data_15975 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15975 _Entry.Title ; Sequence-specific 1H, 15N, and 13C resonance assignments and relaxation parameters for the whole region 4 of Escherichia coli RNA polymerase sigma70 subunit in 30% TFE ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-10-06 _Entry.Accession_date 2008-10-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'TFE-induced native-like fold of the initially unfolded protein' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Piotr Kaczka . . . 15975 2 Jarek Poznanski . . . 15975 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15975 heteronucl_NOEs 1 15975 heteronucl_T1_relaxation 1 15975 heteronucl_T2_relaxation 1 15975 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 431 15975 '15N chemical shifts' 104 15975 '1H chemical shifts' 661 15975 'heteronuclear NOE values' 100 15975 'T1 relaxation values' 101 15975 'T2 relaxation values' 101 15975 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 3 . . 2011-08-16 2011-08-16 update BMRB 'T1 and T2 units changed from ms to s' 15975 2 . . 2010-01-25 2008-10-06 update BMRB 'complete entry citation' 15975 1 . . 2009-12-14 2008-10-06 original author 'original release' 15975 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15930 'RNA polymerase sigma70 domain' 15975 BMRB 15936 'RNA polymerase sigma70 subunit recorded at TFE' 15975 BMRB 4870 'RNA polymerase sigma70 subunit' 15975 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15975 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19847776 _Citation.Full_citation . _Citation.Title 'Backbone dynamics of TFE-induced native-like fold of region 4 of Escherichia coli RNA polymerase sigma70 subunit.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _Citation.Journal_volume 78 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 754 _Citation.Page_last 768 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Piotr Kaczka . . . 15975 1 2 Agnieszka Polkowska-Nowakowska . . . 15975 1 3 Krystyna Bolewska . . . 15975 1 4 Igor Zhukov . . . 15975 1 5 Jarosaw Poznaski . . . 15975 1 6 Kazimierz Wierzchowski . L. . 15975 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15975 _Assembly.ID 1 _Assembly.Name '4 sigma70' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 '4 sigma70' 1 $4_sigma70 A . yes unfolded no yes . . . 15975 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'promoter DNA recognition factor' 15975 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_4_sigma70 _Entity.Sf_category entity _Entity.Sf_framecode 4_sigma70 _Entity.Entry_ID 15975 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 4_sigma70 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGLVPRGSH MLELPLDSATTESLRAATHD VLAGLTAREAKVLRMRFGID MNTDYTLEEVGKQFDVTRER IRQIEAKALRKLRHPSRSEV LRSFLDD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 107 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 2.7.7.6 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12032.5 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2.46e-69 . . . . 15975 1 2 no BMRB 15936 . 4_sigma70 . . . . . 100.00 107 100.00 100.00 2.46e-69 . . . . 15975 1 3 no PDB 1TLH . "T4 Asia Bound To Sigma70 Region 4" . . . . . 75.70 81 100.00 100.00 5.26e-49 . . . . 15975 1 4 no PDB 2P7V . "Crystal Structure Of The Escherichia Coli Regulator Of Sigma 70, Rsd, In Complex With Sigma 70 Domain 4" . . . . . 63.55 68 100.00 100.00 1.12e-39 . . . . 15975 1 5 no PDB 3IYD . "Three-Dimensional Em Structure Of An Intact Activator-Dependent Transcription Initiation Complex" . . . . . 80.37 613 98.84 100.00 1.42e-47 . . . . 15975 1 6 no PDB 3T72 . "Phob(E)-Sigma70(4)-(Rnap-Betha-Flap-Tip-Helix)-Dna Transcription Activation Sub-Complex" . . . . . 72.90 99 98.72 100.00 7.63e-46 . . . . 15975 1 7 no PDB 4JK1 . "X-ray Crystal Structure Of Escherichia Coli Sigma70 Holoenzyme In Complex With Guanosine Tetraphosphate (ppgpp)" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15975 1 8 no PDB 4JK2 . "X-ray Crystal Structure Of Escherichia Coli Sigma70 Holoenzyme In Complex With Guanosine Pentaphosphate (pppgpp)" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15975 1 9 no PDB 4JKR . "Crystal Structure Of E. Coli Rna Polymerase In Complex With Ppgpp" . . . . . 80.37 628 100.00 100.00 1.91e-48 . . . . 15975 1 10 no PDB 4KMU . "X-ray Crystal Structure Of The Escherichia Coli Rna Polymerase In Complex With Rifampin" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15975 1 11 no PDB 4KN4 . "X-ray Crystal Structure Of The Escherichia Coli Rna Polymerase In Complex With Benzoxazinorifamycin-2b" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15975 1 12 no PDB 4KN7 . "X-ray Crystal Structure Of The Escherichia Coli Rna Polymerase In Complex With Benzoxazinorifamycin-2c" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15975 1 13 no PDB 4LJZ . "Crystal Structure Analysis Of The E.coli Holoenzyme" . . . . . 80.37 522 100.00 100.00 6.96e-49 . . . . 15975 1 14 no PDB 4LK0 . "Crystal Structure Analysis Of The E.coli Holoenzyme/t7 Gp2 Complex" . . . . . 80.37 522 100.00 100.00 6.96e-49 . . . . 15975 1 15 no PDB 4LK1 . "Crystal Structure Analysis Of The E.coli Holoenzyme" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15975 1 16 no PDB 4LLG . "Crystal Structure Analysis Of The E.coli Holoenzyme/gp2 Complex" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15975 1 17 no PDB 4MEX . "Crystal Structure Of Escherichia Coli Rna Polymerase In Complex With Salinamide A" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15975 1 18 no PDB 4MEY . "Crystal Structure Of Escherichia Coli Rna Polymerase Holoenzyme" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15975 1 19 no PDB 4XSX . "Crystal Structure Of Cbr 703 Bound To Escherichia Coli Rna Polymerase Holoenzyme" . . . . . 80.37 522 100.00 100.00 6.96e-49 . . . . 15975 1 20 no PDB 4XSY . "Crystal Structure Of Cbr 9379 Bound To Escherichia Coli Rna Polymerase Holoenzyme" . . . . . 80.37 522 100.00 100.00 6.96e-49 . . . . 15975 1 21 no PDB 4XSZ . "Crystal Structure Of Cbr 9393 Bound To Escherichia Coli Rna Polymerase Holoenzyme" . . . . . 80.37 522 100.00 100.00 6.96e-49 . . . . 15975 1 22 no PDB 4YFK . "Escherichia Coli Rna Polymerase In Complex With Squaramide Compound 8." . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15975 1 23 no PDB 4YFN . "Escherichia Coli Rna Polymerase In Complex With Squaramide Compound 14 (n-[3,4-dioxo-2-(4-{[4-(trifluoromethyl)benzyl]amino}pip" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15975 1 24 no PDB 4YFX . "Escherichia Coli Rna Polymerase In Complex With Myxopyronin B" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15975 1 25 no PDB 4YG2 . "X-ray Crystal Structur Of Escherichia Coli Rna Polymerase Sigma70 Holoenzyme" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15975 1 26 no PDB 4YLN . "E. Coli Transcription Initiation Complex - 17-bp Spacer And 4-nt Rna" . . . . . 80.37 628 100.00 100.00 1.91e-48 . . . . 15975 1 27 no PDB 4YLO . "E. Coli Transcription Initiation Complex - 16-bp Spacer And 4-nt Rna" . . . . . 80.37 628 100.00 100.00 1.91e-48 . . . . 15975 1 28 no PDB 4YLP . "E. Coli Transcription Initiation Complex - 16-bp Spacer And 5-nt Rna" . . . . . 80.37 628 100.00 100.00 1.91e-48 . . . . 15975 1 29 no PDB 4ZH2 . "Crystal Structure Of Escherichia Coli Rna Polymerase In Complex With Cbr703" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15975 1 30 no PDB 4ZH3 . "Crystal Structure Of Escherichia Coli Rna Polymerase In Complex With Cbrh16-br" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15975 1 31 no PDB 4ZH4 . "Crystal Structure Of Escherichia Coli Rna Polymerase In Complex With Cbrp18" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15975 1 32 no DBJ BAB37373 . "RNA polymerase sigma 70 factor RpoD [Escherichia coli O157:H7 str. Sakai]" . . . . . 80.37 613 98.84 100.00 1.54e-47 . . . . 15975 1 33 no DBJ BAE77118 . "RNA polymerase, sigma 70 (sigma D) factor [Escherichia coli str. K12 substr. W3110]" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15975 1 34 no DBJ BAG66772 . "RNA polymerase, sigma(70) factor [Escherichia coli O111:H-]" . . . . . 80.37 613 98.84 100.00 1.54e-47 . . . . 15975 1 35 no DBJ BAG78873 . "RNA polymerase sigma factor RpoD [Escherichia coli SE11]" . . . . . 80.37 613 98.84 100.00 1.54e-47 . . . . 15975 1 36 no DBJ BAH65247 . "RNA polymerase sigma factor [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 80.37 632 98.84 100.00 1.29e-47 . . . . 15975 1 37 no EMBL CAD07736 . "RNA polymerase sigma-70 factor [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 80.37 660 98.84 100.00 1.70e-47 . . . . 15975 1 38 no EMBL CAL34114 . "RNA polymerase sigma factor rpoD [Cronobacter sakazakii]" . . . . . 80.37 359 98.84 100.00 3.73e-49 . . . . 15975 1 39 no EMBL CAP77541 . "RNA polymerase sigma factor rpoD [Escherichia coli LF82]" . . . . . 80.37 613 98.84 100.00 1.42e-47 . . . . 15975 1 40 no EMBL CAQ33404 . "RNA polymerase, sigma 70 (sigma D) factor, subunit of RNA polymerase sigma 70 [Escherichia coli BL21(DE3)]" . . . . . 80.37 613 98.84 100.00 1.52e-47 . . . . 15975 1 41 no EMBL CAQ90501 . "RNA polymerase, sigma 70 (sigma D) factor [Escherichia fergusonii ATCC 35469]" . . . . . 80.37 613 98.84 100.00 1.52e-47 . . . . 15975 1 42 no GB AAA24601 . "RNA polymerase sigma-subunit [Escherichia coli]" . . . . . 80.37 613 100.00 100.00 9.58e-49 . . . . 15975 1 43 no GB AAA27242 . "rpoD protein [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 80.37 615 98.84 100.00 1.63e-47 . . . . 15975 1 44 no GB AAA89147 . "CG Site No. 231; alternate gene name alt [Escherichia coli str. K-12 substr. MG1655]" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15975 1 45 no GB AAB60181 . "RNA polymerase sigma-subunit [Escherichia coli]" . . . . . 80.37 603 98.84 100.00 1.42e-47 . . . . 15975 1 46 no GB AAC76103 . "RNA polymerase, sigma 70 (sigma D) factor [Escherichia coli str. K-12 substr. MG1655]" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15975 1 47 no PIR AB0893 . "RNA polymerase sigma-70 factor [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 80.37 660 98.84 100.00 1.70e-47 . . . . 15975 1 48 no REF NP_311977 . "RNA polymerase sigma factor RpoD [Escherichia coli O157:H7 str. Sakai]" . . . . . 80.37 613 98.84 100.00 1.54e-47 . . . . 15975 1 49 no REF NP_417539 . "RNA polymerase, sigma 70 (sigma D) factor [Escherichia coli str. K-12 substr. MG1655]" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15975 1 50 no REF NP_457602 . "RNA polymerase sigma-70 factor [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 80.37 660 98.84 100.00 1.70e-47 . . . . 15975 1 51 no REF NP_462126 . "RNA polymerase sigma factor RpoD [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 80.37 615 98.84 100.00 1.63e-47 . . . . 15975 1 52 no REF NP_708877 . "RNA polymerase sigma factor RpoD [Shigella flexneri 2a str. 301]" . . . . . 80.37 613 98.84 100.00 1.54e-47 . . . . 15975 1 53 no SP P00579 . "RecName: Full=RNA polymerase sigma factor RpoD; AltName: Full=Sigma-70" . . . . . 80.37 613 100.00 100.00 1.02e-48 . . . . 15975 1 54 no SP P0A2E3 . "RecName: Full=RNA polymerase sigma factor RpoD; AltName: Full=Sigma-70" . . . . . 80.37 615 98.84 100.00 1.63e-47 . . . . 15975 1 55 no SP P0A2E4 . "RecName: Full=RNA polymerase sigma factor RpoD; AltName: Full=Sigma-70" . . . . . 80.37 615 98.84 100.00 1.63e-47 . . . . 15975 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'promoter DNA recognition factor' 15975 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15975 1 2 . GLY . 15975 1 3 . SER . 15975 1 4 . SER . 15975 1 5 . HIS . 15975 1 6 . HIS . 15975 1 7 . HIS . 15975 1 8 . HIS . 15975 1 9 . HIS . 15975 1 10 . HIS . 15975 1 11 . SER . 15975 1 12 . SER . 15975 1 13 . GLY . 15975 1 14 . LEU . 15975 1 15 . VAL . 15975 1 16 . PRO . 15975 1 17 . ARG . 15975 1 18 . GLY . 15975 1 19 . SER . 15975 1 20 . HIS . 15975 1 21 . MET . 15975 1 22 . LEU . 15975 1 23 . GLU . 15975 1 24 . LEU . 15975 1 25 . PRO . 15975 1 26 . LEU . 15975 1 27 . ASP . 15975 1 28 . SER . 15975 1 29 . ALA . 15975 1 30 . THR . 15975 1 31 . THR . 15975 1 32 . GLU . 15975 1 33 . SER . 15975 1 34 . LEU . 15975 1 35 . ARG . 15975 1 36 . ALA . 15975 1 37 . ALA . 15975 1 38 . THR . 15975 1 39 . HIS . 15975 1 40 . ASP . 15975 1 41 . VAL . 15975 1 42 . LEU . 15975 1 43 . ALA . 15975 1 44 . GLY . 15975 1 45 . LEU . 15975 1 46 . THR . 15975 1 47 . ALA . 15975 1 48 . ARG . 15975 1 49 . GLU . 15975 1 50 . ALA . 15975 1 51 . LYS . 15975 1 52 . VAL . 15975 1 53 . LEU . 15975 1 54 . ARG . 15975 1 55 . MET . 15975 1 56 . ARG . 15975 1 57 . PHE . 15975 1 58 . GLY . 15975 1 59 . ILE . 15975 1 60 . ASP . 15975 1 61 . MET . 15975 1 62 . ASN . 15975 1 63 . THR . 15975 1 64 . ASP . 15975 1 65 . TYR . 15975 1 66 . THR . 15975 1 67 . LEU . 15975 1 68 . GLU . 15975 1 69 . GLU . 15975 1 70 . VAL . 15975 1 71 . GLY . 15975 1 72 . LYS . 15975 1 73 . GLN . 15975 1 74 . PHE . 15975 1 75 . ASP . 15975 1 76 . VAL . 15975 1 77 . THR . 15975 1 78 . ARG . 15975 1 79 . GLU . 15975 1 80 . ARG . 15975 1 81 . ILE . 15975 1 82 . ARG . 15975 1 83 . GLN . 15975 1 84 . ILE . 15975 1 85 . GLU . 15975 1 86 . ALA . 15975 1 87 . LYS . 15975 1 88 . ALA . 15975 1 89 . LEU . 15975 1 90 . ARG . 15975 1 91 . LYS . 15975 1 92 . LEU . 15975 1 93 . ARG . 15975 1 94 . HIS . 15975 1 95 . PRO . 15975 1 96 . SER . 15975 1 97 . ARG . 15975 1 98 . SER . 15975 1 99 . GLU . 15975 1 100 . VAL . 15975 1 101 . LEU . 15975 1 102 . ARG . 15975 1 103 . SER . 15975 1 104 . PHE . 15975 1 105 . LEU . 15975 1 106 . ASP . 15975 1 107 . ASP . 15975 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15975 1 . GLY 2 2 15975 1 . SER 3 3 15975 1 . SER 4 4 15975 1 . HIS 5 5 15975 1 . HIS 6 6 15975 1 . HIS 7 7 15975 1 . HIS 8 8 15975 1 . HIS 9 9 15975 1 . HIS 10 10 15975 1 . SER 11 11 15975 1 . SER 12 12 15975 1 . GLY 13 13 15975 1 . LEU 14 14 15975 1 . VAL 15 15 15975 1 . PRO 16 16 15975 1 . ARG 17 17 15975 1 . GLY 18 18 15975 1 . SER 19 19 15975 1 . HIS 20 20 15975 1 . MET 21 21 15975 1 . LEU 22 22 15975 1 . GLU 23 23 15975 1 . LEU 24 24 15975 1 . PRO 25 25 15975 1 . LEU 26 26 15975 1 . ASP 27 27 15975 1 . SER 28 28 15975 1 . ALA 29 29 15975 1 . THR 30 30 15975 1 . THR 31 31 15975 1 . GLU 32 32 15975 1 . SER 33 33 15975 1 . LEU 34 34 15975 1 . ARG 35 35 15975 1 . ALA 36 36 15975 1 . ALA 37 37 15975 1 . THR 38 38 15975 1 . HIS 39 39 15975 1 . ASP 40 40 15975 1 . VAL 41 41 15975 1 . LEU 42 42 15975 1 . ALA 43 43 15975 1 . GLY 44 44 15975 1 . LEU 45 45 15975 1 . THR 46 46 15975 1 . ALA 47 47 15975 1 . ARG 48 48 15975 1 . GLU 49 49 15975 1 . ALA 50 50 15975 1 . LYS 51 51 15975 1 . VAL 52 52 15975 1 . LEU 53 53 15975 1 . ARG 54 54 15975 1 . MET 55 55 15975 1 . ARG 56 56 15975 1 . PHE 57 57 15975 1 . GLY 58 58 15975 1 . ILE 59 59 15975 1 . ASP 60 60 15975 1 . MET 61 61 15975 1 . ASN 62 62 15975 1 . THR 63 63 15975 1 . ASP 64 64 15975 1 . TYR 65 65 15975 1 . THR 66 66 15975 1 . LEU 67 67 15975 1 . GLU 68 68 15975 1 . GLU 69 69 15975 1 . VAL 70 70 15975 1 . GLY 71 71 15975 1 . LYS 72 72 15975 1 . GLN 73 73 15975 1 . PHE 74 74 15975 1 . ASP 75 75 15975 1 . VAL 76 76 15975 1 . THR 77 77 15975 1 . ARG 78 78 15975 1 . GLU 79 79 15975 1 . ARG 80 80 15975 1 . ILE 81 81 15975 1 . ARG 82 82 15975 1 . GLN 83 83 15975 1 . ILE 84 84 15975 1 . GLU 85 85 15975 1 . ALA 86 86 15975 1 . LYS 87 87 15975 1 . ALA 88 88 15975 1 . LEU 89 89 15975 1 . ARG 90 90 15975 1 . LYS 91 91 15975 1 . LEU 92 92 15975 1 . ARG 93 93 15975 1 . HIS 94 94 15975 1 . PRO 95 95 15975 1 . SER 96 96 15975 1 . ARG 97 97 15975 1 . SER 98 98 15975 1 . GLU 99 99 15975 1 . VAL 100 100 15975 1 . LEU 101 101 15975 1 . ARG 102 102 15975 1 . SER 103 103 15975 1 . PHE 104 104 15975 1 . LEU 105 105 15975 1 . ASP 106 106 15975 1 . ASP 107 107 15975 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 15975 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $4_sigma70 . 562 organism . 'Escherichia coli' 'Escherichia coli' . . Bacteria . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . rpoD . . . . 15975 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 15975 _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' . . . Escherichia coli 'Escherichia coli BL21(DE3)' . . . . . . . . . . . . . . . pET-15b . . . . . . 15975 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15975 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '30% TFE (2,2,2-trifluoroehtanol)' _Sample.Aggregate_sample_number . _Sample.Solvent_system trifluoroethanol/water _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 '4 sigma70' '[U-13C; U-15N]' . . 1 $4_sigma70 . . 3 . . mM . . . . 15975 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15975 _Sample_condition_list.ID 1 _Sample_condition_list.Details '30% TFE (2,2,2-trifluoroehtanol)' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 4.55 . pH 15975 1 pressure 1 . atm 15975 1 temperature 298 . K 15975 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15975 _Software.ID 1 _Software.Name NMRPipe _Software.Version 1.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15975 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15975 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15975 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.111 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15975 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15975 2 'data analysis' 15975 2 'peak picking' 15975 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15975 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15975 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian UnityPlus . 500 . . . 15975 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 15975 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15975 1 2 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15975 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15975 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15975 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15975 1 6 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15975 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15975 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15975 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15975 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15975 1 11 '{1H-} -15N NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15975 1 12 '{1H-} -15N T1' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15975 1 13 '{1H-} -15N T2' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15975 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15975 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15975 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15975 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15975 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15975 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'M1 is deleted in the expression system.' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15975 1 2 '3D C(CO)NH' . . . 15975 1 3 '3D CBCA(CO)NH' . . . 15975 1 4 '3D HNCACB' . . . 15975 1 5 '3D HNCO' . . . 15975 1 6 '3D HNHA' . . . 15975 1 7 '3D HBHA(CO)NH' . . . 15975 1 8 '3D 1H-15N NOESY' . . . 15975 1 9 '2D 1H-13C HSQC' . . . 15975 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLY HA2 H 1 3.944 0.02 . 1 . . . . 2 GLY HA2 . 15975 1 2 . 1 1 2 2 GLY C C 13 170.051 0.2 . 1 . . . . 2 GLY C . 15975 1 3 . 1 1 2 2 GLY CA C 13 43.406 0.2 . 1 . . . . 2 GLY CA . 15975 1 4 . 1 1 3 3 SER H H 1 8.62 0.02 . 1 . . . . 3 SER HN . 15975 1 5 . 1 1 3 3 SER HA H 1 4.542 0.02 . 1 . . . . 3 SER HA . 15975 1 6 . 1 1 3 3 SER HB2 H 1 3.834 0.02 . 2 . . . . 3 SER HB2 . 15975 1 7 . 1 1 3 3 SER HB3 H 1 3.834 0.02 . 2 . . . . 3 SER HB3 . 15975 1 8 . 1 1 3 3 SER C C 13 174.404 0.2 . 1 . . . . 3 SER C . 15975 1 9 . 1 1 3 3 SER CA C 13 58.463 0.2 . 1 . . . . 3 SER CA . 15975 1 10 . 1 1 3 3 SER CB C 13 64.039 0.2 . 1 . . . . 3 SER CB . 15975 1 11 . 1 1 3 3 SER N N 15 115.282 0.2 . 1 . . . . 3 SER N . 15975 1 12 . 1 1 4 4 SER H H 1 8.42 0.02 . 1 . . . . 4 SER HN . 15975 1 13 . 1 1 4 4 SER HA H 1 4.417 0.02 . 1 . . . . 4 SER HA . 15975 1 14 . 1 1 4 4 SER HB2 H 1 3.837 0.02 . 2 . . . . 4 SER HB2 . 15975 1 15 . 1 1 4 4 SER HB3 H 1 3.837 0.02 . 2 . . . . 4 SER HB3 . 15975 1 16 . 1 1 4 4 SER C C 13 174.396 0.2 . 1 . . . . 4 SER C . 15975 1 17 . 1 1 4 4 SER CA C 13 58.492 0.2 . 1 . . . . 4 SER CA . 15975 1 18 . 1 1 4 4 SER CB C 13 63.893 0.2 . 1 . . . . 4 SER CB . 15975 1 19 . 1 1 4 4 SER N N 15 117.622 0.2 . 1 . . . . 4 SER N . 15975 1 20 . 1 1 5 5 HIS H H 1 8.505 0.02 . 1 . . . . 5 HIS HN . 15975 1 21 . 1 1 5 5 HIS HA H 1 4.656 0.02 . 1 . . . . 5 HIS HA . 15975 1 22 . 1 1 5 5 HIS HB2 H 1 3.03 0.02 . 2 . . . . 5 HIS HB2 . 15975 1 23 . 1 1 5 5 HIS HB3 H 1 3.243 0.02 . 2 . . . . 5 HIS HB3 . 15975 1 24 . 1 1 5 5 HIS C C 13 174.078 0.2 . 1 . . . . 5 HIS C . 15975 1 25 . 1 1 5 5 HIS CA C 13 55.175 0.2 . 1 . . . . 5 HIS CA . 15975 1 26 . 1 1 5 5 HIS CB C 13 28.642 0.2 . 1 . . . . 5 HIS CB . 15975 1 27 . 1 1 5 5 HIS N N 15 119.61 0.2 . 1 . . . . 5 HIS N . 15975 1 28 . 1 1 6 6 HIS H H 1 8.452 0.02 . 1 . . . . 6 HIS HN . 15975 1 29 . 1 1 6 6 HIS HA H 1 4.659 0.02 . 1 . . . . 6 HIS HA . 15975 1 30 . 1 1 6 6 HIS HB2 H 1 3.137 0.02 . 2 . . . . 6 HIS HB2 . 15975 1 31 . 1 1 6 6 HIS HB3 H 1 3.293 0.02 . 2 . . . . 6 HIS HB3 . 15975 1 32 . 1 1 6 6 HIS C C 13 173.99 0.2 . 1 . . . . 6 HIS C . 15975 1 33 . 1 1 6 6 HIS CA C 13 55.322 0.2 . 1 . . . . 6 HIS CA . 15975 1 34 . 1 1 6 6 HIS CB C 13 29.229 0.2 . 1 . . . . 6 HIS CB . 15975 1 35 . 1 1 6 6 HIS N N 15 118.578 0.2 . 1 . . . . 6 HIS N . 15975 1 36 . 1 1 7 7 HIS H H 1 8.62 0.02 . 1 . . . . 7 HIS HN . 15975 1 37 . 1 1 7 7 HIS HA H 1 4.77 0.02 . 1 . . . . 7 HIS HA . 15975 1 38 . 1 1 7 7 HIS HB2 H 1 3.133 0.02 . 2 . . . . 7 HIS HB2 . 15975 1 39 . 1 1 7 7 HIS HB3 H 1 3.236 0.02 . 2 . . . . 7 HIS HB3 . 15975 1 40 . 1 1 7 7 HIS C C 13 173.994 0.2 . 1 . . . . 7 HIS C . 15975 1 41 . 1 1 7 7 HIS CA C 13 55.263 0.2 . 1 . . . . 7 HIS CA . 15975 1 42 . 1 1 7 7 HIS CB C 13 29.259 0.2 . 1 . . . . 7 HIS CB . 15975 1 43 . 1 1 7 7 HIS N N 15 119.448 0.2 . 1 . . . . 7 HIS N . 15975 1 44 . 1 1 8 8 HIS H H 1 8.694 0.02 . 1 . . . . 8 HIS HN . 15975 1 45 . 1 1 8 8 HIS HA H 1 4.769 0.02 . 1 . . . . 8 HIS HA . 15975 1 46 . 1 1 8 8 HIS HB2 H 1 3.133 0.02 . 2 . . . . 8 HIS HB2 . 15975 1 47 . 1 1 8 8 HIS HB3 H 1 3.239 0.02 . 2 . . . . 8 HIS HB3 . 15975 1 48 . 1 1 8 8 HIS C C 13 173.982 0.2 . 1 . . . . 8 HIS C . 15975 1 49 . 1 1 8 8 HIS CA C 13 55.381 0.2 . 1 . . . . 8 HIS CA . 15975 1 50 . 1 1 8 8 HIS CB C 13 29.259 0.2 . 1 . . . . 8 HIS CB . 15975 1 51 . 1 1 8 8 HIS N N 15 120.001 0.2 . 1 . . . . 8 HIS N . 15975 1 52 . 1 1 9 9 HIS H H 1 8.707 0.02 . 1 . . . . 9 HIS HN . 15975 1 53 . 1 1 9 9 HIS HA H 1 4.715 0.02 . 1 . . . . 9 HIS HA . 15975 1 54 . 1 1 9 9 HIS HB2 H 1 3.206 0.02 . 2 . . . . 9 HIS HB2 . 15975 1 55 . 1 1 9 9 HIS HB3 H 1 3.243 0.02 . 2 . . . . 9 HIS HB3 . 15975 1 56 . 1 1 9 9 HIS C C 13 173.883 0.2 . 1 . . . . 9 HIS C . 15975 1 57 . 1 1 9 9 HIS CA C 13 55.41 0.2 . 1 . . . . 9 HIS CA . 15975 1 58 . 1 1 9 9 HIS CB C 13 29.288 0.2 . 1 . . . . 9 HIS CB . 15975 1 59 . 1 1 9 9 HIS N N 15 120.538 0.2 . 1 . . . . 9 HIS N . 15975 1 60 . 1 1 10 10 HIS H H 1 8.686 0.02 . 1 . . . . 10 HIS HN . 15975 1 61 . 1 1 10 10 HIS HA H 1 4.773 0.02 . 1 . . . . 10 HIS HA . 15975 1 62 . 1 1 10 10 HIS HB2 H 1 3.183 0.02 . 2 . . . . 10 HIS HB2 . 15975 1 63 . 1 1 10 10 HIS HB3 H 1 3.25 0.02 . 2 . . . . 10 HIS HB3 . 15975 1 64 . 1 1 10 10 HIS C C 13 173.978 0.2 . 1 . . . . 10 HIS C . 15975 1 65 . 1 1 10 10 HIS CA C 13 55.88 0.2 . 1 . . . . 10 HIS CA . 15975 1 66 . 1 1 10 10 HIS CB C 13 29.523 0.2 . 1 . . . . 10 HIS CB . 15975 1 67 . 1 1 10 10 HIS N N 15 121.248 0.2 . 1 . . . . 10 HIS N . 15975 1 68 . 1 1 11 11 SER H H 1 8.487 0.02 . 1 . . . . 11 SER HN . 15975 1 69 . 1 1 11 11 SER HA H 1 4.542 0.02 . 1 . . . . 11 SER HA . 15975 1 70 . 1 1 11 11 SER HB2 H 1 3.918 0.02 . 2 . . . . 11 SER HB2 . 15975 1 71 . 1 1 11 11 SER HB3 H 1 3.918 0.02 . 2 . . . . 11 SER HB3 . 15975 1 72 . 1 1 11 11 SER C C 13 174.284 0.2 . 1 . . . . 11 SER C . 15975 1 73 . 1 1 11 11 SER CA C 13 58.404 0.2 . 1 . . . . 11 SER CA . 15975 1 74 . 1 1 11 11 SER CB C 13 64.01 0.2 . 1 . . . . 11 SER CB . 15975 1 75 . 1 1 11 11 SER N N 15 118.491 0.2 . 1 . . . . 11 SER N . 15975 1 76 . 1 1 12 12 SER H H 1 8.502 0.02 . 1 . . . . 12 SER HN . 15975 1 77 . 1 1 12 12 SER HA H 1 4.546 0.02 . 1 . . . . 12 SER HA . 15975 1 78 . 1 1 12 12 SER HB2 H 1 3.951 0.02 . 2 . . . . 12 SER HB2 . 15975 1 79 . 1 1 12 12 SER HB3 H 1 3.951 0.02 . 2 . . . . 12 SER HB3 . 15975 1 80 . 1 1 12 12 SER C C 13 174.69 0.2 . 1 . . . . 12 SER C . 15975 1 81 . 1 1 12 12 SER CA C 13 58.551 0.2 . 1 . . . . 12 SER CA . 15975 1 82 . 1 1 12 12 SER CB C 13 64.01 0.2 . 1 . . . . 12 SER CB . 15975 1 83 . 1 1 12 12 SER N N 15 118.125 0.2 . 1 . . . . 12 SER N . 15975 1 84 . 1 1 13 13 GLY H H 1 8.362 0.02 . 1 . . . . 13 GLY HN . 15975 1 85 . 1 1 13 13 GLY HA2 H 1 3.951 0.02 . 1 . . . . 13 GLY HA2 . 15975 1 86 . 1 1 13 13 GLY C C 13 173.497 0.2 . 1 . . . . 13 GLY C . 15975 1 87 . 1 1 13 13 GLY CA C 13 45.343 0.2 . 1 . . . . 13 GLY CA . 15975 1 88 . 1 1 13 13 GLY N N 15 110.214 0.2 . 1 . . . . 13 GLY N . 15975 1 89 . 1 1 14 14 LEU H H 1 8.029 0.02 . 1 . . . . 14 LEU HN . 15975 1 90 . 1 1 14 14 LEU HA H 1 4.417 0.02 . 1 . . . . 14 LEU HA . 15975 1 91 . 1 1 14 14 LEU HB2 H 1 1.603 0.02 . 2 . . . . 14 LEU HB2 . 15975 1 92 . 1 1 14 14 LEU HB3 H 1 1.603 0.02 . 2 . . . . 14 LEU HB3 . 15975 1 93 . 1 1 14 14 LEU HD11 H 1 0.902 0.02 . 1 . . . . 14 LEU HD1 . 15975 1 94 . 1 1 14 14 LEU HD12 H 1 0.902 0.02 . 1 . . . . 14 LEU HD1 . 15975 1 95 . 1 1 14 14 LEU HD13 H 1 0.902 0.02 . 1 . . . . 14 LEU HD1 . 15975 1 96 . 1 1 14 14 LEU HD21 H 1 1.072 0.02 . 1 . . . . 14 LEU HD2 . 15975 1 97 . 1 1 14 14 LEU HD22 H 1 1.072 0.02 . 1 . . . . 14 LEU HD2 . 15975 1 98 . 1 1 14 14 LEU HD23 H 1 1.072 0.02 . 1 . . . . 14 LEU HD2 . 15975 1 99 . 1 1 14 14 LEU HG H 1 1.493 0.02 . 1 . . . . 14 LEU HG . 15975 1 100 . 1 1 14 14 LEU C C 13 178.032 0.2 . 1 . . . . 14 LEU C . 15975 1 101 . 1 1 14 14 LEU CA C 13 54.823 0.2 . 1 . . . . 14 LEU CA . 15975 1 102 . 1 1 14 14 LEU CB C 13 42.437 0.2 . 1 . . . . 14 LEU CB . 15975 1 103 . 1 1 14 14 LEU CD1 C 13 23.446 0.2 . 1 . . . . 14 LEU CD1 . 15975 1 104 . 1 1 14 14 LEU CD2 C 13 24.765 0.2 . 1 . . . . 14 LEU CD2 . 15975 1 105 . 1 1 14 14 LEU CG C 13 27.209 0.2 . 1 . . . . 14 LEU CG . 15975 1 106 . 1 1 14 14 LEU N N 15 121.513 0.2 . 1 . . . . 14 LEU N . 15975 1 107 . 1 1 15 15 VAL H H 1 8.026 0.02 . 1 . . . . 15 VAL HN . 15975 1 108 . 1 1 15 15 VAL HA H 1 4.132 0.02 . 1 . . . . 15 VAL HA . 15975 1 109 . 1 1 15 15 VAL HB H 1 2.052 0.02 . 1 . . . . 15 VAL HB . 15975 1 110 . 1 1 15 15 VAL HG11 H 1 0.851 0.02 . 1 . . . . 15 VAL HG1 . 15975 1 111 . 1 1 15 15 VAL HG12 H 1 0.851 0.02 . 1 . . . . 15 VAL HG1 . 15975 1 112 . 1 1 15 15 VAL HG13 H 1 0.851 0.02 . 1 . . . . 15 VAL HG1 . 15975 1 113 . 1 1 15 15 VAL HG21 H 1 1.019 0.02 . 1 . . . . 15 VAL HG2 . 15975 1 114 . 1 1 15 15 VAL HG22 H 1 1.019 0.02 . 1 . . . . 15 VAL HG2 . 15975 1 115 . 1 1 15 15 VAL HG23 H 1 1.019 0.02 . 1 . . . . 15 VAL HG2 . 15975 1 116 . 1 1 15 15 VAL CA C 13 59.783 0.2 . 1 . . . . 15 VAL CA . 15975 1 117 . 1 1 15 15 VAL CB C 13 32.986 0.2 . 1 . . . . 15 VAL CB . 15975 1 118 . 1 1 15 15 VAL CG1 C 13 18.399 0.2 . 1 . . . . 15 VAL CG1 . 15975 1 119 . 1 1 15 15 VAL CG2 C 13 20.502 0.2 . 1 . . . . 15 VAL CG2 . 15975 1 120 . 1 1 15 15 VAL N N 15 122.213 0.2 . 1 . . . . 15 VAL N . 15975 1 121 . 1 1 16 16 PRO HA H 1 4.424 0.02 . 1 . . . . 16 PRO HA . 15975 1 122 . 1 1 16 16 PRO HB2 H 1 1.955 0.02 . 2 . . . . 16 PRO HB2 . 15975 1 123 . 1 1 16 16 PRO HB3 H 1 2.311 0.02 . 2 . . . . 16 PRO HB3 . 15975 1 124 . 1 1 16 16 PRO HD2 H 1 3.675 0.02 . 2 . . . . 16 PRO HD2 . 15975 1 125 . 1 1 16 16 PRO HD3 H 1 3.957 0.02 . 2 . . . . 16 PRO HD3 . 15975 1 126 . 1 1 16 16 PRO HG2 H 1 2.039 0.02 . 2 . . . . 16 PRO HG2 . 15975 1 127 . 1 1 16 16 PRO HG3 H 1 2.039 0.02 . 2 . . . . 16 PRO HG3 . 15975 1 128 . 1 1 16 16 PRO C C 13 176.808 0.2 . 1 . . . . 16 PRO C . 15975 1 129 . 1 1 16 16 PRO CA C 13 63.1 0.2 . 1 . . . . 16 PRO CA . 15975 1 130 . 1 1 16 16 PRO CB C 13 31.93 0.2 . 1 . . . . 16 PRO CB . 15975 1 131 . 1 1 16 16 PRO CD C 13 51.038 0.2 . 1 . . . . 16 PRO CD . 15975 1 132 . 1 1 16 16 PRO CG C 13 27.337 0.02 . 1 . . . . 16 PRO CG . 15975 1 133 . 1 1 17 17 ARG H H 1 8.348 0.02 . 1 . . . . 17 ARG HN . 15975 1 134 . 1 1 17 17 ARG HA H 1 4.311 0.02 . 2 . . . . 17 ARG HA . 15975 1 135 . 1 1 17 17 ARG HB2 H 1 1.804 0.02 . 2 . . . . 17 ARG HB2 . 15975 1 136 . 1 1 17 17 ARG HB3 H 1 1.882 0.02 . 2 . . . . 17 ARG HB3 . 15975 1 137 . 1 1 17 17 ARG HD2 H 1 3.25 0.02 . 2 . . . . 17 ARG HD2 . 15975 1 138 . 1 1 17 17 ARG HD3 H 1 3.25 0.02 . 2 . . . . 17 ARG HD3 . 15975 1 139 . 1 1 17 17 ARG HG2 H 1 1.732 0.02 . 2 . . . . 17 ARG HG2 . 15975 1 140 . 1 1 17 17 ARG HG3 H 1 1.732 0.02 . 2 . . . . 17 ARG HG3 . 15975 1 141 . 1 1 17 17 ARG C C 13 176.904 0.2 . 1 . . . . 17 ARG C . 15975 1 142 . 1 1 17 17 ARG CA C 13 56.496 0.2 . 1 . . . . 17 ARG CA . 15975 1 143 . 1 1 17 17 ARG CB C 13 31.049 0.2 . 1 . . . . 17 ARG CB . 15975 1 144 . 1 1 17 17 ARG CD C 13 43.498 0.2 . 1 . . . . 17 ARG CD . 15975 1 145 . 1 1 17 17 ARG CG C 13 27.282 0.2 . 1 . . . . 17 ARG CG . 15975 1 146 . 1 1 17 17 ARG N N 15 121.576 0.2 . 1 . . . . 17 ARG N . 15975 1 147 . 1 1 18 18 GLY H H 1 8.4 0.02 . 1 . . . . 18 GLY HN . 15975 1 148 . 1 1 18 18 GLY HA2 H 1 3.955 0.02 . 1 . . . . 18 GLY HA2 . 15975 1 149 . 1 1 18 18 GLY C C 13 173.986 0.2 . 1 . . . . 18 GLY C . 15975 1 150 . 1 1 18 18 GLY CA C 13 45.343 0.2 . 1 . . . . 18 GLY CA . 15975 1 151 . 1 1 18 18 GLY N N 15 109.754 0.2 . 1 . . . . 18 GLY N . 15975 1 152 . 1 1 19 19 SER H H 1 8.096 0.02 . 1 . . . . 19 SER HN . 15975 1 153 . 1 1 19 19 SER HA H 1 4.421 0.02 . 1 . . . . 19 SER HA . 15975 1 154 . 1 1 19 19 SER HB2 H 1 3.837 0.02 . 2 . . . . 19 SER HB2 . 15975 1 155 . 1 1 19 19 SER HB3 H 1 3.837 0.02 . 2 . . . . 19 SER HB3 . 15975 1 156 . 1 1 19 19 SER C C 13 174.459 0.2 . 1 . . . . 19 SER C . 15975 1 157 . 1 1 19 19 SER CA C 13 58.433 0.2 . 1 . . . . 19 SER CA . 15975 1 158 . 1 1 19 19 SER CB C 13 63.951 0.2 . 1 . . . . 19 SER CB . 15975 1 159 . 1 1 19 19 SER N N 15 114.899 0.2 . 1 . . . . 19 SER N . 15975 1 160 . 1 1 20 20 HIS H H 1 8.508 0.02 . 1 . . . . 20 HIS HN . 15975 1 161 . 1 1 20 20 HIS HA H 1 4.769 0.02 . 1 . . . . 20 HIS HA . 15975 1 162 . 1 1 20 20 HIS HB2 H 1 3.133 0.02 . 2 . . . . 20 HIS HB2 . 15975 1 163 . 1 1 20 20 HIS HB3 H 1 3.353 0.02 . 2 . . . . 20 HIS HB3 . 15975 1 164 . 1 1 20 20 HIS C C 13 174.03 0.2 . 1 . . . . 20 HIS C . 15975 1 165 . 1 1 20 20 HIS CA C 13 55.586 0.2 . 1 . . . . 20 HIS CA . 15975 1 166 . 1 1 20 20 HIS CB C 13 28.672 0.2 . 1 . . . . 20 HIS CB . 15975 1 167 . 1 1 20 20 HIS N N 15 119.714 0.2 . 1 . . . . 20 HIS N . 15975 1 168 . 1 1 21 21 MET H H 1 8.262 0.02 . 1 . . . . 21 MET HN . 15975 1 169 . 1 1 21 21 MET HA H 1 4.421 0.02 . 1 . . . . 21 MET HA . 15975 1 170 . 1 1 21 21 MET HB2 H 1 1.974 0.02 . 2 . . . . 21 MET HB2 . 15975 1 171 . 1 1 21 21 MET HG2 H 1 2.546 0.02 . 2 . . . . 21 MET HG2 . 15975 1 172 . 1 1 21 21 MET HG3 H 1 2.546 0.02 . 2 . . . . 21 MET HG3 . 15975 1 173 . 1 1 21 21 MET C C 13 176.806 0.2 . 1 . . . . 21 MET C . 15975 1 174 . 1 1 21 21 MET CA C 13 55.939 0.2 . 1 . . . . 21 MET CA . 15975 1 175 . 1 1 21 21 MET CB C 13 32.957 0.2 . 1 . . . . 21 MET CB . 15975 1 176 . 1 1 21 21 MET CE C 13 18.15 0.2 . 1 . . . . 21 MET CE . 15975 1 177 . 1 1 21 21 MET CG C 13 32.088 0.2 . 1 . . . . 21 MET CG . 15975 1 178 . 1 1 21 21 MET N N 15 120.451 0.2 . 1 . . . . 21 MET N . 15975 1 179 . 1 1 22 22 LEU H H 1 8.101 0.02 . 1 . . . . 22 LEU HN . 15975 1 180 . 1 1 22 22 LEU HA H 1 4.3 0.02 . 1 . . . . 22 LEU HA . 15975 1 181 . 1 1 22 22 LEU HB2 H 1 1.599 0.02 . 2 . . . . 22 LEU HB2 . 15975 1 182 . 1 1 22 22 LEU HB3 H 1 1.599 0.02 . 2 . . . . 22 LEU HB3 . 15975 1 183 . 1 1 22 22 LEU HD11 H 1 0.906 0.02 . 1 . . . . 22 LEU HD1 . 15975 1 184 . 1 1 22 22 LEU HD12 H 1 0.906 0.02 . 1 . . . . 22 LEU HD1 . 15975 1 185 . 1 1 22 22 LEU HD13 H 1 0.906 0.02 . 1 . . . . 22 LEU HD1 . 15975 1 186 . 1 1 22 22 LEU HD21 H 1 0.972 0.02 . 1 . . . . 22 LEU HD2 . 15975 1 187 . 1 1 22 22 LEU HD22 H 1 0.972 0.02 . 1 . . . . 22 LEU HD2 . 15975 1 188 . 1 1 22 22 LEU HD23 H 1 0.972 0.02 . 1 . . . . 22 LEU HD2 . 15975 1 189 . 1 1 22 22 LEU HG H 1 1.608 0.02 . 1 . . . . 22 LEU HG . 15975 1 190 . 1 1 22 22 LEU C C 13 176.518 0.2 . 1 . . . . 22 LEU C . 15975 1 191 . 1 1 22 22 LEU CA C 13 54.882 0.2 . 1 . . . . 22 LEU CA . 15975 1 192 . 1 1 22 22 LEU CB C 13 42.907 0.2 . 1 . . . . 22 LEU CB . 15975 1 193 . 1 1 22 22 LEU CD1 C 13 23.54 0.2 . 1 . . . . 22 LEU CD1 . 15975 1 194 . 1 1 22 22 LEU CD2 C 13 24.714 0.2 . 1 . . . . 22 LEU CD2 . 15975 1 195 . 1 1 22 22 LEU CG C 13 27.282 0.2 . 1 . . . . 22 LEU CG . 15975 1 196 . 1 1 22 22 LEU N N 15 122.425 0.2 . 1 . . . . 22 LEU N . 15975 1 197 . 1 1 23 23 GLU H H 1 8.104 0.02 . 1 . . . . 23 GLU HN . 15975 1 198 . 1 1 23 23 GLU HA H 1 4.421 0.02 . 1 . . . . 23 GLU HA . 15975 1 199 . 1 1 23 23 GLU HB2 H 1 1.963 0.02 . 2 . . . . 23 GLU HB2 . 15975 1 200 . 1 1 23 23 GLU HB3 H 1 2.058 0.02 . 2 . . . . 23 GLU HB3 . 15975 1 201 . 1 1 23 23 GLU HG2 H 1 2.428 0.02 . 1 . . . . 23 GLU HG2 . 15975 1 202 . 1 1 23 23 GLU C C 13 175.035 0.2 . 1 . . . . 23 GLU C . 15975 1 203 . 1 1 23 23 GLU CA C 13 55.439 0.2 . 1 . . . . 23 GLU CA . 15975 1 204 . 1 1 23 23 GLU CB C 13 29.112 0.2 . 1 . . . . 23 GLU CB . 15975 1 205 . 1 1 23 23 GLU CG C 13 32.859 0.2 . 1 . . . . 23 GLU CG . 15975 1 206 . 1 1 23 23 GLU N N 15 120.383 0.2 . 1 . . . . 23 GLU N . 15975 1 207 . 1 1 24 24 LEU H H 1 8.002 0.02 . 1 . . . . 24 LEU HN . 15975 1 208 . 1 1 24 24 LEU HA H 1 4.418 0.02 . 1 . . . . 24 LEU HA . 15975 1 209 . 1 1 24 24 LEU HB2 H 1 1.85 0.02 . 2 . . . . 24 LEU HB2 . 15975 1 210 . 1 1 24 24 LEU HB3 H 1 1.85 0.02 . 2 . . . . 24 LEU HB3 . 15975 1 211 . 1 1 24 24 LEU HD21 H 1 1.018 0.02 . 1 . . . . 24 LEU HD2 . 15975 1 212 . 1 1 24 24 LEU HD22 H 1 1.018 0.02 . 1 . . . . 24 LEU HD2 . 15975 1 213 . 1 1 24 24 LEU HD23 H 1 1.018 0.02 . 1 . . . . 24 LEU HD2 . 15975 1 214 . 1 1 24 24 LEU HG H 1 1.602 0.02 . 1 . . . . 24 LEU HG . 15975 1 215 . 1 1 24 24 LEU CA C 13 55.205 0.2 . 1 . . . . 24 LEU CA . 15975 1 216 . 1 1 24 24 LEU CB C 13 42.232 0.2 . 1 . . . . 24 LEU CB . 15975 1 217 . 1 1 24 24 LEU CD1 C 13 23.123 0.2 . 1 . . . . 24 LEU CD1 . 15975 1 218 . 1 1 24 24 LEU CD2 C 13 24.994 0.2 . 1 . . . . 24 LEU CD2 . 15975 1 219 . 1 1 24 24 LEU CG C 13 27.415 0.2 . 1 . . . . 24 LEU CG . 15975 1 220 . 1 1 24 24 LEU N N 15 123.449 0.2 . 1 . . . . 24 LEU N . 15975 1 221 . 1 1 25 25 PRO HA H 1 4.431 0.02 . 1 . . . . 25 PRO HA . 15975 1 222 . 1 1 25 25 PRO HB2 H 1 1.962 0.02 . 2 . . . . 25 PRO HB2 . 15975 1 223 . 1 1 25 25 PRO HB3 H 1 2.193 0.02 . 2 . . . . 25 PRO HB3 . 15975 1 224 . 1 1 25 25 PRO HD2 H 1 3.6 0.02 . 1 . . . . 25 PRO HD2 . 15975 1 225 . 1 1 25 25 PRO HG2 H 1 2.022 0.02 . 2 . . . . 25 PRO HG2 . 15975 1 226 . 1 1 25 25 PRO HG3 H 1 2.022 0.02 . 2 . . . . 25 PRO HG3 . 15975 1 227 . 1 1 25 25 PRO C C 13 177.007 0.2 . 1 . . . . 25 PRO C . 15975 1 228 . 1 1 25 25 PRO CA C 13 63.419 0.2 . 1 . . . . 25 PRO CA . 15975 1 229 . 1 1 25 25 PRO CB C 13 31.192 0.2 . 1 . . . . 25 PRO CB . 15975 1 230 . 1 1 25 25 PRO CD C 13 50.399 0.2 . 1 . . . . 25 PRO CD . 15975 1 231 . 1 1 25 25 PRO CG C 13 27.33 0.2 . 1 . . . . 25 PRO CG . 15975 1 232 . 1 1 26 26 LEU H H 1 8.005 0.02 . 1 . . . . 26 LEU HN . 15975 1 233 . 1 1 26 26 LEU HA H 1 4.303 0.02 . 1 . . . . 26 LEU HA . 15975 1 234 . 1 1 26 26 LEU HB2 H 1 1.607 0.02 . 2 . . . . 26 LEU HB2 . 15975 1 235 . 1 1 26 26 LEU HB3 H 1 1.607 0.02 . 2 . . . . 26 LEU HB3 . 15975 1 236 . 1 1 26 26 LEU HD11 H 1 0.895 0.02 . 1 . . . . 26 LEU HD1 . 15975 1 237 . 1 1 26 26 LEU HD12 H 1 0.895 0.02 . 1 . . . . 26 LEU HD1 . 15975 1 238 . 1 1 26 26 LEU HD13 H 1 0.895 0.02 . 1 . . . . 26 LEU HD1 . 15975 1 239 . 1 1 26 26 LEU HD21 H 1 0.965 0.02 . 1 . . . . 26 LEU HD2 . 15975 1 240 . 1 1 26 26 LEU HD22 H 1 0.965 0.02 . 1 . . . . 26 LEU HD2 . 15975 1 241 . 1 1 26 26 LEU HD23 H 1 0.965 0.02 . 1 . . . . 26 LEU HD2 . 15975 1 242 . 1 1 26 26 LEU HG H 1 1.588 0.02 . 2 . . . . 26 LEU HG . 15975 1 243 . 1 1 26 26 LEU C C 13 177.218 0.2 . 1 . . . . 26 LEU C . 15975 1 244 . 1 1 26 26 LEU CA C 13 55.44 0.2 . 1 . . . . 26 LEU CA . 15975 1 245 . 1 1 26 26 LEU CB C 13 42.379 0.2 . 1 . . . . 26 LEU CB . 15975 1 246 . 1 1 26 26 LEU CD1 C 13 23.577 0.2 . 1 . . . . 26 LEU CD1 . 15975 1 247 . 1 1 26 26 LEU CD2 C 13 24.677 0.2 . 1 . . . . 26 LEU CD2 . 15975 1 248 . 1 1 26 26 LEU CG C 13 27.209 0.2 . 1 . . . . 26 LEU CG . 15975 1 249 . 1 1 26 26 LEU N N 15 121.15 0.2 . 1 . . . . 26 LEU N . 15975 1 250 . 1 1 27 27 ASP H H 1 8.275 0.02 . 1 . . . . 27 ASP HN . 15975 1 251 . 1 1 27 27 ASP HA H 1 4.542 0.02 . 1 . . . . 27 ASP HA . 15975 1 252 . 1 1 27 27 ASP HB2 H 1 1.952 0.02 . 2 . . . . 27 ASP HB2 . 15975 1 253 . 1 1 27 27 ASP HB3 H 1 2.201 0.02 . 2 . . . . 27 ASP HB3 . 15975 1 254 . 1 1 27 27 ASP C C 13 176.597 0.2 . 1 . . . . 27 ASP C . 15975 1 255 . 1 1 27 27 ASP CA C 13 53.414 0.2 . 1 . . . . 27 ASP CA . 15975 1 256 . 1 1 27 27 ASP CB C 13 38.974 0.2 . 1 . . . . 27 ASP CB . 15975 1 257 . 1 1 27 27 ASP N N 15 118.835 0.2 . 1 . . . . 27 ASP N . 15975 1 258 . 1 1 28 28 SER H H 1 8.282 0.02 . 1 . . . . 28 SER HN . 15975 1 259 . 1 1 28 28 SER HA H 1 4.322 0.02 . 1 . . . . 28 SER HA . 15975 1 260 . 1 1 28 28 SER HB2 H 1 3.951 0.02 . 2 . . . . 28 SER HB2 . 15975 1 261 . 1 1 28 28 SER HB3 H 1 3.951 0.02 . 2 . . . . 28 SER HB3 . 15975 1 262 . 1 1 28 28 SER C C 13 174.984 0.2 . 1 . . . . 28 SER C . 15975 1 263 . 1 1 28 28 SER CA C 13 59.725 0.2 . 1 . . . . 28 SER CA . 15975 1 264 . 1 1 28 28 SER CB C 13 63.482 0.2 . 1 . . . . 28 SER CB . 15975 1 265 . 1 1 28 28 SER N N 15 116.308 0.2 . 1 . . . . 28 SER N . 15975 1 266 . 1 1 29 29 ALA H H 1 8.287 0.02 . 1 . . . . 29 ALA HN . 15975 1 267 . 1 1 29 29 ALA HA H 1 4.306 0.02 . 1 . . . . 29 ALA HA . 15975 1 268 . 1 1 29 29 ALA HB1 H 1 1.489 0.02 . 1 . . . . 29 ALA HB . 15975 1 269 . 1 1 29 29 ALA HB2 H 1 1.489 0.02 . 1 . . . . 29 ALA HB . 15975 1 270 . 1 1 29 29 ALA HB3 H 1 1.489 0.02 . 1 . . . . 29 ALA HB . 15975 1 271 . 1 1 29 29 ALA C C 13 177.416 0.2 . 1 . . . . 29 ALA C . 15975 1 272 . 1 1 29 29 ALA CA C 13 54.144 0.2 . 1 . . . . 29 ALA CA . 15975 1 273 . 1 1 29 29 ALA CB C 13 18.6 0.2 . 1 . . . . 29 ALA CB . 15975 1 274 . 1 1 29 29 ALA N N 15 124.907 0.2 . 1 . . . . 29 ALA N . 15975 1 275 . 1 1 30 30 THR H H 1 8.107 0.02 . 1 . . . . 30 THR HN . 15975 1 276 . 1 1 30 30 THR HA H 1 4.3 0.02 . 1 . . . . 30 THR HA . 15975 1 277 . 1 1 30 30 THR HB H 1 4.19 0.02 . 1 . . . . 30 THR HB . 15975 1 278 . 1 1 30 30 THR HG21 H 1 1.257 0.02 . 1 . . . . 30 THR HG2 . 15975 1 279 . 1 1 30 30 THR HG22 H 1 1.257 0.02 . 1 . . . . 30 THR HG2 . 15975 1 280 . 1 1 30 30 THR HG23 H 1 1.257 0.02 . 1 . . . . 30 THR HG2 . 15975 1 281 . 1 1 30 30 THR C C 13 175.822 0.2 . 1 . . . . 30 THR C . 15975 1 282 . 1 1 30 30 THR CA C 13 64.627 0.2 . 1 . . . . 30 THR CA . 15975 1 283 . 1 1 30 30 THR CB C 13 69.029 0.2 . 1 . . . . 30 THR CB . 15975 1 284 . 1 1 30 30 THR CG2 C 13 21.705 0.2 . 1 . . . . 30 THR CG2 . 15975 1 285 . 1 1 30 30 THR N N 15 113.185 0.2 . 1 . . . . 30 THR N . 15975 1 286 . 1 1 31 31 THR H H 1 8.067 0.02 . 1 . . . . 31 THR HN . 15975 1 287 . 1 1 31 31 THR HA H 1 4.3 0.02 . 1 . . . . 31 THR HA . 15975 1 288 . 1 1 31 31 THR HB H 1 4.076 0.02 . 1 . . . . 31 THR HB . 15975 1 289 . 1 1 31 31 THR HG21 H 1 1.259 0.02 . 1 . . . . 31 THR HG2 . 15975 1 290 . 1 1 31 31 THR HG22 H 1 1.259 0.02 . 1 . . . . 31 THR HG2 . 15975 1 291 . 1 1 31 31 THR HG23 H 1 1.259 0.02 . 1 . . . . 31 THR HG2 . 15975 1 292 . 1 1 31 31 THR C C 13 176.013 0.2 . 1 . . . . 31 THR C . 15975 1 293 . 1 1 31 31 THR CA C 13 65.184 0.2 . 1 . . . . 31 THR CA . 15975 1 294 . 1 1 31 31 THR CB C 13 68.941 0.2 . 1 . . . . 31 THR CB . 15975 1 295 . 1 1 31 31 THR CG2 C 13 21.669 0.2 . 1 . . . . 31 THR CG2 . 15975 1 296 . 1 1 31 31 THR N N 15 115.739 0.2 . 1 . . . . 31 THR N . 15975 1 297 . 1 1 32 32 GLU H H 1 8.295 0.02 . 1 . . . . 32 GLU HN . 15975 1 298 . 1 1 32 32 GLU HA H 1 4.308 0.02 . 1 . . . . 32 GLU HA . 15975 1 299 . 1 1 32 32 GLU HB2 H 1 2.066 0.02 . 2 . . . . 32 GLU HB2 . 15975 1 300 . 1 1 32 32 GLU HB3 H 1 2.153 0.02 . 2 . . . . 32 GLU HB3 . 15975 1 301 . 1 1 32 32 GLU HG2 H 1 2.51 0.02 . 1 . . . . 32 GLU HG2 . 15975 1 302 . 1 1 32 32 GLU C C 13 177.233 0.2 . 1 . . . . 32 GLU C . 15975 1 303 . 1 1 32 32 GLU CA C 13 58.429 0.2 . 1 . . . . 32 GLU CA . 15975 1 304 . 1 1 32 32 GLU CB C 13 28.521 0.2 . 1 . . . . 32 GLU CB . 15975 1 305 . 1 1 32 32 GLU CG C 13 32.926 0.2 . 1 . . . . 32 GLU CG . 15975 1 306 . 1 1 32 32 GLU N N 15 120.895 0.2 . 1 . . . . 32 GLU N . 15975 1 307 . 1 1 33 33 SER H H 1 8.18 0.02 . 1 . . . . 33 SER HN . 15975 1 308 . 1 1 33 33 SER HA H 1 4.36 0.02 . 1 . . . . 33 SER HA . 15975 1 309 . 1 1 33 33 SER HB2 H 1 3.967 0.02 . 2 . . . . 33 SER HB2 . 15975 1 310 . 1 1 33 33 SER HB3 H 1 3.967 0.02 . 2 . . . . 33 SER HB3 . 15975 1 311 . 1 1 33 33 SER C C 13 174.896 0.2 . 1 . . . . 33 SER C . 15975 1 312 . 1 1 33 33 SER CA C 13 60.366 0.2 . 1 . . . . 33 SER CA . 15975 1 313 . 1 1 33 33 SER CB C 13 62.979 0.2 . 1 . . . . 33 SER CB . 15975 1 314 . 1 1 33 33 SER N N 15 116.515 0.2 . 1 . . . . 33 SER N . 15975 1 315 . 1 1 34 34 LEU H H 1 8.132 0.02 . 1 . . . . 34 LEU HN . 15975 1 316 . 1 1 34 34 LEU HA H 1 4.072 0.02 . 1 . . . . 34 LEU HA . 15975 1 317 . 1 1 34 34 LEU HB2 H 1 1.838 0.02 . 2 . . . . 34 LEU HB2 . 15975 1 318 . 1 1 34 34 LEU HB3 H 1 1.838 0.02 . 2 . . . . 34 LEU HB3 . 15975 1 319 . 1 1 34 34 LEU HD11 H 1 0.877 0.02 . 1 . . . . 34 LEU HD1 . 15975 1 320 . 1 1 34 34 LEU HD12 H 1 0.877 0.02 . 1 . . . . 34 LEU HD1 . 15975 1 321 . 1 1 34 34 LEU HD13 H 1 0.877 0.02 . 1 . . . . 34 LEU HD1 . 15975 1 322 . 1 1 34 34 LEU HD21 H 1 0.92 0.02 . 1 . . . . 34 LEU HD2 . 15975 1 323 . 1 1 34 34 LEU HD22 H 1 0.92 0.02 . 1 . . . . 34 LEU HD2 . 15975 1 324 . 1 1 34 34 LEU HD23 H 1 0.92 0.02 . 1 . . . . 34 LEU HD2 . 15975 1 325 . 1 1 34 34 LEU HG H 1 1.603 0.02 . 1 . . . . 34 LEU HG . 15975 1 326 . 1 1 34 34 LEU C C 13 178.939 0.2 . 1 . . . . 34 LEU C . 15975 1 327 . 1 1 34 34 LEU CA C 13 57.23 0.2 . 1 . . . . 34 LEU CA . 15975 1 328 . 1 1 34 34 LEU CB C 13 41.821 0.2 . 1 . . . . 34 LEU CB . 15975 1 329 . 1 1 34 34 LEU CD1 C 13 22.836 0.2 . 1 . . . . 34 LEU CD1 . 15975 1 330 . 1 1 34 34 LEU CD2 C 13 24.814 0.2 . 1 . . . . 34 LEU CD2 . 15975 1 331 . 1 1 34 34 LEU CG C 13 26.702 0.2 . 1 . . . . 34 LEU CG . 15975 1 332 . 1 1 34 34 LEU N N 15 123.72 0.2 . 1 . . . . 34 LEU N . 15975 1 333 . 1 1 35 35 ARG H H 1 7.674 0.02 . 1 . . . . 35 ARG HN . 15975 1 334 . 1 1 35 35 ARG HA H 1 4.193 0.02 . 1 . . . . 35 ARG HA . 15975 1 335 . 1 1 35 35 ARG HB2 H 1 1.951 0.02 . 1 . . . . 35 ARG HB2 . 15975 1 336 . 1 1 35 35 ARG HB3 H 1 2.175 0.02 . 1 . . . . 35 ARG HB3 . 15975 1 337 . 1 1 35 35 ARG HD2 H 1 3.195 0.02 . 2 . . . . 35 ARG HD2 . 15975 1 338 . 1 1 35 35 ARG HD3 H 1 3.195 0.02 . 2 . . . . 35 ARG HD3 . 15975 1 339 . 1 1 35 35 ARG HG2 H 1 1.714 0.02 . 2 . . . . 35 ARG HG2 . 15975 1 340 . 1 1 35 35 ARG HG3 H 1 1.714 0.02 . 2 . . . . 35 ARG HG3 . 15975 1 341 . 1 1 35 35 ARG C C 13 176.613 0.2 . 1 . . . . 35 ARG C . 15975 1 342 . 1 1 35 35 ARG CA C 13 54.76 0.2 . 1 . . . . 35 ARG CA . 15975 1 343 . 1 1 35 35 ARG CB C 13 29.988 0.2 . 1 . . . . 35 ARG CB . 15975 1 344 . 1 1 35 35 ARG CD C 13 41.692 0.2 . 1 . . . . 35 ARG CD . 15975 1 345 . 1 1 35 35 ARG CG C 13 24.102 0.2 . 1 . . . . 35 ARG CG . 15975 1 346 . 1 1 35 35 ARG N N 15 117.577 0.2 . 1 . . . . 35 ARG N . 15975 1 347 . 1 1 36 36 ALA H H 1 8.205 0.02 . 1 . . . . 36 ALA HN . 15975 1 348 . 1 1 36 36 ALA HA H 1 4.178 0.02 . 1 . . . . 36 ALA HA . 15975 1 349 . 1 1 36 36 ALA HB1 H 1 1.478 0.02 . 1 . . . . 36 ALA HB . 15975 1 350 . 1 1 36 36 ALA HB2 H 1 1.478 0.02 . 1 . . . . 36 ALA HB . 15975 1 351 . 1 1 36 36 ALA HB3 H 1 1.478 0.02 . 1 . . . . 36 ALA HB . 15975 1 352 . 1 1 36 36 ALA C C 13 177.814 0.2 . 1 . . . . 36 ALA C . 15975 1 353 . 1 1 36 36 ALA CA C 13 54.438 0.2 . 1 . . . . 36 ALA CA . 15975 1 354 . 1 1 36 36 ALA CB C 13 18.101 0.2 . 1 . . . . 36 ALA CB . 15975 1 355 . 1 1 36 36 ALA N N 15 120.803 0.2 . 1 . . . . 36 ALA N . 15975 1 356 . 1 1 37 37 ALA H H 1 8.17 0.02 . 1 . . . . 37 ALA HN . 15975 1 357 . 1 1 37 37 ALA HA H 1 4.189 0.02 . 1 . . . . 37 ALA HA . 15975 1 358 . 1 1 37 37 ALA HB1 H 1 1.489 0.02 . 1 . . . . 37 ALA HB . 15975 1 359 . 1 1 37 37 ALA HB2 H 1 1.489 0.02 . 1 . . . . 37 ALA HB . 15975 1 360 . 1 1 37 37 ALA HB3 H 1 1.489 0.02 . 1 . . . . 37 ALA HB . 15975 1 361 . 1 1 37 37 ALA C C 13 177.802 0.2 . 1 . . . . 37 ALA C . 15975 1 362 . 1 1 37 37 ALA CA C 13 52.911 0.2 . 1 . . . . 37 ALA CA . 15975 1 363 . 1 1 37 37 ALA CB C 13 18.219 0.2 . 1 . . . . 37 ALA CB . 15975 1 364 . 1 1 37 37 ALA N N 15 120.744 0.2 . 1 . . . . 37 ALA N . 15975 1 365 . 1 1 38 38 THR H H 1 8.07 0.02 . 1 . . . . 38 THR HN . 15975 1 366 . 1 1 38 38 THR HA H 1 4.307 0.02 . 1 . . . . 38 THR HA . 15975 1 367 . 1 1 38 38 THR HB H 1 3.971 0.02 . 1 . . . . 38 THR HB . 15975 1 368 . 1 1 38 38 THR HG21 H 1 1.243 0.02 . 1 . . . . 38 THR HG2 . 15975 1 369 . 1 1 38 38 THR HG22 H 1 1.243 0.02 . 1 . . . . 38 THR HG2 . 15975 1 370 . 1 1 38 38 THR HG23 H 1 1.243 0.02 . 1 . . . . 38 THR HG2 . 15975 1 371 . 1 1 38 38 THR C C 13 175.675 0.2 . 1 . . . . 38 THR C . 15975 1 372 . 1 1 38 38 THR CA C 13 61.555 0.2 . 1 . . . . 38 THR CA . 15975 1 373 . 1 1 38 38 THR CB C 13 69.626 0.2 . 1 . . . . 38 THR CB . 15975 1 374 . 1 1 38 38 THR CG2 C 13 21.045 0.2 . 1 . . . . 38 THR CG2 . 15975 1 375 . 1 1 38 38 THR N N 15 111.315 0.2 . 1 . . . . 38 THR N . 15975 1 376 . 1 1 39 39 HIS H H 1 8.181 0.02 . 1 . . . . 39 HIS HN . 15975 1 377 . 1 1 39 39 HIS HA H 1 4.302 0.02 . 1 . . . . 39 HIS HA . 15975 1 378 . 1 1 39 39 HIS HB2 H 1 3.233 0.02 . 2 . . . . 39 HIS HB2 . 15975 1 379 . 1 1 39 39 HIS HB3 H 1 3.375 0.02 . 2 . . . . 39 HIS HB3 . 15975 1 380 . 1 1 39 39 HIS C C 13 175.6 0.2 . 1 . . . . 39 HIS C . 15975 1 381 . 1 1 39 39 HIS CA C 13 55.905 0.2 . 1 . . . . 39 HIS CA . 15975 1 382 . 1 1 39 39 HIS CB C 13 30.517 0.2 . 1 . . . . 39 HIS CB . 15975 1 383 . 1 1 39 39 HIS N N 15 119.019 0.2 . 1 . . . . 39 HIS N . 15975 1 384 . 1 1 40 40 ASP H H 1 8.304 0.02 . 1 . . . . 40 ASP HN . 15975 1 385 . 1 1 40 40 ASP HA H 1 4.773 0.02 . 1 . . . . 40 ASP HA . 15975 1 386 . 1 1 40 40 ASP HB3 H 1 1.915 0.02 . 2 . . . . 40 ASP HB3 . 15975 1 387 . 1 1 40 40 ASP C C 13 175.675 0.2 . 1 . . . . 40 ASP C . 15975 1 388 . 1 1 40 40 ASP CA C 13 52.827 0.2 . 1 . . . . 40 ASP CA . 15975 1 389 . 1 1 40 40 ASP CB C 13 38.387 0.2 . 1 . . . . 40 ASP CB . 15975 1 390 . 1 1 40 40 ASP N N 15 118.315 0.2 . 1 . . . . 40 ASP N . 15975 1 391 . 1 1 41 41 VAL H H 1 7.876 0.02 . 1 . . . . 41 VAL HN . 15975 1 392 . 1 1 41 41 VAL HA H 1 4.065 0.02 . 1 . . . . 41 VAL HA . 15975 1 393 . 1 1 41 41 VAL HB H 1 2.105 0.02 . 1 . . . . 41 VAL HB . 15975 1 394 . 1 1 41 41 VAL HG11 H 1 0.91 0.02 . 1 . . . . 41 VAL HG1 . 15975 1 395 . 1 1 41 41 VAL HG12 H 1 0.91 0.02 . 1 . . . . 41 VAL HG1 . 15975 1 396 . 1 1 41 41 VAL HG13 H 1 0.91 0.02 . 1 . . . . 41 VAL HG1 . 15975 1 397 . 1 1 41 41 VAL HG21 H 1 1.044 0.02 . 1 . . . . 41 VAL HG2 . 15975 1 398 . 1 1 41 41 VAL HG22 H 1 1.044 0.02 . 1 . . . . 41 VAL HG2 . 15975 1 399 . 1 1 41 41 VAL HG23 H 1 1.044 0.02 . 1 . . . . 41 VAL HG2 . 15975 1 400 . 1 1 41 41 VAL C C 13 177.516 0.2 . 1 . . . . 41 VAL C . 15975 1 401 . 1 1 41 41 VAL CA C 13 65.272 0.2 . 1 . . . . 41 VAL CA . 15975 1 402 . 1 1 41 41 VAL CB C 13 32.018 0.2 . 1 . . . . 41 VAL CB . 15975 1 403 . 1 1 41 41 VAL CG1 C 13 19.151 0.2 . 1 . . . . 41 VAL CG1 . 15975 1 404 . 1 1 41 41 VAL CG2 C 13 21.084 0.2 . 1 . . . . 41 VAL CG2 . 15975 1 405 . 1 1 41 41 VAL N N 15 120.706 0.2 . 1 . . . . 41 VAL N . 15975 1 406 . 1 1 42 42 LEU H H 1 8.149 0.02 . 1 . . . . 42 LEU HN . 15975 1 407 . 1 1 42 42 LEU HA H 1 4.193 0.02 . 1 . . . . 42 LEU HA . 15975 1 408 . 1 1 42 42 LEU HB2 H 1 1.713 0.02 . 2 . . . . 42 LEU HB2 . 15975 1 409 . 1 1 42 42 LEU HB3 H 1 1.713 0.02 . 2 . . . . 42 LEU HB3 . 15975 1 410 . 1 1 42 42 LEU HD11 H 1 0.907 0.02 . 1 . . . . 42 LEU HD1 . 15975 1 411 . 1 1 42 42 LEU HD12 H 1 0.907 0.02 . 1 . . . . 42 LEU HD1 . 15975 1 412 . 1 1 42 42 LEU HD13 H 1 0.907 0.02 . 1 . . . . 42 LEU HD1 . 15975 1 413 . 1 1 42 42 LEU HD21 H 1 1.135 0.02 . 1 . . . . 42 LEU HD2 . 15975 1 414 . 1 1 42 42 LEU HD22 H 1 1.135 0.02 . 1 . . . . 42 LEU HD2 . 15975 1 415 . 1 1 42 42 LEU HD23 H 1 1.135 0.02 . 1 . . . . 42 LEU HD2 . 15975 1 416 . 1 1 42 42 LEU HG H 1 1.557 0.02 . 1 . . . . 42 LEU HG . 15975 1 417 . 1 1 42 42 LEU C C 13 179.4 0.2 . 1 . . . . 42 LEU C . 15975 1 418 . 1 1 42 42 LEU CA C 13 54.731 0.2 . 1 . . . . 42 LEU CA . 15975 1 419 . 1 1 42 42 LEU CB C 13 41.729 0.2 . 1 . . . . 42 LEU CB . 15975 1 420 . 1 1 42 42 LEU CD1 C 13 23.358 0.2 . 1 . . . . 42 LEU CD1 . 15975 1 421 . 1 1 42 42 LEU CD2 C 13 24.121 0.2 . 1 . . . . 42 LEU CD2 . 15975 1 422 . 1 1 42 42 LEU CG C 13 26.763 0.2 . 1 . . . . 42 LEU CG . 15975 1 423 . 1 1 42 42 LEU N N 15 121.324 0.2 . 1 . . . . 42 LEU N . 15975 1 424 . 1 1 43 43 ALA H H 1 8.198 0.02 . 1 . . . . 43 ALA HN . 15975 1 425 . 1 1 43 43 ALA HA H 1 4.072 0.02 . 1 . . . . 43 ALA HA . 15975 1 426 . 1 1 43 43 ALA HB1 H 1 1.368 0.02 . 1 . . . . 43 ALA HB . 15975 1 427 . 1 1 43 43 ALA HB2 H 1 1.368 0.02 . 1 . . . . 43 ALA HB . 15975 1 428 . 1 1 43 43 ALA HB3 H 1 1.368 0.02 . 1 . . . . 43 ALA HB . 15975 1 429 . 1 1 43 43 ALA C C 13 179.551 0.2 . 1 . . . . 43 ALA C . 15975 1 430 . 1 1 43 43 ALA CA C 13 54.706 0.2 . 1 . . . . 43 ALA CA . 15975 1 431 . 1 1 43 43 ALA CB C 13 17.908 0.2 . 1 . . . . 43 ALA CB . 15975 1 432 . 1 1 43 43 ALA N N 15 120.922 0.2 . 1 . . . . 43 ALA N . 15975 1 433 . 1 1 44 44 GLY H H 1 7.985 0.02 . 1 . . . . 44 GLY HN . 15975 1 434 . 1 1 44 44 GLY HA2 H 1 3.954 0.02 . 1 . . . . 44 GLY HA2 . 15975 1 435 . 1 1 44 44 GLY C C 13 173.799 0.2 . 1 . . . . 44 GLY C . 15975 1 436 . 1 1 44 44 GLY CA C 13 46.043 0.2 . 1 . . . . 44 GLY CA . 15975 1 437 . 1 1 44 44 GLY N N 15 106.349 0.2 . 1 . . . . 44 GLY N . 15975 1 438 . 1 1 45 45 LEU H H 1 8.122 0.02 . 1 . . . . 45 LEU HN . 15975 1 439 . 1 1 45 45 LEU HA H 1 4.306 0.02 . 1 . . . . 45 LEU HA . 15975 1 440 . 1 1 45 45 LEU HB2 H 1 1.724 0.02 . 2 . . . . 45 LEU HB2 . 15975 1 441 . 1 1 45 45 LEU HB3 H 1 1.724 0.02 . 2 . . . . 45 LEU HB3 . 15975 1 442 . 1 1 45 45 LEU HD11 H 1 0.9 0.02 . 1 . . . . 45 LEU HD1 . 15975 1 443 . 1 1 45 45 LEU HD12 H 1 0.9 0.02 . 1 . . . . 45 LEU HD1 . 15975 1 444 . 1 1 45 45 LEU HD13 H 1 0.9 0.02 . 1 . . . . 45 LEU HD1 . 15975 1 445 . 1 1 45 45 LEU HD21 H 1 1.031 0.02 . 1 . . . . 45 LEU HD2 . 15975 1 446 . 1 1 45 45 LEU HD22 H 1 1.031 0.02 . 1 . . . . 45 LEU HD2 . 15975 1 447 . 1 1 45 45 LEU HD23 H 1 1.031 0.02 . 1 . . . . 45 LEU HD2 . 15975 1 448 . 1 1 45 45 LEU HG H 1 1.483 0.02 . 1 . . . . 45 LEU HG . 15975 1 449 . 1 1 45 45 LEU C C 13 177.408 0.2 . 1 . . . . 45 LEU C . 15975 1 450 . 1 1 45 45 LEU CA C 13 54.203 0.2 . 1 . . . . 45 LEU CA . 15975 1 451 . 1 1 45 45 LEU CB C 13 42.697 0.2 . 1 . . . . 45 LEU CB . 15975 1 452 . 1 1 45 45 LEU CD1 C 13 22.438 0.2 . 1 . . . . 45 LEU CD1 . 15975 1 453 . 1 1 45 45 LEU CD2 C 13 24.845 0.2 . 1 . . . . 45 LEU CD2 . 15975 1 454 . 1 1 45 45 LEU CG C 13 26.684 0.2 . 1 . . . . 45 LEU CG . 15975 1 455 . 1 1 45 45 LEU N N 15 122.679 0.2 . 1 . . . . 45 LEU N . 15975 1 456 . 1 1 46 46 THR H H 1 8.088 0.02 . 1 . . . . 46 THR HN . 15975 1 457 . 1 1 46 46 THR HA H 1 4.3 0.02 . 1 . . . . 46 THR HA . 15975 1 458 . 1 1 46 46 THR HB H 1 4.069 0.02 . 1 . . . . 46 THR HB . 15975 1 459 . 1 1 46 46 THR HG21 H 1 1.25 0.02 . 1 . . . . 46 THR HG2 . 15975 1 460 . 1 1 46 46 THR HG22 H 1 1.25 0.02 . 1 . . . . 46 THR HG2 . 15975 1 461 . 1 1 46 46 THR HG23 H 1 1.25 0.02 . 1 . . . . 46 THR HG2 . 15975 1 462 . 1 1 46 46 THR C C 13 174.888 0.2 . 1 . . . . 46 THR C . 15975 1 463 . 1 1 46 46 THR CA C 13 59.123 0.2 . 1 . . . . 46 THR CA . 15975 1 464 . 1 1 46 46 THR CB C 13 65.228 0.2 . 1 . . . . 46 THR CB . 15975 1 465 . 1 1 46 46 THR CG2 C 13 21.02 0.2 . 1 . . . . 46 THR CG2 . 15975 1 466 . 1 1 46 46 THR N N 15 113.007 0.2 . 1 . . . . 46 THR N . 15975 1 467 . 1 1 47 47 ALA H H 1 8.147 0.02 . 1 . . . . 47 ALA HN . 15975 1 468 . 1 1 47 47 ALA HA H 1 4.076 0.02 . 1 . . . . 47 ALA HA . 15975 1 469 . 1 1 47 47 ALA HB1 H 1 1.489 0.02 . 1 . . . . 47 ALA HB . 15975 1 470 . 1 1 47 47 ALA HB2 H 1 1.489 0.02 . 1 . . . . 47 ALA HB . 15975 1 471 . 1 1 47 47 ALA HB3 H 1 1.489 0.02 . 1 . . . . 47 ALA HB . 15975 1 472 . 1 1 47 47 ALA C C 13 177.019 0.2 . 1 . . . . 47 ALA C . 15975 1 473 . 1 1 47 47 ALA CA C 13 54.764 0.2 . 1 . . . . 47 ALA CA . 15975 1 474 . 1 1 47 47 ALA CB C 13 18.017 0.2 . 1 . . . . 47 ALA CB . 15975 1 475 . 1 1 47 47 ALA N N 15 122.333 0.2 . 1 . . . . 47 ALA N . 15975 1 476 . 1 1 48 48 ARG H H 1 8.194 0.02 . 1 . . . . 48 ARG HN . 15975 1 477 . 1 1 48 48 ARG HA H 1 4.174 0.02 . 1 . . . . 48 ARG HA . 15975 1 478 . 1 1 48 48 ARG HB2 H 1 2.071 0.02 . 1 . . . . 48 ARG HB2 . 15975 1 479 . 1 1 48 48 ARG HB3 H 1 2.083 0.02 . 1 . . . . 48 ARG HB3 . 15975 1 480 . 1 1 48 48 ARG HD2 H 1 3.551 0.02 . 2 . . . . 48 ARG HD2 . 15975 1 481 . 1 1 48 48 ARG HD3 H 1 3.551 0.02 . 2 . . . . 48 ARG HD3 . 15975 1 482 . 1 1 48 48 ARG HG2 H 1 1.837 0.02 . 2 . . . . 48 ARG HG2 . 15975 1 483 . 1 1 48 48 ARG HG3 H 1 1.837 0.02 . 2 . . . . 48 ARG HG3 . 15975 1 484 . 1 1 48 48 ARG C C 13 176.812 0.2 . 1 . . . . 48 ARG C . 15975 1 485 . 1 1 48 48 ARG CA C 13 57.994 0.2 . 1 . . . . 48 ARG CA . 15975 1 486 . 1 1 48 48 ARG CB C 13 28.54 0.2 . 1 . . . . 48 ARG CB . 15975 1 487 . 1 1 48 48 ARG CD C 13 43.528 0.2 . 1 . . . . 48 ARG CD . 15975 1 488 . 1 1 48 48 ARG CG C 13 27.886 0.2 . 1 . . . . 48 ARG CG . 15975 1 489 . 1 1 48 48 ARG N N 15 177.669 0.2 . 1 . . . . 48 ARG N . 15975 1 490 . 1 1 49 49 GLU H H 1 7.881 0.02 . 1 . . . . 49 GLU HN . 15975 1 491 . 1 1 49 49 GLU HA H 1 4.422 0.02 . 1 . . . . 49 GLU HA . 15975 1 492 . 1 1 49 49 GLU HB2 H 1 1.964 0.02 . 1 . . . . 49 GLU HB2 . 15975 1 493 . 1 1 49 49 GLU HB3 H 1 2.088 0.02 . 1 . . . . 49 GLU HB3 . 15975 1 494 . 1 1 49 49 GLU HG2 H 1 2.309 0.02 . 1 . . . . 49 GLU HG2 . 15975 1 495 . 1 1 49 49 GLU C C 13 176.494 0.2 . 1 . . . . 49 GLU C . 15975 1 496 . 1 1 49 49 GLU CA C 13 55.406 0.2 . 1 . . . . 49 GLU CA . 15975 1 497 . 1 1 49 49 GLU CB C 13 28.638 0.2 . 1 . . . . 49 GLU CB . 15975 1 498 . 1 1 49 49 GLU CG C 13 32.887 0.2 . 1 . . . . 49 GLU CG . 15975 1 499 . 1 1 49 49 GLU N N 15 119.329 0.2 . 1 . . . . 49 GLU N . 15975 1 500 . 1 1 50 50 ALA H H 1 8.383 0.02 . 1 . . . . 50 ALA HN . 15975 1 501 . 1 1 50 50 ALA HA H 1 4.069 0.02 . 1 . . . . 50 ALA HA . 15975 1 502 . 1 1 50 50 ALA HB1 H 1 1.486 0.02 . 1 . . . . 50 ALA HB . 15975 1 503 . 1 1 50 50 ALA HB2 H 1 1.486 0.02 . 1 . . . . 50 ALA HB . 15975 1 504 . 1 1 50 50 ALA HB3 H 1 1.486 0.02 . 1 . . . . 50 ALA HB . 15975 1 505 . 1 1 50 50 ALA C C 13 177.019 0.2 . 1 . . . . 50 ALA C . 15975 1 506 . 1 1 50 50 ALA CA C 13 55.278 0.2 . 1 . . . . 50 ALA CA . 15975 1 507 . 1 1 50 50 ALA CB C 13 18.017 0.2 . 1 . . . . 50 ALA CB . 15975 1 508 . 1 1 50 50 ALA N N 15 120.419 0.2 . 1 . . . . 50 ALA N . 15975 1 509 . 1 1 51 51 LYS H H 1 7.754 0.02 . 1 . . . . 51 LYS HN . 15975 1 510 . 1 1 51 51 LYS HA H 1 4.244 0.02 . 1 . . . . 51 LYS HA . 15975 1 511 . 1 1 51 51 LYS HB2 H 1 1.86 0.02 . 1 . . . . 51 LYS HB2 . 15975 1 512 . 1 1 51 51 LYS HB3 H 1 1.959 0.02 . 1 . . . . 51 LYS HB3 . 15975 1 513 . 1 1 51 51 LYS HD2 H 1 1.724 0.02 . 4 . . . . 51 LYS HD2 . 15975 1 514 . 1 1 51 51 LYS HD3 H 1 1.724 0.02 . 4 . . . . 51 LYS HD3 . 15975 1 515 . 1 1 51 51 LYS HE2 H 1 3.02 0.02 . 2 . . . . 51 LYS HE2 . 15975 1 516 . 1 1 51 51 LYS HE3 H 1 3.02 0.02 . 2 . . . . 51 LYS HE3 . 15975 1 517 . 1 1 51 51 LYS HG2 H 1 1.489 0.02 . 4 . . . . 51 LYS HG2 . 15975 1 518 . 1 1 51 51 LYS HG3 H 1 1.489 0.02 . 4 . . . . 51 LYS HG3 . 15975 1 519 . 1 1 51 51 LYS C C 13 177.114 0.2 . 1 . . . . 51 LYS C . 15975 1 520 . 1 1 51 51 LYS CA C 13 57.274 0.2 . 1 . . . . 51 LYS CA . 15975 1 521 . 1 1 51 51 LYS CB C 13 32.825 0.2 . 1 . . . . 51 LYS CB . 15975 1 522 . 1 1 51 51 LYS CD C 13 29.116 0.2 . 1 . . . . 51 LYS CD . 15975 1 523 . 1 1 51 51 LYS CE C 13 42.257 0.2 . 1 . . . . 51 LYS CE . 15975 1 524 . 1 1 51 51 LYS CG C 13 24.787 0.2 . 1 . . . . 51 LYS CG . 15975 1 525 . 1 1 51 51 LYS N N 15 117.463 0.2 . 1 . . . . 51 LYS N . 15975 1 526 . 1 1 52 52 VAL H H 1 7.782 0.02 . 1 . . . . 52 VAL HN . 15975 1 527 . 1 1 52 52 VAL HA H 1 4.417 0.02 . 1 . . . . 52 VAL HA . 15975 1 528 . 1 1 52 52 VAL HB H 1 2.197 0.02 . 1 . . . . 52 VAL HB . 15975 1 529 . 1 1 52 52 VAL HG11 H 1 0.9 0.02 . 1 . . . . 52 VAL HG1 . 15975 1 530 . 1 1 52 52 VAL HG12 H 1 0.9 0.02 . 1 . . . . 52 VAL HG1 . 15975 1 531 . 1 1 52 52 VAL HG13 H 1 0.9 0.02 . 1 . . . . 52 VAL HG1 . 15975 1 532 . 1 1 52 52 VAL C C 13 176.204 0.2 . 1 . . . . 52 VAL C . 15975 1 533 . 1 1 52 52 VAL CA C 13 62.861 0.2 . 1 . . . . 52 VAL CA . 15975 1 534 . 1 1 52 52 VAL CB C 13 31.72 0.2 . 1 . . . . 52 VAL CB . 15975 1 535 . 1 1 52 52 VAL CG1 C 13 17.928 0.2 . 1 . . . . 52 VAL CG1 . 15975 1 536 . 1 1 52 52 VAL CG2 C 13 19.239 0.2 . 1 . . . . 52 VAL CG2 . 15975 1 537 . 1 1 52 52 VAL N N 15 119.594 0.2 . 1 . . . . 52 VAL N . 15975 1 538 . 1 1 53 53 LEU H H 1 8.059 0.02 . 1 . . . . 53 LEU HN . 15975 1 539 . 1 1 53 53 LEU HA H 1 4.19 0.02 . 1 . . . . 53 LEU HA . 15975 1 540 . 1 1 53 53 LEU HB2 H 1 1.662 0.02 . 2 . . . . 53 LEU HB2 . 15975 1 541 . 1 1 53 53 LEU HB3 H 1 1.662 0.02 . 2 . . . . 53 LEU HB3 . 15975 1 542 . 1 1 53 53 LEU HD11 H 1 0.87 0.02 . 1 . . . . 53 LEU HD1 . 15975 1 543 . 1 1 53 53 LEU HD12 H 1 0.87 0.02 . 1 . . . . 53 LEU HD1 . 15975 1 544 . 1 1 53 53 LEU HD13 H 1 0.87 0.02 . 1 . . . . 53 LEU HD1 . 15975 1 545 . 1 1 53 53 LEU HD21 H 1 0.927 0.02 . 1 . . . . 53 LEU HD2 . 15975 1 546 . 1 1 53 53 LEU HD22 H 1 0.927 0.02 . 1 . . . . 53 LEU HD2 . 15975 1 547 . 1 1 53 53 LEU HD23 H 1 0.927 0.02 . 1 . . . . 53 LEU HD2 . 15975 1 548 . 1 1 53 53 LEU HG H 1 1.621 0.02 . 1 . . . . 53 LEU HG . 15975 1 549 . 1 1 53 53 LEU C C 13 178.318 0.2 . 1 . . . . 53 LEU C . 15975 1 550 . 1 1 53 53 LEU CA C 13 57.024 0.2 . 1 . . . . 53 LEU CA . 15975 1 551 . 1 1 53 53 LEU CB C 13 41.703 0.2 . 1 . . . . 53 LEU CB . 15975 1 552 . 1 1 53 53 LEU CD1 C 13 22.953 0.2 . 1 . . . . 53 LEU CD1 . 15975 1 553 . 1 1 53 53 LEU CD2 C 13 24.714 0.2 . 1 . . . . 53 LEU CD2 . 15975 1 554 . 1 1 53 53 LEU CG C 13 27.172 0.2 . 1 . . . . 53 LEU CG . 15975 1 555 . 1 1 53 53 LEU N N 15 121.318 0.2 . 1 . . . . 53 LEU N . 15975 1 556 . 1 1 54 54 ARG H H 1 7.979 0.02 . 1 . . . . 54 ARG HN . 15975 1 557 . 1 1 54 54 ARG HA H 1 4.308 0.02 . 1 . . . . 54 ARG HA . 15975 1 558 . 1 1 54 54 ARG HB2 H 1 1.832 0.02 . 1 . . . . 54 ARG HB2 . 15975 1 559 . 1 1 54 54 ARG HB3 H 1 1.934 0.02 . 1 . . . . 54 ARG HB3 . 15975 1 560 . 1 1 54 54 ARG HD2 H 1 3.354 0.02 . 2 . . . . 54 ARG HD2 . 15975 1 561 . 1 1 54 54 ARG HD3 H 1 3.354 0.02 . 2 . . . . 54 ARG HD3 . 15975 1 562 . 1 1 54 54 ARG HG2 H 1 1.612 0.02 . 2 . . . . 54 ARG HG2 . 15975 1 563 . 1 1 54 54 ARG HG3 H 1 1.612 0.02 . 2 . . . . 54 ARG HG3 . 15975 1 564 . 1 1 54 54 ARG C C 13 178.744 0.2 . 1 . . . . 54 ARG C . 15975 1 565 . 1 1 54 54 ARG CA C 13 55.333 0.2 . 1 . . . . 54 ARG CA . 15975 1 566 . 1 1 54 54 ARG CB C 13 28.814 0.2 . 1 . . . . 54 ARG CB . 15975 1 567 . 1 1 54 54 ARG CD C 13 43.495 0.2 . 1 . . . . 54 ARG CD . 15975 1 568 . 1 1 54 54 ARG CG C 13 27.74 0.2 . 1 . . . . 54 ARG CG . 15975 1 569 . 1 1 54 54 ARG N N 15 118.081 0.2 . 1 . . . . 54 ARG N . 15975 1 570 . 1 1 55 55 MET H H 1 8.17 0.02 . 1 . . . . 55 MET HN . 15975 1 571 . 1 1 55 55 MET HA H 1 4.54 0.02 . 1 . . . . 55 MET HA . 15975 1 572 . 1 1 55 55 MET HB2 H 1 1.957 0.02 . 1 . . . . 55 MET HB2 . 15975 1 573 . 1 1 55 55 MET HB3 H 1 2.201 0.02 . 1 . . . . 55 MET HB3 . 15975 1 574 . 1 1 55 55 MET HE1 H 1 2.016 0.02 . 1 . . . . 55 MET HE . 15975 1 575 . 1 1 55 55 MET HE2 H 1 2.016 0.02 . 1 . . . . 55 MET HE . 15975 1 576 . 1 1 55 55 MET HE3 H 1 2.016 0.02 . 1 . . . . 55 MET HE . 15975 1 577 . 1 1 55 55 MET HG2 H 1 2.9 0.02 . 2 . . . . 55 MET HG2 . 15975 1 578 . 1 1 55 55 MET HG3 H 1 2.9 0.02 . 2 . . . . 55 MET HG3 . 15975 1 579 . 1 1 55 55 MET C C 13 177.005 0.2 . 1 . . . . 55 MET C . 15975 1 580 . 1 1 55 55 MET CA C 13 55.888 0.2 . 1 . . . . 55 MET CA . 15975 1 581 . 1 1 55 55 MET CB C 13 32.956 0.2 . 1 . . . . 55 MET CB . 15975 1 582 . 1 1 55 55 MET CE C 13 16.849 0.2 . 1 . . . . 55 MET CE . 15975 1 583 . 1 1 55 55 MET CG C 13 31.038 0.2 . 1 . . . . 55 MET CG . 15975 1 584 . 1 1 55 55 MET N N 15 119.366 0.2 . 1 . . . . 55 MET N . 15975 1 585 . 1 1 56 56 ARG H H 1 8.277 0.02 . 1 . . . . 56 ARG HN . 15975 1 586 . 1 1 56 56 ARG HA H 1 4.312 0.02 . 1 . . . . 56 ARG HA . 15975 1 587 . 1 1 56 56 ARG HB2 H 1 1.722 0.02 . 1 . . . . 56 ARG HB2 . 15975 1 588 . 1 1 56 56 ARG HB3 H 1 1.855 0.02 . 1 . . . . 56 ARG HB3 . 15975 1 589 . 1 1 56 56 ARG HD2 H 1 3.035 0.02 . 2 . . . . 56 ARG HD2 . 15975 1 590 . 1 1 56 56 ARG HD3 H 1 3.035 0.02 . 2 . . . . 56 ARG HD3 . 15975 1 591 . 1 1 56 56 ARG HG2 H 1 1.619 0.02 . 2 . . . . 56 ARG HG2 . 15975 1 592 . 1 1 56 56 ARG HG3 H 1 1.619 0.02 . 2 . . . . 56 ARG HG3 . 15975 1 593 . 1 1 56 56 ARG C C 13 176.516 0.2 . 1 . . . . 56 ARG C . 15975 1 594 . 1 1 56 56 ARG CA C 13 56.159 0.2 . 1 . . . . 56 ARG CA . 15975 1 595 . 1 1 56 56 ARG CB C 13 30.256 0.2 . 1 . . . . 56 ARG CB . 15975 1 596 . 1 1 56 56 ARG CD C 13 42.886 0.2 . 1 . . . . 56 ARG CD . 15975 1 597 . 1 1 56 56 ARG CG C 13 26.763 0.2 . 1 . . . . 56 ARG CG . 15975 1 598 . 1 1 56 56 ARG N N 15 117.783 0.2 . 1 . . . . 56 ARG N . 15975 1 599 . 1 1 57 57 PHE H H 1 8.123 0.02 . 1 . . . . 57 PHE HN . 15975 1 600 . 1 1 57 57 PHE HA H 1 4.656 0.02 . 1 . . . . 57 PHE HA . 15975 1 601 . 1 1 57 57 PHE HB2 H 1 3.019 0.02 . 1 . . . . 57 PHE HB2 . 15975 1 602 . 1 1 57 57 PHE HB3 H 1 3.368 0.02 . 1 . . . . 57 PHE HB3 . 15975 1 603 . 1 1 57 57 PHE C C 13 177.907 0.2 . 1 . . . . 57 PHE C . 15975 1 604 . 1 1 57 57 PHE CA C 13 58.624 0.2 . 1 . . . . 57 PHE CA . 15975 1 605 . 1 1 57 57 PHE CB C 13 39.774 0.2 . 1 . . . . 57 PHE CB . 15975 1 606 . 1 1 57 57 PHE N N 15 116.595 0.2 . 1 . . . . 57 PHE N . 15975 1 607 . 1 1 58 58 GLY H H 1 7.989 0.02 . 1 . . . . 58 GLY HN . 15975 1 608 . 1 1 58 58 GLY HA2 H 1 3.841 0.02 . 1 . . . . 58 GLY HA2 . 15975 1 609 . 1 1 58 58 GLY C C 13 174.396 0.2 . 1 . . . . 58 GLY C . 15975 1 610 . 1 1 58 58 GLY CA C 13 45.993 0.2 . 1 . . . . 58 GLY CA . 15975 1 611 . 1 1 58 58 GLY N N 15 108.143 0.2 . 1 . . . . 58 GLY N . 15975 1 612 . 1 1 59 59 ILE H H 1 7.731 0.02 . 1 . . . . 59 ILE HN . 15975 1 613 . 1 1 59 59 ILE HA H 1 4.072 0.02 . 1 . . . . 59 ILE HA . 15975 1 614 . 1 1 59 59 ILE HB H 1 1.842 0.02 . 1 . . . . 59 ILE HB . 15975 1 615 . 1 1 59 59 ILE HD11 H 1 0.842 0.02 . 1 . . . . 59 ILE HD1 . 15975 1 616 . 1 1 59 59 ILE HD12 H 1 0.842 0.02 . 1 . . . . 59 ILE HD1 . 15975 1 617 . 1 1 59 59 ILE HD13 H 1 0.842 0.02 . 1 . . . . 59 ILE HD1 . 15975 1 618 . 1 1 59 59 ILE HG12 H 1 1.138 0.02 . 2 . . . . 59 ILE HG12 . 15975 1 619 . 1 1 59 59 ILE HG13 H 1 1.604 0.02 . 2 . . . . 59 ILE HG13 . 15975 1 620 . 1 1 59 59 ILE HG21 H 1 0.907 0.02 . 1 . . . . 59 ILE HG2 . 15975 1 621 . 1 1 59 59 ILE HG22 H 1 0.907 0.02 . 1 . . . . 59 ILE HG2 . 15975 1 622 . 1 1 59 59 ILE HG23 H 1 0.907 0.02 . 1 . . . . 59 ILE HG2 . 15975 1 623 . 1 1 59 59 ILE C C 13 176.188 0.2 . 1 . . . . 59 ILE C . 15975 1 624 . 1 1 59 59 ILE CA C 13 62.234 0.2 . 1 . . . . 59 ILE CA . 15975 1 625 . 1 1 59 59 ILE CB C 13 38.607 0.2 . 1 . . . . 59 ILE CB . 15975 1 626 . 1 1 59 59 ILE CD1 C 13 12.715 0.2 . 1 . . . . 59 ILE CD1 . 15975 1 627 . 1 1 59 59 ILE CG1 C 13 27.815 0.2 . 1 . . . . 59 ILE CG1 . 15975 1 628 . 1 1 59 59 ILE CG2 C 13 17.269 0.2 . 1 . . . . 59 ILE CG2 . 15975 1 629 . 1 1 59 59 ILE N N 15 119.003 0.2 . 1 . . . . 59 ILE N . 15975 1 630 . 1 1 60 60 ASP H H 1 8.404 0.02 . 1 . . . . 60 ASP HN . 15975 1 631 . 1 1 60 60 ASP HA H 1 4.648 0.02 . 1 . . . . 60 ASP HA . 15975 1 632 . 1 1 60 60 ASP HB2 H 1 1.746 0.02 . 1 . . . . 60 ASP HB2 . 15975 1 633 . 1 1 60 60 ASP C C 13 175.51 0.2 . 1 . . . . 60 ASP C . 15975 1 634 . 1 1 60 60 ASP CA C 13 54.192 0.2 . 1 . . . . 60 ASP CA . 15975 1 635 . 1 1 60 60 ASP CB C 13 38.431 0.2 . 1 . . . . 60 ASP CB . 15975 1 636 . 1 1 60 60 ASP N N 15 121.936 0.2 . 1 . . . . 60 ASP N . 15975 1 637 . 1 1 61 61 MET H H 1 8.298 0.02 . 1 . . . . 61 MET HN . 15975 1 638 . 1 1 61 61 MET HA H 1 4.399 0.02 . 1 . . . . 61 MET HA . 15975 1 639 . 1 1 61 61 MET HB2 H 1 1.989 0.02 . 1 . . . . 61 MET HB2 . 15975 1 640 . 1 1 61 61 MET HB3 H 1 2.073 0.02 . 1 . . . . 61 MET HB3 . 15975 1 641 . 1 1 61 61 MET HE1 H 1 2.131 0.02 . 1 . . . . 61 MET HE . 15975 1 642 . 1 1 61 61 MET HE2 H 1 2.131 0.02 . 1 . . . . 61 MET HE . 15975 1 643 . 1 1 61 61 MET HE3 H 1 2.131 0.02 . 1 . . . . 61 MET HE . 15975 1 644 . 1 1 61 61 MET HG2 H 1 2.495 0.02 . 2 . . . . 61 MET HG2 . 15975 1 645 . 1 1 61 61 MET HG3 H 1 2.495 0.02 . 2 . . . . 61 MET HG3 . 15975 1 646 . 1 1 61 61 MET C C 13 176.232 0.2 . 1 . . . . 61 MET C . 15975 1 647 . 1 1 61 61 MET CA C 13 56.775 0.2 . 1 . . . . 61 MET CA . 15975 1 648 . 1 1 61 61 MET CB C 13 32.326 0.2 . 1 . . . . 61 MET CB . 15975 1 649 . 1 1 61 61 MET CE C 13 18.765 0.2 . 1 . . . . 61 MET CE . 15975 1 650 . 1 1 61 61 MET CG C 13 31.868 0.2 . 1 . . . . 61 MET CG . 15975 1 651 . 1 1 61 61 MET N N 15 120.066 0.2 . 1 . . . . 61 MET N . 15975 1 652 . 1 1 62 62 ASN H H 1 8.244 0.02 . 1 . . . . 62 ASN HN . 15975 1 653 . 1 1 62 62 ASN HA H 1 4.664 0.02 . 1 . . . . 62 ASN HA . 15975 1 654 . 1 1 62 62 ASN HB2 H 1 2.809 0.02 . 2 . . . . 62 ASN HB2 . 15975 1 655 . 1 1 62 62 ASN HB3 H 1 2.897 0.02 . 2 . . . . 62 ASN HB3 . 15975 1 656 . 1 1 62 62 ASN HD21 H 1 7.565 0.02 . 1 . . . . 62 ASN HD21 . 15975 1 657 . 1 1 62 62 ASN HD22 H 1 6.797 0.02 . 1 . . . . 62 ASN HD22 . 15975 1 658 . 1 1 62 62 ASN C C 13 178.036 0.2 . 1 . . . . 62 ASN C . 15975 1 659 . 1 1 62 62 ASN CA C 13 58.576 0.2 . 1 . . . . 62 ASN CA . 15975 1 660 . 1 1 62 62 ASN CB C 13 38.588 0.2 . 1 . . . . 62 ASN CB . 15975 1 661 . 1 1 62 62 ASN N N 15 118.266 0.2 . 1 . . . . 62 ASN N . 15975 1 662 . 1 1 62 62 ASN ND2 N 15 112.055 0.02 . 1 . . . . 62 ASN ND2 . 15975 1 663 . 1 1 63 63 THR H H 1 8.144 0.02 . 1 . . . . 63 THR HN . 15975 1 664 . 1 1 63 63 THR HA H 1 4.27 0.02 . 1 . . . . 63 THR HA . 15975 1 665 . 1 1 63 63 THR HB H 1 4.072 0.02 . 1 . . . . 63 THR HB . 15975 1 666 . 1 1 63 63 THR HG21 H 1 1.375 0.02 . 1 . . . . 63 THR HG2 . 15975 1 667 . 1 1 63 63 THR HG22 H 1 1.375 0.02 . 1 . . . . 63 THR HG2 . 15975 1 668 . 1 1 63 63 THR HG23 H 1 1.375 0.02 . 1 . . . . 63 THR HG2 . 15975 1 669 . 1 1 63 63 THR C C 13 174.67 0.2 . 1 . . . . 63 THR C . 15975 1 670 . 1 1 63 63 THR CA C 13 62.304 0.2 . 1 . . . . 63 THR CA . 15975 1 671 . 1 1 63 63 THR CB C 13 69.612 0.2 . 1 . . . . 63 THR CB . 15975 1 672 . 1 1 63 63 THR CG2 C 13 21.669 0.2 . 1 . . . . 63 THR CG2 . 15975 1 673 . 1 1 63 63 THR N N 15 115.788 0.2 . 1 . . . . 63 THR N . 15975 1 674 . 1 1 64 64 ASP H H 1 8.309 0.02 . 1 . . . . 64 ASP HN . 15975 1 675 . 1 1 64 64 ASP HA H 1 4.652 0.02 . 1 . . . . 64 ASP HA . 15975 1 676 . 1 1 64 64 ASP HB2 H 1 1.603 0.02 . 2 . . . . 64 ASP HB2 . 15975 1 677 . 1 1 64 64 ASP HB3 H 1 1.955 0.02 . 2 . . . . 64 ASP HB3 . 15975 1 678 . 1 1 64 64 ASP C C 13 175.679 0.2 . 1 . . . . 64 ASP C . 15975 1 679 . 1 1 64 64 ASP CA C 13 52.871 0.2 . 1 . . . . 64 ASP CA . 15975 1 680 . 1 1 64 64 ASP CB C 13 39.194 0.2 . 1 . . . . 64 ASP CB . 15975 1 681 . 1 1 64 64 ASP N N 15 120.386 0.2 . 1 . . . . 64 ASP N . 15975 1 682 . 1 1 65 65 TYR H H 1 8.047 0.02 . 1 . . . . 65 TYR HN . 15975 1 683 . 1 1 65 65 TYR HA H 1 4.773 0.02 . 1 . . . . 65 TYR HA . 15975 1 684 . 1 1 65 65 TYR HB2 H 1 2.788 0.02 . 2 . . . . 65 TYR HB2 . 15975 1 685 . 1 1 65 65 TYR HB3 H 1 2.876 0.02 . 2 . . . . 65 TYR HB3 . 15975 1 686 . 1 1 65 65 TYR C C 13 175.016 0.2 . 1 . . . . 65 TYR C . 15975 1 687 . 1 1 65 65 TYR CA C 13 53.502 0.2 . 1 . . . . 65 TYR CA . 15975 1 688 . 1 1 65 65 TYR CB C 13 38.944 0.2 . 1 . . . . 65 TYR CB . 15975 1 689 . 1 1 65 65 TYR N N 15 120.733 0.2 . 1 . . . . 65 TYR N . 15975 1 690 . 1 1 66 66 THR H H 1 7.966 0.02 . 1 . . . . 66 THR HN . 15975 1 691 . 1 1 66 66 THR HA H 1 4.46 0.02 . 1 . . . . 66 THR HA . 15975 1 692 . 1 1 66 66 THR HB H 1 4.303 0.02 . 1 . . . . 66 THR HB . 15975 1 693 . 1 1 66 66 THR HG21 H 1 1.245 0.02 . 1 . . . . 66 THR HG2 . 15975 1 694 . 1 1 66 66 THR HG22 H 1 1.245 0.02 . 1 . . . . 66 THR HG2 . 15975 1 695 . 1 1 66 66 THR HG23 H 1 1.245 0.02 . 1 . . . . 66 THR HG2 . 15975 1 696 . 1 1 66 66 THR C C 13 175.596 0.2 . 1 . . . . 66 THR C . 15975 1 697 . 1 1 66 66 THR CA C 13 61.628 0.2 . 1 . . . . 66 THR CA . 15975 1 698 . 1 1 66 66 THR CB C 13 69.7 0.2 . 1 . . . . 66 THR CB . 15975 1 699 . 1 1 66 66 THR CG2 C 13 21.069 0.2 . 1 . . . . 66 THR CG2 . 15975 1 700 . 1 1 66 66 THR N N 15 113.12 0.2 . 1 . . . . 66 THR N . 15975 1 701 . 1 1 67 67 LEU H H 1 8.171 0.02 . 1 . . . . 67 LEU HN . 15975 1 702 . 1 1 67 67 LEU HA H 1 4.303 0.02 . 1 . . . . 67 LEU HA . 15975 1 703 . 1 1 67 67 LEU HB2 H 1 1.717 0.02 . 2 . . . . 67 LEU HB2 . 15975 1 704 . 1 1 67 67 LEU HB3 H 1 1.717 0.02 . 2 . . . . 67 LEU HB3 . 15975 1 705 . 1 1 67 67 LEU HD11 H 1 0.879 0.02 . 1 . . . . 67 LEU HD1 . 15975 1 706 . 1 1 67 67 LEU HD12 H 1 0.879 0.02 . 1 . . . . 67 LEU HD1 . 15975 1 707 . 1 1 67 67 LEU HD13 H 1 0.879 0.02 . 1 . . . . 67 LEU HD1 . 15975 1 708 . 1 1 67 67 LEU HD21 H 1 0.92 0.02 . 1 . . . . 67 LEU HD2 . 15975 1 709 . 1 1 67 67 LEU HD22 H 1 0.92 0.02 . 1 . . . . 67 LEU HD2 . 15975 1 710 . 1 1 67 67 LEU HD23 H 1 0.92 0.02 . 1 . . . . 67 LEU HD2 . 15975 1 711 . 1 1 67 67 LEU HG H 1 1.547 0.02 . 1 . . . . 67 LEU HG . 15975 1 712 . 1 1 67 67 LEU C C 13 178.112 0.2 . 1 . . . . 67 LEU C . 15975 1 713 . 1 1 67 67 LEU CA C 13 55.495 0.2 . 1 . . . . 67 LEU CA . 15975 1 714 . 1 1 67 67 LEU CB C 13 42.398 0.2 . 1 . . . . 67 LEU CB . 15975 1 715 . 1 1 67 67 LEU CD1 C 13 22.953 0.2 . 1 . . . . 67 LEU CD1 . 15975 1 716 . 1 1 67 67 LEU CD2 C 13 24.943 0.2 . 1 . . . . 67 LEU CD2 . 15975 1 717 . 1 1 67 67 LEU CG C 13 26.695 0.2 . 1 . . . . 67 LEU CG . 15975 1 718 . 1 1 67 67 LEU N N 15 122.814 0.2 . 1 . . . . 67 LEU N . 15975 1 719 . 1 1 68 68 GLU H H 1 7.968 0.02 . 1 . . . . 68 GLU HN . 15975 1 720 . 1 1 68 68 GLU HA H 1 4.065 0.02 . 1 . . . . 68 GLU HA . 15975 1 721 . 1 1 68 68 GLU HB2 H 1 1.941 0.02 . 2 . . . . 68 GLU HB2 . 15975 1 722 . 1 1 68 68 GLU HB3 H 1 2.07 0.02 . 2 . . . . 68 GLU HB3 . 15975 1 723 . 1 1 68 68 GLU HG2 H 1 2.544 0.02 . 1 . . . . 68 GLU HG2 . 15975 1 724 . 1 1 68 68 GLU C C 13 177.913 0.2 . 1 . . . . 68 GLU C . 15975 1 725 . 1 1 68 68 GLU CA C 13 58.433 0.2 . 1 . . . . 68 GLU CA . 15975 1 726 . 1 1 68 68 GLU CB C 13 29.86 0.2 . 1 . . . . 68 GLU CB . 15975 1 727 . 1 1 68 68 GLU CG C 13 32.885 0.2 . 1 . . . . 68 GLU CG . 15975 1 728 . 1 1 68 68 GLU N N 15 119.073 0.2 . 1 . . . . 68 GLU N . 15975 1 729 . 1 1 69 69 GLU H H 1 8.018 0.02 . 1 . . . . 69 GLU HN . 15975 1 730 . 1 1 69 69 GLU HA H 1 4.113 0.02 . 1 . . . . 69 GLU HA . 15975 1 731 . 1 1 69 69 GLU HB2 H 1 2.131 0.02 . 2 . . . . 69 GLU HB2 . 15975 1 732 . 1 1 69 69 GLU HB3 H 1 2.182 0.02 . 2 . . . . 69 GLU HB3 . 15975 1 733 . 1 1 69 69 GLU HG2 H 1 2.32 0.02 . 1 . . . . 69 GLU HG2 . 15975 1 734 . 1 1 69 69 GLU C C 13 178.406 0.2 . 1 . . . . 69 GLU C . 15975 1 735 . 1 1 69 69 GLU CA C 13 58.786 0.2 . 1 . . . . 69 GLU CA . 15975 1 736 . 1 1 69 69 GLU CB C 13 27.997 0.2 . 1 . . . . 69 GLU CB . 15975 1 737 . 1 1 69 69 GLU CG C 13 33.269 0.2 . 1 . . . . 69 GLU CG . 15975 1 738 . 1 1 69 69 GLU N N 15 119.219 0.2 . 1 . . . . 69 GLU N . 15975 1 739 . 1 1 70 70 VAL H H 1 7.947 0.02 . 1 . . . . 70 VAL HN . 15975 1 740 . 1 1 70 70 VAL HA H 1 4.061 0.02 . 1 . . . . 70 VAL HA . 15975 1 741 . 1 1 70 70 VAL HB H 1 2.05 0.02 . 1 . . . . 70 VAL HB . 15975 1 742 . 1 1 70 70 VAL HG11 H 1 0.909 0.02 . 1 . . . . 70 VAL HG1 . 15975 1 743 . 1 1 70 70 VAL HG12 H 1 0.909 0.02 . 1 . . . . 70 VAL HG1 . 15975 1 744 . 1 1 70 70 VAL HG13 H 1 0.909 0.02 . 1 . . . . 70 VAL HG1 . 15975 1 745 . 1 1 70 70 VAL HG21 H 1 0.912 0.02 . 1 . . . . 70 VAL HG2 . 15975 1 746 . 1 1 70 70 VAL HG22 H 1 0.912 0.02 . 1 . . . . 70 VAL HG2 . 15975 1 747 . 1 1 70 70 VAL HG23 H 1 0.912 0.02 . 1 . . . . 70 VAL HG2 . 15975 1 748 . 1 1 70 70 VAL C C 13 178.028 0.2 . 1 . . . . 70 VAL C . 15975 1 749 . 1 1 70 70 VAL CA C 13 59.622 0.2 . 1 . . . . 70 VAL CA . 15975 1 750 . 1 1 70 70 VAL CB C 13 29.934 0.2 . 1 . . . . 70 VAL CB . 15975 1 751 . 1 1 70 70 VAL CG1 C 13 21.082 0.2 . 1 . . . . 70 VAL CG1 . 15975 1 752 . 1 1 70 70 VAL CG2 C 13 19.112 0.2 . 1 . . . . 70 VAL CG2 . 15975 1 753 . 1 1 70 70 VAL N N 15 118.299 0.2 . 1 . . . . 70 VAL N . 15975 1 754 . 1 1 71 71 GLY H H 1 8.253 0.02 . 1 . . . . 71 GLY HN . 15975 1 755 . 1 1 71 71 GLY HA2 H 1 3.841 0.02 . 1 . . . . 71 GLY HA2 . 15975 1 756 . 1 1 71 71 GLY C C 13 175.811 0.2 . 1 . . . . 71 GLY C . 15975 1 757 . 1 1 71 71 GLY CA C 13 46.707 0.2 . 1 . . . . 71 GLY CA . 15975 1 758 . 1 1 71 71 GLY N N 15 107.519 0.2 . 1 . . . . 71 GLY N . 15975 1 759 . 1 1 72 72 LYS H H 1 7.955 0.02 . 1 . . . . 72 LYS HN . 15975 1 760 . 1 1 72 72 LYS HA H 1 4.12 0.02 . 1 . . . . 72 LYS HA . 15975 1 761 . 1 1 72 72 LYS HB2 H 1 1.911 0.02 . 2 . . . . 72 LYS HB2 . 15975 1 762 . 1 1 72 72 LYS HB3 H 1 1.952 0.02 . 2 . . . . 72 LYS HB3 . 15975 1 763 . 1 1 72 72 LYS HD2 H 1 1.733 0.02 . 4 . . . . 72 LYS HD2 . 15975 1 764 . 1 1 72 72 LYS HD3 H 1 1.733 0.02 . 4 . . . . 72 LYS HD3 . 15975 1 765 . 1 1 72 72 LYS HE2 H 1 3.139 0.02 . 4 . . . . 72 LYS HE2 . 15975 1 766 . 1 1 72 72 LYS HE3 H 1 3.139 0.02 . 4 . . . . 72 LYS HE3 . 15975 1 767 . 1 1 72 72 LYS HG2 H 1 1.476 0.02 . 4 . . . . 72 LYS HG2 . 15975 1 768 . 1 1 72 72 LYS HG3 H 1 1.476 0.02 . 4 . . . . 72 LYS HG3 . 15975 1 769 . 1 1 72 72 LYS C C 13 178.322 0.2 . 1 . . . . 72 LYS C . 15975 1 770 . 1 1 72 72 LYS CA C 13 58.477 0.2 . 1 . . . . 72 LYS CA . 15975 1 771 . 1 1 72 72 LYS CB C 13 32.326 0.2 . 1 . . . . 72 LYS CB . 15975 1 772 . 1 1 72 72 LYS CD C 13 29.789 0.2 . 1 . . . . 72 LYS CD . 15975 1 773 . 1 1 72 72 LYS CE C 13 43.426 0.2 . 1 . . . . 72 LYS CE . 15975 1 774 . 1 1 72 72 LYS CG C 13 24.861 0.2 . 1 . . . . 72 LYS CG . 15975 1 775 . 1 1 72 72 LYS N N 15 121.058 0.2 . 1 . . . . 72 LYS N . 15975 1 776 . 1 1 73 73 GLN H H 1 8.106 0.02 . 1 . . . . 73 GLN HN . 15975 1 777 . 1 1 73 73 GLN HA H 1 4.214 0.02 . 1 . . . . 73 GLN HA . 15975 1 778 . 1 1 73 73 GLN HB2 H 1 1.795 0.02 . 1 . . . . 73 GLN HB2 . 15975 1 779 . 1 1 73 73 GLN HE21 H 1 7.172 0.02 . 2 . . . . 73 GLN HE21 . 15975 1 780 . 1 1 73 73 GLN HE22 H 1 6.615 0.02 . 2 . . . . 73 GLN HE22 . 15975 1 781 . 1 1 73 73 GLN HG2 H 1 2.302 0.02 . 2 . . . . 73 GLN HG2 . 15975 1 782 . 1 1 73 73 GLN HG3 H 1 2.302 0.02 . 2 . . . . 73 GLN HG3 . 15975 1 783 . 1 1 73 73 GLN CA C 13 55.322 0.2 . 1 . . . . 73 GLN CA . 15975 1 784 . 1 1 73 73 GLN CB C 13 27.383 0.2 . 1 . . . . 73 GLN CB . 15975 1 785 . 1 1 73 73 GLN CG C 13 32.399 0.2 . 1 . . . . 73 GLN CG . 15975 1 786 . 1 1 73 73 GLN N N 15 118.423 0.2 . 1 . . . . 73 GLN N . 15975 1 787 . 1 1 73 73 GLN NE2 N 15 109.94 0.2 . 1 . . . . 73 GLN NE2 . 15975 1 788 . 1 1 74 74 PHE HA H 1 4.772 0.02 . 1 . . . . 74 PHE HA . 15975 1 789 . 1 1 74 74 PHE HB2 H 1 3.158 0.02 . 2 . . . . 74 PHE HB2 . 15975 1 790 . 1 1 74 74 PHE HB3 H 1 3.356 0.02 . 2 . . . . 74 PHE HB3 . 15975 1 791 . 1 1 74 74 PHE C C 13 176.904 0.2 . 1 . . . . 74 PHE C . 15975 1 792 . 1 1 74 74 PHE CA C 13 58.56 0.2 . 1 . . . . 74 PHE CA . 15975 1 793 . 1 1 74 74 PHE CB C 13 38.46 0.2 . 1 . . . . 74 PHE CB . 15975 1 794 . 1 1 75 75 ASP H H 1 8.252 0.02 . 1 . . . . 75 ASP HN . 15975 1 795 . 1 1 75 75 ASP HA H 1 4.535 0.02 . 1 . . . . 75 ASP HA . 15975 1 796 . 1 1 75 75 ASP HB2 H 1 1.797 0.02 . 2 . . . . 75 ASP HB2 . 15975 1 797 . 1 1 75 75 ASP HB3 H 1 2.08 0.02 . 2 . . . . 75 ASP HB3 . 15975 1 798 . 1 1 75 75 ASP C C 13 176.526 0.2 . 1 . . . . 75 ASP C . 15975 1 799 . 1 1 75 75 ASP CA C 13 51.751 0.2 . 1 . . . . 75 ASP CA . 15975 1 800 . 1 1 75 75 ASP CB C 13 38.284 0.2 . 1 . . . . 75 ASP CB . 15975 1 801 . 1 1 75 75 ASP N N 15 119.383 0.2 . 1 . . . . 75 ASP N . 15975 1 802 . 1 1 76 76 VAL H H 1 8.138 0.02 . 1 . . . . 76 VAL HN . 15975 1 803 . 1 1 76 76 VAL HA H 1 4.182 0.02 . 1 . . . . 76 VAL HA . 15975 1 804 . 1 1 76 76 VAL HB H 1 2.186 0.02 . 1 . . . . 76 VAL HB . 15975 1 805 . 1 1 76 76 VAL HG11 H 1 1.058 0.02 . 1 . . . . 76 VAL HG1 . 15975 1 806 . 1 1 76 76 VAL HG12 H 1 1.058 0.02 . 1 . . . . 76 VAL HG1 . 15975 1 807 . 1 1 76 76 VAL HG13 H 1 1.058 0.02 . 1 . . . . 76 VAL HG1 . 15975 1 808 . 1 1 76 76 VAL C C 13 175.805 0.2 . 1 . . . . 76 VAL C . 15975 1 809 . 1 1 76 76 VAL CA C 13 59.519 0.2 . 1 . . . . 76 VAL CA . 15975 1 810 . 1 1 76 76 VAL CB C 13 32.321 0.2 . 1 . . . . 76 VAL CB . 15975 1 811 . 1 1 76 76 VAL CG1 C 13 17.911 0.2 . 1 . . . . 76 VAL CG1 . 15975 1 812 . 1 1 76 76 VAL CG2 C 13 20.435 0.2 . 1 . . . . 76 VAL CG2 . 15975 1 813 . 1 1 76 76 VAL N N 15 120.163 0.2 . 1 . . . . 76 VAL N . 15975 1 814 . 1 1 77 77 THR H H 1 7.999 0.02 . 1 . . . . 77 THR HN . 15975 1 815 . 1 1 77 77 THR HA H 1 4.424 0.02 . 1 . . . . 77 THR HA . 15975 1 816 . 1 1 77 77 THR HB H 1 4.076 0.02 . 1 . . . . 77 THR HB . 15975 1 817 . 1 1 77 77 THR HG21 H 1 1.261 0.02 . 1 . . . . 77 THR HG2 . 15975 1 818 . 1 1 77 77 THR HG22 H 1 1.261 0.02 . 1 . . . . 77 THR HG2 . 15975 1 819 . 1 1 77 77 THR HG23 H 1 1.261 0.02 . 1 . . . . 77 THR HG2 . 15975 1 820 . 1 1 77 77 THR C C 13 175.707 0.2 . 1 . . . . 77 THR C . 15975 1 821 . 1 1 77 77 THR CA C 13 65.886 0.2 . 1 . . . . 77 THR CA . 15975 1 822 . 1 1 77 77 THR CB C 13 68.556 0.2 . 1 . . . . 77 THR CB . 15975 1 823 . 1 1 77 77 THR CG2 C 13 21.045 0.2 . 1 . . . . 77 THR CG2 . 15975 1 824 . 1 1 77 77 THR N N 15 117.263 0.02 . 1 . . . . 77 THR N . 15975 1 825 . 1 1 78 78 ARG H H 1 8.235 0.02 . 1 . . . . 78 ARG HN . 15975 1 826 . 1 1 78 78 ARG HA H 1 4.168 0.02 . 1 . . . . 78 ARG HA . 15975 1 827 . 1 1 78 78 ARG HB2 H 1 1.794 0.02 . 2 . . . . 78 ARG HB2 . 15975 1 828 . 1 1 78 78 ARG HB3 H 1 1.868 0.02 . 2 . . . . 78 ARG HB3 . 15975 1 829 . 1 1 78 78 ARG HD2 H 1 3.236 0.02 . 2 . . . . 78 ARG HD2 . 15975 1 830 . 1 1 78 78 ARG HD3 H 1 3.236 0.02 . 2 . . . . 78 ARG HD3 . 15975 1 831 . 1 1 78 78 ARG HG2 H 1 1.688 0.02 . 2 . . . . 78 ARG HG2 . 15975 1 832 . 1 1 78 78 ARG HG3 H 1 1.688 0.02 . 2 . . . . 78 ARG HG3 . 15975 1 833 . 1 1 78 78 ARG C C 13 177.412 0.2 . 1 . . . . 78 ARG C . 15975 1 834 . 1 1 78 78 ARG CA C 13 57.905 0.2 . 1 . . . . 78 ARG CA . 15975 1 835 . 1 1 78 78 ARG CB C 13 30.345 0.2 . 1 . . . . 78 ARG CB . 15975 1 836 . 1 1 78 78 ARG CD C 13 43.527 0.2 . 1 . . . . 78 ARG CD . 15975 1 837 . 1 1 78 78 ARG CG C 13 27.305 0.2 . 1 . . . . 78 ARG CG . 15975 1 838 . 1 1 78 78 ARG N N 15 119.898 0.2 . 1 . . . . 78 ARG N . 15975 1 839 . 1 1 79 79 GLU H H 1 7.885 0.02 . 1 . . . . 79 GLU HN . 15975 1 840 . 1 1 79 79 GLU HA H 1 4.292 0.02 . 1 . . . . 79 GLU HA . 15975 1 841 . 1 1 79 79 GLU HB2 H 1 1.955 0.02 . 2 . . . . 79 GLU HB2 . 15975 1 842 . 1 1 79 79 GLU HB3 H 1 2.197 0.02 . 2 . . . . 79 GLU HB3 . 15975 1 843 . 1 1 79 79 GLU HG2 H 1 2.309 0.02 . 1 . . . . 79 GLU HG2 . 15975 1 844 . 1 1 79 79 GLU C C 13 177.013 0.2 . 1 . . . . 79 GLU C . 15975 1 845 . 1 1 79 79 GLU CA C 13 57.96 0.2 . 1 . . . . 79 GLU CA . 15975 1 846 . 1 1 79 79 GLU CB C 13 29.93 0.2 . 1 . . . . 79 GLU CB . 15975 1 847 . 1 1 79 79 GLU CG C 13 31.752 0.2 . 1 . . . . 79 GLU CG . 15975 1 848 . 1 1 79 79 GLU N N 15 114.433 0.2 . 1 . . . . 79 GLU N . 15975 1 849 . 1 1 80 80 ARG H H 1 8.358 0.02 . 1 . . . . 80 ARG HN . 15975 1 850 . 1 1 80 80 ARG HA H 1 4.274 0.02 . 1 . . . . 80 ARG HA . 15975 1 851 . 1 1 80 80 ARG HB2 H 1 1.776 0.02 . 2 . . . . 80 ARG HB2 . 15975 1 852 . 1 1 80 80 ARG HB3 H 1 1.959 0.02 . 2 . . . . 80 ARG HB3 . 15975 1 853 . 1 1 80 80 ARG HD2 H 1 3.144 0.02 . 2 . . . . 80 ARG HD2 . 15975 1 854 . 1 1 80 80 ARG HD3 H 1 3.144 0.02 . 2 . . . . 80 ARG HD3 . 15975 1 855 . 1 1 80 80 ARG HG2 H 1 1.639 0.02 . 2 . . . . 80 ARG HG2 . 15975 1 856 . 1 1 80 80 ARG HG3 H 1 1.639 0.02 . 2 . . . . 80 ARG HG3 . 15975 1 857 . 1 1 80 80 ARG C C 13 179.113 0.2 . 1 . . . . 80 ARG C . 15975 1 858 . 1 1 80 80 ARG CA C 13 57.039 0.2 . 1 . . . . 80 ARG CA . 15975 1 859 . 1 1 80 80 ARG CB C 13 29.919 0.2 . 1 . . . . 80 ARG CB . 15975 1 860 . 1 1 80 80 ARG CD C 13 43.572 0.2 . 1 . . . . 80 ARG CD . 15975 1 861 . 1 1 80 80 ARG CG C 13 27.465 0.2 . 1 . . . . 80 ARG CG . 15975 1 862 . 1 1 80 80 ARG N N 15 118.45 0.2 . 1 . . . . 80 ARG N . 15975 1 863 . 1 1 81 81 ILE H H 1 7.961 0.02 . 1 . . . . 81 ILE HN . 15975 1 864 . 1 1 81 81 ILE HA H 1 4.069 0.2 . 1 . . . . 81 ILE HA . 15975 1 865 . 1 1 81 81 ILE HB H 1 2.074 0.02 . 1 . . . . 81 ILE HB . 15975 1 866 . 1 1 81 81 ILE HD11 H 1 0.786 0.02 . 1 . . . . 81 ILE HD1 . 15975 1 867 . 1 1 81 81 ILE HD12 H 1 0.786 0.02 . 1 . . . . 81 ILE HD1 . 15975 1 868 . 1 1 81 81 ILE HD13 H 1 0.786 0.02 . 1 . . . . 81 ILE HD1 . 15975 1 869 . 1 1 81 81 ILE HG12 H 1 1.122 0.02 . 2 . . . . 81 ILE HG12 . 15975 1 870 . 1 1 81 81 ILE HG13 H 1 1.508 0.02 . 2 . . . . 81 ILE HG13 . 15975 1 871 . 1 1 81 81 ILE HG21 H 1 1.021 0.02 . 1 . . . . 81 ILE HG2 . 15975 1 872 . 1 1 81 81 ILE HG22 H 1 1.021 0.02 . 1 . . . . 81 ILE HG2 . 15975 1 873 . 1 1 81 81 ILE HG23 H 1 1.021 0.02 . 1 . . . . 81 ILE HG2 . 15975 1 874 . 1 1 81 81 ILE C C 13 176.772 0.2 . 1 . . . . 81 ILE C . 15975 1 875 . 1 1 81 81 ILE CA C 13 65.228 0.2 . 1 . . . . 81 ILE CA . 15975 1 876 . 1 1 81 81 ILE CB C 13 38.069 0.2 . 1 . . . . 81 ILE CB . 15975 1 877 . 1 1 81 81 ILE CD1 C 13 12.583 0.2 . 1 . . . . 81 ILE CD1 . 15975 1 878 . 1 1 81 81 ILE CG1 C 13 29.793 0.2 . 1 . . . . 81 ILE CG1 . 15975 1 879 . 1 1 81 81 ILE CG2 C 13 18.53 0.2 . 1 . . . . 81 ILE CG2 . 15975 1 880 . 1 1 81 81 ILE N N 15 118.25 0.2 . 1 . . . . 81 ILE N . 15975 1 881 . 1 1 82 82 ARG H H 1 8.218 0.02 . 1 . . . . 82 ARG HN . 15975 1 882 . 1 1 82 82 ARG HA H 1 4.297 0.02 . 1 . . . . 82 ARG HA . 15975 1 883 . 1 1 82 82 ARG HB2 H 1 1.727 0.02 . 2 . . . . 82 ARG HB2 . 15975 1 884 . 1 1 82 82 ARG HB3 H 1 1.953 0.02 . 2 . . . . 82 ARG HB3 . 15975 1 885 . 1 1 82 82 ARG HD2 H 1 3.211 0.02 . 2 . . . . 82 ARG HD2 . 15975 1 886 . 1 1 82 82 ARG HD3 H 1 3.211 0.02 . 2 . . . . 82 ARG HD3 . 15975 1 887 . 1 1 82 82 ARG HG2 H 1 1.722 0.02 . 2 . . . . 82 ARG HG2 . 15975 1 888 . 1 1 82 82 ARG HG3 H 1 1.722 0.02 . 2 . . . . 82 ARG HG3 . 15975 1 889 . 1 1 82 82 ARG C C 13 177.019 0.2 . 1 . . . . 82 ARG C . 15975 1 890 . 1 1 82 82 ARG CA C 13 58.576 0.2 . 1 . . . . 82 ARG CA . 15975 1 891 . 1 1 82 82 ARG CB C 13 29.93 0.2 . 1 . . . . 82 ARG CB . 15975 1 892 . 1 1 82 82 ARG CD C 13 41.712 0.2 . 1 . . . . 82 ARG CD . 15975 1 893 . 1 1 82 82 ARG CG C 13 27.271 0.02 . 1 . . . . 82 ARG CG . 15975 1 894 . 1 1 82 82 ARG N N 15 119.442 0.2 . 1 . . . . 82 ARG N . 15975 1 895 . 1 1 83 83 GLN H H 1 8.04 0.02 . 1 . . . . 83 GLN HN . 15975 1 896 . 1 1 83 83 GLN HA H 1 4.31 0.02 . 1 . . . . 83 GLN HA . 15975 1 897 . 1 1 83 83 GLN HB2 H 1 1.955 0.02 . 1 . . . . 83 GLN HB2 . 15975 1 898 . 1 1 83 83 GLN HE21 H 1 7.32 0.02 . 1 . . . . 83 GLN HE21 . 15975 1 899 . 1 1 83 83 GLN HE22 H 1 6.708 0.02 . 1 . . . . 83 GLN HE22 . 15975 1 900 . 1 1 83 83 GLN HG2 H 1 2.27 0.02 . 2 . . . . 83 GLN HG2 . 15975 1 901 . 1 1 83 83 GLN HG3 H 1 2.27 0.02 . 2 . . . . 83 GLN HG3 . 15975 1 902 . 1 1 83 83 GLN C C 13 175.594 0.2 . 1 . . . . 83 GLN C . 15975 1 903 . 1 1 83 83 GLN CA C 13 58.488 0.2 . 1 . . . . 83 GLN CA . 15975 1 904 . 1 1 83 83 GLN CB C 13 27.993 0.2 . 1 . . . . 83 GLN CB . 15975 1 905 . 1 1 83 83 GLN CG C 13 32.3 0.2 . 1 . . . . 83 GLN CG . 15975 1 906 . 1 1 83 83 GLN N N 15 118.039 0.2 . 1 . . . . 83 GLN N . 15975 1 907 . 1 1 83 83 GLN NE2 N 15 110.263 0.2 . 1 . . . . 83 GLN NE2 . 15975 1 908 . 1 1 84 84 ILE H H 1 8.181 0.02 . 1 . . . . 84 ILE HN . 15975 1 909 . 1 1 84 84 ILE HA H 1 4.418 0.02 . 1 . . . . 84 ILE HA . 15975 1 910 . 1 1 84 84 ILE HB H 1 2.074 0.02 . 1 . . . . 84 ILE HB . 15975 1 911 . 1 1 84 84 ILE HD11 H 1 0.856 0.02 . 1 . . . . 84 ILE HD1 . 15975 1 912 . 1 1 84 84 ILE HD12 H 1 0.856 0.02 . 1 . . . . 84 ILE HD1 . 15975 1 913 . 1 1 84 84 ILE HD13 H 1 0.856 0.02 . 1 . . . . 84 ILE HD1 . 15975 1 914 . 1 1 84 84 ILE HG12 H 1 1.259 0.02 . 1 . . . . 84 ILE HG12 . 15975 1 915 . 1 1 84 84 ILE HG13 H 1 1.468 0.02 . 1 . . . . 84 ILE HG13 . 15975 1 916 . 1 1 84 84 ILE HG21 H 1 1.017 0.02 . 1 . . . . 84 ILE HG2 . 15975 1 917 . 1 1 84 84 ILE HG22 H 1 1.017 0.02 . 1 . . . . 84 ILE HG2 . 15975 1 918 . 1 1 84 84 ILE HG23 H 1 1.017 0.02 . 1 . . . . 84 ILE HG2 . 15975 1 919 . 1 1 84 84 ILE CA C 13 59.104 0.2 . 1 . . . . 84 ILE CA . 15975 1 920 . 1 1 84 84 ILE CB C 13 37.972 0.2 . 1 . . . . 84 ILE CB . 15975 1 921 . 1 1 84 84 ILE CD1 C 13 12.851 0.2 . 1 . . . . 84 ILE CD1 . 15975 1 922 . 1 1 84 84 ILE CG1 C 13 24.141 0.2 . 1 . . . . 84 ILE CG1 . 15975 1 923 . 1 1 84 84 ILE CG2 C 13 16.627 0.2 . 1 . . . . 84 ILE CG2 . 15975 1 924 . 1 1 84 84 ILE N N 15 118.564 0.2 . 1 . . . . 84 ILE N . 15975 1 925 . 1 1 85 85 GLU H H 1 8.599 0.02 . 1 . . . . 85 GLU HN . 15975 1 926 . 1 1 85 85 GLU HA H 1 4.196 0.02 . 1 . . . . 85 GLU HA . 15975 1 927 . 1 1 85 85 GLU HB2 H 1 2.079 0.02 . 1 . . . . 85 GLU HB2 . 15975 1 928 . 1 1 85 85 GLU HB3 H 1 2.179 0.02 . 1 . . . . 85 GLU HB3 . 15975 1 929 . 1 1 85 85 GLU HG2 H 1 2.298 0.02 . 1 . . . . 85 GLU HG1 . 15975 1 930 . 1 1 85 85 GLU C C 13 178.159 0.2 . 1 . . . . 85 GLU C . 15975 1 931 . 1 1 85 85 GLU CA C 13 59.192 0.2 . 1 . . . . 85 GLU CA . 15975 1 932 . 1 1 85 85 GLU CB C 13 27.875 0.2 . 1 . . . . 85 GLU CB . 15975 1 933 . 1 1 85 85 GLU CG C 13 32.867 0.2 . 1 . . . . 85 GLU CG . 15975 1 934 . 1 1 85 85 GLU N N 15 119.323 0.2 . 1 . . . . 85 GLU N . 15975 1 935 . 1 1 86 86 ALA H H 1 8.195 0.02 . 1 . . . . 86 ALA HN . 15975 1 936 . 1 1 86 86 ALA HA H 1 4.072 0.02 . 1 . . . . 86 ALA HA . 15975 1 937 . 1 1 86 86 ALA HB1 H 1 1.481 0.02 . 1 . . . . 86 ALA HB . 15975 1 938 . 1 1 86 86 ALA HB2 H 1 1.481 0.02 . 1 . . . . 86 ALA HB . 15975 1 939 . 1 1 86 86 ALA HB3 H 1 1.481 0.02 . 1 . . . . 86 ALA HB . 15975 1 940 . 1 1 86 86 ALA C C 13 179.602 0.2 . 1 . . . . 86 ALA C . 15975 1 941 . 1 1 86 86 ALA CA C 13 55.318 0.2 . 1 . . . . 86 ALA CA . 15975 1 942 . 1 1 86 86 ALA CB C 13 17.925 0.2 . 1 . . . . 86 ALA CB . 15975 1 943 . 1 1 86 86 ALA N N 15 120.175 0.2 . 1 . . . . 86 ALA N . 15975 1 944 . 1 1 87 87 LYS H H 1 7.718 0.02 . 1 . . . . 87 LYS HN . 15975 1 945 . 1 1 87 87 LYS HA H 1 4.417 0.02 . 1 . . . . 87 LYS HA . 15975 1 946 . 1 1 87 87 LYS HB2 H 1 1.891 0.02 . 1 . . . . 87 LYS HB2 . 15975 1 947 . 1 1 87 87 LYS HB3 H 1 1.955 0.02 . 1 . . . . 87 LYS HB3 . 15975 1 948 . 1 1 87 87 LYS HD2 H 1 1.722 0.02 . 2 . . . . 87 LYS HD2 . 15975 1 949 . 1 1 87 87 LYS HD3 H 1 1.722 0.02 . 2 . . . . 87 LYS HD3 . 15975 1 950 . 1 1 87 87 LYS HE2 H 1 3.02 0.02 . 2 . . . . 87 LYS HE2 . 15975 1 951 . 1 1 87 87 LYS HE3 H 1 3.02 0.02 . 2 . . . . 87 LYS HE3 . 15975 1 952 . 1 1 87 87 LYS HG2 H 1 1.483 0.02 . 2 . . . . 87 LYS HG2 . 15975 1 953 . 1 1 87 87 LYS HG3 H 1 1.483 0.02 . 2 . . . . 87 LYS HG3 . 15975 1 954 . 1 1 87 87 LYS C C 13 175.6 0.2 . 1 . . . . 87 LYS C . 15975 1 955 . 1 1 87 87 LYS CA C 13 55.289 0.2 . 1 . . . . 87 LYS CA . 15975 1 956 . 1 1 87 87 LYS CB C 13 32.924 0.2 . 1 . . . . 87 LYS CB . 15975 1 957 . 1 1 87 87 LYS CD C 13 29.072 0.2 . 1 . . . . 87 LYS CD . 15975 1 958 . 1 1 87 87 LYS CE C 13 41.614 0.2 . 1 . . . . 87 LYS CE . 15975 1 959 . 1 1 87 87 LYS CG C 13 25.432 0.2 . 1 . . . . 87 LYS CG . 15975 1 960 . 1 1 87 87 LYS N N 15 117.62 0.2 . 1 . . . . 87 LYS N . 15975 1 961 . 1 1 88 88 ALA H H 1 8.159 0.02 . 1 . . . . 88 ALA HN . 15975 1 962 . 1 1 88 88 ALA HA H 1 4.069 0.02 . 1 . . . . 88 ALA HA . 15975 1 963 . 1 1 88 88 ALA HB1 H 1 1.486 0.02 . 1 . . . . 88 ALA HB . 15975 1 964 . 1 1 88 88 ALA HB2 H 1 1.486 0.02 . 1 . . . . 88 ALA HB . 15975 1 965 . 1 1 88 88 ALA HB3 H 1 1.486 0.02 . 1 . . . . 88 ALA HB . 15975 1 966 . 1 1 88 88 ALA C C 13 178.229 0.2 . 1 . . . . 88 ALA C . 15975 1 967 . 1 1 88 88 ALA CA C 13 52.911 0.2 . 1 . . . . 88 ALA CA . 15975 1 968 . 1 1 88 88 ALA CB C 13 18.131 0.2 . 1 . . . . 88 ALA CB . 15975 1 969 . 1 1 88 88 ALA N N 15 122.506 0.2 . 1 . . . . 88 ALA N . 15975 1 970 . 1 1 89 89 LEU H H 1 8.144 0.02 . 1 . . . . 89 LEU HN . 15975 1 971 . 1 1 89 89 LEU HA H 1 4.308 0.02 . 1 . . . . 89 LEU HA . 15975 1 972 . 1 1 89 89 LEU HB2 H 1 1.612 0.02 . 2 . . . . 89 LEU HB2 . 15975 1 973 . 1 1 89 89 LEU HB3 H 1 1.612 0.02 . 2 . . . . 89 LEU HB3 . 15975 1 974 . 1 1 89 89 LEU HD11 H 1 0.9 0.02 . 1 . . . . 89 LEU HD1 . 15975 1 975 . 1 1 89 89 LEU HD12 H 1 0.9 0.02 . 1 . . . . 89 LEU HD1 . 15975 1 976 . 1 1 89 89 LEU HD13 H 1 0.9 0.02 . 1 . . . . 89 LEU HD1 . 15975 1 977 . 1 1 89 89 LEU HG H 1 1.616 0.2 . 1 . . . . 89 LEU HG . 15975 1 978 . 1 1 89 89 LEU C C 13 177.75 0.2 . 1 . . . . 89 LEU C . 15975 1 979 . 1 1 89 89 LEU CA C 13 55.318 0.2 . 1 . . . . 89 LEU CA . 15975 1 980 . 1 1 89 89 LEU CB C 13 42.316 0.2 . 1 . . . . 89 LEU CB . 15975 1 981 . 1 1 89 89 LEU CD1 C 13 23.534 0.2 . 1 . . . . 89 LEU CD1 . 15975 1 982 . 1 1 89 89 LEU CD2 C 13 24.728 0.2 . 1 . . . . 89 LEU CD2 . 15975 1 983 . 1 1 89 89 LEU CG C 13 27.252 0.2 . 1 . . . . 89 LEU CG . 15975 1 984 . 1 1 89 89 LEU N N 15 123.423 0.2 . 1 . . . . 89 LEU N . 15975 1 985 . 1 1 90 90 ARG H H 1 8.075 0.02 . 1 . . . . 90 ARG HN . 15975 1 986 . 1 1 90 90 ARG HA H 1 4.146 0.02 . 1 . . . . 90 ARG HA . 15975 1 987 . 1 1 90 90 ARG HB2 H 1 1.863 0.02 . 1 . . . . 90 ARG HB2 . 15975 1 988 . 1 1 90 90 ARG HB3 H 1 1.955 0.02 . 1 . . . . 90 ARG HB3 . 15975 1 989 . 1 1 90 90 ARG HD2 H 1 3.247 0.02 . 2 . . . . 90 ARG HD2 . 15975 1 990 . 1 1 90 90 ARG HD3 H 1 3.247 0.02 . 2 . . . . 90 ARG HD3 . 15975 1 991 . 1 1 90 90 ARG HG2 H 1 1.801 0.02 . 2 . . . . 90 ARG HG2 . 15975 1 992 . 1 1 90 90 ARG HG3 H 1 1.801 0.02 . 2 . . . . 90 ARG HG3 . 15975 1 993 . 1 1 90 90 ARG C C 13 177.524 0.2 . 1 . . . . 90 ARG C . 15975 1 994 . 1 1 90 90 ARG CA C 13 57.567 0.2 . 1 . . . . 90 ARG CA . 15975 1 995 . 1 1 90 90 ARG CB C 13 30.33 0.2 . 1 . . . . 90 ARG CB . 15975 1 996 . 1 1 90 90 ARG CD C 13 43.498 0.2 . 1 . . . . 90 ARG CD . 15975 1 997 . 1 1 90 90 ARG CG C 13 27.906 0.2 . 1 . . . . 90 ARG CG . 15975 1 998 . 1 1 90 90 ARG N N 15 120.57 0.2 . 1 . . . . 90 ARG N . 15975 1 999 . 1 1 91 91 LYS H H 1 7.703 0.02 . 1 . . . . 91 LYS HN . 15975 1 1000 . 1 1 91 91 LYS HA H 1 4.193 0.02 . 1 . . . . 91 LYS HA . 15975 1 1001 . 1 1 91 91 LYS HB2 H 1 1.907 0.02 . 1 . . . . 91 LYS HB2 . 15975 1 1002 . 1 1 91 91 LYS HB3 H 1 1.955 0.02 . 1 . . . . 91 LYS HB3 . 15975 1 1003 . 1 1 91 91 LYS HD2 H 1 1.699 0.02 . 2 . . . . 91 LYS HD2 . 15975 1 1004 . 1 1 91 91 LYS HD3 H 1 1.699 0.02 . 2 . . . . 91 LYS HD3 . 15975 1 1005 . 1 1 91 91 LYS HE2 H 1 3.031 0.02 . 2 . . . . 91 LYS HE2 . 15975 1 1006 . 1 1 91 91 LYS HE3 H 1 3.031 0.02 . 2 . . . . 91 LYS HE3 . 15975 1 1007 . 1 1 91 91 LYS HG2 H 1 1.493 0.02 . 2 . . . . 91 LYS HG2 . 15975 1 1008 . 1 1 91 91 LYS HG3 H 1 1.493 0.02 . 2 . . . . 91 LYS HG3 . 15975 1 1009 . 1 1 91 91 LYS C C 13 177.106 0.2 . 1 . . . . 91 LYS C . 15975 1 1010 . 1 1 91 91 LYS CA C 13 57.259 0.2 . 1 . . . . 91 LYS CA . 15975 1 1011 . 1 1 91 91 LYS CB C 13 32.84 0.2 . 1 . . . . 91 LYS CB . 15975 1 1012 . 1 1 91 91 LYS CD C 13 29.153 0.2 . 1 . . . . 91 LYS CD . 15975 1 1013 . 1 1 91 91 LYS CE C 13 42.214 0.2 . 1 . . . . 91 LYS CE . 15975 1 1014 . 1 1 91 91 LYS CG C 13 24.787 0.2 . 1 . . . . 91 LYS CG . 15975 1 1015 . 1 1 91 91 LYS N N 15 118.13 0.2 . 1 . . . . 91 LYS N . 15975 1 1016 . 1 1 92 92 LEU H H 1 7.78 0.02 . 1 . . . . 92 LEU HN . 15975 1 1017 . 1 1 92 92 LEU HA H 1 4.314 0.02 . 1 . . . . 92 LEU HA . 15975 1 1018 . 1 1 92 92 LEU HB2 H 1 1.728 0.02 . 2 . . . . 92 LEU HB2 . 15975 1 1019 . 1 1 92 92 LEU HB3 H 1 1.728 0.02 . 2 . . . . 92 LEU HB3 . 15975 1 1020 . 1 1 92 92 LEU HD11 H 1 0.851 0.02 . 1 . . . . 92 LEU HD1 . 15975 1 1021 . 1 1 92 92 LEU HD12 H 1 0.851 0.02 . 1 . . . . 92 LEU HD1 . 15975 1 1022 . 1 1 92 92 LEU HD13 H 1 0.851 0.02 . 1 . . . . 92 LEU HD1 . 15975 1 1023 . 1 1 92 92 LEU HD21 H 1 0.901 0.02 . 1 . . . . 92 LEU HD2 . 15975 1 1024 . 1 1 92 92 LEU HD22 H 1 0.901 0.02 . 1 . . . . 92 LEU HD2 . 15975 1 1025 . 1 1 92 92 LEU HD23 H 1 0.901 0.02 . 1 . . . . 92 LEU HD2 . 15975 1 1026 . 1 1 92 92 LEU HG H 1 1.53 0.02 . 1 . . . . 92 LEU HG . 15975 1 1027 . 1 1 92 92 LEU C C 13 177.289 0.2 . 1 . . . . 92 LEU C . 15975 1 1028 . 1 1 92 92 LEU CA C 13 55.542 0.2 . 1 . . . . 92 LEU CA . 15975 1 1029 . 1 1 92 92 LEU CB C 13 42.305 0.2 . 1 . . . . 92 LEU CB . 15975 1 1030 . 1 1 92 92 LEU CD1 C 13 22.916 0.2 . 1 . . . . 92 LEU CD1 . 15975 1 1031 . 1 1 92 92 LEU CD2 C 13 24.787 0.2 . 1 . . . . 92 LEU CD2 . 15975 1 1032 . 1 1 92 92 LEU CG C 13 26.622 0.2 . 1 . . . . 92 LEU CG . 15975 1 1033 . 1 1 92 92 LEU N N 15 119.681 0.2 . 1 . . . . 92 LEU N . 15975 1 1034 . 1 1 93 93 ARG H H 1 7.961 0.02 . 1 . . . . 93 ARG HN . 15975 1 1035 . 1 1 93 93 ARG HA H 1 4.3 0.02 . 1 . . . . 93 ARG HA . 15975 1 1036 . 1 1 93 93 ARG HB2 H 1 1.614 0.02 . 1 . . . . 93 ARG HB2 . 15975 1 1037 . 1 1 93 93 ARG HB3 H 1 1.732 0.02 . 1 . . . . 93 ARG HB3 . 15975 1 1038 . 1 1 93 93 ARG HD2 H 1 3.183 0.02 . 1 . . . . 93 ARG HD2 . 15975 1 1039 . 1 1 93 93 ARG HD3 H 1 3.207 0.02 . 1 . . . . 93 ARG HD3 . 15975 1 1040 . 1 1 93 93 ARG HG2 H 1 1.679 0.02 . 2 . . . . 93 ARG HG2 . 15975 1 1041 . 1 1 93 93 ARG HG3 H 1 1.679 0.02 . 2 . . . . 93 ARG HG3 . 15975 1 1042 . 1 1 93 93 ARG C C 13 177.798 0.2 . 1 . . . . 93 ARG C . 15975 1 1043 . 1 1 93 93 ARG CA C 13 56.57 0.2 . 1 . . . . 93 ARG CA . 15975 1 1044 . 1 1 93 93 ARG CB C 13 30.565 0.2 . 1 . . . . 93 ARG CB . 15975 1 1045 . 1 1 93 93 ARG CD C 13 43.425 0.2 . 1 . . . . 93 ARG CD . 15975 1 1046 . 1 1 93 93 ARG CG C 13 27.282 0.2 . 1 . . . . 93 ARG CG . 15975 1 1047 . 1 1 93 93 ARG N N 15 119.052 0.2 . 1 . . . . 93 ARG N . 15975 1 1048 . 1 1 94 94 HIS H H 1 8.281 0.02 . 1 . . . . 94 HIS HN . 15975 1 1049 . 1 1 94 94 HIS HA H 1 4.658 0.02 . 1 . . . . 94 HIS HA . 15975 1 1050 . 1 1 94 94 HIS HB2 H 1 3.225 0.02 . 1 . . . . 94 HIS HB2 . 15975 1 1051 . 1 1 94 94 HIS HB3 H 1 3.28 0.02 . 1 . . . . 94 HIS HB3 . 15975 1 1052 . 1 1 94 94 HIS CA C 13 53.458 0.2 . 1 . . . . 94 HIS CA . 15975 1 1053 . 1 1 94 94 HIS CB C 13 28.628 0.2 . 1 . . . . 94 HIS CB . 15975 1 1054 . 1 1 94 94 HIS N N 15 118.157 0.2 . 1 . . . . 94 HIS N . 15975 1 1055 . 1 1 95 95 PRO HA H 1 4.546 0.02 . 1 . . . . 95 PRO HA . 15975 1 1056 . 1 1 95 95 PRO HB2 H 1 1.959 0.02 . 1 . . . . 95 PRO HB2 . 15975 1 1057 . 1 1 95 95 PRO HB3 H 1 2.194 0.02 . 1 . . . . 95 PRO HB3 . 15975 1 1058 . 1 1 95 95 PRO HD2 H 1 3.606 0.02 . 1 . . . . 95 PRO HD2 . 15975 1 1059 . 1 1 95 95 PRO HG2 H 1 1.998 0.02 . 2 . . . . 95 PRO HG2 . 15975 1 1060 . 1 1 95 95 PRO HG3 H 1 1.998 0.02 . 2 . . . . 95 PRO HG3 . 15975 1 1061 . 1 1 95 95 PRO C C 13 176.601 0.2 . 1 . . . . 95 PRO C . 15975 1 1062 . 1 1 95 95 PRO CA C 13 62.997 0.2 . 1 . . . . 95 PRO CA . 15975 1 1063 . 1 1 95 95 PRO CB C 13 32.267 0.2 . 1 . . . . 95 PRO CB . 15975 1 1064 . 1 1 95 95 PRO CD C 13 50.414 0.2 . 1 . . . . 95 PRO CD . 15975 1 1065 . 1 1 95 95 PRO CG C 13 27.227 0.2 . 1 . . . . 95 PRO CG . 15975 1 1066 . 1 1 96 96 SER H H 1 8.273 0.02 . 1 . . . . 96 SER HN . 15975 1 1067 . 1 1 96 96 SER HA H 1 4.538 0.02 . 1 . . . . 96 SER HA . 15975 1 1068 . 1 1 96 96 SER HB2 H 1 3.948 0.02 . 2 . . . . 96 SER HB2 . 15975 1 1069 . 1 1 96 96 SER HB3 H 1 3.948 0.02 . 2 . . . . 96 SER HB3 . 15975 1 1070 . 1 1 96 96 SER C C 13 174.777 0.2 . 1 . . . . 96 SER C . 15975 1 1071 . 1 1 96 96 SER CA C 13 58.507 0.2 . 1 . . . . 96 SER CA . 15975 1 1072 . 1 1 96 96 SER CB C 13 64.67 0.2 . 1 . . . . 96 SER CB . 15975 1 1073 . 1 1 96 96 SER N N 15 116.032 0.2 . 1 . . . . 96 SER N . 15975 1 1074 . 1 1 97 97 ARG H H 1 8.672 0.02 . 1 . . . . 97 ARG HN . 15975 1 1075 . 1 1 97 97 ARG HA H 1 4.186 0.02 . 1 . . . . 97 ARG HA . 15975 1 1076 . 1 1 97 97 ARG HB2 H 1 1.838 0.02 . 1 . . . . 97 ARG HB2 . 15975 1 1077 . 1 1 97 97 ARG HB3 H 1 1.93 0.02 . 1 . . . . 97 ARG HB3 . 15975 1 1078 . 1 1 97 97 ARG HD2 H 1 3.221 0.02 . 2 . . . . 97 ARG HD2 . 15975 1 1079 . 1 1 97 97 ARG HD3 H 1 3.221 0.02 . 2 . . . . 97 ARG HD3 . 15975 1 1080 . 1 1 97 97 ARG HG2 H 1 1.724 0.02 . 2 . . . . 97 ARG HG2 . 15975 1 1081 . 1 1 97 97 ARG HG3 H 1 1.724 0.02 . 2 . . . . 97 ARG HG3 . 15975 1 1082 . 1 1 97 97 ARG C C 13 177.218 0.2 . 1 . . . . 97 ARG C . 15975 1 1083 . 1 1 97 97 ARG CA C 13 58.36 0.2 . 1 . . . . 97 ARG CA . 15975 1 1084 . 1 1 97 97 ARG CB C 13 30.506 0.2 . 1 . . . . 97 ARG CB . 15975 1 1085 . 1 1 97 97 ARG CD C 13 43.456 0.2 . 1 . . . . 97 ARG CD . 15975 1 1086 . 1 1 97 97 ARG CG C 13 27.245 0.2 . 1 . . . . 97 ARG CG . 15975 1 1087 . 1 1 97 97 ARG N N 15 122.528 0.2 . 1 . . . . 97 ARG N . 15975 1 1088 . 1 1 98 98 SER H H 1 8.273 0.02 . 1 . . . . 98 SER HN . 15975 1 1089 . 1 1 98 98 SER HA H 1 4.193 0.02 . 1 . . . . 98 SER HA . 15975 1 1090 . 1 1 98 98 SER HB2 H 1 3.837 0.02 . 2 . . . . 98 SER HB2 . 15975 1 1091 . 1 1 98 98 SER HB3 H 1 3.837 0.02 . 2 . . . . 98 SER HB3 . 15975 1 1092 . 1 1 98 98 SER C C 13 175.791 0.2 . 1 . . . . 98 SER C . 15975 1 1093 . 1 1 98 98 SER CA C 13 60.326 0.2 . 1 . . . . 98 SER CA . 15975 1 1094 . 1 1 98 98 SER CB C 13 63.056 0.2 . 1 . . . . 98 SER CB . 15975 1 1095 . 1 1 98 98 SER N N 15 113.375 0.2 . 1 . . . . 98 SER N . 15975 1 1096 . 1 1 99 99 GLU H H 1 7.903 0.02 . 1 . . . . 99 GLU HN . 15975 1 1097 . 1 1 99 99 GLU HA H 1 4.182 0.02 . 1 . . . . 99 GLU HA . 15975 1 1098 . 1 1 99 99 GLU HB2 H 1 2.091 0.02 . 2 . . . . 99 GLU HB2 . 15975 1 1099 . 1 1 99 99 GLU HB3 H 1 2.179 0.02 . 2 . . . . 99 GLU HB3 . 15975 1 1100 . 1 1 99 99 GLU HG2 H 1 2.402 0.02 . 2 . . . . 99 GLU HG2 . 15975 1 1101 . 1 1 99 99 GLU HG3 H 1 2.439 0.02 . 2 . . . . 99 GLU HG3 . 15975 1 1102 . 1 1 99 99 GLU C C 13 177.528 0.2 . 1 . . . . 99 GLU C . 15975 1 1103 . 1 1 99 99 GLU CA C 13 57.832 0.2 . 1 . . . . 99 GLU CA . 15975 1 1104 . 1 1 99 99 GLU CB C 13 28.628 0.2 . 1 . . . . 99 GLU CB . 15975 1 1105 . 1 1 99 99 GLU CG C 13 33.624 0.2 . 1 . . . . 99 GLU CG . 15975 1 1106 . 1 1 99 99 GLU N N 15 121.611 0.2 . 1 . . . . 99 GLU N . 15975 1 1107 . 1 1 100 100 VAL H H 1 7.969 0.02 . 1 . . . . 100 VAL HN . 15975 1 1108 . 1 1 100 100 VAL HA H 1 4.185 0.02 . 1 . . . . 100 VAL HA . 15975 1 1109 . 1 1 100 100 VAL HB H 1 2.184 0.02 . 1 . . . . 100 VAL HB . 15975 1 1110 . 1 1 100 100 VAL HG11 H 1 0.907 0.02 . 1 . . . . 100 VAL HG1 . 15975 1 1111 . 1 1 100 100 VAL HG12 H 1 0.907 0.02 . 1 . . . . 100 VAL HG1 . 15975 1 1112 . 1 1 100 100 VAL HG13 H 1 0.907 0.02 . 1 . . . . 100 VAL HG1 . 15975 1 1113 . 1 1 100 100 VAL HG21 H 1 1.006 0.02 . 1 . . . . 100 VAL HG2 . 15975 1 1114 . 1 1 100 100 VAL HG22 H 1 1.006 0.02 . 1 . . . . 100 VAL HG2 . 15975 1 1115 . 1 1 100 100 VAL HG23 H 1 1.006 0.02 . 1 . . . . 100 VAL HG2 . 15975 1 1116 . 1 1 100 100 VAL C C 13 177.349 0.2 . 1 . . . . 100 VAL C . 15975 1 1117 . 1 1 100 100 VAL CA C 13 59.163 0.2 . 1 . . . . 100 VAL CA . 15975 1 1118 . 1 1 100 100 VAL CB C 13 32.248 0.2 . 1 . . . . 100 VAL CB . 15975 1 1119 . 1 1 100 100 VAL CG1 C 13 19.112 0.2 . 1 . . . . 100 VAL CG1 . 15975 1 1120 . 1 1 100 100 VAL CG2 C 13 21.049 0.2 . 1 . . . . 100 VAL CG2 . 15975 1 1121 . 1 1 100 100 VAL N N 15 120.38 0.2 . 1 . . . . 100 VAL N . 15975 1 1122 . 1 1 101 101 LEU H H 1 8.153 0.02 . 1 . . . . 101 LEU HN . 15975 1 1123 . 1 1 101 101 LEU HA H 1 4.299 0.02 . 1 . . . . 101 LEU HA . 15975 1 1124 . 1 1 101 101 LEU HB2 H 1 1.61 0.02 . 2 . . . . 101 LEU HB2 . 15975 1 1125 . 1 1 101 101 LEU HB3 H 1 1.61 0.02 . 2 . . . . 101 LEU HB3 . 15975 1 1126 . 1 1 101 101 LEU HD11 H 1 0.892 0.02 . 1 . . . . 101 LEU HD1 . 15975 1 1127 . 1 1 101 101 LEU HD12 H 1 0.892 0.02 . 1 . . . . 101 LEU HD1 . 15975 1 1128 . 1 1 101 101 LEU HD13 H 1 0.892 0.02 . 1 . . . . 101 LEU HD1 . 15975 1 1129 . 1 1 101 101 LEU HG H 1 1.607 0.02 . 1 . . . . 101 LEU HG . 15975 1 1130 . 1 1 101 101 LEU C C 13 178.231 0.2 . 1 . . . . 101 LEU C . 15975 1 1131 . 1 1 101 101 LEU CA C 13 54.085 0.2 . 1 . . . . 101 LEU CA . 15975 1 1132 . 1 1 101 101 LEU CB C 13 41.611 0.2 . 1 . . . . 101 LEU CB . 15975 1 1133 . 1 1 101 101 LEU CD1 C 13 23.495 0.2 . 1 . . . . 101 LEU CD1 . 15975 1 1134 . 1 1 101 101 LEU CD2 C 13 24.767 0.2 . 1 . . . . 101 LEU CD2 . 15975 1 1135 . 1 1 101 101 LEU CG C 13 26.704 0.2 . 1 . . . . 101 LEU CG . 15975 1 1136 . 1 1 101 101 LEU N N 15 121.6 0.2 . 1 . . . . 101 LEU N . 15975 1 1137 . 1 1 102 102 ARG H H 1 8.043 0.02 . 1 . . . . 102 ARG HN . 15975 1 1138 . 1 1 102 102 ARG HA H 1 4.094 0.02 . 1 . . . . 102 ARG HA . 15975 1 1139 . 1 1 102 102 ARG HB2 H 1 1.76 0.02 . 1 . . . . 102 ARG HB2 . 15975 1 1140 . 1 1 102 102 ARG HB3 H 1 1.868 0.02 . 1 . . . . 102 ARG HB3 . 15975 1 1141 . 1 1 102 102 ARG HD2 H 1 3.151 0.02 . 2 . . . . 102 ARG HD2 . 15975 1 1142 . 1 1 102 102 ARG HD3 H 1 3.151 0.02 . 2 . . . . 102 ARG HD3 . 15975 1 1143 . 1 1 102 102 ARG HG2 H 1 1.797 0.02 . 2 . . . . 102 ARG HG2 . 15975 1 1144 . 1 1 102 102 ARG HG3 H 1 1.797 0.02 . 2 . . . . 102 ARG HG3 . 15975 1 1145 . 1 1 102 102 ARG C C 13 177.412 0.2 . 1 . . . . 102 ARG C . 15975 1 1146 . 1 1 102 102 ARG CA C 13 58.095 0.2 . 1 . . . . 102 ARG CA . 15975 1 1147 . 1 1 102 102 ARG CB C 13 30.036 0.2 . 1 . . . . 102 ARG CB . 15975 1 1148 . 1 1 102 102 ARG CD C 13 43.058 0.2 . 1 . . . . 102 ARG CD . 15975 1 1149 . 1 1 102 102 ARG CG C 13 27.576 0.2 . 1 . . . . 102 ARG CG . 15975 1 1150 . 1 1 102 102 ARG N N 15 119.854 0.2 . 1 . . . . 102 ARG N . 15975 1 1151 . 1 1 103 103 SER H H 1 7.878 0.02 . 1 . . . . 103 SER HN . 15975 1 1152 . 1 1 103 103 SER HA H 1 4.307 0.02 . 1 . . . . 103 SER HA . 15975 1 1153 . 1 1 103 103 SER HB2 H 1 3.841 0.02 . 2 . . . . 103 SER HB2 . 15975 1 1154 . 1 1 103 103 SER HB3 H 1 3.887 0.02 . 2 . . . . 103 SER HB3 . 15975 1 1155 . 1 1 103 103 SER C C 13 175 0.2 . 1 . . . . 103 SER C . 15975 1 1156 . 1 1 103 103 SER CA C 13 60.268 0.2 . 1 . . . . 103 SER CA . 15975 1 1157 . 1 1 103 103 SER CB C 13 63.408 0.2 . 1 . . . . 103 SER CB . 15975 1 1158 . 1 1 103 103 SER N N 15 114.482 0.2 . 1 . . . . 103 SER N . 15975 1 1159 . 1 1 104 104 PHE H H 1 7.889 0.02 . 1 . . . . 104 PHE HN . 15975 1 1160 . 1 1 104 104 PHE HA H 1 4.546 0.02 . 1 . . . . 104 PHE HA . 15975 1 1161 . 1 1 104 104 PHE HB2 H 1 3.137 0.02 . 2 . . . . 104 PHE HB2 . 15975 1 1162 . 1 1 104 104 PHE HB3 H 1 3.258 0.02 . 2 . . . . 104 PHE HB3 . 15975 1 1163 . 1 1 104 104 PHE C C 13 176.315 0.2 . 1 . . . . 104 PHE C . 15975 1 1164 . 1 1 104 104 PHE CA C 13 58.888 0.2 . 1 . . . . 104 PHE CA . 15975 1 1165 . 1 1 104 104 PHE CB C 13 39.223 0.2 . 1 . . . . 104 PHE CB . 15975 1 1166 . 1 1 104 104 PHE N N 15 120.575 0.2 . 1 . . . . 104 PHE N . 15975 1 1167 . 1 1 105 105 LEU H H 1 7.911 0.02 . 1 . . . . 105 LEU HN . 15975 1 1168 . 1 1 105 105 LEU HA H 1 4.303 0.02 . 1 . . . . 105 LEU HA . 15975 1 1169 . 1 1 105 105 LEU HB2 H 1 1.6 0.02 . 2 . . . . 105 LEU HB2 . 15975 1 1170 . 1 1 105 105 LEU HB3 H 1 1.684 0.02 . 2 . . . . 105 LEU HB3 . 15975 1 1171 . 1 1 105 105 LEU HD11 H 1 0.865 0.02 . 1 . . . . 105 LEU HD1 . 15975 1 1172 . 1 1 105 105 LEU HD12 H 1 0.865 0.02 . 1 . . . . 105 LEU HD1 . 15975 1 1173 . 1 1 105 105 LEU HD13 H 1 0.865 0.02 . 1 . . . . 105 LEU HD1 . 15975 1 1174 . 1 1 105 105 LEU HD21 H 1 0.925 0.02 . 1 . . . . 105 LEU HD2 . 15975 1 1175 . 1 1 105 105 LEU HD22 H 1 0.925 0.02 . 1 . . . . 105 LEU HD2 . 15975 1 1176 . 1 1 105 105 LEU HD23 H 1 0.925 0.02 . 1 . . . . 105 LEU HD2 . 15975 1 1177 . 1 1 105 105 LEU HG H 1 1.574 0.02 . 1 . . . . 105 LEU HG . 15975 1 1178 . 1 1 105 105 LEU C C 13 177.023 0.2 . 1 . . . . 105 LEU C . 15975 1 1179 . 1 1 105 105 LEU CA C 13 55.454 0.2 . 1 . . . . 105 LEU CA . 15975 1 1180 . 1 1 105 105 LEU CB C 13 42.305 0.2 . 1 . . . . 105 LEU CB . 15975 1 1181 . 1 1 105 105 LEU CD1 C 13 22.916 0.2 . 1 . . . . 105 LEU CD1 . 15975 1 1182 . 1 1 105 105 LEU CD2 C 13 24.824 0.2 . 1 . . . . 105 LEU CD2 . 15975 1 1183 . 1 1 105 105 LEU CG C 13 26.658 0.2 . 1 . . . . 105 LEU CG . 15975 1 1184 . 1 1 105 105 LEU N N 15 119.53 0.2 . 1 . . . . 105 LEU N . 15975 1 1185 . 1 1 106 106 ASP H H 1 8.027 0.02 . 1 . . . . 106 ASP HN . 15975 1 1186 . 1 1 106 106 ASP HA H 1 4.773 0.02 . 1 . . . . 106 ASP HA . 15975 1 1187 . 1 1 106 106 ASP HB2 H 1 1.607 0.02 . 2 . . . . 106 ASP HB2 . 15975 1 1188 . 1 1 106 106 ASP HB3 H 1 1.673 0.02 . 2 . . . . 106 ASP HB3 . 15975 1 1189 . 1 1 106 106 ASP C C 13 176.407 0.2 . 1 . . . . 106 ASP C . 15975 1 1190 . 1 1 106 106 ASP CA C 13 52.842 0.2 . 1 . . . . 106 ASP CA . 15975 1 1191 . 1 1 106 106 ASP CB C 13 39.165 0.2 . 1 . . . . 106 ASP CB . 15975 1 1192 . 1 1 106 106 ASP N N 15 117.49 0.2 . 1 . . . . 106 ASP N . 15975 1 1193 . 1 1 107 107 ASP H H 1 7.897 0.02 . 1 . . . . 107 ASP HN . 15975 1 1194 . 1 1 107 107 ASP CA C 13 52.358 0.2 . 1 . . . . 107 ASP CA . 15975 1 1195 . 1 1 107 107 ASP CB C 13 39.414 0.2 . 1 . . . . 107 ASP CB . 15975 1 1196 . 1 1 107 107 ASP N N 15 120.245 0.2 . 1 . . . . 107 ASP N . 15975 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 15975 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 800 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1.56E+07 _Heteronucl_NOE_list.NOE_ref_description 'the highest i,i+3 peak in helical regions' _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 11 '{1H-} -15N NOE' . . . 15975 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 3 3 SER N N 15 . 1 1 3 3 SER H H 1 -0.755021667 -0.101981042 . . . . . . . . . . 15975 1 2 . 1 1 4 4 SER N N 15 . 1 1 4 4 SER H H 1 -0.841214292 -0.067737341 . . . . . . . . . . 15975 1 3 . 1 1 5 5 HIS N N 15 . 1 1 5 5 HIS H H 1 0.07153065 0.016848012 . . . . . . . . . . 15975 1 4 . 1 1 6 6 HIS N N 15 . 1 1 6 6 HIS H H 1 -0.062846391 -0.011265468 . . . . . . . . . . 15975 1 5 . 1 1 7 7 HIS N N 15 . 1 1 7 7 HIS H H 1 -0.132338861 -0.014415827 . . . . . . . . . . 15975 1 6 . 1 1 8 8 HIS N N 15 . 1 1 8 8 HIS H H 1 0.100956185 0.012137016 . . . . . . . . . . 15975 1 7 . 1 1 9 9 HIS N N 15 . 1 1 9 9 HIS H H 1 0.197168591 0.029640939 . . . . . . . . . . 15975 1 8 . 1 1 10 10 HIS N N 15 . 1 1 10 10 HIS H H 1 0.087956978 0.016482725 . . . . . . . . . . 15975 1 9 . 1 1 11 11 SER N N 15 . 1 1 11 11 SER H H 1 0.217794493 0.023266324 . . . . . . . . . . 15975 1 10 . 1 1 12 12 SER N N 15 . 1 1 12 12 SER H H 1 0.296657579 0.060279185 . . . . . . . . . . 15975 1 11 . 1 1 13 13 GLY N N 15 . 1 1 13 13 GLY H H 1 -0.157290701 -0.013935992 . . . . . . . . . . 15975 1 12 . 1 1 14 14 LEU N N 15 . 1 1 14 14 LEU H H 1 0.407696173 0.095357337 . . . . . . . . . . 15975 1 13 . 1 1 15 15 VAL N N 15 . 1 1 15 15 VAL H H 1 0.350703425 0.052722285 . . . . . . . . . . 15975 1 14 . 1 1 17 17 ARG N N 15 . 1 1 17 17 ARG H H 1 0.031299169 0.005321411 . . . . . . . . . . 15975 1 15 . 1 1 18 18 GLY N N 15 . 1 1 18 18 GLY H H 1 0.016095481 0.002162433 . . . . . . . . . . 15975 1 16 . 1 1 19 19 SER N N 15 . 1 1 19 19 SER H H 1 0.152828758 0.030689674 . . . . . . . . . . 15975 1 17 . 1 1 20 20 HIS N N 15 . 1 1 20 20 HIS H H 1 0.405713235 0.130134694 . . . . . . . . . . 15975 1 18 . 1 1 21 21 MET N N 15 . 1 1 21 21 MET H H 1 0.386988986 0.104005045 . . . . . . . . . . 15975 1 19 . 1 1 22 22 LEU N N 15 . 1 1 22 22 LEU H H 1 0.136891615 0.036390004 . . . . . . . . . . 15975 1 20 . 1 1 24 24 LEU N N 15 . 1 1 24 24 LEU H H 1 0.399299178 0.052936892 . . . . . . . . . . 15975 1 21 . 1 1 26 26 LEU N N 15 . 1 1 26 26 LEU H H 1 0.64274062 0.091445525 . . . . . . . . . . 15975 1 22 . 1 1 27 27 ASP N N 15 . 1 1 27 27 ASP H H 1 0.480553177 0.118439543 . . . . . . . . . . 15975 1 23 . 1 1 28 28 SER N N 15 . 1 1 28 28 SER H H 1 0.459568595 0.099840682 . . . . . . . . . . 15975 1 24 . 1 1 29 29 ALA N N 15 . 1 1 29 29 ALA H H 1 0.529806647 0.060694664 . . . . . . . . . . 15975 1 25 . 1 1 30 30 THR N N 15 . 1 1 30 30 THR H H 1 0.439089301 0.049996444 . . . . . . . . . . 15975 1 26 . 1 1 31 31 THR N N 15 . 1 1 31 31 THR H H 1 0.551186582 0.143830129 . . . . . . . . . . 15975 1 27 . 1 1 32 32 GLU N N 15 . 1 1 32 32 GLU H H 1 0.585534628 0.032774251 . . . . . . . . . . 15975 1 28 . 1 1 33 33 SER N N 15 . 1 1 33 33 SER H H 1 0.44250238 0.072927023 . . . . . . . . . . 15975 1 29 . 1 1 34 34 LEU N N 15 . 1 1 34 34 LEU H H 1 0.400901709 0.040704852 . . . . . . . . . . 15975 1 30 . 1 1 35 35 ARG N N 15 . 1 1 35 35 ARG H H 1 0.547059699 0.15003106 . . . . . . . . . . 15975 1 31 . 1 1 36 36 ALA N N 15 . 1 1 36 36 ALA H H 1 0.561935504 0.101343319 . . . . . . . . . . 15975 1 32 . 1 1 37 37 ALA N N 15 . 1 1 37 37 ALA H H 1 0.533805852 0.089914204 . . . . . . . . . . 15975 1 33 . 1 1 38 38 THR N N 15 . 1 1 38 38 THR H H 1 0.601843723 0.106960685 . . . . . . . . . . 15975 1 34 . 1 1 39 39 HIS N N 15 . 1 1 39 39 HIS H H 1 0.642054915 0.189979916 . . . . . . . . . . 15975 1 35 . 1 1 40 40 ASP N N 15 . 1 1 40 40 ASP H H 1 0.420068299 0.078084132 . . . . . . . . . . 15975 1 36 . 1 1 41 41 VAL N N 15 . 1 1 41 41 VAL H H 1 0.188642893 0.171626159 . . . . . . . . . . 15975 1 37 . 1 1 42 42 LEU N N 15 . 1 1 42 42 LEU H H 1 0.41332718 0.140629676 . . . . . . . . . . 15975 1 38 . 1 1 43 43 ALA N N 15 . 1 1 43 43 ALA H H 1 0.86736867 0.117466827 . . . . . . . . . . 15975 1 39 . 1 1 44 44 GLY N N 15 . 1 1 44 44 GLY H H 1 0.6144479 0.082583261 . . . . . . . . . . 15975 1 40 . 1 1 45 45 LEU N N 15 . 1 1 45 45 LEU H H 1 0.809822017 0.834120216 . . . . . . . . . . 15975 1 41 . 1 1 46 46 THR N N 15 . 1 1 46 46 THR H H 1 0.578401791 0.153913575 . . . . . . . . . . 15975 1 42 . 1 1 47 47 ALA N N 15 . 1 1 47 47 ALA H H 1 0.990367908 0.206388965 . . . . . . . . . . 15975 1 43 . 1 1 48 48 ARG N N 15 . 1 1 48 48 ARG H H 1 0.567703822 0.151338595 . . . . . . . . . . 15975 1 44 . 1 1 49 49 GLU N N 15 . 1 1 49 49 GLU H H 1 0.579941659 0.043676961 . . . . . . . . . . 15975 1 45 . 1 1 50 50 ALA N N 15 . 1 1 50 50 ALA H H 1 0.778496785 0.070495882 . . . . . . . . . . 15975 1 46 . 1 1 51 51 LYS N N 15 . 1 1 51 51 LYS H H 1 0.646749176 0.121569923 . . . . . . . . . . 15975 1 47 . 1 1 52 52 VAL N N 15 . 1 1 52 52 VAL H H 1 0.671239206 0.249502421 . . . . . . . . . . 15975 1 48 . 1 1 53 53 LEU N N 15 . 1 1 53 53 LEU H H 1 0.388435668 0.081606627 . . . . . . . . . . 15975 1 49 . 1 1 54 54 ARG N N 15 . 1 1 54 54 ARG H H 1 0.660331681 0.111877025 . . . . . . . . . . 15975 1 50 . 1 1 55 55 MET N N 15 . 1 1 55 55 MET H H 1 0.640572223 0.547943922 . . . . . . . . . . 15975 1 51 . 1 1 56 56 ARG N N 15 . 1 1 56 56 ARG H H 1 0.255173799 0.044418569 . . . . . . . . . . 15975 1 52 . 1 1 57 57 PHE N N 15 . 1 1 57 57 PHE H H 1 0.442742244 0.023532073 . . . . . . . . . . 15975 1 53 . 1 1 58 58 GLY N N 15 . 1 1 58 58 GLY H H 1 0.645333574 0.064381525 . . . . . . . . . . 15975 1 54 . 1 1 59 59 ILE N N 15 . 1 1 59 59 ILE H H 1 0.776530681 0.147303592 . . . . . . . . . . 15975 1 55 . 1 1 60 60 ASP N N 15 . 1 1 60 60 ASP H H 1 0.539287392 0.156426813 . . . . . . . . . . 15975 1 56 . 1 1 61 61 MET N N 15 . 1 1 61 61 MET H H 1 0.6883912 0.105505917 . . . . . . . . . . 15975 1 57 . 1 1 62 62 ASN N N 15 . 1 1 62 62 ASN H H 1 0.55324146 0.059101105 . . . . . . . . . . 15975 1 58 . 1 1 63 63 THR N N 15 . 1 1 63 63 THR H H 1 0.67994797 0.336115139 . . . . . . . . . . 15975 1 59 . 1 1 64 64 ASP N N 15 . 1 1 64 64 ASP H H 1 0.544578918 0.043501597 . . . . . . . . . . 15975 1 60 . 1 1 65 65 TYR N N 15 . 1 1 65 65 TYR H H 1 0.087706337 0.01780633 . . . . . . . . . . 15975 1 61 . 1 1 66 66 THR N N 15 . 1 1 66 66 THR H H 1 0.101838537 0.011911627 . . . . . . . . . . 15975 1 62 . 1 1 67 67 LEU N N 15 . 1 1 67 67 LEU H H 1 0.099389456 0.038264941 . . . . . . . . . . 15975 1 63 . 1 1 68 68 GLU N N 15 . 1 1 68 68 GLU H H 1 0.784293613 0.59253629 . . . . . . . . . . 15975 1 64 . 1 1 69 69 GLU N N 15 . 1 1 69 69 GLU H H 1 0.771584949 0.290421541 . . . . . . . . . . 15975 1 65 . 1 1 70 70 VAL N N 15 . 1 1 70 70 VAL H H 1 0.852592036 0.025089974 . . . . . . . . . . 15975 1 66 . 1 1 71 71 GLY N N 15 . 1 1 71 71 GLY H H 1 0.598800547 0.076594993 . . . . . . . . . . 15975 1 67 . 1 1 72 72 LYS N N 15 . 1 1 72 72 LYS H H 1 1.03471027 0.11194494 . . . . . . . . . . 15975 1 68 . 1 1 73 73 GLN N N 15 . 1 1 73 73 GLN H H 1 0.723238997 0.434641967 . . . . . . . . . . 15975 1 69 . 1 1 75 75 ASP N N 15 . 1 1 75 75 ASP H H 1 0.76396235 0.197305017 . . . . . . . . . . 15975 1 70 . 1 1 76 76 VAL N N 15 . 1 1 76 76 VAL H H 1 0.662975556 0.510465347 . . . . . . . . . . 15975 1 71 . 1 1 77 77 THR N N 15 . 1 1 77 77 THR H H 1 0.473668925 1.241957393 . . . . . . . . . . 15975 1 72 . 1 1 78 78 ARG N N 15 . 1 1 78 78 ARG H H 1 0.736873913 0.09642918 . . . . . . . . . . 15975 1 73 . 1 1 79 79 GLU N N 15 . 1 1 79 79 GLU H H 1 0.527946325 0.346501755 . . . . . . . . . . 15975 1 74 . 1 1 80 80 ARG N N 15 . 1 1 80 80 ARG H H 1 0.538057349 0 . . . . . . . . . . 15975 1 75 . 1 1 81 81 ILE N N 15 . 1 1 81 81 ILE H H 1 0.68337358 0.107576547 . . . . . . . . . . 15975 1 76 . 1 1 82 82 ARG N N 15 . 1 1 82 82 ARG H H 1 0.904915578 0.121622808 . . . . . . . . . . 15975 1 77 . 1 1 83 83 GLN N N 15 . 1 1 83 83 GLN H H 1 0.625383596 0.19881396 . . . . . . . . . . 15975 1 78 . 1 1 84 84 ILE N N 15 . 1 1 84 84 ILE H H 1 1.063341466 0.165160584 . . . . . . . . . . 15975 1 79 . 1 1 85 85 GLU N N 15 . 1 1 85 85 GLU H H 1 -1.002505124 -0.003007515 . . . . . . . . . . 15975 1 80 . 1 1 86 86 ALA N N 15 . 1 1 86 86 ALA H H 1 0.559657688 0.111359224 . . . . . . . . . . 15975 1 81 . 1 1 87 87 LYS N N 15 . 1 1 87 87 LYS H H 1 0.72446473 0.189905132 . . . . . . . . . . 15975 1 82 . 1 1 88 88 ALA N N 15 . 1 1 88 88 ALA H H 1 0.089969177 0.01682592 . . . . . . . . . . 15975 1 83 . 1 1 89 89 LEU N N 15 . 1 1 89 89 LEU H H 1 0.322083301 0.028139465 . . . . . . . . . . 15975 1 84 . 1 1 90 90 ARG N N 15 . 1 1 90 90 ARG H H 1 0.166851596 0.034113297 . . . . . . . . . . 15975 1 85 . 1 1 91 91 LYS N N 15 . 1 1 91 91 LYS H H 1 0.508334748 0.147491556 . . . . . . . . . . 15975 1 86 . 1 1 92 92 LEU N N 15 . 1 1 92 92 LEU H H 1 0.350214655 0.265522996 . . . . . . . . . . 15975 1 87 . 1 1 93 93 ARG N N 15 . 1 1 93 93 ARG H H 1 0.395394877 0.324386015 . . . . . . . . . . 15975 1 88 . 1 1 94 94 HIS N N 15 . 1 1 94 94 HIS H H 1 0.552968728 0.137229861 . . . . . . . . . . 15975 1 89 . 1 1 96 96 SER N N 15 . 1 1 96 96 SER H H 1 0.45885922 0.076847618 . . . . . . . . . . 15975 1 90 . 1 1 97 97 ARG N N 15 . 1 1 97 97 ARG H H 1 0.38519635 0.065602229 . . . . . . . . . . 15975 1 91 . 1 1 98 98 SER N N 15 . 1 1 98 98 SER H H 1 0.624615479 0.181325777 . . . . . . . . . . 15975 1 92 . 1 1 99 99 GLU N N 15 . 1 1 99 99 GLU H H 1 0.554190973 0.107067918 . . . . . . . . . . 15975 1 93 . 1 1 100 100 VAL N N 15 . 1 1 100 100 VAL H H 1 0.507907502 0.086197754 . . . . . . . . . . 15975 1 94 . 1 1 101 101 LEU N N 15 . 1 1 101 101 LEU H H 1 0.629729211 0.147765124 . . . . . . . . . . 15975 1 95 . 1 1 102 102 ARG N N 15 . 1 1 102 102 ARG H H 1 0.573040689 0.190677083 . . . . . . . . . . 15975 1 96 . 1 1 103 103 SER N N 15 . 1 1 103 103 SER H H 1 0.383305678 0.080053095 . . . . . . . . . . 15975 1 97 . 1 1 104 104 PHE N N 15 . 1 1 104 104 PHE H H 1 0.237125884 0.090408111 . . . . . . . . . . 15975 1 98 . 1 1 105 105 LEU N N 15 . 1 1 105 105 LEU H H 1 0.383726203 0.09429442 . . . . . . . . . . 15975 1 99 . 1 1 106 106 ASP N N 15 . 1 1 106 106 ASP H H 1 0.681296587 0.116647049 . . . . . . . . . . 15975 1 100 . 1 1 107 107 ASP N N 15 . 1 1 107 107 ASP H H 1 -0.749460779 -6.387096296 . . . . . . . . . . 15975 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 15975 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 800 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details '0.01, 0.09, 0.17, 0.29, 0.41, 0.55, 0.69, 0.85, 1.01, 1.25' _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 12 '{1H-} -15N T1' . . . 15975 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 SER N N 15 1.9577 0.1225 . . . . . 15975 1 2 . 1 1 4 4 SER N N 15 1.6597 0.0257 . . . . . 15975 1 3 . 1 1 5 5 HIS N N 15 1.419 0.0164 . . . . . 15975 1 4 . 1 1 6 6 HIS N N 15 1.4224 0.0236 . . . . . 15975 1 5 . 1 1 7 7 HIS N N 15 1.2246 0.0218 . . . . . 15975 1 6 . 1 1 8 8 HIS N N 15 1.4106 0.0852 . . . . . 15975 1 7 . 1 1 9 9 HIS N N 15 1.3629 0.0471 . . . . . 15975 1 8 . 1 1 10 10 HIS N N 15 1.34 0.0393 . . . . . 15975 1 9 . 1 1 11 11 SER N N 15 1.2684 0.0604 . . . . . 15975 1 10 . 1 1 12 12 SER N N 15 1.2108 0.0337 . . . . . 15975 1 11 . 1 1 13 13 GLY N N 15 1.2188 0.0644 . . . . . 15975 1 12 . 1 1 14 14 LEU N N 15 1.2748 0.0211 . . . . . 15975 1 13 . 1 1 15 15 VAL N N 15 1.1714 0.0335 . . . . . 15975 1 14 . 1 1 17 17 ARG N N 15 1.2533 0.033 . . . . . 15975 1 15 . 1 1 18 18 GLY N N 15 1.3865 0.0448 . . . . . 15975 1 16 . 1 1 19 19 SER N N 15 1.3504 0.0446 . . . . . 15975 1 17 . 1 1 20 20 HIS N N 15 1.5251 0.0508 . . . . . 15975 1 18 . 1 1 21 21 MET N N 15 1.3554 0.0518 . . . . . 15975 1 19 . 1 1 22 22 LEU N N 15 1.1576 0.0364 . . . . . 15975 1 20 . 1 1 23 23 GLU N N 15 1.2438 0.0232 . . . . . 15975 1 21 . 1 1 24 24 LEU N N 15 1.2204 0.0328 . . . . . 15975 1 22 . 1 1 26 26 LEU N N 15 1.2579 0.0207 . . . . . 15975 1 23 . 1 1 27 27 ASP N N 15 1.3247 0.0368 . . . . . 15975 1 24 . 1 1 28 28 SER N N 15 1.3074 0.035 . . . . . 15975 1 25 . 1 1 29 29 ALA N N 15 1.3973 0.0459 . . . . . 15975 1 26 . 1 1 30 30 THR N N 15 1.2942 0.0274 . . . . . 15975 1 27 . 1 1 31 31 THR N N 15 1.3222 0.0285 . . . . . 15975 1 28 . 1 1 32 32 GLU N N 15 1.2556 0.0259 . . . . . 15975 1 29 . 1 1 33 33 SER N N 15 1.4166 0.0235 . . . . . 15975 1 30 . 1 1 34 34 LEU N N 15 1.2064 0.0207 . . . . . 15975 1 31 . 1 1 35 35 ARG N N 15 1.1947 0.0348 . . . . . 15975 1 32 . 1 1 36 36 ALA N N 15 1.1299 0.0247 . . . . . 15975 1 33 . 1 1 37 37 ALA N N 15 1.393 0.0706 . . . . . 15975 1 34 . 1 1 38 38 THR N N 15 1.2027 0.0372 . . . . . 15975 1 35 . 1 1 39 39 HIS N N 15 1.2447 0.0513 . . . . . 15975 1 36 . 1 1 40 40 ASP N N 15 1.3087 0.0588 . . . . . 15975 1 37 . 1 1 41 41 VAL N N 15 1.185 0.0349 . . . . . 15975 1 38 . 1 1 42 42 LEU N N 15 1.1629 0.0537 . . . . . 15975 1 39 . 1 1 43 43 ALA N N 15 1.3353 0.0612 . . . . . 15975 1 40 . 1 1 44 44 GLY N N 15 1.3438 0.0395 . . . . . 15975 1 41 . 1 1 45 45 LEU N N 15 1.1837 0.0489 . . . . . 15975 1 42 . 1 1 46 46 THR N N 15 1.1502 0.0431 . . . . . 15975 1 43 . 1 1 47 47 ALA N N 15 1.2835 0.0534 . . . . . 15975 1 44 . 1 1 48 48 ARG N N 15 1.2919 0.0718 . . . . . 15975 1 45 . 1 1 49 49 GLU N N 15 1.3422 0.057 . . . . . 15975 1 46 . 1 1 50 50 ALA N N 15 1.3804 0.0924 . . . . . 15975 1 47 . 1 1 51 51 LYS N N 15 1.3688 0.06 . . . . . 15975 1 48 . 1 1 52 52 VAL N N 15 1.5671 0.0808 . . . . . 15975 1 49 . 1 1 53 53 LEU N N 15 1.3242 0.0919 . . . . . 15975 1 50 . 1 1 54 54 ARG N N 15 1.2779 0.0406 . . . . . 15975 1 51 . 1 1 55 55 MET N N 15 1.2461 0.0854 . . . . . 15975 1 52 . 1 1 56 56 ARG N N 15 1.2816 0.0611 . . . . . 15975 1 53 . 1 1 57 57 PHE N N 15 1.1805 0.0758 . . . . . 15975 1 54 . 1 1 58 58 GLY N N 15 1.3205 0.099 . . . . . 15975 1 55 . 1 1 59 59 ILE N N 15 1.4606 0.0666 . . . . . 15975 1 56 . 1 1 60 60 ASP N N 15 1.549 0.0352 . . . . . 15975 1 57 . 1 1 61 61 MET N N 15 1.4959 0.0403 . . . . . 15975 1 58 . 1 1 62 62 ASN N N 15 1.68 0.0263 . . . . . 15975 1 59 . 1 1 63 63 THR N N 15 1.8045 0.0296 . . . . . 15975 1 60 . 1 1 64 64 ASP N N 15 2.0153 0.0687 . . . . . 15975 1 61 . 1 1 65 65 TYR N N 15 1.8367 0.0652 . . . . . 15975 1 62 . 1 1 66 66 THR N N 15 0.9317 0.0079 . . . . . 15975 1 63 . 1 1 67 67 LEU N N 15 1.9577 0.1225 . . . . . 15975 1 64 . 1 1 68 68 GLU N N 15 1.6597 0.0257 . . . . . 15975 1 65 . 1 1 69 69 GLU N N 15 1.419 0.0164 . . . . . 15975 1 66 . 1 1 70 70 VAL N N 15 1.4224 0.0236 . . . . . 15975 1 67 . 1 1 71 71 GLY N N 15 1.2246 0.0218 . . . . . 15975 1 68 . 1 1 72 72 LYS N N 15 1.4106 0.0852 . . . . . 15975 1 69 . 1 1 73 73 GLN N N 15 1.3629 0.0471 . . . . . 15975 1 70 . 1 1 75 75 ASP N N 15 1.34 0.0393 . . . . . 15975 1 71 . 1 1 76 76 VAL N N 15 1.2684 0.0604 . . . . . 15975 1 72 . 1 1 77 77 THR N N 15 1.2108 0.0337 . . . . . 15975 1 73 . 1 1 78 78 ARG N N 15 1.2188 0.0644 . . . . . 15975 1 74 . 1 1 79 79 GLU N N 15 1.2748 0.0211 . . . . . 15975 1 75 . 1 1 80 80 ARG N N 15 1.1714 0.0335 . . . . . 15975 1 76 . 1 1 81 81 ILE N N 15 1.2533 0.033 . . . . . 15975 1 77 . 1 1 82 82 ARG N N 15 1.3865 0.0448 . . . . . 15975 1 78 . 1 1 83 83 GLN N N 15 1.3504 0.0446 . . . . . 15975 1 79 . 1 1 84 84 ILE N N 15 1.5251 0.0508 . . . . . 15975 1 80 . 1 1 85 85 GLU N N 15 1.3554 0.0518 . . . . . 15975 1 81 . 1 1 86 86 ALA N N 15 1.1576 0.0364 . . . . . 15975 1 82 . 1 1 87 87 LYS N N 15 1.2438 0.0232 . . . . . 15975 1 83 . 1 1 88 88 ALA N N 15 1.2204 0.0328 . . . . . 15975 1 84 . 1 1 89 89 LEU N N 15 1.2579 0.0207 . . . . . 15975 1 85 . 1 1 90 90 ARG N N 15 1.3247 0.0368 . . . . . 15975 1 86 . 1 1 91 91 LYS N N 15 1.3074 0.035 . . . . . 15975 1 87 . 1 1 92 92 LEU N N 15 1.3973 0.0459 . . . . . 15975 1 88 . 1 1 93 93 ARG N N 15 1.2942 0.0274 . . . . . 15975 1 89 . 1 1 94 94 HIS N N 15 1.3222 0.0285 . . . . . 15975 1 90 . 1 1 96 96 SER N N 15 1.2556 0.0259 . . . . . 15975 1 91 . 1 1 97 97 ARG N N 15 1.4166 0.0235 . . . . . 15975 1 92 . 1 1 98 98 SER N N 15 1.2064 0.0207 . . . . . 15975 1 93 . 1 1 99 99 GLU N N 15 1.1947 0.0348 . . . . . 15975 1 94 . 1 1 100 100 VAL N N 15 1.1299 0.0247 . . . . . 15975 1 95 . 1 1 101 101 LEU N N 15 1.393 0.0706 . . . . . 15975 1 96 . 1 1 102 102 ARG N N 15 1.2027 0.0372 . . . . . 15975 1 97 . 1 1 103 103 SER N N 15 1.2447 0.0513 . . . . . 15975 1 98 . 1 1 104 104 PHE N N 15 1.3087 0.0588 . . . . . 15975 1 99 . 1 1 105 105 LEU N N 15 1.185 0.0349 . . . . . 15975 1 100 . 1 1 106 106 ASP N N 15 1.1629 0.0537 . . . . . 15975 1 101 . 1 1 107 107 ASP N N 15 1.3353 0.0612 . . . . . 15975 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 15975 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 800 _Heteronucl_T2_list.T2_coherence_type Nz _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details '0.01, 0.03, 0.05, 0.09, 0.13, 0.17, 0.21, 0.25' _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 13 '{1H-} -15N T2' . . . 15975 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 SER N N 15 0.6453 0.0224 . . . . . . . 15975 1 2 . 1 1 4 4 SER N N 15 0.7445 0.0669 . . . . . . . 15975 1 3 . 1 1 5 5 HIS N N 15 0.5235 0.0125 . . . . . . . 15975 1 4 . 1 1 6 6 HIS N N 15 0.5124 0.0177 . . . . . . . 15975 1 5 . 1 1 7 7 HIS N N 15 0.4319 0.0228 . . . . . . . 15975 1 6 . 1 1 8 8 HIS N N 15 0.3972 0.016 . . . . . . . 15975 1 7 . 1 1 9 9 HIS N N 15 0.3451 0.00782 . . . . . . . 15975 1 8 . 1 1 10 10 HIS N N 15 0.3628 0.0157 . . . . . . . 15975 1 9 . 1 1 11 11 SER N N 15 0.2768 0.0122 . . . . . . . 15975 1 10 . 1 1 12 12 SER N N 15 0.4488 0.0106 . . . . . . . 15975 1 11 . 1 1 13 13 GLY N N 15 0.3825 0.015 . . . . . . . 15975 1 12 . 1 1 14 14 LEU N N 15 0.2879 0.0114 . . . . . . . 15975 1 13 . 1 1 15 15 VAL N N 15 0.2554 0.0155 . . . . . . . 15975 1 14 . 1 1 17 17 ARG N N 15 0.2966 0.0185 . . . . . . . 15975 1 15 . 1 1 18 18 GLY N N 15 0.2643 0.0172 . . . . . . . 15975 1 16 . 1 1 19 19 SER N N 15 0.2292 0.0131 . . . . . . . 15975 1 17 . 1 1 20 20 HIS N N 15 0.2719 0.0113 . . . . . . . 15975 1 18 . 1 1 21 21 MET N N 15 0.216 0.00564 . . . . . . . 15975 1 19 . 1 1 22 22 LEU N N 15 0.2084 0.00868 . . . . . . . 15975 1 20 . 1 1 23 23 GLU N N 15 0.4353 0.0165 . . . . . . . 15975 1 21 . 1 1 24 24 LEU N N 15 0.1671 0.0133 . . . . . . . 15975 1 22 . 1 1 26 26 LEU N N 15 0.1132 0.00856 . . . . . . . 15975 1 23 . 1 1 27 27 ASP N N 15 0.1069 0.00992 . . . . . . . 15975 1 24 . 1 1 28 28 SER N N 15 0.112 0.00864 . . . . . . . 15975 1 25 . 1 1 29 29 ALA N N 15 0.06869 0.00392 . . . . . . . 15975 1 26 . 1 1 30 30 THR N N 15 0.05712 0.00587 . . . . . . . 15975 1 27 . 1 1 31 31 THR N N 15 0.06045 0.00349 . . . . . . . 15975 1 28 . 1 1 32 32 GLU N N 15 0.04628 0.00282 . . . . . . . 15975 1 29 . 1 1 33 33 SER N N 15 0.1285 0.00928 . . . . . . . 15975 1 30 . 1 1 34 34 LEU N N 15 0.1212 0.012 . . . . . . . 15975 1 31 . 1 1 35 35 ARG N N 15 0.04055 0.00322 . . . . . . . 15975 1 32 . 1 1 36 36 ALA N N 15 0.04884 0.00957 . . . . . . . 15975 1 33 . 1 1 37 37 ALA N N 15 0.03872 0.00207 . . . . . . . 15975 1 34 . 1 1 38 38 THR N N 15 0.03755 0.00361 . . . . . . . 15975 1 35 . 1 1 39 39 HIS N N 15 0.04756 0.00593 . . . . . . . 15975 1 36 . 1 1 40 40 ASP N N 15 0.07742 0.0064 . . . . . . . 15975 1 37 . 1 1 41 41 VAL N N 15 0.2087 0.00467 . . . . . . . 15975 1 38 . 1 1 42 42 LEU N N 15 0.07539 0.0114 . . . . . . . 15975 1 39 . 1 1 43 43 ALA N N 15 0.053 0.00308 . . . . . . . 15975 1 40 . 1 1 44 44 GLY N N 15 0.04651 0.00462 . . . . . . . 15975 1 41 . 1 1 45 45 LEU N N 15 0.08563 0.0149 . . . . . . . 15975 1 42 . 1 1 46 46 THR N N 15 0.1004 0.00676 . . . . . . . 15975 1 43 . 1 1 47 47 ALA N N 15 0.1019 0.018 . . . . . . . 15975 1 44 . 1 1 48 48 ARG N N 15 0.04142 0.00299 . . . . . . . 15975 1 45 . 1 1 49 49 GLU N N 15 0.04862 0.004 . . . . . . . 15975 1 46 . 1 1 50 50 ALA N N 15 0.214 0.0248 . . . . . . . 15975 1 47 . 1 1 51 51 LYS N N 15 0.04315 0.00601 . . . . . . . 15975 1 48 . 1 1 52 52 VAL N N 15 0.04987 0.00483 . . . . . . . 15975 1 49 . 1 1 53 53 LEU N N 15 0.07168 0.00894 . . . . . . . 15975 1 50 . 1 1 54 54 ARG N N 15 0.09481 0.00482 . . . . . . . 15975 1 51 . 1 1 55 55 MET N N 15 0.0399 0.00356 . . . . . . . 15975 1 52 . 1 1 56 56 ARG N N 15 0.2849 0.065 . . . . . . . 15975 1 53 . 1 1 57 57 PHE N N 15 0.1607 0.0197 . . . . . . . 15975 1 54 . 1 1 58 58 GLY N N 15 0.0474 0.00499 . . . . . . . 15975 1 55 . 1 1 59 59 ILE N N 15 0.09343 0.00371 . . . . . . . 15975 1 56 . 1 1 60 60 ASP N N 15 0.04163 0.00205 . . . . . . . 15975 1 57 . 1 1 61 61 MET N N 15 0.05079 0.00567 . . . . . . . 15975 1 58 . 1 1 62 62 ASN N N 15 0.05543 0.00733 . . . . . . . 15975 1 59 . 1 1 63 63 THR N N 15 0.04776 0.00551 . . . . . . . 15975 1 60 . 1 1 64 64 ASP N N 15 0.03799 0.00163 . . . . . . . 15975 1 61 . 1 1 65 65 TYR N N 15 0.4599 0.0703 . . . . . . . 15975 1 62 . 1 1 66 66 THR N N 15 0.2147 0.0576 . . . . . . . 15975 1 63 . 1 1 67 67 LEU N N 15 0.1392 0.0235 . . . . . . . 15975 1 64 . 1 1 68 68 GLU N N 15 0.07157 0.00625 . . . . . . . 15975 1 65 . 1 1 69 69 GLU N N 15 0.05984 0.00464 . . . . . . . 15975 1 66 . 1 1 70 70 VAL N N 15 0.1121 0.0094 . . . . . . . 15975 1 67 . 1 1 71 71 GLY N N 15 0.02931 0.00531 . . . . . . . 15975 1 68 . 1 1 72 72 LYS N N 15 0.08859 0.00191 . . . . . . . 15975 1 69 . 1 1 73 73 GLN N N 15 0.04542 0.00417 . . . . . . . 15975 1 70 . 1 1 75 75 ASP N N 15 0.03524 0.00213 . . . . . . . 15975 1 71 . 1 1 76 76 VAL N N 15 0.07322 0.0107 . . . . . . . 15975 1 72 . 1 1 77 77 THR N N 15 0.04567 0.00592 . . . . . . . 15975 1 73 . 1 1 78 78 ARG N N 15 0.04781 0.00606 . . . . . . . 15975 1 74 . 1 1 79 79 GLU N N 15 0.04608 0.00563 . . . . . . . 15975 1 75 . 1 1 80 80 ARG N N 15 0.3826 0.00867 . . . . . . . 15975 1 76 . 1 1 81 81 ILE N N 15 0.1367 0.00917 . . . . . . . 15975 1 77 . 1 1 82 82 ARG N N 15 0.1617 0.0191 . . . . . . . 15975 1 78 . 1 1 83 83 GLN N N 15 0.04201 0.00263 . . . . . . . 15975 1 79 . 1 1 84 84 ILE N N 15 0.2021 0.043 . . . . . . . 15975 1 80 . 1 1 85 85 GLU N N 15 0.04264 0.00678 . . . . . . . 15975 1 81 . 1 1 86 86 ALA N N 15 0.05797 0.0137 . . . . . . . 15975 1 82 . 1 1 87 87 LYS N N 15 0.03464 0.00363 . . . . . . . 15975 1 83 . 1 1 88 88 ALA N N 15 0.469 0.033 . . . . . . . 15975 1 84 . 1 1 89 89 LEU N N 15 0.1372 0.0177 . . . . . . . 15975 1 85 . 1 1 90 90 ARG N N 15 0.2247 0.00371 . . . . . . . 15975 1 86 . 1 1 91 91 LYS N N 15 0.05192 0.00367 . . . . . . . 15975 1 87 . 1 1 92 92 LEU N N 15 0.05559 0.00366 . . . . . . . 15975 1 88 . 1 1 93 93 ARG N N 15 0.08075 0.00469 . . . . . . . 15975 1 89 . 1 1 94 94 HIS N N 15 0.1276 0.00396 . . . . . . . 15975 1 90 . 1 1 96 96 SER N N 15 0.06799 0.00295 . . . . . . . 15975 1 91 . 1 1 97 97 ARG N N 15 0.1264 0.00255 . . . . . . . 15975 1 92 . 1 1 98 98 SER N N 15 0.113 0.00584 . . . . . . . 15975 1 93 . 1 1 99 99 GLU N N 15 0.0938 0.00747 . . . . . . . 15975 1 94 . 1 1 100 100 VAL N N 15 0.1368 0.00575 . . . . . . . 15975 1 95 . 1 1 101 101 LEU N N 15 0.03717 0.00378 . . . . . . . 15975 1 96 . 1 1 102 102 ARG N N 15 0.1106 0.0134 . . . . . . . 15975 1 97 . 1 1 103 103 SER N N 15 0.1254 0.00367 . . . . . . . 15975 1 98 . 1 1 104 104 PHE N N 15 0.1917 0.00566 . . . . . . . 15975 1 99 . 1 1 105 105 LEU N N 15 0.09867 0.00614 . . . . . . . 15975 1 100 . 1 1 106 106 ASP N N 15 0.1581 0.00484 . . . . . . . 15975 1 101 . 1 1 107 107 ASP N N 15 0.1684 0.00555 . . . . . . . 15975 1 stop_ save_