data_15541 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15541 _Entry.Title ; NMR study of the interaction of HscB with apo-IscU ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-10-31 _Entry.Accession_date 2007-10-31 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Anna Fuezery . K. . 15541 2 Marco Tonelli . . . 15541 3 Dennis Ta . T. . 15541 4 Gabriel Cornilescu . . . 15541 5 Larry Vickery . E. . 15541 6 John Markley . L. . 15541 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Markley lab, University of Wisconsin, Madison' . 15541 2 . 'National Magnetic Resonance Facility of Madison, University of Wisconsin, Madison' . 15541 3 . 'Vickery lab, University of California, Irvine' . 15541 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 15541 heteronucl_NOEs 2 15541 heteronucl_T1_relaxation 2 15541 heteronucl_T2_relaxation 2 15541 RDCs 2 15541 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 469 15541 '15N chemical shifts' 276 15541 '1H chemical shifts' 698 15541 'heteronuclear NOE values' 229 15541 'residual dipolar couplings' 274 15541 'T1 relaxation values' 228 15541 'T2 relaxation values' 228 15541 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 3 . . 2009-02-05 2007-10-31 update BMRB 'Update the first RDC table' 15541 2 . . 2008-10-23 2007-10-31 update BMRB 'complete entry citation' 15541 1 . . 2008-08-18 2007-10-31 original author 'original release' 15541 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1FPO 'X-ray crystal structure of HscB' 15541 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15541 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18702525 _Citation.Full_citation . _Citation.Title ; Solution Structure of the Iron-Sulfur Cluster Cochaperone HscB and Its Binding Surface for the Iron-Sulfur Assembly Scaffold Protein IscU ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 47 _Citation.Journal_issue 36 _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 9394 _Citation.Page_last 9404 _Citation.Year 2008 _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 Anna Fuezery . K. . 15541 1 2 Marco Tonelli . . . 15541 1 3 Dennis Ta . T. . 15541 1 4 Gabriel Cornilescu . . . 15541 1 5 Larry Vickery . E. . 15541 1 6 John Markley . L. . 15541 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID HscB 15541 1 interaction 15541 1 'iron-sulfur cluster' 15541 1 IscU 15541 1 NMR 15541 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15541 _Assembly.ID 1 _Assembly.Name 'IscU*HscB complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 34000 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 IscU 2 $IscU A . no native no no . . . 15541 1 2 HscB 1 $HscB A . yes native no no . . . 15541 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 protein-protein 15541 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'iron-sulfur cluster assembly and transfer' 15541 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HscB _Entity.Sf_category entity _Entity.Sf_framecode HscB _Entity.Entry_ID 15541 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HscB _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 ; MDYFTLFGLPARYQLDTQAL SLRFQDLQRQYHPDKFASGS QAEQLAAVQQSATINQAWQT LRHPLMRAEYLLSLHGFDLA SEQHTVRDTAFLMEQLELRE ELDEIEQAKDEARLESFIKR VKKMFDTRHQLMVEQLDNET WDAAADTVRKLRFLDKLRSS AEQLEEKLLDF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 171 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20137 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1FPO . "Hsc20 (Hscb), A J-Type Co-Chaperone From E. Coli" . . . . . 100.00 171 99.42 99.42 6.14e-117 . . . . 15541 1 2 no DBJ BAA16421 . "DnaJ-like molecular chaperone specific for IscU [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 171 100.00 100.00 1.08e-117 . . . . 15541 1 3 no DBJ BAB36816 . "molecular chaperone [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 171 100.00 100.00 1.08e-117 . . . . 15541 1 4 no DBJ BAG78337 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 100.00 171 99.42 99.42 7.47e-117 . . . . 15541 1 5 no DBJ BAI26772 . "DnaJ-like molecular chaperone specific for IscU [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 171 99.42 99.42 7.47e-117 . . . . 15541 1 6 no DBJ BAI31801 . "DnaJ-like molecular chaperone specific for IscU [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 171 99.42 99.42 7.47e-117 . . . . 15541 1 7 no EMBL CAP76979 . "Co-chaperone protein hscB [Escherichia coli LF82]" . . . . . 100.00 171 100.00 100.00 1.08e-117 . . . . 15541 1 8 no EMBL CAQ32900 . "Hsc20 co-chaperone that acts with Hsc66 in IscU iron-sulfur cluster assembly [Escherichia coli BL21(DE3)]" . . . . . 100.00 171 100.00 100.00 1.08e-117 . . . . 15541 1 9 no EMBL CAQ88189 . "DnaJ-like molecular chaperone specific for IscU [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 171 100.00 100.00 1.08e-117 . . . . 15541 1 10 no EMBL CAQ99418 . "DnaJ-like molecular chaperone specific for IscU [Escherichia coli IAI1]" . . . . . 100.00 171 99.42 99.42 7.47e-117 . . . . 15541 1 11 no EMBL CAR03969 . "DnaJ-like molecular chaperone specific for IscU [Escherichia coli S88]" . . . . . 100.00 171 100.00 100.00 1.08e-117 . . . . 15541 1 12 no GB AAA18299 . "ORF-1 [Escherichia coli]" . . . . . 100.00 171 100.00 100.00 1.08e-117 . . . . 15541 1 13 no GB AAC75580 . "HscA co-chaperone, J domain-containing protein Hsc56; IscU-specific chaperone HscAB [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 171 100.00 100.00 1.08e-117 . . . . 15541 1 14 no GB AAG57641 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 171 98.83 98.83 5.58e-116 . . . . 15541 1 15 no GB AAN44073 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 100.00 171 98.83 98.83 1.20e-115 . . . . 15541 1 16 no GB AAN81502 . "Chaperone protein hscB [Escherichia coli CFT073]" . . . . . 100.00 171 100.00 100.00 1.08e-117 . . . . 15541 1 17 no PIR E85897 . "hypothetical protein yfhE [imported] - Escherichia coli (strain O157:H7, substrain EDL933)" . . . . . 100.00 171 98.83 98.83 5.58e-116 . . . . 15541 1 18 no REF NP_311420 . "co-chaperone HscB [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 171 100.00 100.00 1.08e-117 . . . . 15541 1 19 no REF NP_417022 . "HscA co-chaperone, J domain-containing protein Hsc56; IscU-specific chaperone HscAB [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 171 100.00 100.00 1.08e-117 . . . . 15541 1 20 no REF NP_708366 . "co-chaperone HscB [Shigella flexneri 2a str. 301]" . . . . . 100.00 171 98.83 98.83 1.20e-115 . . . . 15541 1 21 no REF WP_000384389 . "co-chaperone protein HscB [Shigella sonnei]" . . . . . 100.00 171 98.83 98.83 3.23e-116 . . . . 15541 1 22 no REF WP_000384404 . "co-chaperone HscB [Escherichia coli]" . . . . . 100.00 171 99.42 99.42 6.41e-117 . . . . 15541 1 23 no SP A1AE64 . "RecName: Full=Co-chaperone protein HscB; AltName: Full=Hsc20" . . . . . 100.00 171 100.00 100.00 1.08e-117 . . . . 15541 1 24 no SP A7ZPX0 . "RecName: Full=Co-chaperone protein HscB; AltName: Full=Hsc20" . . . . . 100.00 171 99.42 99.42 7.47e-117 . . . . 15541 1 25 no SP A8A333 . "RecName: Full=Co-chaperone protein HscB; AltName: Full=Hsc20" . . . . . 100.00 171 100.00 100.00 1.08e-117 . . . . 15541 1 26 no SP B1IWD4 . "RecName: Full=Co-chaperone protein HscB; AltName: Full=Hsc20" . . . . . 100.00 171 100.00 100.00 1.08e-117 . . . . 15541 1 27 no SP B1LNI2 . "RecName: Full=Co-chaperone protein HscB; AltName: Full=Hsc20" . . . . . 100.00 171 99.42 99.42 3.59e-117 . . . . 15541 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID co-chaperone 15541 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 . 15541 1 2 . ASP . 15541 1 3 . TYR . 15541 1 4 . PHE . 15541 1 5 . THR . 15541 1 6 . LEU . 15541 1 7 . PHE . 15541 1 8 . GLY . 15541 1 9 . LEU . 15541 1 10 . PRO . 15541 1 11 . ALA . 15541 1 12 . ARG . 15541 1 13 . TYR . 15541 1 14 . GLN . 15541 1 15 . LEU . 15541 1 16 . ASP . 15541 1 17 . THR . 15541 1 18 . GLN . 15541 1 19 . ALA . 15541 1 20 . LEU . 15541 1 21 . SER . 15541 1 22 . LEU . 15541 1 23 . ARG . 15541 1 24 . PHE . 15541 1 25 . GLN . 15541 1 26 . ASP . 15541 1 27 . LEU . 15541 1 28 . GLN . 15541 1 29 . ARG . 15541 1 30 . GLN . 15541 1 31 . TYR . 15541 1 32 . HIS . 15541 1 33 . PRO . 15541 1 34 . ASP . 15541 1 35 . LYS . 15541 1 36 . PHE . 15541 1 37 . ALA . 15541 1 38 . SER . 15541 1 39 . GLY . 15541 1 40 . SER . 15541 1 41 . GLN . 15541 1 42 . ALA . 15541 1 43 . GLU . 15541 1 44 . GLN . 15541 1 45 . LEU . 15541 1 46 . ALA . 15541 1 47 . ALA . 15541 1 48 . VAL . 15541 1 49 . GLN . 15541 1 50 . GLN . 15541 1 51 . SER . 15541 1 52 . ALA . 15541 1 53 . THR . 15541 1 54 . ILE . 15541 1 55 . ASN . 15541 1 56 . GLN . 15541 1 57 . ALA . 15541 1 58 . TRP . 15541 1 59 . GLN . 15541 1 60 . THR . 15541 1 61 . LEU . 15541 1 62 . ARG . 15541 1 63 . HIS . 15541 1 64 . PRO . 15541 1 65 . LEU . 15541 1 66 . MET . 15541 1 67 . ARG . 15541 1 68 . ALA . 15541 1 69 . GLU . 15541 1 70 . TYR . 15541 1 71 . LEU . 15541 1 72 . LEU . 15541 1 73 . SER . 15541 1 74 . LEU . 15541 1 75 . HIS . 15541 1 76 . GLY . 15541 1 77 . PHE . 15541 1 78 . ASP . 15541 1 79 . LEU . 15541 1 80 . ALA . 15541 1 81 . SER . 15541 1 82 . GLU . 15541 1 83 . GLN . 15541 1 84 . HIS . 15541 1 85 . THR . 15541 1 86 . VAL . 15541 1 87 . ARG . 15541 1 88 . ASP . 15541 1 89 . THR . 15541 1 90 . ALA . 15541 1 91 . PHE . 15541 1 92 . LEU . 15541 1 93 . MET . 15541 1 94 . GLU . 15541 1 95 . GLN . 15541 1 96 . LEU . 15541 1 97 . GLU . 15541 1 98 . LEU . 15541 1 99 . ARG . 15541 1 100 . GLU . 15541 1 101 . GLU . 15541 1 102 . LEU . 15541 1 103 . ASP . 15541 1 104 . GLU . 15541 1 105 . ILE . 15541 1 106 . GLU . 15541 1 107 . GLN . 15541 1 108 . ALA . 15541 1 109 . LYS . 15541 1 110 . ASP . 15541 1 111 . GLU . 15541 1 112 . ALA . 15541 1 113 . ARG . 15541 1 114 . LEU . 15541 1 115 . GLU . 15541 1 116 . SER . 15541 1 117 . PHE . 15541 1 118 . ILE . 15541 1 119 . LYS . 15541 1 120 . ARG . 15541 1 121 . VAL . 15541 1 122 . LYS . 15541 1 123 . LYS . 15541 1 124 . MET . 15541 1 125 . PHE . 15541 1 126 . ASP . 15541 1 127 . THR . 15541 1 128 . ARG . 15541 1 129 . HIS . 15541 1 130 . GLN . 15541 1 131 . LEU . 15541 1 132 . MET . 15541 1 133 . VAL . 15541 1 134 . GLU . 15541 1 135 . GLN . 15541 1 136 . LEU . 15541 1 137 . ASP . 15541 1 138 . ASN . 15541 1 139 . GLU . 15541 1 140 . THR . 15541 1 141 . TRP . 15541 1 142 . ASP . 15541 1 143 . ALA . 15541 1 144 . ALA . 15541 1 145 . ALA . 15541 1 146 . ASP . 15541 1 147 . THR . 15541 1 148 . VAL . 15541 1 149 . ARG . 15541 1 150 . LYS . 15541 1 151 . LEU . 15541 1 152 . ARG . 15541 1 153 . PHE . 15541 1 154 . LEU . 15541 1 155 . ASP . 15541 1 156 . LYS . 15541 1 157 . LEU . 15541 1 158 . ARG . 15541 1 159 . SER . 15541 1 160 . SER . 15541 1 161 . ALA . 15541 1 162 . GLU . 15541 1 163 . GLN . 15541 1 164 . LEU . 15541 1 165 . GLU . 15541 1 166 . GLU . 15541 1 167 . LYS . 15541 1 168 . LEU . 15541 1 169 . LEU . 15541 1 170 . ASP . 15541 1 171 . PHE . 15541 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 15541 1 . ASP 2 2 15541 1 . TYR 3 3 15541 1 . PHE 4 4 15541 1 . THR 5 5 15541 1 . LEU 6 6 15541 1 . PHE 7 7 15541 1 . GLY 8 8 15541 1 . LEU 9 9 15541 1 . PRO 10 10 15541 1 . ALA 11 11 15541 1 . ARG 12 12 15541 1 . TYR 13 13 15541 1 . GLN 14 14 15541 1 . LEU 15 15 15541 1 . ASP 16 16 15541 1 . THR 17 17 15541 1 . GLN 18 18 15541 1 . ALA 19 19 15541 1 . LEU 20 20 15541 1 . SER 21 21 15541 1 . LEU 22 22 15541 1 . ARG 23 23 15541 1 . PHE 24 24 15541 1 . GLN 25 25 15541 1 . ASP 26 26 15541 1 . LEU 27 27 15541 1 . GLN 28 28 15541 1 . ARG 29 29 15541 1 . GLN 30 30 15541 1 . TYR 31 31 15541 1 . HIS 32 32 15541 1 . PRO 33 33 15541 1 . ASP 34 34 15541 1 . LYS 35 35 15541 1 . PHE 36 36 15541 1 . ALA 37 37 15541 1 . SER 38 38 15541 1 . GLY 39 39 15541 1 . SER 40 40 15541 1 . GLN 41 41 15541 1 . ALA 42 42 15541 1 . GLU 43 43 15541 1 . GLN 44 44 15541 1 . LEU 45 45 15541 1 . ALA 46 46 15541 1 . ALA 47 47 15541 1 . VAL 48 48 15541 1 . GLN 49 49 15541 1 . GLN 50 50 15541 1 . SER 51 51 15541 1 . ALA 52 52 15541 1 . THR 53 53 15541 1 . ILE 54 54 15541 1 . ASN 55 55 15541 1 . GLN 56 56 15541 1 . ALA 57 57 15541 1 . TRP 58 58 15541 1 . GLN 59 59 15541 1 . THR 60 60 15541 1 . LEU 61 61 15541 1 . ARG 62 62 15541 1 . HIS 63 63 15541 1 . PRO 64 64 15541 1 . LEU 65 65 15541 1 . MET 66 66 15541 1 . ARG 67 67 15541 1 . ALA 68 68 15541 1 . GLU 69 69 15541 1 . TYR 70 70 15541 1 . LEU 71 71 15541 1 . LEU 72 72 15541 1 . SER 73 73 15541 1 . LEU 74 74 15541 1 . HIS 75 75 15541 1 . GLY 76 76 15541 1 . PHE 77 77 15541 1 . ASP 78 78 15541 1 . LEU 79 79 15541 1 . ALA 80 80 15541 1 . SER 81 81 15541 1 . GLU 82 82 15541 1 . GLN 83 83 15541 1 . HIS 84 84 15541 1 . THR 85 85 15541 1 . VAL 86 86 15541 1 . ARG 87 87 15541 1 . ASP 88 88 15541 1 . THR 89 89 15541 1 . ALA 90 90 15541 1 . PHE 91 91 15541 1 . LEU 92 92 15541 1 . MET 93 93 15541 1 . GLU 94 94 15541 1 . GLN 95 95 15541 1 . LEU 96 96 15541 1 . GLU 97 97 15541 1 . LEU 98 98 15541 1 . ARG 99 99 15541 1 . GLU 100 100 15541 1 . GLU 101 101 15541 1 . LEU 102 102 15541 1 . ASP 103 103 15541 1 . GLU 104 104 15541 1 . ILE 105 105 15541 1 . GLU 106 106 15541 1 . GLN 107 107 15541 1 . ALA 108 108 15541 1 . LYS 109 109 15541 1 . ASP 110 110 15541 1 . GLU 111 111 15541 1 . ALA 112 112 15541 1 . ARG 113 113 15541 1 . LEU 114 114 15541 1 . GLU 115 115 15541 1 . SER 116 116 15541 1 . PHE 117 117 15541 1 . ILE 118 118 15541 1 . LYS 119 119 15541 1 . ARG 120 120 15541 1 . VAL 121 121 15541 1 . LYS 122 122 15541 1 . LYS 123 123 15541 1 . MET 124 124 15541 1 . PHE 125 125 15541 1 . ASP 126 126 15541 1 . THR 127 127 15541 1 . ARG 128 128 15541 1 . HIS 129 129 15541 1 . GLN 130 130 15541 1 . LEU 131 131 15541 1 . MET 132 132 15541 1 . VAL 133 133 15541 1 . GLU 134 134 15541 1 . GLN 135 135 15541 1 . LEU 136 136 15541 1 . ASP 137 137 15541 1 . ASN 138 138 15541 1 . GLU 139 139 15541 1 . THR 140 140 15541 1 . TRP 141 141 15541 1 . ASP 142 142 15541 1 . ALA 143 143 15541 1 . ALA 144 144 15541 1 . ALA 145 145 15541 1 . ASP 146 146 15541 1 . THR 147 147 15541 1 . VAL 148 148 15541 1 . ARG 149 149 15541 1 . LYS 150 150 15541 1 . LEU 151 151 15541 1 . ARG 152 152 15541 1 . PHE 153 153 15541 1 . LEU 154 154 15541 1 . ASP 155 155 15541 1 . LYS 156 156 15541 1 . LEU 157 157 15541 1 . ARG 158 158 15541 1 . SER 159 159 15541 1 . SER 160 160 15541 1 . ALA 161 161 15541 1 . GLU 162 162 15541 1 . GLN 163 163 15541 1 . LEU 164 164 15541 1 . GLU 165 165 15541 1 . GLU 166 166 15541 1 . LYS 167 167 15541 1 . LEU 168 168 15541 1 . LEU 169 169 15541 1 . ASP 170 170 15541 1 . PHE 171 171 15541 1 stop_ save_ save_IscU _Entity.Sf_category entity _Entity.Sf_framecode IscU _Entity.Entry_ID 15541 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name IscU _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 ; AYSEKVIDHYENPRNVGSFD NNDENVGSGMVGAPACGDVM KLQIKVNDEGIIEDARFKTY GCGSAIASSSLVTEWVKGKS LDEAQAIKNTDIAEELELPP VKIHCSILAEDAIKAAIADY KSKREAK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 127 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 . _Entity.DB_query_revised_last_date 2015-01-31 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15967 . IscU(D39A) . . . . . 100.00 128 99.21 99.21 3.63e-85 . . . . 15541 2 2 no BMRB 16245 . IscU . . . . . 100.00 130 100.00 100.00 4.41e-86 . . . . 15541 2 3 no BMRB 16603 . IscU . . . . . 100.00 128 99.21 99.21 3.63e-85 . . . . 15541 2 4 no BMRB 17282 . IscU . . . . . 100.00 128 100.00 100.00 3.04e-86 . . . . 15541 2 5 no BMRB 17836 . IscU . . . . . 100.00 128 100.00 100.00 3.04e-86 . . . . 15541 2 6 no BMRB 17837 . IscU . . . . . 100.00 128 100.00 100.00 3.04e-86 . . . . 15541 2 7 no BMRB 17844 . IscU . . . . . 100.00 128 100.00 100.00 3.04e-86 . . . . 15541 2 8 no BMRB 18359 . IscU(D39V) . . . . . 100.00 128 99.21 99.21 7.62e-85 . . . . 15541 2 9 no BMRB 18360 . IscU(E111A) . . . . . 100.00 128 99.21 99.21 2.98e-85 . . . . 15541 2 10 no BMRB 18361 . IscU(N90A) . . . . . 100.00 128 99.21 99.21 4.98e-85 . . . . 15541 2 11 no BMRB 18362 . IscU(S107A) . . . . . 100.00 128 99.21 100.00 9.27e-86 . . . . 15541 2 12 no BMRB 18381 . IscU . . . . . 100.00 128 100.00 100.00 3.04e-86 . . . . 15541 2 13 no BMRB 18750 . IscU . . . . . 100.00 128 100.00 100.00 3.04e-86 . . . . 15541 2 14 no BMRB 18754 . IscU . . . . . 100.00 128 100.00 100.00 3.04e-86 . . . . 15541 2 15 no BMRB 7432 . IscU(D39A) . . . . . 100.00 128 99.21 99.21 3.63e-85 . . . . 15541 2 16 no PDB 2KQK . "Solution Structure Of Apo-Iscu(D39a)" . . . . . 100.00 128 99.21 99.21 3.63e-85 . . . . 15541 2 17 no PDB 2L4X . "Solution Structure Of Apo-Iscu(Wt)" . . . . . 100.00 128 100.00 100.00 3.04e-86 . . . . 15541 2 18 no PDB 3LVL . "Crystal Structure Of E.Coli Iscs-Iscu Complex" . . . . . 100.00 129 100.00 100.00 3.87e-86 . . . . 15541 2 19 no DBJ BAA16423 . "scaffold protein [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 128 100.00 100.00 3.04e-86 . . . . 15541 2 20 no DBJ BAB36818 . "NifU-like protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 128 100.00 100.00 3.04e-86 . . . . 15541 2 21 no DBJ BAG78339 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 100.00 128 100.00 100.00 3.04e-86 . . . . 15541 2 22 no DBJ BAH64655 . "hypothetical protein KP1_4113 [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 100.00 128 97.64 100.00 3.15e-84 . . . . 15541 2 23 no DBJ BAI26774 . "scaffold protein IscU [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 128 100.00 100.00 3.04e-86 . . . . 15541 2 24 no EMBL CAD02745 . "NifU-like protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 128 98.43 100.00 5.20e-85 . . . . 15541 2 25 no EMBL CAP76981 . "NifU-like protein [Escherichia coli LF82]" . . . . . 100.00 128 99.21 99.21 1.86e-85 . . . . 15541 2 26 no EMBL CAQ32902 . "scaffold protein involved in iron-sulfur cluster assembly [Escherichia coli BL21(DE3)]" . . . . . 100.00 128 100.00 100.00 3.04e-86 . . . . 15541 2 27 no EMBL CAQ88187 . "scaffold protein [Escherichia fergusonii ATCC 35469]" . . . . . 100.00 128 100.00 100.00 3.04e-86 . . . . 15541 2 28 no EMBL CAQ99420 . "scaffold protein [Escherichia coli IAI1]" . . . . . 100.00 128 100.00 100.00 3.04e-86 . . . . 15541 2 29 no GB AAC75582 . "iron-sulfur cluster assembly scaffold protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 128 100.00 100.00 3.04e-86 . . . . 15541 2 30 no GB AAG57643 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 128 100.00 100.00 3.04e-86 . . . . 15541 2 31 no GB AAL21436 . "NifU homolog [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 128 98.43 100.00 5.20e-85 . . . . 15541 2 32 no GB AAN44075 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 100.00 128 100.00 100.00 3.04e-86 . . . . 15541 2 33 no GB AAN81505 . "NifU-like protein [Escherichia coli CFT073]" . . . . . 100.00 128 100.00 100.00 3.04e-86 . . . . 15541 2 34 no PIR AE0824 . "NifU-like protein [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 128 98.43 100.00 5.20e-85 . . . . 15541 2 35 no REF NP_289086 . "scaffold protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 128 100.00 100.00 3.04e-86 . . . . 15541 2 36 no REF NP_311422 . "scaffold protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 128 100.00 100.00 3.04e-86 . . . . 15541 2 37 no REF NP_417024 . "iron-sulfur cluster assembly scaffold protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 128 100.00 100.00 3.04e-86 . . . . 15541 2 38 no REF NP_457073 . "NifU-like protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 128 98.43 100.00 5.20e-85 . . . . 15541 2 39 no REF NP_461477 . "iron-sulfur cluster assembly scaffold protein [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 128 98.43 100.00 5.20e-85 . . . . 15541 2 40 no SP P0ACD4 . "RecName: Full=Iron-sulfur cluster assembly scaffold protein IscU; AltName: Full=Sulfur acceptor protein IscU [Escherichia coli " . . . . . 100.00 128 100.00 100.00 3.04e-86 . . . . 15541 2 41 no SP P0ACD5 . "RecName: Full=Iron-sulfur cluster assembly scaffold protein IscU; AltName: Full=Sulfur acceptor protein IscU [Escherichia coli " . . . . . 100.00 128 100.00 100.00 3.04e-86 . . . . 15541 2 42 no SP P0ACD6 . "RecName: Full=Iron-sulfur cluster assembly scaffold protein IscU; AltName: Full=Sulfur acceptor protein IscU [Escherichia coli " . . . . . 100.00 128 100.00 100.00 3.04e-86 . . . . 15541 2 43 no SP P0ACD7 . "RecName: Full=Iron-sulfur cluster assembly scaffold protein IscU; AltName: Full=Sulfur acceptor protein IscU [Shigella flexneri" . . . . . 100.00 128 100.00 100.00 3.04e-86 . . . . 15541 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID scaffold 15541 2 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 . ALA . 15541 2 2 . TYR . 15541 2 3 . SER . 15541 2 4 . GLU . 15541 2 5 . LYS . 15541 2 6 . VAL . 15541 2 7 . ILE . 15541 2 8 . ASP . 15541 2 9 . HIS . 15541 2 10 . TYR . 15541 2 11 . GLU . 15541 2 12 . ASN . 15541 2 13 . PRO . 15541 2 14 . ARG . 15541 2 15 . ASN . 15541 2 16 . VAL . 15541 2 17 . GLY . 15541 2 18 . SER . 15541 2 19 . PHE . 15541 2 20 . ASP . 15541 2 21 . ASN . 15541 2 22 . ASN . 15541 2 23 . ASP . 15541 2 24 . GLU . 15541 2 25 . ASN . 15541 2 26 . VAL . 15541 2 27 . GLY . 15541 2 28 . SER . 15541 2 29 . GLY . 15541 2 30 . MET . 15541 2 31 . VAL . 15541 2 32 . GLY . 15541 2 33 . ALA . 15541 2 34 . PRO . 15541 2 35 . ALA . 15541 2 36 . CYS . 15541 2 37 . GLY . 15541 2 38 . ASP . 15541 2 39 . VAL . 15541 2 40 . MET . 15541 2 41 . LYS . 15541 2 42 . LEU . 15541 2 43 . GLN . 15541 2 44 . ILE . 15541 2 45 . LYS . 15541 2 46 . VAL . 15541 2 47 . ASN . 15541 2 48 . ASP . 15541 2 49 . GLU . 15541 2 50 . GLY . 15541 2 51 . ILE . 15541 2 52 . ILE . 15541 2 53 . GLU . 15541 2 54 . ASP . 15541 2 55 . ALA . 15541 2 56 . ARG . 15541 2 57 . PHE . 15541 2 58 . LYS . 15541 2 59 . THR . 15541 2 60 . TYR . 15541 2 61 . GLY . 15541 2 62 . CYS . 15541 2 63 . GLY . 15541 2 64 . SER . 15541 2 65 . ALA . 15541 2 66 . ILE . 15541 2 67 . ALA . 15541 2 68 . SER . 15541 2 69 . SER . 15541 2 70 . SER . 15541 2 71 . LEU . 15541 2 72 . VAL . 15541 2 73 . THR . 15541 2 74 . GLU . 15541 2 75 . TRP . 15541 2 76 . VAL . 15541 2 77 . LYS . 15541 2 78 . GLY . 15541 2 79 . LYS . 15541 2 80 . SER . 15541 2 81 . LEU . 15541 2 82 . ASP . 15541 2 83 . GLU . 15541 2 84 . ALA . 15541 2 85 . GLN . 15541 2 86 . ALA . 15541 2 87 . ILE . 15541 2 88 . LYS . 15541 2 89 . ASN . 15541 2 90 . THR . 15541 2 91 . ASP . 15541 2 92 . ILE . 15541 2 93 . ALA . 15541 2 94 . GLU . 15541 2 95 . GLU . 15541 2 96 . LEU . 15541 2 97 . GLU . 15541 2 98 . LEU . 15541 2 99 . PRO . 15541 2 100 . PRO . 15541 2 101 . VAL . 15541 2 102 . LYS . 15541 2 103 . ILE . 15541 2 104 . HIS . 15541 2 105 . CYS . 15541 2 106 . SER . 15541 2 107 . ILE . 15541 2 108 . LEU . 15541 2 109 . ALA . 15541 2 110 . GLU . 15541 2 111 . ASP . 15541 2 112 . ALA . 15541 2 113 . ILE . 15541 2 114 . LYS . 15541 2 115 . ALA . 15541 2 116 . ALA . 15541 2 117 . ILE . 15541 2 118 . ALA . 15541 2 119 . ASP . 15541 2 120 . TYR . 15541 2 121 . LYS . 15541 2 122 . SER . 15541 2 123 . LYS . 15541 2 124 . ARG . 15541 2 125 . GLU . 15541 2 126 . ALA . 15541 2 127 . LYS . 15541 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 . ALA 1 1 15541 2 . TYR 2 2 15541 2 . SER 3 3 15541 2 . GLU 4 4 15541 2 . LYS 5 5 15541 2 . VAL 6 6 15541 2 . ILE 7 7 15541 2 . ASP 8 8 15541 2 . HIS 9 9 15541 2 . TYR 10 10 15541 2 . GLU 11 11 15541 2 . ASN 12 12 15541 2 . PRO 13 13 15541 2 . ARG 14 14 15541 2 . ASN 15 15 15541 2 . VAL 16 16 15541 2 . GLY 17 17 15541 2 . SER 18 18 15541 2 . PHE 19 19 15541 2 . ASP 20 20 15541 2 . ASN 21 21 15541 2 . ASN 22 22 15541 2 . ASP 23 23 15541 2 . GLU 24 24 15541 2 . ASN 25 25 15541 2 . VAL 26 26 15541 2 . GLY 27 27 15541 2 . SER 28 28 15541 2 . GLY 29 29 15541 2 . MET 30 30 15541 2 . VAL 31 31 15541 2 . GLY 32 32 15541 2 . ALA 33 33 15541 2 . PRO 34 34 15541 2 . ALA 35 35 15541 2 . CYS 36 36 15541 2 . GLY 37 37 15541 2 . ASP 38 38 15541 2 . VAL 39 39 15541 2 . MET 40 40 15541 2 . LYS 41 41 15541 2 . LEU 42 42 15541 2 . GLN 43 43 15541 2 . ILE 44 44 15541 2 . LYS 45 45 15541 2 . VAL 46 46 15541 2 . ASN 47 47 15541 2 . ASP 48 48 15541 2 . GLU 49 49 15541 2 . GLY 50 50 15541 2 . ILE 51 51 15541 2 . ILE 52 52 15541 2 . GLU 53 53 15541 2 . ASP 54 54 15541 2 . ALA 55 55 15541 2 . ARG 56 56 15541 2 . PHE 57 57 15541 2 . LYS 58 58 15541 2 . THR 59 59 15541 2 . TYR 60 60 15541 2 . GLY 61 61 15541 2 . CYS 62 62 15541 2 . GLY 63 63 15541 2 . SER 64 64 15541 2 . ALA 65 65 15541 2 . ILE 66 66 15541 2 . ALA 67 67 15541 2 . SER 68 68 15541 2 . SER 69 69 15541 2 . SER 70 70 15541 2 . LEU 71 71 15541 2 . VAL 72 72 15541 2 . THR 73 73 15541 2 . GLU 74 74 15541 2 . TRP 75 75 15541 2 . VAL 76 76 15541 2 . LYS 77 77 15541 2 . GLY 78 78 15541 2 . LYS 79 79 15541 2 . SER 80 80 15541 2 . LEU 81 81 15541 2 . ASP 82 82 15541 2 . GLU 83 83 15541 2 . ALA 84 84 15541 2 . GLN 85 85 15541 2 . ALA 86 86 15541 2 . ILE 87 87 15541 2 . LYS 88 88 15541 2 . ASN 89 89 15541 2 . THR 90 90 15541 2 . ASP 91 91 15541 2 . ILE 92 92 15541 2 . ALA 93 93 15541 2 . GLU 94 94 15541 2 . GLU 95 95 15541 2 . LEU 96 96 15541 2 . GLU 97 97 15541 2 . LEU 98 98 15541 2 . PRO 99 99 15541 2 . PRO 100 100 15541 2 . VAL 101 101 15541 2 . LYS 102 102 15541 2 . ILE 103 103 15541 2 . HIS 104 104 15541 2 . CYS 105 105 15541 2 . SER 106 106 15541 2 . ILE 107 107 15541 2 . LEU 108 108 15541 2 . ALA 109 109 15541 2 . GLU 110 110 15541 2 . ASP 111 111 15541 2 . ALA 112 112 15541 2 . ILE 113 113 15541 2 . LYS 114 114 15541 2 . ALA 115 115 15541 2 . ALA 116 116 15541 2 . ILE 117 117 15541 2 . ALA 118 118 15541 2 . ASP 119 119 15541 2 . TYR 120 120 15541 2 . LYS 121 121 15541 2 . SER 122 122 15541 2 . LYS 123 123 15541 2 . ARG 124 124 15541 2 . GLU 125 125 15541 2 . ALA 126 126 15541 2 . LYS 127 127 15541 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 15541 _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 2 $IscU . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 15541 1 2 1 $HscB . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 15541 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 15541 _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 2 $IscU . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pTrcIscU . . . . . . 15541 1 2 1 $HscB . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli DH5alpha . . . . . . . . . . . . . . . pTrcHsc20 . . . . . . 15541 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15541 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'used for resonance assignment' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _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 HscB '[U-13C; U-15N]' . . 1 $HscB . . 1 . . mM . . . . 15541 1 2 TRIS 'natural abundance' . . . . . . 18 . . mM . . . . 15541 1 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 15541 1 4 EDTA 'natural abundance' . . . . . . 0.2 . . mM . . . . 15541 1 5 H20 'natural abundance' . . . . . . 93 . . % . . . . 15541 1 6 D2O . . . . . . . 7 . . % . . . . 15541 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15541 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'isotropic sample used for residual dipolar coupling data collection' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _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 HscB '[U-13C; U-15N]' . . 1 $HscB . . 1 . . mM . . . . 15541 2 2 TRIS 'natural abundance' . . . . . . 18 . . mM . . . . 15541 2 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 15541 2 4 EDTA 'natural abundance' . . . . . . 0.2 . . mM . . . . 15541 2 5 'sodium azide' 'natural abundance' . . . . . . 0.08 . . mM . . . . 15541 2 6 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 15541 2 7 H20 'natural abundance' . . . . . . 93 . . % . . . . 15541 2 8 D2O . . . . . . . 7 . . % . . . . 15541 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15541 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'aligned sample used for residual dipolar coupling data collection' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _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 HscB '[U-13C; U-15N]' . . 1 $HscB . . 1 . . mM . . . . 15541 3 2 TRIS 'natural abundance' . . . . . . 16 . . mM . . . . 15541 3 3 'Pf1 phage' 'natural abundance' . . . . . . 11 . . mg/mL . . . . 15541 3 4 H20 'natural abundance' . . . . . . 93 . . % . . . . 15541 3 5 D2O . . . . . . . 7 . . % . . . . 15541 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 15541 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'used for T1, T2 and heteronuclear NOE data collection' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _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 HscB [U-15N] . . 1 $HscB . . 0.9 . . mM . . . . 15541 4 2 TRIS 'natural abundance' . . . . . . 22 . . mM . . . . 15541 4 3 DTT 'natural abundance' . . . . . . 9 . . mM . . . . 15541 4 4 H20 'natural abundance' . . . . . . 93 . . % . . . . 15541 4 5 D2O . . . . . . . 7 . . % . . . . 15541 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 15541 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'IscU-bound HscB' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 HscB [U-15N] . . 1 $HscB . . 0.4 . . mM . . . . 15541 5 2 TRIS 'natural abundance' . . . . . . 19 . . mM . . . . 15541 5 3 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 15541 5 4 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 15541 5 5 IscU 'natural abundance' . . . . . . 0.9 . . mM . . . . 15541 5 6 H20 'natural abundance' . . . . . . 93 . . % . . . . 15541 5 7 D2O . . . . . . . 7 . . % . . . . 15541 5 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15541 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'conditions were the same for all data collection' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . M 15541 1 pH 7.4 0.1 pH 15541 1 pressure 1 . atm 15541 1 temperature 313 . K 15541 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15541 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15541 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15541 1 'peak picking' 15541 1 processing 15541 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15541 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15541 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15541 2 'data analysis' 15541 2 'peak picking' 15541 2 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 15541 _Software.ID 3 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15541 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15541 3 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 15541 _Software.ID 4 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 15541 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15541 4 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15541 _Software.ID 5 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15541 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15541 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15541 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity-INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15541 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity-INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15541 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity-INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 15541 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX-Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15541 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian Unity-INOVA . 600 . . . 15541 1 2 spectrometer_2 Varian Unity-INOVA . 800 . . . 15541 1 3 spectrometer_3 Varian Unity-INOVA . 900 . . . 15541 1 4 spectrometer_4 Bruker DMX-Avance . 600 . . . 15541 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 15541 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15541 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15541 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15541 1 4 '3D TROSY-HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15541 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15541 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15541 1 7 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15541 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15541 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15541 1 10 '3D HN-coupled HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 15541 1 11 '3D HN-coupled HNCO' no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 15541 1 12 '3D HA-coupled HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 15541 1 13 '3D HA-coupled HN(CO)CA' no . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 15541 1 14 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15541 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15541 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details '1H, 13C and 15N referencing was performed using the referencing feature included in NMRPipe' loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbons' . . . . ppm 0 na indirect 0.251449530 . . . . . . . . . 15541 1 H 1 water protons . . . . ppm 4.773 internal direct 1.0 . . . . . temperature . . . 15541 1 N 15 DSS nitrogen . . . . ppm 0 na indirect 0.101329118 . . . . . . . . . 15541 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15541 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 15541 1 2 '3D HNCACB' . . . 15541 1 3 '3D CBCA(CO)NH' . . . 15541 1 4 '3D TROSY-HNCO' . . . 15541 1 5 '3D HBHA(CO)NH' . . . 15541 1 6 '3D H(CCO)NH' . . . 15541 1 7 '3D C(CO)NH' . . . 15541 1 8 '2D 1H-13C HSQC' . . . 15541 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 15541 1 2 $SPARKY . . 15541 1 3 $VNMR . . 15541 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 . 2 1 2 2 ASP HA H 1 4.618 . . 1 . . . . 2 D Ha . 15541 1 2 . 2 1 2 2 ASP HB2 H 1 3.281 . . 2 . . . . 2 D HB2 . 15541 1 3 . 2 1 2 2 ASP HB3 H 1 2.666 . . 2 . . . . 2 D HB3 . 15541 1 4 . 2 1 2 2 ASP C C 13 176.207 . . 1 . . . . 2 D C . 15541 1 5 . 2 1 2 2 ASP CA C 13 53.749 . . 1 . . . . 2 D Ca . 15541 1 6 . 2 1 2 2 ASP CB C 13 43.276 . . 1 . . . . 2 D Cb . 15541 1 7 . 2 1 3 3 TYR H H 1 8.625 . . 1 . . . . 3 Y H . 15541 1 8 . 2 1 3 3 TYR HA H 1 4.373 . . 1 . . . . 3 Y Ha . 15541 1 9 . 2 1 3 3 TYR HB2 H 1 2.786 . . 2 . . . . 3 Y HB2 . 15541 1 10 . 2 1 3 3 TYR HB3 H 1 2.367 . . 2 . . . . 3 Y HB3 . 15541 1 11 . 2 1 3 3 TYR C C 13 177.621 . . 1 . . . . 3 Y C . 15541 1 12 . 2 1 3 3 TYR CA C 13 56.955 . . 1 . . . . 3 Y Ca . 15541 1 13 . 2 1 3 3 TYR CB C 13 37.493 . . 1 . . . . 3 Y Cb . 15541 1 14 . 2 1 3 3 TYR N N 15 116.701 . . 1 . . . . 3 Y N . 15541 1 15 . 2 1 4 4 PHE H H 1 8.402 . . 1 . . . . 4 F H . 15541 1 16 . 2 1 4 4 PHE HA H 1 4.195 . . 1 . . . . 4 F Ha . 15541 1 17 . 2 1 4 4 PHE HB2 H 1 3.230 . . 2 . . . . 4 F Hb# . 15541 1 18 . 2 1 4 4 PHE HB3 H 1 3.230 . . 2 . . . . 4 F Hb# . 15541 1 19 . 2 1 4 4 PHE C C 13 178.912 . . 1 . . . . 4 F C . 15541 1 20 . 2 1 4 4 PHE CA C 13 62.794 . . 1 . . . . 4 F Ca . 15541 1 21 . 2 1 4 4 PHE CB C 13 36.811 . . 1 . . . . 4 F Cb . 15541 1 22 . 2 1 4 4 PHE N N 15 115.693 . . 1 . . . . 4 F N . 15541 1 23 . 2 1 5 5 THR H H 1 9.091 . . 1 . . . . 5 T H . 15541 1 24 . 2 1 5 5 THR HA H 1 3.962 . . 1 . . . . 5 T Ha . 15541 1 25 . 2 1 5 5 THR C C 13 178.366 . . 1 . . . . 5 T C . 15541 1 26 . 2 1 5 5 THR CA C 13 66.977 . . 1 . . . . 5 T Ca . 15541 1 27 . 2 1 5 5 THR CB C 13 67.813 . . 1 . . . . 5 T Cb . 15541 1 28 . 2 1 5 5 THR N N 15 120.326 . . 1 . . . . 5 T N . 15541 1 29 . 2 1 6 6 LEU H H 1 8.255 . . 1 . . . . 6 L H . 15541 1 30 . 2 1 6 6 LEU HA H 1 4.063 . . 1 . . . . 6 L Ha . 15541 1 31 . 2 1 6 6 LEU HB2 H 1 1.765 . . 2 . . . . 6 L HB2 . 15541 1 32 . 2 1 6 6 LEU HB3 H 1 1.525 . . 2 . . . . 6 L HB3 . 15541 1 33 . 2 1 6 6 LEU C C 13 177.235 . . 1 . . . . 6 L C . 15541 1 34 . 2 1 6 6 LEU CA C 13 58.465 . . 1 . . . . 6 L Ca . 15541 1 35 . 2 1 6 6 LEU CB C 13 42.395 . . 1 . . . . 6 L Cb . 15541 1 36 . 2 1 6 6 LEU N N 15 124.007 . . 1 . . . . 6 L N . 15541 1 37 . 2 1 7 7 PHE H H 1 7.249 . . 1 . . . . 7 F H . 15541 1 38 . 2 1 7 7 PHE HA H 1 4.490 . . 1 . . . . 7 F Ha . 15541 1 39 . 2 1 7 7 PHE HB2 H 1 3.422 . . 2 . . . . 7 F HB2 . 15541 1 40 . 2 1 7 7 PHE HB3 H 1 2.910 . . 2 . . . . 7 F HB3 . 15541 1 41 . 2 1 7 7 PHE C C 13 175.068 . . 1 . . . . 7 F C . 15541 1 42 . 2 1 7 7 PHE CA C 13 58.505 . . 1 . . . . 7 F Ca . 15541 1 43 . 2 1 7 7 PHE CB C 13 40.428 . . 1 . . . . 7 F Cb . 15541 1 44 . 2 1 7 7 PHE N N 15 114.375 . . 1 . . . . 7 F N . 15541 1 45 . 2 1 8 8 GLY H H 1 8.316 . . 1 . . . . 8 G H . 15541 1 46 . 2 1 8 8 GLY HA2 H 1 4.007 . . 2 . . . . 8 G Ha2 . 15541 1 47 . 2 1 8 8 GLY HA3 H 1 4.013 . . 2 . . . . 8 G Ha3 . 15541 1 48 . 2 1 8 8 GLY C C 13 174.574 . . 1 . . . . 8 G C . 15541 1 49 . 2 1 8 8 GLY CA C 13 46.653 . . 1 . . . . 8 G Ca . 15541 1 50 . 2 1 8 8 GLY N N 15 110.097 . . 1 . . . . 8 G N . 15541 1 51 . 2 1 9 9 LEU H H 1 8.356 . . 1 . . . . 9 L H . 15541 1 52 . 2 1 9 9 LEU CA C 13 51.896 . . 1 . . . . 9 L Ca . 15541 1 53 . 2 1 9 9 LEU CB C 13 43.930 . . 1 . . . . 9 L Cb . 15541 1 54 . 2 1 9 9 LEU N N 15 121.143 . . 1 . . . . 9 L N . 15541 1 55 . 2 1 10 10 PRO HA H 1 4.448 . . 1 . . . . 10 P Ha . 15541 1 56 . 2 1 10 10 PRO HB2 H 1 2.270 . . 2 . . . . 10 P HB2 . 15541 1 57 . 2 1 10 10 PRO HB3 H 1 1.661 . . 2 . . . . 10 P HB3 . 15541 1 58 . 2 1 10 10 PRO C C 13 175.827 . . 5 . . . . 10 P C . 15541 1 59 . 2 1 10 10 PRO CA C 13 61.694 . . 1 . . . . 10 P Ca . 15541 1 60 . 2 1 10 10 PRO CB C 13 32.205 . . 1 . . . . 10 P Cb . 15541 1 61 . 2 1 11 11 ALA H H 1 8.259 . . 1 . . . . 11 A H . 15541 1 62 . 2 1 11 11 ALA HA H 1 2.772 . . 1 . . . . 11 A Ha . 15541 1 63 . 2 1 11 11 ALA HB1 H 1 0.907 . . 2 . . . . 11 A Hb# . 15541 1 64 . 2 1 11 11 ALA HB2 H 1 0.907 . . 2 . . . . 11 A Hb# . 15541 1 65 . 2 1 11 11 ALA HB3 H 1 0.907 . . 2 . . . . 11 A Hb# . 15541 1 66 . 2 1 11 11 ALA C C 13 174.689 . . 1 . . . . 11 A C . 15541 1 67 . 2 1 11 11 ALA CA C 13 50.469 . . 1 . . . . 11 A Ca . 15541 1 68 . 2 1 11 11 ALA CB C 13 15.942 . . 1 . . . . 11 A Cb . 15541 1 69 . 2 1 11 11 ALA N N 15 124.521 . . 1 . . . . 11 A N . 15541 1 70 . 2 1 12 12 ARG H H 1 6.909 . . 1 . . . . 12 R H . 15541 1 71 . 2 1 12 12 ARG HA H 1 4.441 . . 1 . . . . 12 R Ha . 15541 1 72 . 2 1 12 12 ARG HB2 H 1 1.978 . . 2 . . . . 12 R HB2 . 15541 1 73 . 2 1 12 12 ARG HB3 H 1 1.693 . . 2 . . . . 12 R HB3 . 15541 1 74 . 2 1 12 12 ARG C C 13 174.118 . . 1 . . . . 12 R C . 15541 1 75 . 2 1 12 12 ARG CA C 13 53.772 . . 1 . . . . 12 R Ca . 15541 1 76 . 2 1 12 12 ARG CB C 13 33.115 . . 1 . . . . 12 R Cb . 15541 1 77 . 2 1 12 12 ARG N N 15 123.093 . . 1 . . . . 12 R N . 15541 1 78 . 2 1 13 13 TYR H H 1 9.404 . . 1 . . . . 13 Y H . 15541 1 79 . 2 1 13 13 TYR HA H 1 3.880 . . 1 . . . . 13 Y Ha . 15541 1 80 . 2 1 13 13 TYR HB2 H 1 2.966 . . 2 . . . . 13 Y Hb# . 15541 1 81 . 2 1 13 13 TYR HB3 H 1 2.966 . . 2 . . . . 13 Y Hb# . 15541 1 82 . 2 1 13 13 TYR C C 13 176.185 . . 1 . . . . 13 Y C . 15541 1 83 . 2 1 13 13 TYR CA C 13 63.126 . . 1 . . . . 13 Y Ca . 15541 1 84 . 2 1 13 13 TYR CB C 13 39.800 . . 1 . . . . 13 Y Cb . 15541 1 85 . 2 1 13 13 TYR N N 15 120.923 . . 1 . . . . 13 Y N . 15541 1 86 . 2 1 14 14 GLN H H 1 8.719 . . 1 . . . . 14 Q H . 15541 1 87 . 2 1 14 14 GLN HA H 1 4.162 . . 1 . . . . 14 Q Ha . 15541 1 88 . 2 1 14 14 GLN HB2 H 1 2.032 . . 2 . . . . 14 Q Hb# . 15541 1 89 . 2 1 14 14 GLN HB3 H 1 2.032 . . 2 . . . . 14 Q Hb# . 15541 1 90 . 2 1 14 14 GLN C C 13 174.771 . . 1 . . . . 14 Q C . 15541 1 91 . 2 1 14 14 GLN CA C 13 57.236 . . 1 . . . . 14 Q Ca . 15541 1 92 . 2 1 14 14 GLN CB C 13 27.974 . . 1 . . . . 14 Q Cb . 15541 1 93 . 2 1 14 14 GLN N N 15 117.923 . . 1 . . . . 14 Q N . 15541 1 94 . 2 1 15 15 LEU H H 1 7.618 . . 1 . . . . 15 L H . 15541 1 95 . 2 1 15 15 LEU CA C 13 53.955 . . 1 . . . . 15 L Ca . 15541 1 96 . 2 1 15 15 LEU CB C 13 44.322 . . 1 . . . . 15 L Cb . 15541 1 97 . 2 1 15 15 LEU N N 15 123.403 . . 1 . . . . 15 L N . 15541 1 98 . 2 1 17 17 THR HA H 1 3.832 . . 1 . . . . 17 T Ha . 15541 1 99 . 2 1 17 17 THR HB H 1 4.288 . . 1 . . . . 17 T Hb . 15541 1 100 . 2 1 17 17 THR C C 13 178.469 . . 5 . . . . 17 T C . 15541 1 101 . 2 1 17 17 THR CA C 13 65.650 . . 1 . . . . 17 T Ca . 15541 1 102 . 2 1 17 17 THR CB C 13 68.477 . . 1 . . . . 17 T Cb . 15541 1 103 . 2 1 18 18 GLN H H 1 8.413 . . 1 . . . . 18 Q H . 15541 1 104 . 2 1 18 18 GLN HA H 1 4.305 . . 1 . . . . 18 Q Ha . 15541 1 105 . 2 1 18 18 GLN HB2 H 1 2.269 . . 2 . . . . 18 Q Hb# . 15541 1 106 . 2 1 18 18 GLN HB3 H 1 2.269 . . 2 . . . . 18 Q Hb# . 15541 1 107 . 2 1 18 18 GLN C C 13 178.501 . . 1 . . . . 18 Q C . 15541 1 108 . 2 1 18 18 GLN CA C 13 59.080 . . 1 . . . . 18 Q Ca . 15541 1 109 . 2 1 18 18 GLN CB C 13 27.995 . . 1 . . . . 18 Q Cb . 15541 1 110 . 2 1 18 18 GLN N N 15 124.742 . . 1 . . . . 18 Q N . 15541 1 111 . 2 1 19 19 ALA H H 1 7.840 . . 1 . . . . 19 A H . 15541 1 112 . 2 1 19 19 ALA HA H 1 4.159 . . 1 . . . . 19 A Ha . 15541 1 113 . 2 1 19 19 ALA HB1 H 1 1.524 . . 2 . . . . 19 A Hb# . 15541 1 114 . 2 1 19 19 ALA HB2 H 1 1.524 . . 2 . . . . 19 A Hb# . 15541 1 115 . 2 1 19 19 ALA HB3 H 1 1.524 . . 2 . . . . 19 A Hb# . 15541 1 116 . 2 1 19 19 ALA C C 13 180.977 . . 1 . . . . 19 A C . 15541 1 117 . 2 1 19 19 ALA CA C 13 54.875 . . 1 . . . . 19 A Ca . 15541 1 118 . 2 1 19 19 ALA CB C 13 17.983 . . 1 . . . . 19 A Cb . 15541 1 119 . 2 1 19 19 ALA N N 15 123.908 . . 1 . . . . 19 A N . 15541 1 120 . 2 1 20 20 LEU H H 1 8.092 . . 1 . . . . 20 L H . 15541 1 121 . 2 1 20 20 LEU HA H 1 4.078 . . 1 . . . . 20 L Ha . 15541 1 122 . 2 1 20 20 LEU HB2 H 1 2.019 . . 2 . . . . 20 L HB2 . 15541 1 123 . 2 1 20 20 LEU HB3 H 1 1.558 . . 2 . . . . 20 L HB3 . 15541 1 124 . 2 1 20 20 LEU C C 13 177.728 . . 1 . . . . 20 L C . 15541 1 125 . 2 1 20 20 LEU CA C 13 58.280 . . 1 . . . . 20 L Ca . 15541 1 126 . 2 1 20 20 LEU CB C 13 42.250 . . 1 . . . . 20 L Cb . 15541 1 127 . 2 1 20 20 LEU N N 15 118.590 . . 1 . . . . 20 L N . 15541 1 128 . 2 1 21 21 SER H H 1 7.915 . . 1 . . . . 21 S H . 15541 1 129 . 2 1 21 21 SER HA H 1 4.035 . . 1 . . . . 21 S Ha . 15541 1 130 . 2 1 21 21 SER HB2 H 1 4.196 . . 2 . . . . 21 S HB2 . 15541 1 131 . 2 1 21 21 SER HB3 H 1 4.206 . . 2 . . . . 21 S HB3 . 15541 1 132 . 2 1 21 21 SER C C 13 176.660 . . 1 . . . . 21 S C . 15541 1 133 . 2 1 21 21 SER CA C 13 62.264 . . 1 . . . . 21 S Ca . 15541 1 134 . 2 1 21 21 SER CB C 13 62.755 . . 1 . . . . 21 S Cb . 15541 1 135 . 2 1 21 21 SER N N 15 113.785 . . 1 . . . . 21 S N . 15541 1 136 . 2 1 22 22 LEU H H 1 7.723 . . 1 . . . . 22 L H . 15541 1 137 . 2 1 22 22 LEU HA H 1 4.103 . . 1 . . . . 22 L Ha . 15541 1 138 . 2 1 22 22 LEU HB2 H 1 1.778 . . 2 . . . . 22 L Hb# . 15541 1 139 . 2 1 22 22 LEU HB3 H 1 1.778 . . 2 . . . . 22 L Hb# . 15541 1 140 . 2 1 22 22 LEU C C 13 179.668 . . 1 . . . . 22 L C . 15541 1 141 . 2 1 22 22 LEU CA C 13 58.064 . . 1 . . . . 22 L Ca . 15541 1 142 . 2 1 22 22 LEU CB C 13 41.620 . . 1 . . . . 22 L Cb . 15541 1 143 . 2 1 22 22 LEU N N 15 121.709 . . 1 . . . . 22 L N . 15541 1 144 . 2 1 23 23 ARG H H 1 8.004 . . 1 . . . . 23 R H . 15541 1 145 . 2 1 23 23 ARG HA H 1 4.262 . . 1 . . . . 23 R Ha . 15541 1 146 . 2 1 23 23 ARG HB2 H 1 2.179 . . 2 . . . . 23 R Hb# . 15541 1 147 . 2 1 23 23 ARG HB3 H 1 2.179 . . 2 . . . . 23 R Hb# . 15541 1 148 . 2 1 23 23 ARG C C 13 178.663 . . 1 . . . . 23 R C . 15541 1 149 . 2 1 23 23 ARG CA C 13 58.165 . . 1 . . . . 23 R Ca . 15541 1 150 . 2 1 23 23 ARG CB C 13 29.614 . . 1 . . . . 23 R Cb . 15541 1 151 . 2 1 23 23 ARG N N 15 119.837 . . 1 . . . . 23 R N . 15541 1 152 . 2 1 24 24 PHE H H 1 8.691 . . 1 . . . . 24 F H . 15541 1 153 . 2 1 24 24 PHE HA H 1 4.218 . . 1 . . . . 24 F Ha . 15541 1 154 . 2 1 24 24 PHE HB2 H 1 2.850 . . 2 . . . . 24 F HB2 . 15541 1 155 . 2 1 24 24 PHE HB3 H 1 2.653 . . 2 . . . . 24 F HB3 . 15541 1 156 . 2 1 24 24 PHE C C 13 176.321 . . 1 . . . . 24 F C . 15541 1 157 . 2 1 24 24 PHE CA C 13 60.635 . . 1 . . . . 24 F Ca . 15541 1 158 . 2 1 24 24 PHE CB C 13 38.691 . . 1 . . . . 24 F Cb . 15541 1 159 . 2 1 24 24 PHE N N 15 119.826 . . 1 . . . . 24 F N . 15541 1 160 . 2 1 25 25 GLN H H 1 7.877 . . 1 . . . . 25 Q H . 15541 1 161 . 2 1 25 25 GLN HA H 1 3.507 . . 1 . . . . 25 Q Ha . 15541 1 162 . 2 1 25 25 GLN HB2 H 1 2.056 . . 2 . . . . 25 Q Hb# . 15541 1 163 . 2 1 25 25 GLN HB3 H 1 2.056 . . 2 . . . . 25 Q Hb# . 15541 1 164 . 2 1 25 25 GLN C C 13 178.722 . . 1 . . . . 25 Q C . 15541 1 165 . 2 1 25 25 GLN CA C 13 58.974 . . 1 . . . . 25 Q Ca . 15541 1 166 . 2 1 25 25 GLN CB C 13 28.494 . . 1 . . . . 25 Q Cb . 15541 1 167 . 2 1 25 25 GLN N N 15 117.359 . . 1 . . . . 25 Q N . 15541 1 168 . 2 1 26 26 ASP H H 1 7.721 . . 1 . . . . 26 D H . 15541 1 169 . 2 1 26 26 ASP HA H 1 4.367 . . 1 . . . . 26 D Ha . 15541 1 170 . 2 1 26 26 ASP HB2 H 1 2.822 . . 2 . . . . 26 D HB2 . 15541 1 171 . 2 1 26 26 ASP HB3 H 1 2.725 . . 2 . . . . 26 D HB3 . 15541 1 172 . 2 1 26 26 ASP C C 13 178.966 . . 1 . . . . 26 D C . 15541 1 173 . 2 1 26 26 ASP CA C 13 57.456 . . 1 . . . . 26 D Ca . 15541 1 174 . 2 1 26 26 ASP CB C 13 41.158 . . 1 . . . . 26 D Cb . 15541 1 175 . 2 1 26 26 ASP N N 15 119.404 . . 1 . . . . 26 D N . 15541 1 176 . 2 1 27 27 LEU H H 1 8.292 . . 1 . . . . 27 L H . 15541 1 177 . 2 1 27 27 LEU HA H 1 4.054 . . 1 . . . . 27 L Ha . 15541 1 178 . 2 1 27 27 LEU HB2 H 1 1.887 . . 2 . . . . 27 L HB2 . 15541 1 179 . 2 1 27 27 LEU HB3 H 1 1.404 . . 2 . . . . 27 L HB3 . 15541 1 180 . 2 1 27 27 LEU C C 13 179.110 . . 1 . . . . 27 L C . 15541 1 181 . 2 1 27 27 LEU CA C 13 58.043 . . 1 . . . . 27 L Ca . 15541 1 182 . 2 1 27 27 LEU CB C 13 42.561 . . 1 . . . . 27 L Cb . 15541 1 183 . 2 1 27 27 LEU N N 15 121.178 . . 1 . . . . 27 L N . 15541 1 184 . 2 1 28 28 GLN H H 1 8.374 . . 1 . . . . 28 Q H . 15541 1 185 . 2 1 28 28 GLN HA H 1 3.985 . . 1 . . . . 28 Q Ha . 15541 1 186 . 2 1 28 28 GLN HB2 H 1 1.653 . . 2 . . . . 28 Q Hb# . 15541 1 187 . 2 1 28 28 GLN HB3 H 1 1.653 . . 2 . . . . 28 Q Hb# . 15541 1 188 . 2 1 28 28 GLN C C 13 179.071 . . 1 . . . . 28 Q C . 15541 1 189 . 2 1 28 28 GLN CA C 13 58.798 . . 1 . . . . 28 Q Ca . 15541 1 190 . 2 1 28 28 GLN CB C 13 28.795 . . 1 . . . . 28 Q Cb . 15541 1 191 . 2 1 28 28 GLN N N 15 117.115 . . 1 . . . . 28 Q N . 15541 1 192 . 2 1 29 29 ARG H H 1 7.395 . . 1 . . . . 29 R H . 15541 1 193 . 2 1 29 29 ARG HA H 1 3.998 . . 1 . . . . 29 R Ha . 15541 1 194 . 2 1 29 29 ARG HB2 H 1 1.882 . . 2 . . . . 29 R Hb# . 15541 1 195 . 2 1 29 29 ARG HB3 H 1 1.882 . . 2 . . . . 29 R Hb# . 15541 1 196 . 2 1 29 29 ARG C C 13 178.559 . . 1 . . . . 29 R C . 15541 1 197 . 2 1 29 29 ARG CA C 13 58.916 . . 1 . . . . 29 R Ca . 15541 1 198 . 2 1 29 29 ARG CB C 13 30.213 . . 1 . . . . 29 R Cb . 15541 1 199 . 2 1 29 29 ARG N N 15 117.287 . . 1 . . . . 29 R N . 15541 1 200 . 2 1 30 30 GLN H H 1 7.694 . . 1 . . . . 30 Q H . 15541 1 201 . 2 1 30 30 GLN HA H 1 3.861 . . 1 . . . . 30 Q Ha . 15541 1 202 . 2 1 30 30 GLN HB2 H 1 1.939 . . 2 . . . . 30 Q HB2 . 15541 1 203 . 2 1 30 30 GLN HB3 H 1 1.776 . . 2 . . . . 30 Q HB3 . 15541 1 204 . 2 1 30 30 GLN C C 13 176.447 . . 1 . . . . 30 Q C . 15541 1 205 . 2 1 30 30 GLN CA C 13 58.152 . . 1 . . . . 30 Q Ca . 15541 1 206 . 2 1 30 30 GLN CB C 13 28.743 . . 1 . . . . 30 Q Cb . 15541 1 207 . 2 1 30 30 GLN N N 15 118.110 . . 1 . . . . 30 Q N . 15541 1 208 . 2 1 31 31 TYR H H 1 7.380 . . 1 . . . . 31 Y H . 15541 1 209 . 2 1 31 31 TYR HA H 1 4.744 . . 1 . . . . 31 Y Ha . 15541 1 210 . 2 1 31 31 TYR HB2 H 1 3.401 . . 2 . . . . 31 Y HB2 . 15541 1 211 . 2 1 31 31 TYR HB3 H 1 2.459 . . 2 . . . . 31 Y HB3 . 15541 1 212 . 2 1 31 31 TYR C C 13 173.391 . . 1 . . . . 31 Y C . 15541 1 213 . 2 1 31 31 TYR CA C 13 57.723 . . 1 . . . . 31 Y Ca . 15541 1 214 . 2 1 31 31 TYR CB C 13 38.007 . . 1 . . . . 31 Y Cb . 15541 1 215 . 2 1 31 31 TYR N N 15 114.440 . . 1 . . . . 31 Y N . 15541 1 216 . 2 1 32 32 HIS H H 1 7.027 . . 1 . . . . 32 H H . 15541 1 217 . 2 1 32 32 HIS CA C 13 56.340 . . 1 . . . . 32 H Ca . 15541 1 218 . 2 1 32 32 HIS CB C 13 31.992 . . 1 . . . . 32 H Cb . 15541 1 219 . 2 1 32 32 HIS N N 15 122.282 . . 1 . . . . 32 H N . 15541 1 220 . 2 1 33 33 PRO HA H 1 4.248 . . 1 . . . . 33 P Ha . 15541 1 221 . 2 1 33 33 PRO HB2 H 1 2.288 . . 2 . . . . 33 P HB2 . 15541 1 222 . 2 1 33 33 PRO HB3 H 1 1.950 . . 2 . . . . 33 P HB3 . 15541 1 223 . 2 1 33 33 PRO C C 13 179.188 . . 1 . . . . 33 P C . 15541 1 224 . 2 1 33 33 PRO CA C 13 65.441 . . 1 . . . . 33 P Ca . 15541 1 225 . 2 1 33 33 PRO CB C 13 32.074 . . 1 . . . . 33 P Cb . 15541 1 226 . 2 1 34 34 ASP H H 1 10.430 . . 1 . . . . 34 D H . 15541 1 227 . 2 1 34 34 ASP HA H 1 4.465 . . 1 . . . . 34 D Ha . 15541 1 228 . 2 1 34 34 ASP HB2 H 1 2.702 . . 2 . . . . 34 D Hb# . 15541 1 229 . 2 1 34 34 ASP HB3 H 1 2.702 . . 2 . . . . 34 D Hb# . 15541 1 230 . 2 1 34 34 ASP C C 13 178.925 . . 1 . . . . 34 D C . 15541 1 231 . 2 1 34 34 ASP CA C 13 56.962 . . 1 . . . . 34 D Ca . 15541 1 232 . 2 1 34 34 ASP CB C 13 39.938 . . 1 . . . . 34 D Cb . 15541 1 233 . 2 1 34 34 ASP N N 15 121.475 . . 1 . . . . 34 D N . 15541 1 234 . 2 1 35 35 LYS H H 1 8.169 . . 1 . . . . 35 K H . 15541 1 235 . 2 1 35 35 LYS HA H 1 4.004 . . 1 . . . . 35 K Ha . 15541 1 236 . 2 1 35 35 LYS HB2 H 1 1.712 . . 2 . . . . 35 K HB2 . 15541 1 237 . 2 1 35 35 LYS HB3 H 1 1.441 . . 2 . . . . 35 K HB3 . 15541 1 238 . 2 1 35 35 LYS C C 13 177.091 . . 1 . . . . 35 K C . 15541 1 239 . 2 1 35 35 LYS CA C 13 57.239 . . 1 . . . . 35 K Ca . 15541 1 240 . 2 1 35 35 LYS CB C 13 31.921 . . 1 . . . . 35 K Cb . 15541 1 241 . 2 1 35 35 LYS N N 15 118.577 . . 1 . . . . 35 K N . 15541 1 242 . 2 1 36 36 PHE H H 1 7.612 . . 1 . . . . 36 F H . 15541 1 243 . 2 1 36 36 PHE HA H 1 4.635 . . 1 . . . . 36 F Ha . 15541 1 244 . 2 1 36 36 PHE HB2 H 1 3.303 . . 2 . . . . 36 F HB2 . 15541 1 245 . 2 1 36 36 PHE HB3 H 1 2.758 . . 2 . . . . 36 F HB3 . 15541 1 246 . 2 1 36 36 PHE C C 13 176.040 . . 1 . . . . 36 F C . 15541 1 247 . 2 1 36 36 PHE CA C 13 57.446 . . 1 . . . . 36 F Ca . 15541 1 248 . 2 1 36 36 PHE CB C 13 39.620 . . 1 . . . . 36 F Cb . 15541 1 249 . 2 1 36 36 PHE N N 15 116.828 . . 1 . . . . 36 F N . 15541 1 250 . 2 1 37 37 ALA H H 1 7.381 . . 1 . . . . 37 A H . 15541 1 251 . 2 1 37 37 ALA HB1 H 1 1.485 . . 2 . . . . 37 A Hb# . 15541 1 252 . 2 1 37 37 ALA HB2 H 1 1.485 . . 2 . . . . 37 A Hb# . 15541 1 253 . 2 1 37 37 ALA HB3 H 1 1.485 . . 2 . . . . 37 A Hb# . 15541 1 254 . 2 1 37 37 ALA CA C 13 54.671 . . 1 . . . . 37 A Ca . 15541 1 255 . 2 1 37 37 ALA CB C 13 19.097 . . 1 . . . . 37 A Cb . 15541 1 256 . 2 1 37 37 ALA N N 15 123.930 . . 1 . . . . 37 A N . 15541 1 257 . 2 1 38 38 SER HA H 1 4.581 . . 1 . . . . 38 S Ha . 15541 1 258 . 2 1 38 38 SER HB2 H 1 3.894 . . 2 . . . . 38 S Hb# . 15541 1 259 . 2 1 38 38 SER HB3 H 1 3.894 . . 2 . . . . 38 S Hb# . 15541 1 260 . 2 1 38 38 SER C C 13 174.898 . . 1 . . . . 38 S C . 15541 1 261 . 2 1 38 38 SER CA C 13 58.048 . . 1 . . . . 38 S Ca . 15541 1 262 . 2 1 38 38 SER CB C 13 63.738 . . 1 . . . . 38 S Cb . 15541 1 263 . 2 1 39 39 GLY H H 1 7.994 . . 1 . . . . 39 G H . 15541 1 264 . 2 1 39 39 GLY HA2 H 1 4.367 . . 2 . . . . 39 G Ha2 . 15541 1 265 . 2 1 39 39 GLY HA3 H 1 3.876 . . 2 . . . . 39 G Ha3 . 15541 1 266 . 2 1 39 39 GLY C C 13 173.689 . . 1 . . . . 39 G C . 15541 1 267 . 2 1 39 39 GLY CA C 13 44.572 . . 1 . . . . 39 G Ca . 15541 1 268 . 2 1 39 39 GLY N N 15 110.383 . . 1 . . . . 39 G N . 15541 1 269 . 2 1 40 40 SER H H 1 8.656 . . 1 . . . . 40 S H . 15541 1 270 . 2 1 40 40 SER CA C 13 57.584 . . 1 . . . . 40 S Ca . 15541 1 271 . 2 1 40 40 SER CB C 13 65.070 . . 1 . . . . 40 S Cb . 15541 1 272 . 2 1 40 40 SER N N 15 115.760 . . 1 . . . . 40 S N . 15541 1 273 . 2 1 42 42 ALA HA H 1 4.101 . . 1 . . . . 42 A Ha . 15541 1 274 . 2 1 42 42 ALA HB1 H 1 1.424 . . 2 . . . . 42 A Hb# . 15541 1 275 . 2 1 42 42 ALA HB2 H 1 1.424 . . 2 . . . . 42 A Hb# . 15541 1 276 . 2 1 42 42 ALA HB3 H 1 1.424 . . 2 . . . . 42 A Hb# . 15541 1 277 . 2 1 42 42 ALA C C 13 180.870 . . 1 . . . . 42 A C . 15541 1 278 . 2 1 42 42 ALA CA C 13 55.234 . . 1 . . . . 42 A Ca . 15541 1 279 . 2 1 42 42 ALA CB C 13 18.285 . . 1 . . . . 42 A Cb . 15541 1 280 . 2 1 43 43 GLU H H 1 7.828 . . 1 . . . . 43 E H . 15541 1 281 . 2 1 43 43 GLU HA H 1 3.991 . . 1 . . . . 43 E Ha . 15541 1 282 . 2 1 43 43 GLU C C 13 179.297 . . 5 . . . . 43 E C . 15541 1 283 . 2 1 43 43 GLU CA C 13 59.078 . . 1 . . . . 43 E Ca . 15541 1 284 . 2 1 43 43 GLU CB C 13 29.894 . . 1 . . . . 43 E Cb . 15541 1 285 . 2 1 43 43 GLU N N 15 119.384 . . 1 . . . . 43 E N . 15541 1 286 . 2 1 44 44 GLN H H 1 8.213 . . 1 . . . . 44 Q H . 15541 1 287 . 2 1 44 44 GLN HA H 1 3.865 . . 1 . . . . 44 Q Ha . 15541 1 288 . 2 1 44 44 GLN HB2 H 1 2.123 . . 2 . . . . 44 Q Hb# . 15541 1 289 . 2 1 44 44 GLN HB3 H 1 2.123 . . 2 . . . . 44 Q Hb# . 15541 1 290 . 2 1 44 44 GLN C C 13 178.627 . . 1 . . . . 44 Q C . 15541 1 291 . 2 1 44 44 GLN CA C 13 59.429 . . 1 . . . . 44 Q Ca . 15541 1 292 . 2 1 44 44 GLN CB C 13 28.331 . . 1 . . . . 44 Q Cb . 15541 1 293 . 2 1 44 44 GLN N N 15 119.946 . . 1 . . . . 44 Q N . 15541 1 294 . 2 1 45 45 LEU H H 1 8.283 . . 1 . . . . 45 L H . 15541 1 295 . 2 1 45 45 LEU HA H 1 4.074 . . 1 . . . . 45 L Ha . 15541 1 296 . 2 1 45 45 LEU HB2 H 1 1.740 . . 2 . . . . 45 L HB2 . 15541 1 297 . 2 1 45 45 LEU HB3 H 1 1.600 . . 2 . . . . 45 L HB3 . 15541 1 298 . 2 1 45 45 LEU C C 13 179.413 . . 1 . . . . 45 L C . 15541 1 299 . 2 1 45 45 LEU CB C 13 41.598 . . 1 . . . . 45 L Cb . 15541 1 300 . 2 1 45 45 LEU N N 15 119.983 . . 1 . . . . 45 L N . 15541 1 301 . 2 1 46 46 ALA H H 1 7.819 . . 1 . . . . 46 A H . 15541 1 302 . 2 1 46 46 ALA HA H 1 4.125 . . 1 . . . . 46 A Ha . 15541 1 303 . 2 1 46 46 ALA HB1 H 1 1.426 . . 2 . . . . 46 A Hb# . 15541 1 304 . 2 1 46 46 ALA HB2 H 1 1.426 . . 2 . . . . 46 A Hb# . 15541 1 305 . 2 1 46 46 ALA HB3 H 1 1.426 . . 2 . . . . 46 A Hb# . 15541 1 306 . 2 1 46 46 ALA C C 13 180.118 . . 1 . . . . 46 A C . 15541 1 307 . 2 1 46 46 ALA CA C 13 54.822 . . 1 . . . . 46 A Ca . 15541 1 308 . 2 1 46 46 ALA CB C 13 17.811 . . 1 . . . . 46 A Cb . 15541 1 309 . 2 1 46 46 ALA N N 15 121.505 . . 1 . . . . 46 A N . 15541 1 310 . 2 1 47 47 ALA H H 1 7.533 . . 1 . . . . 47 A H . 15541 1 311 . 2 1 47 47 ALA HA H 1 3.999 . . 1 . . . . 47 A Ha . 15541 1 312 . 2 1 47 47 ALA HB1 H 1 1.111 . . 2 . . . . 47 A Hb# . 15541 1 313 . 2 1 47 47 ALA HB2 H 1 1.111 . . 2 . . . . 47 A Hb# . 15541 1 314 . 2 1 47 47 ALA HB3 H 1 1.111 . . 2 . . . . 47 A Hb# . 15541 1 315 . 2 1 47 47 ALA C C 13 180.065 . . 1 . . . . 47 A C . 15541 1 316 . 2 1 47 47 ALA CA C 13 55.300 . . 1 . . . . 47 A Ca . 15541 1 317 . 2 1 47 47 ALA CB C 13 17.841 . . 1 . . . . 47 A Cb . 15541 1 318 . 2 1 47 47 ALA N N 15 121.344 . . 1 . . . . 47 A N . 15541 1 319 . 2 1 48 48 VAL H H 1 7.817 . . 1 . . . . 48 V H . 15541 1 320 . 2 1 48 48 VAL HA H 1 3.660 . . 1 . . . . 48 V Ha . 15541 1 321 . 2 1 48 48 VAL HB H 1 2.237 . . 1 . . . . 48 V Hb . 15541 1 322 . 2 1 48 48 VAL C C 13 179.184 . . 1 . . . . 48 V C . 15541 1 323 . 2 1 48 48 VAL CA C 13 66.401 . . 1 . . . . 48 V Ca . 15541 1 324 . 2 1 48 48 VAL CB C 13 31.839 . . 1 . . . . 48 V Cb . 15541 1 325 . 2 1 48 48 VAL N N 15 120.222 . . 1 . . . . 48 V N . 15541 1 326 . 2 1 49 49 GLN H H 1 7.992 . . 1 . . . . 49 Q H . 15541 1 327 . 2 1 49 49 GLN HA H 1 4.092 . . 1 . . . . 49 Q Ha . 15541 1 328 . 2 1 49 49 GLN HB2 H 1 2.119 . . 2 . . . . 49 Q Hb# . 15541 1 329 . 2 1 49 49 GLN HB3 H 1 2.119 . . 2 . . . . 49 Q Hb# . 15541 1 330 . 2 1 49 49 GLN C C 13 179.008 . . 1 . . . . 49 Q C . 15541 1 331 . 2 1 49 49 GLN CA C 13 58.715 . . 1 . . . . 49 Q Ca . 15541 1 332 . 2 1 49 49 GLN CB C 13 28.187 . . 1 . . . . 49 Q Cb . 15541 1 333 . 2 1 49 49 GLN N N 15 120.083 . . 1 . . . . 49 Q N . 15541 1 334 . 2 1 50 50 GLN H H 1 8.347 . . 1 . . . . 50 Q H . 15541 1 335 . 2 1 50 50 GLN HA H 1 4.046 . . 1 . . . . 50 Q Ha . 15541 1 336 . 2 1 50 50 GLN HB2 H 1 1.646 . . 2 . . . . 50 Q Hb# . 15541 1 337 . 2 1 50 50 GLN HB3 H 1 1.646 . . 2 . . . . 50 Q Hb# . 15541 1 338 . 2 1 50 50 GLN C C 13 178.542 . . 1 . . . . 50 Q C . 15541 1 339 . 2 1 50 50 GLN CA C 13 58.472 . . 1 . . . . 50 Q Ca . 15541 1 340 . 2 1 50 50 GLN CB C 13 28.005 . . 1 . . . . 50 Q Cb . 15541 1 341 . 2 1 50 50 GLN N N 15 120.481 . . 1 . . . . 50 Q N . 15541 1 342 . 2 1 51 51 SER H H 1 8.339 . . 1 . . . . 51 S H . 15541 1 343 . 2 1 51 51 SER HA H 1 3.991 . . 1 . . . . 51 S Ha . 15541 1 344 . 2 1 51 51 SER HB2 H 1 3.880 . . 2 . . . . 51 S Hb# . 15541 1 345 . 2 1 51 51 SER HB3 H 1 3.880 . . 2 . . . . 51 S Hb# . 15541 1 346 . 2 1 51 51 SER C C 13 176.757 . . 1 . . . . 51 S C . 15541 1 347 . 2 1 51 51 SER CA C 13 62.555 . . 1 . . . . 51 S Ca . 15541 1 348 . 2 1 51 51 SER CB C 13 62.555 . . 1 . . . . 51 S Cb . 15541 1 349 . 2 1 51 51 SER N N 15 114.820 . . 1 . . . . 51 S N . 15541 1 350 . 2 1 52 52 ALA H H 1 7.980 . . 1 . . . . 52 A H . 15541 1 351 . 2 1 52 52 ALA HA H 1 4.269 . . 1 . . . . 52 A Ha . 15541 1 352 . 2 1 52 52 ALA HB1 H 1 1.548 . . 2 . . . . 52 A Hb# . 15541 1 353 . 2 1 52 52 ALA HB2 H 1 1.548 . . 2 . . . . 52 A Hb# . 15541 1 354 . 2 1 52 52 ALA HB3 H 1 1.548 . . 2 . . . . 52 A Hb# . 15541 1 355 . 2 1 52 52 ALA C C 13 180.706 . . 1 . . . . 52 A C . 15541 1 356 . 2 1 52 52 ALA CA C 13 55.368 . . 1 . . . . 52 A Ca . 15541 1 357 . 2 1 52 52 ALA CB C 13 17.714 . . 1 . . . . 52 A Cb . 15541 1 358 . 2 1 52 52 ALA N N 15 124.436 . . 1 . . . . 52 A N . 15541 1 359 . 2 1 53 53 THR H H 1 8.061 . . 1 . . . . 53 T H . 15541 1 360 . 2 1 53 53 THR HA H 1 3.926 . . 1 . . . . 53 T Ha . 15541 1 361 . 2 1 53 53 THR C C 13 175.757 . . 1 . . . . 53 T C . 15541 1 362 . 2 1 53 53 THR CA C 13 66.996 . . 1 . . . . 53 T Ca . 15541 1 363 . 2 1 53 53 THR CB C 13 68.776 . . 1 . . . . 53 T Cb . 15541 1 364 . 2 1 53 53 THR N N 15 117.990 . . 1 . . . . 53 T N . 15541 1 365 . 2 1 54 54 ILE H H 1 8.285 . . 1 . . . . 54 I H . 15541 1 366 . 2 1 54 54 ILE HA H 1 3.582 . . 1 . . . . 54 I Ha . 15541 1 367 . 2 1 54 54 ILE HB H 1 1.974 . . 1 . . . . 54 I Hb . 15541 1 368 . 2 1 54 54 ILE C C 13 177.517 . . 1 . . . . 54 I C . 15541 1 369 . 2 1 54 54 ILE CA C 13 65.642 . . 1 . . . . 54 I Ca . 15541 1 370 . 2 1 54 54 ILE CB C 13 37.957 . . 1 . . . . 54 I Cb . 15541 1 371 . 2 1 54 54 ILE N N 15 120.927 . . 1 . . . . 54 I N . 15541 1 372 . 2 1 55 55 ASN H H 1 7.995 . . 1 . . . . 55 N H . 15541 1 373 . 2 1 55 55 ASN HA H 1 4.686 . . 1 . . . . 55 N Ha . 15541 1 374 . 2 1 55 55 ASN HB2 H 1 2.990 . . 2 . . . . 55 N HB2 . 15541 1 375 . 2 1 55 55 ASN HB3 H 1 2.900 . . 2 . . . . 55 N HB3 . 15541 1 376 . 2 1 55 55 ASN C C 13 177.191 . . 1 . . . . 55 N C . 15541 1 377 . 2 1 55 55 ASN CA C 13 57.545 . . 1 . . . . 55 N Ca . 15541 1 378 . 2 1 55 55 ASN CB C 13 39.219 . . 1 . . . . 55 N Cb . 15541 1 379 . 2 1 55 55 ASN N N 15 118.211 . . 1 . . . . 55 N N . 15541 1 380 . 2 1 56 56 GLN H H 1 8.069 . . 1 . . . . 56 Q H . 15541 1 381 . 2 1 56 56 GLN HA H 1 3.908 . . 1 . . . . 56 Q Ha . 15541 1 382 . 2 1 56 56 GLN HB2 H 1 2.091 . . 2 . . . . 56 Q Hb# . 15541 1 383 . 2 1 56 56 GLN HB3 H 1 2.091 . . 2 . . . . 56 Q Hb# . 15541 1 384 . 2 1 56 56 GLN C C 13 178.469 . . 5 . . . . 56 Q C . 15541 1 385 . 2 1 56 56 GLN CA C 13 58.878 . . 1 . . . . 56 Q Ca . 15541 1 386 . 2 1 56 56 GLN CB C 13 28.218 . . 1 . . . . 56 Q Cb . 15541 1 387 . 2 1 56 56 GLN N N 15 120.114 . . 1 . . . . 56 Q N . 15541 1 388 . 2 1 57 57 ALA H H 1 8.443 . . 1 . . . . 57 A H . 15541 1 389 . 2 1 57 57 ALA HA H 1 2.518 . . 1 . . . . 57 A Ha . 15541 1 390 . 2 1 57 57 ALA HB1 H 1 0.967 . . 2 . . . . 57 A Hb# . 15541 1 391 . 2 1 57 57 ALA HB2 H 1 0.967 . . 2 . . . . 57 A Hb# . 15541 1 392 . 2 1 57 57 ALA HB3 H 1 0.967 . . 2 . . . . 57 A Hb# . 15541 1 393 . 2 1 57 57 ALA C C 13 178.409 . . 1 . . . . 57 A C . 15541 1 394 . 2 1 57 57 ALA CA C 13 54.823 . . 1 . . . . 57 A Ca . 15541 1 395 . 2 1 57 57 ALA CB C 13 19.771 . . 1 . . . . 57 A Cb . 15541 1 396 . 2 1 57 57 ALA N N 15 124.711 . . 1 . . . . 57 A N . 15541 1 397 . 2 1 58 58 TRP H H 1 8.234 . . 1 . . . . 58 W H . 15541 1 398 . 2 1 58 58 TRP HA H 1 3.891 . . 1 . . . . 58 W Ha . 15541 1 399 . 2 1 58 58 TRP HB2 H 1 3.021 . . 2 . . . . 58 W Hb# . 15541 1 400 . 2 1 58 58 TRP HB3 H 1 3.021 . . 2 . . . . 58 W Hb# . 15541 1 401 . 2 1 58 58 TRP C C 13 176.465 . . 1 . . . . 58 W C . 15541 1 402 . 2 1 58 58 TRP CA C 13 60.089 . . 1 . . . . 58 W Ca . 15541 1 403 . 2 1 58 58 TRP CB C 13 29.979 . . 1 . . . . 58 W Cb . 15541 1 404 . 2 1 58 58 TRP N N 15 119.216 . . 1 . . . . 58 W N . 15541 1 405 . 2 1 59 59 GLN H H 1 7.896 . . 1 . . . . 59 Q H . 15541 1 406 . 2 1 59 59 GLN HA H 1 3.204 . . 1 . . . . 59 Q Ha . 15541 1 407 . 2 1 59 59 GLN HB2 H 1 1.931 . . 2 . . . . 59 Q Hb# . 15541 1 408 . 2 1 59 59 GLN HB3 H 1 1.931 . . 2 . . . . 59 Q Hb# . 15541 1 409 . 2 1 59 59 GLN C C 13 178.047 . . 1 . . . . 59 Q C . 15541 1 410 . 2 1 59 59 GLN CA C 13 58.594 . . 1 . . . . 59 Q Ca . 15541 1 411 . 2 1 59 59 GLN CB C 13 28.091 . . 1 . . . . 59 Q Cb . 15541 1 412 . 2 1 59 59 GLN N N 15 115.023 . . 1 . . . . 59 Q N . 15541 1 413 . 2 1 60 60 THR H H 1 7.514 . . 1 . . . . 60 T H . 15541 1 414 . 2 1 60 60 THR HA H 1 3.806 . . 1 . . . . 60 T Ha . 15541 1 415 . 2 1 60 60 THR HB H 1 4.147 . . 1 . . . . 60 T Hb . 15541 1 416 . 2 1 60 60 THR C C 13 173.930 . . 1 . . . . 60 T C . 15541 1 417 . 2 1 60 60 THR CA C 13 66.563 . . 1 . . . . 60 T Ca . 15541 1 418 . 2 1 60 60 THR CB C 13 68.445 . . 1 . . . . 60 T Cb . 15541 1 419 . 2 1 60 60 THR N N 15 113.614 . . 1 . . . . 60 T N . 15541 1 420 . 2 1 61 61 LEU H H 1 7.826 . . 1 . . . . 61 L H . 15541 1 421 . 2 1 61 61 LEU HA H 1 3.678 . . 1 . . . . 61 L Ha . 15541 1 422 . 2 1 61 61 LEU HB2 H 1 1.411 . . 2 . . . . 61 L Hb# . 15541 1 423 . 2 1 61 61 LEU HB3 H 1 1.411 . . 2 . . . . 61 L Hb# . 15541 1 424 . 2 1 61 61 LEU C C 13 178.871 . . 1 . . . . 61 L C . 15541 1 425 . 2 1 61 61 LEU CA C 13 56.724 . . 1 . . . . 61 L Ca . 15541 1 426 . 2 1 61 61 LEU CB C 13 41.718 . . 1 . . . . 61 L Cb . 15541 1 427 . 2 1 61 61 LEU N N 15 114.217 . . 1 . . . . 61 L N . 15541 1 428 . 2 1 62 62 ARG H H 1 8.007 . . 1 . . . . 62 R H . 15541 1 429 . 2 1 62 62 ARG HA H 1 3.549 . . 1 . . . . 62 R Ha . 15541 1 430 . 2 1 62 62 ARG HB2 H 1 1.089 . . 2 . . . . 62 R Hb# . 15541 1 431 . 2 1 62 62 ARG HB3 H 1 1.089 . . 2 . . . . 62 R Hb# . 15541 1 432 . 2 1 62 62 ARG C C 13 175.208 . . 1 . . . . 62 R C . 15541 1 433 . 2 1 62 62 ARG CA C 13 57.454 . . 1 . . . . 62 R Ca . 15541 1 434 . 2 1 62 62 ARG CB C 13 28.669 . . 1 . . . . 62 R Cb . 15541 1 435 . 2 1 62 62 ARG N N 15 116.129 . . 1 . . . . 62 R N . 15541 1 436 . 2 1 63 63 HIS H H 1 6.910 . . 1 . . . . 63 H H . 15541 1 437 . 2 1 63 63 HIS CA C 13 54.452 . . 1 . . . . 63 H Ca . 15541 1 438 . 2 1 63 63 HIS N N 15 123.142 . . 1 . . . . 63 H N . 15541 1 439 . 2 1 68 68 ALA HA H 1 4.207 . . 1 . . . . 68 A Ha . 15541 1 440 . 2 1 68 68 ALA HB1 H 1 1.693 . . 2 . . . . 68 A Hb# . 15541 1 441 . 2 1 68 68 ALA HB2 H 1 1.693 . . 2 . . . . 68 A Hb# . 15541 1 442 . 2 1 68 68 ALA HB3 H 1 1.693 . . 2 . . . . 68 A Hb# . 15541 1 443 . 2 1 68 68 ALA C C 13 179.006 . . 1 . . . . 68 A C . 15541 1 444 . 2 1 68 68 ALA CA C 13 55.865 . . 1 . . . . 68 A Ca . 15541 1 445 . 2 1 68 68 ALA CB C 13 20.171 . . 1 . . . . 68 A Cb . 15541 1 446 . 2 1 69 69 GLU H H 1 8.327 . . 1 . . . . 69 E H . 15541 1 447 . 2 1 69 69 GLU HA H 1 3.842 . . 1 . . . . 69 E Ha . 15541 1 448 . 2 1 69 69 GLU HB2 H 1 2.075 . . 2 . . . . 69 E Hb2 . 15541 1 449 . 2 1 69 69 GLU HB3 H 1 2.292 . . 2 . . . . 69 E Hb3 . 15541 1 450 . 2 1 69 69 GLU C C 13 179.187 . . 1 . . . . 69 E C . 15541 1 451 . 2 1 69 69 GLU CA C 13 60.113 . . 1 . . . . 69 E Ca . 15541 1 452 . 2 1 69 69 GLU CB C 13 29.581 . . 1 . . . . 69 E Cb . 15541 1 453 . 2 1 69 69 GLU N N 15 116.623 . . 1 . . . . 69 E N . 15541 1 454 . 2 1 70 70 TYR H H 1 8.932 . . 1 . . . . 70 Y H . 15541 1 455 . 2 1 70 70 TYR HA H 1 4.263 . . 1 . . . . 70 Y Ha . 15541 1 456 . 2 1 70 70 TYR C C 13 178.578 . . 1 . . . . 70 Y C . 15541 1 457 . 2 1 70 70 TYR CA C 13 62.028 . . 1 . . . . 70 Y Ca . 15541 1 458 . 2 1 70 70 TYR CB C 13 39.075 . . 1 . . . . 70 Y Cb . 15541 1 459 . 2 1 70 70 TYR N N 15 121.607 . . 1 . . . . 70 Y N . 15541 1 460 . 2 1 71 71 LEU H H 1 8.644 . . 1 . . . . 71 L H . 15541 1 461 . 2 1 71 71 LEU HA H 1 3.980 . . 1 . . . . 71 L Ha . 15541 1 462 . 2 1 71 71 LEU HB2 H 1 2.139 . . 2 . . . . 71 L HB2 . 15541 1 463 . 2 1 71 71 LEU HB3 H 1 1.945 . . 2 . . . . 71 L HB3 . 15541 1 464 . 2 1 71 71 LEU C C 13 178.693 . . 1 . . . . 71 L C . 15541 1 465 . 2 1 71 71 LEU CA C 13 58.851 . . 1 . . . . 71 L Ca . 15541 1 466 . 2 1 71 71 LEU CB C 13 42.712 . . 1 . . . . 71 L Cb . 15541 1 467 . 2 1 71 71 LEU N N 15 122.067 . . 1 . . . . 71 L N . 15541 1 468 . 2 1 72 72 LEU H H 1 8.244 . . 1 . . . . 72 L H . 15541 1 469 . 2 1 72 72 LEU C C 13 177.516 . . 1 . . . . 72 L C . 15541 1 470 . 2 1 72 72 LEU CA C 13 58.345 . . 5 . . . . 72 L Ca . 15541 1 471 . 2 1 72 72 LEU CB C 13 40.995 . . 1 . . . . 72 L Cb . 15541 1 472 . 2 1 72 72 LEU N N 15 117.163 . . 1 . . . . 72 L N . 15541 1 473 . 2 1 73 73 SER H H 1 8.163 . . 1 . . . . 73 S H . 15541 1 474 . 2 1 73 73 SER HA H 1 4.404 . . 1 . . . . 73 S Ha . 15541 1 475 . 2 1 73 73 SER HB2 H 1 4.050 . . 2 . . . . 73 S Hb# . 15541 1 476 . 2 1 73 73 SER HB3 H 1 4.050 . . 2 . . . . 73 S Hb# . 15541 1 477 . 2 1 73 73 SER C C 13 177.537 . . 1 . . . . 73 S C . 15541 1 478 . 2 1 73 73 SER CA C 13 61.500 . . 1 . . . . 73 S Ca . 15541 1 479 . 2 1 73 73 SER CB C 13 62.399 . . 1 . . . . 73 S Cb . 15541 1 480 . 2 1 73 73 SER N N 15 119.636 . . 1 . . . . 73 S N . 15541 1 481 . 2 1 74 74 LEU H H 1 7.415 . . 1 . . . . 74 L H . 15541 1 482 . 2 1 74 74 LEU HA H 1 3.927 . . 1 . . . . 74 L Ha . 15541 1 483 . 2 1 74 74 LEU HB2 H 1 1.563 . . 2 . . . . 74 L HB2 . 15541 1 484 . 2 1 74 74 LEU HB3 H 1 1.117 . . 2 . . . . 74 L HB3 . 15541 1 485 . 2 1 74 74 LEU C C 13 177.732 . . 1 . . . . 74 L C . 15541 1 486 . 2 1 74 74 LEU CA C 13 56.394 . . 1 . . . . 74 L Ca . 15541 1 487 . 2 1 74 74 LEU CB C 13 40.680 . . 1 . . . . 74 L Cb . 15541 1 488 . 2 1 74 74 LEU N N 15 123.122 . . 1 . . . . 74 L N . 15541 1 489 . 2 1 75 75 HIS H H 1 7.246 . . 1 . . . . 75 H H . 15541 1 490 . 2 1 75 75 HIS HA H 1 4.353 . . 1 . . . . 75 H Ha . 15541 1 491 . 2 1 75 75 HIS HB2 H 1 2.860 . . 2 . . . . 75 H HB2 . 15541 1 492 . 2 1 75 75 HIS HB3 H 1 1.948 . . 2 . . . . 75 H HB3 . 15541 1 493 . 2 1 75 75 HIS C C 13 174.214 . . 1 . . . . 75 H C . 15541 1 494 . 2 1 75 75 HIS CA C 13 55.592 . . 1 . . . . 75 H Ca . 15541 1 495 . 2 1 75 75 HIS CB C 13 28.916 . . 1 . . . . 75 H Cb . 15541 1 496 . 2 1 75 75 HIS N N 15 115.524 . . 1 . . . . 75 H N . 15541 1 497 . 2 1 76 76 GLY H H 1 7.404 . . 1 . . . . 76 G H . 15541 1 498 . 2 1 76 76 GLY HA2 H 1 3.990 . . 2 . . . . 76 G Ha2 . 15541 1 499 . 2 1 76 76 GLY HA3 H 1 3.594 . . 2 . . . . 76 G Ha3 . 15541 1 500 . 2 1 76 76 GLY C C 13 174.005 . . 1 . . . . 76 G C . 15541 1 501 . 2 1 76 76 GLY CA C 13 45.760 . . 1 . . . . 76 G Ca . 15541 1 502 . 2 1 76 76 GLY N N 15 127.287 . . 1 . . . . 76 G N . 15541 1 503 . 2 1 77 77 PHE H H 1 7.685 . . 1 . . . . 77 F H . 15541 1 504 . 2 1 77 77 PHE HA H 1 4.333 . . 1 . . . . 77 F Ha . 15541 1 505 . 2 1 77 77 PHE HB2 H 1 2.620 . . 2 . . . . 77 F Hb# . 15541 1 506 . 2 1 77 77 PHE HB3 H 1 2.620 . . 2 . . . . 77 F Hb# . 15541 1 507 . 2 1 77 77 PHE CA C 13 57.814 . . 1 . . . . 77 F Ca . 15541 1 508 . 2 1 77 77 PHE CB C 13 40.151 . . 1 . . . . 77 F Cb . 15541 1 509 . 2 1 77 77 PHE N N 15 120.077 . . 1 . . . . 77 F N . 15541 1 510 . 2 1 78 78 ASP H H 1 8.452 . . 1 . . . . 78 D H . 15541 1 511 . 2 1 78 78 ASP HA H 1 4.641 . . 1 . . . . 78 D Ha . 15541 1 512 . 2 1 78 78 ASP HB2 H 1 2.643 . . 2 . . . . 78 D Hb# . 15541 1 513 . 2 1 78 78 ASP HB3 H 1 2.643 . . 2 . . . . 78 D Hb# . 15541 1 514 . 2 1 78 78 ASP C C 13 176.485 . . 1 . . . . 78 D C . 15541 1 515 . 2 1 78 78 ASP CA C 13 52.828 . . 1 . . . . 78 D Ca . 15541 1 516 . 2 1 78 78 ASP CB C 13 40.953 . . 1 . . . . 78 D Cb . 15541 1 517 . 2 1 78 78 ASP N N 15 122.842 . . 1 . . . . 78 D N . 15541 1 518 . 2 1 79 79 LEU H H 1 8.407 . . 1 . . . . 79 L H . 15541 1 519 . 2 1 79 79 LEU HA H 1 4.164 . . 1 . . . . 79 L Ha . 15541 1 520 . 2 1 79 79 LEU C C 13 177.640 . . 1 . . . . 79 L C . 15541 1 521 . 2 1 79 79 LEU CA C 13 56.109 . . 1 . . . . 79 L Ca . 15541 1 522 . 2 1 79 79 LEU CB C 13 41.060 . . 1 . . . . 79 L Cb . 15541 1 523 . 2 1 79 79 LEU N N 15 125.327 . . 1 . . . . 79 L N . 15541 1 524 . 2 1 80 80 ALA H H 1 8.226 . . 1 . . . . 80 A H . 15541 1 525 . 2 1 80 80 ALA HA H 1 4.292 . . 1 . . . . 80 A Ha . 15541 1 526 . 2 1 80 80 ALA HB1 H 1 1.432 . . 2 . . . . 80 A Hb# . 15541 1 527 . 2 1 80 80 ALA HB2 H 1 1.432 . . 2 . . . . 80 A Hb# . 15541 1 528 . 2 1 80 80 ALA HB3 H 1 1.432 . . 2 . . . . 80 A Hb# . 15541 1 529 . 2 1 80 80 ALA C C 13 178.596 . . 1 . . . . 80 A C . 15541 1 530 . 2 1 80 80 ALA CA C 13 53.391 . . 1 . . . . 80 A Ca . 15541 1 531 . 2 1 80 80 ALA CB C 13 18.936 . . 1 . . . . 80 A Cb . 15541 1 532 . 2 1 80 80 ALA N N 15 121.669 . . 1 . . . . 80 A N . 15541 1 533 . 2 1 81 81 SER H H 1 7.626 . . 1 . . . . 81 S H . 15541 1 534 . 2 1 81 81 SER HA H 1 4.393 . . 1 . . . . 81 S Ha . 15541 1 535 . 2 1 81 81 SER HB2 H 1 3.870 . . 2 . . . . 81 S Hb# . 15541 1 536 . 2 1 81 81 SER HB3 H 1 3.870 . . 2 . . . . 81 S Hb# . 15541 1 537 . 2 1 81 81 SER CA C 13 58.538 . . 1 . . . . 81 S Ca . 15541 1 538 . 2 1 81 81 SER CB C 13 63.860 . . 1 . . . . 81 S Cb . 15541 1 539 . 2 1 81 81 SER N N 15 112.937 . . 1 . . . . 81 S N . 15541 1 540 . 2 1 82 82 GLU H H 1 8.175 . . 1 . . . . 82 E H . 15541 1 541 . 2 1 82 82 GLU HA H 1 4.273 . . 1 . . . . 82 E Ha . 15541 1 542 . 2 1 82 82 GLU C C 13 179.297 . . 5 . . . . 82 E C . 15541 1 543 . 2 1 82 82 GLU CA C 13 56.867 . . 1 . . . . 82 E Ca . 15541 1 544 . 2 1 82 82 GLU CB C 13 30.031 . . 1 . . . . 82 E Cb . 15541 1 545 . 2 1 82 82 GLU N N 15 122.453 . . 1 . . . . 82 E N . 15541 1 546 . 2 1 83 83 GLN H H 1 8.225 . . 1 . . . . 83 Q H . 15541 1 547 . 2 1 83 83 GLN C C 13 177.464 . . 1 . . . . 83 Q C . 15541 1 548 . 2 1 83 83 GLN CA C 13 56.694 . . 1 . . . . 83 Q Ca . 15541 1 549 . 2 1 83 83 GLN CB C 13 31.155 . . 1 . . . . 83 Q Cb . 15541 1 550 . 2 1 83 83 GLN N N 15 119.931 . . 1 . . . . 83 Q N . 15541 1 551 . 2 1 84 84 HIS H H 1 7.854 . . 1 . . . . 84 H H . 15541 1 552 . 2 1 84 84 HIS HA H 1 4.686 . . 1 . . . . 84 H Ha . 15541 1 553 . 2 1 84 84 HIS HB2 H 1 3.063 . . 2 . . . . 84 H Hb# . 15541 1 554 . 2 1 84 84 HIS HB3 H 1 3.063 . . 2 . . . . 84 H Hb# . 15541 1 555 . 2 1 84 84 HIS C C 13 177.314 . . 1 . . . . 84 H C . 15541 1 556 . 2 1 84 84 HIS CA C 13 56.424 . . 1 . . . . 84 H Ca . 15541 1 557 . 2 1 84 84 HIS CB C 13 30.877 . . 1 . . . . 84 H Cb . 15541 1 558 . 2 1 84 84 HIS N N 15 115.956 . . 1 . . . . 84 H N . 15541 1 559 . 2 1 85 85 THR H H 1 7.572 . . 1 . . . . 85 T H . 15541 1 560 . 2 1 85 85 THR HA H 1 4.342 . . 1 . . . . 85 T Ha . 15541 1 561 . 2 1 85 85 THR HB H 1 4.132 . . 1 . . . . 85 T Hb . 15541 1 562 . 2 1 85 85 THR C C 13 174.274 . . 1 . . . . 85 T C . 15541 1 563 . 2 1 85 85 THR CA C 13 61.926 . . 1 . . . . 85 T Ca . 15541 1 564 . 2 1 85 85 THR CB C 13 70.053 . . 1 . . . . 85 T Cb . 15541 1 565 . 2 1 85 85 THR N N 15 115.529 . . 1 . . . . 85 T N . 15541 1 566 . 2 1 86 86 VAL H H 1 8.169 . . 1 . . . . 86 V H . 15541 1 567 . 2 1 86 86 VAL CA C 13 62.705 . . 1 . . . . 86 V Ca . 15541 1 568 . 2 1 86 86 VAL CB C 13 32.609 . . 1 . . . . 86 V Cb . 15541 1 569 . 2 1 86 86 VAL N N 15 122.902 . . 1 . . . . 86 V N . 15541 1 570 . 2 1 89 89 THR HA H 1 3.843 . . 1 . . . . 89 T Ha . 15541 1 571 . 2 1 89 89 THR HB H 1 4.198 . . 1 . . . . 89 T Hb . 15541 1 572 . 2 1 89 89 THR C C 13 175.827 . . 5 . . . . 89 T C . 15541 1 573 . 2 1 89 89 THR CA C 13 65.722 . . 1 . . . . 89 T Ca . 15541 1 574 . 2 1 89 89 THR CB C 13 68.944 . . 1 . . . . 89 T Cb . 15541 1 575 . 2 1 90 90 ALA H H 1 8.233 . . 1 . . . . 90 A H . 15541 1 576 . 2 1 90 90 ALA HA H 1 4.141 . . 1 . . . . 90 A Ha . 15541 1 577 . 2 1 90 90 ALA HB1 H 1 1.474 . . 2 . . . . 90 A Hb# . 15541 1 578 . 2 1 90 90 ALA HB2 H 1 1.474 . . 2 . . . . 90 A Hb# . 15541 1 579 . 2 1 90 90 ALA HB3 H 1 1.474 . . 2 . . . . 90 A Hb# . 15541 1 580 . 2 1 90 90 ALA C C 13 180.338 . . 1 . . . . 90 A C . 15541 1 581 . 2 1 90 90 ALA CA C 13 55.217 . . 1 . . . . 90 A Ca . 15541 1 582 . 2 1 90 90 ALA CB C 13 18.022 . . 1 . . . . 90 A Cb . 15541 1 583 . 2 1 90 90 ALA N N 15 124.334 . . 1 . . . . 90 A N . 15541 1 584 . 2 1 91 91 PHE H H 1 7.835 . . 1 . . . . 91 F H . 15541 1 585 . 2 1 91 91 PHE HA H 1 4.438 . . 1 . . . . 91 F Ha . 15541 1 586 . 2 1 91 91 PHE HB2 H 1 3.187 . . 2 . . . . 91 F HB2 . 15541 1 587 . 2 1 91 91 PHE HB3 H 1 2.928 . . 2 . . . . 91 F HB3 . 15541 1 588 . 2 1 91 91 PHE C C 13 177.135 . . 1 . . . . 91 F C . 15541 1 589 . 2 1 91 91 PHE CA C 13 59.695 . . 1 . . . . 91 F Ca . 15541 1 590 . 2 1 91 91 PHE CB C 13 39.149 . . 1 . . . . 91 F Cb . 15541 1 591 . 2 1 91 91 PHE N N 15 119.633 . . 1 . . . . 91 F N . 15541 1 592 . 2 1 92 92 LEU H H 1 7.872 . . 1 . . . . 92 L H . 15541 1 593 . 2 1 92 92 LEU HA H 1 3.783 . . 1 . . . . 92 L Ha . 15541 1 594 . 2 1 92 92 LEU HB2 H 1 1.777 . . 2 . . . . 92 L HB2 . 15541 1 595 . 2 1 92 92 LEU HB3 H 1 1.501 . . 2 . . . . 92 L HB3 . 15541 1 596 . 2 1 92 92 LEU C C 13 179.204 . . 1 . . . . 92 L C . 15541 1 597 . 2 1 92 92 LEU CA C 13 57.935 . . 1 . . . . 92 L Ca . 15541 1 598 . 2 1 92 92 LEU CB C 13 41.663 . . 1 . . . . 92 L Cb . 15541 1 599 . 2 1 92 92 LEU N N 15 119.610 . . 1 . . . . 92 L N . 15541 1 600 . 2 1 93 93 MET H H 1 7.944 . . 1 . . . . 93 M H . 15541 1 601 . 2 1 93 93 MET HA H 1 4.174 . . 1 . . . . 93 M Ha . 15541 1 602 . 2 1 93 93 MET HB2 H 1 2.166 . . 2 . . . . 93 M Hb# . 15541 1 603 . 2 1 93 93 MET HB3 H 1 2.166 . . 2 . . . . 93 M Hb# . 15541 1 604 . 2 1 93 93 MET C C 13 178.318 . . 1 . . . . 93 M C . 15541 1 605 . 2 1 93 93 MET CA C 13 58.333 . . 1 . . . . 93 M Ca . 15541 1 606 . 2 1 93 93 MET CB C 13 32.143 . . 1 . . . . 93 M Cb . 15541 1 607 . 2 1 93 93 MET N N 15 117.114 . . 1 . . . . 93 M N . 15541 1 608 . 2 1 94 94 GLU H H 1 7.727 . . 1 . . . . 94 E H . 15541 1 609 . 2 1 94 94 GLU HA H 1 4.059 . . 1 . . . . 94 E Ha . 15541 1 610 . 2 1 94 94 GLU HB2 H 1 2.057 . . 2 . . . . 94 E Hb# . 15541 1 611 . 2 1 94 94 GLU HB3 H 1 2.057 . . 2 . . . . 94 E Hb# . 15541 1 612 . 2 1 94 94 GLU C C 13 178.364 . . 1 . . . . 94 E C . 15541 1 613 . 2 1 94 94 GLU CB C 13 29.990 . . 1 . . . . 94 E Cb . 15541 1 614 . 2 1 94 94 GLU N N 15 121.094 . . 1 . . . . 94 E N . 15541 1 615 . 2 1 95 95 GLN H H 1 7.920 . . 1 . . . . 95 Q H . 15541 1 616 . 2 1 95 95 GLN HA H 1 3.668 . . 1 . . . . 95 Q Ha . 15541 1 617 . 2 1 95 95 GLN HB2 H 1 1.690 . . 2 . . . . 95 Q Hb# . 15541 1 618 . 2 1 95 95 GLN HB3 H 1 1.690 . . 2 . . . . 95 Q Hb# . 15541 1 619 . 2 1 95 95 GLN C C 13 178.382 . . 1 . . . . 95 Q C . 15541 1 620 . 2 1 95 95 GLN CA C 13 58.790 . . 1 . . . . 95 Q Ca . 15541 1 621 . 2 1 95 95 GLN CB C 13 28.761 . . 1 . . . . 95 Q Cb . 15541 1 622 . 2 1 95 95 GLN N N 15 116.501 . . 1 . . . . 95 Q N . 15541 1 623 . 2 1 96 96 LEU H H 1 7.645 . . 1 . . . . 96 L H . 15541 1 624 . 2 1 96 96 LEU HA H 1 4.068 . . 1 . . . . 96 L Ha . 15541 1 625 . 2 1 96 96 LEU HB2 H 1 1.749 . . 2 . . . . 96 L Hb# . 15541 1 626 . 2 1 96 96 LEU HB3 H 1 1.749 . . 2 . . . . 96 L Hb# . 15541 1 627 . 2 1 96 96 LEU C C 13 179.111 . . 1 . . . . 96 L C . 15541 1 628 . 2 1 96 96 LEU CA C 13 58.253 . . 1 . . . . 96 L Ca . 15541 1 629 . 2 1 96 96 LEU CB C 13 41.722 . . 1 . . . . 96 L Cb . 15541 1 630 . 2 1 96 96 LEU N N 15 119.545 . . 1 . . . . 96 L N . 15541 1 631 . 2 1 97 97 GLU H H 1 8.151 . . 1 . . . . 97 E H . 15541 1 632 . 2 1 97 97 GLU HA H 1 4.066 . . 1 . . . . 97 E Ha . 15541 1 633 . 2 1 97 97 GLU C C 13 180.419 . . 1 . . . . 97 E C . 15541 1 634 . 2 1 97 97 GLU CA C 13 59.713 . . 1 . . . . 97 E Ca . 15541 1 635 . 2 1 97 97 GLU CB C 13 29.727 . . 1 . . . . 97 E Cb . 15541 1 636 . 2 1 97 97 GLU N N 15 119.419 . . 1 . . . . 97 E N . 15541 1 637 . 2 1 98 98 LEU H H 1 8.397 . . 1 . . . . 98 L H . 15541 1 638 . 2 1 98 98 LEU HA H 1 4.452 . . 1 . . . . 98 L Ha . 15541 1 639 . 2 1 98 98 LEU HB2 H 1 2.111 . . 2 . . . . 98 L HB2 . 15541 1 640 . 2 1 98 98 LEU HB3 H 1 1.650 . . 2 . . . . 98 L HB3 . 15541 1 641 . 2 1 98 98 LEU C C 13 178.887 . . 1 . . . . 98 L C . 15541 1 642 . 2 1 98 98 LEU CA C 13 58.150 . . 1 . . . . 98 L Ca . 15541 1 643 . 2 1 98 98 LEU CB C 13 42.870 . . 1 . . . . 98 L Cb . 15541 1 644 . 2 1 98 98 LEU N N 15 120.235 . . 1 . . . . 98 L N . 15541 1 645 . 2 1 99 99 ARG H H 1 8.095 . . 1 . . . . 99 R H . 15541 1 646 . 2 1 99 99 ARG HA H 1 4.040 . . 1 . . . . 99 R Ha . 15541 1 647 . 2 1 99 99 ARG HB2 H 1 2.067 . . 2 . . . . 99 R Hb# . 15541 1 648 . 2 1 99 99 ARG HB3 H 1 2.067 . . 2 . . . . 99 R Hb# . 15541 1 649 . 2 1 99 99 ARG C C 13 178.799 . . 1 . . . . 99 R C . 15541 1 650 . 2 1 99 99 ARG CA C 13 59.301 . . 1 . . . . 99 R Ca . 15541 1 651 . 2 1 99 99 ARG CB C 13 30.348 . . 1 . . . . 99 R Cb . 15541 1 652 . 2 1 99 99 ARG N N 15 118.477 . . 1 . . . . 99 R N . 15541 1 653 . 2 1 100 100 GLU H H 1 8.361 . . 1 . . . . 100 E H . 15541 1 654 . 2 1 100 100 GLU HA H 1 4.089 . . 1 . . . . 100 E Ha . 15541 1 655 . 2 1 100 100 GLU HB2 H 1 2.123 . . 2 . . . . 100 E Hb# . 15541 1 656 . 2 1 100 100 GLU HB3 H 1 2.123 . . 2 . . . . 100 E Hb# . 15541 1 657 . 2 1 100 100 GLU C C 13 179.101 . . 1 . . . . 100 E C . 15541 1 658 . 2 1 100 100 GLU CA C 13 59.582 . . 1 . . . . 100 E Ca . 15541 1 659 . 2 1 100 100 GLU CB C 13 29.319 . . 1 . . . . 100 E Cb . 15541 1 660 . 2 1 100 100 GLU N N 15 119.632 . . 1 . . . . 100 E N . 15541 1 661 . 2 1 101 101 GLU H H 1 7.985 . . 1 . . . . 101 E H . 15541 1 662 . 2 1 101 101 GLU HA H 1 4.021 . . 1 . . . . 101 E Ha . 15541 1 663 . 2 1 101 101 GLU HB2 H 1 2.220 . . 2 . . . . 101 E Hb# . 15541 1 664 . 2 1 101 101 GLU HB3 H 1 2.220 . . 2 . . . . 101 E Hb# . 15541 1 665 . 2 1 101 101 GLU C C 13 178.058 . . 1 . . . . 101 E C . 15541 1 666 . 2 1 101 101 GLU CA C 13 59.535 . . 1 . . . . 101 E Ca . 15541 1 667 . 2 1 101 101 GLU CB C 13 29.124 . . 1 . . . . 101 E Cb . 15541 1 668 . 2 1 101 101 GLU N N 15 121.488 . . 1 . . . . 101 E N . 15541 1 669 . 2 1 102 102 LEU H H 1 7.884 . . 1 . . . . 102 L H . 15541 1 670 . 2 1 102 102 LEU HA H 1 3.472 . . 1 . . . . 102 L Ha . 15541 1 671 . 2 1 102 102 LEU HB2 H 1 1.460 . . 2 . . . . 102 L HB2 . 15541 1 672 . 2 1 102 102 LEU HB3 H 1 1.475 . . 2 . . . . 102 L HB3 . 15541 1 673 . 2 1 102 102 LEU C C 13 178.139 . . 1 . . . . 102 L C . 15541 1 674 . 2 1 102 102 LEU CA C 13 57.745 . . 1 . . . . 102 L Ca . 15541 1 675 . 2 1 102 102 LEU CB C 13 40.207 . . 1 . . . . 102 L Cb . 15541 1 676 . 2 1 102 102 LEU N N 15 119.964 . . 1 . . . . 102 L N . 15541 1 677 . 2 1 103 103 ASP H H 1 7.959 . . 1 . . . . 103 D H . 15541 1 678 . 2 1 103 103 ASP HA H 1 4.366 . . 1 . . . . 103 D Ha . 15541 1 679 . 2 1 103 103 ASP HB2 H 1 2.853 . . 2 . . . . 103 D HB2 . 15541 1 680 . 2 1 103 103 ASP HB3 H 1 2.652 . . 2 . . . . 103 D HB3 . 15541 1 681 . 2 1 103 103 ASP C C 13 179.015 . . 1 . . . . 103 D C . 15541 1 682 . 2 1 103 103 ASP CA C 13 57.572 . . 1 . . . . 103 D Ca . 15541 1 683 . 2 1 103 103 ASP CB C 13 40.352 . . 1 . . . . 103 D Cb . 15541 1 684 . 2 1 103 103 ASP N N 15 118.594 . . 1 . . . . 103 D N . 15541 1 685 . 2 1 104 104 GLU H H 1 7.895 . . 1 . . . . 104 E H . 15541 1 686 . 2 1 104 104 GLU HA H 1 3.974 . . 1 . . . . 104 E Ha . 15541 1 687 . 2 1 104 104 GLU HB2 H 1 2.199 . . 2 . . . . 104 E Hb# . 15541 1 688 . 2 1 104 104 GLU HB3 H 1 2.199 . . 2 . . . . 104 E Hb# . 15541 1 689 . 2 1 104 104 GLU C C 13 179.713 . . 1 . . . . 104 E C . 15541 1 690 . 2 1 104 104 GLU CA C 13 59.838 . . 1 . . . . 104 E Ca . 15541 1 691 . 2 1 104 104 GLU CB C 13 29.630 . . 1 . . . . 104 E Cb . 15541 1 692 . 2 1 104 104 GLU N N 15 120.951 . . 1 . . . . 104 E N . 15541 1 693 . 2 1 105 105 ILE H H 1 8.371 . . 1 . . . . 105 I H . 15541 1 694 . 2 1 105 105 ILE HA H 1 3.382 . . 1 . . . . 105 I Ha . 15541 1 695 . 2 1 105 105 ILE HB H 1 1.954 . . 1 . . . . 105 I Hb . 15541 1 696 . 2 1 105 105 ILE C C 13 178.013 . . 1 . . . . 105 I C . 15541 1 697 . 2 1 105 105 ILE CA C 13 66.469 . . 1 . . . . 105 I Ca . 15541 1 698 . 2 1 105 105 ILE CB C 13 37.807 . . 1 . . . . 105 I Cb . 15541 1 699 . 2 1 105 105 ILE N N 15 122.104 . . 1 . . . . 105 I N . 15541 1 700 . 2 1 106 106 GLU H H 1 8.498 . . 1 . . . . 106 E H . 15541 1 701 . 2 1 106 106 GLU HA H 1 3.738 . . 1 . . . . 106 E Ha . 15541 1 702 . 2 1 106 106 GLU HB2 H 1 2.154 . . 2 . . . . 106 E Hb# . 15541 1 703 . 2 1 106 106 GLU HB3 H 1 2.154 . . 2 . . . . 106 E Hb# . 15541 1 704 . 2 1 106 106 GLU C C 13 179.360 . . 1 . . . . 106 E C . 15541 1 705 . 2 1 106 106 GLU CA C 13 60.173 . . 1 . . . . 106 E Ca . 15541 1 706 . 2 1 106 106 GLU N N 15 120.048 . . 1 . . . . 106 E N . 15541 1 707 . 2 1 107 107 GLN H H 1 7.973 . . 1 . . . . 107 Q H . 15541 1 708 . 2 1 107 107 GLN HA H 1 3.987 . . 1 . . . . 107 Q Ha . 15541 1 709 . 2 1 107 107 GLN HB2 H 1 2.136 . . 2 . . . . 107 Q Hb# . 15541 1 710 . 2 1 107 107 GLN HB3 H 1 2.136 . . 2 . . . . 107 Q Hb# . 15541 1 711 . 2 1 107 107 GLN C C 13 177.621 . . 1 . . . . 107 Q C . 15541 1 712 . 2 1 107 107 GLN CA C 13 58.477 . . 1 . . . . 107 Q Ca . 15541 1 713 . 2 1 107 107 GLN CB C 13 28.537 . . 1 . . . . 107 Q Cb . 15541 1 714 . 2 1 107 107 GLN N N 15 117.901 . . 1 . . . . 107 Q N . 15541 1 715 . 2 1 108 108 ALA H H 1 7.879 . . 1 . . . . 108 A H . 15541 1 716 . 2 1 108 108 ALA HA H 1 4.245 . . 1 . . . . 108 A Ha . 15541 1 717 . 2 1 108 108 ALA HB1 H 1 1.492 . . 2 . . . . 108 A Hb# . 15541 1 718 . 2 1 108 108 ALA HB2 H 1 1.492 . . 2 . . . . 108 A Hb# . 15541 1 719 . 2 1 108 108 ALA HB3 H 1 1.492 . . 2 . . . . 108 A Hb# . 15541 1 720 . 2 1 108 108 ALA C C 13 176.851 . . 1 . . . . 108 A C . 15541 1 721 . 2 1 108 108 ALA CA C 13 52.596 . . 1 . . . . 108 A Ca . 15541 1 722 . 2 1 108 108 ALA CB C 13 19.615 . . 1 . . . . 108 A Cb . 15541 1 723 . 2 1 108 108 ALA N N 15 119.111 . . 1 . . . . 108 A N . 15541 1 724 . 2 1 109 109 LYS H H 1 8.084 . . 1 . . . . 109 K H . 15541 1 725 . 2 1 109 109 LYS HA H 1 3.535 . . 1 . . . . 109 K Ha . 15541 1 726 . 2 1 109 109 LYS HB2 H 1 2.063 . . 2 . . . . 109 K HB2 . 15541 1 727 . 2 1 109 109 LYS HB3 H 1 1.884 . . 2 . . . . 109 K HB3 . 15541 1 728 . 2 1 109 109 LYS C C 13 174.923 . . 1 . . . . 109 K C . 15541 1 729 . 2 1 109 109 LYS CA C 13 57.107 . . 1 . . . . 109 K Ca . 15541 1 730 . 2 1 109 109 LYS CB C 13 29.599 . . 1 . . . . 109 K Cb . 15541 1 731 . 2 1 109 109 LYS N N 15 116.681 . . 1 . . . . 109 K N . 15541 1 732 . 2 1 110 110 ASP H H 1 6.896 . . 1 . . . . 110 D H . 15541 1 733 . 2 1 110 110 ASP HA H 1 4.697 . . 1 . . . . 110 D Ha . 15541 1 734 . 2 1 110 110 ASP HB2 H 1 2.846 . . 2 . . . . 110 D HB2 . 15541 1 735 . 2 1 110 110 ASP HB3 H 1 2.337 . . 2 . . . . 110 D HB3 . 15541 1 736 . 2 1 110 110 ASP C C 13 175.275 . . 1 . . . . 110 D C . 15541 1 737 . 2 1 110 110 ASP CA C 13 53.072 . . 1 . . . . 110 D Ca . 15541 1 738 . 2 1 110 110 ASP CB C 13 42.116 . . 1 . . . . 110 D Cb . 15541 1 739 . 2 1 110 110 ASP N N 15 116.153 . . 1 . . . . 110 D N . 15541 1 740 . 2 1 111 111 GLU H H 1 8.704 . . 1 . . . . 111 E H . 15541 1 741 . 2 1 111 111 GLU HA H 1 3.873 . . 1 . . . . 111 E Ha . 15541 1 742 . 2 1 111 111 GLU HB2 H 1 2.096 . . 2 . . . . 111 E Hb# . 15541 1 743 . 2 1 111 111 GLU HB3 H 1 2.096 . . 2 . . . . 111 E Hb# . 15541 1 744 . 2 1 111 111 GLU C C 13 177.951 . . 1 . . . . 111 E C . 15541 1 745 . 2 1 111 111 GLU CA C 13 59.502 . . 1 . . . . 111 E Ca . 15541 1 746 . 2 1 111 111 GLU CB C 13 29.342 . . 1 . . . . 111 E Cb . 15541 1 747 . 2 1 111 111 GLU N N 15 126.123 . . 1 . . . . 111 E N . 15541 1 748 . 2 1 112 112 ALA H H 1 8.218 . . 1 . . . . 112 A H . 15541 1 749 . 2 1 112 112 ALA HA H 1 4.324 . . 1 . . . . 112 A Ha . 15541 1 750 . 2 1 112 112 ALA HB1 H 1 1.524 . . 2 . . . . 112 A Hb# . 15541 1 751 . 2 1 112 112 ALA HB2 H 1 1.524 . . 2 . . . . 112 A Hb# . 15541 1 752 . 2 1 112 112 ALA HB3 H 1 1.524 . . 2 . . . . 112 A Hb# . 15541 1 753 . 2 1 112 112 ALA C C 13 181.395 . . 1 . . . . 112 A C . 15541 1 754 . 2 1 112 112 ALA CA C 13 55.056 . . 1 . . . . 112 A Ca . 15541 1 755 . 2 1 112 112 ALA CB C 13 18.121 . . 1 . . . . 112 A Cb . 15541 1 756 . 2 1 112 112 ALA N N 15 123.769 . . 1 . . . . 112 A N . 15541 1 757 . 2 1 113 113 ARG H H 1 8.020 . . 1 . . . . 113 R H . 15541 1 758 . 2 1 113 113 ARG C C 13 179.642 . . 1 . . . . 113 R C . 15541 1 759 . 2 1 113 113 ARG CA C 13 59.056 . . 1 . . . . 113 R Ca . 15541 1 760 . 2 1 113 113 ARG CB C 13 31.378 . . 1 . . . . 113 R Cb . 15541 1 761 . 2 1 113 113 ARG N N 15 119.871 . . 1 . . . . 113 R N . 15541 1 762 . 2 1 114 114 LEU H H 1 8.235 . . 1 . . . . 114 L H . 15541 1 763 . 2 1 114 114 LEU C C 13 179.858 . . 1 . . . . 114 L C . 15541 1 764 . 2 1 114 114 LEU CA C 13 58.152 . . 1 . . . . 114 L Ca . 15541 1 765 . 2 1 114 114 LEU CB C 13 41.046 . . 5 . . . . 114 L Cb . 15541 1 766 . 2 1 114 114 LEU N N 15 121.712 . . 1 . . . . 114 L N . 15541 1 767 . 2 1 115 115 GLU H H 1 8.160 . . 1 . . . . 115 E H . 15541 1 768 . 2 1 115 115 GLU HA H 1 4.035 . . 1 . . . . 115 E Ha . 15541 1 769 . 2 1 115 115 GLU HB2 H 1 2.217 . . 2 . . . . 115 E Hb# . 15541 1 770 . 2 1 115 115 GLU HB3 H 1 2.217 . . 2 . . . . 115 E Hb# . 15541 1 771 . 2 1 115 115 GLU C C 13 179.460 . . 1 . . . . 115 E C . 15541 1 772 . 2 1 115 115 GLU CA C 13 60.017 . . 1 . . . . 115 E Ca . 15541 1 773 . 2 1 115 115 GLU CB C 13 29.265 . . 1 . . . . 115 E Cb . 15541 1 774 . 2 1 115 115 GLU N N 15 119.642 . . 1 . . . . 115 E N . 15541 1 775 . 2 1 116 116 SER H H 1 7.604 . . 1 . . . . 116 S H . 15541 1 776 . 2 1 116 116 SER HA H 1 4.210 . . 1 . . . . 116 S Ha . 15541 1 777 . 2 1 116 116 SER HB2 H 1 4.047 . . 2 . . . . 116 S Hb# . 15541 1 778 . 2 1 116 116 SER HB3 H 1 4.047 . . 2 . . . . 116 S Hb# . 15541 1 779 . 2 1 116 116 SER C C 13 176.492 . . 1 . . . . 116 S C . 15541 1 780 . 2 1 116 116 SER CA C 13 61.404 . . 1 . . . . 116 S Ca . 15541 1 781 . 2 1 116 116 SER CB C 13 63.026 . . 1 . . . . 116 S Cb . 15541 1 782 . 2 1 116 116 SER N N 15 113.132 . . 1 . . . . 116 S N . 15541 1 783 . 2 1 117 117 PHE H H 1 8.566 . . 1 . . . . 117 F H . 15541 1 784 . 2 1 117 117 PHE HA H 1 4.056 . . 1 . . . . 117 F Ha . 15541 1 785 . 2 1 117 117 PHE HB2 H 1 3.157 . . . . . . . 117 F Hb2 . 15541 1 786 . 2 1 117 117 PHE HB3 H 1 3.450 . . 2 . . . . 117 F Hb3 . 15541 1 787 . 2 1 117 117 PHE C C 13 176.799 . . 1 . . . . 117 F C . 15541 1 788 . 2 1 117 117 PHE CA C 13 62.257 . . 1 . . . . 117 F Ca . 15541 1 789 . 2 1 117 117 PHE CB C 13 40.173 . . 1 . . . . 117 F Cb . 15541 1 790 . 2 1 117 117 PHE N N 15 125.092 . . 1 . . . . 117 F N . 15541 1 791 . 2 1 118 118 ILE H H 1 8.812 . . 1 . . . . 118 I H . 15541 1 792 . 2 1 118 118 ILE HA H 1 3.371 . . 1 . . . . 118 I Ha . 15541 1 793 . 2 1 118 118 ILE HB H 1 2.034 . . 1 . . . . 118 I Hb . 15541 1 794 . 2 1 118 118 ILE C C 13 177.887 . . 1 . . . . 118 I C . 15541 1 795 . 2 1 118 118 ILE CA C 13 66.757 . . 1 . . . . 118 I Ca . 15541 1 796 . 2 1 118 118 ILE CB C 13 38.085 . . 1 . . . . 118 I Cb . 15541 1 797 . 2 1 118 118 ILE N N 15 119.635 . . 1 . . . . 118 I N . 15541 1 798 . 2 1 119 119 LYS H H 1 7.690 . . 1 . . . . 119 K H . 15541 1 799 . 2 1 119 119 LYS HA H 1 3.901 . . 1 . . . . 119 K Ha . 15541 1 800 . 2 1 119 119 LYS HB2 H 1 1.921 . . 2 . . . . 119 K Hb# . 15541 1 801 . 2 1 119 119 LYS HB3 H 1 1.921 . . 2 . . . . 119 K Hb# . 15541 1 802 . 2 1 119 119 LYS C C 13 179.501 . . 1 . . . . 119 K C . 15541 1 803 . 2 1 119 119 LYS CA C 13 60.404 . . 1 . . . . 119 K Ca . 15541 1 804 . 2 1 119 119 LYS CB C 13 32.517 . . 1 . . . . 119 K Cb . 15541 1 805 . 2 1 119 119 LYS N N 15 118.134 . . 1 . . . . 119 K N . 15541 1 806 . 2 1 120 120 ARG H H 1 8.022 . . 1 . . . . 120 R H . 15541 1 807 . 2 1 120 120 ARG HA H 1 4.001 . . 1 . . . . 120 R Ha . 15541 1 808 . 2 1 120 120 ARG C C 13 179.164 . . 1 . . . . 120 R C . 15541 1 809 . 2 1 120 120 ARG CA C 13 59.718 . . 1 . . . . 120 R Ca . 15541 1 810 . 2 1 120 120 ARG CB C 13 30.393 . . 1 . . . . 120 R Cb . 15541 1 811 . 2 1 120 120 ARG N N 15 120.958 . . 1 . . . . 120 R N . 15541 1 812 . 2 1 121 121 VAL H H 1 8.493 . . 1 . . . . 121 V H . 15541 1 813 . 2 1 121 121 VAL HA H 1 3.671 . . 1 . . . . 121 V Ha . 15541 1 814 . 2 1 121 121 VAL HB H 1 1.870 . . 1 . . . . 121 V Hb . 15541 1 815 . 2 1 121 121 VAL C C 13 178.351 . . 1 . . . . 121 V C . 15541 1 816 . 2 1 121 121 VAL CA C 13 66.573 . . 1 . . . . 121 V Ca . 15541 1 817 . 2 1 121 121 VAL CB C 13 31.637 . . 1 . . . . 121 V Cb . 15541 1 818 . 2 1 121 121 VAL N N 15 120.133 . . 1 . . . . 121 V N . 15541 1 819 . 2 1 122 122 LYS H H 1 8.543 . . 1 . . . . 122 K H . 15541 1 820 . 2 1 122 122 LYS HA H 1 3.940 . . 1 . . . . 122 K Ha . 15541 1 821 . 2 1 122 122 LYS HB2 H 1 1.909 . . 2 . . . . 122 K Hb2 . 15541 1 822 . 2 1 122 122 LYS C C 13 178.433 . . 1 . . . . 122 K C . 15541 1 823 . 2 1 122 122 LYS CA C 13 60.586 . . 1 . . . . 122 K Ca . 15541 1 824 . 2 1 122 122 LYS CB C 13 32.256 . . 1 . . . . 122 K Cb . 15541 1 825 . 2 1 122 122 LYS N N 15 120.972 . . 1 . . . . 122 K N . 15541 1 826 . 2 1 123 123 LYS H H 1 7.753 . . 1 . . . . 123 K H . 15541 1 827 . 2 1 123 123 LYS HA H 1 4.285 . . 1 . . . . 123 K Ha . 15541 1 828 . 2 1 123 123 LYS HB3 H 1 2.044 . . 2 . . . . 123 K Hb3 . 15541 1 829 . 2 1 123 123 LYS C C 13 179.811 . . 1 . . . . 123 K C . 15541 1 830 . 2 1 123 123 LYS CA C 13 59.363 . . 1 . . . . 123 K Ca . 15541 1 831 . 2 1 123 123 LYS CB C 13 31.811 . . 1 . . . . 123 K Cb . 15541 1 832 . 2 1 123 123 LYS N N 15 119.802 . . 1 . . . . 123 K N . 15541 1 833 . 2 1 124 124 MET H H 1 8.230 . . 1 . . . . 124 M H . 15541 1 834 . 2 1 124 124 MET HA H 1 4.059 . . 1 . . . . 124 M Ha . 15541 1 835 . 2 1 124 124 MET HB2 H 1 2.234 . . 2 . . . . 124 M Hb# . 15541 1 836 . 2 1 124 124 MET HB3 H 1 2.234 . . 2 . . . . 124 M Hb# . 15541 1 837 . 2 1 124 124 MET C C 13 178.564 . . 1 . . . . 124 M C . 15541 1 838 . 2 1 124 124 MET CA C 13 59.680 . . 1 . . . . 124 M Ca . 15541 1 839 . 2 1 124 124 MET CB C 13 34.187 . . 1 . . . . 124 M Cb . 15541 1 840 . 2 1 124 124 MET N N 15 120.082 . . 1 . . . . 124 M N . 15541 1 841 . 2 1 125 125 PHE H H 1 8.759 . . 1 . . . . 125 F H . 15541 1 842 . 2 1 125 125 PHE HA H 1 3.822 . . 1 . . . . 125 F Ha . 15541 1 843 . 2 1 125 125 PHE HB2 H 1 3.261 . . 2 . . . . 125 F Hb# . 15541 1 844 . 2 1 125 125 PHE HB3 H 1 3.261 . . 2 . . . . 125 F Hb# . 15541 1 845 . 2 1 125 125 PHE C C 13 176.446 . . 1 . . . . 125 F C . 15541 1 846 . 2 1 125 125 PHE CA C 13 61.796 . . 1 . . . . 125 F Ca . 15541 1 847 . 2 1 125 125 PHE CB C 13 39.336 . . 1 . . . . 125 F Cb . 15541 1 848 . 2 1 125 125 PHE N N 15 121.009 . . 1 . . . . 125 F N . 15541 1 849 . 2 1 126 126 ASP H H 1 8.944 . . 1 . . . . 126 D H . 15541 1 850 . 2 1 126 126 ASP HA H 1 4.505 . . 1 . . . . 126 D Ha . 15541 1 851 . 2 1 126 126 ASP HB2 H 1 2.810 . . 2 . . . . 126 D Hb# . 15541 1 852 . 2 1 126 126 ASP HB3 H 1 2.810 . . 2 . . . . 126 D Hb# . 15541 1 853 . 2 1 126 126 ASP C C 13 179.729 . . 1 . . . . 126 D C . 15541 1 854 . 2 1 126 126 ASP CA C 13 58.168 . . 1 . . . . 126 D Ca . 15541 1 855 . 2 1 126 126 ASP CB C 13 40.410 . . 1 . . . . 126 D Cb . 15541 1 856 . 2 1 126 126 ASP N N 15 120.707 . . 1 . . . . 126 D N . 15541 1 857 . 2 1 127 127 THR H H 1 8.357 . . 1 . . . . 127 T H . 15541 1 858 . 2 1 127 127 THR HA H 1 4.035 . . 1 . . . . 127 T Ha . 15541 1 859 . 2 1 127 127 THR HB H 1 4.247 . . 1 . . . . 127 T Hb . 15541 1 860 . 2 1 127 127 THR C C 13 177.202 . . 1 . . . . 127 T C . 15541 1 861 . 2 1 127 127 THR CA C 13 66.644 . . 1 . . . . 127 T Ca . 15541 1 862 . 2 1 127 127 THR CB C 13 69.205 . . 1 . . . . 127 T Cb . 15541 1 863 . 2 1 127 127 THR N N 15 115.596 . . 1 . . . . 127 T N . 15541 1 864 . 2 1 128 128 ARG H H 1 7.781 . . 1 . . . . 128 R H . 15541 1 865 . 2 1 128 128 ARG HA H 1 4.029 . . 1 . . . . 128 R Ha . 15541 1 866 . 2 1 128 128 ARG HB2 H 1 1.510 . . 2 . . . . 128 R Hb# . 15541 1 867 . 2 1 128 128 ARG HB3 H 1 1.510 . . 2 . . . . 128 R Hb# . 15541 1 868 . 2 1 128 128 ARG C C 13 176.813 . . 1 . . . . 128 R C . 15541 1 869 . 2 1 128 128 ARG CA C 13 58.979 . . 1 . . . . 128 R Ca . 15541 1 870 . 2 1 128 128 ARG CB C 13 29.602 . . 1 . . . . 128 R Cb . 15541 1 871 . 2 1 128 128 ARG N N 15 121.811 . . 1 . . . . 128 R N . 15541 1 872 . 2 1 129 129 HIS H H 1 9.251 . . 1 . . . . 129 H H . 15541 1 873 . 2 1 129 129 HIS HA H 1 3.801 . . 1 . . . . 129 H Ha . 15541 1 874 . 2 1 129 129 HIS HB2 H 1 3.227 . . 2 . . . . 129 H Hb# . 15541 1 875 . 2 1 129 129 HIS HB3 H 1 3.227 . . 2 . . . . 129 H Hb# . 15541 1 876 . 2 1 129 129 HIS C C 13 176.493 . . 1 . . . . 129 H C . 15541 1 877 . 2 1 129 129 HIS CA C 13 61.036 . . 1 . . . . 129 H Ca . 15541 1 878 . 2 1 129 129 HIS CB C 13 30.088 . . 1 . . . . 129 H Cb . 15541 1 879 . 2 1 129 129 HIS N N 15 122.829 . . 1 . . . . 129 H N . 15541 1 880 . 2 1 130 130 GLN H H 1 7.607 . . 1 . . . . 130 Q H . 15541 1 881 . 2 1 130 130 GLN HA H 1 3.907 . . 1 . . . . 130 Q Ha . 15541 1 882 . 2 1 130 130 GLN HB2 H 1 2.141 . . 2 . . . . 130 Q Hb# . 15541 1 883 . 2 1 130 130 GLN HB3 H 1 2.141 . . 2 . . . . 130 Q Hb# . 15541 1 884 . 2 1 130 130 GLN C C 13 178.488 . . 1 . . . . 130 Q C . 15541 1 885 . 2 1 130 130 GLN CA C 13 59.003 . . 1 . . . . 130 Q Ca . 15541 1 886 . 2 1 130 130 GLN CB C 13 28.077 . . 1 . . . . 130 Q Cb . 15541 1 887 . 2 1 130 130 GLN N N 15 117.093 . . 1 . . . . 130 Q N . 15541 1 888 . 2 1 131 131 LEU H H 1 7.021 . . 1 . . . . 131 L H . 15541 1 889 . 2 1 131 131 LEU HB2 H 1 1.540 . . 2 . . . . 131 L Hb# . 15541 1 890 . 2 1 131 131 LEU HB3 H 1 1.540 . . 2 . . . . 131 L Hb# . 15541 1 891 . 2 1 131 131 LEU C C 13 177.425 . . 1 . . . . 131 L C . 15541 1 892 . 2 1 131 131 LEU CA C 13 57.666 . . 1 . . . . 131 L Ca . 15541 1 893 . 2 1 131 131 LEU CB C 13 41.447 . . 1 . . . . 131 L Cb . 15541 1 894 . 2 1 131 131 LEU N N 15 119.859 . . 1 . . . . 131 L N . 15541 1 895 . 2 1 132 132 MET H H 1 8.070 . . 1 . . . . 132 M H . 15541 1 896 . 2 1 132 132 MET HA H 1 3.812 . . 1 . . . . 132 M Ha . 15541 1 897 . 2 1 132 132 MET HB2 H 1 1.786 . . 2 . . . . 132 M HB2 . 15541 1 898 . 2 1 132 132 MET HB3 H 1 2.213 . . 2 . . . . 132 M HB3 . 15541 1 899 . 2 1 132 132 MET C C 13 177.737 . . 1 . . . . 132 M C . 15541 1 900 . 2 1 132 132 MET CA C 13 59.012 . . 1 . . . . 132 M Ca . 15541 1 901 . 2 1 132 132 MET CB C 13 31.861 . . 1 . . . . 132 M Cb . 15541 1 902 . 2 1 132 132 MET N N 15 119.048 . . 1 . . . . 132 M N . 15541 1 903 . 2 1 133 133 VAL H H 1 7.768 . . 1 . . . . 133 V H . 15541 1 904 . 2 1 133 133 VAL HA H 1 2.960 . . 1 . . . . 133 V Ha . 15541 1 905 . 2 1 133 133 VAL HB H 1 2.012 . . 1 . . . . 133 V Hb . 15541 1 906 . 2 1 133 133 VAL C C 13 177.413 . . 1 . . . . 133 V C . 15541 1 907 . 2 1 133 133 VAL CA C 13 67.686 . . 1 . . . . 133 V Ca . 15541 1 908 . 2 1 133 133 VAL CB C 13 31.543 . . 1 . . . . 133 V Cb . 15541 1 909 . 2 1 133 133 VAL N N 15 117.755 . . 1 . . . . 133 V N . 15541 1 910 . 2 1 134 134 GLU H H 1 7.303 . . 1 . . . . 134 E H . 15541 1 911 . 2 1 134 134 GLU HA H 1 3.948 . . 1 . . . . 134 E Ha . 15541 1 912 . 2 1 134 134 GLU HB2 H 1 2.106 . . 2 . . . . 134 E Hb# . 15541 1 913 . 2 1 134 134 GLU HB3 H 1 2.106 . . 2 . . . . 134 E Hb# . 15541 1 914 . 2 1 134 134 GLU C C 13 179.200 . . 1 . . . . 134 E C . 15541 1 915 . 2 1 134 134 GLU CA C 13 59.520 . . 1 . . . . 134 E Ca . 15541 1 916 . 2 1 134 134 GLU CB C 13 29.598 . . 1 . . . . 134 E Cb . 15541 1 917 . 2 1 134 134 GLU N N 15 118.695 . . 1 . . . . 134 E N . 15541 1 918 . 2 1 135 135 GLN H H 1 8.301 . . 1 . . . . 135 Q H . 15541 1 919 . 2 1 135 135 GLN HA H 1 3.819 . . 1 . . . . 135 Q Ha . 15541 1 920 . 2 1 135 135 GLN HB2 H 1 1.445 . . 2 . . . . 135 Q Hb# . 15541 1 921 . 2 1 135 135 GLN HB3 H 1 1.445 . . 2 . . . . 135 Q Hb# . 15541 1 922 . 2 1 135 135 GLN C C 13 178.386 . . 1 . . . . 135 Q C . 15541 1 923 . 2 1 135 135 GLN CA C 13 58.648 . . 1 . . . . 135 Q Ca . 15541 1 924 . 2 1 135 135 GLN CB C 13 28.037 . . 1 . . . . 135 Q Cb . 15541 1 925 . 2 1 135 135 GLN N N 15 118.449 . . 1 . . . . 135 Q N . 15541 1 926 . 2 1 136 136 LEU H H 1 8.537 . . 1 . . . . 136 L H . 15541 1 927 . 2 1 136 136 LEU HA H 1 3.790 . . 1 . . . . 136 L Ha . 15541 1 928 . 2 1 136 136 LEU HB2 H 1 1.503 . . 2 . . . . 136 L Hb# . 15541 1 929 . 2 1 136 136 LEU HB3 H 1 1.503 . . 2 . . . . 136 L Hb# . 15541 1 930 . 2 1 136 136 LEU C C 13 181.100 . . 1 . . . . 136 L C . 15541 1 931 . 2 1 136 136 LEU CA C 13 57.486 . . 1 . . . . 136 L Ca . 15541 1 932 . 2 1 136 136 LEU CB C 13 41.407 . . 1 . . . . 136 L Cb . 15541 1 933 . 2 1 136 136 LEU N N 15 118.803 . . 1 . . . . 136 L N . 15541 1 934 . 2 1 137 137 ASP H H 1 8.704 . . 1 . . . . 137 D H . 15541 1 935 . 2 1 137 137 ASP HA H 1 4.378 . . 1 . . . . 137 D Ha . 15541 1 936 . 2 1 137 137 ASP HB2 H 1 2.673 . . 2 . . . . 137 D Hb# . 15541 1 937 . 2 1 137 137 ASP HB3 H 1 2.673 . . 2 . . . . 137 D Hb# . 15541 1 938 . 2 1 137 137 ASP C C 13 178.090 . . 1 . . . . 137 D C . 15541 1 939 . 2 1 137 137 ASP CA C 13 57.346 . . 1 . . . . 137 D Ca . 15541 1 940 . 2 1 137 137 ASP CB C 13 40.154 . . 1 . . . . 137 D Cb . 15541 1 941 . 2 1 137 137 ASP N N 15 122.675 . . 1 . . . . 137 D N . 15541 1 942 . 2 1 138 138 ASN H H 1 7.602 . . 1 . . . . 138 N H . 15541 1 943 . 2 1 138 138 ASN HA H 1 4.538 . . 1 . . . . 138 N Ha . 15541 1 944 . 2 1 138 138 ASN HB2 H 1 2.710 . . 2 . . . . 138 N HB2 . 15541 1 945 . 2 1 138 138 ASN HB3 H 1 2.662 . . 2 . . . . 138 N HB3 . 15541 1 946 . 2 1 138 138 ASN C C 13 173.680 . . 1 . . . . 138 N C . 15541 1 947 . 2 1 138 138 ASN CA C 13 52.994 . . 1 . . . . 138 N Ca . 15541 1 948 . 2 1 138 138 ASN CB C 13 38.906 . . 1 . . . . 138 N Cb . 15541 1 949 . 2 1 138 138 ASN N N 15 115.410 . . 1 . . . . 138 N N . 15541 1 950 . 2 1 139 139 GLU H H 1 7.368 . . 1 . . . . 139 E H . 15541 1 951 . 2 1 139 139 GLU C C 13 174.563 . . 1 . . . . 139 E C . 15541 1 952 . 2 1 139 139 GLU CA C 13 56.095 . . 1 . . . . 139 E Ca . 15541 1 953 . 2 1 139 139 GLU CB C 13 25.505 . . 1 . . . . 139 E Cb . 15541 1 954 . 2 1 139 139 GLU N N 15 114.454 . . 1 . . . . 139 E N . 15541 1 955 . 2 1 140 140 THR H H 1 7.898 . . 1 . . . . 140 T H . 15541 1 956 . 2 1 140 140 THR HA H 1 4.198 . . 4 . . . . 140 T Ha . 15541 1 957 . 2 1 140 140 THR HB H 1 4.198 . . 4 . . . . 140 T Hb . 15541 1 958 . 2 1 140 140 THR C C 13 177.228 . . 1 . . . . 140 T C . 15541 1 959 . 2 1 140 140 THR CA C 13 57.443 . . 1 . . . . 140 T Ca . 15541 1 960 . 2 1 140 140 THR CB C 13 67.596 . . 1 . . . . 140 T Cb . 15541 1 961 . 2 1 140 140 THR N N 15 112.482 . . 1 . . . . 140 T N . 15541 1 962 . 2 1 141 141 TRP H H 1 6.778 . . 1 . . . . 141 W H . 15541 1 963 . 2 1 141 141 TRP HA H 1 3.976 . . 1 . . . . 141 W Ha . 15541 1 964 . 2 1 141 141 TRP HB2 H 1 2.887 . . 2 . . . . 141 W Hb# . 15541 1 965 . 2 1 141 141 TRP HB3 H 1 2.887 . . 2 . . . . 141 W Hb# . 15541 1 966 . 2 1 141 141 TRP C C 13 176.531 . . 1 . . . . 141 W C . 15541 1 967 . 2 1 141 141 TRP CA C 13 58.854 . . 1 . . . . 141 W Ca . 15541 1 968 . 2 1 141 141 TRP CB C 13 31.389 . . 1 . . . . 141 W Cb . 15541 1 969 . 2 1 141 141 TRP N N 15 121.861 . . 1 . . . . 141 W N . 15541 1 970 . 2 1 142 142 ASP H H 1 8.470 . . 1 . . . . 142 D H . 15541 1 971 . 2 1 142 142 ASP HA H 1 3.896 . . 1 . . . . 142 D Ha . 15541 1 972 . 2 1 142 142 ASP HB2 H 1 2.737 . . 2 . . . . 142 D Hb# . 15541 1 973 . 2 1 142 142 ASP HB3 H 1 2.737 . . 2 . . . . 142 D Hb# . 15541 1 974 . 2 1 142 142 ASP C C 13 178.644 . . 1 . . . . 142 D C . 15541 1 975 . 2 1 142 142 ASP CA C 13 56.721 . . 1 . . . . 142 D Ca . 15541 1 976 . 2 1 142 142 ASP CB C 13 39.628 . . 1 . . . . 142 D Cb . 15541 1 977 . 2 1 142 142 ASP N N 15 114.873 . . 1 . . . . 142 D N . 15541 1 978 . 2 1 143 143 ALA H H 1 7.460 . . 1 . . . . 143 A H . 15541 1 979 . 2 1 143 143 ALA HA H 1 4.091 . . 1 . . . . 143 A Ha . 15541 1 980 . 2 1 143 143 ALA HB1 H 1 1.304 . . 2 . . . . 143 A Hb# . 15541 1 981 . 2 1 143 143 ALA HB2 H 1 1.304 . . 2 . . . . 143 A Hb# . 15541 1 982 . 2 1 143 143 ALA HB3 H 1 1.304 . . 2 . . . . 143 A Hb# . 15541 1 983 . 2 1 143 143 ALA C C 13 179.347 . . 1 . . . . 143 A C . 15541 1 984 . 2 1 143 143 ALA CA C 13 54.432 . . 1 . . . . 143 A Ca . 15541 1 985 . 2 1 143 143 ALA CB C 13 18.337 . . 1 . . . . 143 A Cb . 15541 1 986 . 2 1 143 143 ALA N N 15 123.576 . . 1 . . . . 143 A N . 15541 1 987 . 2 1 144 144 ALA H H 1 7.754 . . 1 . . . . 144 A H . 15541 1 988 . 2 1 144 144 ALA HA H 1 4.130 . . 1 . . . . 144 A Ha . 15541 1 989 . 2 1 144 144 ALA HB1 H 1 1.232 . . 2 . . . . 144 A Hb# . 15541 1 990 . 2 1 144 144 ALA HB2 H 1 1.232 . . 2 . . . . 144 A Hb# . 15541 1 991 . 2 1 144 144 ALA HB3 H 1 1.232 . . 2 . . . . 144 A Hb# . 15541 1 992 . 2 1 144 144 ALA C C 13 178.857 . . 1 . . . . 144 A C . 15541 1 993 . 2 1 144 144 ALA CA C 13 54.456 . . 1 . . . . 144 A Ca . 15541 1 994 . 2 1 144 144 ALA CB C 13 18.597 . . 1 . . . . 144 A Cb . 15541 1 995 . 2 1 144 144 ALA N N 15 118.963 . . 1 . . . . 144 A N . 15541 1 996 . 2 1 145 145 ALA H H 1 8.271 . . 1 . . . . 145 A H . 15541 1 997 . 2 1 145 145 ALA HA H 1 3.771 . . 1 . . . . 145 A Ha . 15541 1 998 . 2 1 145 145 ALA HB1 H 1 1.157 . . 2 . . . . 145 A Hb# . 15541 1 999 . 2 1 145 145 ALA HB2 H 1 1.157 . . 2 . . . . 145 A Hb# . 15541 1 1000 . 2 1 145 145 ALA HB3 H 1 1.157 . . 2 . . . . 145 A Hb# . 15541 1 1001 . 2 1 145 145 ALA C C 13 179.128 . . 1 . . . . 145 A C . 15541 1 1002 . 2 1 145 145 ALA CA C 13 55.062 . . 1 . . . . 145 A Ca . 15541 1 1003 . 2 1 145 145 ALA CB C 13 17.820 . . 1 . . . . 145 A Cb . 15541 1 1004 . 2 1 145 145 ALA N N 15 119.071 . . 1 . . . . 145 A N . 15541 1 1005 . 2 1 146 146 ASP H H 1 7.096 . . 1 . . . . 146 D H . 15541 1 1006 . 2 1 146 146 ASP HA H 1 4.382 . . 1 . . . . 146 D Ha . 15541 1 1007 . 2 1 146 146 ASP HB2 H 1 2.746 . . 2 . . . . 146 D Hb# . 15541 1 1008 . 2 1 146 146 ASP HB3 H 1 2.746 . . 2 . . . . 146 D Hb# . 15541 1 1009 . 2 1 146 146 ASP C C 13 178.284 . . 1 . . . . 146 D C . 15541 1 1010 . 2 1 146 146 ASP CA C 13 57.602 . . 1 . . . . 146 D Ca . 15541 1 1011 . 2 1 146 146 ASP CB C 13 41.401 . . 1 . . . . 146 D Cb . 15541 1 1012 . 2 1 146 146 ASP N N 15 117.470 . . 1 . . . . 146 D N . 15541 1 1013 . 2 1 147 147 THR H H 1 8.189 . . 1 . . . . 147 T H . 15541 1 1014 . 2 1 147 147 THR C C 13 176.755 . . 1 . . . . 147 T C . 15541 1 1015 . 2 1 147 147 THR CA C 13 66.914 . . 1 . . . . 147 T Ca . 15541 1 1016 . 2 1 147 147 THR N N 15 117.582 . . 1 . . . . 147 T N . 15541 1 1017 . 2 1 148 148 VAL H H 1 8.926 . . 1 . . . . 148 V H . 15541 1 1018 . 2 1 148 148 VAL HA H 1 3.565 . . 1 . . . . 148 V Ha . 15541 1 1019 . 2 1 148 148 VAL HB H 1 2.118 . . 1 . . . . 148 V Hb . 15541 1 1020 . 2 1 148 148 VAL C C 13 177.524 . . 1 . . . . 148 V C . 15541 1 1021 . 2 1 148 148 VAL CA C 13 67.272 . . 1 . . . . 148 V Ca . 15541 1 1022 . 2 1 148 148 VAL CB C 13 31.031 . . 1 . . . . 148 V Cb . 15541 1 1023 . 2 1 148 148 VAL N N 15 122.483 . . 1 . . . . 148 V N . 15541 1 1024 . 2 1 149 149 ARG H H 1 7.774 . . 1 . . . . 149 R H . 15541 1 1025 . 2 1 149 149 ARG HA H 1 4.005 . . 1 . . . . 149 R Ha . 15541 1 1026 . 2 1 149 149 ARG C C 13 180.071 . . 1 . . . . 149 R C . 15541 1 1027 . 2 1 149 149 ARG CA C 13 60.311 . . 1 . . . . 149 R Ca . 15541 1 1028 . 2 1 149 149 ARG CB C 13 29.939 . . 1 . . . . 149 R Cb . 15541 1 1029 . 2 1 149 149 ARG N N 15 119.748 . . 1 . . . . 149 R N . 15541 1 1030 . 2 1 150 150 LYS H H 1 7.578 . . 1 . . . . 150 K H . 15541 1 1031 . 2 1 150 150 LYS HA H 1 3.978 . . 1 . . . . 150 K Ha . 15541 1 1032 . 2 1 150 150 LYS C C 13 179.105 . . 1 . . . . 150 K C . 15541 1 1033 . 2 1 150 150 LYS CA C 13 60.090 . . 1 . . . . 150 K Ca . 15541 1 1034 . 2 1 150 150 LYS CB C 13 32.875 . . 1 . . . . 150 K Cb . 15541 1 1035 . 2 1 150 150 LYS N N 15 119.377 . . 1 . . . . 150 K N . 15541 1 1036 . 2 1 151 151 LEU H H 1 8.643 . . 1 . . . . 151 L H . 15541 1 1037 . 2 1 151 151 LEU HA H 1 4.010 . . 1 . . . . 151 L Ha . 15541 1 1038 . 2 1 151 151 LEU HB2 H 1 1.402 . . 2 . . . . 151 L Hb# . 15541 1 1039 . 2 1 151 151 LEU HB3 H 1 1.402 . . 2 . . . . 151 L Hb# . 15541 1 1040 . 2 1 151 151 LEU C C 13 179.340 . . 1 . . . . 151 L C . 15541 1 1041 . 2 1 151 151 LEU CA C 13 58.122 . . 1 . . . . 151 L Ca . 15541 1 1042 . 2 1 151 151 LEU CB C 13 41.997 . . 1 . . . . 151 L Cb . 15541 1 1043 . 2 1 151 151 LEU N N 15 120.523 . . 1 . . . . 151 L N . 15541 1 1044 . 2 1 152 152 ARG H H 1 8.625 . . 1 . . . . 152 R H . 15541 1 1045 . 2 1 152 152 ARG HA H 1 4.090 . . 1 . . . . 152 R Ha . 15541 1 1046 . 2 1 152 152 ARG HB2 H 1 2.220 . . 2 . . . . 152 R HB2 . 15541 1 1047 . 2 1 152 152 ARG HB3 H 1 1.903 . . 2 . . . . 152 R HB3 . 15541 1 1048 . 2 1 152 152 ARG C C 13 179.435 . . 1 . . . . 152 R C . 15541 1 1049 . 2 1 152 152 ARG CA C 13 59.333 . . 1 . . . . 152 R Ca . 15541 1 1050 . 2 1 152 152 ARG CB C 13 30.409 . . 1 . . . . 152 R Cb . 15541 1 1051 . 2 1 152 152 ARG N N 15 119.273 . . 1 . . . . 152 R N . 15541 1 1052 . 2 1 153 153 PHE H H 1 7.602 . . 1 . . . . 153 F H . 15541 1 1053 . 2 1 153 153 PHE HA H 1 4.416 . . 1 . . . . 153 F Ha . 15541 1 1054 . 2 1 153 153 PHE C C 13 177.930 . . 1 . . . . 153 F C . 15541 1 1055 . 2 1 153 153 PHE CA C 13 61.809 . . 1 . . . . 153 F Ca . 15541 1 1056 . 2 1 153 153 PHE CB C 13 38.889 . . 1 . . . . 153 F Cb . 15541 1 1057 . 2 1 153 153 PHE N N 15 119.030 . . 1 . . . . 153 F N . 15541 1 1058 . 2 1 154 154 LEU H H 1 8.293 . . 1 . . . . 154 L H . 15541 1 1059 . 2 1 154 154 LEU HA H 1 3.995 . . 1 . . . . 154 L Ha . 15541 1 1060 . 2 1 154 154 LEU HB2 H 1 1.600 . . 2 . . . . 154 L Hb2 . 15541 1 1061 . 2 1 154 154 LEU HB3 H 1 2.350 . . 2 . . . . 154 L Hb3 . 15541 1 1062 . 2 1 154 154 LEU C C 13 178.426 . . 1 . . . . 154 L C . 15541 1 1063 . 2 1 154 154 LEU CA C 13 57.969 . . 1 . . . . 154 L Ca . 15541 1 1064 . 2 1 154 154 LEU CB C 13 43.301 . . 1 . . . . 154 L Cb . 15541 1 1065 . 2 1 154 154 LEU N N 15 119.807 . . 1 . . . . 154 L N . 15541 1 1066 . 2 1 155 155 ASP H H 1 9.044 . . 1 . . . . 155 D H . 15541 1 1067 . 2 1 155 155 ASP HA H 1 4.345 . . 1 . . . . 155 D Ha . 15541 1 1068 . 2 1 155 155 ASP HB2 H 1 2.896 . . 2 . . . . 155 D Hb# . 15541 1 1069 . 2 1 155 155 ASP HB3 H 1 2.896 . . 2 . . . . 155 D Hb# . 15541 1 1070 . 2 1 155 155 ASP C C 13 178.109 . . 1 . . . . 155 D C . 15541 1 1071 . 2 1 155 155 ASP CA C 13 57.754 . . 1 . . . . 155 D Ca . 15541 1 1072 . 2 1 155 155 ASP CB C 13 43.105 . . 1 . . . . 155 D Cb . 15541 1 1073 . 2 1 155 155 ASP N N 15 120.134 . . 1 . . . . 155 D N . 15541 1 1074 . 2 1 156 156 LYS H H 1 7.649 . . 1 . . . . 156 K H . 15541 1 1075 . 2 1 156 156 LYS HA H 1 4.099 . . 1 . . . . 156 K Ha . 15541 1 1076 . 2 1 156 156 LYS HB2 H 1 1.965 . . 2 . . . . 156 K Hb# . 15541 1 1077 . 2 1 156 156 LYS HB3 H 1 1.965 . . 2 . . . . 156 K Hb# . 15541 1 1078 . 2 1 156 156 LYS C C 13 179.420 . . 1 . . . . 156 K C . 15541 1 1079 . 2 1 156 156 LYS CA C 13 59.176 . . 1 . . . . 156 K Ca . 15541 1 1080 . 2 1 156 156 LYS CB C 13 32.092 . . 1 . . . . 156 K Cb . 15541 1 1081 . 2 1 156 156 LYS N N 15 119.219 . . 1 . . . . 156 K N . 15541 1 1082 . 2 1 157 157 LEU H H 1 7.970 . . 1 . . . . 157 L H . 15541 1 1083 . 2 1 157 157 LEU HA H 1 4.071 . . 1 . . . . 157 L Ha . 15541 1 1084 . 2 1 157 157 LEU HB2 H 1 1.728 . . 2 . . . . 157 L HB2 . 15541 1 1085 . 2 1 157 157 LEU HB3 H 1 1.534 . . 2 . . . . 157 L HB3 . 15541 1 1086 . 2 1 157 157 LEU C C 13 178.484 . . 1 . . . . 157 L C . 15541 1 1087 . 2 1 157 157 LEU CA C 13 57.847 . . 1 . . . . 157 L Ca . 15541 1 1088 . 2 1 157 157 LEU CB C 13 42.388 . . 1 . . . . 157 L Cb . 15541 1 1089 . 2 1 157 157 LEU N N 15 121.849 . . 1 . . . . 157 L N . 15541 1 1090 . 2 1 158 158 ARG H H 1 8.568 . . 1 . . . . 158 R H . 15541 1 1091 . 2 1 158 158 ARG HA H 1 3.723 . . 1 . . . . 158 R Ha . 15541 1 1092 . 2 1 158 158 ARG HB2 H 1 1.781 . . 2 . . . . 158 R HB2 . 15541 1 1093 . 2 1 158 158 ARG HB3 H 1 2.091 . . 2 . . . . 158 R HB3 . 15541 1 1094 . 2 1 158 158 ARG C C 13 178.213 . . 1 . . . . 158 R C . 15541 1 1095 . 2 1 158 158 ARG CA C 13 60.360 . . 1 . . . . 158 R Ca . 15541 1 1096 . 2 1 158 158 ARG CB C 13 28.797 . . 1 . . . . 158 R Cb . 15541 1 1097 . 2 1 158 158 ARG N N 15 119.254 . . 1 . . . . 158 R N . 15541 1 1098 . 2 1 159 159 SER H H 1 8.255 . . 1 . . . . 159 S H . 15541 1 1099 . 2 1 159 159 SER HA H 1 4.260 . . 1 . . . . 159 S Ha . 15541 1 1100 . 2 1 159 159 SER HB2 H 1 4.063 . . 2 . . . . 159 S Hb# . 15541 1 1101 . 2 1 159 159 SER HB3 H 1 4.063 . . 2 . . . . 159 S Hb# . 15541 1 1102 . 2 1 159 159 SER C C 13 177.366 . . 1 . . . . 159 S C . 15541 1 1103 . 2 1 159 159 SER CA C 13 61.905 . . 1 . . . . 159 S Ca . 15541 1 1104 . 2 1 159 159 SER CB C 13 62.839 . . 1 . . . . 159 S Cb . 15541 1 1105 . 2 1 159 159 SER N N 15 113.988 . . 1 . . . . 159 S N . 15541 1 1106 . 2 1 160 160 SER H H 1 8.296 . . 1 . . . . 160 S H . 15541 1 1107 . 2 1 160 160 SER HA H 1 4.240 . . 1 . . . . 160 S Ha . 15541 1 1108 . 2 1 160 160 SER HB2 H 1 3.951 . . 2 . . . . 160 S Hb# . 15541 1 1109 . 2 1 160 160 SER HB3 H 1 3.951 . . 2 . . . . 160 S Hb# . 15541 1 1110 . 2 1 160 160 SER C C 13 176.721 . . 1 . . . . 160 S C . 15541 1 1111 . 2 1 160 160 SER CA C 13 62.104 . . 1 . . . . 160 S Ca . 15541 1 1112 . 2 1 160 160 SER CB C 13 63.036 . . 1 . . . . 160 S Cb . 15541 1 1113 . 2 1 160 160 SER N N 15 118.447 . . 1 . . . . 160 S N . 15541 1 1114 . 2 1 161 161 ALA H H 1 8.456 . . 1 . . . . 161 A H . 15541 1 1115 . 2 1 161 161 ALA HA H 1 4.100 . . 1 . . . . 161 A Ha . 15541 1 1116 . 2 1 161 161 ALA HB1 H 1 1.644 . . 2 . . . . 161 A Hb# . 15541 1 1117 . 2 1 161 161 ALA HB2 H 1 1.644 . . 2 . . . . 161 A Hb# . 15541 1 1118 . 2 1 161 161 ALA HB3 H 1 1.644 . . 2 . . . . 161 A Hb# . 15541 1 1119 . 2 1 161 161 ALA C C 13 178.843 . . 1 . . . . 161 A C . 15541 1 1120 . 2 1 161 161 ALA CA C 13 55.402 . . 1 . . . . 161 A Ca . 15541 1 1121 . 2 1 161 161 ALA CB C 13 18.862 . . 1 . . . . 161 A Cb . 15541 1 1122 . 2 1 161 161 ALA N N 15 125.247 . . 1 . . . . 161 A N . 15541 1 1123 . 2 1 162 162 GLU H H 1 8.667 . . 1 . . . . 162 E H . 15541 1 1124 . 2 1 162 162 GLU HB2 H 1 2.145 . . 2 . . . . 162 E Hb# . 15541 1 1125 . 2 1 162 162 GLU HB3 H 1 2.145 . . 2 . . . . 162 E Hb# . 15541 1 1126 . 2 1 162 162 GLU C C 13 179.889 . . 1 . . . . 162 E C . 15541 1 1127 . 2 1 162 162 GLU CA C 13 59.686 . . 1 . . . . 162 E Ca . 15541 1 1128 . 2 1 162 162 GLU CB C 13 29.665 . . 1 . . . . 162 E Cb . 15541 1 1129 . 2 1 162 162 GLU N N 15 117.909 . . 1 . . . . 162 E N . 15541 1 1130 . 2 1 163 163 GLN H H 1 8.092 . . 1 . . . . 163 Q H . 15541 1 1131 . 2 1 163 163 GLN HA H 1 4.163 . . 1 . . . . 163 Q Ha . 15541 1 1132 . 2 1 163 163 GLN HB2 H 1 2.166 . . 2 . . . . 163 Q Hb# . 15541 1 1133 . 2 1 163 163 GLN HB3 H 1 2.166 . . 2 . . . . 163 Q Hb# . 15541 1 1134 . 2 1 163 163 GLN CA C 13 58.643 . . 1 . . . . 163 Q Ca . 15541 1 1135 . 2 1 163 163 GLN CB C 13 28.530 . . 1 . . . . 163 Q Cb . 15541 1 1136 . 2 1 163 163 GLN CD C 13 178.631 . . 1 . . . . 163 Q CD . 15541 1 1137 . 2 1 163 163 GLN CG C 13 178.318 . . 1 . . . . 163 Q CG . 15541 1 1138 . 2 1 163 163 GLN N N 15 119.388 . . 1 . . . . 163 Q N . 15541 1 1139 . 2 1 164 164 LEU H H 1 7.712 . . 1 . . . . 164 L H . 15541 1 1140 . 2 1 164 164 LEU HA H 1 4.152 . . 1 . . . . 164 L Ha . 15541 1 1141 . 2 1 164 164 LEU HB2 H 1 1.923 . . 2 . . . . 164 L HB2 . 15541 1 1142 . 2 1 164 164 LEU HB3 H 1 1.720 . . 2 . . . . 164 L HB3 . 15541 1 1143 . 2 1 164 164 LEU C C 13 177.896 . . 1 . . . . 164 L C . 15541 1 1144 . 2 1 164 164 LEU CA C 13 57.232 . . 1 . . . . 164 L Ca . 15541 1 1145 . 2 1 164 164 LEU CB C 13 40.861 . . 1 . . . . 164 L Cb . 15541 1 1146 . 2 1 164 164 LEU N N 15 121.095 . . 1 . . . . 164 L N . 15541 1 1147 . 2 1 165 165 GLU H H 1 8.024 . . 1 . . . . 165 E H . 15541 1 1148 . 2 1 165 165 GLU HA H 1 3.722 . . 1 . . . . 165 E Ha . 15541 1 1149 . 2 1 165 165 GLU HB2 H 1 2.154 . . 2 . . . . 165 E Hb# . 15541 1 1150 . 2 1 165 165 GLU HB3 H 1 2.154 . . 2 . . . . 165 E Hb# . 15541 1 1151 . 2 1 165 165 GLU C C 13 177.760 . . 1 . . . . 165 E C . 15541 1 1152 . 2 1 165 165 GLU CA C 13 59.918 . . 1 . . . . 165 E Ca . 15541 1 1153 . 2 1 165 165 GLU CB C 13 29.880 . . 1 . . . . 165 E Cb . 15541 1 1154 . 2 1 165 165 GLU N N 15 120.069 . . 1 . . . . 165 E N . 15541 1 1155 . 2 1 166 166 GLU H H 1 7.560 . . 1 . . . . 166 E H . 15541 1 1156 . 2 1 166 166 GLU HA H 1 4.008 . . 1 . . . . 166 E Ha . 15541 1 1157 . 2 1 166 166 GLU HB2 H 1 2.115 . . 2 . . . . 166 E Hb# . 15541 1 1158 . 2 1 166 166 GLU HB3 H 1 2.115 . . 2 . . . . 166 E Hb# . 15541 1 1159 . 2 1 166 166 GLU C C 13 178.335 . . 1 . . . . 166 E C . 15541 1 1160 . 2 1 166 166 GLU CA C 13 58.857 . . 1 . . . . 166 E Ca . 15541 1 1161 . 2 1 166 166 GLU CB C 13 29.901 . . 1 . . . . 166 E Cb . 15541 1 1162 . 2 1 166 166 GLU N N 15 116.325 . . 1 . . . . 166 E N . 15541 1 1163 . 2 1 167 167 LYS H H 1 7.606 . . 1 . . . . 167 K H . 15541 1 1164 . 2 1 167 167 LYS HA H 1 4.245 . . 1 . . . . 167 K Ha . 15541 1 1165 . 2 1 167 167 LYS HB2 H 1 1.950 . . 2 . . . . 167 K Hb# . 15541 1 1166 . 2 1 167 167 LYS HB3 H 1 1.950 . . 2 . . . . 167 K Hb# . 15541 1 1167 . 2 1 167 167 LYS C C 13 178.459 . . 1 . . . . 167 K C . 15541 1 1168 . 2 1 167 167 LYS CA C 13 57.834 . . 1 . . . . 167 K Ca . 15541 1 1169 . 2 1 167 167 LYS CB C 13 32.809 . . 1 . . . . 167 K Cb . 15541 1 1170 . 2 1 167 167 LYS N N 15 118.294 . . 1 . . . . 167 K N . 15541 1 1171 . 2 1 168 168 LEU H H 1 8.057 . . 1 . . . . 168 L H . 15541 1 1172 . 2 1 168 168 LEU HA H 1 4.162 . . 1 . . . . 168 L Ha . 15541 1 1173 . 2 1 168 168 LEU HB2 H 1 1.780 . . 2 . . . . 168 L HB2 . 15541 1 1174 . 2 1 168 168 LEU HB3 H 1 1.535 . . 2 . . . . 168 L HB3 . 15541 1 1175 . 2 1 168 168 LEU C C 13 177.854 . . 1 . . . . 168 L C . 15541 1 1176 . 2 1 168 168 LEU CA C 13 56.688 . . 1 . . . . 168 L Ca . 15541 1 1177 . 2 1 168 168 LEU CB C 13 41.599 . . 1 . . . . 168 L Cb . 15541 1 1178 . 2 1 168 168 LEU N N 15 118.939 . . 1 . . . . 168 L N . 15541 1 1179 . 2 1 169 169 LEU H H 1 7.638 . . 1 . . . . 169 L H . 15541 1 1180 . 2 1 169 169 LEU HA H 1 4.306 . . 1 . . . . 169 L Ha . 15541 1 1181 . 2 1 169 169 LEU HB2 H 1 1.696 . . 2 . . . . 169 L HB2 . 15541 1 1182 . 2 1 169 169 LEU HB3 H 1 1.510 . . 2 . . . . 169 L HB3 . 15541 1 1183 . 2 1 169 169 LEU C C 13 176.951 . . 1 . . . . 169 L C . 15541 1 1184 . 2 1 169 169 LEU CA C 13 55.313 . . 1 . . . . 169 L Ca . 15541 1 1185 . 2 1 169 169 LEU CB C 13 42.049 . . 1 . . . . 169 L Cb . 15541 1 1186 . 2 1 169 169 LEU N N 15 118.186 . . 1 . . . . 169 L N . 15541 1 1187 . 2 1 170 170 ASP H H 1 7.674 . . 1 . . . . 170 D H . 15541 1 1188 . 2 1 170 170 ASP HA H 1 4.609 . . 1 . . . . 170 D Ha . 15541 1 1189 . 2 1 170 170 ASP HB2 H 1 2.737 . . 2 . . . . 170 D HB2 . 15541 1 1190 . 2 1 170 170 ASP HB3 H 1 2.545 . . 2 . . . . 170 D HB3 . 15541 1 1191 . 2 1 170 170 ASP C C 13 174.792 . . 1 . . . . 170 D C . 15541 1 1192 . 2 1 170 170 ASP CA C 13 54.261 . . 1 . . . . 170 D Ca . 15541 1 1193 . 2 1 170 170 ASP CB C 13 41.277 . . 1 . . . . 170 D Cb . 15541 1 1194 . 2 1 170 170 ASP N N 15 120.194 . . 1 . . . . 170 D N . 15541 1 1195 . 2 1 171 171 PHE H H 1 7.523 . . 1 . . . . 171 F H . 15541 1 1196 . 2 1 171 171 PHE HA H 1 4.422 . . 1 . . . . 171 F Ha . 15541 1 1197 . 2 1 171 171 PHE CA C 13 59.127 . . 1 . . . . 171 F Ca . 15541 1 1198 . 2 1 171 171 PHE CB C 13 40.341 . . 1 . . . . 171 F Cb . 15541 1 1199 . 2 1 171 171 PHE N N 15 125.136 . . 1 . . . . 171 F N . 15541 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 15541 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; chemical shifts were assigned by monitoring H/N chemical shift changes during a step-wise titration of HscB with IscU; reported values are for fully saturated HscB (i.e. [HscB]:[IscU] = 1:2.5) ; _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 9 '2D 1H-15N HSQC' . . . 15541 2 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 15541 2 2 $SPARKY . . 15541 2 4 $VNMRJ . . 15541 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 1 3 3 TYR H H 1 8.587 . . 1 . . . . 3 Y H . 15541 2 2 . 2 1 3 3 TYR N N 15 117.382 . . 1 . . . . 3 Y N . 15541 2 3 . 2 1 4 4 PHE H H 1 8.364 . . 1 . . . . 4 F H . 15541 2 4 . 2 1 4 4 PHE N N 15 116.402 . . 1 . . . . 4 F N . 15541 2 5 . 2 1 5 5 THR H H 1 9.062 . . 1 . . . . 5 T H . 15541 2 6 . 2 1 5 5 THR N N 15 120.894 . . 1 . . . . 5 T N . 15541 2 7 . 2 1 6 6 LEU H H 1 8.192 . . 1 . . . . 6 L H . 15541 2 8 . 2 1 6 6 LEU N N 15 124.704 . . 1 . . . . 6 L N . 15541 2 9 . 2 1 7 7 PHE H H 1 7.211 . . 1 . . . . 7 F H . 15541 2 10 . 2 1 7 7 PHE N N 15 115.031 . . 1 . . . . 7 F N . 15541 2 11 . 2 1 8 8 GLY H H 1 8.272 . . 1 . . . . 8 G H . 15541 2 12 . 2 1 8 8 GLY N N 15 110.720 . . 1 . . . . 8 G N . 15541 2 13 . 2 1 9 9 LEU H H 1 8.319 . . 1 . . . . 9 L H . 15541 2 14 . 2 1 9 9 LEU N N 15 121.815 . . 1 . . . . 9 L N . 15541 2 15 . 2 1 11 11 ALA H H 1 8.224 . . 1 . . . . 11 A H . 15541 2 16 . 2 1 11 11 ALA N N 15 125.260 . . 1 . . . . 11 A N . 15541 2 17 . 2 1 12 12 ARG H H 1 6.878 . . 5 . . . . 12 R H . 15541 2 18 . 2 1 12 12 ARG N N 15 123.712 . . 5 . . . . 12 R N . 15541 2 19 . 2 1 13 13 TYR H H 1 9.463 . . 1 . . . . 13 Y H . 15541 2 20 . 2 1 13 13 TYR N N 15 121.633 . . 1 . . . . 13 Y N . 15541 2 21 . 2 1 14 14 GLN H H 1 8.737 . . 1 . . . . 14 Q H . 15541 2 22 . 2 1 14 14 GLN N N 15 118.571 . . 1 . . . . 14 Q N . 15541 2 23 . 2 1 15 15 LEU H H 1 7.584 . . 1 . . . . 15 L H . 15541 2 24 . 2 1 15 15 LEU N N 15 123.906 . . 1 . . . . 15 L N . 15541 2 25 . 2 1 18 18 GLN H H 1 8.382 . . 1 . . . . 18 Q H . 15541 2 26 . 2 1 18 18 GLN N N 15 125.379 . . 1 . . . . 18 Q N . 15541 2 27 . 2 1 19 19 ALA H H 1 7.803 . . 1 . . . . 19 A H . 15541 2 28 . 2 1 19 19 ALA N N 15 124.572 . . 1 . . . . 19 A N . 15541 2 29 . 2 1 20 20 LEU H H 1 8.059 . . 1 . . . . 20 L H . 15541 2 30 . 2 1 20 20 LEU N N 15 119.300 . . 5 . . . . 20 L N . 15541 2 31 . 2 1 21 21 SER H H 1 7.874 . . 5 . . . . 21 S H . 15541 2 32 . 2 1 21 21 SER N N 15 114.445 . . 1 . . . . 21 S N . 15541 2 33 . 2 1 22 22 LEU H H 1 7.675 . . 1 . . . . 22 L H . 15541 2 34 . 2 1 22 22 LEU N N 15 122.353 . . 1 . . . . 22 L N . 15541 2 35 . 2 1 23 23 ARG H H 1 7.960 . . 5 . . . . 23 R H . 15541 2 36 . 2 1 23 23 ARG N N 15 120.424 . . 5 . . . . 23 R N . 15541 2 37 . 2 1 24 24 PHE H H 1 8.651 . . 1 . . . . 24 F H . 15541 2 38 . 2 1 24 24 PHE N N 15 120.484 . . 1 . . . . 24 F N . 15541 2 39 . 2 1 25 25 GLN H H 1 7.834 . . 1 . . . . 25 Q H . 15541 2 40 . 2 1 25 25 GLN N N 15 118.019 . . 1 . . . . 25 Q N . 15541 2 41 . 2 1 26 26 ASP H H 1 7.680 . . 1 . . . . 26 D H . 15541 2 42 . 2 1 26 26 ASP N N 15 120.090 . . 1 . . . . 26 D N . 15541 2 43 . 2 1 27 27 LEU H H 1 8.254 . . 1 . . . . 27 L H . 15541 2 44 . 2 1 27 27 LEU N N 15 121.851 . . 1 . . . . 27 L N . 15541 2 45 . 2 1 28 28 GLN H H 1 8.338 . . 1 . . . . 28 Q H . 15541 2 46 . 2 1 28 28 GLN N N 15 117.781 . . 1 . . . . 28 Q N . 15541 2 47 . 2 1 29 29 ARG H H 1 7.354 . . 1 . . . . 29 R H . 15541 2 48 . 2 1 29 29 ARG N N 15 117.947 . . 1 . . . . 29 R N . 15541 2 49 . 2 1 30 30 GLN H H 1 7.637 . . 5 . . . . 30 Q H . 15541 2 50 . 2 1 30 30 GLN N N 15 118.774 . . 5 . . . . 30 Q N . 15541 2 51 . 2 1 31 31 TYR H H 1 7.345 . . 5 . . . . 31 Y H . 15541 2 52 . 2 1 31 31 TYR N N 15 115.076 . . 5 . . . . 31 Y N . 15541 2 53 . 2 1 32 32 HIS H H 1 6.996 . . 1 . . . . 32 H H . 15541 2 54 . 2 1 32 32 HIS N N 15 122.887 . . 1 . . . . 32 H N . 15541 2 55 . 2 1 34 34 ASP H H 1 10.359 . . 1 . . . . 34 D H . 15541 2 56 . 2 1 34 34 ASP N N 15 122.092 . . 1 . . . . 34 D N . 15541 2 57 . 2 1 35 35 LYS H H 1 8.131 . . 1 . . . . 35 K H . 15541 2 58 . 2 1 35 35 LYS N N 15 119.244 . . 1 . . . . 35 K N . 15541 2 59 . 2 1 36 36 PHE H H 1 7.579 . . 1 . . . . 36 F H . 15541 2 60 . 2 1 36 36 PHE N N 15 117.479 . . 1 . . . . 36 F N . 15541 2 61 . 2 1 37 37 ALA H H 1 7.348 . . 1 . . . . 37 A H . 15541 2 62 . 2 1 37 37 ALA N N 15 124.596 . . 1 . . . . 37 A N . 15541 2 63 . 2 1 39 39 GLY H H 1 7.956 . . 1 . . . . 39 G H . 15541 2 64 . 2 1 39 39 GLY N N 15 111.021 . . 1 . . . . 39 G N . 15541 2 65 . 2 1 40 40 SER H H 1 8.613 . . 1 . . . . 40 S H . 15541 2 66 . 2 1 40 40 SER N N 15 116.414 . . 1 . . . . 40 S N . 15541 2 67 . 2 1 43 43 GLU H H 1 7.787 . . 1 . . . . 43 E H . 15541 2 68 . 2 1 43 43 GLU N N 15 120.052 . . 1 . . . . 43 E N . 15541 2 69 . 2 1 44 44 GLN H H 1 8.172 . . 1 . . . . 44 Q H . 15541 2 70 . 2 1 44 44 GLN N N 15 120.627 . . 1 . . . . 44 Q N . 15541 2 71 . 2 1 45 45 LEU H H 1 8.243 . . 1 . . . . 45 L H . 15541 2 72 . 2 1 45 45 LEU N N 15 120.645 . . 1 . . . . 45 L N . 15541 2 73 . 2 1 46 46 ALA H H 1 7.779 . . 1 . . . . 46 A H . 15541 2 74 . 2 1 46 46 ALA N N 15 122.157 . . 1 . . . . 46 A N . 15541 2 75 . 2 1 47 47 ALA H H 1 7.498 . . 1 . . . . 47 A H . 15541 2 76 . 2 1 47 47 ALA N N 15 122.008 . . 1 . . . . 47 A N . 15541 2 77 . 2 1 48 48 VAL H H 1 7.780 . . 1 . . . . 48 V H . 15541 2 78 . 2 1 48 48 VAL N N 15 120.885 . . 1 . . . . 48 V N . 15541 2 79 . 2 1 49 49 GLN H H 1 7.955 . . 1 . . . . 49 Q H . 15541 2 80 . 2 1 49 49 GLN N N 15 120.751 . . 1 . . . . 49 Q N . 15541 2 81 . 2 1 50 50 GLN H H 1 8.307 . . 1 . . . . 50 Q H . 15541 2 82 . 2 1 50 50 GLN N N 15 121.130 . . 1 . . . . 50 Q N . 15541 2 83 . 2 1 51 51 SER H H 1 8.300 . . 1 . . . . 51 S H . 15541 2 84 . 2 1 51 51 SER N N 15 115.472 . . 1 . . . . 51 S N . 15541 2 85 . 2 1 52 52 ALA H H 1 7.945 . . 1 . . . . 52 A H . 15541 2 86 . 2 1 52 52 ALA N N 15 125.096 . . 1 . . . . 52 A N . 15541 2 87 . 2 1 53 53 THR H H 1 8.021 . . 1 . . . . 53 T H . 15541 2 88 . 2 1 53 53 THR N N 15 118.618 . . 1 . . . . 53 T N . 15541 2 89 . 2 1 54 54 ILE H H 1 8.242 . . 1 . . . . 54 I H . 15541 2 90 . 2 1 54 54 ILE N N 15 121.570 . . 1 . . . . 54 I N . 15541 2 91 . 2 1 55 55 ASN H H 1 7.953 . . 1 . . . . 55 N H . 15541 2 92 . 2 1 55 55 ASN N N 15 118.854 . . 1 . . . . 55 N N . 15541 2 93 . 2 1 56 56 GLN H H 1 8.029 . . 1 . . . . 56 Q H . 15541 2 94 . 2 1 56 56 GLN N N 15 120.772 . . 1 . . . . 56 Q N . 15541 2 95 . 2 1 57 57 ALA H H 1 8.404 . . 1 . . . . 57 A H . 15541 2 96 . 2 1 57 57 ALA N N 15 125.355 . . 1 . . . . 57 A N . 15541 2 97 . 2 1 58 58 TRP H H 1 8.186 . . 1 . . . . 58 W H . 15541 2 98 . 2 1 58 58 TRP N N 15 119.891 . . 1 . . . . 58 W N . 15541 2 99 . 2 1 59 59 GLN H H 1 7.846 . . 1 . . . . 59 Q H . 15541 2 100 . 2 1 59 59 GLN N N 15 115.674 . . 1 . . . . 59 Q N . 15541 2 101 . 2 1 60 60 THR H H 1 7.490 . . 1 . . . . 60 T H . 15541 2 102 . 2 1 60 60 THR N N 15 114.344 . . 1 . . . . 60 T N . 15541 2 103 . 2 1 61 61 LEU H H 1 7.798 . . 1 . . . . 61 L H . 15541 2 104 . 2 1 61 61 LEU N N 15 114.931 . . 1 . . . . 61 L N . 15541 2 105 . 2 1 62 62 ARG H H 1 7.947 . . 1 . . . . 62 R H . 15541 2 106 . 2 1 62 62 ARG N N 15 116.732 . . 1 . . . . 62 R N . 15541 2 107 . 2 1 63 63 HIS H H 1 6.873 . . 5 . . . . 63 H H . 15541 2 108 . 2 1 63 63 HIS N N 15 123.871 . . 5 . . . . 63 H N . 15541 2 109 . 2 1 69 69 GLU H H 1 8.319 . . 1 . . . . 69 E H . 15541 2 110 . 2 1 69 69 GLU N N 15 117.224 . . 1 . . . . 69 E N . 15541 2 111 . 2 1 70 70 TYR H H 1 8.941 . . 1 . . . . 70 Y H . 15541 2 112 . 2 1 70 70 TYR N N 15 122.542 . . 1 . . . . 70 Y N . 15541 2 113 . 2 1 71 71 LEU H H 1 8.612 . . 1 . . . . 71 L H . 15541 2 114 . 2 1 71 71 LEU N N 15 123.006 . . 1 . . . . 71 L N . 15541 2 115 . 2 1 72 72 LEU H H 1 8.218 . . 1 . . . . 72 L H . 15541 2 116 . 2 1 72 72 LEU N N 15 117.876 . . 1 . . . . 72 L N . 15541 2 117 . 2 1 74 74 LEU H H 1 7.221 . . 1 . . . . 74 L H . 15541 2 118 . 2 1 74 74 LEU N N 15 123.214 . . 1 . . . . 74 L N . 15541 2 119 . 2 1 75 75 HIS H H 1 7.358 . . 1 . . . . 75 H H . 15541 2 120 . 2 1 75 75 HIS N N 15 116.161 . . 1 . . . . 75 H N . 15541 2 121 . 2 1 76 76 GLY H H 1 7.322 . . 1 . . . . 76 G H . 15541 2 122 . 2 1 76 76 GLY N N 15 127.287 . . 1 . . . . 76 G N . 15541 2 123 . 2 1 77 77 PHE H H 1 7.548 . . 1 . . . . 77 F H . 15541 2 124 . 2 1 77 77 PHE N N 15 120.190 . . 1 . . . . 77 F N . 15541 2 125 . 2 1 90 90 ALA H H 1 8.274 . . 1 . . . . 90 A H . 15541 2 126 . 2 1 90 90 ALA N N 15 124.634 . . 1 . . . . 90 A N . 15541 2 127 . 2 1 101 101 GLU H H 1 7.971 . . 1 . . . . 101 E H . 15541 2 128 . 2 1 101 101 GLU N N 15 122.917 . . 1 . . . . 101 E N . 15541 2 129 . 2 1 102 102 LEU H H 1 7.928 . . 1 . . . . 102 L H . 15541 2 130 . 2 1 102 102 LEU N N 15 121.054 . . 1 . . . . 102 L N . 15541 2 131 . 2 1 105 105 ILE H H 1 8.377 . . 1 . . . . 105 I H . 15541 2 132 . 2 1 105 105 ILE N N 15 122.780 . . 1 . . . . 105 I N . 15541 2 133 . 2 1 106 106 GLU H H 1 8.508 . . 1 . . . . 106 E H . 15541 2 134 . 2 1 106 106 GLU N N 15 120.837 . . 1 . . . . 106 E N . 15541 2 135 . 2 1 107 107 GLN H H 1 8.011 . . 1 . . . . 107 Q H . 15541 2 136 . 2 1 107 107 GLN N N 15 118.832 . . 1 . . . . 107 Q N . 15541 2 137 . 2 1 108 108 ALA H H 1 7.806 . . 1 . . . . 108 A H . 15541 2 138 . 2 1 108 108 ALA N N 15 119.636 . . 1 . . . . 108 A N . 15541 2 139 . 2 1 109 109 LYS H H 1 8.031 . . 1 . . . . 109 K H . 15541 2 140 . 2 1 109 109 LYS N N 15 117.573 . . 1 . . . . 109 K N . 15541 2 141 . 2 1 110 110 ASP H H 1 6.891 . . 1 . . . . 110 D H . 15541 2 142 . 2 1 110 110 ASP N N 15 116.779 . . 1 . . . . 110 D N . 15541 2 143 . 2 1 111 111 GLU H H 1 8.566 . . 1 . . . . 111 E H . 15541 2 144 . 2 1 111 111 GLU N N 15 126.716 . . 1 . . . . 111 E N . 15541 2 145 . 2 1 112 112 ALA H H 1 8.184 . . 1 . . . . 112 A H . 15541 2 146 . 2 1 112 112 ALA N N 15 124.186 . . 1 . . . . 112 A N . 15541 2 147 . 2 1 113 113 ARG H H 1 7.960 . . 5 . . . . 113 R H . 15541 2 148 . 2 1 113 113 ARG N N 15 120.424 . . 5 . . . . 113 R N . 15541 2 149 . 2 1 114 114 LEU H H 1 8.193 . . 1 . . . . 114 L H . 15541 2 150 . 2 1 114 114 LEU N N 15 122.350 . . 1 . . . . 114 L N . 15541 2 151 . 2 1 115 115 GLU H H 1 8.204 . . 1 . . . . 115 E H . 15541 2 152 . 2 1 115 115 GLU N N 15 120.280 . . 1 . . . . 115 E N . 15541 2 153 . 2 1 116 116 SER H H 1 7.510 . . 1 . . . . 116 S H . 15541 2 154 . 2 1 116 116 SER N N 15 113.820 . . 1 . . . . 116 S N . 15541 2 155 . 2 1 117 117 PHE H H 1 8.524 . . 1 . . . . 117 F H . 15541 2 156 . 2 1 117 117 PHE N N 15 125.856 . . 1 . . . . 117 F N . 15541 2 157 . 2 1 118 118 ILE H H 1 8.853 . . 1 . . . . 118 I H . 15541 2 158 . 2 1 118 118 ILE N N 15 120.320 . . 1 . . . . 118 I N . 15541 2 159 . 2 1 119 119 LYS H H 1 7.637 . . 5 . . . . 119 K H . 15541 2 160 . 2 1 119 119 LYS N N 15 118.774 . . 5 . . . . 119 K N . 15541 2 161 . 2 1 120 120 ARG H H 1 7.924 . . 1 . . . . 120 R H . 15541 2 162 . 2 1 120 120 ARG N N 15 121.554 . . 1 . . . . 120 R N . 15541 2 163 . 2 1 121 121 VAL H H 1 8.405 . . 1 . . . . 121 V H . 15541 2 164 . 2 1 121 121 VAL N N 15 120.968 . . 1 . . . . 121 V N . 15541 2 165 . 2 1 122 122 LYS H H 1 8.592 . . 1 . . . . 122 K H . 15541 2 166 . 2 1 122 122 LYS N N 15 121.733 . . 1 . . . . 122 K N . 15541 2 167 . 2 1 123 123 LYS H H 1 7.672 . . 1 . . . . 123 K H . 15541 2 168 . 2 1 123 123 LYS N N 15 120.148 . . 1 . . . . 123 K N . 15541 2 169 . 2 1 125 125 PHE H H 1 8.738 . . 1 . . . . 125 F H . 15541 2 170 . 2 1 125 125 PHE N N 15 121.530 . . 1 . . . . 125 F N . 15541 2 171 . 2 1 126 126 ASP H H 1 9.041 . . 1 . . . . 126 D H . 15541 2 172 . 2 1 126 126 ASP N N 15 121.220 . . 1 . . . . 126 D N . 15541 2 173 . 2 1 127 127 THR H H 1 8.265 . . 1 . . . . 127 T H . 15541 2 174 . 2 1 127 127 THR N N 15 116.553 . . 1 . . . . 127 T N . 15541 2 175 . 2 1 129 129 HIS H H 1 9.234 . . 1 . . . . 129 H H . 15541 2 176 . 2 1 129 129 HIS N N 15 122.831 . . 1 . . . . 129 H N . 15541 2 177 . 2 1 130 130 GLN H H 1 7.730 . . 1 . . . . 130 Q H . 15541 2 178 . 2 1 130 130 GLN N N 15 117.922 . . 1 . . . . 130 Q N . 15541 2 179 . 2 1 131 131 LEU H H 1 6.928 . . 1 . . . . 131 L H . 15541 2 180 . 2 1 131 131 LEU N N 15 120.666 . . 1 . . . . 131 L N . 15541 2 181 . 2 1 132 132 MET H H 1 8.059 . . 5 . . . . 132 M H . 15541 2 182 . 2 1 132 132 MET N N 15 119.300 . . 5 . . . . 132 M N . 15541 2 183 . 2 1 133 133 VAL H H 1 7.786 . . 1 . . . . 133 V H . 15541 2 184 . 2 1 133 133 VAL N N 15 118.523 . . 1 . . . . 133 V N . 15541 2 185 . 2 1 134 134 GLU H H 1 7.303 . . 1 . . . . 134 E H . 15541 2 186 . 2 1 134 134 GLU N N 15 119.349 . . 1 . . . . 134 E N . 15541 2 187 . 2 1 135 135 GLN H H 1 8.179 . . 5 . . . . 135 Q H . 15541 2 188 . 2 1 135 135 GLN N N 15 118.936 . . 5 . . . . 135 Q N . 15541 2 189 . 2 1 136 136 LEU H H 1 8.447 . . 1 . . . . 136 L H . 15541 2 190 . 2 1 136 136 LEU N N 15 119.630 . . 1 . . . . 136 L N . 15541 2 191 . 2 1 137 137 ASP H H 1 8.741 . . 1 . . . . 137 D H . 15541 2 192 . 2 1 137 137 ASP N N 15 123.429 . . 1 . . . . 137 D N . 15541 2 193 . 2 1 138 138 ASN H H 1 7.573 . . 1 . . . . 138 N H . 15541 2 194 . 2 1 138 138 ASN N N 15 116.200 . . 1 . . . . 138 N N . 15541 2 195 . 2 1 139 139 GLU H H 1 7.345 . . 5 . . . . 139 E H . 15541 2 196 . 2 1 139 139 GLU N N 15 115.076 . . 5 . . . . 139 E N . 15541 2 197 . 2 1 140 140 THR H H 1 7.807 . . 1 . . . . 140 T H . 15541 2 198 . 2 1 140 140 THR N N 15 112.660 . . 1 . . . . 140 T N . 15541 2 199 . 2 1 141 141 TRP H H 1 6.757 . . 1 . . . . 141 W H . 15541 2 200 . 2 1 141 141 TRP N N 15 122.513 . . 1 . . . . 141 W N . 15541 2 201 . 2 1 142 142 ASP H H 1 8.488 . . 1 . . . . 142 D H . 15541 2 202 . 2 1 142 142 ASP N N 15 115.726 . . 1 . . . . 142 D N . 15541 2 203 . 2 1 143 143 ALA H H 1 7.453 . . 1 . . . . 143 A H . 15541 2 204 . 2 1 143 143 ALA N N 15 124.441 . . 1 . . . . 143 A N . 15541 2 205 . 2 1 144 144 ALA H H 1 7.745 . . 1 . . . . 144 A H . 15541 2 206 . 2 1 144 144 ALA N N 15 119.566 . . 1 . . . . 144 A N . 15541 2 207 . 2 1 145 145 ALA H H 1 8.256 . . 1 . . . . 145 A H . 15541 2 208 . 2 1 145 145 ALA N N 15 119.586 . . 1 . . . . 145 A N . 15541 2 209 . 2 1 146 146 ASP H H 1 7.073 . . 1 . . . . 146 D H . 15541 2 210 . 2 1 146 146 ASP N N 15 117.821 . . 1 . . . . 146 D N . 15541 2 211 . 2 1 147 147 THR H H 1 8.113 . . 1 . . . . 147 T H . 15541 2 212 . 2 1 147 147 THR N N 15 117.907 . . 1 . . . . 147 T N . 15541 2 213 . 2 1 148 148 VAL H H 1 8.824 . . 1 . . . . 148 V H . 15541 2 214 . 2 1 148 148 VAL N N 15 123.363 . . 1 . . . . 148 V N . 15541 2 215 . 2 1 151 151 LEU H H 1 8.688 . . 1 . . . . 151 L H . 15541 2 216 . 2 1 151 151 LEU N N 15 122.004 . . 1 . . . . 151 L N . 15541 2 217 . 2 1 158 158 ARG H H 1 8.508 . . 1 . . . . 158 R H . 15541 2 218 . 2 1 158 158 ARG N N 15 119.768 . . 1 . . . . 158 R N . 15541 2 219 . 2 1 159 159 SER H H 1 8.324 . . 1 . . . . 159 S H . 15541 2 220 . 2 1 159 159 SER N N 15 114.732 . . 1 . . . . 159 S N . 15541 2 221 . 2 1 160 160 SER H H 1 8.328 . . 5 . . . . 160 S H . 15541 2 222 . 2 1 160 160 SER N N 15 119.356 . . 5 . . . . 160 S N . 15541 2 223 . 2 1 161 161 ALA H H 1 8.381 . . 1 . . . . 161 A H . 15541 2 224 . 2 1 161 161 ALA N N 15 125.895 . . 1 . . . . 161 A N . 15541 2 225 . 2 1 162 162 GLU H H 1 8.589 . . 1 . . . . 162 E H . 15541 2 226 . 2 1 162 162 GLU N N 15 118.532 . . 1 . . . . 162 E N . 15541 2 227 . 2 1 163 163 GLN H H 1 8.138 . . 1 . . . . 163 Q H . 15541 2 228 . 2 1 163 163 GLN N N 15 120.015 . . 1 . . . . 163 Q N . 15541 2 229 . 2 1 164 164 LEU H H 1 7.654 . . 1 . . . . 164 L H . 15541 2 230 . 2 1 164 164 LEU N N 15 121.789 . . 1 . . . . 164 L N . 15541 2 231 . 2 1 165 165 GLU H H 1 7.989 . . 1 . . . . 165 E H . 15541 2 232 . 2 1 165 165 GLU N N 15 120.867 . . 1 . . . . 165 E N . 15541 2 233 . 2 1 166 166 GLU H H 1 7.515 . . 1 . . . . 166 E H . 15541 2 234 . 2 1 166 166 GLU N N 15 116.842 . . 1 . . . . 166 E N . 15541 2 235 . 2 1 167 167 LYS H H 1 7.551 . . 1 . . . . 167 K H . 15541 2 236 . 2 1 167 167 LYS N N 15 118.859 . . 1 . . . . 167 K N . 15541 2 237 . 2 1 168 168 LEU H H 1 8.059 . . 5 . . . . 168 L H . 15541 2 238 . 2 1 168 168 LEU N N 15 119.300 . . 5 . . . . 168 L N . 15541 2 239 . 2 1 169 169 LEU H H 1 7.610 . . 1 . . . . 169 L H . 15541 2 240 . 2 1 169 169 LEU N N 15 118.780 . . 1 . . . . 169 L N . 15541 2 241 . 2 1 170 170 ASP H H 1 7.621 . . 1 . . . . 170 D H . 15541 2 242 . 2 1 170 170 ASP N N 15 120.769 . . 1 . . . . 170 D N . 15541 2 243 . 2 1 171 171 PHE H H 1 7.492 . . 1 . . . . 171 F H . 15541 2 244 . 2 1 171 171 PHE N N 15 125.796 . . 1 . . . . 171 F N . 15541 2 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 15541 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details 'one-bond backbone H-N couplings' _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 10 '3D HN-coupled HNCO' . . . 15541 1 11 '3D HN-coupled HNCO' . . . 15541 1 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 1 $NMRPipe . . 15541 1 5 $xwinnmr . . 15541 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DNH . 2 1 3 3 TYR H H 1 . . 2 1 3 3 TYR N N 15 . -2.254 . . . . . . . . . . . . . . 15541 1 2 DNH . 2 1 4 4 PHE H H 1 . . 2 1 4 4 PHE N N 15 . -7.052 . . . . . . . . . . . . . . 15541 1 3 DNH . 2 1 5 5 THR H H 1 . . 2 1 5 5 THR N N 15 . -10.963 . . . . . . . . . . . . . . 15541 1 4 DNH . 2 1 6 6 LEU H H 1 . . 2 1 6 6 LEU N N 15 . -1.585 . . . . . . . . . . . . . . 15541 1 5 DNH . 2 1 7 7 PHE H H 1 . . 2 1 7 7 PHE N N 15 . 5.717 . . . . . . . . . . . . . . 15541 1 6 DNH . 2 1 8 8 GLY H H 1 . . 2 1 8 8 GLY N N 15 . -21.359 . . . . . . . . . . . . . . 15541 1 7 DNH . 2 1 9 9 LEU H H 1 . . 2 1 9 9 LEU N N 15 . -22.275 . . . . . . . . . . . . . . 15541 1 8 DNH . 2 1 12 12 ARG H H 1 . . 2 1 12 12 ARG N N 15 . 4.457 . . . . . . . . . . . . . . 15541 1 9 DNH . 2 1 13 13 TYR H H 1 . . 2 1 13 13 TYR N N 15 . 4.684 . . . . . . . . . . . . . . 15541 1 10 DNH . 2 1 14 14 GLN H H 1 . . 2 1 14 14 GLN N N 15 . 7.179 . . . . . . . . . . . . . . 15541 1 11 DNH . 2 1 15 15 LEU H H 1 . . 2 1 15 15 LEU N N 15 . 12.546 . . . . . . . . . . . . . . 15541 1 12 DNH . 2 1 19 19 ALA H H 1 . . 2 1 19 19 ALA N N 15 . 4.025 . . . . . . . . . . . . . . 15541 1 13 DNH . 2 1 20 20 LEU H H 1 . . 2 1 20 20 LEU N N 15 . 8.018 . . . . . . . . . . . . . . 15541 1 14 DNH . 2 1 21 21 SER H H 1 . . 2 1 21 21 SER N N 15 . -2.000 . . . . . . . . . . . . . . 15541 1 15 DNH . 2 1 22 22 LEU H H 1 . . 2 1 22 22 LEU N N 15 . -2.692 . . . . . . . . . . . . . . 15541 1 16 DNH . 2 1 23 23 ARG H H 1 . . 2 1 23 23 ARG N N 15 . 7.413 . . . . . . . . . . . . . . 15541 1 17 DNH . 2 1 24 24 PHE H H 1 . . 2 1 24 24 PHE N N 15 . 3.800 . . . . . . . . . . . . . . 15541 1 18 DNH . 2 1 25 25 GLN H H 1 . . 2 1 25 25 GLN N N 15 . -7.255 . . . . . . . . . . . . . . 15541 1 19 DNH . 2 1 26 26 ASP H H 1 . . 2 1 26 26 ASP N N 15 . 1.486 . . . . . . . . . . . . . . 15541 1 20 DNH . 2 1 27 27 LEU H H 1 . . 2 1 27 27 LEU N N 15 . 9.307 . . . . . . . . . . . . . . 15541 1 21 DNH . 2 1 28 28 GLN H H 1 . . 2 1 28 28 GLN N N 15 . -3.810 . . . . . . . . . . . . . . 15541 1 22 DNH . 2 1 29 29 ARG H H 1 . . 2 1 29 29 ARG N N 15 . -9.279 . . . . . . . . . . . . . . 15541 1 23 DNH . 2 1 30 30 GLN H H 1 . . 2 1 30 30 GLN N N 15 . 5.377 . . . . . . . . . . . . . . 15541 1 24 DNH . 2 1 31 31 TYR H H 1 . . 2 1 31 31 TYR N N 15 . 5.419 . . . . . . . . . . . . . . 15541 1 25 DNH . 2 1 32 32 HIS H H 1 . . 2 1 32 32 HIS N N 15 . -15.136 . . . . . . . . . . . . . . 15541 1 26 DNH . 2 1 34 34 ASP H H 1 . . 2 1 34 34 ASP N N 15 . 1.314 . . . . . . . . . . . . . . 15541 1 27 DNH . 2 1 35 35 LYS H H 1 . . 2 1 35 35 LYS N N 15 . 11.218 . . . . . . . . . . . . . . 15541 1 28 DNH . 2 1 36 36 PHE H H 1 . . 2 1 36 36 PHE N N 15 . 14.637 . . . . . . . . . . . . . . 15541 1 29 DNH . 2 1 37 37 ALA H H 1 . . 2 1 37 37 ALA N N 15 . -13.183 . . . . . . . . . . . . . . 15541 1 30 DNH . 2 1 40 40 SER H H 1 . . 2 1 40 40 SER N N 15 . 1.157 . . . . . . . . . . . . . . 15541 1 31 DNH . 2 1 43 43 GLU H H 1 . . 2 1 43 43 GLU N N 15 . 8.262 . . . . . . . . . . . . . . 15541 1 32 DNH . 2 1 45 45 LEU H H 1 . . 2 1 45 45 LEU N N 15 . 4.209 . . . . . . . . . . . . . . 15541 1 33 DNH . 2 1 46 46 ALA H H 1 . . 2 1 46 46 ALA N N 15 . 12.949 . . . . . . . . . . . . . . 15541 1 34 DNH . 2 1 47 47 ALA H H 1 . . 2 1 47 47 ALA N N 15 . 5.652 . . . . . . . . . . . . . . 15541 1 35 DNH . 2 1 48 48 VAL H H 1 . . 2 1 48 48 VAL N N 15 . -1.858 . . . . . . . . . . . . . . 15541 1 36 DNH . 2 1 49 49 GLN H H 1 . . 2 1 49 49 GLN N N 15 . 11.326 . . . . . . . . . . . . . . 15541 1 37 DNH . 2 1 50 50 GLN H H 1 . . 2 1 50 50 GLN N N 15 . 9.984 . . . . . . . . . . . . . . 15541 1 38 DNH . 2 1 51 51 SER H H 1 . . 2 1 51 51 SER N N 15 . 1.300 . . . . . . . . . . . . . . 15541 1 39 DNH . 2 1 52 52 ALA H H 1 . . 2 1 52 52 ALA N N 15 . -0.261 . . . . . . . . . . . . . . 15541 1 40 DNH . 2 1 53 53 THR H H 1 . . 2 1 53 53 THR N N 15 . 11.649 . . . . . . . . . . . . . . 15541 1 41 DNH . 2 1 54 54 ILE H H 1 . . 2 1 54 54 ILE N N 15 . 7.286 . . . . . . . . . . . . . . 15541 1 42 DNH . 2 1 55 55 ASN H H 1 . . 2 1 55 55 ASN N N 15 . -4.546 . . . . . . . . . . . . . . 15541 1 43 DNH . 2 1 56 56 GLN H H 1 . . 2 1 56 56 GLN N N 15 . 5.110 . . . . . . . . . . . . . . 15541 1 44 DNH . 2 1 58 58 TRP H H 1 . . 2 1 58 58 TRP N N 15 . 3.036 . . . . . . . . . . . . . . 15541 1 45 DNH . 2 1 59 59 GLN H H 1 . . 2 1 59 59 GLN N N 15 . -3.545 . . . . . . . . . . . . . . 15541 1 46 DNH . 2 1 60 60 THR H H 1 . . 2 1 60 60 THR N N 15 . 11.606 . . . . . . . . . . . . . . 15541 1 47 DNH . 2 1 61 61 LEU H H 1 . . 2 1 61 61 LEU N N 15 . 8.917 . . . . . . . . . . . . . . 15541 1 48 DNH . 2 1 62 62 ARG H H 1 . . 2 1 62 62 ARG N N 15 . -6.730 . . . . . . . . . . . . . . 15541 1 49 DNH . 2 1 63 63 HIS H H 1 . . 2 1 63 63 HIS N N 15 . -4.801 . . . . . . . . . . . . . . 15541 1 50 DNH . 2 1 69 69 GLU H H 1 . . 2 1 69 69 GLU N N 15 . 8.015 . . . . . . . . . . . . . . 15541 1 51 DNH . 2 1 70 70 TYR H H 1 . . 2 1 70 70 TYR N N 15 . -2.496 . . . . . . . . . . . . . . 15541 1 52 DNH . 2 1 71 71 LEU H H 1 . . 2 1 71 71 LEU N N 15 . 3.017 . . . . . . . . . . . . . . 15541 1 53 DNH . 2 1 72 72 LEU H H 1 . . 2 1 72 72 LEU N N 15 . 12.901 . . . . . . . . . . . . . . 15541 1 54 DNH . 2 1 73 73 SER H H 1 . . 2 1 73 73 SER N N 15 . 0.625 . . . . . . . . . . . . . . 15541 1 55 DNH . 2 1 74 74 LEU H H 1 . . 2 1 74 74 LEU N N 15 . -7.221 . . . . . . . . . . . . . . 15541 1 56 DNH . 2 1 75 75 HIS H H 1 . . 2 1 75 75 HIS N N 15 . 15.868 . . . . . . . . . . . . . . 15541 1 57 DNH . 2 1 76 76 GLY H H 1 . . 2 1 76 76 GLY N N 15 . 6.652 . . . . . . . . . . . . . . 15541 1 58 DNH . 2 1 77 77 PHE H H 1 . . 2 1 77 77 PHE N N 15 . -13.278 . . . . . . . . . . . . . . 15541 1 59 DNH . 2 1 79 79 LEU H H 1 . . 2 1 79 79 LEU N N 15 . -1.478 . . . . . . . . . . . . . . 15541 1 60 DNH . 2 1 80 80 ALA H H 1 . . 2 1 80 80 ALA N N 15 . 13.512 . . . . . . . . . . . . . . 15541 1 61 DNH . 2 1 81 81 SER H H 1 . . 2 1 81 81 SER N N 15 . -0.301 . . . . . . . . . . . . . . 15541 1 62 DNH . 2 1 85 85 THR H H 1 . . 2 1 85 85 THR N N 15 . -1.775 . . . . . . . . . . . . . . 15541 1 63 DNH . 2 1 86 86 VAL H H 1 . . 2 1 86 86 VAL N N 15 . 2.386 . . . . . . . . . . . . . . 15541 1 64 DNH . 2 1 91 91 PHE H H 1 . . 2 1 91 91 PHE N N 15 . 8.429 . . . . . . . . . . . . . . 15541 1 65 DNH . 2 1 92 92 LEU H H 1 . . 2 1 92 92 LEU N N 15 . 6.385 . . . . . . . . . . . . . . 15541 1 66 DNH . 2 1 93 93 MET H H 1 . . 2 1 93 93 MET N N 15 . 7.815 . . . . . . . . . . . . . . 15541 1 67 DNH . 2 1 94 94 GLU H H 1 . . 2 1 94 94 GLU N N 15 . 16.206 . . . . . . . . . . . . . . 15541 1 68 DNH . 2 1 95 95 GLN H H 1 . . 2 1 95 95 GLN N N 15 . 7.411 . . . . . . . . . . . . . . 15541 1 69 DNH . 2 1 96 96 LEU H H 1 . . 2 1 96 96 LEU N N 15 . 11.324 . . . . . . . . . . . . . . 15541 1 70 DNH . 2 1 97 97 GLU H H 1 . . 2 1 97 97 GLU N N 15 . 11.464 . . . . . . . . . . . . . . 15541 1 71 DNH . 2 1 98 98 LEU H H 1 . . 2 1 98 98 LEU N N 15 . 14.130 . . . . . . . . . . . . . . 15541 1 72 DNH . 2 1 99 99 ARG H H 1 . . 2 1 99 99 ARG N N 15 . 6.271 . . . . . . . . . . . . . . 15541 1 73 DNH . 2 1 100 100 GLU H H 1 . . 2 1 100 100 GLU N N 15 . 7.912 . . . . . . . . . . . . . . 15541 1 74 DNH . 2 1 101 101 GLU H H 1 . . 2 1 101 101 GLU N N 15 . 17.837 . . . . . . . . . . . . . . 15541 1 75 DNH . 2 1 102 102 LEU H H 1 . . 2 1 102 102 LEU N N 15 . 12.545 . . . . . . . . . . . . . . 15541 1 76 DNH . 2 1 103 103 ASP H H 1 . . 2 1 103 103 ASP N N 15 . 7.994 . . . . . . . . . . . . . . 15541 1 77 DNH . 2 1 104 104 GLU H H 1 . . 2 1 104 104 GLU N N 15 . 9.585 . . . . . . . . . . . . . . 15541 1 78 DNH . 2 1 105 105 ILE H H 1 . . 2 1 105 105 ILE N N 15 . 15.755 . . . . . . . . . . . . . . 15541 1 79 DNH . 2 1 106 106 GLU H H 1 . . 2 1 106 106 GLU N N 15 . 8.681 . . . . . . . . . . . . . . 15541 1 80 DNH . 2 1 107 107 GLN H H 1 . . 2 1 107 107 GLN N N 15 . 7.588 . . . . . . . . . . . . . . 15541 1 81 DNH . 2 1 108 108 ALA H H 1 . . 2 1 108 108 ALA C C 13 . 13.685 . . . . . . . . . . . . . . 15541 1 82 DNH . 2 1 109 109 LYS H H 1 . . 2 1 109 109 LYS C C 13 . -0.686 . . . . . . . . . . . . . . 15541 1 83 DNH . 2 1 110 110 ASP H H 1 . . 2 1 110 110 ASP C C 13 . -5.122 . . . . . . . . . . . . . . 15541 1 84 DNH . 2 1 111 111 GLU H H 1 . . 2 1 111 111 GLU C C 13 . 14.594 . . . . . . . . . . . . . . 15541 1 85 DNH . 2 1 112 112 ALA H H 1 . . 2 1 112 112 ALA C C 13 . 14.355 . . . . . . . . . . . . . . 15541 1 86 DNH . 2 1 113 113 ARG H H 1 . . 2 1 113 113 ARG C C 13 . 7.335 . . . . . . . . . . . . . . 15541 1 87 DNH . 2 1 114 114 LEU H H 1 . . 2 1 114 114 LEU C C 13 . 13.326 . . . . . . . . . . . . . . 15541 1 88 DNH . 2 1 115 115 GLU H H 1 . . 2 1 115 115 GLU C C 13 . 16.948 . . . . . . . . . . . . . . 15541 1 89 DNH . 2 1 116 116 SER H H 1 . . 2 1 116 116 SER C C 13 . 16.285 . . . . . . . . . . . . . . 15541 1 90 DNH . 2 1 117 117 PHE H H 1 . . 2 1 117 117 PHE C C 13 . 12.739 . . . . . . . . . . . . . . 15541 1 91 DNH . 2 1 118 118 ILE H H 1 . . 2 1 118 118 ILE C C 13 . 15.099 . . . . . . . . . . . . . . 15541 1 92 DNH . 2 1 120 120 ARG H H 1 . . 2 1 120 120 ARG C C 13 . 11.958 . . . . . . . . . . . . . . 15541 1 93 DNH . 2 1 121 121 VAL H H 1 . . 2 1 121 121 VAL C C 13 . 13.714 . . . . . . . . . . . . . . 15541 1 94 DNH . 2 1 122 122 LYS H H 1 . . 2 1 122 122 LYS C C 13 . 14.396 . . . . . . . . . . . . . . 15541 1 95 DNH . 2 1 123 123 LYS H H 1 . . 2 1 123 123 LYS C C 13 . 19.554 . . . . . . . . . . . . . . 15541 1 96 DNH . 2 1 124 124 MET H H 1 . . 2 1 124 124 MET C C 13 . 13.974 . . . . . . . . . . . . . . 15541 1 97 DNH . 2 1 125 125 PHE H H 1 . . 2 1 125 125 PHE C C 13 . 13.441 . . . . . . . . . . . . . . 15541 1 98 DNH . 2 1 126 126 ASP H H 1 . . 2 1 126 126 ASP C C 13 . 16.828 . . . . . . . . . . . . . . 15541 1 99 DNH . 2 1 127 127 THR H H 1 . . 2 1 127 127 THR C C 13 . 16.137 . . . . . . . . . . . . . . 15541 1 100 DNH . 2 1 128 128 ARG H H 1 . . 2 1 128 128 ARG C C 13 . 12.998 . . . . . . . . . . . . . . 15541 1 101 DNH . 2 1 129 129 HIS H H 1 . . 2 1 129 129 HIS C C 13 . 16.499 . . . . . . . . . . . . . . 15541 1 102 DNH . 2 1 130 130 GLN H H 1 . . 2 1 130 130 GLN C C 13 . 19.931 . . . . . . . . . . . . . . 15541 1 103 DNH . 2 1 131 131 LEU H H 1 . . 2 1 131 131 LEU C C 13 . 16.894 . . . . . . . . . . . . . . 15541 1 104 DNH . 2 1 132 132 MET H H 1 . . 2 1 132 132 MET C C 13 . 16.102 . . . . . . . . . . . . . . 15541 1 105 DNH . 2 1 133 133 VAL H H 1 . . 2 1 133 133 VAL C C 13 . 14.901 . . . . . . . . . . . . . . 15541 1 106 DNH . 2 1 134 134 GLU H H 1 . . 2 1 134 134 GLU C C 13 . 20.443 . . . . . . . . . . . . . . 15541 1 107 DNH . 2 1 135 135 GLN H H 1 . . 2 1 135 135 GLN C C 13 . 17.628 . . . . . . . . . . . . . . 15541 1 108 DNH . 2 1 136 136 LEU H H 1 . . 2 1 136 136 LEU C C 13 . 11.484 . . . . . . . . . . . . . . 15541 1 109 DNH . 2 1 137 137 ASP H H 1 . . 2 1 137 137 ASP C C 13 . 17.461 . . . . . . . . . . . . . . 15541 1 110 DNH . 2 1 138 138 ASN H H 1 . . 2 1 138 138 ASN C C 13 . 17.469 . . . . . . . . . . . . . . 15541 1 111 DNH . 2 1 139 139 GLU H H 1 . . 2 1 139 139 GLU C C 13 . 4.143 . . . . . . . . . . . . . . 15541 1 112 DNH . 2 1 140 140 THR H H 1 . . 2 1 140 140 THR C C 13 . -6.321 . . . . . . . . . . . . . . 15541 1 113 DNH . 2 1 141 141 TRP H H 1 . . 2 1 141 141 TRP C C 13 . 18.110 . . . . . . . . . . . . . . 15541 1 114 DNH . 2 1 142 142 ASP H H 1 . . 2 1 142 142 ASP C C 13 . 8.627 . . . . . . . . . . . . . . 15541 1 115 DNH . 2 1 143 143 ALA H H 1 . . 2 1 143 143 ALA C C 13 . 9.556 . . . . . . . . . . . . . . 15541 1 116 DNH . 2 1 144 144 ALA H H 1 . . 2 1 144 144 ALA C C 13 . 18.324 . . . . . . . . . . . . . . 15541 1 117 DNH . 2 1 145 145 ALA H H 1 . . 2 1 145 145 ALA C C 13 . 13.111 . . . . . . . . . . . . . . 15541 1 118 DNH . 2 1 146 146 ASP H H 1 . . 2 1 146 146 ASP C C 13 . 5.432 . . . . . . . . . . . . . . 15541 1 119 DNH . 2 1 147 147 THR H H 1 . . 2 1 147 147 THR C C 13 . 12.760 . . . . . . . . . . . . . . 15541 1 120 DNH . 2 1 148 148 VAL H H 1 . . 2 1 148 148 VAL C C 13 . 15.666 . . . . . . . . . . . . . . 15541 1 121 DNH . 2 1 149 149 ARG H H 1 . . 2 1 149 149 ARG C C 13 . 11.086 . . . . . . . . . . . . . . 15541 1 122 DNH . 2 1 150 150 LYS H H 1 . . 2 1 150 150 LYS C C 13 . 8.577 . . . . . . . . . . . . . . 15541 1 123 DNH . 2 1 151 151 LEU H H 1 . . 2 1 151 151 LEU C C 13 . 14.551 . . . . . . . . . . . . . . 15541 1 124 DNH . 2 1 152 152 ARG H H 1 . . 2 1 152 152 ARG C C 13 . 9.362 . . . . . . . . . . . . . . 15541 1 125 DNH . 2 1 153 153 PHE H H 1 . . 2 1 153 153 PHE C C 13 . 8.633 . . . . . . . . . . . . . . 15541 1 126 DNH . 2 1 154 154 LEU H H 1 . . 2 1 154 154 LEU C C 13 . 13.150 . . . . . . . . . . . . . . 15541 1 127 DNH . 2 1 155 155 ASP H H 1 . . 2 1 155 155 ASP C C 13 . 11.273 . . . . . . . . . . . . . . 15541 1 128 DNH . 2 1 156 156 LYS H H 1 . . 2 1 156 156 LYS C C 13 . 4.906 . . . . . . . . . . . . . . 15541 1 129 DNH . 2 1 157 157 LEU H H 1 . . 2 1 157 157 LEU C C 13 . 10.959 . . . . . . . . . . . . . . 15541 1 130 DNH . 2 1 158 158 ARG H H 1 . . 2 1 158 158 ARG C C 13 . 16.453 . . . . . . . . . . . . . . 15541 1 131 DNH . 2 1 159 159 SER H H 1 . . 2 1 159 159 SER C C 13 . 9.584 . . . . . . . . . . . . . . 15541 1 132 DNH . 2 1 160 160 SER H H 1 . . 2 1 160 160 SER C C 13 . 7.971 . . . . . . . . . . . . . . 15541 1 133 DNH . 2 1 161 161 ALA H H 1 . . 2 1 161 161 ALA C C 13 . 12.292 . . . . . . . . . . . . . . 15541 1 134 DNH . 2 1 162 162 GLU H H 1 . . 2 1 162 162 GLU C C 13 . 13.313 . . . . . . . . . . . . . . 15541 1 135 DNH . 2 1 163 163 GLN H H 1 . . 2 1 163 163 GLN C C 13 . 4.864 . . . . . . . . . . . . . . 15541 1 136 DNH . 2 1 164 164 LEU H H 1 . . 2 1 164 164 LEU C C 13 . 9.343 . . . . . . . . . . . . . . 15541 1 137 DNH . 2 1 165 165 GLU H H 1 . . 2 1 165 165 GLU C C 13 . 15.280 . . . . . . . . . . . . . . 15541 1 138 DNH . 2 1 166 166 GLU H H 1 . . 2 1 166 166 GLU C C 13 . 8.246 . . . . . . . . . . . . . . 15541 1 139 DNH . 2 1 167 167 LYS H H 1 . . 2 1 167 167 LYS C C 13 . 7.074 . . . . . . . . . . . . . . 15541 1 140 DNH . 2 1 168 168 LEU H H 1 . . 2 1 168 168 LEU C C 13 . 9.289 . . . . . . . . . . . . . . 15541 1 141 DNH . 2 1 169 169 LEU H H 1 . . 2 1 169 169 LEU C C 13 . 10.784 . . . . . . . . . . . . . . 15541 1 142 DNH . 2 1 170 170 ASP H H 1 . . 2 1 170 170 ASP C C 13 . -1.210 . . . . . . . . . . . . . . 15541 1 143 DNH . 2 1 171 171 PHE H H 1 . . 2 1 171 171 PHE C C 13 . -2.017 . . . . . . . . . . . . . . 15541 1 stop_ save_ save_RDC_list_2 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_2 _RDC_list.Entry_ID 15541 _RDC_list.ID 2 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details 'one-bond Halpha-Calpha couplings' _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 12 '3D HA-coupled HN(CO)CA' . . . 15541 2 13 '3D HA-coupled HN(CO)CA' . . . 15541 2 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 1 $NMRPipe . . 15541 2 5 $xwinnmr . . 15541 2 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DHACA . 2 1 2 2 ASP HA H 1 . . 2 1 2 2 ASP CA C 13 . -17.470 . . . . . . . . . . . . . . 15541 2 2 DHACA . 2 1 3 3 TYR HA H 1 . . 2 1 3 3 TYR CA C 13 . 20.687 . . . . . . . . . . . . . . 15541 2 3 DHACA . 2 1 4 4 PHE HA H 1 . . 2 1 4 4 PHE CA C 13 . -4.802 . . . . . . . . . . . . . . 15541 2 4 DHACA . 2 1 6 6 LEU HA H 1 . . 2 1 6 6 LEU CA C 13 . 32.065 . . . . . . . . . . . . . . 15541 2 5 DHACA . 2 1 7 7 PHE HA H 1 . . 2 1 7 7 PHE CA C 13 . 15.974 . . . . . . . . . . . . . . 15541 2 6 DHACA . 2 1 10 10 PRO HA H 1 . . 2 1 10 10 PRO CA C 13 . 12.821 . . . . . . . . . . . . . . 15541 2 7 DHACA . 2 1 11 11 ALA HA H 1 . . 2 1 11 11 ALA CA C 13 . 16.277 . . . . . . . . . . . . . . 15541 2 8 DHACA . 2 1 13 13 TYR HA H 1 . . 2 1 13 13 TYR CA C 13 . -26.159 . . . . . . . . . . . . . . 15541 2 9 DHACA . 2 1 14 14 GLN HA H 1 . . 2 1 14 14 GLN CA C 13 . 32.448 . . . . . . . . . . . . . . 15541 2 10 DHACA . 2 1 18 18 GLN HA H 1 . . 2 1 18 18 GLN CA C 13 . 2.722 . . . . . . . . . . . . . . 15541 2 11 DHACA . 2 1 19 19 ALA HA H 1 . . 2 1 19 19 ALA CA C 13 . 4.872 . . . . . . . . . . . . . . 15541 2 12 DHACA . 2 1 20 20 LEU HA H 1 . . 2 1 20 20 LEU CA C 13 . 26.719 . . . . . . . . . . . . . . 15541 2 13 DHACA . 2 1 21 21 SER HA H 1 . . 2 1 21 21 SER CA C 13 . -44.707 . . . . . . . . . . . . . . 15541 2 14 DHACA . 2 1 22 22 LEU HA H 1 . . 2 1 22 22 LEU CA C 13 . 11.892 . . . . . . . . . . . . . . 15541 2 15 DHACA . 2 1 23 23 ARG HA H 1 . . 2 1 23 23 ARG CA C 13 . 24.648 . . . . . . . . . . . . . . 15541 2 16 DHACA . 2 1 24 24 PHE HA H 1 . . 2 1 24 24 PHE CA C 13 . -19.949 . . . . . . . . . . . . . . 15541 2 17 DHACA . 2 1 25 25 GLN HA H 1 . . 2 1 25 25 GLN CA C 13 . -19.401 . . . . . . . . . . . . . . 15541 2 18 DHACA . 2 1 26 26 ASP HA H 1 . . 2 1 26 26 ASP CA C 13 . 6.664 . . . . . . . . . . . . . . 15541 2 19 DHACA . 2 1 27 27 LEU HA H 1 . . 2 1 27 27 LEU CA C 13 . 42.142 . . . . . . . . . . . . . . 15541 2 20 DHACA . 2 1 28 28 GLN HA H 1 . . 2 1 28 28 GLN CA C 13 . -45.170 . . . . . . . . . . . . . . 15541 2 21 DHACA . 2 1 29 29 ARG HA H 1 . . 2 1 29 29 ARG CA C 13 . 3.870 . . . . . . . . . . . . . . 15541 2 22 DHACA . 2 1 30 30 GLN HA H 1 . . 2 1 30 30 GLN CA C 13 . 13.185 . . . . . . . . . . . . . . 15541 2 23 DHACA . 2 1 31 31 TYR HA H 1 . . 2 1 31 31 TYR CA C 13 . 24.464 . . . . . . . . . . . . . . 15541 2 24 DHACA . 2 1 34 34 ASP HA H 1 . . 2 1 34 34 ASP CA C 13 . -19.508 . . . . . . . . . . . . . . 15541 2 25 DHACA . 2 1 35 35 LYS HA H 1 . . 2 1 35 35 LYS CA C 13 . -0.988 . . . . . . . . . . . . . . 15541 2 26 DHACA . 2 1 36 36 PHE HA H 1 . . 2 1 36 36 PHE CA C 13 . 24.323 . . . . . . . . . . . . . . 15541 2 27 DHACA . 2 1 38 38 SER HA H 1 . . 2 1 38 38 SER CA C 13 . -8.128 . . . . . . . . . . . . . . 15541 2 28 DHACA . 2 1 43 43 GLU HA H 1 . . 2 1 43 43 GLU CA C 13 . 7.547 . . . . . . . . . . . . . . 15541 2 29 DHACA . 2 1 44 44 GLN HA H 1 . . 2 1 44 44 GLN CA C 13 . -42.309 . . . . . . . . . . . . . . 15541 2 30 DHACA . 2 1 45 45 LEU HA H 1 . . 2 1 45 45 LEU CA C 13 . 29.956 . . . . . . . . . . . . . . 15541 2 31 DHACA . 2 1 46 46 ALA HA H 1 . . 2 1 46 46 ALA CA C 13 . 3.403 . . . . . . . . . . . . . . 15541 2 32 DHACA . 2 1 47 47 ALA HA H 1 . . 2 1 47 47 ALA CA C 13 . -10.639 . . . . . . . . . . . . . . 15541 2 33 DHACA . 2 1 48 48 VAL HA H 1 . . 2 1 48 48 VAL CA C 13 . -18.155 . . . . . . . . . . . . . . 15541 2 34 DHACA . 2 1 49 49 GLN HA H 1 . . 2 1 49 49 GLN CA C 13 . 28.901 . . . . . . . . . . . . . . 15541 2 35 DHACA . 2 1 50 50 GLN HA H 1 . . 2 1 50 50 GLN CA C 13 . 9.375 . . . . . . . . . . . . . . 15541 2 36 DHACA . 2 1 52 52 ALA HA H 1 . . 2 1 52 52 ALA CA C 13 . 19.259 . . . . . . . . . . . . . . 15541 2 37 DHACA . 2 1 53 53 THR HA H 1 . . 2 1 53 53 THR CA C 13 . 13.567 . . . . . . . . . . . . . . 15541 2 38 DHACA . 2 1 55 55 ASN HA H 1 . . 2 1 55 55 ASN CA C 13 . -49.664 . . . . . . . . . . . . . . 15541 2 39 DHACA . 2 1 56 56 GLN HA H 1 . . 2 1 56 56 GLN CA C 13 . 38.875 . . . . . . . . . . . . . . 15541 2 40 DHACA . 2 1 57 57 ALA HA H 1 . . 2 1 57 57 ALA CA C 13 . 6.296 . . . . . . . . . . . . . . 15541 2 41 DHACA . 2 1 58 58 TRP HA H 1 . . 2 1 58 58 TRP CA C 13 . -22.945 . . . . . . . . . . . . . . 15541 2 42 DHACA . 2 1 59 59 GLN HA H 1 . . 2 1 59 59 GLN CA C 13 . -16.704 . . . . . . . . . . . . . . 15541 2 43 DHACA . 2 1 60 60 THR HA H 1 . . 2 1 60 60 THR CA C 13 . 26.843 . . . . . . . . . . . . . . 15541 2 44 DHACA . 2 1 61 61 LEU HA H 1 . . 2 1 61 61 LEU CA C 13 . 4.790 . . . . . . . . . . . . . . 15541 2 45 DHACA . 2 1 62 62 ARG HA H 1 . . 2 1 62 62 ARG CA C 13 . -36.329 . . . . . . . . . . . . . . 15541 2 46 DHACA . 2 1 68 68 ALA HA H 1 . . 2 1 68 68 ALA CA C 13 . 12.730 . . . . . . . . . . . . . . 15541 2 47 DHACA . 2 1 69 69 GLU HA H 1 . . 2 1 69 69 GLU CA C 13 . 5.309 . . . . . . . . . . . . . . 15541 2 48 DHACA . 2 1 70 70 TYR HA H 1 . . 2 1 70 70 TYR CA C 13 . -49.099 . . . . . . . . . . . . . . 15541 2 49 DHACA . 2 1 71 71 LEU HA H 1 . . 2 1 71 71 LEU CA C 13 . 38.341 . . . . . . . . . . . . . . 15541 2 50 DHACA . 2 1 73 73 SER HA H 1 . . 2 1 73 73 SER CA C 13 . -26.938 . . . . . . . . . . . . . . 15541 2 51 DHACA . 2 1 74 74 LEU HA H 1 . . 2 1 74 74 LEU CA C 13 . -17.598 . . . . . . . . . . . . . . 15541 2 52 DHACA . 2 1 75 75 HIS HA H 1 . . 2 1 75 75 HIS CA C 13 . 38.658 . . . . . . . . . . . . . . 15541 2 53 DHACA . 2 1 77 77 PHE HA H 1 . . 2 1 77 77 PHE CA C 13 . -17.580 . . . . . . . . . . . . . . 15541 2 54 DHACA . 2 1 78 78 ASP HA H 1 . . 2 1 78 78 ASP CA C 13 . -6.406 . . . . . . . . . . . . . . 15541 2 55 DHACA . 2 1 79 79 LEU HA H 1 . . 2 1 79 79 LEU CA C 13 . 3.076 . . . . . . . . . . . . . . 15541 2 56 DHACA . 2 1 80 80 ALA HA H 1 . . 2 1 80 80 ALA CA C 13 . 20.256 . . . . . . . . . . . . . . 15541 2 57 DHACA . 2 1 81 81 SER HA H 1 . . 2 1 81 81 SER CA C 13 . -10.031 . . . . . . . . . . . . . . 15541 2 58 DHACA . 2 1 82 82 GLU HA H 1 . . 2 1 82 82 GLU CA C 13 . -11.902 . . . . . . . . . . . . . . 15541 2 59 DHACA . 2 1 84 84 HIS HA H 1 . . 2 1 84 84 HIS CA C 13 . -1.505 . . . . . . . . . . . . . . 15541 2 60 DHACA . 2 1 85 85 THR HA H 1 . . 2 1 85 85 THR CA C 13 . 1.720 . . . . . . . . . . . . . . 15541 2 61 DHACA . 2 1 92 92 LEU HA H 1 . . 2 1 92 92 LEU CA C 13 . 9.086 . . . . . . . . . . . . . . 15541 2 62 DHACA . 2 1 93 93 MET HA H 1 . . 2 1 93 93 MET CA C 13 . -15.137 . . . . . . . . . . . . . . 15541 2 63 DHACA . 2 1 94 94 GLU HA H 1 . . 2 1 94 94 GLU CA C 13 . 26.078 . . . . . . . . . . . . . . 15541 2 64 DHACA . 2 1 95 95 GLN HA H 1 . . 2 1 95 95 GLN CA C 13 . -23.762 . . . . . . . . . . . . . . 15541 2 65 DHACA . 2 1 97 97 GLU HA H 1 . . 2 1 97 97 GLU CA C 13 . 21.828 . . . . . . . . . . . . . . 15541 2 66 DHACA . 2 1 98 98 LEU HA H 1 . . 2 1 98 98 LEU CA C 13 . -8.043 . . . . . . . . . . . . . . 15541 2 67 DHACA . 2 1 99 99 ARG HA H 1 . . 2 1 99 99 ARG CA C 13 . -0.505 . . . . . . . . . . . . . . 15541 2 68 DHACA . 2 1 100 100 GLU HA H 1 . . 2 1 100 100 GLU CA C 13 . -22.654 . . . . . . . . . . . . . . 15541 2 69 DHACA . 2 1 103 103 ASP HA H 1 . . 2 1 103 103 ASP CA C 13 . 7.708 . . . . . . . . . . . . . . 15541 2 70 DHACA . 2 1 104 104 GLU HA H 1 . . 2 1 104 104 GLU CA C 13 . -7.947 . . . . . . . . . . . . . . 15541 2 71 DHACA . 2 1 105 105 ILE HA H 1 . . 2 1 105 105 ILE CA C 13 . 11.057 . . . . . . . . . . . . . . 15541 2 72 DHACA . 2 1 106 106 GLU HA H 1 . . 2 1 106 106 GLU CA C 13 . -11.820 . . . . . . . . . . . . . . 15541 2 73 DHACA . 2 1 107 107 GLN HA H 1 . . 2 1 107 107 GLN CA C 13 . -9.411 . . . . . . . . . . . . . . 15541 2 74 DHACA . 2 1 108 108 ALA HA H 1 . . 2 1 108 108 ALA CA C 13 . 27.422 . . . . . . . . . . . . . . 15541 2 75 DHACA . 2 1 109 109 LYS HA H 1 . . 2 1 109 109 LYS CA C 13 . 34.379 . . . . . . . . . . . . . . 15541 2 76 DHACA . 2 1 110 110 ASP HA H 1 . . 2 1 110 110 ASP CA C 13 . 17.611 . . . . . . . . . . . . . . 15541 2 77 DHACA . 2 1 111 111 GLU HA H 1 . . 2 1 111 111 GLU CA C 13 . 7.514 . . . . . . . . . . . . . . 15541 2 78 DHACA . 2 1 112 112 ALA HA H 1 . . 2 1 112 112 ALA CA C 13 . -1.492 . . . . . . . . . . . . . . 15541 2 79 DHACA . 2 1 113 113 ARG HA H 1 . . 2 1 113 113 ARG CA C 13 . -20.226 . . . . . . . . . . . . . . 15541 2 80 DHACA . 2 1 115 115 GLU HA H 1 . . 2 1 115 115 GLU CA C 13 . 27.700 . . . . . . . . . . . . . . 15541 2 81 DHACA . 2 1 116 116 SER HA H 1 . . 2 1 116 116 SER CA C 13 . -25.734 . . . . . . . . . . . . . . 15541 2 82 DHACA . 2 1 117 117 PHE HA H 1 . . 2 1 117 117 PHE CA C 13 . 9.419 . . . . . . . . . . . . . . 15541 2 83 DHACA . 2 1 118 118 ILE HA H 1 . . 2 1 118 118 ILE CA C 13 . -16.816 . . . . . . . . . . . . . . 15541 2 84 DHACA . 2 1 119 119 LYS HA H 1 . . 2 1 119 119 LYS CA C 13 . 25.739 . . . . . . . . . . . . . . 15541 2 85 DHACA . 2 1 120 120 ARG HA H 1 . . 2 1 120 120 ARG CA C 13 . -27.032 . . . . . . . . . . . . . . 15541 2 86 DHACA . 2 1 121 121 VAL HA H 1 . . 2 1 121 121 VAL CA C 13 . 4.395 . . . . . . . . . . . . . . 15541 2 87 DHACA . 2 1 122 122 LYS HA H 1 . . 2 1 122 122 LYS CA C 13 . 3.056 . . . . . . . . . . . . . . 15541 2 88 DHACA . 2 1 124 124 MET HA H 1 . . 2 1 124 124 MET CA C 13 . -0.124 . . . . . . . . . . . . . . 15541 2 89 DHACA . 2 1 125 125 PHE HA H 1 . . 2 1 125 125 PHE CA C 13 . -25.009 . . . . . . . . . . . . . . 15541 2 90 DHACA . 2 1 126 126 ASP HA H 1 . . 2 1 126 126 ASP CA C 13 . 30.648 . . . . . . . . . . . . . . 15541 2 91 DHACA . 2 1 127 127 THR HA H 1 . . 2 1 127 127 THR CA C 13 . -31.828 . . . . . . . . . . . . . . 15541 2 92 DHACA . 2 1 128 128 ARG HA H 1 . . 2 1 128 128 ARG CA C 13 . 7.846 . . . . . . . . . . . . . . 15541 2 93 DHACA . 2 1 129 129 HIS HA H 1 . . 2 1 129 129 HIS CA C 13 . -26.034 . . . . . . . . . . . . . . 15541 2 94 DHACA . 2 1 130 130 GLN HA H 1 . . 2 1 130 130 GLN CA C 13 . 21.530 . . . . . . . . . . . . . . 15541 2 95 DHACA . 2 1 132 132 MET HA H 1 . . 2 1 132 132 MET CA C 13 . -15.242 . . . . . . . . . . . . . . 15541 2 96 DHACA . 2 1 133 133 VAL HA H 1 . . 2 1 133 133 VAL CA C 13 . 4.227 . . . . . . . . . . . . . . 15541 2 97 DHACA . 2 1 134 134 GLU HA H 1 . . 2 1 134 134 GLU CA C 13 . -1.288 . . . . . . . . . . . . . . 15541 2 98 DHACA . 2 1 135 135 GLN HA H 1 . . 2 1 135 135 GLN CA C 13 . 9.301 . . . . . . . . . . . . . . 15541 2 99 DHACA . 2 1 136 136 LEU HA H 1 . . 2 1 136 136 LEU CA C 13 . -33.961 . . . . . . . . . . . . . . 15541 2 100 DHACA . 2 1 137 137 ASP HA H 1 . . 2 1 137 137 ASP CA C 13 . 27.100 . . . . . . . . . . . . . . 15541 2 101 DHACA . 2 1 138 138 ASN HA H 1 . . 2 1 138 138 ASN CA C 13 . 0.984 . . . . . . . . . . . . . . 15541 2 102 DHACA . 2 1 139 139 GLU HA H 1 . . 2 1 139 139 GLU CA C 13 . 2.857 . . . . . . . . . . . . . . 15541 2 103 DHACA . 2 1 140 140 THR HA H 1 . . 2 1 140 140 THR CA C 13 . 12.602 . . . . . . . . . . . . . . 15541 2 104 DHACA . 2 1 141 141 TRP HA H 1 . . 2 1 141 141 TRP CA C 13 . -7.306 . . . . . . . . . . . . . . 15541 2 105 DHACA . 2 1 142 142 ASP HA H 1 . . 2 1 142 142 ASP CA C 13 . -23.150 . . . . . . . . . . . . . . 15541 2 106 DHACA . 2 1 143 143 ALA HA H 1 . . 2 1 143 143 ALA CA C 13 . 4.705 . . . . . . . . . . . . . . 15541 2 107 DHACA . 2 1 144 144 ALA HA H 1 . . 2 1 144 144 ALA CA C 13 . -1.051 . . . . . . . . . . . . . . 15541 2 108 DHACA . 2 1 145 145 ALA HA H 1 . . 2 1 145 145 ALA CA C 13 . 7.256 . . . . . . . . . . . . . . 15541 2 109 DHACA . 2 1 146 146 ASP HA H 1 . . 2 1 146 146 ASP CA C 13 . -37.586 . . . . . . . . . . . . . . 15541 2 110 DHACA . 2 1 148 148 VAL HA H 1 . . 2 1 148 148 VAL CA C 13 . -21.406 . . . . . . . . . . . . . . 15541 2 111 DHACA . 2 1 149 149 ARG HA H 1 . . 2 1 149 149 ARG CA C 13 . -1.902 . . . . . . . . . . . . . . 15541 2 112 DHACA . 2 1 150 150 LYS HA H 1 . . 2 1 150 150 LYS CA C 13 . -2.526 . . . . . . . . . . . . . . 15541 2 113 DHACA . 2 1 151 151 LEU HA H 1 . . 2 1 151 151 LEU CA C 13 . 13.682 . . . . . . . . . . . . . . 15541 2 114 DHACA . 2 1 152 152 ARG HA H 1 . . 2 1 152 152 ARG CA C 13 . -1.961 . . . . . . . . . . . . . . 15541 2 115 DHACA . 2 1 153 153 PHE HA H 1 . . 2 1 153 153 PHE CA C 13 . -25.471 . . . . . . . . . . . . . . 15541 2 116 DHACA . 2 1 154 154 LEU HA H 1 . . 2 1 154 154 LEU CA C 13 . 36.431 . . . . . . . . . . . . . . 15541 2 117 DHACA . 2 1 155 155 ASP HA H 1 . . 2 1 155 155 ASP CA C 13 . -40.022 . . . . . . . . . . . . . . 15541 2 118 DHACA . 2 1 156 156 LYS HA H 1 . . 2 1 156 156 LYS CA C 13 . 11.473 . . . . . . . . . . . . . . 15541 2 119 DHACA . 2 1 157 157 LEU HA H 1 . . 2 1 157 157 LEU CA C 13 . -13.162 . . . . . . . . . . . . . . 15541 2 120 DHACA . 2 1 158 158 ARG HA H 1 . . 2 1 158 158 ARG CA C 13 . 20.198 . . . . . . . . . . . . . . 15541 2 121 DHACA . 2 1 159 159 SER HA H 1 . . 2 1 159 159 SER CA C 13 . -7.991 . . . . . . . . . . . . . . 15541 2 122 DHACA . 2 1 160 160 SER HA H 1 . . 2 1 160 160 SER CA C 13 . -6.916 . . . . . . . . . . . . . . 15541 2 123 DHACA . 2 1 161 161 ALA HA H 1 . . 2 1 161 161 ALA CA C 13 . 19.018 . . . . . . . . . . . . . . 15541 2 124 DHACA . 2 1 162 162 GLU HA H 1 . . 2 1 162 162 GLU CA C 13 . -12.903 . . . . . . . . . . . . . . 15541 2 125 DHACA . 2 1 163 163 GLN HA H 1 . . 2 1 163 163 GLN CA C 13 . 3.138 . . . . . . . . . . . . . . 15541 2 126 DHACA . 2 1 164 164 LEU HA H 1 . . 2 1 164 164 LEU CA C 13 . -19.575 . . . . . . . . . . . . . . 15541 2 127 DHACA . 2 1 165 165 GLU HA H 1 . . 2 1 165 165 GLU CA C 13 . 32.106 . . . . . . . . . . . . . . 15541 2 128 DHACA . 2 1 166 166 GLU HA H 1 . . 2 1 166 166 GLU CA C 13 . -33.027 . . . . . . . . . . . . . . 15541 2 129 DHACA . 2 1 168 168 LEU HA H 1 . . 2 1 168 168 LEU CA C 13 . -6.083 . . . . . . . . . . . . . . 15541 2 130 DHACA . 2 1 169 169 LEU HA H 1 . . 2 1 169 169 LEU CA C 13 . 8.121 . . . . . . . . . . . . . . 15541 2 131 DHACA . 2 1 170 170 ASP HA H 1 . . 2 1 170 170 ASP CA C 13 . -10.175 . . . . . . . . . . . . . . 15541 2 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_noe_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_1 _Heteronucl_NOE_list.Entry_ID 15541 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details 'Two sets of heteronuclear NOE data sets were acquired, one month apart, on the same sample and at the same magnetic field strength for the purpose of error estimation.' _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 14 '2D 1H-15N HSQC' . . . 15541 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $NMRPipe . . 15541 1 2 $SPARKY . . 15541 1 3 $VNMR . . 15541 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 . 2 1 3 3 TYR N N 15 . 2 1 3 3 TYR H H 1 0.860 . . . . . . . . . . . 15541 1 2 . 2 1 4 4 PHE N N 15 . 2 1 4 4 PHE H H 1 0.870 . . . . . . . . . . . 15541 1 3 . 2 1 5 5 THR N N 15 . 2 1 5 5 THR H H 1 0.856 . . . . . . . . . . . 15541 1 4 . 2 1 6 6 LEU N N 15 . 2 1 6 6 LEU H H 1 0.839 . . . . . . . . . . . 15541 1 5 . 2 1 7 7 PHE N N 15 . 2 1 7 7 PHE H H 1 0.866 . . . . . . . . . . . 15541 1 6 . 2 1 8 8 GLY N N 15 . 2 1 8 8 GLY H H 1 0.809 . . . . . . . . . . . 15541 1 7 . 2 1 9 9 LEU N N 15 . 2 1 9 9 LEU H H 1 0.756 . . . . . . . . . . . 15541 1 8 . 2 1 11 11 ALA N N 15 . 2 1 11 11 ALA H H 1 0.812 . . . . . . . . . . . 15541 1 9 . 2 1 13 13 TYR N N 15 . 2 1 13 13 TYR H H 1 0.782 . . . . . . . . . . . 15541 1 10 . 2 1 14 14 GLN N N 15 . 2 1 14 14 GLN H H 1 0.802 . . . . . . . . . . . 15541 1 11 . 2 1 15 15 LEU N N 15 . 2 1 15 15 LEU H H 1 0.518 . . . . . . . . . . . 15541 1 12 . 2 1 19 19 ALA N N 15 . 2 1 19 19 ALA H H 1 0.782 . . . . . . . . . . . 15541 1 13 . 2 1 21 21 SER N N 15 . 2 1 21 21 SER H H 1 0.824 . . . . . . . . . . . 15541 1 14 . 2 1 22 22 LEU N N 15 . 2 1 22 22 LEU H H 1 0.818 . . . . . . . . . . . 15541 1 15 . 2 1 24 24 PHE N N 15 . 2 1 24 24 PHE H H 1 0.805 . . . . . . . . . . . 15541 1 16 . 2 1 25 25 GLN N N 15 . 2 1 25 25 GLN H H 1 0.844 . . . . . . . . . . . 15541 1 17 . 2 1 26 26 ASP N N 15 . 2 1 26 26 ASP H H 1 0.792 . . . . . . . . . . . 15541 1 18 . 2 1 27 27 LEU N N 15 . 2 1 27 27 LEU H H 1 0.793 . . . . . . . . . . . 15541 1 19 . 2 1 28 28 GLN N N 15 . 2 1 28 28 GLN H H 1 0.738 . . . . . . . . . . . 15541 1 20 . 2 1 29 29 ARG N N 15 . 2 1 29 29 ARG H H 1 0.747 . . . . . . . . . . . 15541 1 21 . 2 1 32 32 HIS N N 15 . 2 1 32 32 HIS H H 1 0.620 . . . . . . . . . . . 15541 1 22 . 2 1 34 34 ASP N N 15 . 2 1 34 34 ASP H H 1 0.672 . . . . . . . . . . . 15541 1 23 . 2 1 35 35 LYS N N 15 . 2 1 35 35 LYS H H 1 0.559 . . . . . . . . . . . 15541 1 24 . 2 1 36 36 PHE N N 15 . 2 1 36 36 PHE H H 1 0.496 . . . . . . . . . . . 15541 1 25 . 2 1 37 37 ALA N N 15 . 2 1 37 37 ALA H H 1 0.613 . . . . . . . . . . . 15541 1 26 . 2 1 39 39 GLY N N 15 . 2 1 39 39 GLY H H 1 0.471 . . . . . . . . . . . 15541 1 27 . 2 1 40 40 SER N N 15 . 2 1 40 40 SER H H 1 0.494 . . . . . . . . . . . 15541 1 28 . 2 1 46 46 ALA N N 15 . 2 1 46 46 ALA H H 1 0.684 . . . . . . . . . . . 15541 1 29 . 2 1 47 47 ALA N N 15 . 2 1 47 47 ALA H H 1 0.716 . . . . . . . . . . . 15541 1 30 . 2 1 48 48 VAL N N 15 . 2 1 48 48 VAL H H 1 0.598 . . . . . . . . . . . 15541 1 31 . 2 1 50 50 GLN N N 15 . 2 1 50 50 GLN H H 1 0.740 . . . . . . . . . . . 15541 1 32 . 2 1 51 51 SER N N 15 . 2 1 51 51 SER H H 1 0.836 . . . . . . . . . . . 15541 1 33 . 2 1 52 52 ALA N N 15 . 2 1 52 52 ALA H H 1 0.804 . . . . . . . . . . . 15541 1 34 . 2 1 53 53 THR N N 15 . 2 1 53 53 THR H H 1 0.838 . . . . . . . . . . . 15541 1 35 . 2 1 54 54 ILE N N 15 . 2 1 54 54 ILE H H 1 0.842 . . . . . . . . . . . 15541 1 36 . 2 1 55 55 ASN N N 15 . 2 1 55 55 ASN H H 1 0.807 . . . . . . . . . . . 15541 1 37 . 2 1 56 56 GLN N N 15 . 2 1 56 56 GLN H H 1 0.744 . . . . . . . . . . . 15541 1 38 . 2 1 58 58 TRP N N 15 . 2 1 58 58 TRP H H 1 0.781 . . . . . . . . . . . 15541 1 39 . 2 1 59 59 GLN N N 15 . 2 1 59 59 GLN H H 1 0.825 . . . . . . . . . . . 15541 1 40 . 2 1 60 60 THR N N 15 . 2 1 60 60 THR H H 1 0.817 . . . . . . . . . . . 15541 1 41 . 2 1 61 61 LEU N N 15 . 2 1 61 61 LEU H H 1 0.798 . . . . . . . . . . . 15541 1 42 . 2 1 62 62 ARG N N 15 . 2 1 62 62 ARG H H 1 0.867 . . . . . . . . . . . 15541 1 43 . 2 1 69 69 GLU N N 15 . 2 1 69 69 GLU H H 1 0.850 . . . . . . . . . . . 15541 1 44 . 2 1 70 70 TYR N N 15 . 2 1 70 70 TYR H H 1 0.840 . . . . . . . . . . . 15541 1 45 . 2 1 71 71 LEU N N 15 . 2 1 71 71 LEU H H 1 0.864 . . . . . . . . . . . 15541 1 46 . 2 1 72 72 LEU N N 15 . 2 1 72 72 LEU H H 1 0.895 . . . . . . . . . . . 15541 1 47 . 2 1 74 74 LEU N N 15 . 2 1 74 74 LEU H H 1 0.832 . . . . . . . . . . . 15541 1 48 . 2 1 75 75 HIS N N 15 . 2 1 75 75 HIS H H 1 0.845 . . . . . . . . . . . 15541 1 49 . 2 1 76 76 GLY N N 15 . 2 1 76 76 GLY H H 1 0.821 . . . . . . . . . . . 15541 1 50 . 2 1 78 78 ASP N N 15 . 2 1 78 78 ASP H H 1 0.476 . . . . . . . . . . . 15541 1 51 . 2 1 79 79 LEU N N 15 . 2 1 79 79 LEU H H 1 0.577 . . . . . . . . . . . 15541 1 52 . 2 1 81 81 SER N N 15 . 2 1 81 81 SER H H 1 0.579 . . . . . . . . . . . 15541 1 53 . 2 1 82 82 GLU N N 15 . 2 1 82 82 GLU H H 1 0.440 . . . . . . . . . . . 15541 1 54 . 2 1 85 85 THR N N 15 . 2 1 85 85 THR H H 1 0.490 . . . . . . . . . . . 15541 1 55 . 2 1 86 86 VAL N N 15 . 2 1 86 86 VAL H H 1 0.541 . . . . . . . . . . . 15541 1 56 . 2 1 90 90 ALA N N 15 . 2 1 90 90 ALA H H 1 0.807 . . . . . . . . . . . 15541 1 57 . 2 1 92 92 LEU N N 15 . 2 1 92 92 LEU H H 1 0.805 . . . . . . . . . . . 15541 1 58 . 2 1 93 93 MET N N 15 . 2 1 93 93 MET H H 1 0.779 . . . . . . . . . . . 15541 1 59 . 2 1 95 95 GLN N N 15 . 2 1 95 95 GLN H H 1 0.802 . . . . . . . . . . . 15541 1 60 . 2 1 96 96 LEU N N 15 . 2 1 96 96 LEU H H 1 0.790 . . . . . . . . . . . 15541 1 61 . 2 1 98 98 LEU N N 15 . 2 1 98 98 LEU H H 1 0.765 . . . . . . . . . . . 15541 1 62 . 2 1 100 100 GLU N N 15 . 2 1 100 100 GLU H H 1 0.731 . . . . . . . . . . . 15541 1 63 . 2 1 101 101 GLU N N 15 . 2 1 101 101 GLU H H 1 0.811 . . . . . . . . . . . 15541 1 64 . 2 1 102 102 LEU N N 15 . 2 1 102 102 LEU H H 1 0.846 . . . . . . . . . . . 15541 1 65 . 2 1 103 103 ASP N N 15 . 2 1 103 103 ASP H H 1 0.829 . . . . . . . . . . . 15541 1 66 . 2 1 104 104 GLU N N 15 . 2 1 104 104 GLU H H 1 0.814 . . . . . . . . . . . 15541 1 67 . 2 1 105 105 ILE N N 15 . 2 1 105 105 ILE H H 1 0.858 . . . . . . . . . . . 15541 1 68 . 2 1 107 107 GLN N N 15 . 2 1 107 107 GLN H H 1 0.778 . . . . . . . . . . . 15541 1 69 . 2 1 108 108 ALA N N 15 . 2 1 108 108 ALA H H 1 0.781 . . . . . . . . . . . 15541 1 70 . 2 1 109 109 LYS N N 15 . 2 1 109 109 LYS H H 1 0.754 . . . . . . . . . . . 15541 1 71 . 2 1 110 110 ASP N N 15 . 2 1 110 110 ASP H H 1 0.766 . . . . . . . . . . . 15541 1 72 . 2 1 111 111 GLU N N 15 . 2 1 111 111 GLU H H 1 0.758 . . . . . . . . . . . 15541 1 73 . 2 1 112 112 ALA N N 15 . 2 1 112 112 ALA H H 1 0.761 . . . . . . . . . . . 15541 1 74 . 2 1 116 116 SER N N 15 . 2 1 116 116 SER H H 1 0.755 . . . . . . . . . . . 15541 1 75 . 2 1 117 117 PHE N N 15 . 2 1 117 117 PHE H H 1 0.837 . . . . . . . . . . . 15541 1 76 . 2 1 118 118 ILE N N 15 . 2 1 118 118 ILE H H 1 0.722 . . . . . . . . . . . 15541 1 77 . 2 1 120 120 ARG N N 15 . 2 1 120 120 ARG H H 1 0.794 . . . . . . . . . . . 15541 1 78 . 2 1 122 122 LYS N N 15 . 2 1 122 122 LYS H H 1 0.831 . . . . . . . . . . . 15541 1 79 . 2 1 125 125 PHE N N 15 . 2 1 125 125 PHE H H 1 0.837 . . . . . . . . . . . 15541 1 80 . 2 1 126 126 ASP N N 15 . 2 1 126 126 ASP H H 1 0.847 . . . . . . . . . . . 15541 1 81 . 2 1 127 127 THR N N 15 . 2 1 127 127 THR H H 1 0.851 . . . . . . . . . . . 15541 1 82 . 2 1 128 128 ARG N N 15 . 2 1 128 128 ARG H H 1 0.861 . . . . . . . . . . . 15541 1 83 . 2 1 129 129 HIS N N 15 . 2 1 129 129 HIS H H 1 0.772 . . . . . . . . . . . 15541 1 84 . 2 1 130 130 GLN N N 15 . 2 1 130 130 GLN H H 1 0.801 . . . . . . . . . . . 15541 1 85 . 2 1 131 131 LEU N N 15 . 2 1 131 131 LEU H H 1 0.824 . . . . . . . . . . . 15541 1 86 . 2 1 133 133 VAL N N 15 . 2 1 133 133 VAL H H 1 0.836 . . . . . . . . . . . 15541 1 87 . 2 1 134 134 GLU N N 15 . 2 1 134 134 GLU H H 1 0.845 . . . . . . . . . . . 15541 1 88 . 2 1 136 136 LEU N N 15 . 2 1 136 136 LEU H H 1 0.870 . . . . . . . . . . . 15541 1 89 . 2 1 137 137 ASP N N 15 . 2 1 137 137 ASP H H 1 0.827 . . . . . . . . . . . 15541 1 90 . 2 1 138 138 ASN N N 15 . 2 1 138 138 ASN H H 1 0.843 . . . . . . . . . . . 15541 1 91 . 2 1 140 140 THR N N 15 . 2 1 140 140 THR H H 1 0.883 . . . . . . . . . . . 15541 1 92 . 2 1 141 141 TRP N N 15 . 2 1 141 141 TRP H H 1 0.879 . . . . . . . . . . . 15541 1 93 . 2 1 142 142 ASP N N 15 . 2 1 142 142 ASP H H 1 0.841 . . . . . . . . . . . 15541 1 94 . 2 1 143 143 ALA N N 15 . 2 1 143 143 ALA H H 1 0.827 . . . . . . . . . . . 15541 1 95 . 2 1 144 144 ALA N N 15 . 2 1 144 144 ALA H H 1 0.854 . . . . . . . . . . . 15541 1 96 . 2 1 145 145 ALA N N 15 . 2 1 145 145 ALA H H 1 0.857 . . . . . . . . . . . 15541 1 97 . 2 1 146 146 ASP N N 15 . 2 1 146 146 ASP H H 1 0.866 . . . . . . . . . . . 15541 1 98 . 2 1 147 147 THR N N 15 . 2 1 147 147 THR H H 1 0.892 . . . . . . . . . . . 15541 1 99 . 2 1 148 148 VAL N N 15 . 2 1 148 148 VAL H H 1 0.851 . . . . . . . . . . . 15541 1 100 . 2 1 150 150 LYS N N 15 . 2 1 150 150 LYS H H 1 0.845 . . . . . . . . . . . 15541 1 101 . 2 1 151 151 LEU N N 15 . 2 1 151 151 LEU H H 1 0.816 . . . . . . . . . . . 15541 1 102 . 2 1 152 152 ARG N N 15 . 2 1 152 152 ARG H H 1 0.891 . . . . . . . . . . . 15541 1 103 . 2 1 153 153 PHE N N 15 . 2 1 153 153 PHE H H 1 0.807 . . . . . . . . . . . 15541 1 104 . 2 1 155 155 ASP N N 15 . 2 1 155 155 ASP H H 1 0.853 . . . . . . . . . . . 15541 1 105 . 2 1 156 156 LYS N N 15 . 2 1 156 156 LYS H H 1 0.823 . . . . . . . . . . . 15541 1 106 . 2 1 157 157 LEU N N 15 . 2 1 157 157 LEU H H 1 0.793 . . . . . . . . . . . 15541 1 107 . 2 1 158 158 ARG N N 15 . 2 1 158 158 ARG H H 1 0.863 . . . . . . . . . . . 15541 1 108 . 2 1 159 159 SER N N 15 . 2 1 159 159 SER H H 1 0.848 . . . . . . . . . . . 15541 1 109 . 2 1 161 161 ALA N N 15 . 2 1 161 161 ALA H H 1 0.746 . . . . . . . . . . . 15541 1 110 . 2 1 162 162 GLU N N 15 . 2 1 162 162 GLU H H 1 0.809 . . . . . . . . . . . 15541 1 111 . 2 1 163 163 GLN N N 15 . 2 1 163 163 GLN H H 1 0.802 . . . . . . . . . . . 15541 1 112 . 2 1 166 166 GLU N N 15 . 2 1 166 166 GLU H H 1 0.625 . . . . . . . . . . . 15541 1 113 . 2 1 167 167 LYS N N 15 . 2 1 167 167 LYS H H 1 0.529 . . . . . . . . . . . 15541 1 114 . 2 1 169 169 LEU N N 15 . 2 1 169 169 LEU H H 1 0.427 . . . . . . . . . . . 15541 1 115 . 2 1 171 171 PHE N N 15 . 2 1 171 171 PHE H H 1 -0.931 . . . . . . . . . . . 15541 1 stop_ save_ save_heteronuclear_noe_list_2 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_noe_list_2 _Heteronucl_NOE_list.Entry_ID 15541 _Heteronucl_NOE_list.ID 2 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details 'Two sets of heteronuclear NOE data sets were acquired, one month apart, on the same sample and at the same magnetic field strength for the purpose of error estimation.' _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 14 '2D 1H-15N HSQC' . . . 15541 2 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $NMRPipe . . 15541 2 2 $SPARKY . . 15541 2 3 $VNMR . . 15541 2 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 . 2 1 3 3 TYR N N 15 . 2 1 3 3 TYR H H 1 0.876 . . . . . . . . . . . 15541 2 2 . 2 1 4 4 PHE N N 15 . 2 1 4 4 PHE H H 1 0.867 . . . . . . . . . . . 15541 2 3 . 2 1 5 5 THR N N 15 . 2 1 5 5 THR H H 1 0.806 . . . . . . . . . . . 15541 2 4 . 2 1 6 6 LEU N N 15 . 2 1 6 6 LEU H H 1 0.810 . . . . . . . . . . . 15541 2 5 . 2 1 7 7 PHE N N 15 . 2 1 7 7 PHE H H 1 0.849 . . . . . . . . . . . 15541 2 6 . 2 1 8 8 GLY N N 15 . 2 1 8 8 GLY H H 1 0.791 . . . . . . . . . . . 15541 2 7 . 2 1 9 9 LEU N N 15 . 2 1 9 9 LEU H H 1 0.793 . . . . . . . . . . . 15541 2 8 . 2 1 11 11 ALA N N 15 . 2 1 11 11 ALA H H 1 0.849 . . . . . . . . . . . 15541 2 9 . 2 1 13 13 TYR N N 15 . 2 1 13 13 TYR H H 1 0.818 . . . . . . . . . . . 15541 2 10 . 2 1 14 14 GLN N N 15 . 2 1 14 14 GLN H H 1 0.821 . . . . . . . . . . . 15541 2 11 . 2 1 15 15 LEU N N 15 . 2 1 15 15 LEU H H 1 0.506 . . . . . . . . . . . 15541 2 12 . 2 1 19 19 ALA N N 15 . 2 1 19 19 ALA H H 1 0.773 . . . . . . . . . . . 15541 2 13 . 2 1 21 21 SER N N 15 . 2 1 21 21 SER H H 1 0.811 . . . . . . . . . . . 15541 2 14 . 2 1 22 22 LEU N N 15 . 2 1 22 22 LEU H H 1 0.774 . . . . . . . . . . . 15541 2 15 . 2 1 24 24 PHE N N 15 . 2 1 24 24 PHE H H 1 0.785 . . . . . . . . . . . 15541 2 16 . 2 1 25 25 GLN N N 15 . 2 1 25 25 GLN H H 1 0.809 . . . . . . . . . . . 15541 2 17 . 2 1 26 26 ASP N N 15 . 2 1 26 26 ASP H H 1 0.800 . . . . . . . . . . . 15541 2 18 . 2 1 27 27 LEU N N 15 . 2 1 27 27 LEU H H 1 0.810 . . . . . . . . . . . 15541 2 19 . 2 1 28 28 GLN N N 15 . 2 1 28 28 GLN H H 1 0.770 . . . . . . . . . . . 15541 2 20 . 2 1 29 29 ARG N N 15 . 2 1 29 29 ARG H H 1 0.751 . . . . . . . . . . . 15541 2 21 . 2 1 32 32 HIS N N 15 . 2 1 32 32 HIS H H 1 0.622 . . . . . . . . . . . 15541 2 22 . 2 1 34 34 ASP N N 15 . 2 1 34 34 ASP H H 1 0.637 . . . . . . . . . . . 15541 2 23 . 2 1 35 35 LYS N N 15 . 2 1 35 35 LYS H H 1 0.542 . . . . . . . . . . . 15541 2 24 . 2 1 36 36 PHE N N 15 . 2 1 36 36 PHE H H 1 0.515 . . . . . . . . . . . 15541 2 25 . 2 1 37 37 ALA N N 15 . 2 1 37 37 ALA H H 1 0.623 . . . . . . . . . . . 15541 2 26 . 2 1 39 39 GLY N N 15 . 2 1 39 39 GLY H H 1 0.488 . . . . . . . . . . . 15541 2 27 . 2 1 40 40 SER N N 15 . 2 1 40 40 SER H H 1 0.497 . . . . . . . . . . . 15541 2 28 . 2 1 46 46 ALA N N 15 . 2 1 46 46 ALA H H 1 0.671 . . . . . . . . . . . 15541 2 29 . 2 1 47 47 ALA N N 15 . 2 1 47 47 ALA H H 1 0.691 . . . . . . . . . . . 15541 2 30 . 2 1 48 48 VAL N N 15 . 2 1 48 48 VAL H H 1 0.631 . . . . . . . . . . . 15541 2 31 . 2 1 50 50 GLN N N 15 . 2 1 50 50 GLN H H 1 0.726 . . . . . . . . . . . 15541 2 32 . 2 1 51 51 SER N N 15 . 2 1 51 51 SER H H 1 0.793 . . . . . . . . . . . 15541 2 33 . 2 1 52 52 ALA N N 15 . 2 1 52 52 ALA H H 1 0.830 . . . . . . . . . . . 15541 2 34 . 2 1 53 53 THR N N 15 . 2 1 53 53 THR H H 1 0.846 . . . . . . . . . . . 15541 2 35 . 2 1 54 54 ILE N N 15 . 2 1 54 54 ILE H H 1 0.847 . . . . . . . . . . . 15541 2 36 . 2 1 55 55 ASN N N 15 . 2 1 55 55 ASN H H 1 0.769 . . . . . . . . . . . 15541 2 37 . 2 1 56 56 GLN N N 15 . 2 1 56 56 GLN H H 1 0.740 . . . . . . . . . . . 15541 2 38 . 2 1 58 58 TRP N N 15 . 2 1 58 58 TRP H H 1 0.773 . . . . . . . . . . . 15541 2 39 . 2 1 59 59 GLN N N 15 . 2 1 59 59 GLN H H 1 0.829 . . . . . . . . . . . 15541 2 40 . 2 1 60 60 THR N N 15 . 2 1 60 60 THR H H 1 0.893 . . . . . . . . . . . 15541 2 41 . 2 1 61 61 LEU N N 15 . 2 1 61 61 LEU H H 1 0.892 . . . . . . . . . . . 15541 2 42 . 2 1 62 62 ARG N N 15 . 2 1 62 62 ARG H H 1 0.876 . . . . . . . . . . . 15541 2 43 . 2 1 69 69 GLU N N 15 . 2 1 69 69 GLU H H 1 0.816 . . . . . . . . . . . 15541 2 44 . 2 1 70 70 TYR N N 15 . 2 1 70 70 TYR H H 1 0.900 . . . . . . . . . . . 15541 2 45 . 2 1 71 71 LEU N N 15 . 2 1 71 71 LEU H H 1 0.838 . . . . . . . . . . . 15541 2 46 . 2 1 72 72 LEU N N 15 . 2 1 72 72 LEU H H 1 0.824 . . . . . . . . . . . 15541 2 47 . 2 1 74 74 LEU N N 15 . 2 1 74 74 LEU H H 1 0.829 . . . . . . . . . . . 15541 2 48 . 2 1 75 75 HIS N N 15 . 2 1 75 75 HIS H H 1 0.848 . . . . . . . . . . . 15541 2 49 . 2 1 76 76 GLY N N 15 . 2 1 76 76 GLY H H 1 0.864 . . . . . . . . . . . 15541 2 50 . 2 1 78 78 ASP N N 15 . 2 1 78 78 ASP H H 1 0.550 . . . . . . . . . . . 15541 2 51 . 2 1 79 79 LEU N N 15 . 2 1 79 79 LEU H H 1 0.592 . . . . . . . . . . . 15541 2 52 . 2 1 81 81 SER N N 15 . 2 1 81 81 SER H H 1 0.580 . . . . . . . . . . . 15541 2 53 . 2 1 82 82 GLU N N 15 . 2 1 82 82 GLU H H 1 0.395 . . . . . . . . . . . 15541 2 54 . 2 1 86 86 VAL N N 15 . 2 1 86 86 VAL H H 1 0.540 . . . . . . . . . . . 15541 2 55 . 2 1 90 90 ALA N N 15 . 2 1 90 90 ALA H H 1 0.805 . . . . . . . . . . . 15541 2 56 . 2 1 92 92 LEU N N 15 . 2 1 92 92 LEU H H 1 0.782 . . . . . . . . . . . 15541 2 57 . 2 1 93 93 MET N N 15 . 2 1 93 93 MET H H 1 0.844 . . . . . . . . . . . 15541 2 58 . 2 1 95 95 GLN N N 15 . 2 1 95 95 GLN H H 1 0.809 . . . . . . . . . . . 15541 2 59 . 2 1 96 96 LEU N N 15 . 2 1 96 96 LEU H H 1 0.775 . . . . . . . . . . . 15541 2 60 . 2 1 98 98 LEU N N 15 . 2 1 98 98 LEU H H 1 0.731 . . . . . . . . . . . 15541 2 61 . 2 1 100 100 GLU N N 15 . 2 1 100 100 GLU H H 1 0.753 . . . . . . . . . . . 15541 2 62 . 2 1 101 101 GLU N N 15 . 2 1 101 101 GLU H H 1 0.793 . . . . . . . . . . . 15541 2 63 . 2 1 102 102 LEU N N 15 . 2 1 102 102 LEU H H 1 0.777 . . . . . . . . . . . 15541 2 64 . 2 1 103 103 ASP N N 15 . 2 1 103 103 ASP H H 1 0.799 . . . . . . . . . . . 15541 2 65 . 2 1 104 104 GLU N N 15 . 2 1 104 104 GLU H H 1 0.817 . . . . . . . . . . . 15541 2 66 . 2 1 105 105 ILE N N 15 . 2 1 105 105 ILE H H 1 0.860 . . . . . . . . . . . 15541 2 67 . 2 1 107 107 GLN N N 15 . 2 1 107 107 GLN H H 1 0.748 . . . . . . . . . . . 15541 2 68 . 2 1 108 108 ALA N N 15 . 2 1 108 108 ALA H H 1 0.816 . . . . . . . . . . . 15541 2 69 . 2 1 109 109 LYS N N 15 . 2 1 109 109 LYS H H 1 0.762 . . . . . . . . . . . 15541 2 70 . 2 1 110 110 ASP N N 15 . 2 1 110 110 ASP H H 1 0.745 . . . . . . . . . . . 15541 2 71 . 2 1 111 111 GLU N N 15 . 2 1 111 111 GLU H H 1 0.798 . . . . . . . . . . . 15541 2 72 . 2 1 112 112 ALA N N 15 . 2 1 112 112 ALA H H 1 0.779 . . . . . . . . . . . 15541 2 73 . 2 1 116 116 SER N N 15 . 2 1 116 116 SER H H 1 0.755 . . . . . . . . . . . 15541 2 74 . 2 1 117 117 PHE N N 15 . 2 1 117 117 PHE H H 1 0.829 . . . . . . . . . . . 15541 2 75 . 2 1 118 118 ILE N N 15 . 2 1 118 118 ILE H H 1 0.878 . . . . . . . . . . . 15541 2 76 . 2 1 120 120 ARG N N 15 . 2 1 120 120 ARG H H 1 0.800 . . . . . . . . . . . 15541 2 77 . 2 1 122 122 LYS N N 15 . 2 1 122 122 LYS H H 1 0.837 . . . . . . . . . . . 15541 2 78 . 2 1 125 125 PHE N N 15 . 2 1 125 125 PHE H H 1 0.810 . . . . . . . . . . . 15541 2 79 . 2 1 126 126 ASP N N 15 . 2 1 126 126 ASP H H 1 0.828 . . . . . . . . . . . 15541 2 80 . 2 1 127 127 THR N N 15 . 2 1 127 127 THR H H 1 0.859 . . . . . . . . . . . 15541 2 81 . 2 1 128 128 ARG N N 15 . 2 1 128 128 ARG H H 1 0.794 . . . . . . . . . . . 15541 2 82 . 2 1 129 129 HIS N N 15 . 2 1 129 129 HIS H H 1 0.790 . . . . . . . . . . . 15541 2 83 . 2 1 130 130 GLN N N 15 . 2 1 130 130 GLN H H 1 0.790 . . . . . . . . . . . 15541 2 84 . 2 1 131 131 LEU N N 15 . 2 1 131 131 LEU H H 1 0.856 . . . . . . . . . . . 15541 2 85 . 2 1 133 133 VAL N N 15 . 2 1 133 133 VAL H H 1 0.848 . . . . . . . . . . . 15541 2 86 . 2 1 134 134 GLU N N 15 . 2 1 134 134 GLU H H 1 0.825 . . . . . . . . . . . 15541 2 87 . 2 1 136 136 LEU N N 15 . 2 1 136 136 LEU H H 1 0.817 . . . . . . . . . . . 15541 2 88 . 2 1 137 137 ASP N N 15 . 2 1 137 137 ASP H H 1 0.833 . . . . . . . . . . . 15541 2 89 . 2 1 138 138 ASN N N 15 . 2 1 138 138 ASN H H 1 0.855 . . . . . . . . . . . 15541 2 90 . 2 1 140 140 THR N N 15 . 2 1 140 140 THR H H 1 0.880 . . . . . . . . . . . 15541 2 91 . 2 1 141 141 TRP N N 15 . 2 1 141 141 TRP H H 1 0.876 . . . . . . . . . . . 15541 2 92 . 2 1 142 142 ASP N N 15 . 2 1 142 142 ASP H H 1 0.812 . . . . . . . . . . . 15541 2 93 . 2 1 143 143 ALA N N 15 . 2 1 143 143 ALA H H 1 0.822 . . . . . . . . . . . 15541 2 94 . 2 1 144 144 ALA N N 15 . 2 1 144 144 ALA H H 1 0.843 . . . . . . . . . . . 15541 2 95 . 2 1 145 145 ALA N N 15 . 2 1 145 145 ALA H H 1 0.838 . . . . . . . . . . . 15541 2 96 . 2 1 146 146 ASP N N 15 . 2 1 146 146 ASP H H 1 0.841 . . . . . . . . . . . 15541 2 97 . 2 1 147 147 THR N N 15 . 2 1 147 147 THR H H 1 0.873 . . . . . . . . . . . 15541 2 98 . 2 1 148 148 VAL N N 15 . 2 1 148 148 VAL H H 1 0.860 . . . . . . . . . . . 15541 2 99 . 2 1 150 150 LYS N N 15 . 2 1 150 150 LYS H H 1 0.861 . . . . . . . . . . . 15541 2 100 . 2 1 151 151 LEU N N 15 . 2 1 151 151 LEU H H 1 0.832 . . . . . . . . . . . 15541 2 101 . 2 1 152 152 ARG N N 15 . 2 1 152 152 ARG H H 1 0.809 . . . . . . . . . . . 15541 2 102 . 2 1 153 153 PHE N N 15 . 2 1 153 153 PHE H H 1 0.825 . . . . . . . . . . . 15541 2 103 . 2 1 155 155 ASP N N 15 . 2 1 155 155 ASP H H 1 0.782 . . . . . . . . . . . 15541 2 104 . 2 1 156 156 LYS N N 15 . 2 1 156 156 LYS H H 1 0.813 . . . . . . . . . . . 15541 2 105 . 2 1 157 157 LEU N N 15 . 2 1 157 157 LEU H H 1 0.805 . . . . . . . . . . . 15541 2 106 . 2 1 158 158 ARG N N 15 . 2 1 158 158 ARG H H 1 0.850 . . . . . . . . . . . 15541 2 107 . 2 1 159 159 SER N N 15 . 2 1 159 159 SER H H 1 0.822 . . . . . . . . . . . 15541 2 108 . 2 1 161 161 ALA N N 15 . 2 1 161 161 ALA H H 1 0.786 . . . . . . . . . . . 15541 2 109 . 2 1 162 162 GLU N N 15 . 2 1 162 162 GLU H H 1 0.817 . . . . . . . . . . . 15541 2 110 . 2 1 163 163 GLN N N 15 . 2 1 163 163 GLN H H 1 0.774 . . . . . . . . . . . 15541 2 111 . 2 1 166 166 GLU N N 15 . 2 1 166 166 GLU H H 1 0.634 . . . . . . . . . . . 15541 2 112 . 2 1 167 167 LYS N N 15 . 2 1 167 167 LYS H H 1 0.540 . . . . . . . . . . . 15541 2 113 . 2 1 169 169 LEU N N 15 . 2 1 169 169 LEU H H 1 0.426 . . . . . . . . . . . 15541 2 114 . 2 1 171 171 PHE N N 15 . 2 1 171 171 PHE H H 1 -0.930 . . . . . . . . . . . 15541 2 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_1 _Heteronucl_T1_list.Entry_ID 15541 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Nz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details 'Two sets of T1 data sets were acquired, one month apart, on the same sample and at the same magnetic field strength for the purpose of error estimation.' _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 14 '2D 1H-15N HSQC' . . . 15541 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 1 $NMRPipe . . 15541 1 2 $SPARKY . . 15541 1 3 $VNMR . . 15541 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 . 2 1 3 3 TYR N N 15 0.968 0.021 . . . . . 15541 1 2 . 2 1 4 4 PHE N N 15 0.990 0.022 . . . . . 15541 1 3 . 2 1 5 5 THR N N 15 0.955 0.026 . . . . . 15541 1 4 . 2 1 6 6 LEU N N 15 0.979 0.016 . . . . . 15541 1 5 . 2 1 7 7 PHE N N 15 1.138 0.009 . . . . . 15541 1 6 . 2 1 8 8 GLY N N 15 0.953 0.006 . . . . . 15541 1 7 . 2 1 9 9 LEU N N 15 1.071 0.024 . . . . . 15541 1 8 . 2 1 11 11 ALA N N 15 1.014 0.033 . . . . . 15541 1 9 . 2 1 13 13 TYR N N 15 1.078 0.008 . . . . . 15541 1 10 . 2 1 14 14 GLN N N 15 0.981 0.020 . . . . . 15541 1 11 . 2 1 15 15 LEU N N 15 1.099 0.017 . . . . . 15541 1 12 . 2 1 19 19 ALA N N 15 1.037 0.026 . . . . . 15541 1 13 . 2 1 21 21 SER N N 15 1.003 0.013 . . . . . 15541 1 14 . 2 1 22 22 LEU N N 15 1.062 0.023 . . . . . 15541 1 15 . 2 1 24 24 PHE N N 15 1.111 0.029 . . . . . 15541 1 16 . 2 1 25 25 GLN N N 15 1.073 0.014 . . . . . 15541 1 17 . 2 1 26 26 ASP N N 15 1.140 0.020 . . . . . 15541 1 18 . 2 1 27 27 LEU N N 15 1.184 0.011 . . . . . 15541 1 19 . 2 1 28 28 GLN N N 15 1.120 0.031 . . . . . 15541 1 20 . 2 1 29 29 ARG N N 15 1.028 0.033 . . . . . 15541 1 21 . 2 1 32 32 HIS N N 15 0.831 0.010 . . . . . 15541 1 22 . 2 1 34 34 ASP N N 15 0.854 0.068 . . . . . 15541 1 23 . 2 1 35 35 LYS N N 15 0.869 0.047 . . . . . 15541 1 24 . 2 1 36 36 PHE N N 15 0.891 0.030 . . . . . 15541 1 25 . 2 1 37 37 ALA N N 15 0.714 0.028 . . . . . 15541 1 26 . 2 1 39 39 GLY N N 15 0.749 0.020 . . . . . 15541 1 27 . 2 1 40 40 SER N N 15 0.729 0.031 . . . . . 15541 1 28 . 2 1 46 46 ALA N N 15 1.016 0.063 . . . . . 15541 1 29 . 2 1 47 47 ALA N N 15 0.968 0.018 . . . . . 15541 1 30 . 2 1 48 48 VAL N N 15 0.965 0.023 . . . . . 15541 1 31 . 2 1 50 50 GLN N N 15 0.970 0.021 . . . . . 15541 1 32 . 2 1 51 51 SER N N 15 0.896 0.029 . . . . . 15541 1 33 . 2 1 52 52 ALA N N 15 0.905 0.020 . . . . . 15541 1 34 . 2 1 53 53 THR N N 15 1.005 0.047 . . . . . 15541 1 35 . 2 1 54 54 ILE N N 15 1.075 0.016 . . . . . 15541 1 36 . 2 1 55 55 ASN N N 15 1.055 0.034 . . . . . 15541 1 37 . 2 1 56 56 GLN N N 15 1.094 0.010 . . . . . 15541 1 38 . 2 1 58 58 TRP N N 15 1.099 0.013 . . . . . 15541 1 39 . 2 1 59 59 GLN N N 15 1.093 0.006 . . . . . 15541 1 40 . 2 1 60 60 THR N N 15 1.183 0.028 . . . . . 15541 1 41 . 2 1 61 61 LEU N N 15 1.092 0.010 . . . . . 15541 1 42 . 2 1 62 62 ARG N N 15 1.006 0.018 . . . . . 15541 1 43 . 2 1 69 69 GLU N N 15 0.984 0.019 . . . . . 15541 1 44 . 2 1 70 70 TYR N N 15 0.964 0.011 . . . . . 15541 1 45 . 2 1 71 71 LEU N N 15 1.063 0.019 . . . . . 15541 1 46 . 2 1 72 72 LEU N N 15 1.032 0.015 . . . . . 15541 1 47 . 2 1 74 74 LEU N N 15 0.929 0.022 . . . . . 15541 1 48 . 2 1 75 75 HIS N N 15 1.037 0.023 . . . . . 15541 1 49 . 2 1 76 76 GLY N N 15 0.868 0.040 . . . . . 15541 1 50 . 2 1 78 78 ASP N N 15 0.839 0.056 . . . . . 15541 1 51 . 2 1 79 79 LEU N N 15 0.843 0.032 . . . . . 15541 1 52 . 2 1 81 81 SER N N 15 0.737 0.016 . . . . . 15541 1 53 . 2 1 82 82 GLU N N 15 0.691 0.020 . . . . . 15541 1 54 . 2 1 86 86 VAL N N 15 0.658 0.007 . . . . . 15541 1 55 . 2 1 90 90 ALA N N 15 0.840 0.050 . . . . . 15541 1 56 . 2 1 92 92 LEU N N 15 0.912 0.016 . . . . . 15541 1 57 . 2 1 93 93 MET N N 15 0.930 0.040 . . . . . 15541 1 58 . 2 1 95 95 GLN N N 15 1.024 0.012 . . . . . 15541 1 59 . 2 1 96 96 LEU N N 15 1.042 0.023 . . . . . 15541 1 60 . 2 1 98 98 LEU N N 15 1.042 0.021 . . . . . 15541 1 61 . 2 1 100 100 GLU N N 15 1.038 0.012 . . . . . 15541 1 62 . 2 1 101 101 GLU N N 15 1.073 0.015 . . . . . 15541 1 63 . 2 1 102 102 LEU N N 15 1.092 0.012 . . . . . 15541 1 64 . 2 1 103 103 ASP N N 15 1.022 0.013 . . . . . 15541 1 65 . 2 1 104 104 GLU N N 15 1.075 0.015 . . . . . 15541 1 66 . 2 1 105 105 ILE N N 15 1.100 0.027 . . . . . 15541 1 67 . 2 1 107 107 GLN N N 15 1.090 0.006 . . . . . 15541 1 68 . 2 1 108 108 ALA N N 15 1.132 0.016 . . . . . 15541 1 69 . 2 1 109 109 LYS N N 15 1.071 0.021 . . . . . 15541 1 70 . 2 1 110 110 ASP N N 15 1.061 0.018 . . . . . 15541 1 71 . 2 1 111 111 GLU N N 15 1.094 0.031 . . . . . 15541 1 72 . 2 1 112 112 ALA N N 15 1.111 0.025 . . . . . 15541 1 73 . 2 1 116 116 SER N N 15 1.141 0.028 . . . . . 15541 1 74 . 2 1 117 117 PHE N N 15 1.035 0.016 . . . . . 15541 1 75 . 2 1 118 118 ILE N N 15 1.052 0.029 . . . . . 15541 1 76 . 2 1 120 120 ARG N N 15 1.115 0.017 . . . . . 15541 1 77 . 2 1 122 122 LYS N N 15 1.126 0.011 . . . . . 15541 1 78 . 2 1 125 125 PHE N N 15 1.103 0.026 . . . . . 15541 1 79 . 2 1 126 126 ASP N N 15 1.105 0.017 . . . . . 15541 1 80 . 2 1 127 127 THR N N 15 1.055 0.011 . . . . . 15541 1 81 . 2 1 128 128 ARG N N 15 1.048 0.013 . . . . . 15541 1 82 . 2 1 129 129 HIS N N 15 1.084 0.030 . . . . . 15541 1 83 . 2 1 130 130 GLN N N 15 1.185 0.023 . . . . . 15541 1 84 . 2 1 131 131 LEU N N 15 1.169 0.014 . . . . . 15541 1 85 . 2 1 133 133 VAL N N 15 1.156 0.024 . . . . . 15541 1 86 . 2 1 134 134 GLU N N 15 1.216 0.025 . . . . . 15541 1 87 . 2 1 136 136 LEU N N 15 1.143 0.021 . . . . . 15541 1 88 . 2 1 137 137 ASP N N 15 1.156 0.033 . . . . . 15541 1 89 . 2 1 138 138 ASN N N 15 1.221 0.016 . . . . . 15541 1 90 . 2 1 140 140 THR N N 15 1.000 0.008 . . . . . 15541 1 91 . 2 1 141 141 TRP N N 15 1.146 0.015 . . . . . 15541 1 92 . 2 1 142 142 ASP N N 15 0.992 0.026 . . . . . 15541 1 93 . 2 1 143 143 ALA N N 15 1.145 0.022 . . . . . 15541 1 94 . 2 1 144 144 ALA N N 15 1.105 0.009 . . . . . 15541 1 95 . 2 1 145 145 ALA N N 15 1.036 0.008 . . . . . 15541 1 96 . 2 1 146 146 ASP N N 15 1.057 0.039 . . . . . 15541 1 97 . 2 1 147 147 THR N N 15 1.044 0.026 . . . . . 15541 1 98 . 2 1 148 148 VAL N N 15 1.035 0.018 . . . . . 15541 1 99 . 2 1 150 150 LYS N N 15 1.070 0.021 . . . . . 15541 1 100 . 2 1 151 151 LEU N N 15 1.046 0.013 . . . . . 15541 1 101 . 2 1 152 152 ARG N N 15 1.004 0.016 . . . . . 15541 1 102 . 2 1 153 153 PHE N N 15 1.041 0.021 . . . . . 15541 1 103 . 2 1 155 155 ASP N N 15 1.035 0.029 . . . . . 15541 1 104 . 2 1 156 156 LYS N N 15 1.019 0.017 . . . . . 15541 1 105 . 2 1 157 157 LEU N N 15 1.058 0.021 . . . . . 15541 1 106 . 2 1 158 158 ARG N N 15 1.045 0.010 . . . . . 15541 1 107 . 2 1 159 159 SER N N 15 1.027 0.017 . . . . . 15541 1 108 . 2 1 161 161 ALA N N 15 1.014 0.028 . . . . . 15541 1 109 . 2 1 162 162 GLU N N 15 1.101 0.010 . . . . . 15541 1 110 . 2 1 163 163 GLN N N 15 1.039 0.016 . . . . . 15541 1 111 . 2 1 166 166 GLU N N 15 1.054 0.003 . . . . . 15541 1 112 . 2 1 167 167 LYS N N 15 0.983 0.018 . . . . . 15541 1 113 . 2 1 169 169 LEU N N 15 0.867 0.007 . . . . . 15541 1 114 . 2 1 171 171 PHE N N 15 0.964 0.034 . . . . . 15541 1 stop_ save_ save_heteronuclear_T1_list_2 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_2 _Heteronucl_T1_list.Entry_ID 15541 _Heteronucl_T1_list.ID 2 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_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 'Two sets of T1 data sets were acquired, one month apart, on the same sample and at the same magnetic field strength for the purpose of error estimation.' _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 14 '2D 1H-15N HSQC' . . . 15541 2 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 1 $NMRPipe . . 15541 2 2 $SPARKY . . 15541 2 3 $VNMR . . 15541 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 . 2 1 3 3 TYR N N 15 0.925 0.046 . . . . . 15541 2 2 . 2 1 4 4 PHE N N 15 0.890 0.023 . . . . . 15541 2 3 . 2 1 5 5 THR N N 15 0.952 0.036 . . . . . 15541 2 4 . 2 1 6 6 LEU N N 15 0.983 0.028 . . . . . 15541 2 5 . 2 1 7 7 PHE N N 15 1.129 0.020 . . . . . 15541 2 6 . 2 1 8 8 GLY N N 15 0.940 0.007 . . . . . 15541 2 7 . 2 1 9 9 LEU N N 15 1.033 0.028 . . . . . 15541 2 8 . 2 1 11 11 ALA N N 15 1.000 0.020 . . . . . 15541 2 9 . 2 1 13 13 TYR N N 15 0.953 0.030 . . . . . 15541 2 10 . 2 1 14 14 GLN N N 15 0.976 0.018 . . . . . 15541 2 11 . 2 1 15 15 LEU N N 15 1.078 0.054 . . . . . 15541 2 12 . 2 1 19 19 ALA N N 15 1.032 0.024 . . . . . 15541 2 13 . 2 1 21 21 SER N N 15 0.978 0.038 . . . . . 15541 2 14 . 2 1 22 22 LEU N N 15 1.046 0.028 . . . . . 15541 2 15 . 2 1 24 24 PHE N N 15 1.095 0.028 . . . . . 15541 2 16 . 2 1 25 25 GLN N N 15 1.066 0.020 . . . . . 15541 2 17 . 2 1 26 26 ASP N N 15 1.138 0.024 . . . . . 15541 2 18 . 2 1 27 27 LEU N N 15 1.147 0.019 . . . . . 15541 2 19 . 2 1 28 28 GLN N N 15 1.102 0.011 . . . . . 15541 2 20 . 2 1 29 29 ARG N N 15 1.039 0.008 . . . . . 15541 2 21 . 2 1 32 32 HIS N N 15 0.812 0.032 . . . . . 15541 2 22 . 2 1 34 34 ASP N N 15 0.877 0.018 . . . . . 15541 2 23 . 2 1 35 35 LYS N N 15 0.866 0.033 . . . . . 15541 2 24 . 2 1 36 36 PHE N N 15 0.872 0.025 . . . . . 15541 2 25 . 2 1 37 37 ALA N N 15 0.700 0.024 . . . . . 15541 2 26 . 2 1 39 39 GLY N N 15 0.687 0.042 . . . . . 15541 2 27 . 2 1 40 40 SER N N 15 0.698 0.036 . . . . . 15541 2 28 . 2 1 46 46 ALA N N 15 1.006 0.035 . . . . . 15541 2 29 . 2 1 47 47 ALA N N 15 0.961 0.011 . . . . . 15541 2 30 . 2 1 48 48 VAL N N 15 0.964 0.021 . . . . . 15541 2 31 . 2 1 50 50 GLN N N 15 0.930 0.044 . . . . . 15541 2 32 . 2 1 51 51 SER N N 15 0.896 0.050 . . . . . 15541 2 33 . 2 1 52 52 ALA N N 15 0.874 0.052 . . . . . 15541 2 34 . 2 1 53 53 THR N N 15 0.984 0.037 . . . . . 15541 2 35 . 2 1 54 54 ILE N N 15 1.064 0.031 . . . . . 15541 2 36 . 2 1 55 55 ASN N N 15 1.034 0.024 . . . . . 15541 2 37 . 2 1 56 56 GLN N N 15 1.088 0.029 . . . . . 15541 2 38 . 2 1 58 58 TRP N N 15 1.093 0.028 . . . . . 15541 2 39 . 2 1 59 59 GLN N N 15 1.092 0.022 . . . . . 15541 2 40 . 2 1 60 60 THR N N 15 1.123 0.029 . . . . . 15541 2 41 . 2 1 61 61 LEU N N 15 1.096 0.040 . . . . . 15541 2 42 . 2 1 62 62 ARG N N 15 0.977 0.023 . . . . . 15541 2 43 . 2 1 69 69 GLU N N 15 1.008 0.017 . . . . . 15541 2 44 . 2 1 70 70 TYR N N 15 0.958 0.029 . . . . . 15541 2 45 . 2 1 71 71 LEU N N 15 1.077 0.015 . . . . . 15541 2 46 . 2 1 72 72 LEU N N 15 1.005 0.024 . . . . . 15541 2 47 . 2 1 74 74 LEU N N 15 0.952 0.052 . . . . . 15541 2 48 . 2 1 75 75 HIS N N 15 1.019 0.044 . . . . . 15541 2 49 . 2 1 76 76 GLY N N 15 0.870 0.045 . . . . . 15541 2 50 . 2 1 78 78 ASP N N 15 0.733 0.036 . . . . . 15541 2 51 . 2 1 79 79 LEU N N 15 0.854 0.033 . . . . . 15541 2 52 . 2 1 81 81 SER N N 15 0.703 0.020 . . . . . 15541 2 53 . 2 1 82 82 GLU N N 15 0.677 0.038 . . . . . 15541 2 54 . 2 1 86 86 VAL N N 15 0.605 0.020 . . . . . 15541 2 55 . 2 1 90 90 ALA N N 15 0.774 0.028 . . . . . 15541 2 56 . 2 1 92 92 LEU N N 15 0.886 0.020 . . . . . 15541 2 57 . 2 1 93 93 MET N N 15 0.931 0.013 . . . . . 15541 2 58 . 2 1 95 95 GLN N N 15 1.013 0.010 . . . . . 15541 2 59 . 2 1 96 96 LEU N N 15 1.029 0.017 . . . . . 15541 2 60 . 2 1 98 98 LEU N N 15 1.027 0.028 . . . . . 15541 2 61 . 2 1 100 100 GLU N N 15 1.016 0.017 . . . . . 15541 2 62 . 2 1 101 101 GLU N N 15 1.084 0.040 . . . . . 15541 2 63 . 2 1 102 102 LEU N N 15 1.063 0.017 . . . . . 15541 2 64 . 2 1 103 103 ASP N N 15 1.042 0.034 . . . . . 15541 2 65 . 2 1 104 104 GLU N N 15 1.087 0.021 . . . . . 15541 2 66 . 2 1 105 105 ILE N N 15 1.071 0.035 . . . . . 15541 2 67 . 2 1 107 107 GLN N N 15 1.094 0.022 . . . . . 15541 2 68 . 2 1 108 108 ALA N N 15 1.124 0.011 . . . . . 15541 2 69 . 2 1 109 109 LYS N N 15 1.067 0.008 . . . . . 15541 2 70 . 2 1 110 110 ASP N N 15 1.065 0.004 . . . . . 15541 2 71 . 2 1 111 111 GLU N N 15 1.111 0.026 . . . . . 15541 2 72 . 2 1 112 112 ALA N N 15 1.128 0.017 . . . . . 15541 2 73 . 2 1 116 116 SER N N 15 1.112 0.036 . . . . . 15541 2 74 . 2 1 117 117 PHE N N 15 1.033 0.012 . . . . . 15541 2 75 . 2 1 118 118 ILE N N 15 1.047 0.018 . . . . . 15541 2 76 . 2 1 120 120 ARG N N 15 1.086 0.015 . . . . . 15541 2 77 . 2 1 122 122 LYS N N 15 1.135 0.016 . . . . . 15541 2 78 . 2 1 125 125 PHE N N 15 1.080 0.033 . . . . . 15541 2 79 . 2 1 126 126 ASP N N 15 1.121 0.019 . . . . . 15541 2 80 . 2 1 127 127 THR N N 15 1.031 0.034 . . . . . 15541 2 81 . 2 1 128 128 ARG N N 15 1.026 0.031 . . . . . 15541 2 82 . 2 1 129 129 HIS N N 15 1.049 0.028 . . . . . 15541 2 83 . 2 1 130 130 GLN N N 15 1.145 0.037 . . . . . 15541 2 84 . 2 1 131 131 LEU N N 15 1.154 0.010 . . . . . 15541 2 85 . 2 1 133 133 VAL N N 15 1.149 0.018 . . . . . 15541 2 86 . 2 1 134 134 GLU N N 15 1.207 0.021 . . . . . 15541 2 87 . 2 1 136 136 LEU N N 15 1.100 0.031 . . . . . 15541 2 88 . 2 1 137 137 ASP N N 15 1.194 0.012 . . . . . 15541 2 89 . 2 1 138 138 ASN N N 15 1.209 0.028 . . . . . 15541 2 90 . 2 1 140 140 THR N N 15 1.012 0.014 . . . . . 15541 2 91 . 2 1 141 141 TRP N N 15 1.140 0.041 . . . . . 15541 2 92 . 2 1 142 142 ASP N N 15 0.996 0.031 . . . . . 15541 2 93 . 2 1 143 143 ALA N N 15 1.166 0.015 . . . . . 15541 2 94 . 2 1 144 144 ALA N N 15 1.095 0.015 . . . . . 15541 2 95 . 2 1 145 145 ALA N N 15 1.040 0.028 . . . . . 15541 2 96 . 2 1 146 146 ASP N N 15 1.048 0.029 . . . . . 15541 2 97 . 2 1 147 147 THR N N 15 1.074 0.020 . . . . . 15541 2 98 . 2 1 148 148 VAL N N 15 1.052 0.026 . . . . . 15541 2 99 . 2 1 150 150 LYS N N 15 0.991 0.045 . . . . . 15541 2 100 . 2 1 151 151 LEU N N 15 1.029 0.023 . . . . . 15541 2 101 . 2 1 152 152 ARG N N 15 1.009 0.016 . . . . . 15541 2 102 . 2 1 153 153 PHE N N 15 1.002 0.013 . . . . . 15541 2 103 . 2 1 155 155 ASP N N 15 1.024 0.026 . . . . . 15541 2 104 . 2 1 156 156 LYS N N 15 1.026 0.016 . . . . . 15541 2 105 . 2 1 157 157 LEU N N 15 1.057 0.021 . . . . . 15541 2 106 . 2 1 158 158 ARG N N 15 1.030 0.005 . . . . . 15541 2 107 . 2 1 159 159 SER N N 15 1.021 0.023 . . . . . 15541 2 108 . 2 1 161 161 ALA N N 15 0.999 0.007 . . . . . 15541 2 109 . 2 1 162 162 GLU N N 15 1.063 0.018 . . . . . 15541 2 110 . 2 1 163 163 GLN N N 15 1.045 0.022 . . . . . 15541 2 111 . 2 1 166 166 GLU N N 15 1.056 0.017 . . . . . 15541 2 112 . 2 1 167 167 LYS N N 15 0.979 0.012 . . . . . 15541 2 113 . 2 1 169 169 LEU N N 15 0.866 0.010 . . . . . 15541 2 114 . 2 1 171 171 PHE N N 15 0.965 0.013 . . . . . 15541 2 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_1 _Heteronucl_T2_list.Entry_ID 15541 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type Nx _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details 'Two sets of T2 data sets were acquired, one month apart, on the same sample and at the same magnetic field strength for the purpose of error estimation.' _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 14 '2D 1H-15N HSQC' . . . 15541 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 1 $NMRPipe . . 15541 1 2 $SPARKY . . 15541 1 3 $VNMR . . 15541 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 . 2 1 3 3 TYR N N 15 0.033 0.001 . . . . . . . 15541 1 2 . 2 1 4 4 PHE N N 15 0.042 0.000 . . . . . . . 15541 1 3 . 2 1 5 5 THR N N 15 0.039 0.001 . . . . . . . 15541 1 4 . 2 1 6 6 LEU N N 15 0.040 0.002 . . . . . . . 15541 1 5 . 2 1 7 7 PHE N N 15 0.040 0.001 . . . . . . . 15541 1 6 . 2 1 8 8 GLY N N 15 0.044 0.000 . . . . . . . 15541 1 7 . 2 1 9 9 LEU N N 15 0.080 0.007 . . . . . . . 15541 1 8 . 2 1 11 11 ALA N N 15 0.044 0.000 . . . . . . . 15541 1 9 . 2 1 13 13 TYR N N 15 0.041 0.001 . . . . . . . 15541 1 10 . 2 1 14 14 GLN N N 15 0.040 0.001 . . . . . . . 15541 1 11 . 2 1 15 15 LEU N N 15 0.051 0.000 . . . . . . . 15541 1 12 . 2 1 19 19 ALA N N 15 0.041 0.000 . . . . . . . 15541 1 13 . 2 1 21 21 SER N N 15 0.042 0.000 . . . . . . . 15541 1 14 . 2 1 22 22 LEU N N 15 0.042 0.000 . . . . . . . 15541 1 15 . 2 1 24 24 PHE N N 15 0.037 0.001 . . . . . . . 15541 1 16 . 2 1 25 25 GLN N N 15 0.040 0.001 . . . . . . . 15541 1 17 . 2 1 26 26 ASP N N 15 0.038 0.000 . . . . . . . 15541 1 18 . 2 1 27 27 LEU N N 15 0.040 0.000 . . . . . . . 15541 1 19 . 2 1 28 28 GLN N N 15 0.040 0.000 . . . . . . . 15541 1 20 . 2 1 29 29 ARG N N 15 0.043 0.000 . . . . . . . 15541 1 21 . 2 1 32 32 HIS N N 15 0.057 0.000 . . . . . . . 15541 1 22 . 2 1 34 34 ASP N N 15 0.046 0.002 . . . . . . . 15541 1 23 . 2 1 35 35 LYS N N 15 0.043 0.001 . . . . . . . 15541 1 24 . 2 1 36 36 PHE N N 15 0.050 0.000 . . . . . . . 15541 1 25 . 2 1 37 37 ALA N N 15 0.062 0.001 . . . . . . . 15541 1 26 . 2 1 39 39 GLY N N 15 0.062 0.001 . . . . . . . 15541 1 27 . 2 1 40 40 SER N N 15 0.065 0.000 . . . . . . . 15541 1 28 . 2 1 46 46 ALA N N 15 0.040 0.000 . . . . . . . 15541 1 29 . 2 1 47 47 ALA N N 15 0.043 0.000 . . . . . . . 15541 1 30 . 2 1 48 48 VAL N N 15 0.047 0.001 . . . . . . . 15541 1 31 . 2 1 50 50 GLN N N 15 0.039 0.001 . . . . . . . 15541 1 32 . 2 1 51 51 SER N N 15 0.043 0.000 . . . . . . . 15541 1 33 . 2 1 52 52 ALA N N 15 0.040 0.000 . . . . . . . 15541 1 34 . 2 1 53 53 THR N N 15 0.036 0.000 . . . . . . . 15541 1 35 . 2 1 54 54 ILE N N 15 0.040 0.000 . . . . . . . 15541 1 36 . 2 1 55 55 ASN N N 15 0.038 0.000 . . . . . . . 15541 1 37 . 2 1 56 56 GLN N N 15 0.040 0.000 . . . . . . . 15541 1 38 . 2 1 58 58 TRP N N 15 0.038 0.000 . . . . . . . 15541 1 39 . 2 1 59 59 GLN N N 15 0.039 0.001 . . . . . . . 15541 1 40 . 2 1 60 60 THR N N 15 0.037 0.002 . . . . . . . 15541 1 41 . 2 1 61 61 LEU N N 15 0.035 0.001 . . . . . . . 15541 1 42 . 2 1 62 62 ARG N N 15 0.034 0.000 . . . . . . . 15541 1 43 . 2 1 69 69 GLU N N 15 0.040 0.001 . . . . . . . 15541 1 44 . 2 1 70 70 TYR N N 15 0.038 0.001 . . . . . . . 15541 1 45 . 2 1 71 71 LEU N N 15 0.043 0.001 . . . . . . . 15541 1 46 . 2 1 72 72 LEU N N 15 0.040 0.001 . . . . . . . 15541 1 47 . 2 1 74 74 LEU N N 15 0.040 0.001 . . . . . . . 15541 1 48 . 2 1 75 75 HIS N N 15 0.042 0.001 . . . . . . . 15541 1 49 . 2 1 76 76 GLY N N 15 0.043 0.001 . . . . . . . 15541 1 50 . 2 1 78 78 ASP N N 15 0.069 0.003 . . . . . . . 15541 1 51 . 2 1 79 79 LEU N N 15 0.054 0.001 . . . . . . . 15541 1 52 . 2 1 81 81 SER N N 15 0.070 0.001 . . . . . . . 15541 1 53 . 2 1 82 82 GLU N N 15 0.078 0.003 . . . . . . . 15541 1 54 . 2 1 86 86 VAL N N 15 0.077 0.001 . . . . . . . 15541 1 55 . 2 1 90 90 ALA N N 15 0.044 0.001 . . . . . . . 15541 1 56 . 2 1 92 92 LEU N N 15 0.039 0.001 . . . . . . . 15541 1 57 . 2 1 93 93 MET N N 15 0.043 0.000 . . . . . . . 15541 1 58 . 2 1 95 95 GLN N N 15 0.042 0.001 . . . . . . . 15541 1 59 . 2 1 96 96 LEU N N 15 0.036 0.001 . . . . . . . 15541 1 60 . 2 1 98 98 LEU N N 15 0.040 0.001 . . . . . . . 15541 1 61 . 2 1 100 100 GLU N N 15 0.039 0.000 . . . . . . . 15541 1 62 . 2 1 101 101 GLU N N 15 0.043 0.000 . . . . . . . 15541 1 63 . 2 1 102 102 LEU N N 15 0.042 0.001 . . . . . . . 15541 1 64 . 2 1 103 103 ASP N N 15 0.041 0.000 . . . . . . . 15541 1 65 . 2 1 104 104 GLU N N 15 0.041 0.000 . . . . . . . 15541 1 66 . 2 1 105 105 ILE N N 15 0.045 0.001 . . . . . . . 15541 1 67 . 2 1 107 107 GLN N N 15 0.040 0.000 . . . . . . . 15541 1 68 . 2 1 108 108 ALA N N 15 0.040 0.000 . . . . . . . 15541 1 69 . 2 1 109 109 LYS N N 15 0.041 0.000 . . . . . . . 15541 1 70 . 2 1 110 110 ASP N N 15 0.046 0.000 . . . . . . . 15541 1 71 . 2 1 111 111 GLU N N 15 0.043 0.001 . . . . . . . 15541 1 72 . 2 1 112 112 ALA N N 15 0.040 0.000 . . . . . . . 15541 1 73 . 2 1 116 116 SER N N 15 0.039 0.000 . . . . . . . 15541 1 74 . 2 1 117 117 PHE N N 15 0.039 0.000 . . . . . . . 15541 1 75 . 2 1 118 118 ILE N N 15 0.037 0.001 . . . . . . . 15541 1 76 . 2 1 120 120 ARG N N 15 0.042 0.000 . . . . . . . 15541 1 77 . 2 1 122 122 LYS N N 15 0.037 0.001 . . . . . . . 15541 1 78 . 2 1 125 125 PHE N N 15 0.039 0.001 . . . . . . . 15541 1 79 . 2 1 126 126 ASP N N 15 0.036 0.000 . . . . . . . 15541 1 80 . 2 1 127 127 THR N N 15 0.037 0.000 . . . . . . . 15541 1 81 . 2 1 128 128 ARG N N 15 0.042 0.001 . . . . . . . 15541 1 82 . 2 1 129 129 HIS N N 15 0.035 0.000 . . . . . . . 15541 1 83 . 2 1 130 130 GLN N N 15 0.036 0.001 . . . . . . . 15541 1 84 . 2 1 131 131 LEU N N 15 0.036 0.001 . . . . . . . 15541 1 85 . 2 1 133 133 VAL N N 15 0.037 0.001 . . . . . . . 15541 1 86 . 2 1 134 134 GLU N N 15 0.035 0.000 . . . . . . . 15541 1 87 . 2 1 136 136 LEU N N 15 0.038 0.001 . . . . . . . 15541 1 88 . 2 1 137 137 ASP N N 15 0.039 0.000 . . . . . . . 15541 1 89 . 2 1 138 138 ASN N N 15 0.039 0.000 . . . . . . . 15541 1 90 . 2 1 140 140 THR N N 15 0.044 0.000 . . . . . . . 15541 1 91 . 2 1 141 141 TRP N N 15 0.039 0.000 . . . . . . . 15541 1 92 . 2 1 142 142 ASP N N 15 0.043 0.000 . . . . . . . 15541 1 93 . 2 1 143 143 ALA N N 15 0.042 0.001 . . . . . . . 15541 1 94 . 2 1 144 144 ALA N N 15 0.036 0.001 . . . . . . . 15541 1 95 . 2 1 145 145 ALA N N 15 0.039 0.001 . . . . . . . 15541 1 96 . 2 1 146 146 ASP N N 15 0.040 0.000 . . . . . . . 15541 1 97 . 2 1 147 147 THR N N 15 0.038 0.001 . . . . . . . 15541 1 98 . 2 1 148 148 VAL N N 15 0.041 0.000 . . . . . . . 15541 1 99 . 2 1 150 150 LYS N N 15 0.038 0.001 . . . . . . . 15541 1 100 . 2 1 151 151 LEU N N 15 0.041 0.001 . . . . . . . 15541 1 101 . 2 1 152 152 ARG N N 15 0.039 0.001 . . . . . . . 15541 1 102 . 2 1 153 153 PHE N N 15 0.039 0.001 . . . . . . . 15541 1 103 . 2 1 155 155 ASP N N 15 0.038 0.001 . . . . . . . 15541 1 104 . 2 1 156 156 LYS N N 15 0.042 0.001 . . . . . . . 15541 1 105 . 2 1 157 157 LEU N N 15 0.043 0.000 . . . . . . . 15541 1 106 . 2 1 158 158 ARG N N 15 0.040 0.000 . . . . . . . 15541 1 107 . 2 1 159 159 SER N N 15 0.042 0.001 . . . . . . . 15541 1 108 . 2 1 161 161 ALA N N 15 0.041 0.001 . . . . . . . 15541 1 109 . 2 1 162 162 GLU N N 15 0.039 0.001 . . . . . . . 15541 1 110 . 2 1 163 163 GLN N N 15 0.042 0.000 . . . . . . . 15541 1 111 . 2 1 166 166 GLU N N 15 0.045 0.000 . . . . . . . 15541 1 112 . 2 1 167 167 LYS N N 15 0.052 0.000 . . . . . . . 15541 1 113 . 2 1 169 169 LEU N N 15 0.060 0.000 . . . . . . . 15541 1 114 . 2 1 171 171 PHE N N 15 0.294 0.012 . . . . . . . 15541 1 stop_ save_ save_heteronuclear_T2_list_2 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_2 _Heteronucl_T2_list.Entry_ID 15541 _Heteronucl_T2_list.ID 2 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method . _Heteronucl_T2_list.Temp_control_method . _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type Nx _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details 'Two sets of T2 data sets were acquired, one month apart, on the same sample and at the same magnetic field strength for the purpose of error estimation.' _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 14 '2D 1H-15N HSQC' . . . 15541 2 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 1 $NMRPipe . . 15541 2 2 $SPARKY . . 15541 2 3 $VNMR . . 15541 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 . 2 1 3 3 TYR N N 15 0.037 0.002 . . . . . . . 15541 2 2 . 2 1 4 4 PHE N N 15 0.042 0.001 . . . . . . . 15541 2 3 . 2 1 5 5 THR N N 15 0.039 0.001 . . . . . . . 15541 2 4 . 2 1 6 6 LEU N N 15 0.039 0.002 . . . . . . . 15541 2 5 . 2 1 7 7 PHE N N 15 0.039 0.001 . . . . . . . 15541 2 6 . 2 1 8 8 GLY N N 15 0.043 0.001 . . . . . . . 15541 2 7 . 2 1 9 9 LEU N N 15 0.078 0.005 . . . . . . . 15541 2 8 . 2 1 11 11 ALA N N 15 0.044 0.001 . . . . . . . 15541 2 9 . 2 1 13 13 TYR N N 15 0.042 0.001 . . . . . . . 15541 2 10 . 2 1 14 14 GLN N N 15 0.040 0.001 . . . . . . . 15541 2 11 . 2 1 15 15 LEU N N 15 0.049 0.000 . . . . . . . 15541 2 12 . 2 1 19 19 ALA N N 15 0.042 0.001 . . . . . . . 15541 2 13 . 2 1 21 21 SER N N 15 0.041 0.001 . . . . . . . 15541 2 14 . 2 1 22 22 LEU N N 15 0.040 0.000 . . . . . . . 15541 2 15 . 2 1 24 24 PHE N N 15 0.039 0.001 . . . . . . . 15541 2 16 . 2 1 25 25 GLN N N 15 0.038 0.000 . . . . . . . 15541 2 17 . 2 1 26 26 ASP N N 15 0.038 0.000 . . . . . . . 15541 2 18 . 2 1 27 27 LEU N N 15 0.040 0.000 . . . . . . . 15541 2 19 . 2 1 28 28 GLN N N 15 0.040 0.000 . . . . . . . 15541 2 20 . 2 1 29 29 ARG N N 15 0.043 0.000 . . . . . . . 15541 2 21 . 2 1 32 32 HIS N N 15 0.056 0.001 . . . . . . . 15541 2 22 . 2 1 34 34 ASP N N 15 0.044 0.001 . . . . . . . 15541 2 23 . 2 1 35 35 LYS N N 15 0.042 0.001 . . . . . . . 15541 2 24 . 2 1 36 36 PHE N N 15 0.049 0.000 . . . . . . . 15541 2 25 . 2 1 37 37 ALA N N 15 0.061 0.002 . . . . . . . 15541 2 26 . 2 1 39 39 GLY N N 15 0.058 0.001 . . . . . . . 15541 2 27 . 2 1 40 40 SER N N 15 0.061 0.002 . . . . . . . 15541 2 28 . 2 1 46 46 ALA N N 15 0.040 0.000 . . . . . . . 15541 2 29 . 2 1 47 47 ALA N N 15 0.042 0.000 . . . . . . . 15541 2 30 . 2 1 48 48 VAL N N 15 0.048 0.000 . . . . . . . 15541 2 31 . 2 1 50 50 GLN N N 15 0.039 0.000 . . . . . . . 15541 2 32 . 2 1 51 51 SER N N 15 0.041 0.001 . . . . . . . 15541 2 33 . 2 1 52 52 ALA N N 15 0.040 0.002 . . . . . . . 15541 2 34 . 2 1 53 53 THR N N 15 0.036 0.000 . . . . . . . 15541 2 35 . 2 1 54 54 ILE N N 15 0.039 0.000 . . . . . . . 15541 2 36 . 2 1 55 55 ASN N N 15 0.036 0.001 . . . . . . . 15541 2 37 . 2 1 56 56 GLN N N 15 0.040 0.000 . . . . . . . 15541 2 38 . 2 1 58 58 TRP N N 15 0.037 0.001 . . . . . . . 15541 2 39 . 2 1 59 59 GLN N N 15 0.038 0.000 . . . . . . . 15541 2 40 . 2 1 60 60 THR N N 15 0.038 0.002 . . . . . . . 15541 2 41 . 2 1 61 61 LEU N N 15 0.033 0.001 . . . . . . . 15541 2 42 . 2 1 62 62 ARG N N 15 0.033 0.001 . . . . . . . 15541 2 43 . 2 1 69 69 GLU N N 15 0.040 0.001 . . . . . . . 15541 2 44 . 2 1 70 70 TYR N N 15 0.039 0.000 . . . . . . . 15541 2 45 . 2 1 71 71 LEU N N 15 0.040 0.001 . . . . . . . 15541 2 46 . 2 1 72 72 LEU N N 15 0.039 0.001 . . . . . . . 15541 2 47 . 2 1 74 74 LEU N N 15 0.040 0.002 . . . . . . . 15541 2 48 . 2 1 75 75 HIS N N 15 0.040 0.001 . . . . . . . 15541 2 49 . 2 1 76 76 GLY N N 15 0.042 0.001 . . . . . . . 15541 2 50 . 2 1 78 78 ASP N N 15 0.073 0.003 . . . . . . . 15541 2 51 . 2 1 79 79 LEU N N 15 0.054 0.001 . . . . . . . 15541 2 52 . 2 1 81 81 SER N N 15 0.068 0.001 . . . . . . . 15541 2 53 . 2 1 82 82 GLU N N 15 0.073 0.007 . . . . . . . 15541 2 54 . 2 1 86 86 VAL N N 15 0.079 0.002 . . . . . . . 15541 2 55 . 2 1 90 90 ALA N N 15 0.044 0.001 . . . . . . . 15541 2 56 . 2 1 92 92 LEU N N 15 0.043 0.001 . . . . . . . 15541 2 57 . 2 1 93 93 MET N N 15 0.040 0.001 . . . . . . . 15541 2 58 . 2 1 95 95 GLN N N 15 0.041 0.000 . . . . . . . 15541 2 59 . 2 1 96 96 LEU N N 15 0.036 0.002 . . . . . . . 15541 2 60 . 2 1 98 98 LEU N N 15 0.040 0.001 . . . . . . . 15541 2 61 . 2 1 100 100 GLU N N 15 0.039 0.000 . . . . . . . 15541 2 62 . 2 1 101 101 GLU N N 15 0.042 0.000 . . . . . . . 15541 2 63 . 2 1 102 102 LEU N N 15 0.040 0.001 . . . . . . . 15541 2 64 . 2 1 103 103 ASP N N 15 0.041 0.000 . . . . . . . 15541 2 65 . 2 1 104 104 GLU N N 15 0.041 0.000 . . . . . . . 15541 2 66 . 2 1 105 105 ILE N N 15 0.042 0.001 . . . . . . . 15541 2 67 . 2 1 107 107 GLN N N 15 0.040 0.001 . . . . . . . 15541 2 68 . 2 1 108 108 ALA N N 15 0.039 0.001 . . . . . . . 15541 2 69 . 2 1 109 109 LYS N N 15 0.042 0.000 . . . . . . . 15541 2 70 . 2 1 110 110 ASP N N 15 0.046 0.000 . . . . . . . 15541 2 71 . 2 1 111 111 GLU N N 15 0.043 0.000 . . . . . . . 15541 2 72 . 2 1 112 112 ALA N N 15 0.040 0.000 . . . . . . . 15541 2 73 . 2 1 116 116 SER N N 15 0.038 0.000 . . . . . . . 15541 2 74 . 2 1 117 117 PHE N N 15 0.040 0.001 . . . . . . . 15541 2 75 . 2 1 118 118 ILE N N 15 0.039 0.000 . . . . . . . 15541 2 76 . 2 1 120 120 ARG N N 15 0.041 0.000 . . . . . . . 15541 2 77 . 2 1 122 122 LYS N N 15 0.039 0.001 . . . . . . . 15541 2 78 . 2 1 125 125 PHE N N 15 0.039 0.001 . . . . . . . 15541 2 79 . 2 1 126 126 ASP N N 15 0.036 0.000 . . . . . . . 15541 2 80 . 2 1 127 127 THR N N 15 0.037 0.000 . . . . . . . 15541 2 81 . 2 1 128 128 ARG N N 15 0.042 0.000 . . . . . . . 15541 2 82 . 2 1 129 129 HIS N N 15 0.036 0.001 . . . . . . . 15541 2 83 . 2 1 130 130 GLN N N 15 0.035 0.001 . . . . . . . 15541 2 84 . 2 1 131 131 LEU N N 15 0.035 0.000 . . . . . . . 15541 2 85 . 2 1 133 133 VAL N N 15 0.035 0.001 . . . . . . . 15541 2 86 . 2 1 134 134 GLU N N 15 0.034 0.000 . . . . . . . 15541 2 87 . 2 1 136 136 LEU N N 15 0.036 0.000 . . . . . . . 15541 2 88 . 2 1 137 137 ASP N N 15 0.038 0.000 . . . . . . . 15541 2 89 . 2 1 138 138 ASN N N 15 0.038 0.000 . . . . . . . 15541 2 90 . 2 1 140 140 THR N N 15 0.043 0.000 . . . . . . . 15541 2 91 . 2 1 141 141 TRP N N 15 0.039 0.001 . . . . . . . 15541 2 92 . 2 1 142 142 ASP N N 15 0.043 0.000 . . . . . . . 15541 2 93 . 2 1 143 143 ALA N N 15 0.041 0.000 . . . . . . . 15541 2 94 . 2 1 144 144 ALA N N 15 0.036 0.000 . . . . . . . 15541 2 95 . 2 1 145 145 ALA N N 15 0.038 0.001 . . . . . . . 15541 2 96 . 2 1 146 146 ASP N N 15 0.039 0.000 . . . . . . . 15541 2 97 . 2 1 147 147 THR N N 15 0.038 0.001 . . . . . . . 15541 2 98 . 2 1 148 148 VAL N N 15 0.039 0.000 . . . . . . . 15541 2 99 . 2 1 150 150 LYS N N 15 0.039 0.000 . . . . . . . 15541 2 100 . 2 1 151 151 LEU N N 15 0.040 0.001 . . . . . . . 15541 2 101 . 2 1 152 152 ARG N N 15 0.039 0.000 . . . . . . . 15541 2 102 . 2 1 153 153 PHE N N 15 0.039 0.001 . . . . . . . 15541 2 103 . 2 1 155 155 ASP N N 15 0.039 0.000 . . . . . . . 15541 2 104 . 2 1 156 156 LYS N N 15 0.040 0.000 . . . . . . . 15541 2 105 . 2 1 157 157 LEU N N 15 0.043 0.001 . . . . . . . 15541 2 106 . 2 1 158 158 ARG N N 15 0.038 0.000 . . . . . . . 15541 2 107 . 2 1 159 159 SER N N 15 0.042 0.000 . . . . . . . 15541 2 108 . 2 1 161 161 ALA N N 15 0.041 0.002 . . . . . . . 15541 2 109 . 2 1 162 162 GLU N N 15 0.038 0.000 . . . . . . . 15541 2 110 . 2 1 163 163 GLN N N 15 0.041 0.000 . . . . . . . 15541 2 111 . 2 1 166 166 GLU N N 15 0.044 0.000 . . . . . . . 15541 2 112 . 2 1 167 167 LYS N N 15 0.051 0.000 . . . . . . . 15541 2 113 . 2 1 169 169 LEU N N 15 0.058 0.000 . . . . . . . 15541 2 114 . 2 1 171 171 PHE N N 15 0.306 0.008 . . . . . . . 15541 2 stop_ save_