 0.02 . 2 . . . . . . . . 4870 1 1150 . 1 1 103 103 PHE HB3 H 1 3.08 0.02 . 2 . . . . . . . . 4870 1 1151 . 1 1 103 103 PHE C C 13 175.7 0.2 . 1 . . . . . . . . 4870 1 1152 . 1 1 104 104 LEU N N 15 122.2 0.2 . 1 . . . . . . . . 4870 1 1153 . 1 1 104 104 LEU H H 1 8.00 0.02 . 1 . . . . . . . . 4870 1 1154 . 1 1 104 104 LEU CA C 13 54.9 0.2 . 1 . . . . . . . . 4870 1 1155 . 1 1 104 104 LEU HA H 1 4.31 0.02 . 1 . . . . . . . . 4870 1 1156 . 1 1 104 104 LEU CB C 13 42.1 0.2 . 1 . . . . . . . . 4870 1 1157 . 1 1 104 104 LEU HB2 H 1 1.62 0.02 . 1 . . . . . . . . 4870 1 1158 . 1 1 104 104 LEU HB3 H 1 1.62 0.02 . 1 . . . . . . . . 4870 1 1159 . 1 1 104 104 LEU CG C 13 26.9 0.2 . 1 . . . . . . . . 4870 1 1160 . 1 1 104 104 LEU HG H 1 1.60 0.02 . 1 . . . . . . . . 4870 1 1161 . 1 1 104 104 LEU HD11 H 1 0.92 0.02 . 2 . . . . . . . . 4870 1 1162 . 1 1 104 104 LEU HD12 H 1 0.92 0.02 . 2 . . . . . . . . 4870 1 1163 . 1 1 104 104 LEU HD13 H 1 0.92 0.02 . 2 . . . . . . . . 4870 1 1164 . 1 1 104 104 LEU HD21 H 1 0.97 0.02 . 2 . . . . . . . . 4870 1 1165 . 1 1 104 104 LEU HD22 H 1 0.97 0.02 . 2 . . . . . . . . 4870 1 1166 . 1 1 104 104 LEU HD23 H 1 0.97 0.02 . 2 . . . . . . . . 4870 1 1167 . 1 1 104 104 LEU CD1 C 13 24.5 0.2 . 1 . . . . . . . . 4870 1 1168 . 1 1 104 104 LEU CD2 C 13 23.4 0.2 . 1 . . . . . . . . 4870 1 1169 . 1 1 104 104 LEU C C 13 176.9 0.2 . 1 . . . . . . . . 4870 1 1170 . 1 1 105 105 ASP N N 15 119.3 0.2 . 1 . . . . . . . . 4870 1 1171 . 1 1 105 105 ASP H H 1 8.23 0.02 . 1 . . . . . . . . 4870 1 1172 . 1 1 105 105 ASP CA C 13 52.6 0.2 . 1 . . . . . . . . 4870 1 1173 . 1 1 105 105 ASP HA H 1 4.71 0.02 . 1 . . . . . . . . 4870 1 1174 . 1 1 105 105 ASP CB C 13 38.0 0.2 . 1 . . . . . . . . 4870 1 1175 . 1 1 105 105 ASP HB2 H 1 2.98 0.02 . 2 . . . . . . . . 4870 1 1176 . 1 1 105 105 ASP HB3 H 1 2.83 0.02 . 2 . . . . . . . . 4870 1 1177 . 1 1 105 105 ASP C C 13 174.5 0.2 . 1 . . . . . . . . 4870 1 1178 . 1 1 106 106 ASP N N 15 121.5 0.2 . 1 . . . . . . . . 4870 1 1179 . 1 1 106 106 ASP H H 1 8.00 0.02 . 1 . . . . . . . . 4870 1 1180 . 1 1 106 106 ASP CA C 13 52.6 0.2 . 1 . . . . . . . . 4870 1 1181 . 1 1 106 106 ASP CB C 13 38.5 0.2 . 1 . . . . . . . . 4870 1 1182 . 1 1 106 106 ASP C C 13 178.0 0.2 . 1 . . . . . . . . 4870 1 stop_ save_ save_shift_set_25_minor_isoform _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_25_minor_isoform _Assigned_chem_shift_list.Entry_ID 4870 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; 23 ELPL fragment of minor conformational species exhibiting cis Leu-Pro peptide bond has been additionally assigned. M1 is deleted in the expression system and in consequence at low pH G2 is protonated and exhibits unusual chemical shifts of N Arginine, Leucine and Glutamine in fragments 34LR, 54RMR, 67LEE, 78RER, 81RQ, 89LR, 92LR, 99EV, 101LR are ambiguously placed in the sequence. The most probable assignment is given, but in most cases L,R,E assignment could be flopped. ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4870 2 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 22 22 GLU CA C 13 55.0 0.2 . 1 . . . . . . . . 4870 2 2 . 1 1 22 22 GLU HA H 1 4.40 0.02 . 1 . . . . . . . . 4870 2 3 . 1 1 22 22 GLU CB C 13 28.9 0.2 . 1 . . . . . . . . 4870 2 4 . 1 1 22 22 GLU CG C 13 32.6 0.2 . 1 . . . . . . . . 4870 2 5 . 1 1 22 22 GLU HG2 H 1 2.46 0.02 . 1 . . . . . . . . 4870 2 6 . 1 1 22 22 GLU HG3 H 1 2.46 0.02 . 1 . . . . . . . . 4870 2 7 . 1 1 22 22 GLU C C 13 174.4 0.2 . 1 . . . . . . . . 4870 2 8 . 1 1 23 23 LEU N N 15 122.7 0.2 . 1 . . . . . . . . 4870 2 9 . 1 1 23 23 LEU H H 1 7.93 0.02 . 1 . . . . . . . . 4870 2 10 . 1 1 23 23 LEU CA C 13 52.2 0.2 . 1 . . . . . . . . 4870 2 11 . 1 1 23 23 LEU CB C 13 42.5 0.2 . 1 . . . . . . . . 4870 2 12 . 1 1 23 23 LEU C C 13 175.5 0.2 . 1 . . . . . . . . 4870 2 13 . 1 1 24 24 PRO CD C 13 50.0 0.2 . 1 . . . . . . . . 4870 2 14 . 1 1 24 24 PRO CA C 13 62.1 0.2 . 1 . . . . . . . . 4870 2 15 . 1 1 24 24 PRO HA H 1 4.53 0.2 . 1 . . . . . . . . 4870 2 16 . 1 1 24 24 PRO CB C 13 34.3 0.2 . 1 . . . . . . . . 4870 2 17 . 1 1 24 24 PRO HB2 H 1 2.42 0.02 . 2 . . . . . . . . 4870 2 18 . 1 1 24 24 PRO HB3 H 1 1.95 0.02 . 2 . . . . . . . . 4870 2 19 . 1 1 24 24 PRO CG C 13 24.4 0.2 . 1 . . . . . . . . 4870 2 20 . 1 1 24 24 PRO HG2 H 1 2.21 0.02 . 1 . . . . . . . . 4870 2 21 . 1 1 24 24 PRO HG3 H 1 2.21 0.02 . 1 . . . . . . . . 4870 2 22 . 1 1 24 24 PRO C C 13 176.3 0.2 . 1 . . . . . . . . 4870 2 23 . 1 1 25 25 LEU N N 15 122.0 0.2 . 1 . . . . . . . . 4870 2 24 . 1 1 25 25 LEU H H 1 8.55 0.02 . 1 . . . . . . . . 4870 2 25 . 1 1 25 25 LEU CA C 13 55.2 0.2 . 1 . . . . . . . . 4870 2 26 . 1 1 25 25 LEU HA H 1 4.34 0.02 . 1 . . . . . . . . 4870 2 27 . 1 1 25 25 LEU CB C 13 42.4 0.2 . 1 . . . . . . . . 4870 2 28 . 1 1 25 25 LEU HB2 H 1 1.63 0.02 . 1 . . . . . . . . 4870 2 29 . 1 1 25 25 LEU HB3 H 1 1.63 0.02 . 1 . . . . . . . . 4870 2 30 . 1 1 25 25 LEU CG C 13 26.7 0.2 . 1 . . . . . . . . 4870 2 31 . 1 1 25 25 LEU HG H 1 1.00 0.02 . 1 . . . . . . . . 4870 2 32 . 1 1 25 25 LEU HD11 H 1 0.93 0.02 . 2 . . . . . . . . 4870 2 33 . 1 1 25 25 LEU HD12 H 1 0.93 0.02 . 2 . . . . . . . . 4870 2 34 . 1 1 25 25 LEU HD13 H 1 0.93 0.02 . 2 . . . . . . . . 4870 2 35 . 1 1 25 25 LEU HD21 H 1 0.92 0.02 . 2 . . . . . . . . 4870 2 36 . 1 1 25 25 LEU HD22 H 1 0.92 0.02 . 2 . . . . . . . . 4870 2 37 . 1 1 25 25 LEU HD23 H 1 0.92 0.02 . 2 . . . . . . . . 4870 2 38 . 1 1 25 25 LEU CD1 C 13 24.3 0.2 . 1 . . . . . . . . 4870 2 39 . 1 1 25 25 LEU CD2 C 13 23.4 0.2 . 1 . . . . . . . . 4870 2 40 . 1 1 25 25 LEU C C 13 176.4 0.2 . 1 . . . . . . . . 4870 2 41 . 1 1 26 26 ASP N N 15 118.8 0.2 . 1 . . . . . . . . 4870 2 42 . 1 1 26 26 ASP H H 1 7.75 0.02 . 1 . . . . . . . . 4870 2 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants_set_1 _Coupling_constant_list.Entry_ID 4870 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 500 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 4870 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 2 2 SER H H 1 . . 1 1 2 2 SER HA H 1 . 4.33 . . 0.3 . . . . . . . . . . . 4870 1 2 3JHNHA . 1 1 3 3 SER H H 1 . . 1 1 3 3 SER HA H 1 . 6.14 . . 0.3 . . . . . . . . . . . 4870 1 3 3JHNHA . 1 1 4 4 HIS H H 1 . . 1 1 4 4 HIS HA H 1 . 6.85 . . 0.3 . . . . . . . . . . . 4870 1 4 3JHNHA . 1 1 5 5 HIS H H 1 . . 1 1 5 5 HIS HA H 1 . 5.39 . . 0.3 . . . . . . . . . . . 4870 1 5 3JHNHA . 1 1 6 6 HIS H H 1 . . 1 1 6 6 HIS HA H 1 . 5.53 . . 0.3 . . . . . . . . . . . 4870 1 6 3JHNHA . 1 1 7 7 HIS H H 1 . . 1 1 7 7 HIS HA H 1 . 5.70 . . 0.3 . . . . . . . . . . . 4870 1 7 3JHNHA . 1 1 8 8 HIS H H 1 . . 1 1 8 8 HIS HA H 1 . 5.99 . . 0.3 . . . . . . . . . . . 4870 1 8 3JHNHA . 1 1 9 9 HIS H H 1 . . 1 1 9 9 HIS HA H 1 . 4.74 . . 0.3 . . . . . . . . . . . 4870 1 9 3JHNHA . 1 1 10 10 SER H H 1 . . 1 1 10 10 SER HA H 1 . 5.91 . . 0.3 . . . . . . . . . . . 4870 1 10 3JHNHA . 1 1 13 13 LEU H H 1 . . 1 1 13 13 LEU HA H 1 . 6.20 . . 0.3 . . . . . . . . . . . 4870 1 11 3JHNHA . 1 1 16 16 ARG H H 1 . . 1 1 16 16 ARG HA H 1 . 4.59 . . 0.3 . . . . . . . . . . . 4870 1 12 3JHNHA . 1 1 18 18 SER H H 1 . . 1 1 18 18 SER HA H 1 . 5.36 . . 0.3 . . . . . . . . . . . 4870 1 13 3JHNHA . 1 1 19 19 HIS H H 1 . . 1 1 19 19 HIS HA H 1 . 5.11 . . 0.3 . . . . . . . . . . . 4870 1 14 3JHNHA . 1 1 20 20 MET H H 1 . . 1 1 20 20 MET HA H 1 . 5.59 . . 0.3 . . . . . . . . . . . 4870 1 15 3JHNHA . 1 1 23 23 LEU H H 1 . . 1 1 23 23 LEU HA H 1 . 4.05 . . 0.3 . . . . . . . . . . . 4870 1 16 3JHNHA . 1 1 26 26 ASP H H 1 . . 1 1 26 26 ASP HA H 1 . 5.75 . . 0.3 . . . . . . . . . . . 4870 1 17 3JHNHA . 1 1 27 27 SER H H 1 . . 1 1 27 27 SER HA H 1 . 5.55 . . 0.3 . . . . . . . . . . . 4870 1 18 3JHNHA . 1 1 29 29 THR H H 1 . . 1 1 29 29 THR HA H 1 . 6.43 . . 0.3 . . . . . . . . . . . 4870 1 19 3JHNHA . 1 1 30 30 THR H H 1 . . 1 1 30 30 THR HA H 1 . 5.10 . . 0.3 . . . . . . . . . . . 4870 1 20 3JHNHA . 1 1 31 31 GLU H H 1 . . 1 1 31 31 GLU HA H 1 . 6.00 . . 0.3 . . . . . . . . . . . 4870 1 21 3JHNHA . 1 1 32 32 SER H H 1 . . 1 1 32 32 SER HA H 1 . 4.19 . . 0.3 . . . . . . . . . . . 4870 1 22 3JHNHA . 1 1 33 33 LEU H H 1 . . 1 1 33 33 LEU HA H 1 . 4.41 . . 0.3 . . . . . . . . . . . 4870 1 23 3JHNHA . 1 1 34 34 ARG H H 1 . . 1 1 34 34 ARG HA H 1 . 4.81 . . 0.3 . . . . . . . . . . . 4870 1 24 3JHNHA . 1 1 35 35 ALA H H 1 . . 1 1 35 35 ALA HA H 1 . 3.99 . . 0.3 . . . . . . . . . . . 4870 1 25 3JHNHA . 1 1 36 36 ALA H H 1 . . 1 1 36 36 ALA HA H 1 . 4.07 . . 0.3 . . . . . . . . . . . 4870 1 26 3JHNHA . 1 1 37 37 THR H H 1 . . 1 1 37 37 THR HA H 1 . 5.72 . . 0.3 . . . . . . . . . . . 4870 1 27 3JHNHA . 1 1 38 38 HIS H H 1 . . 1 1 38 38 HIS HA H 1 . 5.25 . . 0.3 . . . . . . . . . . . 4870 1 28 3JHNHA . 1 1 39 39 ASP H H 1 . . 1 1 39 39 ASP HA H 1 . 5.06 . . 0.3 . . . . . . . . . . . 4870 1 29 3JHNHA . 1 1 41 41 LEU H H 1 . . 1 1 41 41 LEU HA H 1 . 5.06 . . 0.3 . . . . . . . . . . . 4870 1 30 3JHNHA . 1 1 42 42 ALA H H 1 . . 1 1 42 42 ALA HA H 1 . 5.53 . . 0.3 . . . . . . . . . . . 4870 1 31 3JHNHA . 1 1 46 46 ALA H H 1 . . 1 1 46 46 ALA HA H 1 . 5.44 . . 0.3 . . . . . . . . . . . 4870 1 32 3JHNHA . 1 1 47 47 ARG H H 1 . . 1 1 47 47 ARG HA H 1 . 3.36 . . 0.3 . . . . . . . . . . . 4870 1 33 3JHNHA . 1 1 48 48 GLU H H 1 . . 1 1 48 48 GLU HA H 1 . 4.02 . . 0.3 . . . . . . . . . . . 4870 1 34 3JHNHA . 1 1 50 50 LYS H H 1 . . 1 1 50 50 LYS HA H 1 . 3.60 . . 0.3 . . . . . . . . . . . 4870 1 35 3JHNHA . 1 1 51 51 VAL H H 1 . . 1 1 51 51 VAL HA H 1 . 4.19 . . 0.3 . . . . . . . . . . . 4870 1 36 3JHNHA . 1 1 52 52 LEU H H 1 . . 1 1 52 52 LEU HA H 1 . 4.86 . . 0.3 . . . . . . . . . . . 4870 1 37 3JHNHA . 1 1 53 53 ARG H H 1 . . 1 1 53 53 ARG HA H 1 . 4.48 . . 0.3 . . . . . . . . . . . 4870 1 38 3JHNHA . 1 1 59 59 ASP H H 1 . . 1 1 59 59 ASP HA H 1 . 5.73 . . 0.3 . . . . . . . . . . . 4870 1 39 3JHNHA . 1 1 60 60 MET H H 1 . . 1 1 60 60 MET HA H 1 . 5.52 . . 0.3 . . . . . . . . . . . 4870 1 40 3JHNHA . 1 1 61 61 ASN H H 1 . . 1 1 61 61 ASN HA H 1 . 5.29 . . 0.3 . . . . . . . . . . . 4870 1 41 3JHNHA . 1 1 62 62 THR H H 1 . . 1 1 62 62 THR HA H 1 . 5.41 . . 0.3 . . . . . . . . . . . 4870 1 42 3JHNHA . 1 1 63 63 ASP H H 1 . . 1 1 63 63 ASP HA H 1 . 6.17 . . 0.3 . . . . . . . . . . . 4870 1 43 3JHNHA . 1 1 66 66 LEU H H 1 . . 1 1 66 66 LEU HA H 1 . 5.10 . . 0.3 . . . . . . . . . . . 4870 1 44 3JHNHA . 1 1 67 67 GLU H H 1 . . 1 1 67 67 GLU HA H 1 . 4.84 . . 0.3 . . . . . . . . . . . 4870 1 45 3JHNHA . 1 1 73 73 PHE H H 1 . . 1 1 73 73 PHE HA H 1 . 5.27 . . 0.3 . . . . . . . . . . . 4870 1 46 3JHNHA . 1 1 74 74 ASP H H 1 . . 1 1 74 74 ASP HA H 1 . 3.60 . . 0.3 . . . . . . . . . . . 4870 1 47 3JHNHA . 1 1 75 75 VAL H H 1 . . 1 1 75 75 VAL HA H 1 . 5.15 . . 0.3 . . . . . . . . . . . 4870 1 48 3JHNHA . 1 1 77 77 ARG H H 1 . . 1 1 77 77 ARG HA H 1 . 4.49 . . 0.3 . . . . . . . . . . . 4870 1 49 3JHNHA . 1 1 78 78 GLU H H 1 . . 1 1 78 78 GLU HA H 1 . 3.95 . . 0.3 . . . . . . . . . . . 4870 1 50 3JHNHA . 1 1 82 82 GLN H H 1 . . 1 1 82 82 GLN HA H 1 . 4.74 . . 0.3 . . . . . . . . . . . 4870 1 51 3JHNHA . 1 1 85 85 ALA H H 1 . . 1 1 85 85 ALA HA H 1 . 3.84 . . 0.3 . . . . . . . . . . . 4870 1 52 3JHNHA . 1 1 86 86 LYS H H 1 . . 1 1 86 86 LYS HA H 1 . 3.44 . . 0.3 . . . . . . . . . . . 4870 1 53 3JHNHA . 1 1 87 87 ALA H H 1 . . 1 1 87 87 ALA HA H 1 . 4.50 . . 0.3 . . . . . . . . . . . 4870 1 54 3JHNHA . 1 1 88 88 LEU H H 1 . . 1 1 88 88 LEU HA H 1 . 3.77 . . 0.3 . . . . . . . . . . . 4870 1 55 3JHNHA . 1 1 89 89 ARG H H 1 . . 1 1 89 89 ARG HA H 1 . 4.84 . . 0.3 . . . . . . . . . . . 4870 1 56 3JHNHA . 1 1 90 90 LYS H H 1 . . 1 1 90 90 LYS HA H 1 . 4.73 . . 0.3 . . . . . . . . . . . 4870 1 57 3JHNHA . 1 1 92 92 ARG H H 1 . . 1 1 92 92 ARG HA H 1 . 5.29 . . 0.3 . . . . . . . . . . . 4870 1 58 3JHNHA . 1 1 96 96 ARG H H 1 . . 1 1 96 96 ARG HA H 1 . 4.98 . . 0.3 . . . . . . . . . . . 4870 1 59 3JHNHA . 1 1 97 97 SER H H 1 . . 1 1 97 97 SER HA H 1 . 4.44 . . 0.3 . . . . . . . . . . . 4870 1 60 3JHNHA . 1 1 98 98 GLU H H 1 . . 1 1 98 98 GLU HA H 1 . 4.65 . . 0.3 . . . . . . . . . . . 4870 1 61 3JHNHA . 1 1 99 99 VAL H H 1 . . 1 1 99 99 VAL HA H 1 . 6.50 . . 0.3 . . . . . . . . . . . 4870 1 62 3JHNHA . 1 1 100 100 LEU H H 1 . . 1 1 100 100 LEU HA H 1 . 5.37 . . 0.3 . . . . . . . . . . . 4870 1 63 3JHNHA . 1 1 101 101 ARG H H 1 . . 1 1 101 101 ARG HA H 1 . 5.00 . . 0.3 . . . . . . . . . . . 4870 1 64 3JHNHA . 1 1 103 103 PHE H H 1 . . 1 1 103 103 PHE HA H 1 . 4.64 . . 0.3 . . . . . . . . . . . 4870 1 65 3JHNHA . 1 1 105 105 ASP H H 1 . . 1 1 105 105 ASP HA H 1 . 5.33 . . 0.3 . . . . . . . . . . . 4870 1 66 3JHNHA . 1 1 106 106 ASP H H 1 . . 1 1 106 106 ASP HA H 1 . 6.11 . . 0.3 . . . . . . . . . . . 4870 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_set_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_set_1 _Heteronucl_NOE_list.Entry_ID 4870 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $cond_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type . _Heteronucl_NOE_list.NOE_ref_val . _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID . . 1 $sample_1 . 4870 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 2 2 SER N N 15 . 1 1 2 2 SER H H 1 -2.90 0.07 . . . . . . . . . . 4870 1 2 . 1 1 3 3 SER N N 15 . 1 1 3 3 SER H H 1 -2.11 0.05 . . . . . . . . . . 4870 1 3 . 1 1 4 4 HIS N N 15 . 1 1 4 4 HIS H H 1 -2.58 0.05 . . . . . . . . . . 4870 1 4 . 1 1 5 5 HIS N N 15 . 1 1 5 5 HIS H H 1 -1.95 0.05 . . . . . . . . . . 4870 1 5 . 1 1 6 6 HIS N N 15 . 1 1 6 6 HIS H H 1 -2.17 0.04 . . . . . . . . . . 4870 1 6 . 1 1 7 7 HIS N N 15 . 1 1 7 7 HIS H H 1 -1.52 0.06 . . . . . . . . . . 4870 1 7 . 1 1 8 8 HIS N N 15 . 1 1 8 8 HIS H H 1 -1.32 0.08 . . . . . . . . . . 4870 1 8 . 1 1 9 9 HIS N N 15 . 1 1 9 9 HIS H H 1 -1.21 0.09 . . . . . . . . . . 4870 1 9 . 1 1 10 10 SER N N 15 . 1 1 10 10 SER H H 1 -1.33 0.05 . . . . . . . . . . 4870 1 10 . 1 1 11 11 SER N N 15 . 1 1 11 11 SER H H 1 -1.29 0.08 . . . . . . . . . . 4870 1 11 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 -0.97 0.07 . . . . . . . . . . 4870 1 12 . 1 1 14 14 VAL N N 15 . 1 1 14 14 VAL H H 1 -1.10 0.08 . . . . . . . . . . 4870 1 13 . 1 1 16 16 ARG N N 15 . 1 1 16 16 ARG H H 1 -0.76 0.04 . . . . . . . . . . 4870 1 14 . 1 1 17 17 GLY N N 15 . 1 1 17 17 GLY H H 1 -0.84 0.04 . . . . . . . . . . 4870 1 15 . 1 1 18 18 SER N N 15 . 1 1 18 18 SER H H 1 -0.86 0.12 . . . . . . . . . . 4870 1 16 . 1 1 19 19 HIS N N 15 . 1 1 19 19 HIS H H 1 -1.00 0.09 . . . . . . . . . . 4870 1 17 . 1 1 20 20 MET N N 15 . 1 1 20 20 MET H H 1 -0.67 0.07 . . . . . . . . . . 4870 1 18 . 1 1 21 21 LEU N N 15 . 1 1 21 21 LEU H H 1 -0.68 0.05 . . . . . . . . . . 4870 1 19 . 1 1 22 22 GLU N N 15 . 1 1 22 22 GLU H H 1 -0.70 0.03 . . . . . . . . . . 4870 1 20 . 1 1 23 23 LEU N N 15 . 1 1 23 23 LEU H H 1 -0.71 0.03 . . . . . . . . . . 4870 1 21 . 1 1 25 25 LEU N N 15 . 1 1 25 25 LEU H H 1 -0.42 0.12 . . . . . . . . . . 4870 1 22 . 1 1 26 26 ASP N N 15 . 1 1 26 26 ASP H H 1 -0.46 0.06 . . . . . . . . . . 4870 1 23 . 1 1 27 27 SER N N 15 . 1 1 27 27 SER H H 1 -0.60 0.05 . . . . . . . . . . 4870 1 24 . 1 1 28 28 ALA N N 15 . 1 1 28 28 ALA H H 1 -0.36 0.06 . . . . . . . . . . 4870 1 25 . 1 1 29 29 THR N N 15 . 1 1 29 29 THR H H 1 -0.36 0.06 . . . . . . . . . . 4870 1 26 . 1 1 30 30 THR N N 15 . 1 1 30 30 THR H H 1 -0.50 0.04 . . . . . . . . . . 4870 1 27 . 1 1 31 31 GLU N N 15 . 1 1 31 31 GLU H H 1 -0.47 0.05 . . . . . . . . . . 4870 1 28 . 1 1 32 32 SER N N 15 . 1 1 32 32 SER H H 1 -0.42 0.12 . . . . . . . . . . 4870 1 29 . 1 1 33 33 LEU N N 15 . 1 1 33 33 LEU H H 1 -0.44 0.09 . . . . . . . . . . 4870 1 30 . 1 1 34 34 ARG N N 15 . 1 1 34 34 ARG H H 1 -0.50 0.11 . . . . . . . . . . 4870 1 31 . 1 1 36 36 ALA N N 15 . 1 1 36 36 ALA H H 1 -0.50 0.06 . . . . . . . . . . 4870 1 32 . 1 1 37 37 THR N N 15 . 1 1 37 37 THR H H 1 -0.51 0.14 . . . . . . . . . . 4870 1 33 . 1 1 38 38 HIS N N 15 . 1 1 38 38 HIS H H 1 -0.29 0.08 . . . . . . . . . . 4870 1 34 . 1 1 39 39 ASP N N 15 . 1 1 39 39 ASP H H 1 -0.36 0.08 . . . . . . . . . . 4870 1 35 . 1 1 40 40 VAL N N 15 . 1 1 40 40 VAL H H 1 -0.38 0.05 . . . . . . . . . . 4870 1 36 . 1 1 41 41 LEU N N 15 . 1 1 41 41 LEU H H 1 -0.50 0.15 . . . . . . . . . . 4870 1 37 . 1 1 42 42 ALA N N 15 . 1 1 42 42 ALA H H 1 -0.41 0.10 . . . . . . . . . . 4870 1 38 . 1 1 43 43 GLY N N 15 . 1 1 43 43 GLY H H 1 -0.25 0.05 . . . . . . . . . . 4870 1 39 . 1 1 44 44 LEU N N 15 . 1 1 44 44 LEU H H 1 -0.26 0.06 . . . . . . . . . . 4870 1 40 . 1 1 45 45 THR N N 15 . 1 1 45 45 THR H H 1 0.00 0.08 . . . . . . . . . . 4870 1 41 . 1 1 46 46 ALA N N 15 . 1 1 46 46 ALA H H 1 -0.08 0.07 . . . . . . . . . . 4870 1 42 . 1 1 47 47 ARG N N 15 . 1 1 47 47 ARG H H 1 0.09 0.08 . . . . . . . . . . 4870 1 43 . 1 1 48 48 GLU N N 15 . 1 1 48 48 GLU H H 1 -0.12 0.11 . . . . . . . . . . 4870 1 44 . 1 1 49 49 ALA N N 15 . 1 1 49 49 ALA H H 1 0.09 0.09 . . . . . . . . . . 4870 1 45 . 1 1 50 50 LYS N N 15 . 1 1 50 50 LYS H H 1 0.12 0.05 . . . . . . . . . . 4870 1 46 . 1 1 51 51 VAL N N 15 . 1 1 51 51 VAL H H 1 0.14 0.05 . . . . . . . . . . 4870 1 47 . 1 1 52 52 LEU N N 15 . 1 1 52 52 LEU H H 1 0.02 0.04 . . . . . . . . . . 4870 1 48 . 1 1 53 53 ARG N N 15 . 1 1 53 53 ARG H H 1 0.04 0.00 . . . . . . . . . . 4870 1 49 . 1 1 54 54 MET N N 15 . 1 1 54 54 MET H H 1 -0.06 0.09 . . . . . . . . . . 4870 1 50 . 1 1 55 55 ARG N N 15 . 1 1 55 55 ARG H H 1 -0.06 0.09 . . . . . . . . . . 4870 1 51 . 1 1 56 56 PHE N N 15 . 1 1 56 56 PHE H H 1 -0.05 0.13 . . . . . . . . . . 4870 1 52 . 1 1 57 57 GLY N N 15 . 1 1 57 57 GLY H H 1 -0.17 0.05 . . . . . . . . . . 4870 1 53 . 1 1 58 58 ILE N N 15 . 1 1 58 58 ILE H H 1 -0.08 0.04 . . . . . . . . . . 4870 1 54 . 1 1 59 59 ASP N N 15 . 1 1 59 59 ASP H H 1 -0.21 0.05 . . . . . . . . . . 4870 1 55 . 1 1 60 60 MET N N 15 . 1 1 60 60 MET H H 1 -0.11 0.04 . . . . . . . . . . 4870 1 56 . 1 1 61 61 ASN N N 15 . 1 1 61 61 ASN H H 1 0.05 0.05 . . . . . . . . . . 4870 1 57 . 1 1 62 62 THR N N 15 . 1 1 62 62 THR H H 1 0.02 0.11 . . . . . . . . . . 4870 1 58 . 1 1 63 63 ASP N N 15 . 1 1 63 63 ASP H H 1 0.07 0.12 . . . . . . . . . . 4870 1 59 . 1 1 64 64 TYR N N 15 . 1 1 64 64 TYR H H 1 -0.05 0.13 . . . . . . . . . . 4870 1 60 . 1 1 65 65 THR N N 15 . 1 1 65 65 THR H H 1 0.12 0.08 . . . . . . . . . . 4870 1 61 . 1 1 66 66 LEU N N 15 . 1 1 66 66 LEU H H 1 0.12 0.09 . . . . . . . . . . 4870 1 62 . 1 1 67 67 GLU N N 15 . 1 1 67 67 GLU H H 1 0.00 0.05 . . . . . . . . . . 4870 1 63 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 -0.08 0.08 . . . . . . . . . . 4870 1 64 . 1 1 69 69 VAL N N 15 . 1 1 69 69 VAL H H 1 -0.01 0.08 . . . . . . . . . . 4870 1 65 . 1 1 70 70 GLY N N 15 . 1 1 70 70 GLY H H 1 -0.02 0.05 . . . . . . . . . . 4870 1 66 . 1 1 71 71 LYS N N 15 . 1 1 71 71 LYS H H 1 -0.06 0.09 . . . . . . . . . . 4870 1 67 . 1 1 72 72 GLN N N 15 . 1 1 72 72 GLN H H 1 -0.02 0.10 . . . . . . . . . . 4870 1 68 . 1 1 74 74 ASP N N 15 . 1 1 74 74 ASP H H 1 -0.04 0.05 . . . . . . . . . . 4870 1 69 . 1 1 75 75 VAL N N 15 . 1 1 75 75 VAL H H 1 -0.06 0.09 . . . . . . . . . . 4870 1 70 . 1 1 76 76 THR N N 15 . 1 1 76 76 THR H H 1 0.03 0.10 . . . . . . . . . . 4870 1 71 . 1 1 77 77 ARG N N 15 . 1 1 77 77 ARG H H 1 0.03 0.06 . . . . . . . . . . 4870 1 72 . 1 1 80 80 ILE N N 15 . 1 1 80 80 ILE H H 1 0.15 0.03 . . . . . . . . . . 4870 1 73 . 1 1 81 81 ARG N N 15 . 1 1 81 81 ARG H H 1 0.21 0.04 . . . . . . . . . . 4870 1 74 . 1 1 83 83 ILE N N 15 . 1 1 83 83 ILE H H 1 -0.11 0.10 . . . . . . . . . . 4870 1 75 . 1 1 84 84 GLU N N 15 . 1 1 84 84 GLU H H 1 0.06 0.06 . . . . . . . . . . 4870 1 76 . 1 1 85 85 ALA N N 15 . 1 1 85 85 ALA H H 1 0.01 0.05 . . . . . . . . . . 4870 1 77 . 1 1 86 86 LYS N N 15 . 1 1 86 86 LYS H H 1 -0.06 0.05 . . . . . . . . . . 4870 1 78 . 1 1 87 87 ALA N N 15 . 1 1 87 87 ALA H H 1 -0.02 0.05 . . . . . . . . . . 4870 1 79 . 1 1 88 88 LEU N N 15 . 1 1 88 88 LEU H H 1 -0.09 0.06 . . . . . . . . . . 4870 1 80 . 1 1 89 89 ARG N N 15 . 1 1 89 89 ARG H H 1 -0.37 0.11 . . . . . . . . . . 4870 1 81 . 1 1 90 90 LYS N N 15 . 1 1 90 90 LYS H H 1 -0.12 0.08 . . . . . . . . . . 4870 1 82 . 1 1 91 91 LEU N N 15 . 1 1 91 91 LEU H H 1 -0.45 0.05 . . . . . . . . . . 4870 1 83 . 1 1 92 92 ARG N N 15 . 1 1 92 92 ARG H H 1 -0.37 0.11 . . . . . . . . . . 4870 1 84 . 1 1 93 93 HIS N N 15 . 1 1 93 93 HIS H H 1 -0.45 0.06 . . . . . . . . . . 4870 1 85 . 1 1 95 95 SER N N 15 . 1 1 95 95 SER H H 1 -0.43 0.09 . . . . . . . . . . 4870 1 86 . 1 1 96 96 ARG N N 15 . 1 1 96 96 ARG H H 1 -0.45 0.09 . . . . . . . . . . 4870 1 87 . 1 1 97 97 SER N N 15 . 1 1 97 97 SER H H 1 -0.34 0.08 . . . . . . . . . . 4870 1 88 . 1 1 98 98 GLU N N 15 . 1 1 98 98 GLU H H 1 -0.40 0.03 . . . . . . . . . . 4870 1 89 . 1 1 99 99 VAL N N 15 . 1 1 99 99 VAL H H 1 -0.51 0.04 . . . . . . . . . . 4870 1 90 . 1 1 100 100 LEU N N 15 . 1 1 100 100 LEU H H 1 -0.63 0.04 . . . . . . . . . . 4870 1 91 . 1 1 102 102 SER N N 15 . 1 1 102 102 SER H H 1 -0.77 0.06 . . . . . . . . . . 4870 1 92 . 1 1 103 103 PHE N N 15 . 1 1 103 103 PHE H H 1 -0.99 0.13 . . . . . . . . . . 4870 1 93 . 1 1 104 104 LEU N N 15 . 1 1 104 104 LEU H H 1 -0.76 0.06 . . . . . . . . . . 4870 1 94 . 1 1 105 105 ASP N N 15 . 1 1 105 105 ASP H H 1 -1.27 0.10 . . . . . . . . . . 4870 1 95 . 1 1 106 106 ASP N N 15 . 1 1 106 106 ASP H H 1 -1.54 0.09 . . . . . . . . . . 4870 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_T1_Set_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_Set_1 _Heteronucl_T1_list.Entry_ID 4870 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $cond_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 500 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _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 . . 1 $sample_1 . 4870 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 2 2 SER N N 15 1.61 0.12 . . . . . 4870 1 2 . 1 1 3 3 SER N N 15 1.16 0.05 . . . . . 4870 1 3 . 1 1 4 4 HIS N N 15 0.98 0.06 . . . . . 4870 1 4 . 1 1 5 5 HIS N N 15 0.90 0.05 . . . . . 4870 1 5 . 1 1 6 6 HIS N N 15 0.84 0.04 . . . . . 4870 1 6 . 1 1 7 7 HIS N N 15 0.80 0.04 . . . . . 4870 1 7 . 1 1 8 8 HIS N N 15 0.77 0.04 . . . . . 4870 1 8 . 1 1 9 9 HIS N N 15 0.77 0.03 . . . . . 4870 1 9 . 1 1 10 10 SER N N 15 0.85 0.02 . . . . . 4870 1 10 . 1 1 11 11 SER N N 15 0.91 0.02 . . . . . 4870 1 11 . 1 1 12 12 GLY N N 15 0.94 0.03 . . . . . 4870 1 12 . 1 1 14 14 VAL N N 15 0.84 0.03 . . . . . 4870 1 13 . 1 1 16 16 ARG N N 15 0.75 0.02 . . . . . 4870 1 14 . 1 1 17 17 GLY N N 15 0.81 0.03 . . . . . 4870 1 15 . 1 1 18 18 SER N N 15 0.80 0.02 . . . . . 4870 1 16 . 1 1 19 19 HIS N N 15 0.77 0.02 . . . . . 4870 1 17 . 1 1 20 20 MET N N 15 0.78 0.03 . . . . . 4870 1 18 . 1 1 21 21 LEU N N 15 0.74 0.03 . . . . . 4870 1 19 . 1 1 22 22 GLU N N 15 0.74 0.03 . . . . . 4870 1 20 . 1 1 23 23 LEU N N 15 0.75 0.03 . . . . . 4870 1 21 . 1 1 25 25 LEU N N 15 0.68 0.01 . . . . . 4870 1 22 . 1 1 26 26 ASP N N 15 0.71 0.03 . . . . . 4870 1 23 . 1 1 27 27 SER N N 15 0.72 0.02 . . . . . 4870 1 24 . 1 1 28 28 ALA N N 15 0.69 0.02 . . . . . 4870 1 25 . 1 1 29 29 THR N N 15 0.69 0.02 . . . . . 4870 1 26 . 1 1 30 30 THR N N 15 0.71 0.02 . . . . . 4870 1 27 . 1 1 31 31 GLU N N 15 0.68 0.02 . . . . . 4870 1 28 . 1 1 32 32 SER N N 15 0.68 0.01 . . . . . 4870 1 29 . 1 1 33 33 LEU N N 15 0.68 0.02 . . . . . 4870 1 30 . 1 1 34 34 ARG N N 15 0.65 0.02 . . . . . 4870 1 31 . 1 1 36 36 ALA N N 15 0.68 0.02 . . . . . 4870 1 32 . 1 1 37 37 THR N N 15 0.72 0.02 . . . . . 4870 1 33 . 1 1 38 38 HIS N N 15 0.71 0.02 . . . . . 4870 1 34 . 1 1 39 39 ASP N N 15 0.67 0.03 . . . . . 4870 1 35 . 1 1 40 40 VAL N N 15 0.68 0.02 . . . . . 4870 1 36 . 1 1 41 41 LEU N N 15 0.66 0.01 . . . . . 4870 1 37 . 1 1 42 42 ALA N N 15 0.62 0.03 . . . . . 4870 1 38 . 1 1 43 43 GLY N N 15 0.66 0.02 . . . . . 4870 1 39 . 1 1 44 44 LEU N N 15 0.69 0.02 . . . . . 4870 1 40 . 1 1 45 45 THR N N 15 0.58 0.02 . . . . . 4870 1 41 . 1 1 46 46 ALA N N 15 0.61 0.02 . . . . . 4870 1 42 . 1 1 47 47 ARG N N 15 0.57 0.02 . . . . . 4870 1 43 . 1 1 48 48 GLU N N 15 0.58 0.02 . . . . . 4870 1 44 . 1 1 49 49 ALA N N 15 0.56 0.02 . . . . . 4870 1 45 . 1 1 50 50 LYS N N 15 0.55 0.02 . . . . . 4870 1 46 . 1 1 51 51 VAL N N 15 0.56 0.02 . . . . . 4870 1 47 . 1 1 52 52 LEU N N 15 0.56 0.02 . . . . . 4870 1 48 . 1 1 54 54 MET N N 15 0.57 0.01 . . . . . 4870 1 49 . 1 1 55 55 ARG N N 15 0.57 0.01 . . . . . 4870 1 50 . 1 1 56 56 PHE N N 15 0.57 0.02 . . . . . 4870 1 51 . 1 1 57 57 GLY N N 15 0.61 0.02 . . . . . 4870 1 52 . 1 1 58 58 ILE N N 15 0.59 0.02 . . . . . 4870 1 53 . 1 1 59 59 ASP N N 15 0.58 0.02 . . . . . 4870 1 54 . 1 1 60 60 MET N N 15 0.60 0.02 . . . . . 4870 1 55 . 1 1 61 61 ASN N N 15 0.58 0.02 . . . . . 4870 1 56 . 1 1 62 62 THR N N 15 0.61 0.02 . . . . . 4870 1 57 . 1 1 63 63 ASP N N 15 0.56 0.02 . . . . . 4870 1 58 . 1 1 64 64 TYR N N 15 0.60 0.01 . . . . . 4870 1 59 . 1 1 65 65 THR N N 15 0.54 0.01 . . . . . 4870 1 60 . 1 1 66 66 LEU N N 15 0.54 0.01 . . . . . 4870 1 61 . 1 1 67 67 GLU N N 15 0.53 0.02 . . . . . 4870 1 62 . 1 1 68 68 GLU N N 15 0.55 0.02 . . . . . 4870 1 63 . 1 1 69 69 VAL N N 15 0.60 0.02 . . . . . 4870 1 64 . 1 1 70 70 GLY N N 15 0.59 0.02 . . . . . 4870 1 65 . 1 1 71 71 LYS N N 15 0.57 0.01 . . . . . 4870 1 66 . 1 1 72 72 GLN N N 15 0.60 0.02 . . . . . 4870 1 67 . 1 1 74 74 ASP N N 15 0.58 0.02 . . . . . 4870 1 68 . 1 1 75 75 VAL N N 15 0.57 0.01 . . . . . 4870 1 69 . 1 1 76 76 THR N N 15 0.57 0.02 . . . . . 4870 1 70 . 1 1 77 77 ARG N N 15 0.55 0.02 . . . . . 4870 1 71 . 1 1 80 80 ILE N N 15 0.53 0.03 . . . . . 4870 1 72 . 1 1 81 81 ARG N N 15 0.52 0.03 . . . . . 4870 1 73 . 1 1 83 83 ILE N N 15 0.60 0.02 . . . . . 4870 1 74 . 1 1 84 84 GLU N N 15 0.59 0.02 . . . . . 4870 1 75 . 1 1 85 85 ALA N N 15 0.59 0.03 . . . . . 4870 1 76 . 1 1 86 86 LYS N N 15 0.63 0.03 . . . . . 4870 1 77 . 1 1 87 87 ALA N N 15 0.64 0.03 . . . . . 4870 1 78 . 1 1 88 88 LEU N N 15 0.65 0.03 . . . . . 4870 1 79 . 1 1 89 89 ARG N N 15 0.63 0.01 . . . . . 4870 1 80 . 1 1 90 90 LYS N N 15 0.57 0.02 . . . . . 4870 1 81 . 1 1 91 91 LEU N N 15 0.68 0.02 . . . . . 4870 1 82 . 1 1 92 92 ARG N N 15 0.63 0.01 . . . . . 4870 1 83 . 1 1 93 93 HIS N N 15 0.67 0.02 . . . . . 4870 1 84 . 1 1 95 95 SER N N 15 0.69 0.02 . . . . . 4870 1 85 . 1 1 96 96 ARG N N 15 0.68 0.02 . . . . . 4870 1 86 . 1 1 97 97 SER N N 15 0.68 0.02 . . . . . 4870 1 87 . 1 1 98 98 GLU N N 15 0.66 0.02 . . . . . 4870 1 88 . 1 1 99 99 VAL N N 15 0.69 0.02 . . . . . 4870 1 89 . 1 1 100 100 LEU N N 15 0.64 0.02 . . . . . 4870 1 90 . 1 1 102 102 SER N N 15 0.71 0.02 . . . . . 4870 1 91 . 1 1 103 103 PHE N N 15 0.74 0.02 . . . . . 4870 1 92 . 1 1 104 104 LEU N N 15 0.74 0.02 . . . . . 4870 1 93 . 1 1 105 105 ASP N N 15 0.83 0.03 . . . . . 4870 1 94 . 1 1 106 106 ASP N N 15 1.12 0.05 . . . . . 4870 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_T2_set_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode T2_set_1 _Heteronucl_T2_list.Entry_ID 4870 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $cond_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 Ny _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _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 . . 1 $sample_1 . 4870 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 2 2 SER N N 15 1.14 0.15 . . . . . . . 4870 1 2 . 1 1 3 3 SER N N 15 0.92 0.10 . . . . . . . 4870 1 3 . 1 1 4 4 HIS N N 15 0.74 0.06 . . . . . . . 4870 1 4 . 1 1 5 5 HIS N N 15 0.63 0.05 . . . . . . . 4870 1 5 . 1 1 6 6 HIS N N 15 0.56 0.04 . . . . . . . 4870 1 6 . 1 1 7 7 HIS N N 15 0.51 0.03 . . . . . . . 4870 1 7 . 1 1 8 8 HIS N N 15 0.50 0.03 . . . . . . . 4870 1 8 . 1 1 9 9 HIS N N 15 0.50 0.03 . . . . . . . 4870 1 9 . 1 1 10 10 SER N N 15 0.59 0.04 . . . . . . . 4870 1 10 . 1 1 11 11 SER N N 15 0.67 0.05 . . . . . . . 4870 1 11 . 1 1 12 12 GLY N N 15 0.80 0.08 . . . . . . . 4870 1 12 . 1 1 14 14 VAL N N 15 0.67 0.05 . . . . . . . 4870 1 13 . 1 1 16 16 ARG N N 15 0.58 0.04 . . . . . . . 4870 1 14 . 1 1 17 17 GLY N N 15 0.62 0.05 . . . . . . . 4870 1 15 . 1 1 18 18 SER N N 15 0.58 0.04 . . . . . . . 4870 1 16 . 1 1 19 19 HIS N N 15 0.55 0.04 . . . . . . . 4870 1 17 . 1 1 20 20 MET N N 15 0.60 0.04 . . . . . . . 4870 1 18 . 1 1 21 21 LEU N N 15 0.50 0.03 . . . . . . . 4870 1 19 . 1 1 22 22 GLU N N 15 0.51 0.03 . . . . . . . 4870 1 20 . 1 1 23 23 LEU N N 15 0.51 0.03 . . . . . . . 4870 1 21 . 1 1 25 25 LEU N N 15 0.43 0.02 . . . . . . . 4870 1 22 . 1 1 26 26 ASP N N 15 0.49 0.03 . . . . . . . 4870 1 23 . 1 1 27 27 SER N N 15 0.47 0.03 . . . . . . . 4870 1 24 . 1 1 28 28 ALA N N 15 0.47 0.03 . . . . . . . 4870 1 25 . 1 1 29 29 THR N N 15 0.47 0.03 . . . . . . . 4870 1 26 . 1 1 30 30 THR N N 15 0.44 0.02 . . . . . . . 4870 1 27 . 1 1 31 31 GLU N N 15 0.41 0.02 . . . . . . . 4870 1 28 . 1 1 32 32 SER N N 15 0.43 0.02 . . . . . . . 4870 1 29 . 1 1 33 33 LEU N N 15 0.38 0.02 . . . . . . . 4870 1 30 . 1 1 34 34 ARG N N 15 0.39 0.02 . . . . . . . 4870 1 31 . 1 1 36 36 ALA N N 15 0.40 0.02 . . . . . . . 4870 1 32 . 1 1 37 37 THR N N 15 0.40 0.02 . . . . . . . 4870 1 33 . 1 1 38 38 HIS N N 15 0.40 0.02 . . . . . . . 4870 1 34 . 1 1 39 39 ASP N N 15 0.35 0.01 . . . . . . . 4870 1 35 . 1 1 40 40 VAL N N 15 0.36 0.02 . . . . . . . 4870 1 36 . 1 1 41 41 LEU N N 15 0.39 0.02 . . . . . . . 4870 1 37 . 1 1 42 42 ALA N N 15 0.31 0.01 . . . . . . . 4870 1 38 . 1 1 43 43 GLY N N 15 0.34 0.01 . . . . . . . 4870 1 39 . 1 1 44 44 LEU N N 15 0.37 0.02 . . . . . . . 4870 1 40 . 1 1 45 45 THR N N 15 0.28 0.01 . . . . . . . 4870 1 41 . 1 1 46 46 ALA N N 15 0.29 0.01 . . . . . . . 4870 1 42 . 1 1 47 47 ARG N N 15 0.26 0.01 . . . . . . . 4870 1 43 . 1 1 48 48 GLU N N 15 0.25 0.01 . . . . . . . 4870 1 44 . 1 1 49 49 ALA N N 15 0.24 0.01 . . . . . . . 4870 1 45 . 1 1 50 50 LYS N N 15 0.22 0.01 . . . . . . . 4870 1 46 . 1 1 51 51 VAL N N 15 0.24 0.01 . . . . . . . 4870 1 47 . 1 1 52 52 LEU N N 15 0.23 0.01 . . . . . . . 4870 1 48 . 1 1 54 54 MET N N 15 0.24 0.01 . . . . . . . 4870 1 49 . 1 1 55 55 ARG N N 15 0.24 0.01 . . . . . . . 4870 1 50 . 1 1 56 56 PHE N N 15 0.22 0.01 . . . . . . . 4870 1 51 . 1 1 57 57 GLY N N 15 0.32 0.01 . . . . . . . 4870 1 52 . 1 1 58 58 ILE N N 15 0.31 0.01 . . . . . . . 4870 1 53 . 1 1 59 59 ASP N N 15 0.30 0.01 . . . . . . . 4870 1 54 . 1 1 60 60 MET N N 15 0.32 0.01 . . . . . . . 4870 1 55 . 1 1 61 61 ASN N N 15 0.31 0.01 . . . . . . . 4870 1 56 . 1 1 62 62 THR N N 15 0.33 0.01 . . . . . . . 4870 1 57 . 1 1 63 63 ASP N N 15 0.29 0.01 . . . . . . . 4870 1 58 . 1 1 64 64 TYR N N 15 0.27 0.01 . . . . . . . 4870 1 59 . 1 1 65 65 THR N N 15 0.26 0.01 . . . . . . . 4870 1 60 . 1 1 66 66 LEU N N 15 0.25 0.01 . . . . . . . 4870 1 61 . 1 1 67 67 GLU N N 15 0.22 0.01 . . . . . . . 4870 1 62 . 1 1 68 68 GLU N N 15 0.24 0.01 . . . . . . . 4870 1 63 . 1 1 69 69 VAL N N 15 0.28 0.01 . . . . . . . 4870 1 64 . 1 1 70 70 GLY N N 15 0.28 0.01 . . . . . . . 4870 1 65 . 1 1 71 71 LYS N N 15 0.24 0.01 . . . . . . . 4870 1 66 . 1 1 72 72 GLN N N 15 0.28 0.01 . . . . . . . 4870 1 67 . 1 1 74 74 ASP N N 15 0.25 0.01 . . . . . . . 4870 1 68 . 1 1 75 75 VAL N N 15 0.24 0.01 . . . . . . . 4870 1 69 . 1 1 76 76 THR N N 15 0.21 0.01 . . . . . . . 4870 1 70 . 1 1 77 77 ARG N N 15 0.20 0.01 . . . . . . . 4870 1 71 . 1 1 80 80 ILE N N 15 0.15 0.01 . . . . . . . 4870 1 72 . 1 1 81 81 ARG N N 15 0.14 0.01 . . . . . . . 4870 1 73 . 1 1 83 83 ILE N N 15 0.22 0.01 . . . . . . . 4870 1 74 . 1 1 84 84 GLU N N 15 0.19 0.01 . . . . . . . 4870 1 75 . 1 1 85 85 ALA N N 15 0.17 0.01 . . . . . . . 4870 1 76 . 1 1 86 86 LYS N N 15 0.23 0.01 . . . . . . . 4870 1 77 . 1 1 87 87 ALA N N 15 0.25 0.01 . . . . . . . 4870 1 78 . 1 1 88 88 LEU N N 15 0.26 0.01 . . . . . . . 4870 1 79 . 1 1 89 89 ARG N N 15 0.34 0.01 . . . . . . . 4870 1 80 . 1 1 90 90 LYS N N 15 0.28 0.01 . . . . . . . 4870 1 81 . 1 1 91 91 LEU N N 15 0.36 0.01 . . . . . . . 4870 1 82 . 1 1 92 92 ARG N N 15 0.34 0.01 . . . . . . . 4870 1 83 . 1 1 93 93 HIS N N 15 0.39 0.02 . . . . . . . 4870 1 84 . 1 1 95 95 SER N N 15 0.43 0.02 . . . . . . . 4870 1 85 . 1 1 96 96 ARG N N 15 0.45 0.02 . . . . . . . 4870 1 86 . 1 1 97 97 SER N N 15 0.43 0.02 . . . . . . . 4870 1 87 . 1 1 98 98 GLU N N 15 0.46 0.02 . . . . . . . 4870 1 88 . 1 1 99 99 VAL N N 15 0.47 0.03 . . . . . . . 4870 1 89 . 1 1 100 100 LEU N N 15 0.41 0.02 . . . . . . . 4870 1 90 . 1 1 102 102 SER N N 15 0.50 0.03 . . . . . . . 4870 1 91 . 1 1 103 103 PHE N N 15 0.53 0.03 . . . . . . . 4870 1 92 . 1 1 104 104 LEU N N 15 0.51 0.03 . . . . . . . 4870 1 93 . 1 1 105 105 ASP N N 15 0.59 0.04 . . . . . . . 4870 1 94 . 1 1 106 106 ASP N N 15 0.46 0.02 . . . . . . . 4870 1 stop_ save_