data_6494 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6494 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Chorismate Mutase ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2005-02-08 _Entry.Accession_date 2005-02-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Alexander Eletsky . . . 6494 2 Alexander Kienhofer . . . 6494 3 Donald Hilvert . . . 6494 4 Konstantin Pervushin . . . 6494 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6494 heteronucl_NOEs 1 6494 heteronucl_T1_relaxation 2 6494 heteronucl_T2_relaxation 2 6494 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 245 6494 '13C chemical shifts' 354 6494 '15N chemical shifts' 118 6494 'T1 relaxation values' 234 6494 'T2 relaxation values' 231 6494 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-11 . update BMRB 'residue 112 name corrected in relaxation save frames' 6494 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6495 'BsCM protein with TSA' 6494 BMRB 6496 'BsCM protein with prephenate' 6494 stop_ save_ ############### # Citations # ############### save_main_citation _Citation.Sf_category citations _Citation.Sf_framecode main_citation _Citation.Entry_ID 6494 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15865424 _Citation.Full_citation . _Citation.Title ; Investigation of Ligand Binding and Protein Dynamics in Bacillus subtilis Chorismate Mutase by Transverse Relaxation Optimized Spectroscopy-Nuclear Magnetic Resonance ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 44 _Citation.Journal_issue 18 _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 6788 _Citation.Page_last 6799 _Citation.Year 2005 _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 Alexander Eletsky . . . 6494 1 2 Alexander Kienhofer . . . 6494 1 3 Donald Hilvert . . . 6494 1 4 Konstantin Pervushin . . . 6494 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6494 _Assembly.ID 1 _Assembly.Name 'BsCM trimer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6494 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'BsCM polypeptide_A' 1 $BsCM_polypeptide . . . native . . . . . 6494 1 2 'BsCM polypeptide_B' 1 $BsCM_polypeptide . . . native . . . . . 6494 1 3 'BsCM polypeptide_C' 1 $BsCM_polypeptide . . . native . . . . . 6494 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'BsCM trimer' system 6494 1 'BsCM trimer' abbreviation 6494 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BsCM_polypeptide _Entity.Sf_category entity _Entity.Sf_framecode BsCM_polypeptide _Entity.Entry_ID 6494 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BsCM _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 ; MMIRGIRGATTVERDTEEEI LQKTKQLLEKIIEENHTKPE DVVQMLLSATPDLHAVFPAK AVRELSGWQYVPVTCMQEMD VTGGLKKCIRVMMTVQTDVP QDQIRHVYLEKAVVLRPDLS LTKNTEL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 127 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date 2010-09-18 _Entity.DB_query_revised_last_date 2010-07-24 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 . . REF ZP_03600723 . 'chorismate mutase (isozymes 1 and 2) [Bacillus subtilis subsp. subtilis str. JH642]' . . . . . 100.00 127 99.21 99.21 3.30e-67 . . . . 6494 1 . . SP P19080 . 'RecName: Full=Chorismate mutase; Short=CM' . . . . . 100.00 127 99.21 99.21 3.30e-67 . . . . 6494 1 . . REF ZP_03592031 . 'chorismate mutase (isozymes 1 and 2) [Bacillus subtilis subsp. subtilis str. 168]' . . . . . 100.00 127 99.21 99.21 3.30e-67 . . . . 6494 1 . . REF ZP_03596312 . 'chorismate mutase (isozymes 1 and 2) [Bacillus subtilis subsp. subtilis str. NCIB 3610]' . . . . . 100.00 127 100.00 100.00 1.02e-67 . . . . 6494 1 . . GB ABN13175 . 'chorismate mutase [Bacillus subtilis subsp. subtilis str. 168]' . . . . . 99.21 126 99.21 99.21 1.59e-66 . . . . 6494 1 . . REF NP_390150 . 'chorismate mutase [Bacillus subtilis subsp. subtilis str. 168]' . . . . . 100.00 127 99.21 99.21 3.30e-67 . . . . 6494 1 . . GB ABN05305 . 'chorismate mutase [Bacillus subtilis]' . . . . . 100.00 127 99.21 99.21 3.30e-67 . . . . 6494 1 . . GB ABN05308 . 'chorismate mutase [Bacillus subtilis]' . . . . . 100.00 127 99.21 99.21 3.30e-67 . . . . 6494 1 . . GB AAA20861 . 'AroH [Bacillus subtilis]' . . . . . 100.00 127 99.21 99.21 3.30e-67 . . . . 6494 1 . . GB AAA22249 . 'chorismate mutase (aroH) [Bacillus subtilis]' . . . . . 100.00 127 100.00 100.00 1.02e-67 . . . . 6494 1 . . DBJ BAI85767 . 'chorismate mutase [Bacillus subtilis subsp. natto BEST195]' . . . . . 100.00 127 100.00 100.00 1.02e-67 . . . . 6494 1 . . EMBL CAB14185 . 'chorismate mutase [Bacillus subtilis subsp. subtilis str. 168]' . . . . . 100.00 127 99.21 99.21 3.30e-67 . . . . 6494 1 . . PDB 2CHS . 'Crystal Structures Of The Monofunctional Chorismate Mutase From Bacillus Subtilis And Its Complex With A Transition State Analog' . . . . . 100.00 127 100.00 100.00 1.02e-67 . . . . 6494 1 . . PDB 2CHT . 'Crystal Structures Of The Monofunctional Chorismate Mutase From Bacillus Subtilis And Its Complex With A Transition State Analog' . . . . . 100.00 127 100.00 100.00 1.02e-67 . . . . 6494 1 . . PDB 1COM . 'The Monofunctional Chorismate Mutase From Bacillus Subtilis: Structure Determination Of Chorismate Mutase And Its Complexes With A Transition State Analog And Prephenate, And Implications On The Mechanism Of Enzymatic Reaction' . . . . . 100.00 127 100.00 100.00 1.02e-67 . . . . 6494 1 . . PDB 1DBF . 'Chorismate Mutase From Bacillus Subtilis At 1.30 Angstrom' . . . . . 100.00 127 100.00 100.00 1.02e-67 . . . . 6494 1 . . BMRB 6495 . BsCM . . . . . 100.00 127 100.00 100.00 1.02e-67 . . . . 6494 1 . . BMRB 6496 . BsCM . . . . . 100.00 127 100.00 100.00 1.02e-67 . . . . 6494 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID BsCM common 6494 1 BsCM abbreviation 6494 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 . 6494 1 2 . MET . 6494 1 3 . ILE . 6494 1 4 . ARG . 6494 1 5 . GLY . 6494 1 6 . ILE . 6494 1 7 . ARG . 6494 1 8 . GLY . 6494 1 9 . ALA . 6494 1 10 . THR . 6494 1 11 . THR . 6494 1 12 . VAL . 6494 1 13 . GLU . 6494 1 14 . ARG . 6494 1 15 . ASP . 6494 1 16 . THR . 6494 1 17 . GLU . 6494 1 18 . GLU . 6494 1 19 . GLU . 6494 1 20 . ILE . 6494 1 21 . LEU . 6494 1 22 . GLN . 6494 1 23 . LYS . 6494 1 24 . THR . 6494 1 25 . LYS . 6494 1 26 . GLN . 6494 1 27 . LEU . 6494 1 28 . LEU . 6494 1 29 . GLU . 6494 1 30 . LYS . 6494 1 31 . ILE . 6494 1 32 . ILE . 6494 1 33 . GLU . 6494 1 34 . GLU . 6494 1 35 . ASN . 6494 1 36 . HIS . 6494 1 37 . THR . 6494 1 38 . LYS . 6494 1 39 . PRO . 6494 1 40 . GLU . 6494 1 41 . ASP . 6494 1 42 . VAL . 6494 1 43 . VAL . 6494 1 44 . GLN . 6494 1 45 . MET . 6494 1 46 . LEU . 6494 1 47 . LEU . 6494 1 48 . SER . 6494 1 49 . ALA . 6494 1 50 . THR . 6494 1 51 . PRO . 6494 1 52 . ASP . 6494 1 53 . LEU . 6494 1 54 . HIS . 6494 1 55 . ALA . 6494 1 56 . VAL . 6494 1 57 . PHE . 6494 1 58 . PRO . 6494 1 59 . ALA . 6494 1 60 . LYS . 6494 1 61 . ALA . 6494 1 62 . VAL . 6494 1 63 . ARG . 6494 1 64 . GLU . 6494 1 65 . LEU . 6494 1 66 . SER . 6494 1 67 . GLY . 6494 1 68 . TRP . 6494 1 69 . GLN . 6494 1 70 . TYR . 6494 1 71 . VAL . 6494 1 72 . PRO . 6494 1 73 . VAL . 6494 1 74 . THR . 6494 1 75 . CYS . 6494 1 76 . MET . 6494 1 77 . GLN . 6494 1 78 . GLU . 6494 1 79 . MET . 6494 1 80 . ASP . 6494 1 81 . VAL . 6494 1 82 . THR . 6494 1 83 . GLY . 6494 1 84 . GLY . 6494 1 85 . LEU . 6494 1 86 . LYS . 6494 1 87 . LYS . 6494 1 88 . CYS . 6494 1 89 . ILE . 6494 1 90 . ARG . 6494 1 91 . VAL . 6494 1 92 . MET . 6494 1 93 . MET . 6494 1 94 . THR . 6494 1 95 . VAL . 6494 1 96 . GLN . 6494 1 97 . THR . 6494 1 98 . ASP . 6494 1 99 . VAL . 6494 1 100 . PRO . 6494 1 101 . GLN . 6494 1 102 . ASP . 6494 1 103 . GLN . 6494 1 104 . ILE . 6494 1 105 . ARG . 6494 1 106 . HIS . 6494 1 107 . VAL . 6494 1 108 . TYR . 6494 1 109 . LEU . 6494 1 110 . GLU . 6494 1 111 . LYS . 6494 1 112 . ALA . 6494 1 113 . VAL . 6494 1 114 . VAL . 6494 1 115 . LEU . 6494 1 116 . ARG . 6494 1 117 . PRO . 6494 1 118 . ASP . 6494 1 119 . LEU . 6494 1 120 . SER . 6494 1 121 . LEU . 6494 1 122 . THR . 6494 1 123 . LYS . 6494 1 124 . ASN . 6494 1 125 . THR . 6494 1 126 . GLU . 6494 1 127 . LEU . 6494 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 6494 1 . MET 2 2 6494 1 . ILE 3 3 6494 1 . ARG 4 4 6494 1 . GLY 5 5 6494 1 . ILE 6 6 6494 1 . ARG 7 7 6494 1 . GLY 8 8 6494 1 . ALA 9 9 6494 1 . THR 10 10 6494 1 . THR 11 11 6494 1 . VAL 12 12 6494 1 . GLU 13 13 6494 1 . ARG 14 14 6494 1 . ASP 15 15 6494 1 . THR 16 16 6494 1 . GLU 17 17 6494 1 . GLU 18 18 6494 1 . GLU 19 19 6494 1 . ILE 20 20 6494 1 . LEU 21 21 6494 1 . GLN 22 22 6494 1 . LYS 23 23 6494 1 . THR 24 24 6494 1 . LYS 25 25 6494 1 . GLN 26 26 6494 1 . LEU 27 27 6494 1 . LEU 28 28 6494 1 . GLU 29 29 6494 1 . LYS 30 30 6494 1 . ILE 31 31 6494 1 . ILE 32 32 6494 1 . GLU 33 33 6494 1 . GLU 34 34 6494 1 . ASN 35 35 6494 1 . HIS 36 36 6494 1 . THR 37 37 6494 1 . LYS 38 38 6494 1 . PRO 39 39 6494 1 . GLU 40 40 6494 1 . ASP 41 41 6494 1 . VAL 42 42 6494 1 . VAL 43 43 6494 1 . GLN 44 44 6494 1 . MET 45 45 6494 1 . LEU 46 46 6494 1 . LEU 47 47 6494 1 . SER 48 48 6494 1 . ALA 49 49 6494 1 . THR 50 50 6494 1 . PRO 51 51 6494 1 . ASP 52 52 6494 1 . LEU 53 53 6494 1 . HIS 54 54 6494 1 . ALA 55 55 6494 1 . VAL 56 56 6494 1 . PHE 57 57 6494 1 . PRO 58 58 6494 1 . ALA 59 59 6494 1 . LYS 60 60 6494 1 . ALA 61 61 6494 1 . VAL 62 62 6494 1 . ARG 63 63 6494 1 . GLU 64 64 6494 1 . LEU 65 65 6494 1 . SER 66 66 6494 1 . GLY 67 67 6494 1 . TRP 68 68 6494 1 . GLN 69 69 6494 1 . TYR 70 70 6494 1 . VAL 71 71 6494 1 . PRO 72 72 6494 1 . VAL 73 73 6494 1 . THR 74 74 6494 1 . CYS 75 75 6494 1 . MET 76 76 6494 1 . GLN 77 77 6494 1 . GLU 78 78 6494 1 . MET 79 79 6494 1 . ASP 80 80 6494 1 . VAL 81 81 6494 1 . THR 82 82 6494 1 . GLY 83 83 6494 1 . GLY 84 84 6494 1 . LEU 85 85 6494 1 . LYS 86 86 6494 1 . LYS 87 87 6494 1 . CYS 88 88 6494 1 . ILE 89 89 6494 1 . ARG 90 90 6494 1 . VAL 91 91 6494 1 . MET 92 92 6494 1 . MET 93 93 6494 1 . THR 94 94 6494 1 . VAL 95 95 6494 1 . GLN 96 96 6494 1 . THR 97 97 6494 1 . ASP 98 98 6494 1 . VAL 99 99 6494 1 . PRO 100 100 6494 1 . GLN 101 101 6494 1 . ASP 102 102 6494 1 . GLN 103 103 6494 1 . ILE 104 104 6494 1 . ARG 105 105 6494 1 . HIS 106 106 6494 1 . VAL 107 107 6494 1 . TYR 108 108 6494 1 . LEU 109 109 6494 1 . GLU 110 110 6494 1 . LYS 111 111 6494 1 . ALA 112 112 6494 1 . VAL 113 113 6494 1 . VAL 114 114 6494 1 . LEU 115 115 6494 1 . ARG 116 116 6494 1 . PRO 117 117 6494 1 . ASP 118 118 6494 1 . LEU 119 119 6494 1 . SER 120 120 6494 1 . LEU 121 121 6494 1 . THR 122 122 6494 1 . LYS 123 123 6494 1 . ASN 124 124 6494 1 . THR 125 125 6494 1 . GLU 126 126 6494 1 . LEU 127 127 6494 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 6494 _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 $BsCM_polypeptide . 1423 . . 'Bacillus subtilis' 'Bacillus subtilis' . . Eubacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 6494 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 6494 _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 $BsCM_polypeptide . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6494 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6494 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BsCM '[U-13C; U-15N; U-2H]' . . 1 $BsCM_polypeptide . . . . . mM . . . . 6494 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6494 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BsCM '[U-13C; U-15N; U-35% 2H]' . . 1 $BsCM_polypeptide . . . . . mM . . . . 6494 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6494 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 BsCM [U-15N] . . 1 $BsCM_polypeptide . . . . . mM . . . . 6494 3 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6494 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 0.1 pH 6494 1 temperature 293 0.1 K 6494 1 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 6494 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer . _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength . save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6494 _NMR_spectrometer_list.ID 1 save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 6494 _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 TROSY-CT-HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6494 1 2 TROSY-HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6494 1 3 TROSY-HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6494 1 4 TROSY-CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6494 1 5 NOESY-TROSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6494 1 6 TOCSY-TROSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6494 1 7 MQ-HACACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6494 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6494 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name TROSY-CT-HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6494 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name TROSY-HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6494 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name TROSY-HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6494 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name TROSY-CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6494 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name NOESY-TROSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6494 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name TOCSY-TROSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6494 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name MQ-HACACO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6494 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 6494 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6494 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6494 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_Backbone_chemical_shift_of_unliganded_BsCM _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Backbone_chemical_shift_of_unliganded_BsCM _Assigned_chem_shift_list.Entry_ID 6494 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 TROSY-CT-HNCA . . . 6494 1 2 TROSY-HNCACB . . . 6494 1 3 TROSY-HNCA . . . 6494 1 4 TROSY-CBCACONH . . . 6494 1 5 NOESY-TROSY . . . 6494 1 6 TOCSY-TROSY . . . 6494 1 7 MQ-HACACO . . . 6494 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 54.900 0.200 . 1 . . . . . . . . 6494 1 2 . 1 1 1 1 MET CB C 13 33.400 0.200 . 1 . . . . . . . . 6494 1 3 . 1 1 1 1 MET C C 13 173.000 0.200 . 1 . . . . . . . . 6494 1 4 . 1 1 2 2 MET H H 1 8.340 0.010 . 1 . . . . . . . . 6494 1 5 . 1 1 2 2 MET N N 15 125.400 0.050 . 1 . . . . . . . . 6494 1 6 . 1 1 2 2 MET CA C 13 54.100 0.200 . 1 . . . . . . . . 6494 1 7 . 1 1 2 2 MET CB C 13 33.500 0.200 . 1 . . . . . . . . 6494 1 8 . 1 1 2 2 MET C C 13 172.600 0.200 . 1 . . . . . . . . 6494 1 9 . 1 1 2 2 MET HA H 1 4.440 0.010 . 1 . . . . . . . . 6494 1 10 . 1 1 3 3 ILE H H 1 7.890 0.010 . 1 . . . . . . . . 6494 1 11 . 1 1 3 3 ILE N N 15 119.000 0.050 . 1 . . . . . . . . 6494 1 12 . 1 1 3 3 ILE CA C 13 57.000 0.200 . 1 . . . . . . . . 6494 1 13 . 1 1 3 3 ILE CB C 13 37.300 0.200 . 1 . . . . . . . . 6494 1 14 . 1 1 3 3 ILE C C 13 174.500 0.200 . 1 . . . . . . . . 6494 1 15 . 1 1 3 3 ILE HA H 1 5.300 0.010 . 1 . . . . . . . . 6494 1 16 . 1 1 4 4 ARG H H 1 9.310 0.010 . 1 . . . . . . . . 6494 1 17 . 1 1 4 4 ARG N N 15 119.400 0.050 . 1 . . . . . . . . 6494 1 18 . 1 1 4 4 ARG CA C 13 54.600 0.200 . 1 . . . . . . . . 6494 1 19 . 1 1 4 4 ARG C C 13 175.700 0.200 . 1 . . . . . . . . 6494 1 20 . 1 1 4 4 ARG HA H 1 4.880 0.010 . 1 . . . . . . . . 6494 1 21 . 1 1 5 5 GLY H H 1 7.920 0.010 . 1 . . . . . . . . 6494 1 22 . 1 1 5 5 GLY N N 15 107.800 0.050 . 1 . . . . . . . . 6494 1 23 . 1 1 5 5 GLY CA C 13 44.300 0.200 . 1 . . . . . . . . 6494 1 24 . 1 1 5 5 GLY C C 13 172.800 0.200 . 1 . . . . . . . . 6494 1 25 . 1 1 5 5 GLY HA2 H 1 3.490 0.010 . 2 . . . . . . . . 6494 1 26 . 1 1 6 6 ILE H H 1 9.260 0.010 . 1 . . . . . . . . 6494 1 27 . 1 1 6 6 ILE N N 15 123.800 0.050 . 1 . . . . . . . . 6494 1 28 . 1 1 6 6 ILE CA C 13 61.700 0.200 . 1 . . . . . . . . 6494 1 29 . 1 1 6 6 ILE CB C 13 39.300 0.200 . 1 . . . . . . . . 6494 1 30 . 1 1 6 6 ILE C C 13 175.200 0.200 . 1 . . . . . . . . 6494 1 31 . 1 1 6 6 ILE HA H 1 4.390 0.010 . 1 . . . . . . . . 6494 1 32 . 1 1 7 7 ARG H H 1 11.910 0.010 . 1 . . . . . . . . 6494 1 33 . 1 1 7 7 ARG N N 15 130.800 0.050 . 1 . . . . . . . . 6494 1 34 . 1 1 7 7 ARG CA C 13 53.300 0.200 . 1 . . . . . . . . 6494 1 35 . 1 1 7 7 ARG C C 13 175.900 0.200 . 1 . . . . . . . . 6494 1 36 . 1 1 7 7 ARG HA H 1 5.390 0.010 . 1 . . . . . . . . 6494 1 37 . 1 1 8 8 GLY H H 1 7.720 0.010 . 1 . . . . . . . . 6494 1 38 . 1 1 8 8 GLY N N 15 102.900 0.050 . 1 . . . . . . . . 6494 1 39 . 1 1 8 8 GLY CA C 13 44.700 0.200 . 1 . . . . . . . . 6494 1 40 . 1 1 8 8 GLY C C 13 173.200 0.200 . 1 . . . . . . . . 6494 1 41 . 1 1 8 8 GLY HA2 H 1 3.480 0.010 . 1 . . . . . . . . 6494 1 42 . 1 1 8 8 GLY HA3 H 1 5.000 0.010 . 1 . . . . . . . . 6494 1 43 . 1 1 9 9 ALA H H 1 8.500 0.010 . 1 . . . . . . . . 6494 1 44 . 1 1 9 9 ALA N N 15 123.600 0.050 . 1 . . . . . . . . 6494 1 45 . 1 1 9 9 ALA CA C 13 51.500 0.200 . 1 . . . . . . . . 6494 1 46 . 1 1 9 9 ALA CB C 13 23.500 0.200 . 1 . . . . . . . . 6494 1 47 . 1 1 9 9 ALA C C 13 173.900 0.200 . 1 . . . . . . . . 6494 1 48 . 1 1 9 9 ALA HA H 1 5.450 0.010 . 1 . . . . . . . . 6494 1 49 . 1 1 10 10 THR H H 1 9.090 0.010 . 1 . . . . . . . . 6494 1 50 . 1 1 10 10 THR N N 15 115.600 0.050 . 1 . . . . . . . . 6494 1 51 . 1 1 10 10 THR CA C 13 58.800 0.200 . 1 . . . . . . . . 6494 1 52 . 1 1 10 10 THR CB C 13 68.000 0.200 . 1 . . . . . . . . 6494 1 53 . 1 1 10 10 THR C C 13 172.900 0.200 . 1 . . . . . . . . 6494 1 54 . 1 1 10 10 THR HA H 1 5.060 0.010 . 1 . . . . . . . . 6494 1 55 . 1 1 11 11 THR H H 1 8.120 0.010 . 1 . . . . . . . . 6494 1 56 . 1 1 11 11 THR N N 15 112.900 0.050 . 1 . . . . . . . . 6494 1 57 . 1 1 11 11 THR CA C 13 59.500 0.200 . 1 . . . . . . . . 6494 1 58 . 1 1 11 11 THR CB C 13 72.800 0.200 . 1 . . . . . . . . 6494 1 59 . 1 1 11 11 THR C C 13 173.600 0.200 . 1 . . . . . . . . 6494 1 60 . 1 1 11 11 THR HA H 1 5.710 0.010 . 1 . . . . . . . . 6494 1 61 . 1 1 12 12 VAL H H 1 8.090 0.010 . 1 . . . . . . . . 6494 1 62 . 1 1 12 12 VAL N N 15 109.200 0.050 . 1 . . . . . . . . 6494 1 63 . 1 1 12 12 VAL CA C 13 57.600 0.200 . 1 . . . . . . . . 6494 1 64 . 1 1 12 12 VAL CB C 13 33.500 0.200 . 1 . . . . . . . . 6494 1 65 . 1 1 12 12 VAL C C 13 176.100 0.200 . 1 . . . . . . . . 6494 1 66 . 1 1 12 12 VAL HA H 1 4.750 0.010 . 1 . . . . . . . . 6494 1 67 . 1 1 13 13 GLU H H 1 9.630 0.010 . 1 . . . . . . . . 6494 1 68 . 1 1 13 13 GLU N N 15 120.400 0.050 . 1 . . . . . . . . 6494 1 69 . 1 1 13 13 GLU CA C 13 56.700 0.200 . 1 . . . . . . . . 6494 1 70 . 1 1 13 13 GLU CB C 13 30.100 0.200 . 1 . . . . . . . . 6494 1 71 . 1 1 13 13 GLU C C 13 177.600 0.200 . 1 . . . . . . . . 6494 1 72 . 1 1 13 13 GLU HA H 1 4.200 0.010 . 1 . . . . . . . . 6494 1 73 . 1 1 14 14 ARG H H 1 7.690 0.010 . 1 . . . . . . . . 6494 1 74 . 1 1 14 14 ARG N N 15 116.100 0.050 . 1 . . . . . . . . 6494 1 75 . 1 1 14 14 ARG CA C 13 53.500 0.200 . 1 . . . . . . . . 6494 1 76 . 1 1 14 14 ARG CB C 13 32.700 0.200 . 1 . . . . . . . . 6494 1 77 . 1 1 14 14 ARG C C 13 173.300 0.200 . 1 . . . . . . . . 6494 1 78 . 1 1 14 14 ARG HA H 1 4.440 0.010 . 1 . . . . . . . . 6494 1 79 . 1 1 15 15 ASP H H 1 8.500 0.010 . 1 . . . . . . . . 6494 1 80 . 1 1 15 15 ASP N N 15 119.400 0.050 . 1 . . . . . . . . 6494 1 81 . 1 1 15 15 ASP CA C 13 51.900 0.200 . 1 . . . . . . . . 6494 1 82 . 1 1 15 15 ASP CB C 13 39.000 0.200 . 1 . . . . . . . . 6494 1 83 . 1 1 15 15 ASP C C 13 175.200 0.200 . 1 . . . . . . . . 6494 1 84 . 1 1 15 15 ASP HA H 1 4.700 0.010 . 1 . . . . . . . . 6494 1 85 . 1 1 16 16 THR H H 1 7.550 0.010 . 1 . . . . . . . . 6494 1 86 . 1 1 16 16 THR N N 15 113.200 0.050 . 1 . . . . . . . . 6494 1 87 . 1 1 16 16 THR CA C 13 57.800 0.200 . 1 . . . . . . . . 6494 1 88 . 1 1 16 16 THR CB C 13 71.300 0.200 . 1 . . . . . . . . 6494 1 89 . 1 1 16 16 THR C C 13 173.900 0.200 . 1 . . . . . . . . 6494 1 90 . 1 1 16 16 THR HA H 1 4.550 0.010 . 1 . . . . . . . . 6494 1 91 . 1 1 17 17 GLU H H 1 9.120 0.010 . 1 . . . . . . . . 6494 1 92 . 1 1 17 17 GLU N N 15 124.900 0.050 . 1 . . . . . . . . 6494 1 93 . 1 1 17 17 GLU CA C 13 58.800 0.200 . 1 . . . . . . . . 6494 1 94 . 1 1 17 17 GLU CB C 13 28.400 0.200 . 1 . . . . . . . . 6494 1 95 . 1 1 17 17 GLU C C 13 177.200 0.200 . 1 . . . . . . . . 6494 1 96 . 1 1 17 17 GLU HA H 1 3.620 0.010 . 1 . . . . . . . . 6494 1 97 . 1 1 18 18 GLU H H 1 8.810 0.010 . 1 . . . . . . . . 6494 1 98 . 1 1 18 18 GLU N N 15 116.400 0.050 . 1 . . . . . . . . 6494 1 99 . 1 1 18 18 GLU CA C 13 59.200 0.200 . 1 . . . . . . . . 6494 1 100 . 1 1 18 18 GLU CB C 13 28.400 0.200 . 1 . . . . . . . . 6494 1 101 . 1 1 18 18 GLU C C 13 178.900 0.200 . 1 . . . . . . . . 6494 1 102 . 1 1 18 18 GLU HA H 1 3.940 0.010 . 1 . . . . . . . . 6494 1 103 . 1 1 19 19 GLU H H 1 7.510 0.010 . 1 . . . . . . . . 6494 1 104 . 1 1 19 19 GLU N N 15 119.300 0.050 . 1 . . . . . . . . 6494 1 105 . 1 1 19 19 GLU CA C 13 59.100 0.200 . 1 . . . . . . . . 6494 1 106 . 1 1 19 19 GLU CB C 13 28.600 0.200 . 1 . . . . . . . . 6494 1 107 . 1 1 19 19 GLU C C 13 178.700 0.200 . 1 . . . . . . . . 6494 1 108 . 1 1 19 19 GLU HA H 1 4.170 0.010 . 1 . . . . . . . . 6494 1 109 . 1 1 20 20 ILE H H 1 8.150 0.010 . 1 . . . . . . . . 6494 1 110 . 1 1 20 20 ILE N N 15 118.100 0.050 . 1 . . . . . . . . 6494 1 111 . 1 1 20 20 ILE CA C 13 65.700 0.200 . 1 . . . . . . . . 6494 1 112 . 1 1 20 20 ILE CB C 13 37.100 0.200 . 1 . . . . . . . . 6494 1 113 . 1 1 20 20 ILE C C 13 179.800 0.200 . 1 . . . . . . . . 6494 1 114 . 1 1 20 20 ILE HA H 1 3.520 0.010 . 1 . . . . . . . . 6494 1 115 . 1 1 21 21 LEU H H 1 8.660 0.010 . 1 . . . . . . . . 6494 1 116 . 1 1 21 21 LEU N N 15 120.000 0.050 . 1 . . . . . . . . 6494 1 117 . 1 1 21 21 LEU CA C 13 58.100 0.200 . 1 . . . . . . . . 6494 1 118 . 1 1 21 21 LEU CB C 13 39.100 0.200 . 1 . . . . . . . . 6494 1 119 . 1 1 21 21 LEU C C 13 178.800 0.200 . 1 . . . . . . . . 6494 1 120 . 1 1 21 21 LEU HA H 1 3.930 0.010 . 1 . . . . . . . . 6494 1 121 . 1 1 22 22 GLN H H 1 8.040 0.010 . 1 . . . . . . . . 6494 1 122 . 1 1 22 22 GLN N N 15 119.400 0.050 . 1 . . . . . . . . 6494 1 123 . 1 1 22 22 GLN CA C 13 58.800 0.200 . 1 . . . . . . . . 6494 1 124 . 1 1 22 22 GLN CB C 13 27.600 0.200 . 1 . . . . . . . . 6494 1 125 . 1 1 22 22 GLN C C 13 179.300 0.200 . 1 . . . . . . . . 6494 1 126 . 1 1 22 22 GLN HA H 1 4.000 0.010 . 1 . . . . . . . . 6494 1 127 . 1 1 23 23 LYS H H 1 8.610 0.010 . 1 . . . . . . . . 6494 1 128 . 1 1 23 23 LYS N N 15 117.400 0.050 . 1 . . . . . . . . 6494 1 129 . 1 1 23 23 LYS CA C 13 57.400 0.200 . 1 . . . . . . . . 6494 1 130 . 1 1 23 23 LYS CB C 13 29.500 0.200 . 1 . . . . . . . . 6494 1 131 . 1 1 23 23 LYS C C 13 181.100 0.200 . 1 . . . . . . . . 6494 1 132 . 1 1 23 23 LYS HA H 1 4.130 0.010 . 1 . . . . . . . . 6494 1 133 . 1 1 24 24 THR H H 1 8.180 0.010 . 1 . . . . . . . . 6494 1 134 . 1 1 24 24 THR N N 15 118.900 0.050 . 1 . . . . . . . . 6494 1 135 . 1 1 24 24 THR CA C 13 68.200 0.200 . 1 . . . . . . . . 6494 1 136 . 1 1 24 24 THR CB C 13 66.900 0.200 . 1 . . . . . . . . 6494 1 137 . 1 1 24 24 THR C C 13 175.500 0.200 . 1 . . . . . . . . 6494 1 138 . 1 1 24 24 THR HA H 1 3.540 0.010 . 1 . . . . . . . . 6494 1 139 . 1 1 25 25 LYS H H 1 8.290 0.010 . 1 . . . . . . . . 6494 1 140 . 1 1 25 25 LYS N N 15 122.800 0.050 . 1 . . . . . . . . 6494 1 141 . 1 1 25 25 LYS CA C 13 60.600 0.200 . 1 . . . . . . . . 6494 1 142 . 1 1 25 25 LYS CB C 13 31.500 0.200 . 1 . . . . . . . . 6494 1 143 . 1 1 25 25 LYS C C 13 177.400 0.200 . 1 . . . . . . . . 6494 1 144 . 1 1 25 25 LYS HA H 1 3.470 0.010 . 1 . . . . . . . . 6494 1 145 . 1 1 26 26 GLN H H 1 7.960 0.010 . 1 . . . . . . . . 6494 1 146 . 1 1 26 26 GLN N N 15 116.100 0.050 . 1 . . . . . . . . 6494 1 147 . 1 1 26 26 GLN CA C 13 58.300 0.200 . 1 . . . . . . . . 6494 1 148 . 1 1 26 26 GLN CB C 13 27.800 0.200 . 1 . . . . . . . . 6494 1 149 . 1 1 26 26 GLN C C 13 178.700 0.200 . 1 . . . . . . . . 6494 1 150 . 1 1 26 26 GLN HA H 1 4.080 0.010 . 1 . . . . . . . . 6494 1 151 . 1 1 27 27 LEU H H 1 7.550 0.010 . 1 . . . . . . . . 6494 1 152 . 1 1 27 27 LEU N N 15 120.800 0.050 . 1 . . . . . . . . 6494 1 153 . 1 1 27 27 LEU CA C 13 57.400 0.200 . 1 . . . . . . . . 6494 1 154 . 1 1 27 27 LEU C C 13 177.600 0.200 . 1 . . . . . . . . 6494 1 155 . 1 1 27 27 LEU HA H 1 4.110 0.010 . 1 . . . . . . . . 6494 1 156 . 1 1 28 28 LEU H H 1 8.180 0.010 . 1 . . . . . . . . 6494 1 157 . 1 1 28 28 LEU N N 15 118.100 0.050 . 1 . . . . . . . . 6494 1 158 . 1 1 28 28 LEU CA C 13 57.300 0.200 . 1 . . . . . . . . 6494 1 159 . 1 1 28 28 LEU C C 13 178.400 0.200 . 1 . . . . . . . . 6494 1 160 . 1 1 28 28 LEU HA H 1 3.650 0.010 . 1 . . . . . . . . 6494 1 161 . 1 1 29 29 GLU H H 1 8.750 0.010 . 1 . . . . . . . . 6494 1 162 . 1 1 29 29 GLU N N 15 116.200 0.050 . 1 . . . . . . . . 6494 1 163 . 1 1 29 29 GLU CA C 13 59.700 0.200 . 1 . . . . . . . . 6494 1 164 . 1 1 29 29 GLU C C 13 179.400 0.200 . 1 . . . . . . . . 6494 1 165 . 1 1 29 29 GLU HA H 1 3.680 0.010 . 1 . . . . . . . . 6494 1 166 . 1 1 30 30 LYS H H 1 7.740 0.010 . 1 . . . . . . . . 6494 1 167 . 1 1 30 30 LYS N N 15 121.200 0.050 . 1 . . . . . . . . 6494 1 168 . 1 1 30 30 LYS CA C 13 57.100 0.200 . 1 . . . . . . . . 6494 1 169 . 1 1 30 30 LYS C C 13 178.400 0.200 . 1 . . . . . . . . 6494 1 170 . 1 1 30 30 LYS HA H 1 4.290 0.010 . 1 . . . . . . . . 6494 1 171 . 1 1 31 31 ILE H H 1 8.190 0.010 . 1 . . . . . . . . 6494 1 172 . 1 1 31 31 ILE N N 15 120.100 0.050 . 1 . . . . . . . . 6494 1 173 . 1 1 31 31 ILE CA C 13 66.200 0.200 . 1 . . . . . . . . 6494 1 174 . 1 1 31 31 ILE CB C 13 37.300 0.200 . 1 . . . . . . . . 6494 1 175 . 1 1 31 31 ILE C C 13 178.900 0.200 . 1 . . . . . . . . 6494 1 176 . 1 1 31 31 ILE HA H 1 3.350 0.010 . 1 . . . . . . . . 6494 1 177 . 1 1 32 32 ILE H H 1 8.450 0.010 . 1 . . . . . . . . 6494 1 178 . 1 1 32 32 ILE N N 15 121.200 0.050 . 1 . . . . . . . . 6494 1 179 . 1 1 32 32 ILE CA C 13 65.000 0.200 . 1 . . . . . . . . 6494 1 180 . 1 1 32 32 ILE CB C 13 37.700 0.200 . 1 . . . . . . . . 6494 1 181 . 1 1 32 32 ILE C C 13 178.600 0.200 . 1 . . . . . . . . 6494 1 182 . 1 1 32 32 ILE HA H 1 3.610 0.010 . 1 . . . . . . . . 6494 1 183 . 1 1 33 33 GLU H H 1 8.160 0.010 . 1 . . . . . . . . 6494 1 184 . 1 1 33 33 GLU N N 15 121.100 0.050 . 1 . . . . . . . . 6494 1 185 . 1 1 33 33 GLU CA C 13 58.500 0.200 . 1 . . . . . . . . 6494 1 186 . 1 1 33 33 GLU CB C 13 29.400 0.200 . 1 . . . . . . . . 6494 1 187 . 1 1 33 33 GLU C C 13 179.500 0.200 . 1 . . . . . . . . 6494 1 188 . 1 1 33 33 GLU HA H 1 4.020 0.010 . 1 . . . . . . . . 6494 1 189 . 1 1 34 34 GLU H H 1 8.280 0.010 . 1 . . . . . . . . 6494 1 190 . 1 1 34 34 GLU N N 15 115.400 0.050 . 1 . . . . . . . . 6494 1 191 . 1 1 34 34 GLU CA C 13 58.300 0.200 . 1 . . . . . . . . 6494 1 192 . 1 1 34 34 GLU CB C 13 29.400 0.200 . 1 . . . . . . . . 6494 1 193 . 1 1 34 34 GLU C C 13 177.700 0.200 . 1 . . . . . . . . 6494 1 194 . 1 1 34 34 GLU HA H 1 4.040 0.010 . 1 . . . . . . . . 6494 1 195 . 1 1 35 35 ASN H H 1 7.690 0.010 . 1 . . . . . . . . 6494 1 196 . 1 1 35 35 ASN N N 15 112.200 0.050 . 1 . . . . . . . . 6494 1 197 . 1 1 35 35 ASN CA C 13 53.100 0.200 . 1 . . . . . . . . 6494 1 198 . 1 1 35 35 ASN CB C 13 39.900 0.200 . 1 . . . . . . . . 6494 1 199 . 1 1 35 35 ASN C C 13 173.900 0.200 . 1 . . . . . . . . 6494 1 200 . 1 1 35 35 ASN HA H 1 4.830 0.010 . 1 . . . . . . . . 6494 1 201 . 1 1 36 36 HIS H H 1 7.840 0.010 . 1 . . . . . . . . 6494 1 202 . 1 1 36 36 HIS N N 15 119.700 0.050 . 1 . . . . . . . . 6494 1 203 . 1 1 36 36 HIS CA C 13 56.100 0.200 . 1 . . . . . . . . 6494 1 204 . 1 1 36 36 HIS CB C 13 26.100 0.200 . 1 . . . . . . . . 6494 1 205 . 1 1 36 36 HIS C C 13 174.600 0.200 . 1 . . . . . . . . 6494 1 206 . 1 1 36 36 HIS HA H 1 4.360 0.010 . 1 . . . . . . . . 6494 1 207 . 1 1 37 37 THR H H 1 7.640 0.010 . 1 . . . . . . . . 6494 1 208 . 1 1 37 37 THR N N 15 116.700 0.050 . 1 . . . . . . . . 6494 1 209 . 1 1 37 37 THR CA C 13 64.600 0.200 . 1 . . . . . . . . 6494 1 210 . 1 1 37 37 THR CB C 13 70.000 0.200 . 1 . . . . . . . . 6494 1 211 . 1 1 37 37 THR C C 13 174.600 0.200 . 1 . . . . . . . . 6494 1 212 . 1 1 37 37 THR HA H 1 3.900 0.010 . 1 . . . . . . . . 6494 1 213 . 1 1 38 38 LYS H H 1 9.000 0.010 . 1 . . . . . . . . 6494 1 214 . 1 1 38 38 LYS N N 15 129.400 0.050 . 1 . . . . . . . . 6494 1 215 . 1 1 38 38 LYS CA C 13 52.700 0.200 . 1 . . . . . . . . 6494 1 216 . 1 1 38 38 LYS CB C 13 30.500 0.200 . 1 . . . . . . . . 6494 1 217 . 1 1 38 38 LYS HA H 1 4.780 0.010 . 1 . . . . . . . . 6494 1 218 . 1 1 39 39 PRO CA C 13 63.800 0.200 . 1 . . . . . . . . 6494 1 219 . 1 1 39 39 PRO CB C 13 28.900 0.200 . 1 . . . . . . . . 6494 1 220 . 1 1 39 39 PRO C C 13 178.800 0.200 . 1 . . . . . . . . 6494 1 221 . 1 1 39 39 PRO HA H 1 2.700 0.010 . 1 . . . . . . . . 6494 1 222 . 1 1 40 40 GLU H H 1 9.170 0.010 . 1 . . . . . . . . 6494 1 223 . 1 1 40 40 GLU N N 15 116.200 0.050 . 1 . . . . . . . . 6494 1 224 . 1 1 40 40 GLU CA C 13 58.500 0.200 . 1 . . . . . . . . 6494 1 225 . 1 1 40 40 GLU CB C 13 27.000 0.200 . 1 . . . . . . . . 6494 1 226 . 1 1 40 40 GLU C C 13 177.100 0.200 . 1 . . . . . . . . 6494 1 227 . 1 1 40 40 GLU HA H 1 3.840 0.010 . 1 . . . . . . . . 6494 1 228 . 1 1 41 41 ASP H H 1 7.590 0.010 . 1 . . . . . . . . 6494 1 229 . 1 1 41 41 ASP N N 15 119.700 0.050 . 1 . . . . . . . . 6494 1 230 . 1 1 41 41 ASP CA C 13 54.300 0.200 . 1 . . . . . . . . 6494 1 231 . 1 1 41 41 ASP CB C 13 40.700 0.200 . 1 . . . . . . . . 6494 1 232 . 1 1 41 41 ASP C C 13 174.900 0.200 . 1 . . . . . . . . 6494 1 233 . 1 1 41 41 ASP HA H 1 4.780 0.010 . 1 . . . . . . . . 6494 1 234 . 1 1 42 42 VAL H H 1 7.620 0.010 . 1 . . . . . . . . 6494 1 235 . 1 1 42 42 VAL N N 15 121.600 0.050 . 1 . . . . . . . . 6494 1 236 . 1 1 42 42 VAL CA C 13 62.500 0.200 . 1 . . . . . . . . 6494 1 237 . 1 1 42 42 VAL C C 13 175.100 0.200 . 1 . . . . . . . . 6494 1 238 . 1 1 42 42 VAL HA H 1 3.990 0.010 . 1 . . . . . . . . 6494 1 239 . 1 1 43 43 VAL H H 1 8.950 0.010 . 1 . . . . . . . . 6494 1 240 . 1 1 43 43 VAL N N 15 128.400 0.050 . 1 . . . . . . . . 6494 1 241 . 1 1 43 43 VAL CA C 13 64.800 0.200 . 1 . . . . . . . . 6494 1 242 . 1 1 43 43 VAL CB C 13 30.300 0.200 . 1 . . . . . . . . 6494 1 243 . 1 1 43 43 VAL C C 13 176.500 0.200 . 1 . . . . . . . . 6494 1 244 . 1 1 43 43 VAL HA H 1 3.690 0.010 . 1 . . . . . . . . 6494 1 245 . 1 1 44 44 GLN H H 1 7.240 0.010 . 1 . . . . . . . . 6494 1 246 . 1 1 44 44 GLN N N 15 105.600 0.050 . 1 . . . . . . . . 6494 1 247 . 1 1 44 44 GLN CA C 13 53.200 0.200 . 1 . . . . . . . . 6494 1 248 . 1 1 44 44 GLN CB C 13 28.900 0.200 . 1 . . . . . . . . 6494 1 249 . 1 1 44 44 GLN C C 13 173.000 0.200 . 1 . . . . . . . . 6494 1 250 . 1 1 44 44 GLN HA H 1 4.880 0.010 . 1 . . . . . . . . 6494 1 251 . 1 1 45 45 MET H H 1 8.500 0.010 . 1 . . . . . . . . 6494 1 252 . 1 1 45 45 MET N N 15 117.700 0.050 . 1 . . . . . . . . 6494 1 253 . 1 1 45 45 MET CA C 13 54.600 0.200 . 1 . . . . . . . . 6494 1 254 . 1 1 45 45 MET CB C 13 37.300 0.200 . 1 . . . . . . . . 6494 1 255 . 1 1 45 45 MET C C 13 172.400 0.200 . 1 . . . . . . . . 6494 1 256 . 1 1 45 45 MET HA H 1 5.130 0.010 . 1 . . . . . . . . 6494 1 257 . 1 1 46 46 LEU H H 1 8.200 0.010 . 1 . . . . . . . . 6494 1 258 . 1 1 46 46 LEU N N 15 122.300 0.050 . 1 . . . . . . . . 6494 1 259 . 1 1 46 46 LEU CA C 13 52.000 0.200 . 1 . . . . . . . . 6494 1 260 . 1 1 46 46 LEU CB C 13 43.300 0.200 . 1 . . . . . . . . 6494 1 261 . 1 1 46 46 LEU C C 13 176.200 0.200 . 1 . . . . . . . . 6494 1 262 . 1 1 46 46 LEU HA H 1 5.400 0.010 . 1 . . . . . . . . 6494 1 263 . 1 1 47 47 LEU H H 1 8.150 0.010 . 1 . . . . . . . . 6494 1 264 . 1 1 47 47 LEU N N 15 123.600 0.050 . 1 . . . . . . . . 6494 1 265 . 1 1 47 47 LEU CA C 13 53.500 0.200 . 1 . . . . . . . . 6494 1 266 . 1 1 47 47 LEU C C 13 174.600 0.200 . 1 . . . . . . . . 6494 1 267 . 1 1 47 47 LEU HA H 1 5.470 0.010 . 1 . . . . . . . . 6494 1 268 . 1 1 48 48 SER H H 1 9.700 0.010 . 1 . . . . . . . . 6494 1 269 . 1 1 48 48 SER N N 15 117.700 0.050 . 1 . . . . . . . . 6494 1 270 . 1 1 48 48 SER CA C 13 53.400 0.200 . 1 . . . . . . . . 6494 1 271 . 1 1 48 48 SER CB C 13 66.900 0.200 . 1 . . . . . . . . 6494 1 272 . 1 1 48 48 SER C C 13 173.100 0.200 . 1 . . . . . . . . 6494 1 273 . 1 1 48 48 SER HA H 1 6.100 0.010 . 1 . . . . . . . . 6494 1 274 . 1 1 49 49 ALA H H 1 7.760 0.010 . 1 . . . . . . . . 6494 1 275 . 1 1 49 49 ALA N N 15 120.100 0.050 . 1 . . . . . . . . 6494 1 276 . 1 1 49 49 ALA CA C 13 49.300 0.200 . 1 . . . . . . . . 6494 1 277 . 1 1 49 49 ALA CB C 13 22.900 0.200 . 1 . . . . . . . . 6494 1 278 . 1 1 49 49 ALA C C 13 177.500 0.200 . 1 . . . . . . . . 6494 1 279 . 1 1 49 49 ALA HA H 1 5.590 0.010 . 1 . . . . . . . . 6494 1 280 . 1 1 50 50 THR H H 1 8.030 0.010 . 1 . . . . . . . . 6494 1 281 . 1 1 50 50 THR N N 15 114.700 0.050 . 1 . . . . . . . . 6494 1 282 . 1 1 50 50 THR CA C 13 60.600 0.200 . 1 . . . . . . . . 6494 1 283 . 1 1 50 50 THR CB C 13 66.500 0.200 . 1 . . . . . . . . 6494 1 284 . 1 1 50 50 THR HA H 1 3.840 0.010 . 1 . . . . . . . . 6494 1 285 . 1 1 51 51 PRO CA C 13 64.000 0.200 . 1 . . . . . . . . 6494 1 286 . 1 1 51 51 PRO CB C 13 30.000 0.200 . 1 . . . . . . . . 6494 1 287 . 1 1 51 51 PRO C C 13 173.600 0.200 . 1 . . . . . . . . 6494 1 288 . 1 1 51 51 PRO HA H 1 4.520 0.010 . 1 . . . . . . . . 6494 1 289 . 1 1 52 52 ASP H H 1 7.940 0.010 . 1 . . . . . . . . 6494 1 290 . 1 1 52 52 ASP N N 15 117.100 0.050 . 1 . . . . . . . . 6494 1 291 . 1 1 52 52 ASP CA C 13 52.000 0.200 . 1 . . . . . . . . 6494 1 292 . 1 1 52 52 ASP CB C 13 39.800 0.200 . 1 . . . . . . . . 6494 1 293 . 1 1 52 52 ASP C C 13 174.800 0.200 . 1 . . . . . . . . 6494 1 294 . 1 1 52 52 ASP HA H 1 4.580 0.010 . 1 . . . . . . . . 6494 1 295 . 1 1 53 53 LEU H H 1 6.960 0.010 . 1 . . . . . . . . 6494 1 296 . 1 1 53 53 LEU N N 15 119.700 0.050 . 1 . . . . . . . . 6494 1 297 . 1 1 53 53 LEU CA C 13 52.800 0.200 . 1 . . . . . . . . 6494 1 298 . 1 1 53 53 LEU CB C 13 42.500 0.200 . 1 . . . . . . . . 6494 1 299 . 1 1 53 53 LEU C C 13 175.100 0.200 . 1 . . . . . . . . 6494 1 300 . 1 1 53 53 LEU HA H 1 4.410 0.010 . 1 . . . . . . . . 6494 1 301 . 1 1 54 54 HIS H H 1 10.160 0.010 . 1 . . . . . . . . 6494 1 302 . 1 1 54 54 HIS N N 15 117.800 0.050 . 1 . . . . . . . . 6494 1 303 . 1 1 54 54 HIS CA C 13 53.800 0.200 . 1 . . . . . . . . 6494 1 304 . 1 1 54 54 HIS CB C 13 31.200 0.200 . 1 . . . . . . . . 6494 1 305 . 1 1 54 54 HIS C C 13 176.600 0.200 . 1 . . . . . . . . 6494 1 306 . 1 1 54 54 HIS HA H 1 4.840 0.010 . 1 . . . . . . . . 6494 1 307 . 1 1 55 55 ALA H H 1 9.830 0.010 . 1 . . . . . . . . 6494 1 308 . 1 1 55 55 ALA N N 15 123.600 0.050 . 1 . . . . . . . . 6494 1 309 . 1 1 55 55 ALA CA C 13 56.100 0.200 . 1 . . . . . . . . 6494 1 310 . 1 1 55 55 ALA CB C 13 18.200 0.200 . 1 . . . . . . . . 6494 1 311 . 1 1 55 55 ALA C C 13 178.200 0.200 . 1 . . . . . . . . 6494 1 312 . 1 1 55 55 ALA HA H 1 3.940 0.010 . 1 . . . . . . . . 6494 1 313 . 1 1 56 56 VAL H H 1 6.830 0.010 . 1 . . . . . . . . 6494 1 314 . 1 1 56 56 VAL N N 15 110.000 0.050 . 1 . . . . . . . . 6494 1 315 . 1 1 56 56 VAL CA C 13 58.900 0.200 . 1 . . . . . . . . 6494 1 316 . 1 1 56 56 VAL CB C 13 32.900 0.200 . 1 . . . . . . . . 6494 1 317 . 1 1 56 56 VAL C C 13 171.800 0.200 . 1 . . . . . . . . 6494 1 318 . 1 1 56 56 VAL HA H 1 4.100 0.010 . 1 . . . . . . . . 6494 1 319 . 1 1 57 57 PHE H H 1 7.570 0.010 . 1 . . . . . . . . 6494 1 320 . 1 1 57 57 PHE N N 15 122.000 0.050 . 1 . . . . . . . . 6494 1 321 . 1 1 57 57 PHE CA C 13 56.100 0.200 . 1 . . . . . . . . 6494 1 322 . 1 1 57 57 PHE CB C 13 39.000 0.200 . 1 . . . . . . . . 6494 1 323 . 1 1 57 57 PHE HA H 1 4.750 0.010 . 1 . . . . . . . . 6494 1 324 . 1 1 58 58 PRO CA C 13 63.900 0.200 . 1 . . . . . . . . 6494 1 325 . 1 1 58 58 PRO CB C 13 30.700 0.200 . 1 . . . . . . . . 6494 1 326 . 1 1 58 58 PRO C C 13 175.200 0.200 . 1 . . . . . . . . 6494 1 327 . 1 1 58 58 PRO HA H 1 3.940 0.010 . 1 . . . . . . . . 6494 1 328 . 1 1 59 59 ALA H H 1 6.010 0.010 . 1 . . . . . . . . 6494 1 329 . 1 1 59 59 ALA N N 15 113.300 0.050 . 1 . . . . . . . . 6494 1 330 . 1 1 59 59 ALA CA C 13 53.200 0.200 . 1 . . . . . . . . 6494 1 331 . 1 1 59 59 ALA CB C 13 19.400 0.200 . 1 . . . . . . . . 6494 1 332 . 1 1 59 59 ALA C C 13 178.100 0.200 . 1 . . . . . . . . 6494 1 333 . 1 1 59 59 ALA HA H 1 3.650 0.010 . 1 . . . . . . . . 6494 1 334 . 1 1 60 60 LYS H H 1 7.710 0.010 . 1 . . . . . . . . 6494 1 335 . 1 1 60 60 LYS N N 15 120.800 0.050 . 1 . . . . . . . . 6494 1 336 . 1 1 60 60 LYS CA C 13 58.800 0.200 . 1 . . . . . . . . 6494 1 337 . 1 1 60 60 LYS CB C 13 31.600 0.200 . 1 . . . . . . . . 6494 1 338 . 1 1 60 60 LYS C C 13 177.500 0.200 . 1 . . . . . . . . 6494 1 339 . 1 1 60 60 LYS HA H 1 3.930 0.010 . 1 . . . . . . . . 6494 1 340 . 1 1 61 61 ALA H H 1 7.530 0.010 . 1 . . . . . . . . 6494 1 341 . 1 1 61 61 ALA N N 15 119.000 0.050 . 1 . . . . . . . . 6494 1 342 . 1 1 61 61 ALA CA C 13 53.600 0.200 . 1 . . . . . . . . 6494 1 343 . 1 1 61 61 ALA CB C 13 18.500 0.200 . 1 . . . . . . . . 6494 1 344 . 1 1 61 61 ALA C C 13 178.600 0.200 . 1 . . . . . . . . 6494 1 345 . 1 1 61 61 ALA HA H 1 3.940 0.010 . 1 . . . . . . . . 6494 1 346 . 1 1 62 62 VAL H H 1 7.240 0.010 . 1 . . . . . . . . 6494 1 347 . 1 1 62 62 VAL N N 15 114.600 0.050 . 1 . . . . . . . . 6494 1 348 . 1 1 62 62 VAL CA C 13 64.900 0.200 . 1 . . . . . . . . 6494 1 349 . 1 1 62 62 VAL CB C 13 30.300 0.200 . 1 . . . . . . . . 6494 1 350 . 1 1 62 62 VAL C C 13 177.000 0.200 . 1 . . . . . . . . 6494 1 351 . 1 1 62 62 VAL HA H 1 3.160 0.010 . 1 . . . . . . . . 6494 1 352 . 1 1 63 63 ARG H H 1 7.010 0.010 . 1 . . . . . . . . 6494 1 353 . 1 1 63 63 ARG N N 15 115.500 0.050 . 1 . . . . . . . . 6494 1 354 . 1 1 63 63 ARG CA C 13 56.800 0.200 . 1 . . . . . . . . 6494 1 355 . 1 1 63 63 ARG CB C 13 28.500 0.200 . 1 . . . . . . . . 6494 1 356 . 1 1 63 63 ARG C C 13 176.800 0.200 . 1 . . . . . . . . 6494 1 357 . 1 1 63 63 ARG HA H 1 4.070 0.010 . 1 . . . . . . . . 6494 1 358 . 1 1 64 64 GLU H H 1 7.190 0.010 . 1 . . . . . . . . 6494 1 359 . 1 1 64 64 GLU N N 15 115.800 0.050 . 1 . . . . . . . . 6494 1 360 . 1 1 64 64 GLU CA C 13 55.600 0.200 . 1 . . . . . . . . 6494 1 361 . 1 1 64 64 GLU CB C 13 28.800 0.200 . 1 . . . . . . . . 6494 1 362 . 1 1 64 64 GLU C C 13 176.200 0.200 . 1 . . . . . . . . 6494 1 363 . 1 1 64 64 GLU HA H 1 4.150 0.010 . 1 . . . . . . . . 6494 1 364 . 1 1 65 65 LEU H H 1 7.300 0.010 . 1 . . . . . . . . 6494 1 365 . 1 1 65 65 LEU N N 15 121.800 0.050 . 1 . . . . . . . . 6494 1 366 . 1 1 65 65 LEU CA C 13 53.000 0.200 . 1 . . . . . . . . 6494 1 367 . 1 1 65 65 LEU CB C 13 39.700 0.200 . 1 . . . . . . . . 6494 1 368 . 1 1 65 65 LEU C C 13 176.700 0.200 . 1 . . . . . . . . 6494 1 369 . 1 1 65 65 LEU HA H 1 4.350 0.010 . 1 . . . . . . . . 6494 1 370 . 1 1 66 66 SER H H 1 8.630 0.010 . 1 . . . . . . . . 6494 1 371 . 1 1 66 66 SER N N 15 121.300 0.050 . 1 . . . . . . . . 6494 1 372 . 1 1 66 66 SER CA C 13 59.400 0.200 . 1 . . . . . . . . 6494 1 373 . 1 1 66 66 SER CB C 13 62.000 0.200 . 1 . . . . . . . . 6494 1 374 . 1 1 66 66 SER HA H 1 4.330 0.010 . 1 . . . . . . . . 6494 1 375 . 1 1 67 67 GLY CA C 13 45.500 0.200 . 1 . . . . . . . . 6494 1 376 . 1 1 67 67 GLY C C 13 176.500 0.200 . 1 . . . . . . . . 6494 1 377 . 1 1 68 68 TRP H H 1 7.910 0.010 . 1 . . . . . . . . 6494 1 378 . 1 1 68 68 TRP N N 15 121.300 0.050 . 1 . . . . . . . . 6494 1 379 . 1 1 68 68 TRP CA C 13 59.200 0.200 . 1 . . . . . . . . 6494 1 380 . 1 1 68 68 TRP CB C 13 26.100 0.200 . 1 . . . . . . . . 6494 1 381 . 1 1 68 68 TRP C C 13 177.300 0.200 . 1 . . . . . . . . 6494 1 382 . 1 1 68 68 TRP HA H 1 4.300 0.010 . 1 . . . . . . . . 6494 1 383 . 1 1 69 69 GLN H H 1 9.090 0.010 . 1 . . . . . . . . 6494 1 384 . 1 1 69 69 GLN N N 15 119.900 0.050 . 1 . . . . . . . . 6494 1 385 . 1 1 69 69 GLN CA C 13 58.300 0.200 . 1 . . . . . . . . 6494 1 386 . 1 1 69 69 GLN CB C 13 26.200 0.200 . 1 . . . . . . . . 6494 1 387 . 1 1 69 69 GLN C C 13 175.800 0.200 . 1 . . . . . . . . 6494 1 388 . 1 1 69 69 GLN HA H 1 3.890 0.010 . 1 . . . . . . . . 6494 1 389 . 1 1 70 70 TYR H H 1 8.630 0.010 . 1 . . . . . . . . 6494 1 390 . 1 1 70 70 TYR N N 15 118.100 0.050 . 1 . . . . . . . . 6494 1 391 . 1 1 70 70 TYR CA C 13 55.800 0.200 . 1 . . . . . . . . 6494 1 392 . 1 1 70 70 TYR CB C 13 37.000 0.200 . 1 . . . . . . . . 6494 1 393 . 1 1 70 70 TYR C C 13 175.300 0.200 . 1 . . . . . . . . 6494 1 394 . 1 1 70 70 TYR HA H 1 4.910 0.010 . 1 . . . . . . . . 6494 1 395 . 1 1 71 71 VAL H H 1 7.220 0.010 . 1 . . . . . . . . 6494 1 396 . 1 1 71 71 VAL N N 15 124.800 0.050 . 1 . . . . . . . . 6494 1 397 . 1 1 71 71 VAL CA C 13 60.800 0.200 . 1 . . . . . . . . 6494 1 398 . 1 1 71 71 VAL CB C 13 31.800 0.200 . 1 . . . . . . . . 6494 1 399 . 1 1 71 71 VAL HA H 1 3.890 0.010 . 1 . . . . . . . . 6494 1 400 . 1 1 72 72 PRO CA C 13 62.400 0.200 . 1 . . . . . . . . 6494 1 401 . 1 1 72 72 PRO CB C 13 31.000 0.200 . 1 . . . . . . . . 6494 1 402 . 1 1 72 72 PRO C C 13 176.300 0.200 . 1 . . . . . . . . 6494 1 403 . 1 1 72 72 PRO HA H 1 4.100 0.010 . 1 . . . . . . . . 6494 1 404 . 1 1 73 73 VAL H H 1 8.000 0.010 . 1 . . . . . . . . 6494 1 405 . 1 1 73 73 VAL N N 15 123.000 0.050 . 1 . . . . . . . . 6494 1 406 . 1 1 73 73 VAL CA C 13 58.000 0.200 . 1 . . . . . . . . 6494 1 407 . 1 1 73 73 VAL CB C 13 33.800 0.200 . 1 . . . . . . . . 6494 1 408 . 1 1 73 73 VAL C C 13 174.400 0.200 . 1 . . . . . . . . 6494 1 409 . 1 1 73 73 VAL HA H 1 5.430 0.010 . 1 . . . . . . . . 6494 1 410 . 1 1 74 74 THR H H 1 7.890 0.010 . 1 . . . . . . . . 6494 1 411 . 1 1 74 74 THR N N 15 119.700 0.050 . 1 . . . . . . . . 6494 1 412 . 1 1 74 74 THR CA C 13 61.700 0.200 . 1 . . . . . . . . 6494 1 413 . 1 1 74 74 THR CB C 13 71.700 0.200 . 1 . . . . . . . . 6494 1 414 . 1 1 74 74 THR C C 13 171.800 0.200 . 1 . . . . . . . . 6494 1 415 . 1 1 74 74 THR HA H 1 4.530 0.010 . 1 . . . . . . . . 6494 1 416 . 1 1 75 75 CYS H H 1 8.080 0.010 . 1 . . . . . . . . 6494 1 417 . 1 1 75 75 CYS N N 15 120.400 0.050 . 1 . . . . . . . . 6494 1 418 . 1 1 75 75 CYS CA C 13 57.000 0.200 . 1 . . . . . . . . 6494 1 419 . 1 1 75 75 CYS CB C 13 31.000 0.200 . 1 . . . . . . . . 6494 1 420 . 1 1 75 75 CYS C C 13 172.800 0.200 . 1 . . . . . . . . 6494 1 421 . 1 1 75 75 CYS HA H 1 6.160 0.010 . 1 . . . . . . . . 6494 1 422 . 1 1 76 76 MET H H 1 8.080 0.010 . 1 . . . . . . . . 6494 1 423 . 1 1 76 76 MET N N 15 112.700 0.050 . 1 . . . . . . . . 6494 1 424 . 1 1 76 76 MET CA C 13 55.000 0.200 . 1 . . . . . . . . 6494 1 425 . 1 1 76 76 MET CB C 13 32.400 0.200 . 1 . . . . . . . . 6494 1 426 . 1 1 76 76 MET C C 13 173.500 0.200 . 1 . . . . . . . . 6494 1 427 . 1 1 76 76 MET HA H 1 4.880 0.010 . 1 . . . . . . . . 6494 1 428 . 1 1 77 77 GLN H H 1 8.520 0.010 . 1 . . . . . . . . 6494 1 429 . 1 1 77 77 GLN N N 15 120.600 0.050 . 1 . . . . . . . . 6494 1 430 . 1 1 77 77 GLN CA C 13 55.100 0.200 . 1 . . . . . . . . 6494 1 431 . 1 1 77 77 GLN CB C 13 30.500 0.200 . 1 . . . . . . . . 6494 1 432 . 1 1 77 77 GLN C C 13 175.700 0.200 . 1 . . . . . . . . 6494 1 433 . 1 1 77 77 GLN HA H 1 4.720 0.010 . 1 . . . . . . . . 6494 1 434 . 1 1 78 78 GLU H H 1 8.220 0.010 . 1 . . . . . . . . 6494 1 435 . 1 1 78 78 GLU N N 15 128.400 0.050 . 1 . . . . . . . . 6494 1 436 . 1 1 78 78 GLU CA C 13 54.700 0.200 . 1 . . . . . . . . 6494 1 437 . 1 1 78 78 GLU CB C 13 30.600 0.200 . 1 . . . . . . . . 6494 1 438 . 1 1 78 78 GLU C C 13 176.100 0.200 . 1 . . . . . . . . 6494 1 439 . 1 1 78 78 GLU HA H 1 4.490 0.010 . 1 . . . . . . . . 6494 1 440 . 1 1 79 79 MET H H 1 10.650 0.010 . 1 . . . . . . . . 6494 1 441 . 1 1 79 79 MET N N 15 126.200 0.050 . 1 . . . . . . . . 6494 1 442 . 1 1 79 79 MET CA C 13 57.100 0.200 . 1 . . . . . . . . 6494 1 443 . 1 1 79 79 MET CB C 13 34.100 0.200 . 1 . . . . . . . . 6494 1 444 . 1 1 79 79 MET C C 13 175.200 0.200 . 1 . . . . . . . . 6494 1 445 . 1 1 79 79 MET HA H 1 3.970 0.010 . 1 . . . . . . . . 6494 1 446 . 1 1 80 80 ASP H H 1 9.190 0.010 . 1 . . . . . . . . 6494 1 447 . 1 1 80 80 ASP N N 15 124.000 0.050 . 1 . . . . . . . . 6494 1 448 . 1 1 80 80 ASP CA C 13 52.400 0.200 . 1 . . . . . . . . 6494 1 449 . 1 1 80 80 ASP CB C 13 40.300 0.200 . 1 . . . . . . . . 6494 1 450 . 1 1 80 80 ASP C C 13 175.400 0.200 . 1 . . . . . . . . 6494 1 451 . 1 1 80 80 ASP HA H 1 4.560 0.010 . 1 . . . . . . . . 6494 1 452 . 1 1 81 81 VAL H H 1 7.190 0.010 . 1 . . . . . . . . 6494 1 453 . 1 1 81 81 VAL N N 15 125.200 0.050 . 1 . . . . . . . . 6494 1 454 . 1 1 81 81 VAL CA C 13 59.700 0.200 . 1 . . . . . . . . 6494 1 455 . 1 1 81 81 VAL CB C 13 33.700 0.200 . 1 . . . . . . . . 6494 1 456 . 1 1 81 81 VAL C C 13 177.500 0.200 . 1 . . . . . . . . 6494 1 457 . 1 1 81 81 VAL HA H 1 4.470 0.010 . 1 . . . . . . . . 6494 1 458 . 1 1 82 82 THR H H 1 8.860 0.010 . 1 . . . . . . . . 6494 1 459 . 1 1 82 82 THR N N 15 127.800 0.050 . 1 . . . . . . . . 6494 1 460 . 1 1 82 82 THR CA C 13 64.000 0.200 . 1 . . . . . . . . 6494 1 461 . 1 1 82 82 THR CB C 13 67.900 0.200 . 1 . . . . . . . . 6494 1 462 . 1 1 82 82 THR HA H 1 3.930 0.010 . 1 . . . . . . . . 6494 1 463 . 1 1 83 83 GLY CA C 13 44.800 0.200 . 1 . . . . . . . . 6494 1 464 . 1 1 83 83 GLY C C 13 175.000 0.200 . 1 . . . . . . . . 6494 1 465 . 1 1 83 83 GLY HA2 H 1 3.530 0.010 . 1 . . . . . . . . 6494 1 466 . 1 1 83 83 GLY HA3 H 1 4.130 0.010 . 1 . . . . . . . . 6494 1 467 . 1 1 84 84 GLY H H 1 8.310 0.010 . 1 . . . . . . . . 6494 1 468 . 1 1 84 84 GLY N N 15 109.500 0.050 . 1 . . . . . . . . 6494 1 469 . 1 1 84 84 GLY CA C 13 43.900 0.200 . 1 . . . . . . . . 6494 1 470 . 1 1 84 84 GLY C C 13 173.400 0.200 . 1 . . . . . . . . 6494 1 471 . 1 1 84 84 GLY HA2 H 1 3.520 0.010 . 1 . . . . . . . . 6494 1 472 . 1 1 84 84 GLY HA3 H 1 4.160 0.010 . 1 . . . . . . . . 6494 1 473 . 1 1 85 85 LEU H H 1 7.990 0.010 . 1 . . . . . . . . 6494 1 474 . 1 1 85 85 LEU N N 15 125.600 0.050 . 1 . . . . . . . . 6494 1 475 . 1 1 85 85 LEU CA C 13 55.400 0.200 . 1 . . . . . . . . 6494 1 476 . 1 1 85 85 LEU CB C 13 41.900 0.200 . 1 . . . . . . . . 6494 1 477 . 1 1 85 85 LEU C C 13 177.100 0.200 . 1 . . . . . . . . 6494 1 478 . 1 1 85 85 LEU HA H 1 4.190 0.010 . 1 . . . . . . . . 6494 1 479 . 1 1 86 86 LYS H H 1 8.170 0.010 . 1 . . . . . . . . 6494 1 480 . 1 1 86 86 LYS N N 15 126.000 0.050 . 1 . . . . . . . . 6494 1 481 . 1 1 86 86 LYS CA C 13 54.800 0.200 . 1 . . . . . . . . 6494 1 482 . 1 1 86 86 LYS CB C 13 32.100 0.200 . 1 . . . . . . . . 6494 1 483 . 1 1 86 86 LYS C C 13 175.300 0.200 . 1 . . . . . . . . 6494 1 484 . 1 1 86 86 LYS HA H 1 4.280 0.010 . 1 . . . . . . . . 6494 1 485 . 1 1 87 87 LYS H H 1 9.540 0.010 . 1 . . . . . . . . 6494 1 486 . 1 1 87 87 LYS N N 15 119.600 0.050 . 1 . . . . . . . . 6494 1 487 . 1 1 87 87 LYS CA C 13 56.400 0.200 . 1 . . . . . . . . 6494 1 488 . 1 1 87 87 LYS CB C 13 30.300 0.200 . 1 . . . . . . . . 6494 1 489 . 1 1 87 87 LYS C C 13 173.700 0.200 . 1 . . . . . . . . 6494 1 490 . 1 1 87 87 LYS HA H 1 3.290 0.010 . 1 . . . . . . . . 6494 1 491 . 1 1 88 88 CYS H H 1 8.350 0.010 . 1 . . . . . . . . 6494 1 492 . 1 1 88 88 CYS N N 15 116.500 0.050 . 1 . . . . . . . . 6494 1 493 . 1 1 88 88 CYS CA C 13 57.500 0.200 . 1 . . . . . . . . 6494 1 494 . 1 1 88 88 CYS C C 13 175.000 0.200 . 1 . . . . . . . . 6494 1 495 . 1 1 88 88 CYS HA H 1 5.150 0.010 . 1 . . . . . . . . 6494 1 496 . 1 1 89 89 ILE H H 1 8.420 0.010 . 1 . . . . . . . . 6494 1 497 . 1 1 89 89 ILE N N 15 133.000 0.050 . 1 . . . . . . . . 6494 1 498 . 1 1 89 89 ILE CA C 13 59.000 0.200 . 1 . . . . . . . . 6494 1 499 . 1 1 89 89 ILE CB C 13 40.200 0.200 . 1 . . . . . . . . 6494 1 500 . 1 1 89 89 ILE C C 13 174.400 0.200 . 1 . . . . . . . . 6494 1 501 . 1 1 89 89 ILE HA H 1 5.040 0.010 . 1 . . . . . . . . 6494 1 502 . 1 1 90 90 ARG H H 1 8.700 0.010 . 1 . . . . . . . . 6494 1 503 . 1 1 90 90 ARG N N 15 124.300 0.050 . 1 . . . . . . . . 6494 1 504 . 1 1 90 90 ARG CA C 13 53.400 0.200 . 1 . . . . . . . . 6494 1 505 . 1 1 90 90 ARG CB C 13 32.300 0.200 . 1 . . . . . . . . 6494 1 506 . 1 1 90 90 ARG C C 13 175.600 0.200 . 1 . . . . . . . . 6494 1 507 . 1 1 90 90 ARG HA H 1 5.240 0.010 . 1 . . . . . . . . 6494 1 508 . 1 1 91 91 VAL H H 1 8.870 0.010 . 1 . . . . . . . . 6494 1 509 . 1 1 91 91 VAL N N 15 119.500 0.050 . 1 . . . . . . . . 6494 1 510 . 1 1 91 91 VAL CA C 13 59.000 0.200 . 1 . . . . . . . . 6494 1 511 . 1 1 91 91 VAL C C 13 175.500 0.200 . 1 . . . . . . . . 6494 1 512 . 1 1 91 91 VAL HA H 1 4.990 0.010 . 1 . . . . . . . . 6494 1 513 . 1 1 92 92 MET H H 1 8.920 0.010 . 1 . . . . . . . . 6494 1 514 . 1 1 92 92 MET N N 15 126.900 0.050 . 1 . . . . . . . . 6494 1 515 . 1 1 92 92 MET CA C 13 54.100 0.200 . 1 . . . . . . . . 6494 1 516 . 1 1 92 92 MET C C 13 174.600 0.200 . 1 . . . . . . . . 6494 1 517 . 1 1 92 92 MET HA H 1 5.260 0.010 . 1 . . . . . . . . 6494 1 518 . 1 1 93 93 MET H H 1 10.190 0.010 . 1 . . . . . . . . 6494 1 519 . 1 1 93 93 MET N N 15 134.200 0.050 . 1 . . . . . . . . 6494 1 520 . 1 1 93 93 MET CA C 13 54.600 0.200 . 1 . . . . . . . . 6494 1 521 . 1 1 93 93 MET CB C 13 35.400 0.200 . 1 . . . . . . . . 6494 1 522 . 1 1 93 93 MET C C 13 173.500 0.200 . 1 . . . . . . . . 6494 1 523 . 1 1 93 93 MET HA H 1 4.690 0.010 . 1 . . . . . . . . 6494 1 524 . 1 1 94 94 THR H H 1 8.500 0.010 . 1 . . . . . . . . 6494 1 525 . 1 1 94 94 THR N N 15 125.500 0.050 . 1 . . . . . . . . 6494 1 526 . 1 1 94 94 THR CA C 13 62.700 0.200 . 1 . . . . . . . . 6494 1 527 . 1 1 94 94 THR CB C 13 68.900 0.200 . 1 . . . . . . . . 6494 1 528 . 1 1 94 94 THR C C 13 173.900 0.200 . 1 . . . . . . . . 6494 1 529 . 1 1 94 94 THR HA H 1 4.810 0.010 . 1 . . . . . . . . 6494 1 530 . 1 1 95 95 VAL H H 1 9.180 0.010 . 1 . . . . . . . . 6494 1 531 . 1 1 95 95 VAL N N 15 122.300 0.050 . 1 . . . . . . . . 6494 1 532 . 1 1 95 95 VAL CA C 13 58.800 0.200 . 1 . . . . . . . . 6494 1 533 . 1 1 95 95 VAL C C 13 174.000 0.200 . 1 . . . . . . . . 6494 1 534 . 1 1 95 95 VAL HA H 1 5.410 0.010 . 1 . . . . . . . . 6494 1 535 . 1 1 96 96 GLN H H 1 9.070 0.010 . 1 . . . . . . . . 6494 1 536 . 1 1 96 96 GLN N N 15 123.400 0.050 . 1 . . . . . . . . 6494 1 537 . 1 1 96 96 GLN CA C 13 54.800 0.200 . 1 . . . . . . . . 6494 1 538 . 1 1 96 96 GLN CB C 13 28.400 0.200 . 1 . . . . . . . . 6494 1 539 . 1 1 96 96 GLN C C 13 175.200 0.200 . 1 . . . . . . . . 6494 1 540 . 1 1 96 96 GLN HA H 1 5.110 0.010 . 1 . . . . . . . . 6494 1 541 . 1 1 97 97 THR H H 1 8.690 0.010 . 1 . . . . . . . . 6494 1 542 . 1 1 97 97 THR N N 15 123.300 0.050 . 1 . . . . . . . . 6494 1 543 . 1 1 97 97 THR CA C 13 60.100 0.200 . 1 . . . . . . . . 6494 1 544 . 1 1 97 97 THR CB C 13 67.200 0.200 . 1 . . . . . . . . 6494 1 545 . 1 1 97 97 THR C C 13 171.300 0.200 . 1 . . . . . . . . 6494 1 546 . 1 1 97 97 THR HA H 1 4.640 0.010 . 1 . . . . . . . . 6494 1 547 . 1 1 98 98 ASP H H 1 8.590 0.010 . 1 . . . . . . . . 6494 1 548 . 1 1 98 98 ASP N N 15 127.200 0.050 . 1 . . . . . . . . 6494 1 549 . 1 1 98 98 ASP CA C 13 53.200 0.200 . 1 . . . . . . . . 6494 1 550 . 1 1 98 98 ASP CB C 13 40.500 0.200 . 1 . . . . . . . . 6494 1 551 . 1 1 98 98 ASP C C 13 176.500 0.200 . 1 . . . . . . . . 6494 1 552 . 1 1 98 98 ASP HA H 1 4.840 0.010 . 1 . . . . . . . . 6494 1 553 . 1 1 99 99 VAL H H 1 8.380 0.010 . 1 . . . . . . . . 6494 1 554 . 1 1 99 99 VAL N N 15 127.800 0.050 . 1 . . . . . . . . 6494 1 555 . 1 1 99 99 VAL CA C 13 61.400 0.200 . 1 . . . . . . . . 6494 1 556 . 1 1 99 99 VAL CB C 13 31.600 0.200 . 1 . . . . . . . . 6494 1 557 . 1 1 99 99 VAL HA H 1 3.970 0.010 . 1 . . . . . . . . 6494 1 558 . 1 1 100 100 PRO CA C 13 62.300 0.200 . 1 . . . . . . . . 6494 1 559 . 1 1 100 100 PRO CB C 13 32.100 0.200 . 1 . . . . . . . . 6494 1 560 . 1 1 100 100 PRO C C 13 177.400 0.200 . 1 . . . . . . . . 6494 1 561 . 1 1 100 100 PRO HA H 1 4.330 0.010 . 1 . . . . . . . . 6494 1 562 . 1 1 101 101 GLN H H 1 8.940 0.010 . 1 . . . . . . . . 6494 1 563 . 1 1 101 101 GLN N N 15 121.100 0.050 . 1 . . . . . . . . 6494 1 564 . 1 1 101 101 GLN CA C 13 59.400 0.200 . 1 . . . . . . . . 6494 1 565 . 1 1 101 101 GLN CB C 13 30.600 0.200 . 1 . . . . . . . . 6494 1 566 . 1 1 101 101 GLN C C 13 178.300 0.200 . 1 . . . . . . . . 6494 1 567 . 1 1 101 101 GLN HA H 1 3.700 0.010 . 1 . . . . . . . . 6494 1 568 . 1 1 102 102 ASP H H 1 8.610 0.010 . 1 . . . . . . . . 6494 1 569 . 1 1 102 102 ASP N N 15 115.400 0.050 . 1 . . . . . . . . 6494 1 570 . 1 1 102 102 ASP CA C 13 54.700 0.200 . 1 . . . . . . . . 6494 1 571 . 1 1 102 102 ASP CB C 13 37.800 0.200 . 1 . . . . . . . . 6494 1 572 . 1 1 102 102 ASP C C 13 175.100 0.200 . 1 . . . . . . . . 6494 1 573 . 1 1 102 102 ASP HA H 1 3.520 0.010 . 1 . . . . . . . . 6494 1 574 . 1 1 103 103 GLN H H 1 7.690 0.010 . 1 . . . . . . . . 6494 1 575 . 1 1 103 103 GLN N N 15 117.400 0.050 . 1 . . . . . . . . 6494 1 576 . 1 1 103 103 GLN CA C 13 54.300 0.200 . 1 . . . . . . . . 6494 1 577 . 1 1 103 103 GLN CB C 13 29.600 0.200 . 1 . . . . . . . . 6494 1 578 . 1 1 103 103 GLN C C 13 175.800 0.200 . 1 . . . . . . . . 6494 1 579 . 1 1 103 103 GLN HA H 1 4.310 0.010 . 1 . . . . . . . . 6494 1 580 . 1 1 104 104 ILE H H 1 6.570 0.010 . 1 . . . . . . . . 6494 1 581 . 1 1 104 104 ILE N N 15 123.600 0.050 . 1 . . . . . . . . 6494 1 582 . 1 1 104 104 ILE CA C 13 59.700 0.200 . 1 . . . . . . . . 6494 1 583 . 1 1 104 104 ILE CB C 13 35.500 0.200 . 1 . . . . . . . . 6494 1 584 . 1 1 104 104 ILE C C 13 175.700 0.200 . 1 . . . . . . . . 6494 1 585 . 1 1 104 104 ILE HA H 1 3.690 0.010 . 1 . . . . . . . . 6494 1 586 . 1 1 105 105 ARG H H 1 8.060 0.010 . 1 . . . . . . . . 6494 1 587 . 1 1 105 105 ARG N N 15 128.500 0.050 . 1 . . . . . . . . 6494 1 588 . 1 1 105 105 ARG CA C 13 54.500 0.200 . 1 . . . . . . . . 6494 1 589 . 1 1 105 105 ARG CB C 13 28.200 0.200 . 1 . . . . . . . . 6494 1 590 . 1 1 105 105 ARG C C 13 173.500 0.200 . 1 . . . . . . . . 6494 1 591 . 1 1 105 105 ARG HA H 1 4.400 0.010 . 1 . . . . . . . . 6494 1 592 . 1 1 106 106 HIS H H 1 7.650 0.010 . 1 . . . . . . . . 6494 1 593 . 1 1 106 106 HIS N N 15 126.100 0.050 . 1 . . . . . . . . 6494 1 594 . 1 1 106 106 HIS CA C 13 55.600 0.200 . 1 . . . . . . . . 6494 1 595 . 1 1 106 106 HIS CB C 13 43.300 0.200 . 1 . . . . . . . . 6494 1 596 . 1 1 106 106 HIS C C 13 177.600 0.200 . 1 . . . . . . . . 6494 1 597 . 1 1 106 106 HIS HA H 1 4.980 0.010 . 1 . . . . . . . . 6494 1 598 . 1 1 107 107 VAL H H 1 7.760 0.010 . 1 . . . . . . . . 6494 1 599 . 1 1 107 107 VAL N N 15 124.100 0.050 . 1 . . . . . . . . 6494 1 600 . 1 1 107 107 VAL CA C 13 62.100 0.200 . 1 . . . . . . . . 6494 1 601 . 1 1 107 107 VAL CB C 13 34.000 0.200 . 1 . . . . . . . . 6494 1 602 . 1 1 107 107 VAL C C 13 172.500 0.200 . 1 . . . . . . . . 6494 1 603 . 1 1 107 107 VAL HA H 1 4.280 0.010 . 1 . . . . . . . . 6494 1 604 . 1 1 108 108 TYR H H 1 8.320 0.010 . 1 . . . . . . . . 6494 1 605 . 1 1 108 108 TYR N N 15 126.200 0.050 . 1 . . . . . . . . 6494 1 606 . 1 1 108 108 TYR CA C 13 56.200 0.200 . 1 . . . . . . . . 6494 1 607 . 1 1 108 108 TYR CB C 13 39.400 0.200 . 1 . . . . . . . . 6494 1 608 . 1 1 108 108 TYR C C 13 174.100 0.200 . 1 . . . . . . . . 6494 1 609 . 1 1 108 108 TYR HA H 1 4.960 0.010 . 1 . . . . . . . . 6494 1 610 . 1 1 109 109 LEU H H 1 8.620 0.010 . 1 . . . . . . . . 6494 1 611 . 1 1 109 109 LEU N N 15 122.000 0.050 . 1 . . . . . . . . 6494 1 612 . 1 1 109 109 LEU CA C 13 52.400 0.200 . 1 . . . . . . . . 6494 1 613 . 1 1 109 109 LEU CB C 13 45.400 0.200 . 1 . . . . . . . . 6494 1 614 . 1 1 109 109 LEU C C 13 176.000 0.200 . 1 . . . . . . . . 6494 1 615 . 1 1 109 109 LEU HA H 1 4.850 0.010 . 1 . . . . . . . . 6494 1 616 . 1 1 110 110 GLU H H 1 8.860 0.010 . 1 . . . . . . . . 6494 1 617 . 1 1 110 110 GLU N N 15 114.200 0.050 . 1 . . . . . . . . 6494 1 618 . 1 1 110 110 GLU CA C 13 55.700 0.200 . 1 . . . . . . . . 6494 1 619 . 1 1 110 110 GLU CB C 13 25.800 0.200 . 1 . . . . . . . . 6494 1 620 . 1 1 110 110 GLU C C 13 179.100 0.200 . 1 . . . . . . . . 6494 1 621 . 1 1 110 110 GLU HA H 1 3.820 0.010 . 1 . . . . . . . . 6494 1 622 . 1 1 111 111 LYS H H 1 8.310 0.010 . 1 . . . . . . . . 6494 1 623 . 1 1 111 111 LYS N N 15 121.600 0.050 . 1 . . . . . . . . 6494 1 624 . 1 1 111 111 LYS CA C 13 57.700 0.200 . 1 . . . . . . . . 6494 1 625 . 1 1 111 111 LYS CB C 13 29.800 0.200 . 1 . . . . . . . . 6494 1 626 . 1 1 111 111 LYS C C 13 177.400 0.200 . 1 . . . . . . . . 6494 1 627 . 1 1 111 111 LYS HA H 1 4.360 0.010 . 1 . . . . . . . . 6494 1 628 . 1 1 112 112 ALA H H 1 8.220 0.010 . 1 . . . . . . . . 6494 1 629 . 1 1 112 112 ALA N N 15 118.600 0.050 . 1 . . . . . . . . 6494 1 630 . 1 1 112 112 ALA CA C 13 52.200 0.200 . 1 . . . . . . . . 6494 1 631 . 1 1 112 112 ALA CB C 13 16.600 0.200 . 1 . . . . . . . . 6494 1 632 . 1 1 112 112 ALA C C 13 177.600 0.200 . 1 . . . . . . . . 6494 1 633 . 1 1 112 112 ALA HA H 1 4.220 0.010 . 1 . . . . . . . . 6494 1 634 . 1 1 113 113 VAL H H 1 6.950 0.010 . 1 . . . . . . . . 6494 1 635 . 1 1 113 113 VAL N N 15 116.500 0.050 . 1 . . . . . . . . 6494 1 636 . 1 1 113 113 VAL CA C 13 64.600 0.200 . 1 . . . . . . . . 6494 1 637 . 1 1 113 113 VAL CB C 13 30.300 0.200 . 1 . . . . . . . . 6494 1 638 . 1 1 113 113 VAL C C 13 177.300 0.200 . 1 . . . . . . . . 6494 1 639 . 1 1 113 113 VAL HA H 1 3.780 0.010 . 1 . . . . . . . . 6494 1 640 . 1 1 114 114 VAL H H 1 6.650 0.010 . 1 . . . . . . . . 6494 1 641 . 1 1 114 114 VAL N N 15 114.600 0.050 . 1 . . . . . . . . 6494 1 642 . 1 1 114 114 VAL CA C 13 63.000 0.200 . 1 . . . . . . . . 6494 1 643 . 1 1 114 114 VAL CB C 13 30.700 0.200 . 1 . . . . . . . . 6494 1 644 . 1 1 114 114 VAL C C 13 176.200 0.200 . 1 . . . . . . . . 6494 1 645 . 1 1 114 114 VAL HA H 1 4.120 0.010 . 1 . . . . . . . . 6494 1 646 . 1 1 115 115 LEU H H 1 7.780 0.010 . 1 . . . . . . . . 6494 1 647 . 1 1 115 115 LEU N N 15 119.900 0.050 . 1 . . . . . . . . 6494 1 648 . 1 1 115 115 LEU CA C 13 53.700 0.200 . 1 . . . . . . . . 6494 1 649 . 1 1 115 115 LEU CB C 13 40.100 0.200 . 1 . . . . . . . . 6494 1 650 . 1 1 115 115 LEU C C 13 176.800 0.200 . 1 . . . . . . . . 6494 1 651 . 1 1 115 115 LEU HA H 1 4.080 0.010 . 1 . . . . . . . . 6494 1 652 . 1 1 116 116 ARG H H 1 6.930 0.010 . 1 . . . . . . . . 6494 1 653 . 1 1 116 116 ARG N N 15 122.000 0.050 . 1 . . . . . . . . 6494 1 654 . 1 1 116 116 ARG CA C 13 53.900 0.200 . 1 . . . . . . . . 6494 1 655 . 1 1 116 116 ARG CB C 13 29.500 0.200 . 1 . . . . . . . . 6494 1 656 . 1 1 116 116 ARG HA H 1 4.830 0.010 . 1 . . . . . . . . 6494 1 657 . 1 1 117 117 PRO CA C 13 62.900 0.200 . 1 . . . . . . . . 6494 1 658 . 1 1 117 117 PRO CB C 13 31.100 0.200 . 1 . . . . . . . . 6494 1 659 . 1 1 117 117 PRO C C 13 176.400 0.200 . 1 . . . . . . . . 6494 1 660 . 1 1 117 117 PRO HA H 1 4.260 0.010 . 1 . . . . . . . . 6494 1 661 . 1 1 118 118 ASP H H 1 8.370 0.010 . 1 . . . . . . . . 6494 1 662 . 1 1 118 118 ASP N N 15 120.600 0.050 . 1 . . . . . . . . 6494 1 663 . 1 1 118 118 ASP CA C 13 53.400 0.200 . 1 . . . . . . . . 6494 1 664 . 1 1 118 118 ASP CB C 13 40.000 0.200 . 1 . . . . . . . . 6494 1 665 . 1 1 118 118 ASP C C 13 176.500 0.200 . 1 . . . . . . . . 6494 1 666 . 1 1 118 118 ASP HA H 1 4.550 0.010 . 1 . . . . . . . . 6494 1 667 . 1 1 119 119 LEU H H 1 8.140 0.010 . 1 . . . . . . . . 6494 1 668 . 1 1 119 119 LEU N N 15 124.000 0.050 . 1 . . . . . . . . 6494 1 669 . 1 1 119 119 LEU CA C 13 54.800 0.200 . 1 . . . . . . . . 6494 1 670 . 1 1 119 119 LEU CB C 13 40.900 0.200 . 1 . . . . . . . . 6494 1 671 . 1 1 119 119 LEU C C 13 177.600 0.200 . 1 . . . . . . . . 6494 1 672 . 1 1 119 119 LEU HA H 1 4.360 0.010 . 1 . . . . . . . . 6494 1 673 . 1 1 120 120 SER H H 1 8.290 0.010 . 1 . . . . . . . . 6494 1 674 . 1 1 120 120 SER N N 15 116.900 0.050 . 1 . . . . . . . . 6494 1 675 . 1 1 120 120 SER CA C 13 58.500 0.200 . 1 . . . . . . . . 6494 1 676 . 1 1 120 120 SER CB C 13 62.900 0.200 . 1 . . . . . . . . 6494 1 677 . 1 1 120 120 SER C C 13 174.800 0.200 . 1 . . . . . . . . 6494 1 678 . 1 1 120 120 SER HA H 1 4.380 0.010 . 1 . . . . . . . . 6494 1 679 . 1 1 121 121 LEU H H 1 8.120 0.010 . 1 . . . . . . . . 6494 1 680 . 1 1 121 121 LEU N N 15 124.100 0.050 . 1 . . . . . . . . 6494 1 681 . 1 1 121 121 LEU CA C 13 54.800 0.200 . 1 . . . . . . . . 6494 1 682 . 1 1 121 121 LEU CB C 13 41.200 0.200 . 1 . . . . . . . . 6494 1 683 . 1 1 121 121 LEU C C 13 177.600 0.200 . 1 . . . . . . . . 6494 1 684 . 1 1 121 121 LEU HA H 1 4.420 0.010 . 1 . . . . . . . . 6494 1 685 . 1 1 122 122 THR H H 1 8.010 0.010 . 1 . . . . . . . . 6494 1 686 . 1 1 122 122 THR N N 15 115.300 0.050 . 1 . . . . . . . . 6494 1 687 . 1 1 122 122 THR CA C 13 61.600 0.200 . 1 . . . . . . . . 6494 1 688 . 1 1 122 122 THR CB C 13 69.400 0.200 . 1 . . . . . . . . 6494 1 689 . 1 1 122 122 THR C C 13 174.400 0.200 . 1 . . . . . . . . 6494 1 690 . 1 1 123 123 LYS H H 1 8.270 0.010 . 1 . . . . . . . . 6494 1 691 . 1 1 123 123 LYS N N 15 124.100 0.050 . 1 . . . . . . . . 6494 1 692 . 1 1 123 123 LYS CA C 13 55.700 0.200 . 1 . . . . . . . . 6494 1 693 . 1 1 123 123 LYS CB C 13 32.100 0.200 . 1 . . . . . . . . 6494 1 694 . 1 1 123 123 LYS HA H 1 4.310 0.010 . 1 . . . . . . . . 6494 1 695 . 1 1 124 124 ASN H H 1 8.510 0.010 . 1 . . . . . . . . 6494 1 696 . 1 1 124 124 ASN N N 15 121.200 0.050 . 1 . . . . . . . . 6494 1 697 . 1 1 124 124 ASN CA C 13 53.000 0.200 . 1 . . . . . . . . 6494 1 698 . 1 1 124 124 ASN CB C 13 38.200 0.200 . 1 . . . . . . . . 6494 1 699 . 1 1 124 124 ASN C C 13 175.500 0.200 . 1 . . . . . . . . 6494 1 700 . 1 1 124 124 ASN HA H 1 4.760 0.010 . 1 . . . . . . . . 6494 1 701 . 1 1 125 125 THR H H 1 8.110 0.010 . 1 . . . . . . . . 6494 1 702 . 1 1 125 125 THR N N 15 115.100 0.050 . 1 . . . . . . . . 6494 1 703 . 1 1 125 125 THR CA C 13 69.100 0.200 . 1 . . . . . . . . 6494 1 704 . 1 1 125 125 THR CB C 13 61.600 0.200 . 1 . . . . . . . . 6494 1 705 . 1 1 125 125 THR C C 13 174.400 0.200 . 1 . . . . . . . . 6494 1 706 . 1 1 125 125 THR HA H 1 4.320 0.010 . 1 . . . . . . . . 6494 1 707 . 1 1 126 126 GLU H H 1 8.320 0.010 . 1 . . . . . . . . 6494 1 708 . 1 1 126 126 GLU N N 15 124.100 0.050 . 1 . . . . . . . . 6494 1 709 . 1 1 126 126 GLU CA C 13 55.900 0.200 . 1 . . . . . . . . 6494 1 710 . 1 1 126 126 GLU CB C 13 29.400 0.200 . 1 . . . . . . . . 6494 1 711 . 1 1 126 126 GLU C C 13 175.400 0.200 . 1 . . . . . . . . 6494 1 712 . 1 1 126 126 GLU HA H 1 4.290 0.010 . 1 . . . . . . . . 6494 1 713 . 1 1 127 127 LEU H H 1 7.800 0.010 . 1 . . . . . . . . 6494 1 714 . 1 1 127 127 LEU N N 15 128.900 0.050 . 1 . . . . . . . . 6494 1 715 . 1 1 127 127 LEU CA C 13 56.300 0.200 . 1 . . . . . . . . 6494 1 716 . 1 1 127 127 LEU CB C 13 42.200 0.200 . 1 . . . . . . . . 6494 1 717 . 1 1 127 127 LEU HA H 1 4.140 0.010 . 1 . . . . . . . . 6494 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_set_600 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_set_600 _Heteronucl_NOE_list.Entry_ID 6494 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID . . 1 $sample_1 . 6494 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 2 2 MET H . . . 1 1 2 2 MET N . . 0.312 0.009 . . . . . . . . . . 6494 1 2 . 1 1 3 3 ILE H . . . 1 1 3 3 ILE N . . 0.691 0.024 . . . . . . . . . . 6494 1 3 . 1 1 4 4 ARG H . . . 1 1 4 4 ARG N . . 0.718 0.027 . . . . . . . . . . 6494 1 4 . 1 1 5 5 GLY H . . . 1 1 5 5 GLY N . . 0.808 0.033 . . . . . . . . . . 6494 1 5 . 1 1 6 6 ILE H . . . 1 1 6 6 ILE N . . 0.779 0.023 . . . . . . . . . . 6494 1 6 . 1 1 7 7 ARG H . . . 1 1 7 7 ARG N . . 0.822 0.032 . . . . . . . . . . 6494 1 7 . 1 1 8 8 GLY H . . . 1 1 8 8 GLY N . . 0.753 0.022 . . . . . . . . . . 6494 1 8 . 1 1 9 9 ALA H . . . 1 1 9 9 ALA N . . 0.842 0.023 . . . . . . . . . . 6494 1 9 . 1 1 10 10 THR H . . . 1 1 10 10 THR N . . 0.867 0.020 . . . . . . . . . . 6494 1 10 . 1 1 11 11 THR H . . . 1 1 11 11 THR N . . 0.896 0.024 . . . . . . . . . . 6494 1 11 . 1 1 12 12 VAL H . . . 1 1 12 12 VAL N . . 0.817 0.026 . . . . . . . . . . 6494 1 12 . 1 1 13 13 GLU H . . . 1 1 13 13 GLU N . . 0.627 0.020 . . . . . . . . . . 6494 1 13 . 1 1 14 14 ARG H . . . 1 1 14 14 ARG N . . 0.583 0.012 . . . . . . . . . . 6494 1 14 . 1 1 15 15 ASP H . . . 1 1 15 15 ASP N . . 0.620 0.017 . . . . . . . . . . 6494 1 15 . 1 1 16 16 THR H . . . 1 1 16 16 THR N . . 0.832 0.013 . . . . . . . . . . 6494 1 16 . 1 1 17 17 GLU H . . . 1 1 17 17 GLU N . . 0.812 0.018 . . . . . . . . . . 6494 1 17 . 1 1 18 18 GLU H . . . 1 1 18 18 GLU N . . 0.783 0.011 . . . . . . . . . . 6494 1 18 . 1 1 19 19 GLU H . . . 1 1 19 19 GLU N . . 0.769 0.011 . . . . . . . . . . 6494 1 19 . 1 1 20 20 ILE H . . . 1 1 20 20 ILE N . . 0.883 0.016 . . . . . . . . . . 6494 1 20 . 1 1 21 21 LEU H . . . 1 1 21 21 LEU N . . 0.804 0.020 . . . . . . . . . . 6494 1 21 . 1 1 22 22 GLN H . . . 1 1 22 22 GLN N . . 0.749 0.012 . . . . . . . . . . 6494 1 22 . 1 1 23 23 LYS H . . . 1 1 23 23 LYS N . . 0.791 0.019 . . . . . . . . . . 6494 1 23 . 1 1 24 24 THR H . . . 1 1 24 24 THR N . . 0.780 0.016 . . . . . . . . . . 6494 1 24 . 1 1 25 25 LYS H . . . 1 1 25 25 LYS N . . 0.691 0.015 . . . . . . . . . . 6494 1 25 . 1 1 26 26 GLN H . . . 1 1 26 26 GLN N . . 0.805 0.018 . . . . . . . . . . 6494 1 26 . 1 1 27 27 LEU H . . . 1 1 27 27 LEU N . . 0.857 0.021 . . . . . . . . . . 6494 1 27 . 1 1 28 28 LEU H . . . 1 1 28 28 LEU N . . 0.865 0.017 . . . . . . . . . . 6494 1 28 . 1 1 29 29 GLU H . . . 1 1 29 29 GLU N . . 0.860 0.019 . . . . . . . . . . 6494 1 29 . 1 1 30 30 LYS H . . . 1 1 30 30 LYS N . . 0.815 0.013 . . . . . . . . . . 6494 1 30 . 1 1 31 31 ILE H . . . 1 1 31 31 ILE N . . 0.836 0.026 . . . . . . . . . . 6494 1 31 . 1 1 33 33 GLU H . . . 1 1 33 33 GLU N . . 0.844 0.015 . . . . . . . . . . 6494 1 32 . 1 1 34 34 GLU H . . . 1 1 34 34 GLU N . . 0.785 0.019 . . . . . . . . . . 6494 1 33 . 1 1 35 35 ASN H . . . 1 1 35 35 ASN N . . 0.766 0.020 . . . . . . . . . . 6494 1 34 . 1 1 36 36 HIS H . . . 1 1 36 36 HIS N . . 0.752 0.014 . . . . . . . . . . 6494 1 35 . 1 1 37 37 THR H . . . 1 1 37 37 THR N . . 0.729 0.012 . . . . . . . . . . 6494 1 36 . 1 1 38 38 LYS H . . . 1 1 38 38 LYS N . . 0.760 0.021 . . . . . . . . . . 6494 1 37 . 1 1 40 40 GLU H . . . 1 1 40 40 GLU N . . 0.790 0.015 . . . . . . . . . . 6494 1 38 . 1 1 41 41 ASP H . . . 1 1 41 41 ASP N . . 0.754 0.015 . . . . . . . . . . 6494 1 39 . 1 1 42 42 VAL H . . . 1 1 42 42 VAL N . . 0.783 0.016 . . . . . . . . . . 6494 1 40 . 1 1 43 43 VAL H . . . 1 1 43 43 VAL N . . 0.840 0.048 . . . . . . . . . . 6494 1 41 . 1 1 44 44 GLN H . . . 1 1 44 44 GLN N . . 0.751 0.024 . . . . . . . . . . 6494 1 42 . 1 1 45 45 MET H . . . 1 1 45 45 MET N . . 0.813 0.019 . . . . . . . . . . 6494 1 43 . 1 1 46 46 LEU H . . . 1 1 46 46 LEU N . . 0.751 0.027 . . . . . . . . . . 6494 1 44 . 1 1 48 48 SER H . . . 1 1 48 48 SER N . . 0.829 0.019 . . . . . . . . . . 6494 1 45 . 1 1 49 49 ALA H . . . 1 1 49 49 ALA N . . 0.815 0.017 . . . . . . . . . . 6494 1 46 . 1 1 50 50 THR H . . . 1 1 50 50 THR N . . 0.671 0.018 . . . . . . . . . . 6494 1 47 . 1 1 52 52 ASP H . . . 1 1 52 52 ASP N . . 0.792 0.014 . . . . . . . . . . 6494 1 48 . 1 1 53 53 LEU H . . . 1 1 53 53 LEU N . . 0.745 0.019 . . . . . . . . . . 6494 1 49 . 1 1 54 54 HIS H . . . 1 1 54 54 HIS N . . 0.834 0.035 . . . . . . . . . . 6494 1 50 . 1 1 55 55 ALA H . . . 1 1 55 55 ALA N . . 0.793 0.022 . . . . . . . . . . 6494 1 51 . 1 1 56 56 VAL H . . . 1 1 56 56 VAL N . . 0.804 0.012 . . . . . . . . . . 6494 1 52 . 1 1 57 57 PHE H . . . 1 1 57 57 PHE N . . 0.782 0.023 . . . . . . . . . . 6494 1 53 . 1 1 59 59 ALA H . . . 1 1 59 59 ALA N . . 0.821 0.068 . . . . . . . . . . 6494 1 54 . 1 1 60 60 LYS H . . . 1 1 60 60 LYS N . . 0.836 0.018 . . . . . . . . . . 6494 1 55 . 1 1 61 61 ALA H . . . 1 1 61 61 ALA N . . 0.801 0.012 . . . . . . . . . . 6494 1 56 . 1 1 62 62 VAL H . . . 1 1 62 62 VAL N . . 0.723 0.015 . . . . . . . . . . 6494 1 57 . 1 1 63 63 ARG H . . . 1 1 63 63 ARG N . . 0.676 0.015 . . . . . . . . . . 6494 1 58 . 1 1 64 64 GLU H . . . 1 1 64 64 GLU N . . 0.641 0.014 . . . . . . . . . . 6494 1 59 . 1 1 65 65 LEU H . . . 1 1 65 65 LEU N . . 0.644 0.011 . . . . . . . . . . 6494 1 60 . 1 1 66 66 SER H . . . 1 1 66 66 SER N . . 0.482 0.014 . . . . . . . . . . 6494 1 61 . 1 1 68 68 TRP H . . . 1 1 68 68 TRP N . . 0.757 0.017 . . . . . . . . . . 6494 1 62 . 1 1 69 69 GLN H . . . 1 1 69 69 GLN N . . 0.760 0.012 . . . . . . . . . . 6494 1 63 . 1 1 70 70 TYR H . . . 1 1 70 70 TYR N . . 0.783 0.018 . . . . . . . . . . 6494 1 64 . 1 1 71 71 VAL H . . . 1 1 71 71 VAL N . . 0.765 0.016 . . . . . . . . . . 6494 1 65 . 1 1 73 73 VAL H . . . 1 1 73 73 VAL N . . 0.730 0.023 . . . . . . . . . . 6494 1 66 . 1 1 74 74 THR H . . . 1 1 74 74 THR N . . 0.778 0.015 . . . . . . . . . . 6494 1 67 . 1 1 75 75 CYS H . . . 1 1 75 75 CYS N . . 0.979 0.041 . . . . . . . . . . 6494 1 68 . 1 1 76 76 MET H . . . 1 1 76 76 MET N . . 0.852 0.029 . . . . . . . . . . 6494 1 69 . 1 1 77 77 GLN H . . . 1 1 77 77 GLN N . . 0.679 0.020 . . . . . . . . . . 6494 1 70 . 1 1 78 78 GLU H . . . 1 1 78 78 GLU N . . 0.813 0.035 . . . . . . . . . . 6494 1 71 . 1 1 79 79 MET H . . . 1 1 79 79 MET N . . 0.747 0.042 . . . . . . . . . . 6494 1 72 . 1 1 80 80 ASP H . . . 1 1 80 80 ASP N . . 0.801 0.023 . . . . . . . . . . 6494 1 73 . 1 1 81 81 VAL H . . . 1 1 81 81 VAL N . . 0.699 0.020 . . . . . . . . . . 6494 1 74 . 1 1 82 82 THR H . . . 1 1 82 82 THR N . . 0.773 0.019 . . . . . . . . . . 6494 1 75 . 1 1 84 84 GLY H . . . 1 1 84 84 GLY N . . 0.750 0.011 . . . . . . . . . . 6494 1 76 . 1 1 86 86 LYS H . . . 1 1 86 86 LYS N . . 0.718 0.021 . . . . . . . . . . 6494 1 77 . 1 1 87 87 LYS H . . . 1 1 87 87 LYS N . . 0.790 0.035 . . . . . . . . . . 6494 1 78 . 1 1 88 88 CYS H . . . 1 1 88 88 CYS N . . 0.942 0.023 . . . . . . . . . . 6494 1 79 . 1 1 89 89 ILE H . . . 1 1 89 89 ILE N . . 0.808 0.026 . . . . . . . . . . 6494 1 80 . 1 1 90 90 ARG H . . . 1 1 90 90 ARG N . . 0.844 0.029 . . . . . . . . . . 6494 1 81 . 1 1 91 91 VAL H . . . 1 1 91 91 VAL N . . 0.697 0.027 . . . . . . . . . . 6494 1 82 . 1 1 92 92 MET H . . . 1 1 92 92 MET N . . 0.826 0.020 . . . . . . . . . . 6494 1 83 . 1 1 93 93 MET H . . . 1 1 93 93 MET N . . 0.835 0.023 . . . . . . . . . . 6494 1 84 . 1 1 94 94 THR H . . . 1 1 94 94 THR N . . 0.651 0.019 . . . . . . . . . . 6494 1 85 . 1 1 95 95 VAL H . . . 1 1 95 95 VAL N . . 0.847 0.021 . . . . . . . . . . 6494 1 86 . 1 1 96 96 GLN H . . . 1 1 96 96 GLN N . . 0.787 0.027 . . . . . . . . . . 6494 1 87 . 1 1 97 97 THR H . . . 1 1 97 97 THR N . . 0.777 0.021 . . . . . . . . . . 6494 1 88 . 1 1 98 98 ASP H . . . 1 1 98 98 ASP N . . 0.632 0.019 . . . . . . . . . . 6494 1 89 . 1 1 99 99 VAL H . . . 1 1 99 99 VAL N . . 0.770 0.022 . . . . . . . . . . 6494 1 90 . 1 1 101 101 GLN H . . . 1 1 101 101 GLN N . . 0.778 0.020 . . . . . . . . . . 6494 1 91 . 1 1 102 102 ASP H . . . 1 1 102 102 ASP N . . 0.811 0.012 . . . . . . . . . . 6494 1 92 . 1 1 103 103 GLN H . . . 1 1 103 103 GLN N . . 0.807 0.017 . . . . . . . . . . 6494 1 93 . 1 1 104 104 ILE H . . . 1 1 104 104 ILE N . . 0.750 0.037 . . . . . . . . . . 6494 1 94 . 1 1 105 105 ARG H . . . 1 1 105 105 ARG N . . 0.807 0.022 . . . . . . . . . . 6494 1 95 . 1 1 106 106 HIS H . . . 1 1 106 106 HIS N . . 0.724 0.017 . . . . . . . . . . 6494 1 96 . 1 1 107 107 VAL H . . . 1 1 107 107 VAL N . . 0.843 0.026 . . . . . . . . . . 6494 1 97 . 1 1 108 108 TYR H . . . 1 1 108 108 TYR N . . 0.849 0.019 . . . . . . . . . . 6494 1 98 . 1 1 109 109 LEU H . . . 1 1 109 109 LEU N . . 0.789 0.024 . . . . . . . . . . 6494 1 99 . 1 1 110 110 GLU H . . . 1 1 110 110 GLU N . . 0.746 0.020 . . . . . . . . . . 6494 1 100 . 1 1 112 112 ALA H . . . 1 1 112 112 ALA N . . 0.783 0.014 . . . . . . . . . . 6494 1 101 . 1 1 113 113 VAL H . . . 1 1 113 113 VAL N . . 0.745 0.018 . . . . . . . . . . 6494 1 102 . 1 1 114 114 VAL H . . . 1 1 114 114 VAL N . . 0.701 0.057 . . . . . . . . . . 6494 1 103 . 1 1 115 115 LEU H . . . 1 1 115 115 LEU N . . 0.758 0.017 . . . . . . . . . . 6494 1 104 . 1 1 116 116 ARG H . . . 1 1 116 116 ARG N . . 0.640 0.021 . . . . . . . . . . 6494 1 105 . 1 1 118 118 ASP H . . . 1 1 118 118 ASP N . . 0.351 0.009 . . . . . . . . . . 6494 1 106 . 1 1 119 119 LEU H . . . 1 1 119 119 LEU N . . 0.226 0.004 . . . . . . . . . . 6494 1 107 . 1 1 120 120 SER H . . . 1 1 120 120 SER N . . 0.246 0.005 . . . . . . . . . . 6494 1 108 . 1 1 121 121 LEU H . . . 1 1 121 121 LEU N . . 0.187 0.003 . . . . . . . . . . 6494 1 109 . 1 1 122 122 THR H . . . 1 1 122 122 THR N . . 0.087 0.003 . . . . . . . . . . 6494 1 110 . 1 1 123 123 LYS H . . . 1 1 123 123 LYS N . . -0.018 0.004 . . . . . . . . . . 6494 1 111 . 1 1 124 124 ASN H . . . 1 1 124 124 ASN N . . -0.075 0.010 . . . . . . . . . . 6494 1 112 . 1 1 125 125 THR H . . . 1 1 125 125 THR N . . -0.327 0.003 . . . . . . . . . . 6494 1 113 . 1 1 126 126 GLU H . . . 1 1 126 126 GLU N . . -0.430 0.002 . . . . . . . . . . 6494 1 114 . 1 1 127 127 LEU H . . . 1 1 127 127 LEU N . . -1.000 0.002 . . . . . . . . . . 6494 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_T1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1 _Heteronucl_T1_list.Entry_ID 6494 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID . . 1 $sample_1 . 6494 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 MET N . . 1.183 0.045 . . . . . 6494 1 2 . 1 1 3 3 ILE N . . 1.943 0.085 . . . . . 6494 1 3 . 1 1 4 4 ARG N . . 2.238 0.123 . . . . . 6494 1 4 . 1 1 5 5 GLY N . . 1.961 0.388 . . . . . 6494 1 5 . 1 1 6 6 ILE N . . 2.185 0.222 . . . . . 6494 1 6 . 1 1 7 7 ARG N . . 2.088 0.141 . . . . . 6494 1 7 . 1 1 8 8 GLY N . . 1.998 0.093 . . . . . 6494 1 8 . 1 1 9 9 ALA N . . 2.168 0.095 . . . . . 6494 1 9 . 1 1 10 10 THR N . . 2.227 0.043 . . . . . 6494 1 10 . 1 1 11 11 THR N . . 2.269 0.076 . . . . . 6494 1 11 . 1 1 12 12 VAL N . . 2.004 0.087 . . . . . 6494 1 12 . 1 1 13 13 GLU N . . 2.058 0.062 . . . . . 6494 1 13 . 1 1 14 14 ARG N . . 1.728 0.029 . . . . . 6494 1 14 . 1 1 15 15 ASP N . . 1.976 0.070 . . . . . 6494 1 15 . 1 1 16 16 THR N . . 2.223 0.060 . . . . . 6494 1 16 . 1 1 17 17 GLU N . . 2.157 0.060 . . . . . 6494 1 17 . 1 1 18 18 GLU N . . 2.050 0.038 . . . . . 6494 1 18 . 1 1 19 19 GLU N . . 2.002 0.046 . . . . . 6494 1 19 . 1 1 20 20 ILE N . . 2.237 0.045 . . . . . 6494 1 20 . 1 1 21 21 LEU N . . 2.016 0.049 . . . . . 6494 1 21 . 1 1 22 22 GLN N . . 2.059 0.016 . . . . . 6494 1 22 . 1 1 23 23 LYS N . . 1.993 0.023 . . . . . 6494 1 23 . 1 1 24 24 THR N . . 2.048 0.065 . . . . . 6494 1 24 . 1 1 25 25 LYS N . . 2.088 0.061 . . . . . 6494 1 25 . 1 1 26 26 GLN N . . 2.105 0.042 . . . . . 6494 1 26 . 1 1 27 27 LEU N . . 2.072 0.058 . . . . . 6494 1 27 . 1 1 28 28 LEU N . . 2.134 0.127 . . . . . 6494 1 28 . 1 1 29 29 GLU N . . 2.149 0.043 . . . . . 6494 1 29 . 1 1 30 30 LYS N . . 2.031 0.044 . . . . . 6494 1 30 . 1 1 31 31 ILE N . . 2.009 0.065 . . . . . 6494 1 31 . 1 1 32 32 ILE N . . 1.929 0.077 . . . . . 6494 1 32 . 1 1 33 33 GLU N . . 2.106 0.031 . . . . . 6494 1 33 . 1 1 34 34 GLU N . . 2.240 0.070 . . . . . 6494 1 34 . 1 1 35 35 ASN N . . 2.299 0.087 . . . . . 6494 1 35 . 1 1 36 36 HIS N . . 2.020 0.037 . . . . . 6494 1 36 . 1 1 37 37 THR N . . 2.287 0.025 . . . . . 6494 1 37 . 1 1 38 38 LYS N . . 2.245 0.035 . . . . . 6494 1 38 . 1 1 40 40 GLU N . . 2.203 0.048 . . . . . 6494 1 39 . 1 1 41 41 ASP N . . 2.389 0.059 . . . . . 6494 1 40 . 1 1 42 42 VAL N . . 2.224 0.050 . . . . . 6494 1 41 . 1 1 43 43 VAL N . . 2.224 0.107 . . . . . 6494 1 42 . 1 1 44 44 GLN N . . 2.254 0.090 . . . . . 6494 1 43 . 1 1 45 45 MET N . . 2.244 0.139 . . . . . 6494 1 44 . 1 1 46 46 LEU N . . 2.317 0.083 . . . . . 6494 1 45 . 1 1 48 48 SER N . . 2.313 0.116 . . . . . 6494 1 46 . 1 1 49 49 ALA N . . 2.296 0.213 . . . . . 6494 1 47 . 1 1 50 50 THR N . . 1.868 0.080 . . . . . 6494 1 48 . 1 1 52 52 ASP N . . 2.361 0.033 . . . . . 6494 1 49 . 1 1 53 53 LEU N . . 2.282 0.148 . . . . . 6494 1 50 . 1 1 54 54 HIS N . . 2.518 0.130 . . . . . 6494 1 51 . 1 1 55 55 ALA N . . 2.485 0.051 . . . . . 6494 1 52 . 1 1 56 56 VAL N . . 2.221 0.038 . . . . . 6494 1 53 . 1 1 57 57 PHE N . . 2.130 0.068 . . . . . 6494 1 54 . 1 1 59 59 ALA N . . 2.160 0.083 . . . . . 6494 1 55 . 1 1 60 60 LYS N . . 1.964 0.036 . . . . . 6494 1 56 . 1 1 61 61 ALA N . . 2.003 0.066 . . . . . 6494 1 57 . 1 1 62 62 VAL N . . 2.072 0.039 . . . . . 6494 1 58 . 1 1 63 63 ARG N . . 1.823 0.033 . . . . . 6494 1 59 . 1 1 64 64 GLU N . . 1.939 0.040 . . . . . 6494 1 60 . 1 1 65 65 LEU N . . 1.944 0.026 . . . . . 6494 1 61 . 1 1 66 66 SER N . . 2.224 0.131 . . . . . 6494 1 62 . 1 1 68 68 TRP N . . 2.011 0.057 . . . . . 6494 1 63 . 1 1 69 69 GLN N . . 2.032 0.033 . . . . . 6494 1 64 . 1 1 70 70 TYR N . . 2.066 0.113 . . . . . 6494 1 65 . 1 1 71 71 VAL N . . 2.314 0.057 . . . . . 6494 1 66 . 1 1 73 73 VAL N . . 2.284 0.122 . . . . . 6494 1 67 . 1 1 74 74 THR N . . 2.040 0.050 . . . . . 6494 1 68 . 1 1 75 75 CYS N . . 2.123 0.382 . . . . . 6494 1 69 . 1 1 76 76 MET N . . 1.917 0.191 . . . . . 6494 1 70 . 1 1 77 77 GLN N . . 2.115 0.042 . . . . . 6494 1 71 . 1 1 78 78 GLU N . . 1.912 0.199 . . . . . 6494 1 72 . 1 1 79 79 MET N . . 2.227 0.314 . . . . . 6494 1 73 . 1 1 80 80 ASP N . . 2.088 0.081 . . . . . 6494 1 74 . 1 1 81 81 VAL N . . 2.025 0.091 . . . . . 6494 1 75 . 1 1 82 82 THR N . . 2.079 0.123 . . . . . 6494 1 76 . 1 1 84 84 GLY N . . 1.953 0.043 . . . . . 6494 1 77 . 1 1 85 85 LEU N . . 2.131 0.088 . . . . . 6494 1 78 . 1 1 86 86 LYS N . . 2.114 0.053 . . . . . 6494 1 79 . 1 1 87 87 LYS N . . 2.087 0.094 . . . . . 6494 1 80 . 1 1 88 88 CYS N . . 2.215 0.073 . . . . . 6494 1 81 . 1 1 89 89 ILE N . . 2.341 0.192 . . . . . 6494 1 82 . 1 1 90 90 ARG N . . 2.291 0.151 . . . . . 6494 1 83 . 1 1 91 91 VAL N . . 2.055 0.060 . . . . . 6494 1 84 . 1 1 92 92 MET N . . 2.164 0.078 . . . . . 6494 1 85 . 1 1 93 93 MET N . . 2.319 0.110 . . . . . 6494 1 86 . 1 1 94 94 THR N . . 2.292 0.093 . . . . . 6494 1 87 . 1 1 95 95 VAL N . . 2.320 0.150 . . . . . 6494 1 88 . 1 1 96 96 GLN N . . 2.026 0.063 . . . . . 6494 1 89 . 1 1 97 97 THR N . . 2.124 0.061 . . . . . 6494 1 90 . 1 1 98 98 ASP N . . 2.166 0.080 . . . . . 6494 1 91 . 1 1 99 99 VAL N . . 2.159 0.049 . . . . . 6494 1 92 . 1 1 101 101 GLN N . . 2.127 0.094 . . . . . 6494 1 93 . 1 1 102 102 ASP N . . 2.099 0.051 . . . . . 6494 1 94 . 1 1 103 103 GLN N . . 2.242 0.074 . . . . . 6494 1 95 . 1 1 104 104 ILE N . . 2.214 0.105 . . . . . 6494 1 96 . 1 1 105 105 ARG N . . 2.163 0.061 . . . . . 6494 1 97 . 1 1 106 106 HIS N . . 2.367 0.088 . . . . . 6494 1 98 . 1 1 107 107 VAL N . . 2.189 0.083 . . . . . 6494 1 99 . 1 1 108 108 TYR N . . 2.292 0.082 . . . . . 6494 1 100 . 1 1 109 109 LEU N . . 2.172 0.188 . . . . . 6494 1 101 . 1 1 110 110 GLU N . . 2.231 0.084 . . . . . 6494 1 102 . 1 1 111 111 LYS N . . 1.811 0.158 . . . . . 6494 1 103 . 1 1 112 112 ALA N . . 2.182 0.055 . . . . . 6494 1 104 . 1 1 113 113 VAL N . . 1.960 0.027 . . . . . 6494 1 105 . 1 1 114 114 VAL N . . 1.707 0.099 . . . . . 6494 1 106 . 1 1 115 115 LEU N . . 1.864 0.135 . . . . . 6494 1 107 . 1 1 116 116 ARG N . . 1.796 0.070 . . . . . 6494 1 108 . 1 1 118 118 ASP N . . 1.247 0.038 . . . . . 6494 1 109 . 1 1 119 119 LEU N . . 0.824 0.009 . . . . . 6494 1 110 . 1 1 120 120 SER N . . 0.755 0.019 . . . . . 6494 1 111 . 1 1 121 121 LEU N . . 0.785 0.017 . . . . . 6494 1 112 . 1 1 122 122 THR N . . 0.675 0.017 . . . . . 6494 1 113 . 1 1 123 123 LYS N . . 0.667 0.027 . . . . . 6494 1 114 . 1 1 125 125 THR N . . 0.736 0.026 . . . . . 6494 1 115 . 1 1 126 126 GLU N . . 0.733 0.008 . . . . . 6494 1 116 . 1 1 127 127 LEU N . . 0.963 0.001 . . . . . 6494 1 stop_ save_ save_T1_900 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_900 _Heteronucl_T1_list.Entry_ID 6494 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 900 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID . . 1 $sample_1 . 6494 2 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 2 2 MET N . . 1.542 0.027 . . . . . 6494 2 2 . 1 1 3 3 ILE N . . 3.034 0.145 . . . . . 6494 2 3 . 1 1 4 4 ARG N . . 3.287 0.130 . . . . . 6494 2 4 . 1 1 5 5 GLY N . . 3.485 0.176 . . . . . 6494 2 5 . 1 1 6 6 ILE N . . 3.287 0.169 . . . . . 6494 2 6 . 1 1 7 7 ARG N . . 3.205 0.159 . . . . . 6494 2 7 . 1 1 8 8 GLY N . . 2.984 0.096 . . . . . 6494 2 8 . 1 1 9 9 ALA N . . 3.054 0.080 . . . . . 6494 2 9 . 1 1 10 10 THR N . . 3.351 0.087 . . . . . 6494 2 10 . 1 1 11 11 THR N . . 3.041 0.142 . . . . . 6494 2 11 . 1 1 12 12 VAL N . . 3.208 0.088 . . . . . 6494 2 12 . 1 1 13 13 GLU N . . 2.873 0.084 . . . . . 6494 2 13 . 1 1 14 14 ARG N . . 2.319 0.028 . . . . . 6494 2 14 . 1 1 15 15 ASP N . . 3.018 0.117 . . . . . 6494 2 15 . 1 1 16 16 THR N . . 3.264 0.075 . . . . . 6494 2 16 . 1 1 17 17 GLU N . . 2.869 0.070 . . . . . 6494 2 17 . 1 1 18 18 GLU N . . 2.946 0.044 . . . . . 6494 2 18 . 1 1 19 19 GLU N . . 2.883 0.097 . . . . . 6494 2 19 . 1 1 20 20 ILE N . . 2.988 0.136 . . . . . 6494 2 20 . 1 1 21 21 LEU N . . 2.840 0.089 . . . . . 6494 2 21 . 1 1 22 22 GLN N . . 2.955 0.065 . . . . . 6494 2 22 . 1 1 23 23 LYS N . . 2.967 0.086 . . . . . 6494 2 23 . 1 1 24 24 THR N . . 3.059 0.124 . . . . . 6494 2 24 . 1 1 25 25 LYS N . . 2.902 0.098 . . . . . 6494 2 25 . 1 1 26 26 GLN N . . 3.138 0.066 . . . . . 6494 2 26 . 1 1 27 27 LEU N . . 3.038 0.072 . . . . . 6494 2 27 . 1 1 28 28 LEU N . . 3.157 0.149 . . . . . 6494 2 28 . 1 1 29 29 GLU N . . 3.006 0.054 . . . . . 6494 2 29 . 1 1 30 30 LYS N . . 2.869 0.048 . . . . . 6494 2 30 . 1 1 31 31 ILE N . . 3.035 0.075 . . . . . 6494 2 31 . 1 1 32 32 ILE N . . 2.643 0.137 . . . . . 6494 2 32 . 1 1 33 33 GLU N . . 2.842 0.051 . . . . . 6494 2 33 . 1 1 34 34 GLU N . . 3.054 0.067 . . . . . 6494 2 34 . 1 1 35 35 ASN N . . 3.188 0.070 . . . . . 6494 2 35 . 1 1 36 36 HIS N . . 2.944 0.114 . . . . . 6494 2 36 . 1 1 37 37 THR N . . 3.052 0.047 . . . . . 6494 2 37 . 1 1 38 38 LYS N . . 3.214 0.093 . . . . . 6494 2 38 . 1 1 40 40 GLU N . . 3.181 0.076 . . . . . 6494 2 39 . 1 1 41 41 ASP N . . 3.026 0.066 . . . . . 6494 2 40 . 1 1 42 42 VAL N . . 2.963 0.073 . . . . . 6494 2 41 . 1 1 43 43 VAL N . . 3.167 0.266 . . . . . 6494 2 42 . 1 1 44 44 GLN N . . 3.393 0.115 . . . . . 6494 2 43 . 1 1 45 45 MET N . . 3.417 0.089 . . . . . 6494 2 44 . 1 1 46 46 LEU N . . 3.326 0.129 . . . . . 6494 2 45 . 1 1 47 47 LEU N . . 2.757 0.159 . . . . . 6494 2 46 . 1 1 48 48 SER N . . 3.159 0.089 . . . . . 6494 2 47 . 1 1 49 49 ALA N . . 3.004 0.163 . . . . . 6494 2 48 . 1 1 50 50 THR N . . 2.785 0.087 . . . . . 6494 2 49 . 1 1 52 52 ASP N . . 2.876 0.056 . . . . . 6494 2 50 . 1 1 53 53 LEU N . . 3.214 0.066 . . . . . 6494 2 51 . 1 1 54 54 HIS N . . 3.555 0.202 . . . . . 6494 2 52 . 1 1 55 55 ALA N . . 3.470 0.161 . . . . . 6494 2 53 . 1 1 56 56 VAL N . . 3.196 0.037 . . . . . 6494 2 54 . 1 1 57 57 PHE N . . 3.132 0.103 . . . . . 6494 2 55 . 1 1 59 59 ALA N . . 2.870 0.145 . . . . . 6494 2 56 . 1 1 60 60 LYS N . . 2.755 0.069 . . . . . 6494 2 57 . 1 1 61 61 ALA N . . 2.916 0.082 . . . . . 6494 2 58 . 1 1 62 62 VAL N . . 2.895 0.052 . . . . . 6494 2 59 . 1 1 63 63 ARG N . . 2.532 0.039 . . . . . 6494 2 60 . 1 1 64 64 GLU N . . 2.717 0.043 . . . . . 6494 2 61 . 1 1 65 65 LEU N . . 2.485 0.037 . . . . . 6494 2 62 . 1 1 66 66 SER N . . 2.709 0.083 . . . . . 6494 2 63 . 1 1 68 68 TRP N . . 2.968 0.063 . . . . . 6494 2 64 . 1 1 69 69 GLN N . . 2.945 0.071 . . . . . 6494 2 65 . 1 1 70 70 TYR N . . 2.908 0.092 . . . . . 6494 2 66 . 1 1 71 71 VAL N . . 3.232 0.078 . . . . . 6494 2 67 . 1 1 73 73 VAL N . . 3.117 0.206 . . . . . 6494 2 68 . 1 1 74 74 THR N . . 3.102 0.108 . . . . . 6494 2 69 . 1 1 75 75 CYS N . . 2.889 0.139 . . . . . 6494 2 70 . 1 1 76 76 MET N . . 3.091 0.200 . . . . . 6494 2 71 . 1 1 77 77 GLN N . . 2.610 0.059 . . . . . 6494 2 72 . 1 1 78 78 GLU N . . 2.973 0.207 . . . . . 6494 2 73 . 1 1 79 79 MET N . . 2.796 0.289 . . . . . 6494 2 74 . 1 1 80 80 ASP N . . 2.834 0.153 . . . . . 6494 2 75 . 1 1 81 81 VAL N . . 3.206 0.090 . . . . . 6494 2 76 . 1 1 82 82 THR N . . 3.163 0.113 . . . . . 6494 2 77 . 1 1 84 84 GLY N . . 2.801 0.059 . . . . . 6494 2 78 . 1 1 85 85 LEU N . . 2.736 0.083 . . . . . 6494 2 79 . 1 1 86 86 LYS N . . 2.643 0.055 . . . . . 6494 2 80 . 1 1 87 87 LYS N . . 3.065 0.175 . . . . . 6494 2 81 . 1 1 88 88 CYS N . . 3.052 0.105 . . . . . 6494 2 82 . 1 1 89 89 ILE N . . 3.212 0.108 . . . . . 6494 2 83 . 1 1 90 90 ARG N . . 3.184 0.122 . . . . . 6494 2 84 . 1 1 91 91 VAL N . . 3.384 0.160 . . . . . 6494 2 85 . 1 1 92 92 MET N . . 3.103 0.085 . . . . . 6494 2 86 . 1 1 93 93 MET N . . 3.348 0.125 . . . . . 6494 2 87 . 1 1 94 94 THR N . . 2.981 0.078 . . . . . 6494 2 88 . 1 1 95 95 VAL N . . 3.089 0.082 . . . . . 6494 2 89 . 1 1 96 96 GLN N . . 3.111 0.150 . . . . . 6494 2 90 . 1 1 97 97 THR N . . 3.001 0.097 . . . . . 6494 2 91 . 1 1 98 98 ASP N . . 2.853 0.096 . . . . . 6494 2 92 . 1 1 99 99 VAL N . . 3.214 0.114 . . . . . 6494 2 93 . 1 1 101 101 GLN N . . 2.939 0.099 . . . . . 6494 2 94 . 1 1 102 102 ASP N . . 2.908 0.056 . . . . . 6494 2 95 . 1 1 103 103 GLN N . . 3.272 0.075 . . . . . 6494 2 96 . 1 1 104 104 ILE N . . 3.140 0.098 . . . . . 6494 2 97 . 1 1 105 105 ARG N . . 3.380 0.089 . . . . . 6494 2 98 . 1 1 106 106 HIS N . . 3.531 0.073 . . . . . 6494 2 99 . 1 1 107 107 VAL N . . 3.277 0.103 . . . . . 6494 2 100 . 1 1 108 108 TYR N . . 3.085 0.065 . . . . . 6494 2 101 . 1 1 109 109 LEU N . . 3.302 0.107 . . . . . 6494 2 102 . 1 1 110 110 GLU N . . 3.156 0.099 . . . . . 6494 2 103 . 1 1 111 111 LYS N . . 2.780 0.335 . . . . . 6494 2 104 . 1 1 112 112 ALA N . . 2.979 0.094 . . . . . 6494 2 105 . 1 1 113 113 VAL N . . 2.820 0.051 . . . . . 6494 2 106 . 1 1 114 114 VAL N . . 2.747 0.176 . . . . . 6494 2 107 . 1 1 115 115 LEU N . . 2.752 0.163 . . . . . 6494 2 108 . 1 1 116 116 ARG N . . 2.268 0.065 . . . . . 6494 2 109 . 1 1 118 118 ASP N . . 1.376 0.039 . . . . . 6494 2 110 . 1 1 119 119 LEU N . . 0.963 0.019 . . . . . 6494 2 111 . 1 1 120 120 SER N . . 0.866 0.020 . . . . . 6494 2 112 . 1 1 121 121 LEU N . . 0.926 0.026 . . . . . 6494 2 113 . 1 1 122 122 THR N . . 0.817 0.008 . . . . . 6494 2 114 . 1 1 123 123 LYS N . . 0.736 0.012 . . . . . 6494 2 115 . 1 1 124 124 ASN N . . 0.987 0.053 . . . . . 6494 2 116 . 1 1 125 125 THR N . . 0.872 0.010 . . . . . 6494 2 117 . 1 1 126 126 GLU N . . 0.790 0.005 . . . . . 6494 2 118 . 1 1 127 127 LEU N . . 1.001 0.002 . . . . . 6494 2 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_15N_T2_set_600 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode 15N_T2_set_600 _Heteronucl_T2_list.Entry_ID 6494 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $conditions_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type Ny _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID . . 1 $sample_1 . 6494 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 MET N . . 0.0339 0.0017 . . . . . . . 6494 1 2 . 1 1 3 3 ILE N . . 0.0253 0.0030 . . . . . . . 6494 1 3 . 1 1 4 4 ARG N . . 0.0219 0.0014 . . . . . . . 6494 1 4 . 1 1 5 5 GLY N . . 0.0170 0.0051 . . . . . . . 6494 1 5 . 1 1 6 6 ILE N . . 0.0237 0.0017 . . . . . . . 6494 1 6 . 1 1 7 7 ARG N . . 0.0173 0.0013 . . . . . . . 6494 1 7 . 1 1 8 8 GLY N . . 0.0162 0.0014 . . . . . . . 6494 1 8 . 1 1 9 9 ALA N . . 0.0201 0.0008 . . . . . . . 6494 1 9 . 1 1 10 10 THR N . . 0.0238 0.0007 . . . . . . . 6494 1 10 . 1 1 11 11 THR N . . 0.0230 0.0011 . . . . . . . 6494 1 11 . 1 1 12 12 VAL N . . 0.0242 0.0011 . . . . . . . 6494 1 12 . 1 1 13 13 GLU N . . 0.0270 0.0006 . . . . . . . 6494 1 13 . 1 1 14 14 ARG N . . 0.0257 0.0007 . . . . . . . 6494 1 14 . 1 1 15 15 ASP N . . 0.0261 0.0008 . . . . . . . 6494 1 15 . 1 1 16 16 THR N . . 0.0239 0.0005 . . . . . . . 6494 1 16 . 1 1 17 17 GLU N . . 0.0258 0.0006 . . . . . . . 6494 1 17 . 1 1 18 18 GLU N . . 0.0252 0.0008 . . . . . . . 6494 1 18 . 1 1 19 19 GLU N . . 0.0214 0.0004 . . . . . . . 6494 1 19 . 1 1 20 20 ILE N . . 0.0221 0.0006 . . . . . . . 6494 1 20 . 1 1 21 21 LEU N . . 0.0222 0.0007 . . . . . . . 6494 1 21 . 1 1 22 22 GLN N . . 0.0236 0.0005 . . . . . . . 6494 1 22 . 1 1 23 23 LYS N . . 0.0227 0.0005 . . . . . . . 6494 1 23 . 1 1 24 24 THR N . . 0.0226 0.0012 . . . . . . . 6494 1 24 . 1 1 25 25 LYS N . . 0.0261 0.0009 . . . . . . . 6494 1 25 . 1 1 26 26 GLN N . . 0.0226 0.0011 . . . . . . . 6494 1 26 . 1 1 27 27 LEU N . . 0.0206 0.0003 . . . . . . . 6494 1 27 . 1 1 28 28 LEU N . . 0.0234 0.0014 . . . . . . . 6494 1 28 . 1 1 29 29 GLU N . . 0.0244 0.0009 . . . . . . . 6494 1 29 . 1 1 30 30 LYS N . . 0.0236 0.0007 . . . . . . . 6494 1 30 . 1 1 31 31 ILE N . . 0.0230 0.0011 . . . . . . . 6494 1 31 . 1 1 32 32 ILE N . . 0.0228 0.0010 . . . . . . . 6494 1 32 . 1 1 33 33 GLU N . . 0.0229 0.0004 . . . . . . . 6494 1 33 . 1 1 34 34 GLU N . . 0.0245 0.0010 . . . . . . . 6494 1 34 . 1 1 35 35 ASN N . . 0.0236 0.0011 . . . . . . . 6494 1 35 . 1 1 36 36 HIS N . . 0.0239 0.0016 . . . . . . . 6494 1 36 . 1 1 37 37 THR N . . 0.0246 0.0006 . . . . . . . 6494 1 37 . 1 1 38 38 LYS N . . 0.0255 0.0014 . . . . . . . 6494 1 38 . 1 1 40 40 GLU N . . 0.0236 0.0008 . . . . . . . 6494 1 39 . 1 1 41 41 ASP N . . 0.0201 0.0003 . . . . . . . 6494 1 40 . 1 1 42 42 VAL N . . 0.0216 0.0011 . . . . . . . 6494 1 41 . 1 1 43 43 VAL N . . 0.0203 0.0011 . . . . . . . 6494 1 42 . 1 1 44 44 GLN N . . 0.0196 0.0011 . . . . . . . 6494 1 43 . 1 1 45 45 MET N . . 0.0229 0.0007 . . . . . . . 6494 1 44 . 1 1 46 46 LEU N . . 0.0213 0.0020 . . . . . . . 6494 1 45 . 1 1 48 48 SER N . . 0.0238 0.0007 . . . . . . . 6494 1 46 . 1 1 49 49 ALA N . . 0.0189 0.0008 . . . . . . . 6494 1 47 . 1 1 50 50 THR N . . 0.0246 0.0022 . . . . . . . 6494 1 48 . 1 1 52 52 ASP N . . 0.0219 0.0013 . . . . . . . 6494 1 49 . 1 1 53 53 LEU N . . 0.0247 0.0008 . . . . . . . 6494 1 50 . 1 1 54 54 HIS N . . 0.0272 0.0014 . . . . . . . 6494 1 51 . 1 1 55 55 ALA N . . 0.0236 0.0007 . . . . . . . 6494 1 52 . 1 1 56 56 VAL N . . 0.0220 0.0007 . . . . . . . 6494 1 53 . 1 1 57 57 PHE N . . 0.0198 0.0008 . . . . . . . 6494 1 54 . 1 1 59 59 ALA N . . 0.0194 0.0013 . . . . . . . 6494 1 55 . 1 1 60 60 LYS N . . 0.0185 0.0013 . . . . . . . 6494 1 56 . 1 1 61 61 ALA N . . 0.0218 0.0010 . . . . . . . 6494 1 57 . 1 1 62 62 VAL N . . 0.0219 0.0009 . . . . . . . 6494 1 58 . 1 1 63 63 ARG N . . 0.0213 0.0003 . . . . . . . 6494 1 59 . 1 1 64 64 GLU N . . 0.0247 0.0009 . . . . . . . 6494 1 60 . 1 1 65 65 LEU N . . 0.0230 0.0012 . . . . . . . 6494 1 61 . 1 1 66 66 SER N . . 0.0278 0.0009 . . . . . . . 6494 1 62 . 1 1 68 68 TRP N . . 0.0249 0.0011 . . . . . . . 6494 1 63 . 1 1 69 69 GLN N . . 0.0231 0.0005 . . . . . . . 6494 1 64 . 1 1 70 70 TYR N . . 0.0214 0.0008 . . . . . . . 6494 1 65 . 1 1 71 71 VAL N . . 0.0214 0.0015 . . . . . . . 6494 1 66 . 1 1 73 73 VAL N . . 0.0187 0.0010 . . . . . . . 6494 1 67 . 1 1 74 74 THR N . . 0.0211 0.0007 . . . . . . . 6494 1 68 . 1 1 75 75 CYS N . . 0.0168 0.0032 . . . . . . . 6494 1 69 . 1 1 76 76 MET N . . 0.0266 0.0023 . . . . . . . 6494 1 70 . 1 1 77 77 GLN N . . 0.0225 0.0021 . . . . . . . 6494 1 71 . 1 1 78 78 GLU N . . 0.0161 0.0043 . . . . . . . 6494 1 72 . 1 1 79 79 MET N . . 0.0205 0.0026 . . . . . . . 6494 1 73 . 1 1 80 80 ASP N . . 0.0254 0.0009 . . . . . . . 6494 1 74 . 1 1 81 81 VAL N . . 0.0250 0.0014 . . . . . . . 6494 1 75 . 1 1 82 82 THR N . . 0.0212 0.0008 . . . . . . . 6494 1 76 . 1 1 84 84 GLY N . . 0.0237 0.0009 . . . . . . . 6494 1 77 . 1 1 85 85 LEU N . . 0.0179 0.0016 . . . . . . . 6494 1 78 . 1 1 86 86 LYS N . . 0.0211 0.0009 . . . . . . . 6494 1 79 . 1 1 87 87 LYS N . . 0.0227 0.0010 . . . . . . . 6494 1 80 . 1 1 88 88 CYS N . . 0.0236 0.0009 . . . . . . . 6494 1 81 . 1 1 89 89 ILE N . . 0.0219 0.0018 . . . . . . . 6494 1 82 . 1 1 90 90 ARG N . . 0.0242 0.0012 . . . . . . . 6494 1 83 . 1 1 91 91 VAL N . . 0.0261 0.0010 . . . . . . . 6494 1 84 . 1 1 92 92 MET N . . 0.0218 0.0015 . . . . . . . 6494 1 85 . 1 1 93 93 MET N . . 0.0227 0.0011 . . . . . . . 6494 1 86 . 1 1 94 94 THR N . . 0.0245 0.0010 . . . . . . . 6494 1 87 . 1 1 95 95 VAL N . . 0.0228 0.0010 . . . . . . . 6494 1 88 . 1 1 96 96 GLN N . . 0.0219 0.0008 . . . . . . . 6494 1 89 . 1 1 97 97 THR N . . 0.0222 0.0011 . . . . . . . 6494 1 90 . 1 1 98 98 ASP N . . 0.0252 0.0014 . . . . . . . 6494 1 91 . 1 1 99 99 VAL N . . 0.0214 0.0009 . . . . . . . 6494 1 92 . 1 1 101 101 GLN N . . 0.0255 0.0010 . . . . . . . 6494 1 93 . 1 1 102 102 ASP N . . 0.0238 0.0003 . . . . . . . 6494 1 94 . 1 1 103 103 GLN N . . 0.0212 0.0008 . . . . . . . 6494 1 95 . 1 1 104 104 ILE N . . 0.0230 0.0025 . . . . . . . 6494 1 96 . 1 1 105 105 ARG N . . 0.0196 0.0008 . . . . . . . 6494 1 97 . 1 1 106 106 HIS N . . 0.0235 0.0016 . . . . . . . 6494 1 98 . 1 1 107 107 VAL N . . 0.0221 0.0015 . . . . . . . 6494 1 99 . 1 1 108 108 TYR N . . 0.0227 0.0009 . . . . . . . 6494 1 100 . 1 1 109 109 LEU N . . 0.0225 0.0009 . . . . . . . 6494 1 101 . 1 1 110 110 GLU N . . 0.0232 0.0009 . . . . . . . 6494 1 102 . 1 1 111 111 LYS N . . 0.0219 0.0024 . . . . . . . 6494 1 103 . 1 1 112 112 ALA N . . 0.0201 0.0010 . . . . . . . 6494 1 104 . 1 1 113 113 VAL N . . 0.0183 0.0008 . . . . . . . 6494 1 105 . 1 1 114 114 VAL N . . 0.0140 0.0009 . . . . . . . 6494 1 106 . 1 1 115 115 LEU N . . 0.0202 0.0011 . . . . . . . 6494 1 107 . 1 1 116 116 ARG N . . 0.0211 0.0011 . . . . . . . 6494 1 108 . 1 1 118 118 ASP N . . 0.0336 0.0016 . . . . . . . 6494 1 109 . 1 1 119 119 LEU N . . 0.0534 0.0013 . . . . . . . 6494 1 110 . 1 1 120 120 SER N . . 0.0634 0.0015 . . . . . . . 6494 1 111 . 1 1 121 121 LEU N . . 0.0745 0.0029 . . . . . . . 6494 1 112 . 1 1 122 122 THR N . . 0.0987 0.0062 . . . . . . . 6494 1 113 . 1 1 123 123 LYS N . . 0.1049 0.0043 . . . . . . . 6494 1 114 . 1 1 125 125 THR N . . 0.1291 0.0080 . . . . . . . 6494 1 115 . 1 1 126 126 GLU N . . 0.1623 0.0084 . . . . . . . 6494 1 116 . 1 1 127 127 LEU N . . 0.1550 0.0074 . . . . . . . 6494 1 stop_ save_ save_15N_T2_set_900 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode 15N_T2_set_900 _Heteronucl_T2_list.Entry_ID 6494 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $conditions_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 900 _Heteronucl_T2_list.T2_coherence_type Ny _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID . . 1 $sample_1 . 6494 2 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 2 2 MET N . . 0.0331 0.0008 . . . . . . . 6494 2 2 . 1 1 3 3 ILE N . . 0.0181 0.0014 . . . . . . . 6494 2 3 . 1 1 4 4 ARG N . . 0.0201 0.0007 . . . . . . . 6494 2 4 . 1 1 5 5 GLY N . . 0.0246 0.0015 . . . . . . . 6494 2 5 . 1 1 6 6 ILE N . . 0.0197 0.0007 . . . . . . . 6494 2 6 . 1 1 7 7 ARG N . . 0.0104 0.0007 . . . . . . . 6494 2 7 . 1 1 8 8 GLY N . . 0.0153 0.0027 . . . . . . . 6494 2 8 . 1 1 9 9 ALA N . . 0.0188 0.0007 . . . . . . . 6494 2 9 . 1 1 10 10 THR N . . 0.0212 0.0004 . . . . . . . 6494 2 10 . 1 1 11 11 THR N . . 0.0197 0.0008 . . . . . . . 6494 2 11 . 1 1 12 12 VAL N . . 0.0188 0.0006 . . . . . . . 6494 2 12 . 1 1 13 13 GLU N . . 0.0226 0.0006 . . . . . . . 6494 2 13 . 1 1 14 14 ARG N . . 0.0202 0.0008 . . . . . . . 6494 2 14 . 1 1 15 15 ASP N . . 0.0226 0.0006 . . . . . . . 6494 2 15 . 1 1 16 16 THR N . . 0.0182 0.0008 . . . . . . . 6494 2 16 . 1 1 17 17 GLU N . . 0.0212 0.0006 . . . . . . . 6494 2 17 . 1 1 18 18 GLU N . . 0.0213 0.0005 . . . . . . . 6494 2 18 . 1 1 19 19 GLU N . . 0.0164 0.0010 . . . . . . . 6494 2 19 . 1 1 20 20 ILE N . . 0.0202 0.0005 . . . . . . . 6494 2 20 . 1 1 21 21 LEU N . . 0.0208 0.0009 . . . . . . . 6494 2 21 . 1 1 22 22 GLN N . . 0.0209 0.0008 . . . . . . . 6494 2 22 . 1 1 23 23 LYS N . . 0.0201 0.0007 . . . . . . . 6494 2 23 . 1 1 24 24 THR N . . 0.0197 0.0010 . . . . . . . 6494 2 24 . 1 1 25 25 LYS N . . 0.0217 0.0006 . . . . . . . 6494 2 25 . 1 1 26 26 GLN N . . 0.0209 0.0007 . . . . . . . 6494 2 26 . 1 1 27 27 LEU N . . 0.0151 0.0009 . . . . . . . 6494 2 27 . 1 1 28 28 LEU N . . 0.0202 0.0005 . . . . . . . 6494 2 28 . 1 1 29 29 GLU N . . 0.0214 0.0008 . . . . . . . 6494 2 29 . 1 1 30 30 LYS N . . 0.0168 0.0006 . . . . . . . 6494 2 30 . 1 1 31 31 ILE N . . 0.0223 0.0012 . . . . . . . 6494 2 31 . 1 1 32 32 ILE N . . 0.0227 0.0010 . . . . . . . 6494 2 32 . 1 1 33 33 GLU N . . 0.0201 0.0007 . . . . . . . 6494 2 33 . 1 1 34 34 GLU N . . 0.0217 0.0009 . . . . . . . 6494 2 34 . 1 1 35 35 ASN N . . 0.0200 0.0015 . . . . . . . 6494 2 35 . 1 1 36 36 HIS N . . 0.0181 0.0006 . . . . . . . 6494 2 36 . 1 1 37 37 THR N . . 0.0184 0.0006 . . . . . . . 6494 2 37 . 1 1 38 38 LYS N . . 0.0228 0.0011 . . . . . . . 6494 2 38 . 1 1 40 40 GLU N . . 0.0192 0.0005 . . . . . . . 6494 2 39 . 1 1 41 41 ASP N . . 0.0161 0.0009 . . . . . . . 6494 2 40 . 1 1 42 42 VAL N . . 0.0161 0.0006 . . . . . . . 6494 2 41 . 1 1 43 43 VAL N . . 0.0208 0.0010 . . . . . . . 6494 2 42 . 1 1 44 44 GLN N . . 0.0144 0.0014 . . . . . . . 6494 2 43 . 1 1 45 45 MET N . . 0.0199 0.0006 . . . . . . . 6494 2 44 . 1 1 46 46 LEU N . . 0.0210 0.0011 . . . . . . . 6494 2 45 . 1 1 48 48 SER N . . 0.0195 0.0004 . . . . . . . 6494 2 46 . 1 1 49 49 ALA N . . 0.0166 0.0009 . . . . . . . 6494 2 47 . 1 1 50 50 THR N . . 0.0239 0.0011 . . . . . . . 6494 2 48 . 1 1 52 52 ASP N . . 0.0175 0.0007 . . . . . . . 6494 2 49 . 1 1 53 53 LEU N . . 0.0138 0.0004 . . . . . . . 6494 2 50 . 1 1 54 54 HIS N . . 0.0250 0.0006 . . . . . . . 6494 2 51 . 1 1 55 55 ALA N . . 0.0188 0.0012 . . . . . . . 6494 2 52 . 1 1 56 56 VAL N . . 0.0146 0.0002 . . . . . . . 6494 2 53 . 1 1 57 57 PHE N . . 0.0160 0.0012 . . . . . . . 6494 2 54 . 1 1 59 59 ALA N . . 0.0150 0.0008 . . . . . . . 6494 2 55 . 1 1 60 60 LYS N . . 0.0157 0.0011 . . . . . . . 6494 2 56 . 1 1 61 61 ALA N . . 0.0160 0.0006 . . . . . . . 6494 2 57 . 1 1 62 62 VAL N . . 0.0145 0.0012 . . . . . . . 6494 2 58 . 1 1 63 63 ARG N . . 0.0139 0.0006 . . . . . . . 6494 2 59 . 1 1 64 64 GLU N . . 0.0133 0.0012 . . . . . . . 6494 2 60 . 1 1 65 65 LEU N . . 0.0127 0.0008 . . . . . . . 6494 2 61 . 1 1 66 66 SER N . . 0.0243 0.0010 . . . . . . . 6494 2 62 . 1 1 68 68 TRP N . . 0.0196 0.0006 . . . . . . . 6494 2 63 . 1 1 69 69 GLN N . . 0.0193 0.0009 . . . . . . . 6494 2 64 . 1 1 70 70 TYR N . . 0.0199 0.0008 . . . . . . . 6494 2 65 . 1 1 71 71 VAL N . . 0.0138 0.0011 . . . . . . . 6494 2 66 . 1 1 73 73 VAL N . . 0.0199 0.0008 . . . . . . . 6494 2 67 . 1 1 74 74 THR N . . 0.0184 0.0006 . . . . . . . 6494 2 68 . 1 1 75 75 CYS N . . 0.0195 0.0010 . . . . . . . 6494 2 69 . 1 1 76 76 MET N . . 0.0164 0.0011 . . . . . . . 6494 2 70 . 1 1 77 77 GLN N . . 0.0234 0.0008 . . . . . . . 6494 2 71 . 1 1 78 78 GLU N . . 0.0152 0.0014 . . . . . . . 6494 2 72 . 1 1 79 79 MET N . . 0.0197 0.0024 . . . . . . . 6494 2 73 . 1 1 80 80 ASP N . . 0.0204 0.0005 . . . . . . . 6494 2 74 . 1 1 81 81 VAL N . . 0.0143 0.0014 . . . . . . . 6494 2 75 . 1 1 82 82 THR N . . 0.0196 0.0013 . . . . . . . 6494 2 76 . 1 1 84 84 GLY N . . 0.0199 0.0006 . . . . . . . 6494 2 77 . 1 1 85 85 LEU N . . 0.0192 0.0010 . . . . . . . 6494 2 78 . 1 1 86 86 LYS N . . 0.0203 0.0006 . . . . . . . 6494 2 79 . 1 1 87 87 LYS N . . 0.0190 0.0007 . . . . . . . 6494 2 80 . 1 1 88 88 CYS N . . 0.0222 0.0006 . . . . . . . 6494 2 81 . 1 1 89 89 ILE N . . 0.0218 0.0017 . . . . . . . 6494 2 82 . 1 1 90 90 ARG N . . 0.0203 0.0011 . . . . . . . 6494 2 83 . 1 1 91 91 VAL N . . 0.0192 0.0016 . . . . . . . 6494 2 84 . 1 1 92 92 MET N . . 0.0202 0.0007 . . . . . . . 6494 2 85 . 1 1 93 93 MET N . . 0.0187 0.0008 . . . . . . . 6494 2 86 . 1 1 94 94 THR N . . 0.0222 0.0006 . . . . . . . 6494 2 87 . 1 1 95 95 VAL N . . 0.0186 0.0010 . . . . . . . 6494 2 88 . 1 1 96 96 GLN N . . 0.0164 0.0004 . . . . . . . 6494 2 89 . 1 1 97 97 THR N . . 0.0200 0.0009 . . . . . . . 6494 2 90 . 1 1 98 98 ASP N . . 0.0216 0.0015 . . . . . . . 6494 2 91 . 1 1 99 99 VAL N . . 0.0189 0.0009 . . . . . . . 6494 2 92 . 1 1 101 101 GLN N . . 0.0196 0.0005 . . . . . . . 6494 2 93 . 1 1 102 102 ASP N . . 0.0210 0.0004 . . . . . . . 6494 2 94 . 1 1 103 103 GLN N . . 0.0176 0.0007 . . . . . . . 6494 2 95 . 1 1 104 104 ILE N . . 0.0162 0.0010 . . . . . . . 6494 2 96 . 1 1 105 105 ARG N . . 0.0182 0.0012 . . . . . . . 6494 2 97 . 1 1 106 106 HIS N . . 0.0166 0.0007 . . . . . . . 6494 2 98 . 1 1 107 107 VAL N . . 0.0166 0.0006 . . . . . . . 6494 2 99 . 1 1 108 108 TYR N . . 0.0204 0.0008 . . . . . . . 6494 2 100 . 1 1 109 109 LEU N . . 0.0201 0.0010 . . . . . . . 6494 2 101 . 1 1 110 110 GLU N . . 0.0192 0.0010 . . . . . . . 6494 2 102 . 1 1 111 111 LYS N . . 0.0201 0.0013 . . . . . . . 6494 2 103 . 1 1 112 112 ALA N . . 0.0179 0.0008 . . . . . . . 6494 2 104 . 1 1 113 113 VAL N . . 0.0124 0.0006 . . . . . . . 6494 2 105 . 1 1 114 114 VAL N . . 0.0120 0.0007 . . . . . . . 6494 2 106 . 1 1 115 115 LEU N . . 0.0150 0.0016 . . . . . . . 6494 2 107 . 1 1 116 116 ARG N . . 0.0129 0.0013 . . . . . . . 6494 2 108 . 1 1 118 118 ASP N . . 0.0308 0.0011 . . . . . . . 6494 2 109 . 1 1 119 119 LEU N . . 0.0520 0.0021 . . . . . . . 6494 2 110 . 1 1 120 120 SER N . . 0.0576 0.0014 . . . . . . . 6494 2 111 . 1 1 121 121 LEU N . . 0.0648 0.0023 . . . . . . . 6494 2 112 . 1 1 122 122 THR N . . 0.0792 0.0043 . . . . . . . 6494 2 113 . 1 1 123 123 LYS N . . 0.0942 0.0046 . . . . . . . 6494 2 114 . 1 1 125 125 THR N . . 0.1043 0.0059 . . . . . . . 6494 2 115 . 1 1 126 126 GLU N . . 0.1510 0.0096 . . . . . . . 6494 2 stop_ save_