data_6495 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6495 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments and relaxation data for Chorismate Mutase from Bacillus subtilis in complex with inhibitor ; _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 . . . 6495 2 Alexander Kienhofer . . . 6495 3 Donald Hilvert . . . 6495 4 Konstantin Pervushin . . . 6495 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6495 heteronucl_NOEs 1 6495 heteronucl_T1_relaxation 2 6495 heteronucl_T2_relaxation 2 6495 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 221 6495 '13C chemical shifts' 243 6495 '15N chemical shifts' 119 6495 'T1 relaxation values' 232 6495 'T2 relaxation values' 230 6495 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 name for residue 112 corrected in relaxation save frames' 6495 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6494 'BsCM protein in free form' 6495 BMRB 6496 'BsCM protein with prephenate' 6495 stop_ save_ ############### # Citations # ############### save_main_citation _Citation.Sf_category citations _Citation.Sf_framecode main_citation _Citation.Entry_ID 6495 _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 . . . 6495 1 2 Alexander Kienhofer . . . 6495 1 3 Donald Hilvert . . . 6495 1 4 Konstantin Pervushin . . . 6495 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6495 _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 6495 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 . . . . . 6495 1 2 'BsCM polypeptide_B' 1 $BsCM_polypeptide . . . native . . . . . 6495 1 3 'BsCM polypeptide_C' 1 $BsCM_polypeptide . . . native . . . . . 6495 1 4 TSA_A 2 $TSA . . . native . . . . . 6495 1 5 TSA_B 2 $TSA . . . native . . . . . 6495 1 6 TSA_C 2 $TSA . . . native . . . . . 6495 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'BsCM trimer' system 6495 1 'BsCM trimer' abbreviation 6495 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BsCM_polypeptide _Entity.Sf_category entity _Entity.Sf_framecode BsCM_polypeptide _Entity.Entry_ID 6495 _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 . . . . 6495 1 . . SP P19080 . 'RecName: Full=Chorismate mutase; Short=CM' . . . . . 100.00 127 99.21 99.21 3.30e-67 . . . . 6495 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 . . . . 6495 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 . . . . 6495 1 . . GB ABN13175 . 'chorismate mutase [Bacillus subtilis subsp. subtilis str. 168]' . . . . . 99.21 126 99.21 99.21 1.59e-66 . . . . 6495 1 . . REF NP_390150 . 'chorismate mutase [Bacillus subtilis subsp. subtilis str. 168]' . . . . . 100.00 127 99.21 99.21 3.30e-67 . . . . 6495 1 . . GB ABN05305 . 'chorismate mutase [Bacillus subtilis]' . . . . . 100.00 127 99.21 99.21 3.30e-67 . . . . 6495 1 . . GB ABN05308 . 'chorismate mutase [Bacillus subtilis]' . . . . . 100.00 127 99.21 99.21 3.30e-67 . . . . 6495 1 . . GB AAA20861 . 'AroH [Bacillus subtilis]' . . . . . 100.00 127 99.21 99.21 3.30e-67 . . . . 6495 1 . . GB AAA22249 . 'chorismate mutase (aroH) [Bacillus subtilis]' . . . . . 100.00 127 100.00 100.00 1.02e-67 . . . . 6495 1 . . DBJ BAI85767 . 'chorismate mutase [Bacillus subtilis subsp. natto BEST195]' . . . . . 100.00 127 100.00 100.00 1.02e-67 . . . . 6495 1 . . EMBL CAB14185 . 'chorismate mutase [Bacillus subtilis subsp. subtilis str. 168]' . . . . . 100.00 127 99.21 99.21 3.30e-67 . . . . 6495 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 . . . . 6495 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 . . . . 6495 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 . . . . 6495 1 . . PDB 1DBF . 'Chorismate Mutase From Bacillus Subtilis At 1.30 Angstrom' . . . . . 100.00 127 100.00 100.00 1.02e-67 . . . . 6495 1 . . BMRB 6494 . BsCM . . . . . 100.00 127 100.00 100.00 1.02e-67 . . . . 6495 1 . . BMRB 6496 . BsCM . . . . . 100.00 127 100.00 100.00 1.02e-67 . . . . 6495 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID BsCM common 6495 1 BsCM abbreviation 6495 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 . 6495 1 2 . MET . 6495 1 3 . ILE . 6495 1 4 . ARG . 6495 1 5 . GLY . 6495 1 6 . ILE . 6495 1 7 . ARG . 6495 1 8 . GLY . 6495 1 9 . ALA . 6495 1 10 . THR . 6495 1 11 . THR . 6495 1 12 . VAL . 6495 1 13 . GLU . 6495 1 14 . ARG . 6495 1 15 . ASP . 6495 1 16 . THR . 6495 1 17 . GLU . 6495 1 18 . GLU . 6495 1 19 . GLU . 6495 1 20 . ILE . 6495 1 21 . LEU . 6495 1 22 . GLN . 6495 1 23 . LYS . 6495 1 24 . THR . 6495 1 25 . LYS . 6495 1 26 . GLN . 6495 1 27 . LEU . 6495 1 28 . LEU . 6495 1 29 . GLU . 6495 1 30 . LYS . 6495 1 31 . ILE . 6495 1 32 . ILE . 6495 1 33 . GLU . 6495 1 34 . GLU . 6495 1 35 . ASN . 6495 1 36 . HIS . 6495 1 37 . THR . 6495 1 38 . LYS . 6495 1 39 . PRO . 6495 1 40 . GLU . 6495 1 41 . ASP . 6495 1 42 . VAL . 6495 1 43 . VAL . 6495 1 44 . GLN . 6495 1 45 . MET . 6495 1 46 . LEU . 6495 1 47 . LEU . 6495 1 48 . SER . 6495 1 49 . ALA . 6495 1 50 . THR . 6495 1 51 . PRO . 6495 1 52 . ASP . 6495 1 53 . LEU . 6495 1 54 . HIS . 6495 1 55 . ALA . 6495 1 56 . VAL . 6495 1 57 . PHE . 6495 1 58 . PRO . 6495 1 59 . ALA . 6495 1 60 . LYS . 6495 1 61 . ALA . 6495 1 62 . VAL . 6495 1 63 . ARG . 6495 1 64 . GLU . 6495 1 65 . LEU . 6495 1 66 . SER . 6495 1 67 . GLY . 6495 1 68 . TRP . 6495 1 69 . GLN . 6495 1 70 . TYR . 6495 1 71 . VAL . 6495 1 72 . PRO . 6495 1 73 . VAL . 6495 1 74 . THR . 6495 1 75 . CYS . 6495 1 76 . MET . 6495 1 77 . GLN . 6495 1 78 . GLU . 6495 1 79 . MET . 6495 1 80 . ASP . 6495 1 81 . VAL . 6495 1 82 . THR . 6495 1 83 . GLY . 6495 1 84 . GLY . 6495 1 85 . LEU . 6495 1 86 . LYS . 6495 1 87 . LYS . 6495 1 88 . CYS . 6495 1 89 . ILE . 6495 1 90 . ARG . 6495 1 91 . VAL . 6495 1 92 . MET . 6495 1 93 . MET . 6495 1 94 . THR . 6495 1 95 . VAL . 6495 1 96 . GLN . 6495 1 97 . THR . 6495 1 98 . ASP . 6495 1 99 . VAL . 6495 1 100 . PRO . 6495 1 101 . GLN . 6495 1 102 . ASP . 6495 1 103 . GLN . 6495 1 104 . ILE . 6495 1 105 . ARG . 6495 1 106 . HIS . 6495 1 107 . VAL . 6495 1 108 . TYR . 6495 1 109 . LEU . 6495 1 110 . GLU . 6495 1 111 . LYS . 6495 1 112 . ALA . 6495 1 113 . VAL . 6495 1 114 . VAL . 6495 1 115 . LEU . 6495 1 116 . ARG . 6495 1 117 . PRO . 6495 1 118 . ASP . 6495 1 119 . LEU . 6495 1 120 . SER . 6495 1 121 . LEU . 6495 1 122 . THR . 6495 1 123 . LYS . 6495 1 124 . ASN . 6495 1 125 . THR . 6495 1 126 . GLU . 6495 1 127 . LEU . 6495 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 6495 1 . MET 2 2 6495 1 . ILE 3 3 6495 1 . ARG 4 4 6495 1 . GLY 5 5 6495 1 . ILE 6 6 6495 1 . ARG 7 7 6495 1 . GLY 8 8 6495 1 . ALA 9 9 6495 1 . THR 10 10 6495 1 . THR 11 11 6495 1 . VAL 12 12 6495 1 . GLU 13 13 6495 1 . ARG 14 14 6495 1 . ASP 15 15 6495 1 . THR 16 16 6495 1 . GLU 17 17 6495 1 . GLU 18 18 6495 1 . GLU 19 19 6495 1 . ILE 20 20 6495 1 . LEU 21 21 6495 1 . GLN 22 22 6495 1 . LYS 23 23 6495 1 . THR 24 24 6495 1 . LYS 25 25 6495 1 . GLN 26 26 6495 1 . LEU 27 27 6495 1 . LEU 28 28 6495 1 . GLU 29 29 6495 1 . LYS 30 30 6495 1 . ILE 31 31 6495 1 . ILE 32 32 6495 1 . GLU 33 33 6495 1 . GLU 34 34 6495 1 . ASN 35 35 6495 1 . HIS 36 36 6495 1 . THR 37 37 6495 1 . LYS 38 38 6495 1 . PRO 39 39 6495 1 . GLU 40 40 6495 1 . ASP 41 41 6495 1 . VAL 42 42 6495 1 . VAL 43 43 6495 1 . GLN 44 44 6495 1 . MET 45 45 6495 1 . LEU 46 46 6495 1 . LEU 47 47 6495 1 . SER 48 48 6495 1 . ALA 49 49 6495 1 . THR 50 50 6495 1 . PRO 51 51 6495 1 . ASP 52 52 6495 1 . LEU 53 53 6495 1 . HIS 54 54 6495 1 . ALA 55 55 6495 1 . VAL 56 56 6495 1 . PHE 57 57 6495 1 . PRO 58 58 6495 1 . ALA 59 59 6495 1 . LYS 60 60 6495 1 . ALA 61 61 6495 1 . VAL 62 62 6495 1 . ARG 63 63 6495 1 . GLU 64 64 6495 1 . LEU 65 65 6495 1 . SER 66 66 6495 1 . GLY 67 67 6495 1 . TRP 68 68 6495 1 . GLN 69 69 6495 1 . TYR 70 70 6495 1 . VAL 71 71 6495 1 . PRO 72 72 6495 1 . VAL 73 73 6495 1 . THR 74 74 6495 1 . CYS 75 75 6495 1 . MET 76 76 6495 1 . GLN 77 77 6495 1 . GLU 78 78 6495 1 . MET 79 79 6495 1 . ASP 80 80 6495 1 . VAL 81 81 6495 1 . THR 82 82 6495 1 . GLY 83 83 6495 1 . GLY 84 84 6495 1 . LEU 85 85 6495 1 . LYS 86 86 6495 1 . LYS 87 87 6495 1 . CYS 88 88 6495 1 . ILE 89 89 6495 1 . ARG 90 90 6495 1 . VAL 91 91 6495 1 . MET 92 92 6495 1 . MET 93 93 6495 1 . THR 94 94 6495 1 . VAL 95 95 6495 1 . GLN 96 96 6495 1 . THR 97 97 6495 1 . ASP 98 98 6495 1 . VAL 99 99 6495 1 . PRO 100 100 6495 1 . GLN 101 101 6495 1 . ASP 102 102 6495 1 . GLN 103 103 6495 1 . ILE 104 104 6495 1 . ARG 105 105 6495 1 . HIS 106 106 6495 1 . VAL 107 107 6495 1 . TYR 108 108 6495 1 . LEU 109 109 6495 1 . GLU 110 110 6495 1 . LYS 111 111 6495 1 . ALA 112 112 6495 1 . VAL 113 113 6495 1 . VAL 114 114 6495 1 . LEU 115 115 6495 1 . ARG 116 116 6495 1 . PRO 117 117 6495 1 . ASP 118 118 6495 1 . LEU 119 119 6495 1 . SER 120 120 6495 1 . LEU 121 121 6495 1 . THR 122 122 6495 1 . LYS 123 123 6495 1 . ASN 124 124 6495 1 . THR 125 125 6495 1 . GLU 126 126 6495 1 . LEU 127 127 6495 1 stop_ save_ save_TSA _Entity.Sf_category entity _Entity.Sf_framecode TSA _Entity.Entry_ID 6495 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name . _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label $chem_comp_TSA _Entity.Number_of_monomers 1 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _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 . _Entity.DB_query_revised_last_date . 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 . TSA . 6495 2 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 . TSA 1 1 6495 2 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 6495 _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 . . . . . . . . . . . . . . . . . . . . . 6495 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 6495 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6495 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_TSA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_TSA _Chem_comp.Entry_ID 6495 _Chem_comp.ID TSA _Chem_comp.Provenance . _Chem_comp.Name . _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code . _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge . _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _Chem_comp.Formula . _Chem_comp.Formula_weight . _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING . . . . . . 6495 TSA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_BsCM_TSA _Sample.Sf_category sample _Sample.Sf_framecode 15N_BsCM_TSA _Sample.Entry_ID 6495 _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-95% 15N]' . . 1 $BsCM_polypeptide . . . . . mM . . . . 6495 1 2 . . . . 2 $TSA . . . . . mM . . . . 6495 1 stop_ save_ save_DL-BsCM _Sample.Sf_category sample _Sample.Sf_framecode DL-BsCM _Sample.Entry_ID 6495 _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-50% 2H; U-95% 13C; U-95% 15N]' . . 1 $BsCM_polypeptide . . . . . mM . . . . 6495 2 2 . . . . 2 $TSA . . . . . mM . . . . 6495 2 stop_ save_ save_15N_BsCM _Sample.Sf_category sample _Sample.Sf_framecode 15N_BsCM _Sample.Entry_ID 6495 _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 . . . . 6495 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 6495 _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 6495 1 temperature 293 0.1 K 6495 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer _NMR_spectrometer.Entry_ID 6495 _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 6495 _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 6495 _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-HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6495 1 2 NOESY-TROSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6495 1 3 TOCSY-TROSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6495 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 6495 _NMR_spec_expt.ID 1 _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_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6495 _NMR_spec_expt.ID 2 _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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6495 _NMR_spec_expt.ID 3 _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_ #################### # 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 6495 _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 . . . . . . . . . 6495 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6495 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6495 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 6495 _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-HNCA . . . 6495 1 2 NOESY-TROSY . . . 6495 1 3 TOCSY-TROSY . . . 6495 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 . . . . . . . . 6495 1 2 . 1 1 1 1 MET C C 13 172.700 0.200 . 1 . . . . . . . . 6495 1 3 . 1 1 1 1 MET HA H 1 3.900 0.010 . 1 . . . . . . . . 6495 1 4 . 1 1 2 2 MET H H 1 8.360 0.010 . 1 . . . . . . . . 6495 1 5 . 1 1 2 2 MET N N 15 125.600 0.050 . 1 . . . . . . . . 6495 1 6 . 1 1 2 2 MET CA C 13 54.100 0.200 . 1 . . . . . . . . 6495 1 7 . 1 1 2 2 MET C C 13 171.500 0.200 . 1 . . . . . . . . 6495 1 8 . 1 1 2 2 MET HA H 1 4.430 0.010 . 1 . . . . . . . . 6495 1 9 . 1 1 3 3 ILE H H 1 7.840 0.010 . 1 . . . . . . . . 6495 1 10 . 1 1 3 3 ILE N N 15 119.200 0.050 . 1 . . . . . . . . 6495 1 11 . 1 1 3 3 ILE CA C 13 57.000 0.200 . 1 . . . . . . . . 6495 1 12 . 1 1 3 3 ILE C C 13 173.900 0.200 . 1 . . . . . . . . 6495 1 13 . 1 1 3 3 ILE HA H 1 5.310 0.010 . 1 . . . . . . . . 6495 1 14 . 1 1 4 4 ARG H H 1 9.300 0.010 . 1 . . . . . . . . 6495 1 15 . 1 1 4 4 ARG N N 15 119.800 0.050 . 1 . . . . . . . . 6495 1 16 . 1 1 4 4 ARG CA C 13 54.700 0.200 . 1 . . . . . . . . 6495 1 17 . 1 1 4 4 ARG C C 13 175.400 0.200 . 1 . . . . . . . . 6495 1 18 . 1 1 4 4 ARG HA H 1 4.850 0.010 . 1 . . . . . . . . 6495 1 19 . 1 1 5 5 GLY H H 1 7.990 0.010 . 1 . . . . . . . . 6495 1 20 . 1 1 5 5 GLY N N 15 107.800 0.050 . 1 . . . . . . . . 6495 1 21 . 1 1 5 5 GLY CA C 13 44.300 0.200 . 1 . . . . . . . . 6495 1 22 . 1 1 5 5 GLY C C 13 171.600 0.200 . 1 . . . . . . . . 6495 1 23 . 1 1 5 5 GLY HA2 H 1 3.510 0.010 . 2 . . . . . . . . 6495 1 24 . 1 1 6 6 ILE H H 1 9.220 0.010 . 1 . . . . . . . . 6495 1 25 . 1 1 6 6 ILE N N 15 123.200 0.050 . 1 . . . . . . . . 6495 1 26 . 1 1 6 6 ILE CA C 13 61.400 0.200 . 1 . . . . . . . . 6495 1 27 . 1 1 6 6 ILE C C 13 176.100 0.200 . 1 . . . . . . . . 6495 1 28 . 1 1 6 6 ILE HA H 1 4.440 0.010 . 1 . . . . . . . . 6495 1 29 . 1 1 7 7 ARG H H 1 12.020 0.010 . 1 . . . . . . . . 6495 1 30 . 1 1 7 7 ARG N N 15 129.700 0.050 . 1 . . . . . . . . 6495 1 31 . 1 1 7 7 ARG CA C 13 51.400 0.200 . 1 . . . . . . . . 6495 1 32 . 1 1 7 7 ARG C C 13 177.000 0.200 . 1 . . . . . . . . 6495 1 33 . 1 1 7 7 ARG HA H 1 5.130 0.010 . 1 . . . . . . . . 6495 1 34 . 1 1 8 8 GLY H H 1 7.650 0.010 . 1 . . . . . . . . 6495 1 35 . 1 1 8 8 GLY N N 15 100.900 0.050 . 1 . . . . . . . . 6495 1 36 . 1 1 8 8 GLY CA C 13 44.500 0.200 . 1 . . . . . . . . 6495 1 37 . 1 1 8 8 GLY C C 13 173.800 0.200 . 1 . . . . . . . . 6495 1 38 . 1 1 8 8 GLY HA2 H 1 3.400 0.010 . 1 . . . . . . . . 6495 1 39 . 1 1 8 8 GLY HA3 H 1 4.930 0.010 . 1 . . . . . . . . 6495 1 40 . 1 1 9 9 ALA H H 1 8.450 0.010 . 1 . . . . . . . . 6495 1 41 . 1 1 9 9 ALA N N 15 124.800 0.050 . 1 . . . . . . . . 6495 1 42 . 1 1 9 9 ALA CA C 13 51.800 0.200 . 1 . . . . . . . . 6495 1 43 . 1 1 9 9 ALA C C 13 173.200 0.200 . 1 . . . . . . . . 6495 1 44 . 1 1 9 9 ALA HA H 1 5.310 0.010 . 1 . . . . . . . . 6495 1 45 . 1 1 10 10 THR H H 1 9.210 0.010 . 1 . . . . . . . . 6495 1 46 . 1 1 10 10 THR N N 15 115.900 0.050 . 1 . . . . . . . . 6495 1 47 . 1 1 10 10 THR CA C 13 58.900 0.200 . 1 . . . . . . . . 6495 1 48 . 1 1 10 10 THR C C 13 171.900 0.200 . 1 . . . . . . . . 6495 1 49 . 1 1 10 10 THR HA H 1 5.000 0.010 . 1 . . . . . . . . 6495 1 50 . 1 1 11 11 THR H H 1 8.090 0.010 . 1 . . . . . . . . 6495 1 51 . 1 1 11 11 THR N N 15 112.800 0.050 . 1 . . . . . . . . 6495 1 52 . 1 1 11 11 THR CA C 13 59.500 0.200 . 1 . . . . . . . . 6495 1 53 . 1 1 11 11 THR C C 13 173.100 0.200 . 1 . . . . . . . . 6495 1 54 . 1 1 11 11 THR HA H 1 5.720 0.010 . 1 . . . . . . . . 6495 1 55 . 1 1 12 12 VAL H H 1 8.100 0.010 . 1 . . . . . . . . 6495 1 56 . 1 1 12 12 VAL N N 15 109.600 0.050 . 1 . . . . . . . . 6495 1 57 . 1 1 12 12 VAL CA C 13 57.600 0.200 . 1 . . . . . . . . 6495 1 58 . 1 1 12 12 VAL C C 13 175.900 0.200 . 1 . . . . . . . . 6495 1 59 . 1 1 12 12 VAL HA H 1 4.750 0.010 . 1 . . . . . . . . 6495 1 60 . 1 1 13 13 GLU H H 1 9.660 0.010 . 1 . . . . . . . . 6495 1 61 . 1 1 13 13 GLU N N 15 120.500 0.050 . 1 . . . . . . . . 6495 1 62 . 1 1 13 13 GLU CA C 13 56.700 0.200 . 1 . . . . . . . . 6495 1 63 . 1 1 13 13 GLU C C 13 177.800 0.200 . 1 . . . . . . . . 6495 1 64 . 1 1 13 13 GLU HA H 1 4.200 0.010 . 1 . . . . . . . . 6495 1 65 . 1 1 14 14 ARG H H 1 7.700 0.010 . 1 . . . . . . . . 6495 1 66 . 1 1 14 14 ARG N N 15 116.500 0.050 . 1 . . . . . . . . 6495 1 67 . 1 1 14 14 ARG CA C 13 53.500 0.200 . 1 . . . . . . . . 6495 1 68 . 1 1 14 14 ARG C C 13 172.400 0.200 . 1 . . . . . . . . 6495 1 69 . 1 1 14 14 ARG HA H 1 4.430 0.010 . 1 . . . . . . . . 6495 1 70 . 1 1 15 15 ASP H H 1 8.510 0.010 . 1 . . . . . . . . 6495 1 71 . 1 1 15 15 ASP N N 15 119.600 0.050 . 1 . . . . . . . . 6495 1 72 . 1 1 15 15 ASP CA C 13 51.800 0.200 . 1 . . . . . . . . 6495 1 73 . 1 1 15 15 ASP C C 13 174.900 0.200 . 1 . . . . . . . . 6495 1 74 . 1 1 15 15 ASP HA H 1 4.690 0.010 . 1 . . . . . . . . 6495 1 75 . 1 1 16 16 THR H H 1 7.530 0.010 . 1 . . . . . . . . 6495 1 76 . 1 1 16 16 THR N N 15 113.400 0.050 . 1 . . . . . . . . 6495 1 77 . 1 1 16 16 THR CA C 13 57.800 0.200 . 1 . . . . . . . . 6495 1 78 . 1 1 16 16 THR C C 13 173.200 0.200 . 1 . . . . . . . . 6495 1 79 . 1 1 16 16 THR HA H 1 4.520 0.010 . 1 . . . . . . . . 6495 1 80 . 1 1 17 17 GLU H H 1 9.130 0.010 . 1 . . . . . . . . 6495 1 81 . 1 1 17 17 GLU N N 15 124.900 0.050 . 1 . . . . . . . . 6495 1 82 . 1 1 17 17 GLU CA C 13 58.800 0.200 . 1 . . . . . . . . 6495 1 83 . 1 1 17 17 GLU C C 13 177.400 0.200 . 1 . . . . . . . . 6495 1 84 . 1 1 17 17 GLU HA H 1 4.460 0.010 . 1 . . . . . . . . 6495 1 85 . 1 1 18 18 GLU H H 1 8.790 0.010 . 1 . . . . . . . . 6495 1 86 . 1 1 18 18 GLU N N 15 116.300 0.050 . 1 . . . . . . . . 6495 1 87 . 1 1 18 18 GLU CA C 13 59.300 0.200 . 1 . . . . . . . . 6495 1 88 . 1 1 18 18 GLU C C 13 179.500 0.200 . 1 . . . . . . . . 6495 1 89 . 1 1 18 18 GLU HA H 1 3.940 0.010 . 1 . . . . . . . . 6495 1 90 . 1 1 19 19 GLU H H 1 7.530 0.010 . 1 . . . . . . . . 6495 1 91 . 1 1 19 19 GLU N N 15 119.300 0.050 . 1 . . . . . . . . 6495 1 92 . 1 1 19 19 GLU CA C 13 59.100 0.200 . 1 . . . . . . . . 6495 1 93 . 1 1 19 19 GLU C C 13 179.300 0.200 . 1 . . . . . . . . 6495 1 94 . 1 1 19 19 GLU HA H 1 4.160 0.010 . 1 . . . . . . . . 6495 1 95 . 1 1 20 20 ILE H H 1 8.160 0.010 . 1 . . . . . . . . 6495 1 96 . 1 1 20 20 ILE N N 15 118.200 0.050 . 1 . . . . . . . . 6495 1 97 . 1 1 20 20 ILE CA C 13 65.700 0.200 . 1 . . . . . . . . 6495 1 98 . 1 1 20 20 ILE HA H 1 3.510 0.010 . 1 . . . . . . . . 6495 1 99 . 1 1 21 21 LEU H H 1 8.630 0.010 . 1 . . . . . . . . 6495 1 100 . 1 1 21 21 LEU N N 15 120.100 0.050 . 1 . . . . . . . . 6495 1 101 . 1 1 21 21 LEU CA C 13 58.100 0.200 . 1 . . . . . . . . 6495 1 102 . 1 1 21 21 LEU C C 13 179.500 0.200 . 1 . . . . . . . . 6495 1 103 . 1 1 21 21 LEU HA H 1 3.940 0.010 . 1 . . . . . . . . 6495 1 104 . 1 1 22 22 GLN H H 1 8.030 0.010 . 1 . . . . . . . . 6495 1 105 . 1 1 22 22 GLN N N 15 119.400 0.050 . 1 . . . . . . . . 6495 1 106 . 1 1 22 22 GLN CA C 13 58.900 0.200 . 1 . . . . . . . . 6495 1 107 . 1 1 22 22 GLN C C 13 180.100 0.200 . 1 . . . . . . . . 6495 1 108 . 1 1 22 22 GLN HA H 1 3.980 0.010 . 1 . . . . . . . . 6495 1 109 . 1 1 23 23 LYS H H 1 8.640 0.010 . 1 . . . . . . . . 6495 1 110 . 1 1 23 23 LYS N N 15 117.700 0.050 . 1 . . . . . . . . 6495 1 111 . 1 1 23 23 LYS CA C 13 57.300 0.200 . 1 . . . . . . . . 6495 1 112 . 1 1 23 23 LYS C C 13 182.200 0.200 . 1 . . . . . . . . 6495 1 113 . 1 1 23 23 LYS HA H 1 4.110 0.010 . 1 . . . . . . . . 6495 1 114 . 1 1 24 24 THR H H 1 8.170 0.010 . 1 . . . . . . . . 6495 1 115 . 1 1 24 24 THR N N 15 119.300 0.050 . 1 . . . . . . . . 6495 1 116 . 1 1 24 24 THR CA C 13 68.300 0.200 . 1 . . . . . . . . 6495 1 117 . 1 1 24 24 THR C C 13 175.300 0.200 . 1 . . . . . . . . 6495 1 118 . 1 1 24 24 THR HA H 1 3.520 0.010 . 1 . . . . . . . . 6495 1 119 . 1 1 25 25 LYS H H 1 8.280 0.010 . 1 . . . . . . . . 6495 1 120 . 1 1 25 25 LYS N N 15 122.900 0.050 . 1 . . . . . . . . 6495 1 121 . 1 1 25 25 LYS CA C 13 60.500 0.200 . 1 . . . . . . . . 6495 1 122 . 1 1 25 25 LYS C C 13 177.700 0.200 . 1 . . . . . . . . 6495 1 123 . 1 1 25 25 LYS HA H 1 3.490 0.010 . 1 . . . . . . . . 6495 1 124 . 1 1 26 26 GLN H H 1 7.950 0.010 . 1 . . . . . . . . 6495 1 125 . 1 1 26 26 GLN N N 15 116.200 0.050 . 1 . . . . . . . . 6495 1 126 . 1 1 26 26 GLN CA C 13 58.300 0.200 . 1 . . . . . . . . 6495 1 127 . 1 1 26 26 GLN C C 13 179.300 0.200 . 1 . . . . . . . . 6495 1 128 . 1 1 26 26 GLN HA H 1 4.070 0.010 . 1 . . . . . . . . 6495 1 129 . 1 1 27 27 LEU H H 1 7.530 0.010 . 1 . . . . . . . . 6495 1 130 . 1 1 27 27 LEU N N 15 121.300 0.050 . 1 . . . . . . . . 6495 1 131 . 1 1 27 27 LEU CA C 13 57.400 0.200 . 1 . . . . . . . . 6495 1 132 . 1 1 27 27 LEU C C 13 177.800 0.200 . 1 . . . . . . . . 6495 1 133 . 1 1 27 27 LEU HA H 1 4.090 0.010 . 1 . . . . . . . . 6495 1 134 . 1 1 28 28 LEU H H 1 8.210 0.010 . 1 . . . . . . . . 6495 1 135 . 1 1 28 28 LEU N N 15 118.300 0.050 . 1 . . . . . . . . 6495 1 136 . 1 1 28 28 LEU CA C 13 57.300 0.200 . 1 . . . . . . . . 6495 1 137 . 1 1 28 28 LEU C C 13 179.000 0.200 . 1 . . . . . . . . 6495 1 138 . 1 1 28 28 LEU HA H 1 3.680 0.010 . 1 . . . . . . . . 6495 1 139 . 1 1 29 29 GLU H H 1 8.790 0.010 . 1 . . . . . . . . 6495 1 140 . 1 1 29 29 GLU N N 15 116.300 0.050 . 1 . . . . . . . . 6495 1 141 . 1 1 29 29 GLU CA C 13 59.500 0.200 . 1 . . . . . . . . 6495 1 142 . 1 1 29 29 GLU C C 13 180.200 0.200 . 1 . . . . . . . . 6495 1 143 . 1 1 29 29 GLU HA H 1 3.690 0.010 . 1 . . . . . . . . 6495 1 144 . 1 1 30 30 LYS H H 1 7.750 0.010 . 1 . . . . . . . . 6495 1 145 . 1 1 30 30 LYS N N 15 121.300 0.050 . 1 . . . . . . . . 6495 1 146 . 1 1 30 30 LYS CA C 13 57.200 0.200 . 1 . . . . . . . . 6495 1 147 . 1 1 30 30 LYS C C 13 178.800 0.200 . 1 . . . . . . . . 6495 1 148 . 1 1 30 30 LYS HA H 1 4.320 0.010 . 1 . . . . . . . . 6495 1 149 . 1 1 31 31 ILE H H 1 8.250 0.010 . 1 . . . . . . . . 6495 1 150 . 1 1 31 31 ILE N N 15 120.500 0.050 . 1 . . . . . . . . 6495 1 151 . 1 1 31 31 ILE CA C 13 66.500 0.200 . 1 . . . . . . . . 6495 1 152 . 1 1 31 31 ILE C C 13 179.600 0.200 . 1 . . . . . . . . 6495 1 153 . 1 1 31 31 ILE HA H 1 3.400 0.010 . 1 . . . . . . . . 6495 1 154 . 1 1 32 32 ILE H H 1 8.520 0.010 . 1 . . . . . . . . 6495 1 155 . 1 1 32 32 ILE N N 15 120.900 0.050 . 1 . . . . . . . . 6495 1 156 . 1 1 32 32 ILE CA C 13 64.900 0.200 . 1 . . . . . . . . 6495 1 157 . 1 1 32 32 ILE C C 13 179.200 0.200 . 1 . . . . . . . . 6495 1 158 . 1 1 32 32 ILE HA H 1 3.700 0.010 . 1 . . . . . . . . 6495 1 159 . 1 1 33 33 GLU H H 1 8.150 0.010 . 1 . . . . . . . . 6495 1 160 . 1 1 33 33 GLU N N 15 121.100 0.050 . 1 . . . . . . . . 6495 1 161 . 1 1 33 33 GLU CA C 13 58.400 0.200 . 1 . . . . . . . . 6495 1 162 . 1 1 33 33 GLU C C 13 180.300 0.200 . 1 . . . . . . . . 6495 1 163 . 1 1 33 33 GLU HA H 1 4.040 0.010 . 1 . . . . . . . . 6495 1 164 . 1 1 34 34 GLU H H 1 8.330 0.010 . 1 . . . . . . . . 6495 1 165 . 1 1 34 34 GLU N N 15 115.500 0.050 . 1 . . . . . . . . 6495 1 166 . 1 1 34 34 GLU CA C 13 57.800 0.200 . 1 . . . . . . . . 6495 1 167 . 1 1 34 34 GLU C C 13 177.900 0.200 . 1 . . . . . . . . 6495 1 168 . 1 1 34 34 GLU HA H 1 4.050 0.010 . 1 . . . . . . . . 6495 1 169 . 1 1 35 35 ASN H H 1 7.760 0.010 . 1 . . . . . . . . 6495 1 170 . 1 1 35 35 ASN N N 15 112.400 0.050 . 1 . . . . . . . . 6495 1 171 . 1 1 35 35 ASN CA C 13 53.100 0.200 . 1 . . . . . . . . 6495 1 172 . 1 1 35 35 ASN C C 13 173.300 0.200 . 1 . . . . . . . . 6495 1 173 . 1 1 35 35 ASN HA H 1 4.040 0.010 . 1 . . . . . . . . 6495 1 174 . 1 1 36 36 HIS H H 1 7.790 0.010 . 1 . . . . . . . . 6495 1 175 . 1 1 36 36 HIS N N 15 119.700 0.050 . 1 . . . . . . . . 6495 1 176 . 1 1 36 36 HIS CA C 13 56.100 0.200 . 1 . . . . . . . . 6495 1 177 . 1 1 36 36 HIS C C 13 174.300 0.200 . 1 . . . . . . . . 6495 1 178 . 1 1 36 36 HIS HA H 1 4.360 0.010 . 1 . . . . . . . . 6495 1 179 . 1 1 37 37 THR H H 1 7.710 0.010 . 1 . . . . . . . . 6495 1 180 . 1 1 37 37 THR N N 15 117.200 0.050 . 1 . . . . . . . . 6495 1 181 . 1 1 37 37 THR CA C 13 64.400 0.200 . 1 . . . . . . . . 6495 1 182 . 1 1 37 37 THR C C 13 174.200 0.200 . 1 . . . . . . . . 6495 1 183 . 1 1 37 37 THR HA H 1 3.940 0.010 . 1 . . . . . . . . 6495 1 184 . 1 1 38 38 LYS H H 1 8.900 0.010 . 1 . . . . . . . . 6495 1 185 . 1 1 38 38 LYS N N 15 128.900 0.050 . 1 . . . . . . . . 6495 1 186 . 1 1 38 38 LYS CA C 13 52.700 0.200 . 1 . . . . . . . . 6495 1 187 . 1 1 38 38 LYS HA H 1 4.800 0.010 . 1 . . . . . . . . 6495 1 188 . 1 1 39 39 PRO CA C 13 63.900 0.200 . 1 . . . . . . . . 6495 1 189 . 1 1 39 39 PRO C C 13 179.200 0.200 . 1 . . . . . . . . 6495 1 190 . 1 1 40 40 GLU H H 1 9.040 0.010 . 1 . . . . . . . . 6495 1 191 . 1 1 40 40 GLU N N 15 115.600 0.050 . 1 . . . . . . . . 6495 1 192 . 1 1 40 40 GLU CA C 13 58.600 0.200 . 1 . . . . . . . . 6495 1 193 . 1 1 40 40 GLU C C 13 177.300 0.200 . 1 . . . . . . . . 6495 1 194 . 1 1 40 40 GLU HA H 1 3.810 0.010 . 1 . . . . . . . . 6495 1 195 . 1 1 41 41 ASP H H 1 7.620 0.010 . 1 . . . . . . . . 6495 1 196 . 1 1 41 41 ASP N N 15 119.800 0.050 . 1 . . . . . . . . 6495 1 197 . 1 1 41 41 ASP CA C 13 54.400 0.200 . 1 . . . . . . . . 6495 1 198 . 1 1 41 41 ASP C C 13 174.300 0.200 . 1 . . . . . . . . 6495 1 199 . 1 1 41 41 ASP HA H 1 4.780 0.010 . 1 . . . . . . . . 6495 1 200 . 1 1 42 42 VAL H H 1 7.630 0.010 . 1 . . . . . . . . 6495 1 201 . 1 1 42 42 VAL N N 15 121.800 0.050 . 1 . . . . . . . . 6495 1 202 . 1 1 42 42 VAL CA C 13 62.300 0.200 . 1 . . . . . . . . 6495 1 203 . 1 1 42 42 VAL C C 13 174.700 0.200 . 1 . . . . . . . . 6495 1 204 . 1 1 42 42 VAL HA H 1 3.980 0.010 . 1 . . . . . . . . 6495 1 205 . 1 1 43 43 VAL H H 1 8.910 0.010 . 1 . . . . . . . . 6495 1 206 . 1 1 43 43 VAL N N 15 128.500 0.050 . 1 . . . . . . . . 6495 1 207 . 1 1 43 43 VAL CA C 13 64.500 0.200 . 1 . . . . . . . . 6495 1 208 . 1 1 43 43 VAL C C 13 176.500 0.200 . 1 . . . . . . . . 6495 1 209 . 1 1 44 44 GLN H H 1 7.250 0.010 . 1 . . . . . . . . 6495 1 210 . 1 1 44 44 GLN N N 15 105.300 0.050 . 1 . . . . . . . . 6495 1 211 . 1 1 44 44 GLN CA C 13 53.200 0.200 . 1 . . . . . . . . 6495 1 212 . 1 1 44 44 GLN C C 13 172.200 0.200 . 1 . . . . . . . . 6495 1 213 . 1 1 45 45 MET H H 1 8.670 0.010 . 1 . . . . . . . . 6495 1 214 . 1 1 45 45 MET N N 15 117.900 0.050 . 1 . . . . . . . . 6495 1 215 . 1 1 45 45 MET CA C 13 54.500 0.200 . 1 . . . . . . . . 6495 1 216 . 1 1 45 45 MET C C 13 171.500 0.200 . 1 . . . . . . . . 6495 1 217 . 1 1 45 45 MET HA H 1 5.190 0.010 . 1 . . . . . . . . 6495 1 218 . 1 1 46 46 LEU H H 1 8.220 0.010 . 1 . . . . . . . . 6495 1 219 . 1 1 46 46 LEU N N 15 121.500 0.050 . 1 . . . . . . . . 6495 1 220 . 1 1 46 46 LEU CA C 13 52.100 0.200 . 1 . . . . . . . . 6495 1 221 . 1 1 46 46 LEU C C 13 176.000 0.200 . 1 . . . . . . . . 6495 1 222 . 1 1 46 46 LEU HA H 1 5.470 0.010 . 1 . . . . . . . . 6495 1 223 . 1 1 47 47 LEU H H 1 8.060 0.010 . 1 . . . . . . . . 6495 1 224 . 1 1 47 47 LEU N N 15 123.100 0.050 . 1 . . . . . . . . 6495 1 225 . 1 1 47 47 LEU CA C 13 53.900 0.200 . 1 . . . . . . . . 6495 1 226 . 1 1 47 47 LEU C C 13 174.000 0.200 . 1 . . . . . . . . 6495 1 227 . 1 1 47 47 LEU HA H 1 5.540 0.010 . 1 . . . . . . . . 6495 1 228 . 1 1 48 48 SER H H 1 9.580 0.010 . 1 . . . . . . . . 6495 1 229 . 1 1 48 48 SER N N 15 117.400 0.050 . 1 . . . . . . . . 6495 1 230 . 1 1 48 48 SER CA C 13 53.200 0.200 . 1 . . . . . . . . 6495 1 231 . 1 1 48 48 SER C C 13 172.200 0.200 . 1 . . . . . . . . 6495 1 232 . 1 1 48 48 SER HA H 1 6.150 0.010 . 1 . . . . . . . . 6495 1 233 . 1 1 49 49 ALA H H 1 7.900 0.010 . 1 . . . . . . . . 6495 1 234 . 1 1 49 49 ALA N N 15 120.100 0.050 . 1 . . . . . . . . 6495 1 235 . 1 1 49 49 ALA CA C 13 49.200 0.200 . 1 . . . . . . . . 6495 1 236 . 1 1 49 49 ALA C C 13 177.800 0.200 . 1 . . . . . . . . 6495 1 237 . 1 1 49 49 ALA HA H 1 5.550 0.010 . 1 . . . . . . . . 6495 1 238 . 1 1 50 50 THR H H 1 8.020 0.010 . 1 . . . . . . . . 6495 1 239 . 1 1 50 50 THR N N 15 114.300 0.050 . 1 . . . . . . . . 6495 1 240 . 1 1 50 50 THR CA C 13 60.600 0.200 . 1 . . . . . . . . 6495 1 241 . 1 1 51 51 PRO CA C 13 64.000 0.200 . 1 . . . . . . . . 6495 1 242 . 1 1 51 51 PRO C C 13 173.100 0.200 . 1 . . . . . . . . 6495 1 243 . 1 1 52 52 ASP H H 1 8.000 0.010 . 1 . . . . . . . . 6495 1 244 . 1 1 52 52 ASP N N 15 116.900 0.050 . 1 . . . . . . . . 6495 1 245 . 1 1 52 52 ASP CA C 13 52.000 0.200 . 1 . . . . . . . . 6495 1 246 . 1 1 52 52 ASP C C 13 174.300 0.200 . 1 . . . . . . . . 6495 1 247 . 1 1 52 52 ASP HA H 1 4.560 0.010 . 1 . . . . . . . . 6495 1 248 . 1 1 53 53 LEU H H 1 6.930 0.010 . 1 . . . . . . . . 6495 1 249 . 1 1 53 53 LEU N N 15 120.000 0.050 . 1 . . . . . . . . 6495 1 250 . 1 1 53 53 LEU CA C 13 52.900 0.200 . 1 . . . . . . . . 6495 1 251 . 1 1 53 53 LEU C C 13 174.700 0.200 . 1 . . . . . . . . 6495 1 252 . 1 1 53 53 LEU HA H 1 4.400 0.010 . 1 . . . . . . . . 6495 1 253 . 1 1 54 54 HIS H H 1 10.130 0.010 . 1 . . . . . . . . 6495 1 254 . 1 1 54 54 HIS N N 15 117.500 0.050 . 1 . . . . . . . . 6495 1 255 . 1 1 54 54 HIS CA C 13 53.800 0.200 . 1 . . . . . . . . 6495 1 256 . 1 1 54 54 HIS C C 13 176.500 0.200 . 1 . . . . . . . . 6495 1 257 . 1 1 55 55 ALA H H 1 9.790 0.010 . 1 . . . . . . . . 6495 1 258 . 1 1 55 55 ALA N N 15 123.700 0.050 . 1 . . . . . . . . 6495 1 259 . 1 1 55 55 ALA CA C 13 56.000 0.200 . 1 . . . . . . . . 6495 1 260 . 1 1 55 55 ALA C C 13 178.600 0.200 . 1 . . . . . . . . 6495 1 261 . 1 1 56 56 VAL H H 1 6.890 0.010 . 1 . . . . . . . . 6495 1 262 . 1 1 56 56 VAL N N 15 110.600 0.050 . 1 . . . . . . . . 6495 1 263 . 1 1 56 56 VAL CA C 13 59.100 0.200 . 1 . . . . . . . . 6495 1 264 . 1 1 56 56 VAL C C 13 170.200 0.200 . 1 . . . . . . . . 6495 1 265 . 1 1 56 56 VAL HA H 1 4.050 0.010 . 1 . . . . . . . . 6495 1 266 . 1 1 57 57 PHE H H 1 7.380 0.010 . 1 . . . . . . . . 6495 1 267 . 1 1 57 57 PHE N N 15 121.900 0.050 . 1 . . . . . . . . 6495 1 268 . 1 1 57 57 PHE CA C 13 56.400 0.200 . 1 . . . . . . . . 6495 1 269 . 1 1 58 58 PRO CA C 13 63.900 0.200 . 1 . . . . . . . . 6495 1 270 . 1 1 58 58 PRO C C 13 174.800 0.200 . 1 . . . . . . . . 6495 1 271 . 1 1 59 59 ALA H H 1 6.000 0.010 . 1 . . . . . . . . 6495 1 272 . 1 1 59 59 ALA N N 15 114.800 0.050 . 1 . . . . . . . . 6495 1 273 . 1 1 59 59 ALA CA C 13 53.100 0.200 . 1 . . . . . . . . 6495 1 274 . 1 1 59 59 ALA C C 13 176.400 0.200 . 1 . . . . . . . . 6495 1 275 . 1 1 59 59 ALA HA H 1 3.610 0.010 . 1 . . . . . . . . 6495 1 276 . 1 1 60 60 LYS H H 1 7.310 0.010 . 1 . . . . . . . . 6495 1 277 . 1 1 60 60 LYS N N 15 120.100 0.050 . 1 . . . . . . . . 6495 1 278 . 1 1 60 60 LYS CA C 13 58.600 0.200 . 1 . . . . . . . . 6495 1 279 . 1 1 60 60 LYS C C 13 178.900 0.200 . 1 . . . . . . . . 6495 1 280 . 1 1 60 60 LYS HA H 1 4.040 0.010 . 1 . . . . . . . . 6495 1 281 . 1 1 61 61 ALA H H 1 7.510 0.010 . 1 . . . . . . . . 6495 1 282 . 1 1 61 61 ALA N N 15 118.700 0.050 . 1 . . . . . . . . 6495 1 283 . 1 1 61 61 ALA CA C 13 53.500 0.200 . 1 . . . . . . . . 6495 1 284 . 1 1 61 61 ALA C C 13 179.500 0.200 . 1 . . . . . . . . 6495 1 285 . 1 1 61 61 ALA HA H 1 3.860 0.010 . 1 . . . . . . . . 6495 1 286 . 1 1 62 62 VAL H H 1 7.540 0.010 . 1 . . . . . . . . 6495 1 287 . 1 1 62 62 VAL N N 15 115.600 0.050 . 1 . . . . . . . . 6495 1 288 . 1 1 62 62 VAL CA C 13 65.300 0.200 . 1 . . . . . . . . 6495 1 289 . 1 1 62 62 VAL C C 13 177.000 0.200 . 1 . . . . . . . . 6495 1 290 . 1 1 62 62 VAL HA H 1 3.110 0.010 . 1 . . . . . . . . 6495 1 291 . 1 1 63 63 ARG H H 1 6.630 0.010 . 1 . . . . . . . . 6495 1 292 . 1 1 63 63 ARG N N 15 112.300 0.050 . 1 . . . . . . . . 6495 1 293 . 1 1 63 63 ARG CA C 13 56.400 0.200 . 1 . . . . . . . . 6495 1 294 . 1 1 63 63 ARG C C 13 177.300 0.200 . 1 . . . . . . . . 6495 1 295 . 1 1 63 63 ARG HA H 1 4.210 0.010 . 1 . . . . . . . . 6495 1 296 . 1 1 64 64 GLU H H 1 7.240 0.010 . 1 . . . . . . . . 6495 1 297 . 1 1 64 64 GLU N N 15 116.900 0.050 . 1 . . . . . . . . 6495 1 298 . 1 1 64 64 GLU CA C 13 56.100 0.200 . 1 . . . . . . . . 6495 1 299 . 1 1 64 64 GLU C C 13 176.900 0.200 . 1 . . . . . . . . 6495 1 300 . 1 1 65 65 LEU H H 1 7.250 0.010 . 1 . . . . . . . . 6495 1 301 . 1 1 65 65 LEU N N 15 121.700 0.050 . 1 . . . . . . . . 6495 1 302 . 1 1 65 65 LEU CA C 13 53.300 0.200 . 1 . . . . . . . . 6495 1 303 . 1 1 65 65 LEU C C 13 177.000 0.200 . 1 . . . . . . . . 6495 1 304 . 1 1 65 65 LEU HA H 1 4.300 0.010 . 1 . . . . . . . . 6495 1 305 . 1 1 66 66 SER H H 1 8.590 0.010 . 1 . . . . . . . . 6495 1 306 . 1 1 66 66 SER N N 15 120.400 0.050 . 1 . . . . . . . . 6495 1 307 . 1 1 66 66 SER CA C 13 59.200 0.200 . 1 . . . . . . . . 6495 1 308 . 1 1 67 67 GLY H H 1 9.010 0.010 . 1 . . . . . . . . 6495 1 309 . 1 1 67 67 GLY N N 15 116.000 0.050 . 1 . . . . . . . . 6495 1 310 . 1 1 67 67 GLY CA C 13 45.400 0.200 . 1 . . . . . . . . 6495 1 311 . 1 1 67 67 GLY C C 13 176.700 0.200 . 1 . . . . . . . . 6495 1 312 . 1 1 68 68 TRP H H 1 7.970 0.010 . 1 . . . . . . . . 6495 1 313 . 1 1 68 68 TRP N N 15 121.700 0.050 . 1 . . . . . . . . 6495 1 314 . 1 1 68 68 TRP CA C 13 58.800 0.200 . 1 . . . . . . . . 6495 1 315 . 1 1 68 68 TRP C C 13 176.800 0.200 . 1 . . . . . . . . 6495 1 316 . 1 1 68 68 TRP HA H 1 4.370 0.010 . 1 . . . . . . . . 6495 1 317 . 1 1 69 69 GLN H H 1 8.550 0.010 . 1 . . . . . . . . 6495 1 318 . 1 1 69 69 GLN N N 15 120.800 0.050 . 1 . . . . . . . . 6495 1 319 . 1 1 69 69 GLN CA C 13 58.900 0.200 . 1 . . . . . . . . 6495 1 320 . 1 1 69 69 GLN C C 13 176.100 0.200 . 1 . . . . . . . . 6495 1 321 . 1 1 69 69 GLN HA H 1 3.710 0.010 . 1 . . . . . . . . 6495 1 322 . 1 1 70 70 TYR H H 1 8.490 0.010 . 1 . . . . . . . . 6495 1 323 . 1 1 70 70 TYR N N 15 115.500 0.050 . 1 . . . . . . . . 6495 1 324 . 1 1 70 70 TYR CA C 13 56.200 0.200 . 1 . . . . . . . . 6495 1 325 . 1 1 70 70 TYR C C 13 173.900 0.200 . 1 . . . . . . . . 6495 1 326 . 1 1 71 71 VAL H H 1 7.140 0.010 . 1 . . . . . . . . 6495 1 327 . 1 1 71 71 VAL N N 15 124.700 0.050 . 1 . . . . . . . . 6495 1 328 . 1 1 71 71 VAL CA C 13 60.600 0.200 . 1 . . . . . . . . 6495 1 329 . 1 1 71 71 VAL HA H 1 3.950 0.010 . 1 . . . . . . . . 6495 1 330 . 1 1 72 72 PRO CA C 13 62.000 0.200 . 1 . . . . . . . . 6495 1 331 . 1 1 72 72 PRO C C 13 175.400 0.200 . 1 . . . . . . . . 6495 1 332 . 1 1 72 72 PRO HA H 1 4.530 0.010 . 1 . . . . . . . . 6495 1 333 . 1 1 73 73 VAL H H 1 9.300 0.010 . 1 . . . . . . . . 6495 1 334 . 1 1 73 73 VAL N N 15 122.900 0.050 . 1 . . . . . . . . 6495 1 335 . 1 1 73 73 VAL CA C 13 57.400 0.200 . 1 . . . . . . . . 6495 1 336 . 1 1 73 73 VAL C C 13 173.800 0.200 . 1 . . . . . . . . 6495 1 337 . 1 1 73 73 VAL HA H 1 5.580 0.010 . 1 . . . . . . . . 6495 1 338 . 1 1 74 74 THR H H 1 7.640 0.010 . 1 . . . . . . . . 6495 1 339 . 1 1 74 74 THR N N 15 118.000 0.050 . 1 . . . . . . . . 6495 1 340 . 1 1 74 74 THR CA C 13 62.300 0.200 . 1 . . . . . . . . 6495 1 341 . 1 1 74 74 THR C C 13 171.400 0.200 . 1 . . . . . . . . 6495 1 342 . 1 1 74 74 THR HA H 1 4.850 0.010 . 1 . . . . . . . . 6495 1 343 . 1 1 75 75 CYS H H 1 7.300 0.010 . 1 . . . . . . . . 6495 1 344 . 1 1 75 75 CYS N N 15 120.500 0.050 . 1 . . . . . . . . 6495 1 345 . 1 1 75 75 CYS CA C 13 56.900 0.200 . 1 . . . . . . . . 6495 1 346 . 1 1 75 75 CYS C C 13 172.500 0.200 . 1 . . . . . . . . 6495 1 347 . 1 1 75 75 CYS HA H 1 6.130 0.010 . 1 . . . . . . . . 6495 1 348 . 1 1 76 76 MET H H 1 8.000 0.010 . 1 . . . . . . . . 6495 1 349 . 1 1 76 76 MET N N 15 112.200 0.050 . 1 . . . . . . . . 6495 1 350 . 1 1 76 76 MET CA C 13 54.800 0.200 . 1 . . . . . . . . 6495 1 351 . 1 1 76 76 MET C C 13 173.000 0.200 . 1 . . . . . . . . 6495 1 352 . 1 1 77 77 GLN H H 1 8.440 0.010 . 1 . . . . . . . . 6495 1 353 . 1 1 77 77 GLN N N 15 119.700 0.050 . 1 . . . . . . . . 6495 1 354 . 1 1 77 77 GLN CA C 13 55.200 0.200 . 1 . . . . . . . . 6495 1 355 . 1 1 77 77 GLN C C 13 175.900 0.200 . 1 . . . . . . . . 6495 1 356 . 1 1 78 78 GLU H H 1 8.110 0.010 . 1 . . . . . . . . 6495 1 357 . 1 1 78 78 GLU N N 15 127.700 0.050 . 1 . . . . . . . . 6495 1 358 . 1 1 78 78 GLU CA C 13 54.600 0.200 . 1 . . . . . . . . 6495 1 359 . 1 1 78 78 GLU C C 13 176.200 0.200 . 1 . . . . . . . . 6495 1 360 . 1 1 79 79 MET H H 1 11.890 0.010 . 1 . . . . . . . . 6495 1 361 . 1 1 79 79 MET N N 15 127.300 0.050 . 1 . . . . . . . . 6495 1 362 . 1 1 79 79 MET CA C 13 57.200 0.200 . 1 . . . . . . . . 6495 1 363 . 1 1 79 79 MET C C 13 175.200 0.200 . 1 . . . . . . . . 6495 1 364 . 1 1 79 79 MET HA H 1 3.920 0.010 . 1 . . . . . . . . 6495 1 365 . 1 1 80 80 ASP H H 1 9.220 0.010 . 1 . . . . . . . . 6495 1 366 . 1 1 80 80 ASP N N 15 122.600 0.050 . 1 . . . . . . . . 6495 1 367 . 1 1 80 80 ASP CA C 13 52.000 0.200 . 1 . . . . . . . . 6495 1 368 . 1 1 80 80 ASP C C 13 175.300 0.200 . 1 . . . . . . . . 6495 1 369 . 1 1 80 80 ASP HA H 1 4.590 0.010 . 1 . . . . . . . . 6495 1 370 . 1 1 81 81 VAL H H 1 7.210 0.010 . 1 . . . . . . . . 6495 1 371 . 1 1 81 81 VAL N N 15 126.500 0.050 . 1 . . . . . . . . 6495 1 372 . 1 1 81 81 VAL CA C 13 60.100 0.200 . 1 . . . . . . . . 6495 1 373 . 1 1 81 81 VAL C C 13 178.100 0.200 . 1 . . . . . . . . 6495 1 374 . 1 1 81 81 VAL HA H 1 4.400 0.010 . 1 . . . . . . . . 6495 1 375 . 1 1 82 82 THR H H 1 8.900 0.010 . 1 . . . . . . . . 6495 1 376 . 1 1 82 82 THR N N 15 128.900 0.050 . 1 . . . . . . . . 6495 1 377 . 1 1 82 82 THR CA C 13 64.400 0.200 . 1 . . . . . . . . 6495 1 378 . 1 1 82 82 THR HA H 1 3.950 0.010 . 1 . . . . . . . . 6495 1 379 . 1 1 83 83 GLY CA C 13 44.800 0.200 . 1 . . . . . . . . 6495 1 380 . 1 1 83 83 GLY C C 13 174.600 0.200 . 1 . . . . . . . . 6495 1 381 . 1 1 84 84 GLY H H 1 8.480 0.010 . 1 . . . . . . . . 6495 1 382 . 1 1 84 84 GLY N N 15 110.300 0.050 . 1 . . . . . . . . 6495 1 383 . 1 1 84 84 GLY CA C 13 43.800 0.200 . 1 . . . . . . . . 6495 1 384 . 1 1 84 84 GLY C C 13 172.700 0.200 . 1 . . . . . . . . 6495 1 385 . 1 1 84 84 GLY HA2 H 1 3.570 0.010 . 1 . . . . . . . . 6495 1 386 . 1 1 84 84 GLY HA3 H 1 4.220 0.010 . 1 . . . . . . . . 6495 1 387 . 1 1 85 85 LEU H H 1 8.050 0.010 . 1 . . . . . . . . 6495 1 388 . 1 1 85 85 LEU N N 15 126.200 0.050 . 1 . . . . . . . . 6495 1 389 . 1 1 85 85 LEU CA C 13 55.400 0.200 . 1 . . . . . . . . 6495 1 390 . 1 1 85 85 LEU C C 13 177.300 0.200 . 1 . . . . . . . . 6495 1 391 . 1 1 85 85 LEU HA H 1 4.200 0.010 . 1 . . . . . . . . 6495 1 392 . 1 1 86 86 LYS H H 1 8.170 0.010 . 1 . . . . . . . . 6495 1 393 . 1 1 86 86 LYS N N 15 126.600 0.050 . 1 . . . . . . . . 6495 1 394 . 1 1 86 86 LYS CA C 13 54.900 0.200 . 1 . . . . . . . . 6495 1 395 . 1 1 86 86 LYS C C 13 174.900 0.200 . 1 . . . . . . . . 6495 1 396 . 1 1 86 86 LYS HA H 1 4.270 0.010 . 1 . . . . . . . . 6495 1 397 . 1 1 87 87 LYS H H 1 9.500 0.010 . 1 . . . . . . . . 6495 1 398 . 1 1 87 87 LYS N N 15 119.500 0.050 . 1 . . . . . . . . 6495 1 399 . 1 1 87 87 LYS CA C 13 56.500 0.200 . 1 . . . . . . . . 6495 1 400 . 1 1 87 87 LYS C C 13 172.900 0.200 . 1 . . . . . . . . 6495 1 401 . 1 1 87 87 LYS HA H 1 4.830 0.010 . 1 . . . . . . . . 6495 1 402 . 1 1 88 88 CYS H H 1 8.380 0.010 . 1 . . . . . . . . 6495 1 403 . 1 1 88 88 CYS N N 15 117.000 0.050 . 1 . . . . . . . . 6495 1 404 . 1 1 88 88 CYS CA C 13 57.200 0.200 . 1 . . . . . . . . 6495 1 405 . 1 1 88 88 CYS C C 13 174.500 0.200 . 1 . . . . . . . . 6495 1 406 . 1 1 88 88 CYS HA H 1 5.170 0.010 . 1 . . . . . . . . 6495 1 407 . 1 1 89 89 ILE H H 1 8.400 0.010 . 1 . . . . . . . . 6495 1 408 . 1 1 89 89 ILE N N 15 133.200 0.050 . 1 . . . . . . . . 6495 1 409 . 1 1 89 89 ILE CA C 13 58.800 0.200 . 1 . . . . . . . . 6495 1 410 . 1 1 89 89 ILE C C 13 173.600 0.200 . 1 . . . . . . . . 6495 1 411 . 1 1 89 89 ILE HA H 1 5.020 0.010 . 1 . . . . . . . . 6495 1 412 . 1 1 90 90 ARG H H 1 8.930 0.010 . 1 . . . . . . . . 6495 1 413 . 1 1 90 90 ARG N N 15 125.300 0.050 . 1 . . . . . . . . 6495 1 414 . 1 1 90 90 ARG CA C 13 53.600 0.200 . 1 . . . . . . . . 6495 1 415 . 1 1 90 90 ARG C C 13 175.000 0.200 . 1 . . . . . . . . 6495 1 416 . 1 1 91 91 VAL H H 1 8.370 0.010 . 1 . . . . . . . . 6495 1 417 . 1 1 91 91 VAL N N 15 116.800 0.050 . 1 . . . . . . . . 6495 1 418 . 1 1 91 91 VAL CA C 13 58.400 0.200 . 1 . . . . . . . . 6495 1 419 . 1 1 91 91 VAL C C 13 175.300 0.200 . 1 . . . . . . . . 6495 1 420 . 1 1 91 91 VAL HA H 1 5.140 0.010 . 1 . . . . . . . . 6495 1 421 . 1 1 92 92 MET H H 1 8.950 0.010 . 1 . . . . . . . . 6495 1 422 . 1 1 92 92 MET N N 15 126.700 0.050 . 1 . . . . . . . . 6495 1 423 . 1 1 92 92 MET CA C 13 54.200 0.200 . 1 . . . . . . . . 6495 1 424 . 1 1 92 92 MET C C 13 174.000 0.200 . 1 . . . . . . . . 6495 1 425 . 1 1 92 92 MET HA H 1 5.230 0.010 . 1 . . . . . . . . 6495 1 426 . 1 1 93 93 MET H H 1 10.180 0.010 . 1 . . . . . . . . 6495 1 427 . 1 1 93 93 MET N N 15 134.800 0.050 . 1 . . . . . . . . 6495 1 428 . 1 1 93 93 MET CA C 13 54.700 0.200 . 1 . . . . . . . . 6495 1 429 . 1 1 93 93 MET C C 13 172.800 0.200 . 1 . . . . . . . . 6495 1 430 . 1 1 93 93 MET HA H 1 4.700 0.010 . 1 . . . . . . . . 6495 1 431 . 1 1 94 94 THR H H 1 8.650 0.010 . 1 . . . . . . . . 6495 1 432 . 1 1 94 94 THR N N 15 126.400 0.050 . 1 . . . . . . . . 6495 1 433 . 1 1 94 94 THR CA C 13 62.800 0.200 . 1 . . . . . . . . 6495 1 434 . 1 1 94 94 THR C C 13 173.300 0.200 . 1 . . . . . . . . 6495 1 435 . 1 1 94 94 THR HA H 1 4.840 0.010 . 1 . . . . . . . . 6495 1 436 . 1 1 95 95 VAL H H 1 9.190 0.010 . 1 . . . . . . . . 6495 1 437 . 1 1 95 95 VAL N N 15 121.700 0.050 . 1 . . . . . . . . 6495 1 438 . 1 1 95 95 VAL CA C 13 58.600 0.200 . 1 . . . . . . . . 6495 1 439 . 1 1 95 95 VAL C C 13 173.400 0.200 . 1 . . . . . . . . 6495 1 440 . 1 1 95 95 VAL HA H 1 5.460 0.010 . 1 . . . . . . . . 6495 1 441 . 1 1 96 96 GLN H H 1 8.990 0.010 . 1 . . . . . . . . 6495 1 442 . 1 1 96 96 GLN N N 15 123.100 0.050 . 1 . . . . . . . . 6495 1 443 . 1 1 96 96 GLN CA C 13 54.900 0.200 . 1 . . . . . . . . 6495 1 444 . 1 1 96 96 GLN C C 13 174.900 0.200 . 1 . . . . . . . . 6495 1 445 . 1 1 96 96 GLN HA H 1 5.120 0.010 . 1 . . . . . . . . 6495 1 446 . 1 1 97 97 THR H H 1 8.680 0.010 . 1 . . . . . . . . 6495 1 447 . 1 1 97 97 THR N N 15 123.500 0.050 . 1 . . . . . . . . 6495 1 448 . 1 1 97 97 THR CA C 13 60.100 0.200 . 1 . . . . . . . . 6495 1 449 . 1 1 97 97 THR C C 13 170.100 0.200 . 1 . . . . . . . . 6495 1 450 . 1 1 97 97 THR HA H 1 4.640 0.010 . 1 . . . . . . . . 6495 1 451 . 1 1 98 98 ASP H H 1 8.620 0.010 . 1 . . . . . . . . 6495 1 452 . 1 1 98 98 ASP N N 15 127.200 0.050 . 1 . . . . . . . . 6495 1 453 . 1 1 98 98 ASP CA C 13 53.100 0.200 . 1 . . . . . . . . 6495 1 454 . 1 1 98 98 ASP C C 13 176.500 0.200 . 1 . . . . . . . . 6495 1 455 . 1 1 98 98 ASP HA H 1 4.830 0.010 . 1 . . . . . . . . 6495 1 456 . 1 1 99 99 VAL H H 1 8.370 0.010 . 1 . . . . . . . . 6495 1 457 . 1 1 99 99 VAL N N 15 128.000 0.050 . 1 . . . . . . . . 6495 1 458 . 1 1 99 99 VAL CA C 13 61.400 0.200 . 1 . . . . . . . . 6495 1 459 . 1 1 100 100 PRO CA C 13 62.200 0.200 . 1 . . . . . . . . 6495 1 460 . 1 1 100 100 PRO C C 13 177.500 0.200 . 1 . . . . . . . . 6495 1 461 . 1 1 100 100 PRO HA H 1 4.320 0.010 . 1 . . . . . . . . 6495 1 462 . 1 1 101 101 GLN H H 1 8.920 0.010 . 1 . . . . . . . . 6495 1 463 . 1 1 101 101 GLN N N 15 121.200 0.050 . 1 . . . . . . . . 6495 1 464 . 1 1 101 101 GLN CA C 13 59.500 0.200 . 1 . . . . . . . . 6495 1 465 . 1 1 101 101 GLN C C 13 178.700 0.200 . 1 . . . . . . . . 6495 1 466 . 1 1 101 101 GLN HA H 1 3.710 0.010 . 1 . . . . . . . . 6495 1 467 . 1 1 102 102 ASP H H 1 8.530 0.010 . 1 . . . . . . . . 6495 1 468 . 1 1 102 102 ASP N N 15 115.200 0.050 . 1 . . . . . . . . 6495 1 469 . 1 1 102 102 ASP CA C 13 54.400 0.200 . 1 . . . . . . . . 6495 1 470 . 1 1 102 102 ASP C C 13 174.700 0.200 . 1 . . . . . . . . 6495 1 471 . 1 1 102 102 ASP HA H 1 3.510 0.010 . 1 . . . . . . . . 6495 1 472 . 1 1 103 103 GLN H H 1 7.730 0.010 . 1 . . . . . . . . 6495 1 473 . 1 1 103 103 GLN N N 15 117.200 0.050 . 1 . . . . . . . . 6495 1 474 . 1 1 103 103 GLN CA C 13 54.300 0.200 . 1 . . . . . . . . 6495 1 475 . 1 1 103 103 GLN C C 13 175.600 0.200 . 1 . . . . . . . . 6495 1 476 . 1 1 104 104 ILE H H 1 6.620 0.010 . 1 . . . . . . . . 6495 1 477 . 1 1 104 104 ILE N N 15 124.500 0.050 . 1 . . . . . . . . 6495 1 478 . 1 1 104 104 ILE CA C 13 59.600 0.200 . 1 . . . . . . . . 6495 1 479 . 1 1 104 104 ILE C C 13 175.000 0.200 . 1 . . . . . . . . 6495 1 480 . 1 1 104 104 ILE HA H 1 3.680 0.010 . 1 . . . . . . . . 6495 1 481 . 1 1 105 105 ARG H H 1 7.960 0.010 . 1 . . . . . . . . 6495 1 482 . 1 1 105 105 ARG N N 15 128.100 0.050 . 1 . . . . . . . . 6495 1 483 . 1 1 105 105 ARG CA C 13 54.400 0.200 . 1 . . . . . . . . 6495 1 484 . 1 1 105 105 ARG C C 13 172.700 0.200 . 1 . . . . . . . . 6495 1 485 . 1 1 105 105 ARG HA H 1 4.420 0.010 . 1 . . . . . . . . 6495 1 486 . 1 1 106 106 HIS H H 1 8.130 0.010 . 1 . . . . . . . . 6495 1 487 . 1 1 106 106 HIS N N 15 126.700 0.050 . 1 . . . . . . . . 6495 1 488 . 1 1 106 106 HIS CA C 13 56.000 0.200 . 1 . . . . . . . . 6495 1 489 . 1 1 106 106 HIS C C 13 178.000 0.200 . 1 . . . . . . . . 6495 1 490 . 1 1 106 106 HIS HA H 1 5.010 0.010 . 1 . . . . . . . . 6495 1 491 . 1 1 107 107 VAL H H 1 8.020 0.010 . 1 . . . . . . . . 6495 1 492 . 1 1 107 107 VAL N N 15 122.800 0.050 . 1 . . . . . . . . 6495 1 493 . 1 1 107 107 VAL CA C 13 62.600 0.200 . 1 . . . . . . . . 6495 1 494 . 1 1 107 107 VAL C C 13 171.000 0.200 . 1 . . . . . . . . 6495 1 495 . 1 1 107 107 VAL HA H 1 4.230 0.010 . 1 . . . . . . . . 6495 1 496 . 1 1 108 108 TYR H H 1 8.330 0.010 . 1 . . . . . . . . 6495 1 497 . 1 1 108 108 TYR N N 15 128.500 0.050 . 1 . . . . . . . . 6495 1 498 . 1 1 108 108 TYR CA C 13 56.400 0.200 . 1 . . . . . . . . 6495 1 499 . 1 1 108 108 TYR C C 13 173.900 0.200 . 1 . . . . . . . . 6495 1 500 . 1 1 108 108 TYR HA H 1 4.840 0.010 . 1 . . . . . . . . 6495 1 501 . 1 1 109 109 LEU H H 1 8.540 0.010 . 1 . . . . . . . . 6495 1 502 . 1 1 109 109 LEU N N 15 121.600 0.050 . 1 . . . . . . . . 6495 1 503 . 1 1 109 109 LEU CA C 13 52.200 0.200 . 1 . . . . . . . . 6495 1 504 . 1 1 109 109 LEU C C 13 176.000 0.200 . 1 . . . . . . . . 6495 1 505 . 1 1 109 109 LEU HA H 1 4.820 0.010 . 1 . . . . . . . . 6495 1 506 . 1 1 110 110 GLU H H 1 8.870 0.010 . 1 . . . . . . . . 6495 1 507 . 1 1 110 110 GLU N N 15 114.300 0.050 . 1 . . . . . . . . 6495 1 508 . 1 1 110 110 GLU CA C 13 55.700 0.200 . 1 . . . . . . . . 6495 1 509 . 1 1 110 110 GLU C C 13 179.700 0.200 . 1 . . . . . . . . 6495 1 510 . 1 1 110 110 GLU HA H 1 3.800 0.010 . 1 . . . . . . . . 6495 1 511 . 1 1 111 111 LYS H H 1 8.290 0.010 . 1 . . . . . . . . 6495 1 512 . 1 1 111 111 LYS N N 15 121.300 0.050 . 1 . . . . . . . . 6495 1 513 . 1 1 111 111 LYS CA C 13 57.700 0.200 . 1 . . . . . . . . 6495 1 514 . 1 1 111 111 LYS C C 13 177.400 0.200 . 1 . . . . . . . . 6495 1 515 . 1 1 111 111 LYS HA H 1 4.340 0.010 . 1 . . . . . . . . 6495 1 516 . 1 1 112 112 ALA H H 1 8.250 0.010 . 1 . . . . . . . . 6495 1 517 . 1 1 112 112 ALA N N 15 118.600 0.050 . 1 . . . . . . . . 6495 1 518 . 1 1 112 112 ALA CA C 13 52.200 0.200 . 1 . . . . . . . . 6495 1 519 . 1 1 112 112 ALA C C 13 178.100 0.200 . 1 . . . . . . . . 6495 1 520 . 1 1 112 112 ALA HA H 1 4.190 0.010 . 1 . . . . . . . . 6495 1 521 . 1 1 113 113 VAL H H 1 6.830 0.010 . 1 . . . . . . . . 6495 1 522 . 1 1 113 113 VAL N N 15 114.700 0.050 . 1 . . . . . . . . 6495 1 523 . 1 1 113 113 VAL CA C 13 64.000 0.200 . 1 . . . . . . . . 6495 1 524 . 1 1 113 113 VAL C C 13 176.500 0.200 . 1 . . . . . . . . 6495 1 525 . 1 1 113 113 VAL HA H 1 3.830 0.010 . 1 . . . . . . . . 6495 1 526 . 1 1 114 114 VAL H H 1 6.420 0.010 . 1 . . . . . . . . 6495 1 527 . 1 1 114 114 VAL N N 15 112.200 0.050 . 1 . . . . . . . . 6495 1 528 . 1 1 114 114 VAL CA C 13 61.200 0.200 . 1 . . . . . . . . 6495 1 529 . 1 1 114 114 VAL C C 13 177.200 0.200 . 1 . . . . . . . . 6495 1 530 . 1 1 114 114 VAL HA H 1 4.110 0.010 . 1 . . . . . . . . 6495 1 531 . 1 1 115 115 LEU H H 1 7.500 0.010 . 1 . . . . . . . . 6495 1 532 . 1 1 115 115 LEU N N 15 120.600 0.050 . 1 . . . . . . . . 6495 1 533 . 1 1 115 115 LEU CA C 13 56.700 0.200 . 1 . . . . . . . . 6495 1 534 . 1 1 115 115 LEU C C 13 178.400 0.200 . 1 . . . . . . . . 6495 1 535 . 1 1 116 116 ARG H H 1 7.600 0.010 . 1 . . . . . . . . 6495 1 536 . 1 1 116 116 ARG N N 15 116.600 0.050 . 1 . . . . . . . . 6495 1 537 . 1 1 116 116 ARG CA C 13 49.500 0.200 . 1 . . . . . . . . 6495 1 538 . 1 1 116 116 ARG HA H 1 4.790 0.010 . 1 . . . . . . . . 6495 1 539 . 1 1 117 117 PRO CA C 13 64.200 0.200 . 1 . . . . . . . . 6495 1 540 . 1 1 117 117 PRO C C 13 177.600 0.200 . 1 . . . . . . . . 6495 1 541 . 1 1 118 118 ASP H H 1 8.870 0.010 . 1 . . . . . . . . 6495 1 542 . 1 1 118 118 ASP N N 15 114.800 0.050 . 1 . . . . . . . . 6495 1 543 . 1 1 118 118 ASP CA C 13 54.400 0.200 . 1 . . . . . . . . 6495 1 544 . 1 1 118 118 ASP C C 13 176.300 0.200 . 1 . . . . . . . . 6495 1 545 . 1 1 119 119 LEU H H 1 7.490 0.010 . 1 . . . . . . . . 6495 1 546 . 1 1 119 119 LEU N N 15 119.900 0.050 . 1 . . . . . . . . 6495 1 547 . 1 1 119 119 LEU CA C 13 53.700 0.200 . 1 . . . . . . . . 6495 1 548 . 1 1 119 119 LEU C C 13 176.800 0.200 . 1 . . . . . . . . 6495 1 549 . 1 1 119 119 LEU HA H 1 4.320 0.010 . 1 . . . . . . . . 6495 1 550 . 1 1 120 120 SER H H 1 7.320 0.010 . 1 . . . . . . . . 6495 1 551 . 1 1 120 120 SER N N 15 114.000 0.050 . 1 . . . . . . . . 6495 1 552 . 1 1 120 120 SER CA C 13 58.400 0.200 . 1 . . . . . . . . 6495 1 553 . 1 1 120 120 SER C C 13 174.900 0.200 . 1 . . . . . . . . 6495 1 554 . 1 1 120 120 SER HA H 1 4.280 0.010 . 1 . . . . . . . . 6495 1 555 . 1 1 121 121 LEU H H 1 8.430 0.010 . 1 . . . . . . . . 6495 1 556 . 1 1 121 121 LEU N N 15 125.200 0.050 . 1 . . . . . . . . 6495 1 557 . 1 1 121 121 LEU CA C 13 54.900 0.200 . 1 . . . . . . . . 6495 1 558 . 1 1 121 121 LEU C C 13 175.300 0.200 . 1 . . . . . . . . 6495 1 559 . 1 1 122 122 THR H H 1 8.120 0.010 . 1 . . . . . . . . 6495 1 560 . 1 1 122 122 THR N N 15 115.400 0.050 . 1 . . . . . . . . 6495 1 561 . 1 1 122 122 THR CA C 13 61.300 0.200 . 1 . . . . . . . . 6495 1 562 . 1 1 123 123 LYS H H 1 8.320 0.010 . 1 . . . . . . . . 6495 1 563 . 1 1 123 123 LYS N N 15 125.000 0.050 . 1 . . . . . . . . 6495 1 564 . 1 1 123 123 LYS CA C 13 55.800 0.200 . 1 . . . . . . . . 6495 1 565 . 1 1 123 123 LYS C C 13 175.000 0.200 . 1 . . . . . . . . 6495 1 566 . 1 1 123 123 LYS HA H 1 4.350 0.010 . 1 . . . . . . . . 6495 1 567 . 1 1 124 124 ASN H H 1 8.570 0.010 . 1 . . . . . . . . 6495 1 568 . 1 1 124 124 ASN N N 15 121.400 0.050 . 1 . . . . . . . . 6495 1 569 . 1 1 124 124 ASN CA C 13 53.000 0.200 . 1 . . . . . . . . 6495 1 570 . 1 1 124 124 ASN C C 13 178.300 0.200 . 1 . . . . . . . . 6495 1 571 . 1 1 125 125 THR H H 1 8.150 0.010 . 1 . . . . . . . . 6495 1 572 . 1 1 125 125 THR N N 15 115.500 0.050 . 1 . . . . . . . . 6495 1 573 . 1 1 125 125 THR CA C 13 61.700 0.200 . 1 . . . . . . . . 6495 1 574 . 1 1 125 125 THR C C 13 173.900 0.200 . 1 . . . . . . . . 6495 1 575 . 1 1 126 126 GLU H H 1 8.340 0.010 . 1 . . . . . . . . 6495 1 576 . 1 1 126 126 GLU N N 15 124.300 0.050 . 1 . . . . . . . . 6495 1 577 . 1 1 126 126 GLU CA C 13 56.000 0.200 . 1 . . . . . . . . 6495 1 578 . 1 1 126 126 GLU C C 13 175.200 0.200 . 1 . . . . . . . . 6495 1 579 . 1 1 126 126 GLU HA H 1 4.310 0.010 . 1 . . . . . . . . 6495 1 580 . 1 1 127 127 LEU H H 1 7.830 0.010 . 1 . . . . . . . . 6495 1 581 . 1 1 127 127 LEU N N 15 129.200 0.050 . 1 . . . . . . . . 6495 1 582 . 1 1 127 127 LEU CA C 13 56.200 0.200 . 1 . . . . . . . . 6495 1 583 . 1 1 127 127 LEU HA H 1 4.140 0.010 . 1 . . . . . . . . 6495 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 6495 _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 . . 2 $DL-BsCM . 6495 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 . . 0.315 0.020 . . . . . . . . . . 6495 1 2 . 1 1 3 3 ILE H . . . 1 1 3 3 ILE N . . 0.723 0.050 . . . . . . . . . . 6495 1 3 . 1 1 4 4 ARG H . . . 1 1 4 4 ARG N . . 0.759 0.057 . . . . . . . . . . 6495 1 4 . 1 1 5 5 GLY H . . . 1 1 5 5 GLY N . . 0.842 0.081 . . . . . . . . . . 6495 1 5 . 1 1 6 6 ILE H . . . 1 1 6 6 ILE N . . 0.830 0.052 . . . . . . . . . . 6495 1 6 . 1 1 7 7 ARG H . . . 1 1 7 7 ARG N . . 0.842 0.081 . . . . . . . . . . 6495 1 7 . 1 1 8 8 GLY H . . . 1 1 8 8 GLY N . . 0.796 0.081 . . . . . . . . . . 6495 1 8 . 1 1 9 9 ALA H . . . 1 1 9 9 ALA N . . 0.806 0.040 . . . . . . . . . . 6495 1 9 . 1 1 10 10 THR H . . . 1 1 10 10 THR N . . 0.814 0.050 . . . . . . . . . . 6495 1 10 . 1 1 11 11 THR H . . . 1 1 11 11 THR N . . 0.869 0.043 . . . . . . . . . . 6495 1 11 . 1 1 12 12 VAL H . . . 1 1 12 12 VAL N . . 0.803 0.043 . . . . . . . . . . 6495 1 12 . 1 1 13 13 GLU H . . . 1 1 13 13 GLU N . . 0.654 0.035 . . . . . . . . . . 6495 1 13 . 1 1 14 14 ARG H . . . 1 1 14 14 ARG N . . 0.604 0.030 . . . . . . . . . . 6495 1 14 . 1 1 15 15 ASP H . . . 1 1 15 15 ASP N . . 0.677 0.049 . . . . . . . . . . 6495 1 15 . 1 1 16 16 THR H . . . 1 1 16 16 THR N . . 0.882 0.044 . . . . . . . . . . 6495 1 16 . 1 1 17 17 GLU H . . . 1 1 17 17 GLU N . . 0.810 0.041 . . . . . . . . . . 6495 1 17 . 1 1 18 18 GLU H . . . 1 1 18 18 GLU N . . 0.785 0.039 . . . . . . . . . . 6495 1 18 . 1 1 19 19 GLU H . . . 1 1 19 19 GLU N . . 0.794 0.040 . . . . . . . . . . 6495 1 19 . 1 1 20 20 ILE H . . . 1 1 20 20 ILE N . . 0.857 0.043 . . . . . . . . . . 6495 1 20 . 1 1 21 21 LEU H . . . 1 1 21 21 LEU N . . 0.766 0.038 . . . . . . . . . . 6495 1 21 . 1 1 22 22 GLN H . . . 1 1 22 22 GLN N . . 0.786 0.039 . . . . . . . . . . 6495 1 22 . 1 1 23 23 LYS H . . . 1 1 23 23 LYS N . . 0.827 0.041 . . . . . . . . . . 6495 1 23 . 1 1 24 24 THR H . . . 1 1 24 24 THR N . . 0.854 0.043 . . . . . . . . . . 6495 1 24 . 1 1 25 25 LYS H . . . 1 1 25 25 LYS N . . 0.833 0.042 . . . . . . . . . . 6495 1 25 . 1 1 26 26 GLN H . . . 1 1 26 26 GLN N . . 0.798 0.040 . . . . . . . . . . 6495 1 26 . 1 1 27 27 LEU H . . . 1 1 27 27 LEU N . . 0.861 0.043 . . . . . . . . . . 6495 1 27 . 1 1 28 28 LEU H . . . 1 1 28 28 LEU N . . 0.855 0.043 . . . . . . . . . . 6495 1 28 . 1 1 29 29 GLU H . . . 1 1 29 29 GLU N . . 0.800 0.040 . . . . . . . . . . 6495 1 29 . 1 1 30 30 LYS H . . . 1 1 30 30 LYS N . . 0.806 0.040 . . . . . . . . . . 6495 1 30 . 1 1 31 31 ILE H . . . 1 1 31 31 ILE N . . 0.876 0.058 . . . . . . . . . . 6495 1 31 . 1 1 32 32 ILE H . . . 1 1 32 32 ILE N . . 0.805 0.040 . . . . . . . . . . 6495 1 32 . 1 1 33 33 GLU H . . . 1 1 33 33 GLU N . . 0.808 0.040 . . . . . . . . . . 6495 1 33 . 1 1 34 34 GLU H . . . 1 1 34 34 GLU N . . 0.839 0.042 . . . . . . . . . . 6495 1 34 . 1 1 35 35 ASN H . . . 1 1 35 35 ASN N . . 1.000 0.052 . . . . . . . . . . 6495 1 35 . 1 1 36 36 HIS H . . . 1 1 36 36 HIS N . . 0.792 0.040 . . . . . . . . . . 6495 1 36 . 1 1 37 37 THR H . . . 1 1 37 37 THR N . . 0.751 0.038 . . . . . . . . . . 6495 1 37 . 1 1 38 38 LYS H . . . 1 1 38 38 LYS N . . 0.741 0.037 . . . . . . . . . . 6495 1 38 . 1 1 40 40 GLU H . . . 1 1 40 40 GLU N . . 0.774 0.039 . . . . . . . . . . 6495 1 39 . 1 1 41 41 ASP H . . . 1 1 41 41 ASP N . . 0.765 0.038 . . . . . . . . . . 6495 1 40 . 1 1 42 42 VAL H . . . 1 1 42 42 VAL N . . 0.827 0.041 . . . . . . . . . . 6495 1 41 . 1 1 43 43 VAL H . . . 1 1 43 43 VAL N . . 0.827 0.081 . . . . . . . . . . 6495 1 42 . 1 1 44 44 GLN H . . . 1 1 44 44 GLN N . . 0.847 0.241 . . . . . . . . . . 6495 1 43 . 1 1 45 45 MET H . . . 1 1 45 45 MET N . . 0.820 0.041 . . . . . . . . . . 6495 1 44 . 1 1 46 46 LEU H . . . 1 1 46 46 LEU N . . 0.856 0.052 . . . . . . . . . . 6495 1 45 . 1 1 47 47 LEU H . . . 1 1 47 47 LEU N . . 0.959 0.078 . . . . . . . . . . 6495 1 46 . 1 1 48 48 SER H . . . 1 1 48 48 SER N . . 0.789 0.046 . . . . . . . . . . 6495 1 47 . 1 1 49 49 ALA H . . . 1 1 49 49 ALA N . . 0.784 0.049 . . . . . . . . . . 6495 1 48 . 1 1 50 50 THR H . . . 1 1 50 50 THR N . . 0.716 0.040 . . . . . . . . . . 6495 1 49 . 1 1 52 52 ASP H . . . 1 1 52 52 ASP N . . 0.796 0.040 . . . . . . . . . . 6495 1 50 . 1 1 53 53 LEU H . . . 1 1 53 53 LEU N . . 0.772 0.092 . . . . . . . . . . 6495 1 51 . 1 1 54 54 HIS H . . . 1 1 54 54 HIS N . . 0.798 0.066 . . . . . . . . . . 6495 1 52 . 1 1 55 55 ALA H . . . 1 1 55 55 ALA N . . 0.824 0.041 . . . . . . . . . . 6495 1 53 . 1 1 56 56 VAL H . . . 1 1 56 56 VAL N . . 0.820 0.069 . . . . . . . . . . 6495 1 54 . 1 1 57 57 PHE H . . . 1 1 57 57 PHE N . . 0.774 0.048 . . . . . . . . . . 6495 1 55 . 1 1 59 59 ALA H . . . 1 1 59 59 ALA N . . 1.090 0.202 . . . . . . . . . . 6495 1 56 . 1 1 60 60 LYS H . . . 1 1 60 60 LYS N . . 0.813 0.093 . . . . . . . . . . 6495 1 57 . 1 1 61 61 ALA H . . . 1 1 61 61 ALA N . . 0.850 0.042 . . . . . . . . . . 6495 1 58 . 1 1 62 62 VAL H . . . 1 1 62 62 VAL N . . 0.720 0.095 . . . . . . . . . . 6495 1 59 . 1 1 63 63 ARG H . . . 1 1 63 63 ARG N . . 0.792 0.069 . . . . . . . . . . 6495 1 60 . 1 1 64 64 GLU H . . . 1 1 64 64 GLU N . . 0.965 0.052 . . . . . . . . . . 6495 1 61 . 1 1 65 65 LEU H . . . 1 1 65 65 LEU N . . 0.754 0.082 . . . . . . . . . . 6495 1 62 . 1 1 66 66 SER H . . . 1 1 66 66 SER N . . 0.583 0.062 . . . . . . . . . . 6495 1 63 . 1 1 68 68 TRP H . . . 1 1 68 68 TRP N . . 0.744 0.037 . . . . . . . . . . 6495 1 64 . 1 1 69 69 GLN H . . . 1 1 69 69 GLN N . . 0.785 0.039 . . . . . . . . . . 6495 1 65 . 1 1 70 70 TYR H . . . 1 1 70 70 TYR N . . 0.790 0.040 . . . . . . . . . . 6495 1 66 . 1 1 71 71 VAL H . . . 1 1 71 71 VAL N . . 0.791 0.094 . . . . . . . . . . 6495 1 67 . 1 1 73 73 VAL H . . . 1 1 73 73 VAL N . . 0.879 0.061 . . . . . . . . . . 6495 1 68 . 1 1 74 74 THR H . . . 1 1 74 74 THR N . . 0.842 0.046 . . . . . . . . . . 6495 1 69 . 1 1 76 76 MET H . . . 1 1 76 76 MET N . . 0.870 0.073 . . . . . . . . . . 6495 1 70 . 1 1 77 77 GLN H . . . 1 1 77 77 GLN N . . 0.659 0.057 . . . . . . . . . . 6495 1 71 . 1 1 78 78 GLU H . . . 1 1 78 78 GLU N . . 0.967 0.122 . . . . . . . . . . 6495 1 72 . 1 1 79 79 MET H . . . 1 1 79 79 MET N . . 0.857 0.070 . . . . . . . . . . 6495 1 73 . 1 1 80 80 ASP H . . . 1 1 80 80 ASP N . . 0.723 0.041 . . . . . . . . . . 6495 1 74 . 1 1 81 81 VAL H . . . 1 1 81 81 VAL N . . 0.710 0.143 . . . . . . . . . . 6495 1 75 . 1 1 82 82 THR H . . . 1 1 82 82 THR N . . 0.764 0.038 . . . . . . . . . . 6495 1 76 . 1 1 84 84 GLY H . . . 1 1 84 84 GLY N . . 0.736 0.037 . . . . . . . . . . 6495 1 77 . 1 1 85 85 LEU H . . . 1 1 85 85 LEU N . . 0.728 0.036 . . . . . . . . . . 6495 1 78 . 1 1 86 86 LYS H . . . 1 1 86 86 LYS N . . 0.713 0.036 . . . . . . . . . . 6495 1 79 . 1 1 87 87 LYS H . . . 1 1 87 87 LYS N . . 0.777 0.067 . . . . . . . . . . 6495 1 80 . 1 1 88 88 CYS H . . . 1 1 88 88 CYS N . . 0.844 0.042 . . . . . . . . . . 6495 1 81 . 1 1 89 89 ILE H . . . 1 1 89 89 ILE N . . 0.820 0.048 . . . . . . . . . . 6495 1 82 . 1 1 90 90 ARG H . . . 1 1 90 90 ARG N . . 0.890 0.069 . . . . . . . . . . 6495 1 83 . 1 1 92 92 MET H . . . 1 1 92 92 MET N . . 0.848 0.064 . . . . . . . . . . 6495 1 84 . 1 1 93 93 MET H . . . 1 1 93 93 MET N . . 0.807 0.066 . . . . . . . . . . 6495 1 85 . 1 1 94 94 THR H . . . 1 1 94 94 THR N . . 0.730 0.049 . . . . . . . . . . 6495 1 86 . 1 1 95 95 VAL H . . . 1 1 95 95 VAL N . . 0.816 0.044 . . . . . . . . . . 6495 1 87 . 1 1 96 96 GLN H . . . 1 1 96 96 GLN N . . 0.783 0.062 . . . . . . . . . . 6495 1 88 . 1 1 97 97 THR H . . . 1 1 97 97 THR N . . 0.750 0.038 . . . . . . . . . . 6495 1 89 . 1 1 98 98 ASP H . . . 1 1 98 98 ASP N . . 0.677 0.039 . . . . . . . . . . 6495 1 90 . 1 1 99 99 VAL H . . . 1 1 99 99 VAL N . . 0.768 0.039 . . . . . . . . . . 6495 1 91 . 1 1 101 101 GLN H . . . 1 1 101 101 GLN N . . 0.792 0.040 . . . . . . . . . . 6495 1 92 . 1 1 102 102 ASP H . . . 1 1 102 102 ASP N . . 0.815 0.041 . . . . . . . . . . 6495 1 93 . 1 1 103 103 GLN H . . . 1 1 103 103 GLN N . . 0.783 0.039 . . . . . . . . . . 6495 1 94 . 1 1 104 104 ILE H . . . 1 1 104 104 ILE N . . 0.806 0.077 . . . . . . . . . . 6495 1 95 . 1 1 105 105 ARG H . . . 1 1 105 105 ARG N . . 0.767 0.048 . . . . . . . . . . 6495 1 96 . 1 1 106 106 HIS H . . . 1 1 106 106 HIS N . . 0.726 0.036 . . . . . . . . . . 6495 1 97 . 1 1 107 107 VAL H . . . 1 1 107 107 VAL N . . 0.601 0.036 . . . . . . . . . . 6495 1 98 . 1 1 108 108 TYR H . . . 1 1 108 108 TYR N . . 0.768 0.039 . . . . . . . . . . 6495 1 99 . 1 1 109 109 LEU H . . . 1 1 109 109 LEU N . . 0.818 0.054 . . . . . . . . . . 6495 1 100 . 1 1 110 110 GLU H . . . 1 1 110 110 GLU N . . 0.760 0.038 . . . . . . . . . . 6495 1 101 . 1 1 111 111 LYS H . . . 1 1 111 111 LYS N . . 0.852 0.079 . . . . . . . . . . 6495 1 102 . 1 1 112 112 ALA H . . . 1 1 112 112 ALA N . . 0.851 0.043 . . . . . . . . . . 6495 1 103 . 1 1 113 113 VAL H . . . 1 1 113 113 VAL N . . 0.926 0.136 . . . . . . . . . . 6495 1 104 . 1 1 114 114 VAL H . . . 1 1 114 114 VAL N . . 0.813 0.068 . . . . . . . . . . 6495 1 105 . 1 1 115 115 LEU H . . . 1 1 115 115 LEU N . . 0.835 0.043 . . . . . . . . . . 6495 1 106 . 1 1 116 116 ARG H . . . 1 1 116 116 ARG N . . 0.759 0.038 . . . . . . . . . . 6495 1 107 . 1 1 118 118 ASP H . . . 1 1 118 118 ASP N . . 0.632 0.032 . . . . . . . . . . 6495 1 108 . 1 1 119 119 LEU H . . . 1 1 119 119 LEU N . . 0.626 0.031 . . . . . . . . . . 6495 1 109 . 1 1 120 120 SER H . . . 1 1 120 120 SER N . . 0.291 0.015 . . . . . . . . . . 6495 1 110 . 1 1 121 121 LEU H . . . 1 1 121 121 LEU N . . 0.334 0.017 . . . . . . . . . . 6495 1 111 . 1 1 122 122 THR H . . . 1 1 122 122 THR N . . 0.187 0.009 . . . . . . . . . . 6495 1 112 . 1 1 123 123 LYS H . . . 1 1 123 123 LYS N . . 0.027 0.035 . . . . . . . . . . 6495 1 113 . 1 1 125 125 THR H . . . 1 1 125 125 THR N . . -0.157 0.033 . . . . . . . . . . 6495 1 114 . 1 1 126 126 GLU H . . . 1 1 126 126 GLU N . . -0.428 0.021 . . . . . . . . . . 6495 1 115 . 1 1 127 127 LEU H . . . 1 1 127 127 LEU N . . -1.050 0.053 . . . . . . . . . . 6495 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 6495 _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 $15N_BsCM_TSA . 6495 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 . . 1.169 0.029 . . . . . 6495 1 2 . 1 1 3 3 ILE N . . 2.245 0.126 . . . . . 6495 1 3 . 1 1 4 4 ARG N . . 2.226 0.116 . . . . . 6495 1 4 . 1 1 5 5 GLY N . . 2.133 0.323 . . . . . 6495 1 5 . 1 1 6 6 ILE N . . 2.327 0.108 . . . . . 6495 1 6 . 1 1 7 7 ARG N . . 2.327 0.157 . . . . . 6495 1 7 . 1 1 8 8 GLY N . . 2.315 0.229 . . . . . 6495 1 8 . 1 1 9 9 ALA N . . 2.130 0.076 . . . . . 6495 1 9 . 1 1 10 10 THR N . . 2.209 0.109 . . . . . 6495 1 10 . 1 1 11 11 THR N . . 2.186 0.097 . . . . . 6495 1 11 . 1 1 12 12 VAL N . . 2.268 0.134 . . . . . 6495 1 12 . 1 1 13 13 GLU N . . 2.113 0.083 . . . . . 6495 1 13 . 1 1 14 14 ARG N . . 1.780 0.022 . . . . . 6495 1 14 . 1 1 15 15 ASP N . . 1.779 0.123 . . . . . 6495 1 15 . 1 1 16 16 THR N . . 2.524 0.024 . . . . . 6495 1 16 . 1 1 17 17 GLU N . . 2.137 0.026 . . . . . 6495 1 17 . 1 1 18 18 GLU N . . 1.948 0.037 . . . . . 6495 1 18 . 1 1 19 19 GLU N . . 2.088 0.036 . . . . . 6495 1 19 . 1 1 20 20 ILE N . . 2.436 0.078 . . . . . 6495 1 20 . 1 1 21 21 LEU N . . 2.038 0.039 . . . . . 6495 1 21 . 1 1 22 22 GLN N . . 2.167 0.038 . . . . . 6495 1 22 . 1 1 23 23 LYS N . . 2.303 0.075 . . . . . 6495 1 23 . 1 1 24 24 THR N . . 2.227 0.043 . . . . . 6495 1 24 . 1 1 25 25 LYS N . . 2.132 0.042 . . . . . 6495 1 25 . 1 1 26 26 GLN N . . 1.941 0.069 . . . . . 6495 1 26 . 1 1 27 27 LEU N . . 2.119 0.097 . . . . . 6495 1 27 . 1 1 28 28 LEU N . . 2.183 0.021 . . . . . 6495 1 28 . 1 1 29 29 GLU N . . 2.418 0.049 . . . . . 6495 1 29 . 1 1 30 30 LYS N . . 2.013 0.055 . . . . . 6495 1 30 . 1 1 31 31 ILE N . . 2.120 0.076 . . . . . 6495 1 31 . 1 1 32 32 ILE N . . 2.181 0.108 . . . . . 6495 1 32 . 1 1 33 33 GLU N . . 2.136 0.031 . . . . . 6495 1 33 . 1 1 34 34 GLU N . . 2.289 0.043 . . . . . 6495 1 34 . 1 1 35 35 ASN N . . 2.424 0.086 . . . . . 6495 1 35 . 1 1 36 36 HIS N . . 2.152 0.050 . . . . . 6495 1 36 . 1 1 37 37 THR N . . 2.392 0.031 . . . . . 6495 1 37 . 1 1 38 38 LYS N . . 2.360 0.076 . . . . . 6495 1 38 . 1 1 40 40 GLU N . . 2.337 0.040 . . . . . 6495 1 39 . 1 1 41 41 ASP N . . 2.161 0.077 . . . . . 6495 1 40 . 1 1 42 42 VAL N . . 2.238 0.074 . . . . . 6495 1 41 . 1 1 43 43 VAL N . . 2.085 0.135 . . . . . 6495 1 42 . 1 1 44 44 GLN N . . 2.293 0.084 . . . . . 6495 1 43 . 1 1 45 45 MET N . . 1.962 0.070 . . . . . 6495 1 44 . 1 1 46 46 LEU N . . 2.082 0.126 . . . . . 6495 1 45 . 1 1 47 47 LEU N . . 2.134 0.125 . . . . . 6495 1 46 . 1 1 48 48 SER N . . 2.178 0.074 . . . . . 6495 1 47 . 1 1 49 49 ALA N . . 2.074 0.249 . . . . . 6495 1 48 . 1 1 50 50 THR N . . 1.907 0.119 . . . . . 6495 1 49 . 1 1 52 52 ASP N . . 1.892 0.052 . . . . . 6495 1 50 . 1 1 53 53 LEU N . . 2.315 0.117 . . . . . 6495 1 51 . 1 1 54 54 HIS N . . 2.506 0.134 . . . . . 6495 1 52 . 1 1 55 55 ALA N . . 2.410 0.073 . . . . . 6495 1 53 . 1 1 56 56 VAL N . . 2.291 0.055 . . . . . 6495 1 54 . 1 1 57 57 PHE N . . 2.138 0.065 . . . . . 6495 1 55 . 1 1 59 59 ALA N . . 1.777 0.227 . . . . . 6495 1 56 . 1 1 60 60 LYS N . . 1.948 0.044 . . . . . 6495 1 57 . 1 1 61 61 ALA N . . 2.148 0.069 . . . . . 6495 1 58 . 1 1 62 62 VAL N . . 2.231 0.072 . . . . . 6495 1 59 . 1 1 63 63 ARG N . . 1.885 0.088 . . . . . 6495 1 60 . 1 1 64 64 GLU N . . 2.040 0.056 . . . . . 6495 1 61 . 1 1 65 65 LEU N . . 2.074 0.051 . . . . . 6495 1 62 . 1 1 66 66 SER N . . 1.722 0.190 . . . . . 6495 1 63 . 1 1 68 68 TRP N . . 2.160 0.103 . . . . . 6495 1 64 . 1 1 69 69 GLN N . . 2.044 0.052 . . . . . 6495 1 65 . 1 1 70 70 TYR N . . 2.065 0.045 . . . . . 6495 1 66 . 1 1 71 71 VAL N . . 2.284 0.054 . . . . . 6495 1 67 . 1 1 73 73 VAL N . . 2.231 0.090 . . . . . 6495 1 68 . 1 1 74 74 THR N . . 2.395 0.097 . . . . . 6495 1 69 . 1 1 76 76 MET N . . 2.049 0.148 . . . . . 6495 1 70 . 1 1 77 77 GLN N . . 1.991 0.122 . . . . . 6495 1 71 . 1 1 78 78 GLU N . . 1.926 0.396 . . . . . 6495 1 72 . 1 1 79 79 MET N . . 2.164 0.165 . . . . . 6495 1 73 . 1 1 80 80 ASP N . . 2.223 0.099 . . . . . 6495 1 74 . 1 1 81 81 VAL N . . 2.285 0.132 . . . . . 6495 1 75 . 1 1 82 82 THR N . . 1.994 0.064 . . . . . 6495 1 76 . 1 1 84 84 GLY N . . 2.231 0.071 . . . . . 6495 1 77 . 1 1 85 85 LEU N . . 2.202 0.058 . . . . . 6495 1 78 . 1 1 86 86 LYS N . . 2.045 0.058 . . . . . 6495 1 79 . 1 1 87 87 LYS N . . 2.256 0.105 . . . . . 6495 1 80 . 1 1 88 88 CYS N . . 2.083 0.052 . . . . . 6495 1 81 . 1 1 89 89 ILE N . . 2.459 0.162 . . . . . 6495 1 82 . 1 1 90 90 ARG N . . 2.094 0.084 . . . . . 6495 1 83 . 1 1 91 91 VAL N . . 2.408 0.062 . . . . . 6495 1 84 . 1 1 92 92 MET N . . 2.089 0.096 . . . . . 6495 1 85 . 1 1 93 93 MET N . . 2.257 0.119 . . . . . 6495 1 86 . 1 1 94 94 THR N . . 2.391 0.138 . . . . . 6495 1 87 . 1 1 95 95 VAL N . . 2.302 0.124 . . . . . 6495 1 88 . 1 1 96 96 GLN N . . 2.132 0.081 . . . . . 6495 1 89 . 1 1 97 97 THR N . . 2.359 0.085 . . . . . 6495 1 90 . 1 1 98 98 ASP N . . 2.066 0.135 . . . . . 6495 1 91 . 1 1 99 99 VAL N . . 2.202 0.056 . . . . . 6495 1 92 . 1 1 101 101 GLN N . . 2.026 0.092 . . . . . 6495 1 93 . 1 1 102 102 ASP N . . 2.153 0.067 . . . . . 6495 1 94 . 1 1 103 103 GLN N . . 2.191 0.050 . . . . . 6495 1 95 . 1 1 104 104 ILE N . . 2.479 0.164 . . . . . 6495 1 96 . 1 1 105 105 ARG N . . 2.444 0.102 . . . . . 6495 1 97 . 1 1 106 106 HIS N . . 2.431 0.068 . . . . . 6495 1 98 . 1 1 107 107 VAL N . . 2.015 0.077 . . . . . 6495 1 99 . 1 1 108 108 TYR N . . 2.320 0.086 . . . . . 6495 1 100 . 1 1 109 109 LEU N . . 2.138 0.119 . . . . . 6495 1 101 . 1 1 110 110 GLU N . . 2.306 0.058 . . . . . 6495 1 102 . 1 1 111 111 LYS N . . 1.973 0.198 . . . . . 6495 1 103 . 1 1 112 112 ALA N . . 2.182 0.053 . . . . . 6495 1 104 . 1 1 113 113 VAL N . . 2.254 0.048 . . . . . 6495 1 105 . 1 1 114 114 VAL N . . 1.912 0.055 . . . . . 6495 1 106 . 1 1 115 115 LEU N . . 2.207 0.085 . . . . . 6495 1 107 . 1 1 116 116 ARG N . . 2.370 0.034 . . . . . 6495 1 108 . 1 1 118 118 ASP N . . 1.640 0.046 . . . . . 6495 1 109 . 1 1 119 119 LEU N . . 1.647 0.044 . . . . . 6495 1 110 . 1 1 120 120 SER N . . 1.172 0.022 . . . . . 6495 1 111 . 1 1 121 121 LEU N . . 0.813 0.020 . . . . . 6495 1 112 . 1 1 122 122 THR N . . 0.643 0.039 . . . . . 6495 1 113 . 1 1 123 123 LYS N . . 0.785 0.109 . . . . . 6495 1 114 . 1 1 125 125 THR N . . 0.719 0.022 . . . . . 6495 1 115 . 1 1 126 126 GLU N . . 0.679 0.015 . . . . . 6495 1 116 . 1 1 127 127 LEU N . . 0.954 0.001 . . . . . 6495 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 6495 _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 $15N_BsCM_TSA . 6495 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 . . 1.430 0.056 . . . . . 6495 2 2 . 1 1 3 3 ILE N . . 2.800 0.124 . . . . . 6495 2 3 . 1 1 4 4 ARG N . . 3.367 0.223 . . . . . 6495 2 4 . 1 1 5 5 GLY N . . 3.553 0.145 . . . . . 6495 2 5 . 1 1 6 6 ILE N . . 3.699 0.220 . . . . . 6495 2 6 . 1 1 7 7 ARG N . . 3.820 0.509 . . . . . 6495 2 7 . 1 1 8 8 GLY N . . 3.650 0.523 . . . . . 6495 2 8 . 1 1 9 9 ALA N . . 3.441 0.146 . . . . . 6495 2 9 . 1 1 10 10 THR N . . 3.393 0.165 . . . . . 6495 2 10 . 1 1 11 11 THR N . . 3.308 0.192 . . . . . 6495 2 11 . 1 1 12 12 VAL N . . 3.117 0.078 . . . . . 6495 2 12 . 1 1 13 13 GLU N . . 2.686 0.101 . . . . . 6495 2 13 . 1 1 14 14 ARG N . . 2.390 0.052 . . . . . 6495 2 14 . 1 1 15 15 ASP N . . 2.735 0.333 . . . . . 6495 2 15 . 1 1 16 16 THR N . . 3.387 0.107 . . . . . 6495 2 16 . 1 1 17 17 GLU N . . 3.306 0.107 . . . . . 6495 2 17 . 1 1 18 18 GLU N . . 3.269 0.176 . . . . . 6495 2 18 . 1 1 19 19 GLU N . . 2.821 0.073 . . . . . 6495 2 19 . 1 1 20 20 ILE N . . 3.204 0.110 . . . . . 6495 2 20 . 1 1 21 21 LEU N . . 2.790 0.143 . . . . . 6495 2 21 . 1 1 22 22 GLN N . . 3.088 0.097 . . . . . 6495 2 22 . 1 1 23 23 LYS N . . 3.207 0.075 . . . . . 6495 2 23 . 1 1 24 24 THR N . . 3.256 0.105 . . . . . 6495 2 24 . 1 1 25 25 LYS N . . 3.034 0.068 . . . . . 6495 2 25 . 1 1 26 26 GLN N . . 2.916 0.117 . . . . . 6495 2 26 . 1 1 27 27 LEU N . . 2.929 0.124 . . . . . 6495 2 27 . 1 1 28 28 LEU N . . 3.237 0.113 . . . . . 6495 2 28 . 1 1 29 29 GLU N . . 3.015 0.069 . . . . . 6495 2 29 . 1 1 30 30 LYS N . . 2.927 0.078 . . . . . 6495 2 30 . 1 1 31 31 ILE N . . 3.323 0.089 . . . . . 6495 2 31 . 1 1 32 32 ILE N . . 2.835 0.219 . . . . . 6495 2 32 . 1 1 33 33 GLU N . . 3.110 0.143 . . . . . 6495 2 33 . 1 1 34 34 GLU N . . 3.216 0.154 . . . . . 6495 2 34 . 1 1 35 35 ASN N . . 3.591 0.147 . . . . . 6495 2 35 . 1 1 36 36 HIS N . . 2.796 0.088 . . . . . 6495 2 36 . 1 1 37 37 THR N . . 3.122 0.121 . . . . . 6495 2 37 . 1 1 38 38 LYS N . . 3.055 0.120 . . . . . 6495 2 38 . 1 1 40 40 GLU N . . 3.418 0.093 . . . . . 6495 2 39 . 1 1 41 41 ASP N . . 3.006 0.126 . . . . . 6495 2 40 . 1 1 42 42 VAL N . . 2.983 0.148 . . . . . 6495 2 41 . 1 1 43 43 VAL N . . 2.949 0.210 . . . . . 6495 2 42 . 1 1 44 44 GLN N . . 3.408 0.337 . . . . . 6495 2 43 . 1 1 45 45 MET N . . 3.207 0.075 . . . . . 6495 2 44 . 1 1 46 46 LEU N . . 3.121 0.202 . . . . . 6495 2 45 . 1 1 47 47 LEU N . . 3.183 0.124 . . . . . 6495 2 46 . 1 1 48 48 SER N . . 3.638 0.182 . . . . . 6495 2 47 . 1 1 49 49 ALA N . . 3.152 0.302 . . . . . 6495 2 48 . 1 1 50 50 THR N . . 2.869 0.143 . . . . . 6495 2 49 . 1 1 52 52 ASP N . . 3.560 0.116 . . . . . 6495 2 50 . 1 1 53 53 LEU N . . 3.445 0.080 . . . . . 6495 2 51 . 1 1 54 54 HIS N . . 3.752 0.273 . . . . . 6495 2 52 . 1 1 55 55 ALA N . . 3.514 0.210 . . . . . 6495 2 53 . 1 1 56 56 VAL N . . 3.431 0.090 . . . . . 6495 2 54 . 1 1 57 57 PHE N . . 3.335 0.261 . . . . . 6495 2 55 . 1 1 59 59 ALA N . . 2.471 0.497 . . . . . 6495 2 56 . 1 1 60 60 LYS N . . 2.817 0.129 . . . . . 6495 2 57 . 1 1 61 61 ALA N . . 2.756 0.116 . . . . . 6495 2 58 . 1 1 62 62 VAL N . . 2.820 0.117 . . . . . 6495 2 59 . 1 1 63 63 ARG N . . 2.711 0.107 . . . . . 6495 2 60 . 1 1 64 64 GLU N . . 3.026 0.176 . . . . . 6495 2 61 . 1 1 65 65 LEU N . . 2.888 0.071 . . . . . 6495 2 62 . 1 1 66 66 SER N . . 2.726 0.531 . . . . . 6495 2 63 . 1 1 68 68 TRP N . . 3.597 0.162 . . . . . 6495 2 64 . 1 1 69 69 GLN N . . 3.071 0.238 . . . . . 6495 2 65 . 1 1 70 70 TYR N . . 2.953 0.074 . . . . . 6495 2 66 . 1 1 71 71 VAL N . . 3.425 0.116 . . . . . 6495 2 67 . 1 1 73 73 VAL N . . 3.034 0.175 . . . . . 6495 2 68 . 1 1 74 74 THR N . . 3.211 0.224 . . . . . 6495 2 69 . 1 1 76 76 MET N . . 3.620 0.283 . . . . . 6495 2 70 . 1 1 77 77 GLN N . . 2.669 0.333 . . . . . 6495 2 71 . 1 1 78 78 GLU N . . 4.197 1.274 . . . . . 6495 2 72 . 1 1 79 79 MET N . . 3.173 0.507 . . . . . 6495 2 73 . 1 1 80 80 ASP N . . 2.996 0.130 . . . . . 6495 2 74 . 1 1 81 81 VAL N . . 3.604 0.137 . . . . . 6495 2 75 . 1 1 82 82 THR N . . 2.711 0.218 . . . . . 6495 2 76 . 1 1 84 84 GLY N . . 3.140 0.132 . . . . . 6495 2 77 . 1 1 85 85 LEU N . . 3.140 0.150 . . . . . 6495 2 78 . 1 1 86 86 LYS N . . 3.423 0.136 . . . . . 6495 2 79 . 1 1 87 87 LYS N . . 3.467 0.248 . . . . . 6495 2 80 . 1 1 88 88 CYS N . . 3.531 0.204 . . . . . 6495 2 81 . 1 1 89 89 ILE N . . 3.545 0.293 . . . . . 6495 2 82 . 1 1 90 90 ARG N . . 3.277 0.217 . . . . . 6495 2 83 . 1 1 91 91 VAL N . . 3.271 0.242 . . . . . 6495 2 84 . 1 1 92 92 MET N . . 3.276 0.492 . . . . . 6495 2 85 . 1 1 93 93 MET N . . 2.997 0.390 . . . . . 6495 2 86 . 1 1 94 94 THR N . . 3.321 0.109 . . . . . 6495 2 87 . 1 1 95 95 VAL N . . 3.299 0.150 . . . . . 6495 2 88 . 1 1 96 96 GLN N . . 3.225 0.192 . . . . . 6495 2 89 . 1 1 97 97 THR N . . 3.392 0.173 . . . . . 6495 2 90 . 1 1 98 98 ASP N . . 3.404 0.192 . . . . . 6495 2 91 . 1 1 99 99 VAL N . . 3.458 0.219 . . . . . 6495 2 92 . 1 1 101 101 GLN N . . 2.873 0.111 . . . . . 6495 2 93 . 1 1 102 102 ASP N . . 3.056 0.112 . . . . . 6495 2 94 . 1 1 103 103 GLN N . . 3.139 0.208 . . . . . 6495 2 95 . 1 1 104 104 ILE N . . 3.334 0.107 . . . . . 6495 2 96 . 1 1 105 105 ARG N . . 3.025 0.194 . . . . . 6495 2 97 . 1 1 106 106 HIS N . . 3.136 0.154 . . . . . 6495 2 98 . 1 1 107 107 VAL N . . 2.835 0.123 . . . . . 6495 2 99 . 1 1 108 108 TYR N . . 3.724 0.209 . . . . . 6495 2 100 . 1 1 109 109 LEU N . . 3.103 0.248 . . . . . 6495 2 101 . 1 1 110 110 GLU N . . 3.265 0.101 . . . . . 6495 2 102 . 1 1 111 111 LYS N . . 3.027 0.351 . . . . . 6495 2 103 . 1 1 112 112 ALA N . . 3.391 0.131 . . . . . 6495 2 104 . 1 1 113 113 VAL N . . 2.969 0.117 . . . . . 6495 2 105 . 1 1 114 114 VAL N . . 2.751 0.102 . . . . . 6495 2 106 . 1 1 115 115 LEU N . . 2.746 0.113 . . . . . 6495 2 107 . 1 1 116 116 ARG N . . 3.185 0.067 . . . . . 6495 2 108 . 1 1 118 118 ASP N . . 2.285 0.106 . . . . . 6495 2 109 . 1 1 119 119 LEU N . . 2.158 0.073 . . . . . 6495 2 110 . 1 1 120 120 SER N . . 1.470 0.052 . . . . . 6495 2 111 . 1 1 121 121 LEU N . . 1.104 0.030 . . . . . 6495 2 112 . 1 1 122 122 THR N . . 0.827 0.030 . . . . . 6495 2 113 . 1 1 123 123 LYS N . . 0.737 0.035 . . . . . 6495 2 114 . 1 1 125 125 THR N . . 0.939 0.054 . . . . . 6495 2 115 . 1 1 126 126 GLU N . . 0.672 0.024 . . . . . 6495 2 116 . 1 1 127 127 LEU N . . 0.982 0.001 . . . . . 6495 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 6495 _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 . . 2 $DL-BsCM . 6495 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 . . 0.0357 0.0013 . . . . . . . 6495 1 2 . 1 1 3 3 ILE N . . 0.0188 0.0013 . . . . . . . 6495 1 3 . 1 1 4 4 ARG N . . 0.0233 0.0008 . . . . . . . 6495 1 4 . 1 1 5 5 GLY N . . 0.0199 0.0046 . . . . . . . 6495 1 5 . 1 1 6 6 ILE N . . 0.0232 0.0010 . . . . . . . 6495 1 6 . 1 1 7 7 ARG N . . 0.0170 0.0010 . . . . . . . 6495 1 7 . 1 1 8 8 GLY N . . 0.0184 0.0017 . . . . . . . 6495 1 8 . 1 1 9 9 ALA N . . 0.0227 0.0010 . . . . . . . 6495 1 9 . 1 1 10 10 THR N . . 0.0232 0.0007 . . . . . . . 6495 1 10 . 1 1 11 11 THR N . . 0.0222 0.0018 . . . . . . . 6495 1 11 . 1 1 12 12 VAL N . . 0.0236 0.0014 . . . . . . . 6495 1 12 . 1 1 13 13 GLU N . . 0.0260 0.0006 . . . . . . . 6495 1 13 . 1 1 14 14 ARG N . . 0.0251 0.0006 . . . . . . . 6495 1 14 . 1 1 15 15 ASP N . . 0.0199 0.0017 . . . . . . . 6495 1 15 . 1 1 16 16 THR N . . 0.0217 0.0005 . . . . . . . 6495 1 16 . 1 1 17 17 GLU N . . 0.0246 0.0010 . . . . . . . 6495 1 17 . 1 1 18 18 GLU N . . 0.0258 0.0007 . . . . . . . 6495 1 18 . 1 1 19 19 GLU N . . 0.0213 0.0003 . . . . . . . 6495 1 19 . 1 1 20 20 ILE N . . 0.0222 0.0007 . . . . . . . 6495 1 20 . 1 1 21 21 LEU N . . 0.0234 0.0005 . . . . . . . 6495 1 21 . 1 1 22 22 GLN N . . 0.0217 0.0010 . . . . . . . 6495 1 22 . 1 1 23 23 LYS N . . 0.0237 0.0012 . . . . . . . 6495 1 23 . 1 1 24 24 THR N . . 0.0218 0.0006 . . . . . . . 6495 1 24 . 1 1 25 25 LYS N . . 0.0232 0.0008 . . . . . . . 6495 1 25 . 1 1 26 26 GLN N . . 0.0227 0.0011 . . . . . . . 6495 1 26 . 1 1 27 27 LEU N . . 0.0216 0.0009 . . . . . . . 6495 1 27 . 1 1 28 28 LEU N . . 0.0220 0.0008 . . . . . . . 6495 1 28 . 1 1 29 29 GLU N . . 0.0238 0.0003 . . . . . . . 6495 1 29 . 1 1 30 30 LYS N . . 0.0218 0.0007 . . . . . . . 6495 1 30 . 1 1 31 31 ILE N . . 0.0216 0.0006 . . . . . . . 6495 1 31 . 1 1 32 32 ILE N . . 0.0194 0.0008 . . . . . . . 6495 1 32 . 1 1 33 33 GLU N . . 0.0209 0.0006 . . . . . . . 6495 1 33 . 1 1 34 34 GLU N . . 0.0221 0.0007 . . . . . . . 6495 1 34 . 1 1 35 35 ASN N . . 0.0209 0.0013 . . . . . . . 6495 1 35 . 1 1 36 36 HIS N . . 0.0206 0.0009 . . . . . . . 6495 1 36 . 1 1 37 37 THR N . . 0.0217 0.0005 . . . . . . . 6495 1 37 . 1 1 38 38 LYS N . . 0.0241 0.0008 . . . . . . . 6495 1 38 . 1 1 40 40 GLU N . . 0.0237 0.0004 . . . . . . . 6495 1 39 . 1 1 41 41 ASP N . . 0.0210 0.0007 . . . . . . . 6495 1 40 . 1 1 42 42 VAL N . . 0.0195 0.0008 . . . . . . . 6495 1 41 . 1 1 43 43 VAL N . . 0.0238 0.0017 . . . . . . . 6495 1 42 . 1 1 44 44 GLN N . . 0.0182 0.0006 . . . . . . . 6495 1 43 . 1 1 45 45 MET N . . 0.0259 0.0005 . . . . . . . 6495 1 44 . 1 1 46 46 LEU N . . 0.0205 0.0009 . . . . . . . 6495 1 45 . 1 1 47 47 LEU N . . 0.0270 0.0025 . . . . . . . 6495 1 46 . 1 1 48 48 SER N . . 0.0215 0.0005 . . . . . . . 6495 1 47 . 1 1 49 49 ALA N . . 0.0192 0.0028 . . . . . . . 6495 1 48 . 1 1 50 50 THR N . . 0.0209 0.0042 . . . . . . . 6495 1 49 . 1 1 52 52 ASP N . . 0.0225 0.0032 . . . . . . . 6495 1 50 . 1 1 53 53 LEU N . . 0.0246 0.0019 . . . . . . . 6495 1 51 . 1 1 54 54 HIS N . . 0.0261 0.0009 . . . . . . . 6495 1 52 . 1 1 55 55 ALA N . . 0.0240 0.0006 . . . . . . . 6495 1 53 . 1 1 56 56 VAL N . . 0.0215 0.0008 . . . . . . . 6495 1 54 . 1 1 57 57 PHE N . . 0.0207 0.0010 . . . . . . . 6495 1 55 . 1 1 59 59 ALA N . . 0.0171 0.0017 . . . . . . . 6495 1 56 . 1 1 60 60 LYS N . . 0.0202 0.0009 . . . . . . . 6495 1 57 . 1 1 61 61 ALA N . . 0.0214 0.0008 . . . . . . . 6495 1 58 . 1 1 62 62 VAL N . . 0.0193 0.0009 . . . . . . . 6495 1 59 . 1 1 63 63 ARG N . . 0.0231 0.0010 . . . . . . . 6495 1 60 . 1 1 64 64 GLU N . . 0.0192 0.0022 . . . . . . . 6495 1 61 . 1 1 65 65 LEU N . . 0.0216 0.0006 . . . . . . . 6495 1 62 . 1 1 66 66 SER N . . 0.0187 0.0009 . . . . . . . 6495 1 63 . 1 1 68 68 TRP N . . 0.0194 0.0015 . . . . . . . 6495 1 64 . 1 1 69 69 GLN N . . 0.0233 0.0004 . . . . . . . 6495 1 65 . 1 1 70 70 TYR N . . 0.0230 0.0006 . . . . . . . 6495 1 66 . 1 1 71 71 VAL N . . 0.0199 0.0005 . . . . . . . 6495 1 67 . 1 1 73 73 VAL N . . 0.0232 0.0008 . . . . . . . 6495 1 68 . 1 1 74 74 THR N . . 0.0201 0.0012 . . . . . . . 6495 1 69 . 1 1 76 76 MET N . . 0.0238 0.0036 . . . . . . . 6495 1 70 . 1 1 77 77 GLN N . . 0.0184 0.0018 . . . . . . . 6495 1 71 . 1 1 78 78 GLU N . . 0.0168 0.0054 . . . . . . . 6495 1 72 . 1 1 79 79 MET N . . 0.0183 0.0012 . . . . . . . 6495 1 73 . 1 1 80 80 ASP N . . 0.0230 0.0006 . . . . . . . 6495 1 74 . 1 1 81 81 VAL N . . 0.0225 0.0015 . . . . . . . 6495 1 75 . 1 1 82 82 THR N . . 0.0234 0.0012 . . . . . . . 6495 1 76 . 1 1 84 84 GLY N . . 0.0220 0.0005 . . . . . . . 6495 1 77 . 1 1 85 85 LEU N . . 0.0243 0.0024 . . . . . . . 6495 1 78 . 1 1 86 86 LYS N . . 0.0226 0.0009 . . . . . . . 6495 1 79 . 1 1 87 87 LYS N . . 0.0245 0.0007 . . . . . . . 6495 1 80 . 1 1 88 88 CYS N . . 0.0229 0.0006 . . . . . . . 6495 1 81 . 1 1 89 89 ILE N . . 0.0241 0.0008 . . . . . . . 6495 1 82 . 1 1 90 90 ARG N . . 0.0208 0.0010 . . . . . . . 6495 1 83 . 1 1 91 91 VAL N . . 0.0199 0.0005 . . . . . . . 6495 1 84 . 1 1 92 92 MET N . . 0.0207 0.0007 . . . . . . . 6495 1 85 . 1 1 93 93 MET N . . 0.0198 0.0012 . . . . . . . 6495 1 86 . 1 1 94 94 THR N . . 0.0242 0.0011 . . . . . . . 6495 1 87 . 1 1 95 95 VAL N . . 0.0226 0.0005 . . . . . . . 6495 1 88 . 1 1 96 96 GLN N . . 0.0223 0.0006 . . . . . . . 6495 1 89 . 1 1 97 97 THR N . . 0.0226 0.0007 . . . . . . . 6495 1 90 . 1 1 98 98 ASP N . . 0.0219 0.0014 . . . . . . . 6495 1 91 . 1 1 99 99 VAL N . . 0.0199 0.0005 . . . . . . . 6495 1 92 . 1 1 101 101 GLN N . . 0.0236 0.0007 . . . . . . . 6495 1 93 . 1 1 102 102 ASP N . . 0.0240 0.0009 . . . . . . . 6495 1 94 . 1 1 103 103 GLN N . . 0.0215 0.0010 . . . . . . . 6495 1 95 . 1 1 104 104 ILE N . . 0.0203 0.0010 . . . . . . . 6495 1 96 . 1 1 105 105 ARG N . . 0.0188 0.0011 . . . . . . . 6495 1 97 . 1 1 106 106 HIS N . . 0.0238 0.0011 . . . . . . . 6495 1 98 . 1 1 108 108 TYR N . . 0.0238 0.0013 . . . . . . . 6495 1 99 . 1 1 109 109 LEU N . . 0.0215 0.0012 . . . . . . . 6495 1 100 . 1 1 110 110 GLU N . . 0.0244 0.0004 . . . . . . . 6495 1 101 . 1 1 111 111 LYS N . . 0.0197 0.0010 . . . . . . . 6495 1 102 . 1 1 112 112 ALA N . . 0.0214 0.0004 . . . . . . . 6495 1 103 . 1 1 113 113 VAL N . . 0.0204 0.0017 . . . . . . . 6495 1 104 . 1 1 114 114 VAL N . . 0.0200 0.0008 . . . . . . . 6495 1 105 . 1 1 115 115 LEU N . . 0.0197 0.0014 . . . . . . . 6495 1 106 . 1 1 116 116 ARG N . . 0.0227 0.0004 . . . . . . . 6495 1 107 . 1 1 118 118 ASP N . . 0.0245 0.0004 . . . . . . . 6495 1 108 . 1 1 119 119 LEU N . . 0.0226 0.0005 . . . . . . . 6495 1 109 . 1 1 120 120 SER N . . 0.0314 0.0013 . . . . . . . 6495 1 110 . 1 1 121 121 LEU N . . 0.0428 0.0017 . . . . . . . 6495 1 111 . 1 1 122 122 THR N . . 0.0600 0.0028 . . . . . . . 6495 1 112 . 1 1 123 123 LYS N . . 0.0514 0.0115 . . . . . . . 6495 1 113 . 1 1 125 125 THR N . . 0.0627 0.0034 . . . . . . . 6495 1 114 . 1 1 126 126 GLU N . . 0.1380 0.0074 . . . . . . . 6495 1 115 . 1 1 127 127 LEU N . . 0.1674 0.0145 . . . . . . . 6495 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 6495 _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 . . 2 $DL-BsCM . 6495 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 . . 0.0340 0.0015 . . . . . . . 6495 2 2 . 1 1 3 3 ILE N . . 0.0172 0.0015 . . . . . . . 6495 2 3 . 1 1 4 4 ARG N . . 0.0231 0.0013 . . . . . . . 6495 2 4 . 1 1 5 5 GLY N . . 0.0160 0.0019 . . . . . . . 6495 2 5 . 1 1 6 6 ILE N . . 0.0202 0.0012 . . . . . . . 6495 2 6 . 1 1 7 7 ARG N . . 0.0158 0.0018 . . . . . . . 6495 2 7 . 1 1 9 9 ALA N . . 0.0220 0.0014 . . . . . . . 6495 2 8 . 1 1 10 10 THR N . . 0.0210 0.0010 . . . . . . . 6495 2 9 . 1 1 11 11 THR N . . 0.0201 0.0009 . . . . . . . 6495 2 10 . 1 1 12 12 VAL N . . 0.0190 0.0011 . . . . . . . 6495 2 11 . 1 1 13 13 GLU N . . 0.0225 0.0009 . . . . . . . 6495 2 12 . 1 1 14 14 ARG N . . 0.0210 0.0006 . . . . . . . 6495 2 13 . 1 1 15 15 ASP N . . 0.0187 0.0047 . . . . . . . 6495 2 14 . 1 1 16 16 THR N . . 0.0190 0.0010 . . . . . . . 6495 2 15 . 1 1 17 17 GLU N . . 0.0214 0.0009 . . . . . . . 6495 2 16 . 1 1 18 18 GLU N . . 0.0221 0.0008 . . . . . . . 6495 2 17 . 1 1 19 19 GLU N . . 0.0184 0.0006 . . . . . . . 6495 2 18 . 1 1 20 20 ILE N . . 0.0189 0.0006 . . . . . . . 6495 2 19 . 1 1 21 21 LEU N . . 0.0210 0.0010 . . . . . . . 6495 2 20 . 1 1 22 22 GLN N . . 0.0212 0.0009 . . . . . . . 6495 2 21 . 1 1 23 23 LYS N . . 0.0205 0.0010 . . . . . . . 6495 2 22 . 1 1 24 24 THR N . . 0.0189 0.0013 . . . . . . . 6495 2 23 . 1 1 25 25 LYS N . . 0.0208 0.0006 . . . . . . . 6495 2 24 . 1 1 26 26 GLN N . . 0.0217 0.0010 . . . . . . . 6495 2 25 . 1 1 27 27 LEU N . . 0.0159 0.0005 . . . . . . . 6495 2 26 . 1 1 28 28 LEU N . . 0.0193 0.0005 . . . . . . . 6495 2 27 . 1 1 29 29 GLU N . . 0.0208 0.0006 . . . . . . . 6495 2 28 . 1 1 30 30 LYS N . . 0.0169 0.0003 . . . . . . . 6495 2 29 . 1 1 31 31 ILE N . . 0.0198 0.0016 . . . . . . . 6495 2 30 . 1 1 32 32 ILE N . . 0.0164 0.0010 . . . . . . . 6495 2 31 . 1 1 33 33 GLU N . . 0.0178 0.0004 . . . . . . . 6495 2 32 . 1 1 34 34 GLU N . . 0.0204 0.0007 . . . . . . . 6495 2 33 . 1 1 35 35 ASN N . . 0.0189 0.0010 . . . . . . . 6495 2 34 . 1 1 36 36 HIS N . . 0.0171 0.0010 . . . . . . . 6495 2 35 . 1 1 37 37 THR N . . 0.0185 0.0004 . . . . . . . 6495 2 36 . 1 1 38 38 LYS N . . 0.0198 0.0007 . . . . . . . 6495 2 37 . 1 1 40 40 GLU N . . 0.0208 0.0008 . . . . . . . 6495 2 38 . 1 1 41 41 ASP N . . 0.0176 0.0009 . . . . . . . 6495 2 39 . 1 1 42 42 VAL N . . 0.0156 0.0008 . . . . . . . 6495 2 40 . 1 1 43 43 VAL N . . 0.0170 0.0013 . . . . . . . 6495 2 41 . 1 1 44 44 GLN N . . 0.0174 0.0016 . . . . . . . 6495 2 42 . 1 1 45 45 MET N . . 0.0226 0.0021 . . . . . . . 6495 2 43 . 1 1 46 46 LEU N . . 0.0171 0.0007 . . . . . . . 6495 2 44 . 1 1 47 47 LEU N . . 0.0200 0.0026 . . . . . . . 6495 2 45 . 1 1 48 48 SER N . . 0.0202 0.0011 . . . . . . . 6495 2 46 . 1 1 49 49 ALA N . . 0.0150 0.0019 . . . . . . . 6495 2 47 . 1 1 50 50 THR N . . 0.0233 0.0018 . . . . . . . 6495 2 48 . 1 1 52 52 ASP N . . 0.0190 0.0010 . . . . . . . 6495 2 49 . 1 1 53 53 LEU N . . 0.0182 0.0010 . . . . . . . 6495 2 50 . 1 1 54 54 HIS N . . 0.0199 0.0006 . . . . . . . 6495 2 51 . 1 1 55 55 ALA N . . 0.0189 0.0009 . . . . . . . 6495 2 52 . 1 1 56 56 VAL N . . 0.0184 0.0009 . . . . . . . 6495 2 53 . 1 1 57 57 PHE N . . 0.0159 0.0012 . . . . . . . 6495 2 54 . 1 1 59 59 ALA N . . 0.0166 0.0011 . . . . . . . 6495 2 55 . 1 1 60 60 LYS N . . 0.0160 0.0015 . . . . . . . 6495 2 56 . 1 1 61 61 ALA N . . 0.0178 0.0009 . . . . . . . 6495 2 57 . 1 1 62 62 VAL N . . 0.0185 0.0010 . . . . . . . 6495 2 58 . 1 1 63 63 ARG N . . 0.0197 0.0005 . . . . . . . 6495 2 59 . 1 1 64 64 GLU N . . 0.0169 0.0011 . . . . . . . 6495 2 60 . 1 1 65 65 LEU N . . 0.0178 0.0007 . . . . . . . 6495 2 61 . 1 1 66 66 SER N . . 0.0213 0.0011 . . . . . . . 6495 2 62 . 1 1 68 68 TRP N . . 0.0181 0.0012 . . . . . . . 6495 2 63 . 1 1 69 69 GLN N . . 0.0200 0.0016 . . . . . . . 6495 2 64 . 1 1 70 70 TYR N . . 0.0197 0.0011 . . . . . . . 6495 2 65 . 1 1 71 71 VAL N . . 0.0165 0.0014 . . . . . . . 6495 2 66 . 1 1 73 73 VAL N . . 0.0191 0.0011 . . . . . . . 6495 2 67 . 1 1 74 74 THR N . . 0.0161 0.0012 . . . . . . . 6495 2 68 . 1 1 76 76 MET N . . 0.0179 0.0008 . . . . . . . 6495 2 69 . 1 1 77 77 GLN N . . 0.0204 0.0035 . . . . . . . 6495 2 70 . 1 1 78 78 GLU N . . 0.0093 0.0029 . . . . . . . 6495 2 71 . 1 1 79 79 MET N . . 0.0126 0.0015 . . . . . . . 6495 2 72 . 1 1 80 80 ASP N . . 0.0209 0.0008 . . . . . . . 6495 2 73 . 1 1 81 81 VAL N . . 0.0178 0.0013 . . . . . . . 6495 2 74 . 1 1 82 82 THR N . . 0.0176 0.0011 . . . . . . . 6495 2 75 . 1 1 84 84 GLY N . . 0.0210 0.0019 . . . . . . . 6495 2 76 . 1 1 85 85 LEU N . . 0.0218 0.0015 . . . . . . . 6495 2 77 . 1 1 86 86 LYS N . . 0.0200 0.0019 . . . . . . . 6495 2 78 . 1 1 87 87 LYS N . . 0.0183 0.0018 . . . . . . . 6495 2 79 . 1 1 88 88 CYS N . . 0.0203 0.0013 . . . . . . . 6495 2 80 . 1 1 89 89 ILE N . . 0.0210 0.0045 . . . . . . . 6495 2 81 . 1 1 90 90 ARG N . . 0.0209 0.0014 . . . . . . . 6495 2 82 . 1 1 91 91 VAL N . . 0.0169 0.0005 . . . . . . . 6495 2 83 . 1 1 92 92 MET N . . 0.0240 0.0028 . . . . . . . 6495 2 84 . 1 1 93 93 MET N . . 0.0191 0.0056 . . . . . . . 6495 2 85 . 1 1 94 94 THR N . . 0.0192 0.0012 . . . . . . . 6495 2 86 . 1 1 95 95 VAL N . . 0.0186 0.0013 . . . . . . . 6495 2 87 . 1 1 96 96 GLN N . . 0.0198 0.0012 . . . . . . . 6495 2 88 . 1 1 97 97 THR N . . 0.0195 0.0011 . . . . . . . 6495 2 89 . 1 1 98 98 ASP N . . 0.0224 0.0021 . . . . . . . 6495 2 90 . 1 1 99 99 VAL N . . 0.0163 0.0009 . . . . . . . 6495 2 91 . 1 1 101 101 GLN N . . 0.0189 0.0005 . . . . . . . 6495 2 92 . 1 1 102 102 ASP N . . 0.0201 0.0007 . . . . . . . 6495 2 93 . 1 1 103 103 GLN N . . 0.0164 0.0013 . . . . . . . 6495 2 94 . 1 1 104 104 ILE N . . 0.0208 0.0015 . . . . . . . 6495 2 95 . 1 1 105 105 ARG N . . 0.0199 0.0015 . . . . . . . 6495 2 96 . 1 1 106 106 HIS N . . 0.0226 0.0015 . . . . . . . 6495 2 97 . 1 1 107 107 VAL N . . 0.0185 0.0010 . . . . . . . 6495 2 98 . 1 1 108 108 TYR N . . 0.0193 0.0016 . . . . . . . 6495 2 99 . 1 1 109 109 LEU N . . 0.0175 0.0007 . . . . . . . 6495 2 100 . 1 1 110 110 GLU N . . 0.0224 0.0008 . . . . . . . 6495 2 101 . 1 1 111 111 LYS N . . 0.0131 0.0007 . . . . . . . 6495 2 102 . 1 1 112 112 ALA N . . 0.0182 0.0004 . . . . . . . 6495 2 103 . 1 1 113 113 VAL N . . 0.0177 0.0010 . . . . . . . 6495 2 104 . 1 1 114 114 VAL N . . 0.0178 0.0004 . . . . . . . 6495 2 105 . 1 1 115 115 LEU N . . 0.0156 0.0006 . . . . . . . 6495 2 106 . 1 1 116 116 ARG N . . 0.0182 0.0014 . . . . . . . 6495 2 107 . 1 1 118 118 ASP N . . 0.0212 0.0003 . . . . . . . 6495 2 108 . 1 1 119 119 LEU N . . 0.0200 0.0008 . . . . . . . 6495 2 109 . 1 1 120 120 SER N . . 0.0247 0.0015 . . . . . . . 6495 2 110 . 1 1 121 121 LEU N . . 0.0391 0.0009 . . . . . . . 6495 2 111 . 1 1 122 122 THR N . . 0.0598 0.0037 . . . . . . . 6495 2 112 . 1 1 123 123 LYS N . . 0.1036 0.0087 . . . . . . . 6495 2 113 . 1 1 125 125 THR N . . 0.0515 0.0017 . . . . . . . 6495 2 114 . 1 1 126 126 GLU N . . 0.1322 0.0144 . . . . . . . 6495 2 115 . 1 1 127 127 LEU N . . 0.1292 0.0119 . . . . . . . 6495 2 stop_ save_