data_6005 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6005 _Entry.Title ; Structural Basis for Recognition of the mRNA Class II AU-Rich Element by the Tandem Zinc Finger Domain of TIS11d ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-11-13 _Entry.Accession_date 2003-11-14 _Entry.Last_release_date 2005-11-14 _Entry.Original_release_date 2005-11-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Brian Hudson . P. . 6005 2 Maria Martinez-Yamout . A. . 6005 3 H. Dyson . Jane . 6005 4 Peter Wright . E. . 6005 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 6005 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 282 6005 '15N chemical shifts' 70 6005 '1H chemical shifts' 483 6005 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-11-14 2003-11-13 original author . 6005 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1RGO 'BMRB Entry Tracking System' 6005 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6005 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14981510 _Citation.Full_citation . _Citation.Title ; Recognition of the mRNA AU-Rich Element by the Zinc Finger Domain of TIS11d ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 257 _Citation.Page_last 264 _Citation.Year 2004 _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 Brian Hudson . P. . 6005 1 2 Maria Martinez-Yamout . A. . 6005 1 3 H. Dyson . Jane . 6005 1 4 Peter Wright . E. . 6005 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID butyrate 6005 1 complex 6005 1 'degradation ARE UTR Nup475' 6005 1 ERF 6005 1 intercalate 6005 1 intercalation 6005 1 'response factor' 6005 1 single-stranded 6005 1 TIS11 6005 1 'TTP tristetraprolin RNA' 6005 1 stop_ save_ save_reference_6 _Citation.Sf_category citations _Citation.Sf_framecode reference_6 _Citation.Entry_ID 6005 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 7835719 _Citation.Full_citation ; 1: Nie XF, Maclean KN, Kumar V, McKay IA, Bustin SA. Gene. 1995 Jan 23;152(2):285-6. ; _Citation.Title 'ERF-2, the human homologue of the murine Tis11d early response gene.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Gene _Citation.Journal_name_full Gene _Citation.Journal_volume 152 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0378-1119 _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 285 _Citation.Page_last 286 _Citation.Year 1995 _Citation.Details ; A human cDNA specifying a member of the Tis11 early response gene family was cloned and sequenced. The human gene differs from its mouse homologue by encoding an additional 97 amino acids at its C-terminal end. The sequence has transactivation-like motifs, an unusual Cys-Ser-Ala-rich motif and displays sequence similarity at the extreme C-terminal end with another Tis11 family member, ERF-1. ; 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 'X. F.' Nie X. F. . 6005 2 2 'K. N.' Maclean K. N. . 6005 2 3 V. Kumar V. . . 6005 2 4 'I. A.' McKay I. A. . 6005 2 5 'S. A.' Bustin S. A. . 6005 2 stop_ save_ save_reference_22 _Citation.Sf_category citations _Citation.Sf_framecode reference_22 _Citation.Entry_ID 6005 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12639954 _Citation.Full_citation ; Nie XF, Maclean KN, Kumar V, McKay IA, Bustin SA. Gene. 1995 Jan 23;152(2):285-6. ; _Citation.Title 'Characteristics of the interaction of a synthetic human tristetraprolin tandem zinc finger peptide with AU-rich element-containing RNA substrates.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 278 _Citation.Journal_issue 22 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0021-9258 _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 19947 _Citation.Page_last 19955 _Citation.Year 2003 _Citation.Details ; Tristetraprolin (TTP) and its two known mammalian family members are tandem CCCH zinc finger proteins that can bind to AU-rich elements (AREs) in cellular mRNAs and destabilize those transcripts, apparently by initiating their deadenylation. Previous studies have shown that the approximately 70-amino acid tandem zinc finger domain of TTP is required and sufficient for RNA binding, and that the integrity of both zinc fingers is also required. However, little is known about the kinetics or structure of the peptide-RNA interaction, in part because of difficulties in obtaining soluble recombinant protein or peptides. We characterized the binding of a synthetic 73-amino acid peptide from human TTP to the tumor necrosis factor (TNF) ARE by gel mobility shift analyses and fluorescence anisotropy experiments. Both types of studies yielded a peptide-RNA dissociation constant of approximately 10 nM. Surprisingly, we found that the "footprint" from the TNF ARE required for peptide binding was only approximately 9 bases and that two molecules of peptide could bind to probes containing as little as 19 bases. An identical recombinant peptide exhibited gel shift characteristics similar to those of the synthetic peptide. NMR analysis of the 15N-labeled recombinant peptide suggested that its first zinc finger was structured in solution but that the second was not. The titration of oligonucleotides representing 17, 13, and even 9 bases of the TNF ARE caused an essentially identical, dramatic shift of existing resonances, and the appearance of new resonances in the peptide spectra, so that all amino acids could be assigned. These data suggest that this TTP peptide-RNA complex is structured in solution and might be amenable to NMR structure determination. ; 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 'Perry J.' Blackshear P. J. . 6005 3 2 'Wi S.' Lai W. S. . 6005 3 3 'Elizabeth A.' Kennington E. A. . 6005 3 4 Gary Brewer G. . . 6005 3 5 'Gerald M.' Wilson G. M. . 6005 3 6 Xiaoju Guan X. . . 6005 3 7 Pei Zhou P. . . 6005 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_TIS11d _Assembly.Sf_category assembly _Assembly.Sf_framecode system_TIS11d _Assembly.Entry_ID 6005 _Assembly.ID 1 _Assembly.Name "TIS11d TZF/ 5'-UUAUUUAUU-3' complex" _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all other bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6005 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'TIS11d TZF' 1 $TIS11d . . . native . . . . . 6005 1 2 5'-UUAUUUAUU-3' 2 $UUAUUUAUU . . . native . . . . . 6005 1 3 'ZINC (II) ION 1' 3 $ZN . . . native . . . . . 6005 1 4 'ZINC (II) ION 2' 3 $ZN . . . native . . . . . 6005 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 1 . 1 CYS 9 9 SG . 3 . 3 ZN 1 1 ZN . . . . . . . . . . 6005 1 2 coordination single . 1 . 1 CYS 18 18 SG . 3 . 3 ZN 1 1 ZN . . . . . . . . . . 6005 1 3 coordination single . 1 . 1 CYS 24 24 SG . 3 . 3 ZN 1 1 ZN . . . . . . . . . . 6005 1 4 coordination single . 1 . 1 HIS 28 28 NE2 . 3 . 3 ZN 1 1 ZN . . . . . . . . . . 6005 1 5 coordination single . 1 . 1 CYS 47 47 SG . 4 . 3 ZN 1 1 ZN . . . . . . . . . . 6005 1 6 coordination single . 1 . 1 CYS 56 56 SG . 4 . 3 ZN 1 1 ZN . . . . . . . . . . 6005 1 7 coordination single . 1 . 1 CYS 62 62 SG . 4 . 3 ZN 1 1 ZN . . . . . . . . . . 6005 1 8 coordination single . 1 . 1 HIS 66 66 NE2 . 4 . 3 ZN 1 1 ZN . . . . . . . . . . 6005 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1RGO . . . . . . 6005 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID TIS11d abbreviation 6005 1 "TIS11d TZF/ 5'-UUAUUUAUU-3' complex" system 6005 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'mRNA degradation' 6005 1 'single-stranded RNA binding' 6005 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TIS11d _Entity.Sf_category entity _Entity.Sf_framecode TIS11d _Entity.Entry_ID 6005 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'TIS11d TZF' _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 ; STRYKTELCRPFEESGTCKY GEKCQFAHGFHELRSLTRHP KYKTELCRTFHTIGFCPYGP RCHFIHNADE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8298 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Contains two CCCH (CX8CX5CX3H) zinc fingers separated by an 18-aa linker' _Entity.DB_query_date 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 yes PDB 1RGO . 'Structural Basis For Recognition Of The Mrna Class Ii Au- Rich Element By The Tandem Zinc Finger Domain Of Tis11d' . . . . . 100.00 70 100.00 100.00 2.45e-33 . . . . 6005 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID TIS11d abbreviation 6005 1 'TIS11d TZF' common 6005 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 1 151 SER . 6005 1 2 152 THR . 6005 1 3 153 ARG . 6005 1 4 154 TYR . 6005 1 5 155 LYS . 6005 1 6 156 THR . 6005 1 7 157 GLU . 6005 1 8 158 LEU . 6005 1 9 159 CYS . 6005 1 10 160 ARG . 6005 1 11 161 PRO . 6005 1 12 162 PHE . 6005 1 13 163 GLU . 6005 1 14 164 GLU . 6005 1 15 165 SER . 6005 1 16 166 GLY . 6005 1 17 167 THR . 6005 1 18 168 CYS . 6005 1 19 169 LYS . 6005 1 20 170 TYR . 6005 1 21 171 GLY . 6005 1 22 172 GLU . 6005 1 23 173 LYS . 6005 1 24 174 CYS . 6005 1 25 175 GLN . 6005 1 26 176 PHE . 6005 1 27 177 ALA . 6005 1 28 178 HIS . 6005 1 29 179 GLY . 6005 1 30 180 PHE . 6005 1 31 181 HIS . 6005 1 32 182 GLU . 6005 1 33 183 LEU . 6005 1 34 184 ARG . 6005 1 35 185 SER . 6005 1 36 186 LEU . 6005 1 37 187 THR . 6005 1 38 188 ARG . 6005 1 39 189 HIS . 6005 1 40 190 PRO . 6005 1 41 191 LYS . 6005 1 42 192 TYR . 6005 1 43 193 LYS . 6005 1 44 194 THR . 6005 1 45 195 GLU . 6005 1 46 196 LEU . 6005 1 47 197 CYS . 6005 1 48 198 ARG . 6005 1 49 199 THR . 6005 1 50 200 PHE . 6005 1 51 201 HIS . 6005 1 52 202 THR . 6005 1 53 203 ILE . 6005 1 54 204 GLY . 6005 1 55 205 PHE . 6005 1 56 206 CYS . 6005 1 57 207 PRO . 6005 1 58 208 TYR . 6005 1 59 209 GLY . 6005 1 60 210 PRO . 6005 1 61 211 ARG . 6005 1 62 212 CYS . 6005 1 63 213 HIS . 6005 1 64 214 PHE . 6005 1 65 215 ILE . 6005 1 66 216 HIS . 6005 1 67 217 ASN . 6005 1 68 218 ALA . 6005 1 69 219 ASP . 6005 1 70 220 GLU . 6005 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 . SER 1 1 6005 1 . THR 2 2 6005 1 . ARG 3 3 6005 1 . TYR 4 4 6005 1 . LYS 5 5 6005 1 . THR 6 6 6005 1 . GLU 7 7 6005 1 . LEU 8 8 6005 1 . CYS 9 9 6005 1 . ARG 10 10 6005 1 . PRO 11 11 6005 1 . PHE 12 12 6005 1 . GLU 13 13 6005 1 . GLU 14 14 6005 1 . SER 15 15 6005 1 . GLY 16 16 6005 1 . THR 17 17 6005 1 . CYS 18 18 6005 1 . LYS 19 19 6005 1 . TYR 20 20 6005 1 . GLY 21 21 6005 1 . GLU 22 22 6005 1 . LYS 23 23 6005 1 . CYS 24 24 6005 1 . GLN 25 25 6005 1 . PHE 26 26 6005 1 . ALA 27 27 6005 1 . HIS 28 28 6005 1 . GLY 29 29 6005 1 . PHE 30 30 6005 1 . HIS 31 31 6005 1 . GLU 32 32 6005 1 . LEU 33 33 6005 1 . ARG 34 34 6005 1 . SER 35 35 6005 1 . LEU 36 36 6005 1 . THR 37 37 6005 1 . ARG 38 38 6005 1 . HIS 39 39 6005 1 . PRO 40 40 6005 1 . LYS 41 41 6005 1 . TYR 42 42 6005 1 . LYS 43 43 6005 1 . THR 44 44 6005 1 . GLU 45 45 6005 1 . LEU 46 46 6005 1 . CYS 47 47 6005 1 . ARG 48 48 6005 1 . THR 49 49 6005 1 . PHE 50 50 6005 1 . HIS 51 51 6005 1 . THR 52 52 6005 1 . ILE 53 53 6005 1 . GLY 54 54 6005 1 . PHE 55 55 6005 1 . CYS 56 56 6005 1 . PRO 57 57 6005 1 . TYR 58 58 6005 1 . GLY 59 59 6005 1 . PRO 60 60 6005 1 . ARG 61 61 6005 1 . CYS 62 62 6005 1 . HIS 63 63 6005 1 . PHE 64 64 6005 1 . ILE 65 65 6005 1 . HIS 66 66 6005 1 . ASN 67 67 6005 1 . ALA 68 68 6005 1 . ASP 69 69 6005 1 . GLU 70 70 6005 1 stop_ save_ save_UUAUUUAUU _Entity.Sf_category entity _Entity.Sf_framecode UUAUUUAUU _Entity.Entry_ID 6005 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 5'-UUAUUUAUU-3' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code UUAUUUAUU _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2830 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 5'-UUAUUUAUU-3' common 6005 2 UUAUUUAUU abbreviation 6005 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 . U . 6005 2 2 . U . 6005 2 3 . A . 6005 2 4 . U . 6005 2 5 . U . 6005 2 6 . U . 6005 2 7 . A . 6005 2 8 . U . 6005 2 9 . U . 6005 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 . U 1 1 6005 2 . U 2 2 6005 2 . A 3 3 6005 2 . U 4 4 6005 2 . U 5 5 6005 2 . U 6 6 6005 2 . A 7 7 6005 2 . U 8 8 6005 2 . U 9 9 6005 2 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 6005 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 6005 3 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 6005 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $TIS11d . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . liver . . . . . . . . . . . . . . . . . 6005 1 2 2 $UUAUUUAUU . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6005 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 6005 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $TIS11d . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET21a . . . . . . 6005 1 2 2 $UUAUUUAUU . vendor . . . . . . . . . . . . . . . . . . . . . . . . . . 'synthesized by Dharmacon, Inc.' . . 6005 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 6005 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jul 25 12:26:23 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 6005 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 6005 ZN [Zn++] SMILES CACTVS 3.341 6005 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 6005 ZN [Zn+2] SMILES ACDLabs 10.04 6005 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 6005 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6005 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 6005 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6005 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 6005 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6005 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'TIS11d TZF' [U-15N] . . 1 $TIS11d . . 0.5 . . mM . . . . 6005 1 2 5'-UUAUUUAUU-3' . . . 2 $UUAUUUAUU . . 0.5 . . mM . . . . 6005 1 3 TrisHCl . . . . . . . 10 . . mM . . . . 6005 1 4 KCl . . . . . . . 20 . . mM . . . . 6005 1 5 DTT . . . . . . . 2.5 . . mM . . . . 6005 1 6 ZnSO4 . . . . . . . 25 . . uM . . . . 6005 1 7 H20 . . . . . . . 95 . . % . . . . 6005 1 8 D2O . . . . . . . 5 . . % . . . . 6005 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6005 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'TIS11d TZF' '[U-13C; U-15N]' . . 1 $TIS11d . . 0.5 . . mM . . . . 6005 2 2 5'-UUAUUUAUU-3' . . . 2 $UUAUUUAUU . . 0.5 . . mM . . . . 6005 2 3 TrisHCl . . . . . . . 10 . . mM . . . . 6005 2 4 KCl . . . . . . . 20 . . mM . . . . 6005 2 5 DTT . . . . . . . 2.5 . . mM . . . . 6005 2 6 ZnSO4 . . . . . . . 25 . . uM . . . . 6005 2 7 H20 . . . . . . . 95 . . % . . . . 6005 2 8 D2O . . . . . . . 5 . . % . . . . 6005 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6005 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'TIS11d TZF' '[U-13C; U-15N]' . . 1 $TIS11d . . 0.5 . . mM . . . . 6005 3 2 5'-UUAUUUAUU-3' . . . 2 $UUAUUUAUU . . 0.5 . . mM . . . . 6005 3 3 Tris-HCl . . . . . . . 10 . . mM . . . . 6005 3 4 KCl . . . . . . . 20 . . mM . . . . 6005 3 5 DTT . . . . . . . 2.5 . . mM . . . . 6005 3 6 ZnSO4 . . . . . . . 25 . . uM . . . . 6005 3 7 D2O . . . . . . . 100 . . % . . . . 6005 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 6005 _Sample.ID 4 _Sample.Type d_bicell_solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'TIS11d TZF' '[U-13C; U-15N]' . . 1 $TIS11d . . 0.5 . . mM . . . . 6005 4 2 5'-UUAUUUAUU-3' . . . 2 $UUAUUUAUU . . 0.5 . . mM . . . . 6005 4 3 TrisHCl . . . . . . . 10 . . mM . . . . 6005 4 4 KCl . . . . . . . 20 . . mM . . . . 6005 4 5 DTT . . . . . . . 2.5 . . mM . . . . 6005 4 6 ZnSO4 . . . . . . . 25 . . uM . . . . 6005 4 7 'Pf1 filamentous phage' . . . . . . . 12 . . mg/mL . . . . 6005 4 8 D2O . . . . . . . 100 . . % . . . . 6005 4 stop_ save_ ####################### # Sample conditions # ####################### save_Conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Conditions_1 _Sample_condition_list.Entry_ID 6005 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.02 . M 6005 1 pH 6.2 0.1 pH 6005 1 temperature 298 0.5 K 6005 1 stop_ save_ save_Conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Conditions_2 _Sample_condition_list.Entry_ID 6005 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.02 . M 6005 2 pH 6.2 0.1 pH 6005 2 temperature 298 0.5 K 6005 2 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6005 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.1 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data collection' 6005 1 stop_ save_ save_NMRpipe _Software.Sf_category software _Software.Sf_framecode NMRpipe _Software.Entry_ID 6005 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.1 _Software.Details ; Delaglio, F., Grzesiek, S., Vuister, G.W., Guang, Z., Pfeifer, J. and Bax, A. (1995) J. Biomol. NMR 6, 277-293 ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 6005 2 stop_ save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 6005 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0 _Software.Details ; Johnson, B.A. and Blevins, R.A. (1994) J. Biomol. NMR 4, 603-614 ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6005 3 stop_ save_ save_SANE _Software.Sf_category software _Software.Sf_framecode SANE _Software.Entry_ID 6005 _Software.ID 4 _Software.Name SANE _Software.Version n/a _Software.Details ; Duggan, B.M., Legge, G.B., Dyson, H.J., & Wright, P.E. (2001) J. Biomol. NMR 19, 321-329 In-house developed software ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'automatic NOE assignment' 6005 4 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 6005 _Software.ID 5 _Software.Name DYANA _Software.Version 1.5 _Software.Details ; Gunter, P., Mumenthaler, C. and Wuthrich, K. (1997) J. Mol. Biol. 273, 283-298 ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure determination' 6005 5 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 6005 _Software.ID 6 _Software.Name AMBER _Software.Version 8.0 _Software.Details ; Case, D.A., Pearlman, D.A., Caldwell, J.W., Cheatham III, T.E., Wang, J., Ross, W.S. Simmerling, C., Darden, T., Merz, K.M., Stanton, R.V., Cheng, A., Vincent, J.J. Crowley, M., Tsui, V., Gohlke, H., Radmer, R., et al. and Kollman, P.A. (1999) University of California, San Francisco. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure refinement' 6005 6 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 6005 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 6005 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 6005 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6005 _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 Bruker Avance . 600 . . . 6005 1 2 spectrometer_2 Bruker DMX . 750 . . . 6005 1 3 spectrometer_3 Bruker Avance . 900 . . . 6005 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 6005 _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 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6005 1 2 1H-15N-HMQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6005 1 3 1H-13C-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6005 1 4 1H-13C-CT-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6005 1 5 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6005 1 6 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6005 1 7 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6005 1 8 C(CO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6005 1 9 H(CCO)NH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6005 1 10 CCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6005 1 11 CCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6005 1 12 H(C)CH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6005 1 13 H(C)CH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6005 1 14 (HB)CB(CGCD)HD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6005 1 15 (HB)CB(CGCDCE)HE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6005 1 16 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6005 1 17 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6005 1 18 '3D 13C F1-edited, F3-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6005 1 19 '2D 13C double-half-filtered NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6005 1 20 '2D 13C double-half-filtered TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6005 1 21 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6005 1 22 HNHB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6005 1 23 HACAHB-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6005 1 24 '13C-{13CO} spin-echo difference CT-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6005 1 25 '13C-{15N} spin-echo difference CT-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6005 1 26 IPAP-[1H,15N]-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6005 1 27 IPAP-HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6005 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6005 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 external direct 0.251449530 . . . . . . . . . 6005 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.00000 . . . . . . . . . 6005 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external direct 0.101329118 . . . . . . . . . 6005 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_protein_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode protein_shifts _Assigned_chem_shift_list.Entry_ID 6005 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6005 1 . . 3 $sample_3 . 6005 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 THR CA C 13 62.281 0.08 . 1 . . . . . . . . 6005 1 2 . 1 1 2 2 THR CB C 13 69.097 0.08 . 1 . . . . . . . . 6005 1 3 . 1 1 2 2 THR CG2 C 13 21.384 0.08 . 1 . . . . . . . . 6005 1 4 . 1 1 2 2 THR HA H 1 4.368 0.02 . 1 . . . . . . . . 6005 1 5 . 1 1 2 2 THR HB H 1 4.257 0.02 . 1 . . . . . . . . 6005 1 6 . 1 1 2 2 THR HG21 H 1 1.243 0.02 . 1 . . . . . . . . 6005 1 7 . 1 1 2 2 THR HG22 H 1 1.243 0.02 . 1 . . . . . . . . 6005 1 8 . 1 1 2 2 THR HG23 H 1 1.243 0.02 . 1 . . . . . . . . 6005 1 9 . 1 1 2 2 THR C C 13 176.609 0.08 . 1 . . . . . . . . 6005 1 10 . 1 1 3 3 ARG CG C 13 27.565 0.08 . 1 . . . . . . . . 6005 1 11 . 1 1 3 3 ARG H H 1 8.368 0.02 . 1 . . . . . . . . 6005 1 12 . 1 1 3 3 ARG HA H 1 4.100 0.02 . 1 . . . . . . . . 6005 1 13 . 1 1 3 3 ARG HB3 H 1 1.482 0.02 . 2 . . . . . . . . 6005 1 14 . 1 1 3 3 ARG HB2 H 1 1.250 0.02 . 2 . . . . . . . . 6005 1 15 . 1 1 3 3 ARG HD3 H 1 3.223 0.02 . 2 . . . . . . . . 6005 1 16 . 1 1 3 3 ARG HD2 H 1 3.128 0.02 . 2 . . . . . . . . 6005 1 17 . 1 1 3 3 ARG HE H 1 7.075 0.02 . 1 . . . . . . . . 6005 1 18 . 1 1 3 3 ARG HG3 H 1 1.606 0.02 . 2 . . . . . . . . 6005 1 19 . 1 1 3 3 ARG HG2 H 1 1.474 0.02 . 2 . . . . . . . . 6005 1 20 . 1 1 3 3 ARG N N 15 120.796 0.07 . 1 . . . . . . . . 6005 1 21 . 1 1 3 3 ARG NE N 15 115.589 0.07 . 1 . . . . . . . . 6005 1 22 . 1 1 3 3 ARG CA C 13 55.266 0.08 . 1 . . . . . . . . 6005 1 23 . 1 1 3 3 ARG CB C 13 29.490 0.08 . 1 . . . . . . . . 6005 1 24 . 1 1 3 3 ARG CD C 13 42.808 0.08 . 1 . . . . . . . . 6005 1 25 . 1 1 3 3 ARG C C 13 175.917 0.08 . 1 . . . . . . . . 6005 1 26 . 1 1 4 4 TYR CA C 13 59.056 0.08 . 1 . . . . . . . . 6005 1 27 . 1 1 4 4 TYR CB C 13 39.186 0.08 . 1 . . . . . . . . 6005 1 28 . 1 1 4 4 TYR CD1 C 13 132.617 0.08 . 3 . . . . . . . . 6005 1 29 . 1 1 4 4 TYR CE1 C 13 117.293 0.08 . 3 . . . . . . . . 6005 1 30 . 1 1 4 4 TYR H H 1 7.329 0.02 . 1 . . . . . . . . 6005 1 31 . 1 1 4 4 TYR HA H 1 3.910 0.02 . 1 . . . . . . . . 6005 1 32 . 1 1 4 4 TYR HB2 H 1 3.058 0.02 . 1 . . . . . . . . 6005 1 33 . 1 1 4 4 TYR HB3 H 1 2.587 0.02 . 1 . . . . . . . . 6005 1 34 . 1 1 4 4 TYR N N 15 123.822 0.07 . 1 . . . . . . . . 6005 1 35 . 1 1 4 4 TYR HD1 H 1 6.935 0.02 . 1 . . . . . . . . 6005 1 36 . 1 1 4 4 TYR HD2 H 1 6.935 0.02 . 1 . . . . . . . . 6005 1 37 . 1 1 4 4 TYR HE1 H 1 6.671 0.02 . 1 . . . . . . . . 6005 1 38 . 1 1 4 4 TYR HE2 H 1 6.671 0.02 . 1 . . . . . . . . 6005 1 39 . 1 1 4 4 TYR C C 13 173.884 0.08 . 1 . . . . . . . . 6005 1 40 . 1 1 5 5 LYS CA C 13 58.859 0.08 . 1 . . . . . . . . 6005 1 41 . 1 1 5 5 LYS CB C 13 29.822 0.08 . 1 . . . . . . . . 6005 1 42 . 1 1 5 5 LYS CD C 13 29.992 0.08 . 1 . . . . . . . . 6005 1 43 . 1 1 5 5 LYS CE C 13 42.369 0.08 . 1 . . . . . . . . 6005 1 44 . 1 1 5 5 LYS CG C 13 26.560 0.08 . 1 . . . . . . . . 6005 1 45 . 1 1 5 5 LYS H H 1 8.168 0.02 . 1 . . . . . . . . 6005 1 46 . 1 1 5 5 LYS HA H 1 3.251 0.02 . 1 . . . . . . . . 6005 1 47 . 1 1 5 5 LYS HB3 H 1 1.073 0.02 . 2 . . . . . . . . 6005 1 48 . 1 1 5 5 LYS HB2 H 1 0.975 0.02 . 2 . . . . . . . . 6005 1 49 . 1 1 5 5 LYS HE3 H 1 2.881 0.02 . 2 . . . . . . . . 6005 1 50 . 1 1 5 5 LYS HE2 H 1 2.477 0.02 . 2 . . . . . . . . 6005 1 51 . 1 1 5 5 LYS HG3 H 1 -0.280 0.02 . 2 . . . . . . . . 6005 1 52 . 1 1 5 5 LYS HG2 H 1 -0.475 0.02 . 2 . . . . . . . . 6005 1 53 . 1 1 5 5 LYS N N 15 122.688 0.07 . 1 . . . . . . . . 6005 1 54 . 1 1 5 5 LYS HD3 H 1 1.726 0.02 . 1 . . . . . . . . 6005 1 55 . 1 1 5 5 LYS HD2 H 1 1.726 0.02 . 1 . . . . . . . . 6005 1 56 . 1 1 5 5 LYS C C 13 173.383 0.08 . 1 . . . . . . . . 6005 1 57 . 1 1 6 6 THR CA C 13 61.880 0.08 . 1 . . . . . . . . 6005 1 58 . 1 1 6 6 THR CB C 13 70.477 0.08 . 1 . . . . . . . . 6005 1 59 . 1 1 6 6 THR CG2 C 13 29.870 0.08 . 1 . . . . . . . . 6005 1 60 . 1 1 6 6 THR H H 1 7.501 0.02 . 1 . . . . . . . . 6005 1 61 . 1 1 6 6 THR HA H 1 4.614 0.02 . 1 . . . . . . . . 6005 1 62 . 1 1 6 6 THR HB H 1 4.265 0.02 . 1 . . . . . . . . 6005 1 63 . 1 1 6 6 THR N N 15 106.465 0.07 . 1 . . . . . . . . 6005 1 64 . 1 1 6 6 THR HG21 H 1 0.924 0.02 . 1 . . . . . . . . 6005 1 65 . 1 1 6 6 THR HG22 H 1 0.924 0.02 . 1 . . . . . . . . 6005 1 66 . 1 1 6 6 THR HG23 H 1 0.924 0.02 . 1 . . . . . . . . 6005 1 67 . 1 1 6 6 THR C C 13 174.637 0.08 . 1 . . . . . . . . 6005 1 68 . 1 1 7 7 GLU CA C 13 54.611 0.08 . 1 . . . . . . . . 6005 1 69 . 1 1 7 7 GLU CB C 13 34.692 0.08 . 1 . . . . . . . . 6005 1 70 . 1 1 7 7 GLU CG C 13 37.240 0.08 . 1 . . . . . . . . 6005 1 71 . 1 1 7 7 GLU H H 1 9.025 0.02 . 1 . . . . . . . . 6005 1 72 . 1 1 7 7 GLU HA H 1 4.680 0.02 . 1 . . . . . . . . 6005 1 73 . 1 1 7 7 GLU HG3 H 1 2.534 0.02 . 2 . . . . . . . . 6005 1 74 . 1 1 7 7 GLU HG2 H 1 2.472 0.02 . 2 . . . . . . . . 6005 1 75 . 1 1 7 7 GLU N N 15 126.389 0.07 . 1 . . . . . . . . 6005 1 76 . 1 1 7 7 GLU HB3 H 1 2.166 0.02 . 1 . . . . . . . . 6005 1 77 . 1 1 7 7 GLU HB2 H 1 2.166 0.02 . 1 . . . . . . . . 6005 1 78 . 1 1 7 7 GLU C C 13 175.273 0.08 . 1 . . . . . . . . 6005 1 79 . 1 1 8 8 LEU CA C 13 55.653 0.08 . 1 . . . . . . . . 6005 1 80 . 1 1 8 8 LEU CB C 13 41.905 0.08 . 1 . . . . . . . . 6005 1 81 . 1 1 8 8 LEU CD1 C 13 25.711 0.08 . 2 . . . . . . . . 6005 1 82 . 1 1 8 8 LEU CD2 C 13 22.155 0.08 . 2 . . . . . . . . 6005 1 83 . 1 1 8 8 LEU CG C 13 26.862 0.08 . 1 . . . . . . . . 6005 1 84 . 1 1 8 8 LEU H H 1 8.882 0.02 . 1 . . . . . . . . 6005 1 85 . 1 1 8 8 LEU HA H 1 4.383 0.02 . 1 . . . . . . . . 6005 1 86 . 1 1 8 8 LEU HB2 H 1 1.800 0.02 . 1 . . . . . . . . 6005 1 87 . 1 1 8 8 LEU HB3 H 1 1.468 0.02 . 1 . . . . . . . . 6005 1 88 . 1 1 8 8 LEU HG H 1 1.787 0.02 . 1 . . . . . . . . 6005 1 89 . 1 1 8 8 LEU N N 15 125.966 0.07 . 1 . . . . . . . . 6005 1 90 . 1 1 8 8 LEU HD11 H 1 0.915 0.02 . 4 . . . . . . . . 6005 1 91 . 1 1 8 8 LEU HD12 H 1 0.915 0.02 . 4 . . . . . . . . 6005 1 92 . 1 1 8 8 LEU HD13 H 1 0.915 0.02 . 4 . . . . . . . . 6005 1 93 . 1 1 8 8 LEU HD21 H 1 0.642 0.02 . 4 . . . . . . . . 6005 1 94 . 1 1 8 8 LEU HD22 H 1 0.642 0.02 . 4 . . . . . . . . 6005 1 95 . 1 1 8 8 LEU HD23 H 1 0.642 0.02 . 4 . . . . . . . . 6005 1 96 . 1 1 8 8 LEU C C 13 177.058 0.08 . 1 . . . . . . . . 6005 1 97 . 1 1 9 9 CYS CA C 13 59.313 0.08 . 1 . . . . . . . . 6005 1 98 . 1 1 9 9 CYS CB C 13 31.864 0.08 . 1 . . . . . . . . 6005 1 99 . 1 1 9 9 CYS H H 1 9.672 0.02 . 1 . . . . . . . . 6005 1 100 . 1 1 9 9 CYS HA H 1 4.761 0.02 . 1 . . . . . . . . 6005 1 101 . 1 1 9 9 CYS HB2 H 1 3.243 0.02 . 1 . . . . . . . . 6005 1 102 . 1 1 9 9 CYS HB3 H 1 2.801 0.02 . 1 . . . . . . . . 6005 1 103 . 1 1 9 9 CYS N N 15 128.914 0.07 . 1 . . . . . . . . 6005 1 104 . 1 1 9 9 CYS C C 13 176.962 0.08 . 1 . . . . . . . . 6005 1 105 . 1 1 10 10 ARG HG3 H 1 1.785 0.02 . 2 . . . . . . . . 6005 1 106 . 1 1 10 10 ARG HG2 H 1 1.739 0.02 . 2 . . . . . . . . 6005 1 107 . 1 1 10 10 ARG N N 15 106.073 0.07 . 1 . . . . . . . . 6005 1 108 . 1 1 10 10 ARG NE N 15 114.400 0.07 . 1 . . . . . . . . 6005 1 109 . 1 1 10 10 ARG CA C 13 60.739 0.08 . 1 . . . . . . . . 6005 1 110 . 1 1 10 10 ARG CB C 13 27.938 0.08 . 1 . . . . . . . . 6005 1 111 . 1 1 10 10 ARG CD C 13 42.982 0.08 . 1 . . . . . . . . 6005 1 112 . 1 1 10 10 ARG CG C 13 27.118 0.08 . 1 . . . . . . . . 6005 1 113 . 1 1 10 10 ARG H H 1 10.880 0.02 . 1 . . . . . . . . 6005 1 114 . 1 1 10 10 ARG HA H 1 4.380 0.02 . 1 . . . . . . . . 6005 1 115 . 1 1 10 10 ARG HB3 H 1 1.775 0.02 . 2 . . . . . . . . 6005 1 116 . 1 1 10 10 ARG HB2 H 1 1.561 0.02 . 2 . . . . . . . . 6005 1 117 . 1 1 10 10 ARG HD3 H 1 3.117 0.02 . 2 . . . . . . . . 6005 1 118 . 1 1 10 10 ARG HD2 H 1 2.988 0.02 . 2 . . . . . . . . 6005 1 119 . 1 1 10 10 ARG HE H 1 7.150 0.02 . 1 . . . . . . . . 6005 1 120 . 1 1 11 11 PRO CA C 13 66.518 0.08 . 1 . . . . . . . . 6005 1 121 . 1 1 11 11 PRO CB C 13 31.471 0.08 . 1 . . . . . . . . 6005 1 122 . 1 1 11 11 PRO CD C 13 50.198 0.08 . 1 . . . . . . . . 6005 1 123 . 1 1 11 11 PRO CG C 13 28.773 0.08 . 1 . . . . . . . . 6005 1 124 . 1 1 11 11 PRO HA H 1 4.454 0.02 . 1 . . . . . . . . 6005 1 125 . 1 1 11 11 PRO HB3 H 1 2.480 0.02 . 2 . . . . . . . . 6005 1 126 . 1 1 11 11 PRO HB2 H 1 2.199 0.02 . 2 . . . . . . . . 6005 1 127 . 1 1 11 11 PRO HD3 H 1 5.197 0.02 . 2 . . . . . . . . 6005 1 128 . 1 1 11 11 PRO HD2 H 1 3.525 0.02 . 2 . . . . . . . . 6005 1 129 . 1 1 11 11 PRO HG3 H 1 2.696 0.02 . 2 . . . . . . . . 6005 1 130 . 1 1 11 11 PRO HG2 H 1 2.048 0.02 . 2 . . . . . . . . 6005 1 131 . 1 1 11 11 PRO C C 13 180.037 0.08 . 1 . . . . . . . . 6005 1 132 . 1 1 12 12 PHE CA C 13 62.581 0.08 . 1 . . . . . . . . 6005 1 133 . 1 1 12 12 PHE CB C 13 37.933 0.08 . 1 . . . . . . . . 6005 1 134 . 1 1 12 12 PHE CD1 C 13 130.170 0.08 . 3 . . . . . . . . 6005 1 135 . 1 1 12 12 PHE CE1 C 13 130.436 0.08 . 3 . . . . . . . . 6005 1 136 . 1 1 12 12 PHE H H 1 8.964 0.02 . 1 . . . . . . . . 6005 1 137 . 1 1 12 12 PHE HA H 1 3.813 0.02 . 1 . . . . . . . . 6005 1 138 . 1 1 12 12 PHE HB2 H 1 3.213 0.02 . 1 . . . . . . . . 6005 1 139 . 1 1 12 12 PHE HB3 H 1 3.283 0.02 . 1 . . . . . . . . 6005 1 140 . 1 1 12 12 PHE HZ H 1 6.057 0.02 . 1 . . . . . . . . 6005 1 141 . 1 1 12 12 PHE N N 15 123.039 0.07 . 1 . . . . . . . . 6005 1 142 . 1 1 12 12 PHE HD1 H 1 6.752 0.02 . 1 . . . . . . . . 6005 1 143 . 1 1 12 12 PHE HD2 H 1 6.752 0.02 . 1 . . . . . . . . 6005 1 144 . 1 1 12 12 PHE HE1 H 1 7.111 0.02 . 1 . . . . . . . . 6005 1 145 . 1 1 12 12 PHE HE2 H 1 7.111 0.02 . 1 . . . . . . . . 6005 1 146 . 1 1 12 12 PHE C C 13 179.630 0.08 . 1 . . . . . . . . 6005 1 147 . 1 1 13 13 GLU CA C 13 58.777 0.08 . 1 . . . . . . . . 6005 1 148 . 1 1 13 13 GLU CB C 13 30.224 0.08 . 1 . . . . . . . . 6005 1 149 . 1 1 13 13 GLU CG C 13 36.423 0.08 . 1 . . . . . . . . 6005 1 150 . 1 1 13 13 GLU H H 1 8.648 0.02 . 1 . . . . . . . . 6005 1 151 . 1 1 13 13 GLU HA H 1 4.017 0.02 . 1 . . . . . . . . 6005 1 152 . 1 1 13 13 GLU HB3 H 1 2.370 0.02 . 2 . . . . . . . . 6005 1 153 . 1 1 13 13 GLU HB2 H 1 2.248 0.02 . 2 . . . . . . . . 6005 1 154 . 1 1 13 13 GLU HG3 H 1 2.584 0.02 . 2 . . . . . . . . 6005 1 155 . 1 1 13 13 GLU HG2 H 1 2.388 0.02 . 2 . . . . . . . . 6005 1 156 . 1 1 13 13 GLU N N 15 122.341 0.07 . 1 . . . . . . . . 6005 1 157 . 1 1 13 13 GLU C C 13 178.737 0.08 . 1 . . . . . . . . 6005 1 158 . 1 1 14 14 GLU CA C 13 58.437 0.08 . 1 . . . . . . . . 6005 1 159 . 1 1 14 14 GLU CB C 13 30.396 0.08 . 1 . . . . . . . . 6005 1 160 . 1 1 14 14 GLU CG C 13 36.319 0.08 . 1 . . . . . . . . 6005 1 161 . 1 1 14 14 GLU H H 1 8.469 0.02 . 1 . . . . . . . . 6005 1 162 . 1 1 14 14 GLU HA H 1 4.125 0.02 . 1 . . . . . . . . 6005 1 163 . 1 1 14 14 GLU HB2 H 1 2.037 0.02 . 1 . . . . . . . . 6005 1 164 . 1 1 14 14 GLU HB3 H 1 2.118 0.02 . 1 . . . . . . . . 6005 1 165 . 1 1 14 14 GLU HG3 H 1 2.443 0.02 . 2 . . . . . . . . 6005 1 166 . 1 1 14 14 GLU HG2 H 1 2.254 0.02 . 2 . . . . . . . . 6005 1 167 . 1 1 14 14 GLU N N 15 117.440 0.07 . 1 . . . . . . . . 6005 1 168 . 1 1 14 14 GLU C C 13 178.704 0.08 . 1 . . . . . . . . 6005 1 169 . 1 1 15 15 SER CA C 13 58.638 0.08 . 1 . . . . . . . . 6005 1 170 . 1 1 15 15 SER CB C 13 67.009 0.08 . 1 . . . . . . . . 6005 1 171 . 1 1 15 15 SER H H 1 8.494 0.02 . 1 . . . . . . . . 6005 1 172 . 1 1 15 15 SER HA H 1 4.764 0.02 . 1 . . . . . . . . 6005 1 173 . 1 1 15 15 SER HB3 H 1 3.966 0.02 . 2 . . . . . . . . 6005 1 174 . 1 1 15 15 SER HB2 H 1 3.837 0.02 . 2 . . . . . . . . 6005 1 175 . 1 1 15 15 SER N N 15 112.152 0.07 . 1 . . . . . . . . 6005 1 176 . 1 1 15 15 SER C C 13 175.519 0.08 . 1 . . . . . . . . 6005 1 177 . 1 1 16 16 GLY CA C 13 45.076 0.08 . 1 . . . . . . . . 6005 1 178 . 1 1 16 16 GLY H H 1 8.352 0.02 . 1 . . . . . . . . 6005 1 179 . 1 1 16 16 GLY HA3 H 1 3.787 0.02 . 2 . . . . . . . . 6005 1 180 . 1 1 16 16 GLY HA2 H 1 2.777 0.02 . 2 . . . . . . . . 6005 1 181 . 1 1 16 16 GLY N N 15 114.082 0.07 . 1 . . . . . . . . 6005 1 182 . 1 1 16 16 GLY C C 13 172.377 0.08 . 1 . . . . . . . . 6005 1 183 . 1 1 17 17 THR CA C 13 59.819 0.08 . 1 . . . . . . . . 6005 1 184 . 1 1 17 17 THR CB C 13 70.802 0.08 . 1 . . . . . . . . 6005 1 185 . 1 1 17 17 THR CG2 C 13 20.222 0.08 . 1 . . . . . . . . 6005 1 186 . 1 1 17 17 THR H H 1 7.487 0.02 . 1 . . . . . . . . 6005 1 187 . 1 1 17 17 THR HA H 1 4.454 0.02 . 1 . . . . . . . . 6005 1 188 . 1 1 17 17 THR HB H 1 3.940 0.02 . 1 . . . . . . . . 6005 1 189 . 1 1 17 17 THR N N 15 112.660 0.07 . 1 . . . . . . . . 6005 1 190 . 1 1 17 17 THR HG21 H 1 0.993 0.02 . 1 . . . . . . . . 6005 1 191 . 1 1 17 17 THR HG22 H 1 0.993 0.02 . 1 . . . . . . . . 6005 1 192 . 1 1 17 17 THR HG23 H 1 0.993 0.02 . 1 . . . . . . . . 6005 1 193 . 1 1 17 17 THR C C 13 170.910 0.08 . 1 . . . . . . . . 6005 1 194 . 1 1 18 18 CYS CA C 13 58.742 0.08 . 1 . . . . . . . . 6005 1 195 . 1 1 18 18 CYS CB C 13 32.885 0.08 . 1 . . . . . . . . 6005 1 196 . 1 1 18 18 CYS H H 1 8.269 0.02 . 1 . . . . . . . . 6005 1 197 . 1 1 18 18 CYS HA H 1 4.676 0.02 . 1 . . . . . . . . 6005 1 198 . 1 1 18 18 CYS HB2 H 1 2.998 0.02 . 1 . . . . . . . . 6005 1 199 . 1 1 18 18 CYS HB3 H 1 2.745 0.02 . 1 . . . . . . . . 6005 1 200 . 1 1 18 18 CYS N N 15 124.318 0.07 . 1 . . . . . . . . 6005 1 201 . 1 1 18 18 CYS C C 13 177.363 0.08 . 1 . . . . . . . . 6005 1 202 . 1 1 19 19 LYS CA C 13 58.544 0.08 . 1 . . . . . . . . 6005 1 203 . 1 1 19 19 LYS CB C 13 31.867 0.08 . 1 . . . . . . . . 6005 1 204 . 1 1 19 19 LYS CD C 13 29.428 0.08 . 1 . . . . . . . . 6005 1 205 . 1 1 19 19 LYS CE C 13 41.941 0.08 . 1 . . . . . . . . 6005 1 206 . 1 1 19 19 LYS CG C 13 24.099 0.08 . 1 . . . . . . . . 6005 1 207 . 1 1 19 19 LYS H H 1 9.216 0.02 . 1 . . . . . . . . 6005 1 208 . 1 1 19 19 LYS HA H 1 4.245 0.02 . 1 . . . . . . . . 6005 1 209 . 1 1 19 19 LYS HB2 H 1 1.885 0.02 . 1 . . . . . . . . 6005 1 210 . 1 1 19 19 LYS HB3 H 1 1.800 0.02 . 1 . . . . . . . . 6005 1 211 . 1 1 19 19 LYS HD3 H 1 1.610 0.02 . 2 . . . . . . . . 6005 1 212 . 1 1 19 19 LYS HD2 H 1 1.562 0.02 . 2 . . . . . . . . 6005 1 213 . 1 1 19 19 LYS HE3 H 1 2.959 0.02 . 2 . . . . . . . . 6005 1 214 . 1 1 19 19 LYS HE2 H 1 2.786 0.02 . 2 . . . . . . . . 6005 1 215 . 1 1 19 19 LYS HG3 H 1 1.483 0.02 . 2 . . . . . . . . 6005 1 216 . 1 1 19 19 LYS HG2 H 1 0.835 0.02 . 2 . . . . . . . . 6005 1 217 . 1 1 19 19 LYS N N 15 131.637 0.07 . 1 . . . . . . . . 6005 1 218 . 1 1 19 19 LYS C C 13 177.272 0.08 . 1 . . . . . . . . 6005 1 219 . 1 1 20 20 TYR CA C 13 60.458 0.08 . 1 . . . . . . . . 6005 1 220 . 1 1 20 20 TYR CB C 13 38.333 0.08 . 1 . . . . . . . . 6005 1 221 . 1 1 20 20 TYR CD1 C 13 132.155 0.08 . 3 . . . . . . . . 6005 1 222 . 1 1 20 20 TYR CE1 C 13 117.616 0.08 . 3 . . . . . . . . 6005 1 223 . 1 1 20 20 TYR H H 1 9.289 0.02 . 1 . . . . . . . . 6005 1 224 . 1 1 20 20 TYR HA H 1 4.345 0.02 . 1 . . . . . . . . 6005 1 225 . 1 1 20 20 TYR HB2 H 1 3.230 0.02 . 1 . . . . . . . . 6005 1 226 . 1 1 20 20 TYR HB3 H 1 2.637 0.02 . 1 . . . . . . . . 6005 1 227 . 1 1 20 20 TYR N N 15 122.448 0.07 . 1 . . . . . . . . 6005 1 228 . 1 1 20 20 TYR HD1 H 1 7.143 0.02 . 1 . . . . . . . . 6005 1 229 . 1 1 20 20 TYR HD2 H 1 7.143 0.02 . 1 . . . . . . . . 6005 1 230 . 1 1 20 20 TYR HE1 H 1 6.783 0.02 . 1 . . . . . . . . 6005 1 231 . 1 1 20 20 TYR HE2 H 1 6.783 0.02 . 1 . . . . . . . . 6005 1 232 . 1 1 20 20 TYR C C 13 178.074 0.08 . 1 . . . . . . . . 6005 1 233 . 1 1 21 21 GLY CA C 13 47.575 0.08 . 1 . . . . . . . . 6005 1 234 . 1 1 21 21 GLY H H 1 8.018 0.02 . 1 . . . . . . . . 6005 1 235 . 1 1 21 21 GLY N N 15 111.028 0.07 . 1 . . . . . . . . 6005 1 236 . 1 1 21 21 GLY HA2 H 1 4.073 0.02 . 1 . . . . . . . . 6005 1 237 . 1 1 21 21 GLY HA3 H 1 4.073 0.02 . 1 . . . . . . . . 6005 1 238 . 1 1 21 21 GLY C C 13 176.807 0.08 . 1 . . . . . . . . 6005 1 239 . 1 1 22 22 GLU CA C 13 58.072 0.08 . 1 . . . . . . . . 6005 1 240 . 1 1 22 22 GLU CB C 13 29.104 0.08 . 1 . . . . . . . . 6005 1 241 . 1 1 22 22 GLU CG C 13 36.222 0.08 . 1 . . . . . . . . 6005 1 242 . 1 1 22 22 GLU H H 1 9.599 0.02 . 1 . . . . . . . . 6005 1 243 . 1 1 22 22 GLU HA H 1 4.301 0.02 . 1 . . . . . . . . 6005 1 244 . 1 1 22 22 GLU HB2 H 1 2.141 0.02 . 1 . . . . . . . . 6005 1 245 . 1 1 22 22 GLU HB3 H 1 2.275 0.02 . 1 . . . . . . . . 6005 1 246 . 1 1 22 22 GLU N N 15 128.536 0.07 . 1 . . . . . . . . 6005 1 247 . 1 1 22 22 GLU HG3 H 1 2.427 0.02 . 1 . . . . . . . . 6005 1 248 . 1 1 22 22 GLU HG2 H 1 2.427 0.02 . 1 . . . . . . . . 6005 1 249 . 1 1 22 22 GLU C C 13 177.208 0.08 . 1 . . . . . . . . 6005 1 250 . 1 1 23 23 LYS CA C 13 55.769 0.08 . 1 . . . . . . . . 6005 1 251 . 1 1 23 23 LYS CB C 13 32.127 0.08 . 1 . . . . . . . . 6005 1 252 . 1 1 23 23 LYS CD C 13 29.025 0.08 . 1 . . . . . . . . 6005 1 253 . 1 1 23 23 LYS CE C 13 42.043 0.08 . 1 . . . . . . . . 6005 1 254 . 1 1 23 23 LYS CG C 13 25.631 0.08 . 1 . . . . . . . . 6005 1 255 . 1 1 23 23 LYS H H 1 8.555 0.02 . 1 . . . . . . . . 6005 1 256 . 1 1 23 23 LYS HA H 1 4.498 0.02 . 1 . . . . . . . . 6005 1 257 . 1 1 23 23 LYS HG3 H 1 1.673 0.02 . 2 . . . . . . . . 6005 1 258 . 1 1 23 23 LYS HG2 H 1 1.556 0.02 . 2 . . . . . . . . 6005 1 259 . 1 1 23 23 LYS N N 15 119.618 0.07 . 1 . . . . . . . . 6005 1 260 . 1 1 23 23 LYS HB3 H 1 2.233 0.02 . 1 . . . . . . . . 6005 1 261 . 1 1 23 23 LYS HB2 H 1 2.233 0.02 . 1 . . . . . . . . 6005 1 262 . 1 1 23 23 LYS HD3 H 1 1.863 0.02 . 1 . . . . . . . . 6005 1 263 . 1 1 23 23 LYS HD2 H 1 1.863 0.02 . 1 . . . . . . . . 6005 1 264 . 1 1 23 23 LYS HE3 H 1 3.116 0.02 . 1 . . . . . . . . 6005 1 265 . 1 1 23 23 LYS HE2 H 1 3.116 0.02 . 1 . . . . . . . . 6005 1 266 . 1 1 23 23 LYS C C 13 176.244 0.08 . 1 . . . . . . . . 6005 1 267 . 1 1 24 24 CYS CA C 13 61.628 0.08 . 1 . . . . . . . . 6005 1 268 . 1 1 24 24 CYS CB C 13 31.512 0.08 . 1 . . . . . . . . 6005 1 269 . 1 1 24 24 CYS H H 1 7.509 0.02 . 1 . . . . . . . . 6005 1 270 . 1 1 24 24 CYS HA H 1 4.065 0.02 . 1 . . . . . . . . 6005 1 271 . 1 1 24 24 CYS HB2 H 1 3.189 0.02 . 1 . . . . . . . . 6005 1 272 . 1 1 24 24 CYS HB3 H 1 2.498 0.02 . 1 . . . . . . . . 6005 1 273 . 1 1 24 24 CYS N N 15 125.255 0.07 . 1 . . . . . . . . 6005 1 274 . 1 1 24 24 CYS C C 13 177.250 0.08 . 1 . . . . . . . . 6005 1 275 . 1 1 25 25 GLN CA C 13 55.042 0.08 . 1 . . . . . . . . 6005 1 276 . 1 1 25 25 GLN CB C 13 28.768 0.08 . 1 . . . . . . . . 6005 1 277 . 1 1 25 25 GLN CG C 13 34.432 0.08 . 1 . . . . . . . . 6005 1 278 . 1 1 25 25 GLN H H 1 8.945 0.02 . 1 . . . . . . . . 6005 1 279 . 1 1 25 25 GLN HA H 1 4.254 0.02 . 1 . . . . . . . . 6005 1 280 . 1 1 25 25 GLN HB2 H 1 1.421 0.02 . 1 . . . . . . . . 6005 1 281 . 1 1 25 25 GLN HB3 H 1 2.519 0.02 . 1 . . . . . . . . 6005 1 282 . 1 1 25 25 GLN HE22 H 1 7.202 0.02 . 2 . . . . . . . . 6005 1 283 . 1 1 25 25 GLN HE21 H 1 7.083 0.02 . 2 . . . . . . . . 6005 1 284 . 1 1 25 25 GLN HG3 H 1 2.638 0.02 . 2 . . . . . . . . 6005 1 285 . 1 1 25 25 GLN HG2 H 1 2.518 0.02 . 2 . . . . . . . . 6005 1 286 . 1 1 25 25 GLN N N 15 125.948 0.07 . 1 . . . . . . . . 6005 1 287 . 1 1 25 25 GLN NE2 N 15 115.549 0.07 . 1 . . . . . . . . 6005 1 288 . 1 1 25 25 GLN C C 13 175.081 0.08 . 1 . . . . . . . . 6005 1 289 . 1 1 26 26 PHE CA C 13 56.909 0.08 . 1 . . . . . . . . 6005 1 290 . 1 1 26 26 PHE CB C 13 39.299 0.08 . 1 . . . . . . . . 6005 1 291 . 1 1 26 26 PHE CZ C 13 125.985 0.08 . 1 . . . . . . . . 6005 1 292 . 1 1 26 26 PHE H H 1 9.513 0.02 . 1 . . . . . . . . 6005 1 293 . 1 1 26 26 PHE HA H 1 4.780 0.02 . 1 . . . . . . . . 6005 1 294 . 1 1 26 26 PHE HZ H 1 5.746 0.02 . 1 . . . . . . . . 6005 1 295 . 1 1 26 26 PHE N N 15 127.986 0.07 . 1 . . . . . . . . 6005 1 296 . 1 1 26 26 PHE HB3 H 1 2.861 0.02 . 1 . . . . . . . . 6005 1 297 . 1 1 26 26 PHE HB2 H 1 2.861 0.02 . 1 . . . . . . . . 6005 1 298 . 1 1 26 26 PHE HD1 H 1 6.567 0.02 . 1 . . . . . . . . 6005 1 299 . 1 1 26 26 PHE HD2 H 1 6.567 0.02 . 1 . . . . . . . . 6005 1 300 . 1 1 26 26 PHE C C 13 175.111 0.08 . 1 . . . . . . . . 6005 1 301 . 1 1 27 27 ALA CA C 13 52.901 0.08 . 1 . . . . . . . . 6005 1 302 . 1 1 27 27 ALA CB C 13 19.053 0.08 . 1 . . . . . . . . 6005 1 303 . 1 1 27 27 ALA H H 1 9.066 0.02 . 1 . . . . . . . . 6005 1 304 . 1 1 27 27 ALA HA H 1 3.633 0.02 . 1 . . . . . . . . 6005 1 305 . 1 1 27 27 ALA N N 15 125.133 0.07 . 1 . . . . . . . . 6005 1 306 . 1 1 27 27 ALA HB1 H 1 1.045 0.02 . 1 . . . . . . . . 6005 1 307 . 1 1 27 27 ALA HB2 H 1 1.045 0.02 . 1 . . . . . . . . 6005 1 308 . 1 1 27 27 ALA HB3 H 1 1.045 0.02 . 1 . . . . . . . . 6005 1 309 . 1 1 27 27 ALA C C 13 176.731 0.08 . 1 . . . . . . . . 6005 1 310 . 1 1 28 28 HIS CA C 13 52.819 0.08 . 1 . . . . . . . . 6005 1 311 . 1 1 28 28 HIS CB C 13 25.051 0.08 . 1 . . . . . . . . 6005 1 312 . 1 1 28 28 HIS CD2 C 13 123.909 0.08 . 1 . . . . . . . . 6005 1 313 . 1 1 28 28 HIS CE1 C 13 137.461 0.08 . 1 . . . . . . . . 6005 1 314 . 1 1 28 28 HIS H H 1 9.425 0.02 . 1 . . . . . . . . 6005 1 315 . 1 1 28 28 HIS HA H 1 4.378 0.02 . 1 . . . . . . . . 6005 1 316 . 1 1 28 28 HIS HB2 H 1 2.541 0.02 . 1 . . . . . . . . 6005 1 317 . 1 1 28 28 HIS HB3 H 1 0.962 0.02 . 1 . . . . . . . . 6005 1 318 . 1 1 28 28 HIS HD2 H 1 6.404 0.02 . 1 . . . . . . . . 6005 1 319 . 1 1 28 28 HIS HE1 H 1 7.926 0.02 . 1 . . . . . . . . 6005 1 320 . 1 1 28 28 HIS N N 15 129.137 0.07 . 1 . . . . . . . . 6005 1 321 . 1 1 28 28 HIS C C 13 174.046 0.08 . 1 . . . . . . . . 6005 1 322 . 1 1 29 29 GLY CA C 13 44.109 0.08 . 1 . . . . . . . . 6005 1 323 . 1 1 29 29 GLY H H 1 8.017 0.02 . 1 . . . . . . . . 6005 1 324 . 1 1 29 29 GLY HA3 H 1 4.491 0.02 . 2 . . . . . . . . 6005 1 325 . 1 1 29 29 GLY HA2 H 1 3.983 0.02 . 2 . . . . . . . . 6005 1 326 . 1 1 29 29 GLY N N 15 111.582 0.07 . 1 . . . . . . . . 6005 1 327 . 1 1 29 29 GLY C C 13 174.654 0.08 . 1 . . . . . . . . 6005 1 328 . 1 1 30 30 PHE CA C 13 60.711 0.08 . 1 . . . . . . . . 6005 1 329 . 1 1 30 30 PHE CB C 13 38.948 0.08 . 1 . . . . . . . . 6005 1 330 . 1 1 30 30 PHE CD1 C 13 130.883 0.08 . 3 . . . . . . . . 6005 1 331 . 1 1 30 30 PHE CE1 C 13 130.805 0.08 . 3 . . . . . . . . 6005 1 332 . 1 1 30 30 PHE H H 1 8.446 0.02 . 1 . . . . . . . . 6005 1 333 . 1 1 30 30 PHE HA H 1 4.054 0.02 . 1 . . . . . . . . 6005 1 334 . 1 1 30 30 PHE HB2 H 1 3.199 0.02 . 1 . . . . . . . . 6005 1 335 . 1 1 30 30 PHE HB3 H 1 3.093 0.02 . 1 . . . . . . . . 6005 1 336 . 1 1 30 30 PHE N N 15 118.886 0.07 . 1 . . . . . . . . 6005 1 337 . 1 1 30 30 PHE HD1 H 1 7.216 0.02 . 1 . . . . . . . . 6005 1 338 . 1 1 30 30 PHE HD2 H 1 7.216 0.02 . 1 . . . . . . . . 6005 1 339 . 1 1 30 30 PHE HE1 H 1 7.364 0.02 . 1 . . . . . . . . 6005 1 340 . 1 1 30 30 PHE HE2 H 1 7.364 0.02 . 1 . . . . . . . . 6005 1 341 . 1 1 31 31 HIS CA C 13 57.978 0.08 . 1 . . . . . . . . 6005 1 342 . 1 1 31 31 HIS CB C 13 28.258 0.08 . 1 . . . . . . . . 6005 1 343 . 1 1 31 31 HIS HA H 1 4.356 0.02 . 1 . . . . . . . . 6005 1 344 . 1 1 31 31 HIS HB3 H 1 3.238 0.02 . 2 . . . . . . . . 6005 1 345 . 1 1 31 31 HIS HB2 H 1 3.152 0.02 . 2 . . . . . . . . 6005 1 346 . 1 1 31 31 HIS C C 13 179.379 0.08 . 1 . . . . . . . . 6005 1 347 . 1 1 32 32 GLU CA C 13 56.028 0.08 . 1 . . . . . . . . 6005 1 348 . 1 1 32 32 GLU CB C 13 31.697 0.08 . 1 . . . . . . . . 6005 1 349 . 1 1 32 32 GLU CG C 13 36.676 0.08 . 1 . . . . . . . . 6005 1 350 . 1 1 32 32 GLU H H 1 7.184 0.02 . 1 . . . . . . . . 6005 1 351 . 1 1 32 32 GLU HA H 1 4.115 0.02 . 1 . . . . . . . . 6005 1 352 . 1 1 32 32 GLU HB2 H 1 1.598 0.02 . 1 . . . . . . . . 6005 1 353 . 1 1 32 32 GLU HB3 H 1 1.981 0.02 . 1 . . . . . . . . 6005 1 354 . 1 1 32 32 GLU HG3 H 1 2.053 0.02 . 2 . . . . . . . . 6005 1 355 . 1 1 32 32 GLU HG2 H 1 1.927 0.02 . 2 . . . . . . . . 6005 1 356 . 1 1 32 32 GLU N N 15 117.760 0.07 . 1 . . . . . . . . 6005 1 357 . 1 1 32 32 GLU C C 13 176.185 0.08 . 1 . . . . . . . . 6005 1 358 . 1 1 33 33 LEU CA C 13 55.808 0.08 . 1 . . . . . . . . 6005 1 359 . 1 1 33 33 LEU CB C 13 42.502 0.08 . 1 . . . . . . . . 6005 1 360 . 1 1 33 33 LEU CD1 C 13 25.254 0.08 . 2 . . . . . . . . 6005 1 361 . 1 1 33 33 LEU CD2 C 13 24.276 0.08 . 2 . . . . . . . . 6005 1 362 . 1 1 33 33 LEU CG C 13 26.811 0.08 . 1 . . . . . . . . 6005 1 363 . 1 1 33 33 LEU H H 1 7.016 0.02 . 1 . . . . . . . . 6005 1 364 . 1 1 33 33 LEU HA H 1 4.074 0.02 . 1 . . . . . . . . 6005 1 365 . 1 1 33 33 LEU HG H 1 1.325 0.02 . 1 . . . . . . . . 6005 1 366 . 1 1 33 33 LEU N N 15 120.446 0.07 . 1 . . . . . . . . 6005 1 367 . 1 1 33 33 LEU HB3 H 1 1.426 0.02 . 2 . . . . . . . . 6005 1 368 . 1 1 33 33 LEU HD11 H 1 0.784 0.02 . 4 . . . . . . . . 6005 1 369 . 1 1 33 33 LEU HD12 H 1 0.784 0.02 . 4 . . . . . . . . 6005 1 370 . 1 1 33 33 LEU HD13 H 1 0.784 0.02 . 4 . . . . . . . . 6005 1 371 . 1 1 33 33 LEU HD21 H 1 0.665 0.02 . 4 . . . . . . . . 6005 1 372 . 1 1 33 33 LEU HD22 H 1 0.665 0.02 . 4 . . . . . . . . 6005 1 373 . 1 1 33 33 LEU HD23 H 1 0.665 0.02 . 4 . . . . . . . . 6005 1 374 . 1 1 33 33 LEU C C 13 177.551 0.08 . 1 . . . . . . . . 6005 1 375 . 1 1 34 34 ARG CA C 13 54.474 0.08 . 1 . . . . . . . . 6005 1 376 . 1 1 34 34 ARG CB C 13 31.317 0.08 . 1 . . . . . . . . 6005 1 377 . 1 1 34 34 ARG CD C 13 43.326 0.08 . 1 . . . . . . . . 6005 1 378 . 1 1 34 34 ARG H H 1 8.683 0.02 . 1 . . . . . . . . 6005 1 379 . 1 1 34 34 ARG HA H 1 4.397 0.02 . 1 . . . . . . . . 6005 1 380 . 1 1 34 34 ARG HB2 H 1 1.441 0.02 . 1 . . . . . . . . 6005 1 381 . 1 1 34 34 ARG HB3 H 1 1.790 0.02 . 1 . . . . . . . . 6005 1 382 . 1 1 34 34 ARG HE H 1 7.390 0.02 . 1 . . . . . . . . 6005 1 383 . 1 1 34 34 ARG HG3 H 1 1.782 0.02 . 2 . . . . . . . . 6005 1 384 . 1 1 34 34 ARG HG2 H 1 1.546 0.02 . 2 . . . . . . . . 6005 1 385 . 1 1 34 34 ARG N N 15 127.726 0.07 . 1 . . . . . . . . 6005 1 386 . 1 1 34 34 ARG NE N 15 116.668 0.07 . 1 . . . . . . . . 6005 1 387 . 1 1 34 34 ARG HD3 H 1 3.160 0.02 . 1 . . . . . . . . 6005 1 388 . 1 1 34 34 ARG HD2 H 1 3.160 0.02 . 1 . . . . . . . . 6005 1 389 . 1 1 34 34 ARG C C 13 175.850 0.08 . 1 . . . . . . . . 6005 1 390 . 1 1 35 35 SER CB C 13 63.855 0.08 . 1 . . . . . . . . 6005 1 391 . 1 1 35 35 SER H H 1 8.368 0.02 . 1 . . . . . . . . 6005 1 392 . 1 1 35 35 SER HA H 1 4.306 0.02 . 1 . . . . . . . . 6005 1 393 . 1 1 35 35 SER N N 15 116.876 0.07 . 1 . . . . . . . . 6005 1 394 . 1 1 35 35 SER HB3 H 1 3.744 0.02 . 1 . . . . . . . . 6005 1 395 . 1 1 35 35 SER HB2 H 1 3.744 0.02 . 1 . . . . . . . . 6005 1 396 . 1 1 35 35 SER C C 13 173.892 0.08 . 1 . . . . . . . . 6005 1 397 . 1 1 36 36 LEU CA C 13 53.861 0.08 . 1 . . . . . . . . 6005 1 398 . 1 1 36 36 LEU CB C 13 44.154 0.08 . 1 . . . . . . . . 6005 1 399 . 1 1 36 36 LEU CD1 C 13 24.631 0.08 . 2 . . . . . . . . 6005 1 400 . 1 1 36 36 LEU H H 1 8.398 0.02 . 1 . . . . . . . . 6005 1 401 . 1 1 36 36 LEU HA H 1 4.472 0.02 . 1 . . . . . . . . 6005 1 402 . 1 1 36 36 LEU HB2 H 1 1.405 0.02 . 1 . . . . . . . . 6005 1 403 . 1 1 36 36 LEU HB3 H 1 1.480 0.02 . 1 . . . . . . . . 6005 1 404 . 1 1 36 36 LEU N N 15 125.958 0.07 . 1 . . . . . . . . 6005 1 405 . 1 1 36 36 LEU HD11 H 1 0.847 0.02 . 4 . . . . . . . . 6005 1 406 . 1 1 36 36 LEU HD12 H 1 0.847 0.02 . 4 . . . . . . . . 6005 1 407 . 1 1 36 36 LEU HD13 H 1 0.847 0.02 . 4 . . . . . . . . 6005 1 408 . 1 1 36 36 LEU C C 13 177.210 0.08 . 1 . . . . . . . . 6005 1 409 . 1 1 37 37 THR CA C 13 62.448 0.08 . 1 . . . . . . . . 6005 1 410 . 1 1 37 37 THR CB C 13 68.892 0.08 . 1 . . . . . . . . 6005 1 411 . 1 1 37 37 THR CG2 C 13 21.569 0.08 . 1 . . . . . . . . 6005 1 412 . 1 1 37 37 THR H H 1 8.413 0.02 . 1 . . . . . . . . 6005 1 413 . 1 1 37 37 THR HA H 1 4.113 0.02 . 1 . . . . . . . . 6005 1 414 . 1 1 37 37 THR HB H 1 3.955 0.02 . 1 . . . . . . . . 6005 1 415 . 1 1 37 37 THR N N 15 120.898 0.07 . 1 . . . . . . . . 6005 1 416 . 1 1 37 37 THR HG21 H 1 1.129 0.02 . 1 . . . . . . . . 6005 1 417 . 1 1 37 37 THR HG22 H 1 1.129 0.02 . 1 . . . . . . . . 6005 1 418 . 1 1 37 37 THR HG23 H 1 1.129 0.02 . 1 . . . . . . . . 6005 1 419 . 1 1 37 37 THR C C 13 174.251 0.08 . 1 . . . . . . . . 6005 1 420 . 1 1 38 38 ARG CA C 13 53.374 0.08 . 1 . . . . . . . . 6005 1 421 . 1 1 38 38 ARG CB C 13 31.935 0.08 . 1 . . . . . . . . 6005 1 422 . 1 1 38 38 ARG CD C 13 42.460 0.08 . 1 . . . . . . . . 6005 1 423 . 1 1 38 38 ARG CG C 13 26.164 0.08 . 1 . . . . . . . . 6005 1 424 . 1 1 38 38 ARG H H 1 8.595 0.02 . 1 . . . . . . . . 6005 1 425 . 1 1 38 38 ARG HA H 1 4.156 0.02 . 1 . . . . . . . . 6005 1 426 . 1 1 38 38 ARG HB2 H 1 1.424 0.02 . 1 . . . . . . . . 6005 1 427 . 1 1 38 38 ARG HB3 H 1 1.288 0.02 . 1 . . . . . . . . 6005 1 428 . 1 1 38 38 ARG HD3 H 1 2.147 0.02 . 2 . . . . . . . . 6005 1 429 . 1 1 38 38 ARG HD2 H 1 1.824 0.02 . 2 . . . . . . . . 6005 1 430 . 1 1 38 38 ARG HE H 1 6.886 0.02 . 1 . . . . . . . . 6005 1 431 . 1 1 38 38 ARG HG3 H 1 1.188 0.02 . 2 . . . . . . . . 6005 1 432 . 1 1 38 38 ARG HG2 H 1 1.049 0.02 . 2 . . . . . . . . 6005 1 433 . 1 1 38 38 ARG N N 15 127.045 0.07 . 1 . . . . . . . . 6005 1 434 . 1 1 38 38 ARG NE N 15 115.765 0.07 . 1 . . . . . . . . 6005 1 435 . 1 1 38 38 ARG C C 13 174.723 0.08 . 1 . . . . . . . . 6005 1 436 . 1 1 39 39 HIS CA C 13 56.301 0.08 . 1 . . . . . . . . 6005 1 437 . 1 1 39 39 HIS CB C 13 31.889 0.08 . 1 . . . . . . . . 6005 1 438 . 1 1 39 39 HIS CD2 C 13 117.889 0.08 . 1 . . . . . . . . 6005 1 439 . 1 1 39 39 HIS CE1 C 13 137.449 0.08 . 1 . . . . . . . . 6005 1 440 . 1 1 39 39 HIS H H 1 8.556 0.02 . 1 . . . . . . . . 6005 1 441 . 1 1 39 39 HIS HA H 1 4.360 0.02 . 1 . . . . . . . . 6005 1 442 . 1 1 39 39 HIS HB2 H 1 3.192 0.02 . 1 . . . . . . . . 6005 1 443 . 1 1 39 39 HIS HB3 H 1 2.654 0.02 . 1 . . . . . . . . 6005 1 444 . 1 1 39 39 HIS HD2 H 1 7.160 0.02 . 1 . . . . . . . . 6005 1 445 . 1 1 39 39 HIS HE1 H 1 7.536 0.02 . 1 . . . . . . . . 6005 1 446 . 1 1 39 39 HIS N N 15 125.578 0.07 . 1 . . . . . . . . 6005 1 447 . 1 1 40 40 PRO CA C 13 65.076 0.08 . 1 . . . . . . . . 6005 1 448 . 1 1 40 40 PRO CB C 13 32.129 0.08 . 1 . . . . . . . . 6005 1 449 . 1 1 40 40 PRO CD C 13 50.260 0.08 . 1 . . . . . . . . 6005 1 450 . 1 1 40 40 PRO CG C 13 27.325 0.08 . 1 . . . . . . . . 6005 1 451 . 1 1 40 40 PRO HA H 1 4.292 0.02 . 1 . . . . . . . . 6005 1 452 . 1 1 40 40 PRO HB3 H 1 2.295 0.02 . 2 . . . . . . . . 6005 1 453 . 1 1 40 40 PRO HB2 H 1 1.796 0.02 . 2 . . . . . . . . 6005 1 454 . 1 1 40 40 PRO HD3 H 1 3.431 0.02 . 2 . . . . . . . . 6005 1 455 . 1 1 40 40 PRO HD2 H 1 2.271 0.02 . 2 . . . . . . . . 6005 1 456 . 1 1 40 40 PRO HG3 H 1 1.809 0.02 . 2 . . . . . . . . 6005 1 457 . 1 1 40 40 PRO HG2 H 1 1.718 0.02 . 2 . . . . . . . . 6005 1 458 . 1 1 40 40 PRO C C 13 178.501 0.08 . 1 . . . . . . . . 6005 1 459 . 1 1 41 41 LYS CA C 13 54.950 0.08 . 1 . . . . . . . . 6005 1 460 . 1 1 41 41 LYS CB C 13 31.617 0.08 . 1 . . . . . . . . 6005 1 461 . 1 1 41 41 LYS CD C 13 29.006 0.08 . 1 . . . . . . . . 6005 1 462 . 1 1 41 41 LYS CE C 13 42.001 0.08 . 1 . . . . . . . . 6005 1 463 . 1 1 41 41 LYS CG C 13 26.056 0.08 . 1 . . . . . . . . 6005 1 464 . 1 1 41 41 LYS H H 1 0.316 0.02 . 1 . . . . . . . . 6005 1 465 . 1 1 41 41 LYS HA H 1 4.260 0.02 . 1 . . . . . . . . 6005 1 466 . 1 1 41 41 LYS HB3 H 1 1.672 0.02 . 2 . . . . . . . . 6005 1 467 . 1 1 41 41 LYS HB2 H 1 1.539 0.02 . 2 . . . . . . . . 6005 1 468 . 1 1 41 41 LYS HD3 H 1 1.820 0.02 . 2 . . . . . . . . 6005 1 469 . 1 1 41 41 LYS HD2 H 1 1.730 0.02 . 2 . . . . . . . . 6005 1 470 . 1 1 41 41 LYS HE3 H 1 3.044 0.02 . 2 . . . . . . . . 6005 1 471 . 1 1 41 41 LYS HE2 H 1 3.019 0.02 . 2 . . . . . . . . 6005 1 472 . 1 1 41 41 LYS HG3 H 1 1.561 0.02 . 2 . . . . . . . . 6005 1 473 . 1 1 41 41 LYS HG2 H 1 1.301 0.02 . 2 . . . . . . . . 6005 1 474 . 1 1 41 41 LYS C C 13 176.058 0.08 . 1 . . . . . . . . 6005 1 475 . 1 1 42 42 TYR CA C 13 59.681 0.08 . 1 . . . . . . . . 6005 1 476 . 1 1 42 42 TYR CB C 13 39.479 0.08 . 1 . . . . . . . . 6005 1 477 . 1 1 42 42 TYR CD1 C 13 132.556 0.08 . 3 . . . . . . . . 6005 1 478 . 1 1 42 42 TYR CE1 C 13 117.373 0.08 . 3 . . . . . . . . 6005 1 479 . 1 1 42 42 TYR H H 1 7.932 0.02 . 1 . . . . . . . . 6005 1 480 . 1 1 42 42 TYR HA H 1 3.660 0.02 . 1 . . . . . . . . 6005 1 481 . 1 1 42 42 TYR HB2 H 1 3.201 0.02 . 1 . . . . . . . . 6005 1 482 . 1 1 42 42 TYR HB3 H 1 2.691 0.02 . 1 . . . . . . . . 6005 1 483 . 1 1 42 42 TYR N N 15 123.501 0.07 . 1 . . . . . . . . 6005 1 484 . 1 1 42 42 TYR HD1 H 1 6.822 0.02 . 1 . . . . . . . . 6005 1 485 . 1 1 42 42 TYR HD2 H 1 6.822 0.02 . 1 . . . . . . . . 6005 1 486 . 1 1 42 42 TYR HE1 H 1 6.584 0.02 . 1 . . . . . . . . 6005 1 487 . 1 1 42 42 TYR HE2 H 1 6.584 0.02 . 1 . . . . . . . . 6005 1 488 . 1 1 42 42 TYR C C 13 174.188 0.08 . 1 . . . . . . . . 6005 1 489 . 1 1 43 43 LYS CA C 13 57.828 0.08 . 1 . . . . . . . . 6005 1 490 . 1 1 43 43 LYS CB C 13 29.948 0.08 . 1 . . . . . . . . 6005 1 491 . 1 1 43 43 LYS CD C 13 28.968 0.08 . 1 . . . . . . . . 6005 1 492 . 1 1 43 43 LYS CE C 13 42.050 0.08 . 1 . . . . . . . . 6005 1 493 . 1 1 43 43 LYS CG C 13 25.308 0.08 . 1 . . . . . . . . 6005 1 494 . 1 1 43 43 LYS H H 1 7.909 0.02 . 1 . . . . . . . . 6005 1 495 . 1 1 43 43 LYS HA H 1 3.106 0.02 . 1 . . . . . . . . 6005 1 496 . 1 1 43 43 LYS HB2 H 1 1.262 0.02 . 1 . . . . . . . . 6005 1 497 . 1 1 43 43 LYS HB3 H 1 1.406 0.02 . 1 . . . . . . . . 6005 1 498 . 1 1 43 43 LYS HD3 H 1 1.186 0.02 . 2 . . . . . . . . 6005 1 499 . 1 1 43 43 LYS HD2 H 1 0.969 0.02 . 2 . . . . . . . . 6005 1 500 . 1 1 43 43 LYS HE3 H 1 2.877 0.02 . 2 . . . . . . . . 6005 1 501 . 1 1 43 43 LYS HE2 H 1 2.737 0.02 . 2 . . . . . . . . 6005 1 502 . 1 1 43 43 LYS HG3 H 1 -0.027 0.02 . 2 . . . . . . . . 6005 1 503 . 1 1 43 43 LYS HG2 H 1 -0.350 0.02 . 2 . . . . . . . . 6005 1 504 . 1 1 43 43 LYS N N 15 121.795 0.07 . 1 . . . . . . . . 6005 1 505 . 1 1 43 43 LYS C C 13 173.663 0.08 . 1 . . . . . . . . 6005 1 506 . 1 1 44 44 THR CA C 13 62.235 0.08 . 1 . . . . . . . . 6005 1 507 . 1 1 44 44 THR CB C 13 71.454 0.08 . 1 . . . . . . . . 6005 1 508 . 1 1 44 44 THR CG2 C 13 21.186 0.08 . 1 . . . . . . . . 6005 1 509 . 1 1 44 44 THR H H 1 7.717 0.02 . 1 . . . . . . . . 6005 1 510 . 1 1 44 44 THR HA H 1 4.569 0.02 . 1 . . . . . . . . 6005 1 511 . 1 1 44 44 THR HB H 1 4.173 0.02 . 1 . . . . . . . . 6005 1 512 . 1 1 44 44 THR N N 15 106.267 0.07 . 1 . . . . . . . . 6005 1 513 . 1 1 44 44 THR HG21 H 1 1.035 0.02 . 1 . . . . . . . . 6005 1 514 . 1 1 44 44 THR HG22 H 1 1.035 0.02 . 1 . . . . . . . . 6005 1 515 . 1 1 44 44 THR HG23 H 1 1.035 0.02 . 1 . . . . . . . . 6005 1 516 . 1 1 44 44 THR C C 13 175.400 0.08 . 1 . . . . . . . . 6005 1 517 . 1 1 45 45 GLU CA C 13 54.087 0.08 . 1 . . . . . . . . 6005 1 518 . 1 1 45 45 GLU CB C 13 33.182 0.08 . 1 . . . . . . . . 6005 1 519 . 1 1 45 45 GLU CG C 13 35.859 0.08 . 1 . . . . . . . . 6005 1 520 . 1 1 45 45 GLU H H 1 9.241 0.02 . 1 . . . . . . . . 6005 1 521 . 1 1 45 45 GLU HA H 1 4.881 0.02 . 1 . . . . . . . . 6005 1 522 . 1 1 45 45 GLU HB2 H 1 2.062 0.02 . 1 . . . . . . . . 6005 1 523 . 1 1 45 45 GLU HB3 H 1 2.265 0.02 . 1 . . . . . . . . 6005 1 524 . 1 1 45 45 GLU N N 15 125.411 0.07 . 1 . . . . . . . . 6005 1 525 . 1 1 45 45 GLU HG3 H 1 2.508 0.02 . 1 . . . . . . . . 6005 1 526 . 1 1 45 45 GLU HG2 H 1 2.508 0.02 . 1 . . . . . . . . 6005 1 527 . 1 1 45 45 GLU C C 13 175.637 0.08 . 1 . . . . . . . . 6005 1 528 . 1 1 46 46 LEU CA C 13 56.112 0.08 . 1 . . . . . . . . 6005 1 529 . 1 1 46 46 LEU CB C 13 41.171 0.08 . 1 . . . . . . . . 6005 1 530 . 1 1 46 46 LEU CD1 C 13 24.689 0.08 . 2 . . . . . . . . 6005 1 531 . 1 1 46 46 LEU CD2 C 13 22.359 0.08 . 2 . . . . . . . . 6005 1 532 . 1 1 46 46 LEU CG C 13 26.809 0.08 . 1 . . . . . . . . 6005 1 533 . 1 1 46 46 LEU H H 1 8.937 0.02 . 1 . . . . . . . . 6005 1 534 . 1 1 46 46 LEU HA H 1 4.224 0.02 . 1 . . . . . . . . 6005 1 535 . 1 1 46 46 LEU HB2 H 1 1.657 0.02 . 1 . . . . . . . . 6005 1 536 . 1 1 46 46 LEU HB3 H 1 1.123 0.02 . 1 . . . . . . . . 6005 1 537 . 1 1 46 46 LEU HG H 1 1.667 0.02 . 1 . . . . . . . . 6005 1 538 . 1 1 46 46 LEU N N 15 123.263 0.07 . 1 . . . . . . . . 6005 1 539 . 1 1 46 46 LEU HD11 H 1 0.631 0.02 . 4 . . . . . . . . 6005 1 540 . 1 1 46 46 LEU HD12 H 1 0.631 0.02 . 4 . . . . . . . . 6005 1 541 . 1 1 46 46 LEU HD13 H 1 0.631 0.02 . 4 . . . . . . . . 6005 1 542 . 1 1 46 46 LEU HD21 H 1 0.538 0.02 . 4 . . . . . . . . 6005 1 543 . 1 1 46 46 LEU HD22 H 1 0.538 0.02 . 4 . . . . . . . . 6005 1 544 . 1 1 46 46 LEU HD23 H 1 0.538 0.02 . 4 . . . . . . . . 6005 1 545 . 1 1 46 46 LEU C C 13 177.604 0.08 . 1 . . . . . . . . 6005 1 546 . 1 1 47 47 CYS CA C 13 59.535 0.08 . 1 . . . . . . . . 6005 1 547 . 1 1 47 47 CYS CB C 13 31.697 0.08 . 1 . . . . . . . . 6005 1 548 . 1 1 47 47 CYS H H 1 9.577 0.02 . 1 . . . . . . . . 6005 1 549 . 1 1 47 47 CYS HA H 1 4.799 0.02 . 1 . . . . . . . . 6005 1 550 . 1 1 47 47 CYS HB3 H 1 3.412 0.02 . 2 . . . . . . . . 6005 1 551 . 1 1 47 47 CYS HB2 H 1 3.026 0.02 . 2 . . . . . . . . 6005 1 552 . 1 1 47 47 CYS N N 15 127.490 0.07 . 1 . . . . . . . . 6005 1 553 . 1 1 47 47 CYS C C 13 177.428 0.08 . 1 . . . . . . . . 6005 1 554 . 1 1 48 48 ARG CA C 13 58.842 0.08 . 1 . . . . . . . . 6005 1 555 . 1 1 48 48 ARG CB C 13 30.178 0.08 . 1 . . . . . . . . 6005 1 556 . 1 1 48 48 ARG CD C 13 43.269 0.08 . 1 . . . . . . . . 6005 1 557 . 1 1 48 48 ARG CG C 13 27.379 0.08 . 1 . . . . . . . . 6005 1 558 . 1 1 48 48 ARG H H 1 11.330 0.02 . 1 . . . . . . . . 6005 1 559 . 1 1 48 48 ARG HA H 1 4.279 0.02 . 1 . . . . . . . . 6005 1 560 . 1 1 48 48 ARG HB3 H 1 1.704 0.02 . 2 . . . . . . . . 6005 1 561 . 1 1 48 48 ARG HB2 H 1 1.650 0.02 . 2 . . . . . . . . 6005 1 562 . 1 1 48 48 ARG HE H 1 6.784 0.02 . 1 . . . . . . . . 6005 1 563 . 1 1 48 48 ARG HG3 H 1 1.577 0.02 . 2 . . . . . . . . 6005 1 564 . 1 1 48 48 ARG HG2 H 1 1.313 0.02 . 2 . . . . . . . . 6005 1 565 . 1 1 48 48 ARG N N 15 106.718 0.07 . 1 . . . . . . . . 6005 1 566 . 1 1 48 48 ARG NE N 15 113.999 0.07 . 1 . . . . . . . . 6005 1 567 . 1 1 48 48 ARG HD3 H 1 2.634 0.02 . 1 . . . . . . . . 6005 1 568 . 1 1 48 48 ARG HD2 H 1 2.634 0.02 . 1 . . . . . . . . 6005 1 569 . 1 1 48 48 ARG C C 13 177.834 0.08 . 1 . . . . . . . . 6005 1 570 . 1 1 49 49 THR CA C 13 65.291 0.08 . 1 . . . . . . . . 6005 1 571 . 1 1 49 49 THR CB C 13 68.473 0.08 . 1 . . . . . . . . 6005 1 572 . 1 1 49 49 THR CG2 C 13 23.631 0.08 . 1 . . . . . . . . 6005 1 573 . 1 1 49 49 THR H H 1 8.187 0.02 . 1 . . . . . . . . 6005 1 574 . 1 1 49 49 THR HA H 1 4.069 0.02 . 1 . . . . . . . . 6005 1 575 . 1 1 49 49 THR HB H 1 4.464 0.02 . 1 . . . . . . . . 6005 1 576 . 1 1 49 49 THR N N 15 121.260 0.07 . 1 . . . . . . . . 6005 1 577 . 1 1 49 49 THR HG21 H 1 1.555 0.02 . 1 . . . . . . . . 6005 1 578 . 1 1 49 49 THR HG22 H 1 1.555 0.02 . 1 . . . . . . . . 6005 1 579 . 1 1 49 49 THR HG23 H 1 1.555 0.02 . 1 . . . . . . . . 6005 1 580 . 1 1 49 49 THR C C 13 176.455 0.08 . 1 . . . . . . . . 6005 1 581 . 1 1 50 50 PHE CA C 13 62.117 0.08 . 1 . . . . . . . . 6005 1 582 . 1 1 50 50 PHE CB C 13 39.225 0.08 . 1 . . . . . . . . 6005 1 583 . 1 1 50 50 PHE H H 1 9.803 0.02 . 1 . . . . . . . . 6005 1 584 . 1 1 50 50 PHE HA H 1 3.419 0.02 . 1 . . . . . . . . 6005 1 585 . 1 1 50 50 PHE HB2 H 1 2.909 0.02 . 1 . . . . . . . . 6005 1 586 . 1 1 50 50 PHE HB3 H 1 2.829 0.02 . 1 . . . . . . . . 6005 1 587 . 1 1 50 50 PHE N N 15 126.830 0.07 . 1 . . . . . . . . 6005 1 588 . 1 1 50 50 PHE HD1 H 1 6.053 0.02 . 1 . . . . . . . . 6005 1 589 . 1 1 50 50 PHE HD2 H 1 6.053 0.02 . 1 . . . . . . . . 6005 1 590 . 1 1 50 50 PHE C C 13 178.083 0.08 . 1 . . . . . . . . 6005 1 591 . 1 1 51 51 HIS CA C 13 58.362 0.08 . 1 . . . . . . . . 6005 1 592 . 1 1 51 51 HIS CB C 13 29.140 0.08 . 1 . . . . . . . . 6005 1 593 . 1 1 51 51 HIS CD2 C 13 119.851 0.08 . 1 . . . . . . . . 6005 1 594 . 1 1 51 51 HIS H H 1 8.055 0.02 . 1 . . . . . . . . 6005 1 595 . 1 1 51 51 HIS HA H 1 4.327 0.02 . 1 . . . . . . . . 6005 1 596 . 1 1 51 51 HIS HB3 H 1 3.285 0.02 . 2 . . . . . . . . 6005 1 597 . 1 1 51 51 HIS HB2 H 1 3.486 0.02 . 2 . . . . . . . . 6005 1 598 . 1 1 51 51 HIS HD2 H 1 7.944 0.02 . 1 . . . . . . . . 6005 1 599 . 1 1 51 51 HIS N N 15 112.512 0.07 . 1 . . . . . . . . 6005 1 600 . 1 1 51 51 HIS C C 13 175.133 0.08 . 1 . . . . . . . . 6005 1 601 . 1 1 52 52 THR CA C 13 63.960 0.08 . 1 . . . . . . . . 6005 1 602 . 1 1 52 52 THR CB C 13 69.776 0.08 . 1 . . . . . . . . 6005 1 603 . 1 1 52 52 THR CG2 C 13 21.476 0.08 . 1 . . . . . . . . 6005 1 604 . 1 1 52 52 THR H H 1 7.644 0.02 . 1 . . . . . . . . 6005 1 605 . 1 1 52 52 THR HA H 1 4.402 0.02 . 1 . . . . . . . . 6005 1 606 . 1 1 52 52 THR HB H 1 4.206 0.02 . 1 . . . . . . . . 6005 1 607 . 1 1 52 52 THR N N 15 112.630 0.07 . 1 . . . . . . . . 6005 1 608 . 1 1 52 52 THR HG21 H 1 1.312 0.02 . 1 . . . . . . . . 6005 1 609 . 1 1 52 52 THR HG22 H 1 1.312 0.02 . 1 . . . . . . . . 6005 1 610 . 1 1 52 52 THR HG23 H 1 1.312 0.02 . 1 . . . . . . . . 6005 1 611 . 1 1 52 52 THR C C 13 175.921 0.08 . 1 . . . . . . . . 6005 1 612 . 1 1 53 53 ILE CA C 13 61.111 0.08 . 1 . . . . . . . . 6005 1 613 . 1 1 53 53 ILE CB C 13 39.207 0.08 . 1 . . . . . . . . 6005 1 614 . 1 1 53 53 ILE CD1 C 13 13.145 0.08 . 1 . . . . . . . . 6005 1 615 . 1 1 53 53 ILE CG1 C 13 27.183 0.08 . 1 . . . . . . . . 6005 1 616 . 1 1 53 53 ILE CG2 C 13 17.686 0.08 . 1 . . . . . . . . 6005 1 617 . 1 1 53 53 ILE H H 1 8.246 0.02 . 1 . . . . . . . . 6005 1 618 . 1 1 53 53 ILE HA H 1 4.482 0.02 . 1 . . . . . . . . 6005 1 619 . 1 1 53 53 ILE HB H 1 2.174 0.02 . 1 . . . . . . . . 6005 1 620 . 1 1 53 53 ILE HG13 H 1 1.417 0.02 . 2 . . . . . . . . 6005 1 621 . 1 1 53 53 ILE HG12 H 1 1.295 0.02 . 2 . . . . . . . . 6005 1 622 . 1 1 53 53 ILE N N 15 116.589 0.07 . 1 . . . . . . . . 6005 1 623 . 1 1 53 53 ILE HD11 H 1 0.801 0.02 . 1 . . . . . . . . 6005 1 624 . 1 1 53 53 ILE HD12 H 1 0.801 0.02 . 1 . . . . . . . . 6005 1 625 . 1 1 53 53 ILE HD13 H 1 0.801 0.02 . 1 . . . . . . . . 6005 1 626 . 1 1 53 53 ILE HG21 H 1 0.911 0.02 . 1 . . . . . . . . 6005 1 627 . 1 1 53 53 ILE HG22 H 1 0.911 0.02 . 1 . . . . . . . . 6005 1 628 . 1 1 53 53 ILE HG23 H 1 0.911 0.02 . 1 . . . . . . . . 6005 1 629 . 1 1 53 53 ILE C C 13 177.196 0.08 . 1 . . . . . . . . 6005 1 630 . 1 1 54 54 GLY CA C 13 45.144 0.08 . 1 . . . . . . . . 6005 1 631 . 1 1 54 54 GLY H H 1 7.322 0.02 . 1 . . . . . . . . 6005 1 632 . 1 1 54 54 GLY HA3 H 1 3.911 0.02 . 2 . . . . . . . . 6005 1 633 . 1 1 54 54 GLY HA2 H 1 3.156 0.02 . 2 . . . . . . . . 6005 1 634 . 1 1 54 54 GLY N N 15 109.837 0.07 . 1 . . . . . . . . 6005 1 635 . 1 1 54 54 GLY C C 13 172.279 0.08 . 1 . . . . . . . . 6005 1 636 . 1 1 55 55 PHE CA C 13 56.116 0.08 . 1 . . . . . . . . 6005 1 637 . 1 1 55 55 PHE CB C 13 41.792 0.08 . 1 . . . . . . . . 6005 1 638 . 1 1 55 55 PHE CD1 C 13 131.143 0.08 . 3 . . . . . . . . 6005 1 639 . 1 1 55 55 PHE CE1 C 13 129.143 0.08 . 3 . . . . . . . . 6005 1 640 . 1 1 55 55 PHE H H 1 7.026 0.02 . 1 . . . . . . . . 6005 1 641 . 1 1 55 55 PHE HA H 1 4.448 0.02 . 1 . . . . . . . . 6005 1 642 . 1 1 55 55 PHE HB3 H 1 2.616 0.02 . 2 . . . . . . . . 6005 1 643 . 1 1 55 55 PHE HB2 H 1 3.108 0.02 . 2 . . . . . . . . 6005 1 644 . 1 1 55 55 PHE N N 15 117.835 0.07 . 1 . . . . . . . . 6005 1 645 . 1 1 55 55 PHE HD1 H 1 7.091 0.02 . 1 . . . . . . . . 6005 1 646 . 1 1 55 55 PHE HD2 H 1 7.091 0.02 . 1 . . . . . . . . 6005 1 647 . 1 1 55 55 PHE HE1 H 1 7.308 0.02 . 1 . . . . . . . . 6005 1 648 . 1 1 55 55 PHE HE2 H 1 7.308 0.02 . 1 . . . . . . . . 6005 1 649 . 1 1 56 56 CYS CA C 13 54.867 0.08 . 1 . . . . . . . . 6005 1 650 . 1 1 56 56 CYS CB C 13 33.800 0.08 . 1 . . . . . . . . 6005 1 651 . 1 1 56 56 CYS H H 1 8.083 0.02 . 1 . . . . . . . . 6005 1 652 . 1 1 56 56 CYS HA H 1 4.909 0.02 . 1 . . . . . . . . 6005 1 653 . 1 1 56 56 CYS HB2 H 1 2.682 0.02 . 1 . . . . . . . . 6005 1 654 . 1 1 56 56 CYS HB3 H 1 2.814 0.02 . 1 . . . . . . . . 6005 1 655 . 1 1 56 56 CYS N N 15 125.869 0.07 . 1 . . . . . . . . 6005 1 656 . 1 1 57 57 PRO CA C 13 64.294 0.08 . 1 . . . . . . . . 6005 1 657 . 1 1 57 57 PRO CB C 13 31.622 0.08 . 1 . . . . . . . . 6005 1 658 . 1 1 57 57 PRO CD C 13 52.210 0.08 . 1 . . . . . . . . 6005 1 659 . 1 1 57 57 PRO CG C 13 26.800 0.08 . 1 . . . . . . . . 6005 1 660 . 1 1 57 57 PRO HA H 1 4.465 0.02 . 1 . . . . . . . . 6005 1 661 . 1 1 57 57 PRO HB3 H 1 2.385 0.02 . 2 . . . . . . . . 6005 1 662 . 1 1 57 57 PRO HB2 H 1 2.262 0.02 . 2 . . . . . . . . 6005 1 663 . 1 1 57 57 PRO HD3 H 1 4.366 0.02 . 2 . . . . . . . . 6005 1 664 . 1 1 57 57 PRO HD2 H 1 3.724 0.02 . 2 . . . . . . . . 6005 1 665 . 1 1 57 57 PRO HG3 H 1 2.191 0.02 . 2 . . . . . . . . 6005 1 666 . 1 1 57 57 PRO HG2 H 1 1.858 0.02 . 2 . . . . . . . . 6005 1 667 . 1 1 57 57 PRO C C 13 177.831 0.08 . 1 . . . . . . . . 6005 1 668 . 1 1 58 58 TYR CA C 13 60.539 0.08 . 1 . . . . . . . . 6005 1 669 . 1 1 58 58 TYR CB C 13 38.046 0.08 . 1 . . . . . . . . 6005 1 670 . 1 1 58 58 TYR CD1 C 13 131.495 0.08 . 3 . . . . . . . . 6005 1 671 . 1 1 58 58 TYR CE1 C 13 117.782 0.08 . 3 . . . . . . . . 6005 1 672 . 1 1 58 58 TYR H H 1 9.066 0.02 . 1 . . . . . . . . 6005 1 673 . 1 1 58 58 TYR HA H 1 4.441 0.02 . 1 . . . . . . . . 6005 1 674 . 1 1 58 58 TYR HB2 H 1 3.342 0.02 . 1 . . . . . . . . 6005 1 675 . 1 1 58 58 TYR HB3 H 1 2.539 0.02 . 1 . . . . . . . . 6005 1 676 . 1 1 58 58 TYR N N 15 122.055 0.07 . 1 . . . . . . . . 6005 1 677 . 1 1 58 58 TYR HD1 H 1 6.928 0.02 . 1 . . . . . . . . 6005 1 678 . 1 1 58 58 TYR HD2 H 1 6.928 0.02 . 1 . . . . . . . . 6005 1 679 . 1 1 58 58 TYR HE1 H 1 6.715 0.02 . 1 . . . . . . . . 6005 1 680 . 1 1 58 58 TYR HE2 H 1 6.715 0.02 . 1 . . . . . . . . 6005 1 681 . 1 1 58 58 TYR C C 13 177.872 0.08 . 1 . . . . . . . . 6005 1 682 . 1 1 59 59 GLY CA C 13 45.756 0.08 . 1 . . . . . . . . 6005 1 683 . 1 1 59 59 GLY H H 1 7.943 0.02 . 1 . . . . . . . . 6005 1 684 . 1 1 59 59 GLY HA3 H 1 4.446 0.02 . 2 . . . . . . . . 6005 1 685 . 1 1 59 59 GLY HA2 H 1 3.968 0.02 . 2 . . . . . . . . 6005 1 686 . 1 1 59 59 GLY N N 15 110.422 0.07 . 1 . . . . . . . . 6005 1 687 . 1 1 60 60 PRO CA C 13 63.945 0.08 . 1 . . . . . . . . 6005 1 688 . 1 1 60 60 PRO CB C 13 32.329 0.08 . 1 . . . . . . . . 6005 1 689 . 1 1 60 60 PRO CD C 13 51.660 0.08 . 1 . . . . . . . . 6005 1 690 . 1 1 60 60 PRO CG C 13 26.893 0.08 . 1 . . . . . . . . 6005 1 691 . 1 1 60 60 PRO HA H 1 4.648 0.02 . 1 . . . . . . . . 6005 1 692 . 1 1 60 60 PRO HB3 H 1 2.500 0.02 . 2 . . . . . . . . 6005 1 693 . 1 1 60 60 PRO HB2 H 1 2.245 0.02 . 2 . . . . . . . . 6005 1 694 . 1 1 60 60 PRO HD3 H 1 4.186 0.02 . 2 . . . . . . . . 6005 1 695 . 1 1 60 60 PRO HD2 H 1 3.945 0.02 . 2 . . . . . . . . 6005 1 696 . 1 1 60 60 PRO HG3 H 1 2.209 0.02 . 2 . . . . . . . . 6005 1 697 . 1 1 60 60 PRO HG2 H 1 2.153 0.02 . 2 . . . . . . . . 6005 1 698 . 1 1 60 60 PRO C C 13 177.630 0.08 . 1 . . . . . . . . 6005 1 699 . 1 1 61 61 ARG CA C 13 56.467 0.08 . 1 . . . . . . . . 6005 1 700 . 1 1 61 61 ARG CB C 13 29.990 0.08 . 1 . . . . . . . . 6005 1 701 . 1 1 61 61 ARG CD C 13 43.375 0.08 . 1 . . . . . . . . 6005 1 702 . 1 1 61 61 ARG CG C 13 28.120 0.08 . 1 . . . . . . . . 6005 1 703 . 1 1 61 61 ARG H H 1 8.473 0.02 . 1 . . . . . . . . 6005 1 704 . 1 1 61 61 ARG HA H 1 4.583 0.02 . 1 . . . . . . . . 6005 1 705 . 1 1 61 61 ARG HD3 H 1 3.765 0.02 . 2 . . . . . . . . 6005 1 706 . 1 1 61 61 ARG HD2 H 1 3.481 0.02 . 2 . . . . . . . . 6005 1 707 . 1 1 61 61 ARG HE H 1 8.846 0.02 . 1 . . . . . . . . 6005 1 708 . 1 1 61 61 ARG HG3 H 1 1.972 0.02 . 2 . . . . . . . . 6005 1 709 . 1 1 61 61 ARG HG2 H 1 1.908 0.02 . 2 . . . . . . . . 6005 1 710 . 1 1 61 61 ARG N N 15 118.597 0.07 . 1 . . . . . . . . 6005 1 711 . 1 1 61 61 ARG NE N 15 117.181 0.07 . 1 . . . . . . . . 6005 1 712 . 1 1 61 61 ARG HB3 H 1 2.383 0.02 . 1 . . . . . . . . 6005 1 713 . 1 1 61 61 ARG HB2 H 1 2.383 0.02 . 1 . . . . . . . . 6005 1 714 . 1 1 61 61 ARG C C 13 175.814 0.08 . 1 . . . . . . . . 6005 1 715 . 1 1 62 62 CYS CA C 13 61.330 0.08 . 1 . . . . . . . . 6005 1 716 . 1 1 62 62 CYS CB C 13 31.090 0.08 . 1 . . . . . . . . 6005 1 717 . 1 1 62 62 CYS H H 1 7.573 0.02 . 1 . . . . . . . . 6005 1 718 . 1 1 62 62 CYS HA H 1 3.998 0.02 . 1 . . . . . . . . 6005 1 719 . 1 1 62 62 CYS HB2 H 1 2.987 0.02 . 1 . . . . . . . . 6005 1 720 . 1 1 62 62 CYS HB3 H 1 2.351 0.02 . 1 . . . . . . . . 6005 1 721 . 1 1 62 62 CYS N N 15 124.656 0.07 . 1 . . . . . . . . 6005 1 722 . 1 1 62 62 CYS C C 13 177.347 0.08 . 1 . . . . . . . . 6005 1 723 . 1 1 63 63 HIS CA C 13 54.959 0.08 . 1 . . . . . . . . 6005 1 724 . 1 1 63 63 HIS CB C 13 29.418 0.08 . 1 . . . . . . . . 6005 1 725 . 1 1 63 63 HIS H H 1 9.008 0.02 . 1 . . . . . . . . 6005 1 726 . 1 1 63 63 HIS HA H 1 4.589 0.02 . 1 . . . . . . . . 6005 1 727 . 1 1 63 63 HIS HB2 H 1 2.345 0.02 . 1 . . . . . . . . 6005 1 728 . 1 1 63 63 HIS HB3 H 1 3.496 0.02 . 1 . . . . . . . . 6005 1 729 . 1 1 63 63 HIS N N 15 126.973 0.07 . 1 . . . . . . . . 6005 1 730 . 1 1 63 63 HIS C C 13 174.359 0.08 . 1 . . . . . . . . 6005 1 731 . 1 1 64 64 PHE CA C 13 56.933 0.08 . 1 . . . . . . . . 6005 1 732 . 1 1 64 64 PHE CB C 13 39.245 0.08 . 1 . . . . . . . . 6005 1 733 . 1 1 64 64 PHE CD1 C 13 130.248 0.08 . 3 . . . . . . . . 6005 1 734 . 1 1 64 64 PHE CE1 C 13 128.524 0.08 . 3 . . . . . . . . 6005 1 735 . 1 1 64 64 PHE CZ C 13 125.608 0.08 . 1 . . . . . . . . 6005 1 736 . 1 1 64 64 PHE H H 1 9.176 0.02 . 1 . . . . . . . . 6005 1 737 . 1 1 64 64 PHE HA H 1 4.774 0.02 . 1 . . . . . . . . 6005 1 738 . 1 1 64 64 PHE HB3 H 1 2.939 0.02 . 2 . . . . . . . . 6005 1 739 . 1 1 64 64 PHE HB2 H 1 2.839 0.02 . 2 . . . . . . . . 6005 1 740 . 1 1 64 64 PHE HZ H 1 5.766 0.02 . 1 . . . . . . . . 6005 1 741 . 1 1 64 64 PHE N N 15 127.853 0.07 . 1 . . . . . . . . 6005 1 742 . 1 1 64 64 PHE HD1 H 1 6.554 0.02 . 1 . . . . . . . . 6005 1 743 . 1 1 64 64 PHE HD2 H 1 6.554 0.02 . 1 . . . . . . . . 6005 1 744 . 1 1 64 64 PHE HE1 H 1 6.132 0.02 . 1 . . . . . . . . 6005 1 745 . 1 1 64 64 PHE HE2 H 1 6.132 0.02 . 1 . . . . . . . . 6005 1 746 . 1 1 64 64 PHE C C 13 174.433 0.08 . 1 . . . . . . . . 6005 1 747 . 1 1 65 65 ILE CA C 13 63.915 0.08 . 1 . . . . . . . . 6005 1 748 . 1 1 65 65 ILE CB C 13 40.047 0.08 . 1 . . . . . . . . 6005 1 749 . 1 1 65 65 ILE CD1 C 13 14.063 0.08 . 1 . . . . . . . . 6005 1 750 . 1 1 65 65 ILE CG1 C 13 28.388 0.08 . 1 . . . . . . . . 6005 1 751 . 1 1 65 65 ILE CG2 C 13 16.161 0.08 . 1 . . . . . . . . 6005 1 752 . 1 1 65 65 ILE H H 1 9.209 0.02 . 1 . . . . . . . . 6005 1 753 . 1 1 65 65 ILE HA H 1 3.373 0.02 . 1 . . . . . . . . 6005 1 754 . 1 1 65 65 ILE HB H 1 1.531 0.02 . 1 . . . . . . . . 6005 1 755 . 1 1 65 65 ILE HG13 H 1 1.101 0.02 . 2 . . . . . . . . 6005 1 756 . 1 1 65 65 ILE HG12 H 1 0.573 0.02 . 2 . . . . . . . . 6005 1 757 . 1 1 65 65 ILE N N 15 120.680 0.07 . 1 . . . . . . . . 6005 1 758 . 1 1 65 65 ILE HD11 H 1 0.506 0.02 . 1 . . . . . . . . 6005 1 759 . 1 1 65 65 ILE HD12 H 1 0.506 0.02 . 1 . . . . . . . . 6005 1 760 . 1 1 65 65 ILE HD13 H 1 0.506 0.02 . 1 . . . . . . . . 6005 1 761 . 1 1 65 65 ILE HG21 H 1 0.756 0.02 . 1 . . . . . . . . 6005 1 762 . 1 1 65 65 ILE HG22 H 1 0.756 0.02 . 1 . . . . . . . . 6005 1 763 . 1 1 65 65 ILE HG23 H 1 0.756 0.02 . 1 . . . . . . . . 6005 1 764 . 1 1 65 65 ILE C C 13 178.130 0.08 . 1 . . . . . . . . 6005 1 765 . 1 1 66 66 HIS CA C 13 53.474 0.08 . 1 . . . . . . . . 6005 1 766 . 1 1 66 66 HIS CB C 13 26.411 0.08 . 1 . . . . . . . . 6005 1 767 . 1 1 66 66 HIS CD2 C 13 122.791 0.08 . 1 . . . . . . . . 6005 1 768 . 1 1 66 66 HIS CE1 C 13 138.333 0.08 . 1 . . . . . . . . 6005 1 769 . 1 1 66 66 HIS H H 1 9.070 0.02 . 1 . . . . . . . . 6005 1 770 . 1 1 66 66 HIS HA H 1 4.396 0.02 . 1 . . . . . . . . 6005 1 771 . 1 1 66 66 HIS HB2 H 1 2.870 0.02 . 1 . . . . . . . . 6005 1 772 . 1 1 66 66 HIS HB3 H 1 1.246 0.02 . 1 . . . . . . . . 6005 1 773 . 1 1 66 66 HIS HD2 H 1 6.484 0.02 . 1 . . . . . . . . 6005 1 774 . 1 1 66 66 HIS HE1 H 1 7.913 0.02 . 1 . . . . . . . . 6005 1 775 . 1 1 66 66 HIS N N 15 130.462 0.07 . 1 . . . . . . . . 6005 1 776 . 1 1 66 66 HIS C C 13 172.885 0.08 . 1 . . . . . . . . 6005 1 777 . 1 1 67 67 ASN CA C 13 55.986 0.08 . 1 . . . . . . . . 6005 1 778 . 1 1 67 67 ASN H H 1 7.900 0.02 . 1 . . . . . . . . 6005 1 779 . 1 1 67 67 ASN HA H 1 4.816 0.02 . 1 . . . . . . . . 6005 1 780 . 1 1 67 67 ASN HD22 H 1 7.841 0.02 . 2 . . . . . . . . 6005 1 781 . 1 1 67 67 ASN HD21 H 1 7.200 0.02 . 2 . . . . . . . . 6005 1 782 . 1 1 67 67 ASN N N 15 120.206 0.07 . 1 . . . . . . . . 6005 1 783 . 1 1 67 67 ASN ND2 N 15 114.294 0.07 . 1 . . . . . . . . 6005 1 784 . 1 1 67 67 ASN HB3 H 1 2.924 0.02 . 1 . . . . . . . . 6005 1 785 . 1 1 67 67 ASN HB2 H 1 2.924 0.02 . 1 . . . . . . . . 6005 1 786 . 1 1 67 67 ASN C C 13 175.390 0.08 . 1 . . . . . . . . 6005 1 787 . 1 1 68 68 ALA CA C 13 53.196 0.08 . 1 . . . . . . . . 6005 1 788 . 1 1 68 68 ALA CB C 13 18.826 0.08 . 1 . . . . . . . . 6005 1 789 . 1 1 68 68 ALA H H 1 8.625 0.02 . 1 . . . . . . . . 6005 1 790 . 1 1 68 68 ALA HA H 1 4.205 0.02 . 1 . . . . . . . . 6005 1 791 . 1 1 68 68 ALA N N 15 125.121 0.07 . 1 . . . . . . . . 6005 1 792 . 1 1 68 68 ALA HB1 H 1 1.426 0.02 . 1 . . . . . . . . 6005 1 793 . 1 1 68 68 ALA HB2 H 1 1.426 0.02 . 1 . . . . . . . . 6005 1 794 . 1 1 68 68 ALA HB3 H 1 1.426 0.02 . 1 . . . . . . . . 6005 1 795 . 1 1 68 68 ALA C C 13 177.549 0.08 . 1 . . . . . . . . 6005 1 796 . 1 1 69 69 ASP CA C 13 54.134 0.08 . 1 . . . . . . . . 6005 1 797 . 1 1 69 69 ASP CB C 13 40.880 0.08 . 1 . . . . . . . . 6005 1 798 . 1 1 69 69 ASP H H 1 8.385 0.02 . 1 . . . . . . . . 6005 1 799 . 1 1 69 69 ASP HA H 1 4.635 0.02 . 1 . . . . . . . . 6005 1 800 . 1 1 69 69 ASP HB2 H 1 2.675 0.02 . 1 . . . . . . . . 6005 1 801 . 1 1 69 69 ASP HB3 H 1 2.758 0.02 . 1 . . . . . . . . 6005 1 802 . 1 1 69 69 ASP N N 15 118.885 0.07 . 1 . . . . . . . . 6005 1 803 . 1 1 69 69 ASP C C 13 175.363 0.08 . 1 . . . . . . . . 6005 1 804 . 1 1 70 70 GLU CA C 13 58.063 0.08 . 1 . . . . . . . . 6005 1 805 . 1 1 70 70 GLU CB C 13 31.384 0.08 . 1 . . . . . . . . 6005 1 806 . 1 1 70 70 GLU H H 1 7.727 0.02 . 1 . . . . . . . . 6005 1 807 . 1 1 70 70 GLU HA H 1 4.135 0.02 . 1 . . . . . . . . 6005 1 808 . 1 1 70 70 GLU HB3 H 1 2.032 0.02 . 2 . . . . . . . . 6005 1 809 . 1 1 70 70 GLU HB2 H 1 1.938 0.02 . 2 . . . . . . . . 6005 1 810 . 1 1 70 70 GLU N N 15 126.287 0.07 . 1 . . . . . . . . 6005 1 811 . 1 1 70 70 GLU HG3 H 1 2.222 0.02 . 1 . . . . . . . . 6005 1 812 . 1 1 70 70 GLU HG2 H 1 2.222 0.02 . 1 . . . . . . . . 6005 1 stop_ save_ save_rna_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode rna_shifts _Assigned_chem_shift_list.Entry_ID 6005 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6005 2 . . 3 $sample_3 . 6005 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 2 1 1 U H1' H 1 6.024 0.02 . 1 . . . . . . . . 6005 2 2 . 2 2 2 2 U H6 H 1 7.616 0.02 . 1 . . . . . . . . 6005 2 3 . 2 2 3 3 A H2 H 1 8.165 0.02 . 1 . . . . . . . . 6005 2 4 . 2 2 3 3 A H3' H 1 4.855 0.02 . 1 . . . . . . . . 6005 2 5 . 2 2 3 3 A H8 H 1 8.393 0.02 . 1 . . . . . . . . 6005 2 6 . 2 2 4 4 U H1' H 1 5.152 0.02 . 1 . . . . . . . . 6005 2 7 . 2 2 4 4 U H5 H 1 6.128 0.02 . 1 . . . . . . . . 6005 2 8 . 2 2 4 4 U H6 H 1 7.994 0.02 . 1 . . . . . . . . 6005 2 9 . 2 2 5 5 U H1' H 1 6.372 0.02 . 1 . . . . . . . . 6005 2 10 . 2 2 5 5 U H5 H 1 5.731 0.02 . 1 . . . . . . . . 6005 2 11 . 2 2 5 5 U H6 H 1 7.678 0.02 . 1 . . . . . . . . 6005 2 12 . 2 2 6 6 U H1' H 1 5.534 0.02 . 1 . . . . . . . . 6005 2 13 . 2 2 6 6 U H6 H 1 7.715 0.02 . 1 . . . . . . . . 6005 2 14 . 2 2 7 7 A H1' H 1 5.962 0.02 . 1 . . . . . . . . 6005 2 15 . 2 2 7 7 A H2 H 1 8.129 0.02 . 1 . . . . . . . . 6005 2 16 . 2 2 7 7 A H8 H 1 8.556 0.02 . 1 . . . . . . . . 6005 2 17 . 2 2 8 8 U H1' H 1 5.666 0.02 . 1 . . . . . . . . 6005 2 18 . 2 2 8 8 U H5 H 1 6.186 0.02 . 1 . . . . . . . . 6005 2 19 . 2 2 8 8 U H6 H 1 8.040 0.02 . 1 . . . . . . . . 6005 2 20 . 2 2 9 9 U H1' H 1 6.096 0.02 . 1 . . . . . . . . 6005 2 21 . 2 2 9 9 U H2' H 1 4.398 0.02 . 1 . . . . . . . . 6005 2 22 . 2 2 9 9 U H5 H 1 5.751 0.02 . 1 . . . . . . . . 6005 2 23 . 2 2 9 9 U H6 H 1 7.727 0.02 . 1 . . . . . . . . 6005 2 stop_ save_