data_6408 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Two C-terminal C2H2 Zinc Fingers (F5-6) of MTF-1 ; _BMRB_accession_number 6408 _BMRB_flat_file_name bmr6408.str _Entry_type original _Submission_date 2004-12-03 _Accession_date 2004-12-06 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Laity John H. . 2 Knudsen Nathan A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 49 "13C chemical shifts" 160 "15N chemical shifts" 49 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-11-14 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 6275 'MTF-1 in the free state' 6276 'MTF-1 in the DNA bound state (17 bp)' 6409 'Four Zinc MTF-1' 6445 'MTF-1 in the DNA bound state (22 bp)' stop_ _Original_release_date 2005-11-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The six zinc fingers of metal-responsive element binding transcription factor-1 form stable and quasi-ordered structures with relatively small differences in zinc affinities. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16055450 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Potter Belinda M. . 2 Feng Linda S. . 3 Parasuram Priya . . 4 Matskevich Viktor A. . 5 Wilson Jed A. . 6 Andrews Glen K. . 7 Laity John H. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 280 _Journal_issue 31 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 28529 _Page_last 28540 _Year 2005 _Details . loop_ _Keyword 'Zinc fingers' Metal-sensing 'Transcription factor' 'Zinc affinities' 'Zinc homeostasis' stop_ save_ ####################################### # Cited references within the entry # ####################################### save_reference_1 _Saveframe_category citation _Citation_full ; Radtke, F., Heuchel, R., Georgiev, O., Hergersberg, M., Gariglio, M., Dembic, Z., and Schaffner, W. (1993). Cloned transcription factor MTF-1 activates the mouse metallothionein I promoter. EMBO J., 12, 1355-1362. ; _Citation_title 'Cloned transcription factor MTF-1 activates the mouse metallothionein I promoter.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 8467794 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Radtke F. . . 2 Heuchel R. . . 3 Georgiev O. . . 4 Hergersberg M. . . 5 Gariglio M. . . 6 Dembic Z. . . 7 Schaffner W. . . stop_ _Journal_abbreviation 'EMBO J.' _Journal_name_full 'The EMBO journal' _Journal_volume 12 _Journal_issue 4 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 1355 _Page_last 1362 _Year 1993 _Details ; Metallothioneins (MTs) are small cysteine-rich proteins whose structure is conserved from fungi to man. MTs strongly bind heavy metals, notably zinc, copper and cadmium. Upon exposure of cells to heavy metal and other adverse treatments, MT gene transcription is strongly enhanced. Metal induction is mediated by several copies of a 15 bp consensus sequence (metal-responsive element, MRE) present in the promoter region of MT genes. We and others have demonstrated the presence of an MRE-binding factor in HeLa cell nuclear extracts. We found that this factor, termed MTF-1 (MRE-binding transcription factor) is inactivated/reactivated in vitro by zinc withdrawal/addition. Here we report that the amounts of MTF-1-DNA complexes are elevated several-fold in zinc-treated cells, as measured by bandshift assay. We have also cloned the cDNA of mouse MTF-1, a 72.5 kDa protein. MTF-1 contains six zinc fingers and separate transcriptional activation domains with high contents of acidic and proline residues. Ectopic expression of MTF-1 in primate or rodent cells strongly enhances transcription of a reporter gene that is driven by four consensus MREd sites, or by the complete mouse MT-I promoter, even at normal zinc levels. ; save_ ################################## # Molecular system description # ################################## save_system_MTF-1 _Saveframe_category molecular_system _Mol_system_name 'Metal-responsive element-binding transcription factor-1' _Abbreviation_common MTF-1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MTF-1 subunit 1' $MTF-1 'Zn (II) A' $ZN 'Zn (II) B' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all other bound' loop_ _Biological_function 'transcription factor' 'metalloregulatory protein' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MTF-1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'metal-responsive element-binding transcription factor-1' _Abbreviation_common MTF-1 _Molecular_mass 6317.1 _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 61 _Mol_residue_sequence ; PFRCDHDGCGKAFAASHHLK THVRTHTGERPFFCPSNGCE KTFSTQYSLKSHMKGHDNKG T ; loop_ _Residue_seq_code _Residue_label 1 PRO 2 PHE 3 ARG 4 CYS 5 ASP 6 HIS 7 ASP 8 GLY 9 CYS 10 GLY 11 LYS 12 ALA 13 PHE 14 ALA 15 ALA 16 SER 17 HIS 18 HIS 19 LEU 20 LYS 21 THR 22 HIS 23 VAL 24 ARG 25 THR 26 HIS 27 THR 28 GLY 29 GLU 30 ARG 31 PRO 32 PHE 33 PHE 34 CYS 35 PRO 36 SER 37 ASN 38 GLY 39 CYS 40 GLU 41 LYS 42 THR 43 PHE 44 SER 45 THR 46 GLN 47 TYR 48 SER 49 LEU 50 LYS 51 SER 52 HIS 53 MET 54 LYS 55 GLY 56 HIS 57 ASP 58 ASN 59 LYS 60 GLY 61 THR stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-01-16 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value SWISS-PROT Q07243 'MTF1_MOUSE Metal regulatory transcriptionfactor 1 (Transcription factor MTF-1) (MRE-bindingtranscription factor)' 9.04 675 100 100 10e-33 SWISS-PROT Q14872 'MTF1_HUMAN Metal regulatory transcriptionfactor 1 (Transcription factor MTF-1) (MRE-bindingtranscription factor)' 8.10 753 100 100 5e-32 REF XP_001503611.1 'PREDICTED: similar toMetal-regulatory transcription factor 1 [Equus caballus]' 8.10 753 100 100 5e-32 REF XP_513329.2 'PREDICTED: metal-regulatorytranscription factor 1 [Pan troglodytes]' 8.10 753 100 100 5e-32 REF NP_032662.2 'metal response element bindingtranscription factor 1 [Mus musculus]' 9.04 675 98 98 4e-32 REF NP_001030252.2 'metal-regulatory transcriptionfactor 1 [Bos taurus]' 8.12 751 100 100 5e-32 GenBank EDL80405.1 'metal response element bindingtranscription factor 1 (predicted) [Rattus norvegicus]' 9.04 675 100 100 10e-33 REF NP_001102147.1 'metal response element bindingtranscription factor 1 [Rattus norvegicus]' 9.04 675 100 100 10e-33 GenBank EDL30349.1 'metal response element bindingtranscription factor 1, isoform CRA_a [Mus musculus]' 9.05 674 100 100 10e-33 GenBank AAH17679.1 'Metal response element bindingtranscription factor 1 [Mus musculus]' 9.04 675 100 100 10e-33 GenBank AAP31813.1 'metal response element-bindingtranscription factor 1 [Mus musculus]' 15.44 395 100 100 10e-33 GenBank AAP31812.1 'metal response element-bindingtranscription factor 1 [Mus musculus]' 9.05 674 100 100 10e-33 EMBL CAA55363.1 'metal-regulatory transcription factor[Homo sapiens]' 8.10 753 100 100 5e-32 EMBL CAH70087.1 'metal-regulatory transcription factor 1[Homo sapiens]' 8.10 753 100 100 5e-32 EMBL CAA50470.1 'transcription factor [Mus musculus]' 9.04 675 100 100 10e-33 EMBL CAB71344.1 'heavy metal-responsiv etranscriptionfactor [Mus musculus]' 9.04 675 100 100 10e-33 DBJ BAE00336.1 'unnamed protein product [Macacafascicularis]' 15.68 389 100 100 5e-32 DBJ BAC26879.1 'unnamed protein product [Mus musculus]' 9.04 675 98 98 4e-32 BMRB 6445 'metal-response element-binding transcription factor-1' 34.46 177 100 100 2e-29 DBJ BAA22262.1 'zinc regulatory factor [Homo sapiens]' 30.50 200 100 100 5e-32 BMRB 6275 'metal-response element-binding transcription factor-1' 34.46 177 100 100 2e-29 BMRB 6276 'metal-response element-binding transcription factor-1' 34.46 177 100 100 2e-29 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type non-polymer _Name_common "ZN (ZINC ION)" _BMRB_code . _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 10:53:48 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Organ _Tissue _Fraction _Plasmid _Gene_mnemonic $MTF-1 mouse 10090 Eukaryota Metazoa Mus musculus ubiquitous ubiquitous 'cytoplasm and nucleus' 'I.M.A.G.E. Consortium Clone ID 1260636' MTF-1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $MTF-1 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_all_samples _Saveframe_category sample _Sample_type solution _Details ; All spectra were recorded with 95% H2O/5% D2O. B-mercaptoethanol was added to all samples due to hypersensitivity of cysteine thiols to oxidation ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $MTF-1 . mM 0.3 0.35 '[U-98% 13C; U-98% 15N]' B-mercaptoethanol 5 mM . . . MES 20 mM . . . H2O 95 % . . . D2O 5 % . . . stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Task 'Data analysis' stop_ _Details ; Johnson, B.A. and Blevins, R.A.(1994) NMRView: A computer program for the visualization and analysis of NMR Data. J. Biomol. NMR 4, 603-614. ; save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 97.027.12.56 loop_ _Task 'Raw spectral data processing' stop_ _Details ; Delaglio, F., Grzesiek, S., Vuister, G.W., Zhu, G., Pfeifer, J., & Bax, A. (1995). NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J. Biomol. NMR 6, 277-293. ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label $all_samples save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $all_samples save_ save_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $all_samples save_ save_(HCA)CO(CA)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name (HCA)CO(CA)NH _Sample_label $all_samples save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $all_samples save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details 'A Varian {1H, 13C, 15N} 5mm triple resonance probe was used for experiments' save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details 'A Varian {1H, 13C, 15N} 5mm triple resonance probe was used for experiments' save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details 'A Varian {1H, 13C, 15N} 5mm triple resonance probe was used for experiments' save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name (HCA)CO(CA)NH _BMRB_pulse_sequence_accession_number . _Details 'A Varian {1H, 13C, 15N} 5mm triple resonance probe was used for experiments' save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details 'A Varian {1H, 13C, 15N} 5mm triple resonance probe was used for experiments' save_ ####################### # Sample conditions # ####################### save_cond_1 _Saveframe_category sample_conditions _Details ; Protein was produced in a reduced lyopholized form (free thiols). Protein was subsequently resuspended in degassed buffer under anaerobic conditions. ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.9 0.05 pH temperature 293 0.1 K 'ionic strength' 0.01 0.01 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_MTF-1_F5-6 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $all_samples stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'MTF-1 subunit 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 PRO CA C 62.2 0.31 1 2 . 2 PHE H H 8.17 0.015 1 3 . 2 PHE C C 174.5 0.08 1 4 . 2 PHE CA C 57.9 0.31 1 5 . 2 PHE CB C 39.9 0.31 1 6 . 2 PHE N N 122.7 0.14 1 7 . 3 ARG H H 8.81 0.015 1 8 . 3 ARG C C 174.6 0.08 1 9 . 3 ARG CA C 55.4 0.31 1 10 . 3 ARG CB C 32.9 0.31 1 11 . 3 ARG N N 125.7 0.14 1 12 . 4 CYS H H 8.89 0.015 1 13 . 4 CYS C C 175.9 0.08 1 14 . 4 CYS CA C 61.0 0.31 1 15 . 4 CYS CB C 30.7 0.31 1 16 . 4 CYS N N 127.8 0.14 1 17 . 5 ASP H H 8.65 0.015 1 18 . 5 ASP C C 176.2 0.08 1 19 . 5 ASP CA C 54.0 0.31 1 20 . 5 ASP CB C 41.2 0.31 1 21 . 5 ASP N N 129.9 0.14 1 22 . 6 HIS H H 8.93 0.015 1 23 . 6 HIS C C 176.4 0.08 1 24 . 6 HIS CA C 58.4 0.31 1 25 . 6 HIS CB C 30.5 0.31 1 26 . 6 HIS N N 125.7 0.14 1 27 . 7 ASP H H 8.34 0.015 1 28 . 7 ASP C C 177.1 0.08 1 29 . 7 ASP CA C 56.5 0.31 1 30 . 7 ASP CB C 40.8 0.31 1 31 . 7 ASP N N 129.7 0.14 1 32 . 8 GLY H H 8.72 0.015 1 33 . 8 GLY C C 173.1 0.08 1 34 . 8 GLY CA C 45.7 0.31 1 35 . 8 GLY N N 113.4 0.14 1 36 . 9 CYS H H 7.85 0.015 1 37 . 9 CYS C C 175.8 0.08 1 38 . 9 CYS CA C 60.8 0.31 1 39 . 9 CYS CB C 30.0 0.31 1 40 . 9 CYS N N 124.4 0.14 1 41 . 10 GLY H H 8.34 0.015 1 42 . 10 GLY C C 174.4 0.08 1 43 . 10 GLY CA C 45.1 0.31 1 44 . 10 GLY N N 106.3 0.14 1 45 . 11 LYS H H 7.91 0.015 1 46 . 11 LYS C C 174.0 0.08 1 47 . 11 LYS CA C 57.9 0.31 1 48 . 11 LYS CB C 33.8 0.31 1 49 . 11 LYS N N 122.6 0.14 1 50 . 12 ALA H H 7.75 0.015 1 51 . 12 ALA C C 176.2 0.08 1 52 . 12 ALA CA C 50.4 0.31 1 53 . 12 ALA CB C 22.1 0.31 1 54 . 12 ALA N N 122.9 0.14 1 55 . 13 PHE H H 8.49 0.015 1 56 . 13 PHE C C 175.4 0.08 1 57 . 13 PHE CA C 57.2 0.31 1 58 . 13 PHE CB C 44.3 0.31 1 59 . 13 PHE N N 117.4 0.14 1 60 . 14 ALA C C 177.4 0.08 1 61 . 14 ALA CA C 53.9 0.31 1 62 . 14 ALA CB C 19.6 0.31 1 63 . 15 ALA H H 7.58 0.015 1 64 . 15 ALA C C 177.4 0.08 1 65 . 15 ALA CA C 50.4 0.31 1 66 . 15 ALA CB C 21.9 0.31 1 67 . 15 ALA N N 117.9 0.14 1 68 . 16 SER H H 8.43 0.015 1 69 . 16 SER C C 177.5 0.08 1 70 . 16 SER CA C 58.4 0.31 1 71 . 16 SER CB C 64.0 0.31 1 72 . 16 SER N N 119.8 0.14 1 73 . 17 HIS C C 177.5 0.08 1 74 . 17 HIS CA C 59.3 0.31 1 75 . 17 HIS CB C 29.5 0.31 1 76 . 18 HIS H H 6.16 0.015 1 77 . 18 HIS C C 178.5 0.08 1 78 . 18 HIS CA C 57.3 0.31 1 79 . 18 HIS CB C 31.8 0.31 1 80 . 18 HIS N N 119.8 0.14 1 81 . 19 LEU H H 6.86 0.015 1 82 . 19 LEU C C 177.1 0.08 1 83 . 19 LEU CA C 57.8 0.31 1 84 . 19 LEU CB C 40.7 0.31 1 85 . 19 LEU N N 121.5 0.14 1 86 . 20 LYS H H 7.88 0.015 1 87 . 20 LYS C C 179.1 0.08 1 88 . 20 LYS CA C 59.9 0.31 1 89 . 20 LYS CB C 32.2 0.31 1 90 . 20 LYS N N 119.2 0.14 1 91 . 21 THR H H 7.59 0.015 1 92 . 21 THR C C 176.2 0.08 1 93 . 21 THR CA C 66.1 0.31 1 94 . 21 THR CB C 68.7 0.31 1 95 . 21 THR N N 114.8 0.14 1 96 . 22 HIS H H 7.45 0.015 1 97 . 22 HIS C C 178.3 0.08 1 98 . 22 HIS CA C 59.5 0.31 1 99 . 22 HIS CB C 28.8 0.31 1 100 . 22 HIS N N 121.7 0.14 1 101 . 23 VAL H H 8.75 0.015 1 102 . 23 VAL C C 177.8 0.08 1 103 . 23 VAL CA C 66.7 0.31 1 104 . 23 VAL CB C 31.9 0.31 1 105 . 23 VAL N N 120.0 0.14 1 106 . 24 ARG H H 6.89 0.015 1 107 . 24 ARG C C 178.1 0.08 1 108 . 24 ARG CA C 58.3 0.31 1 109 . 24 ARG CB C 30.0 0.31 1 110 . 24 ARG N N 118.9 0.14 1 111 . 25 THR H H 7.72 0.015 1 112 . 25 THR C C 175.7 0.08 1 113 . 25 THR CA C 64.1 0.31 1 114 . 25 THR CB C 69.3 0.31 1 115 . 25 THR N N 110.7 0.14 1 116 . 26 HIS H H 7.10 0.015 1 117 . 26 HIS C C 175.5 0.08 1 118 . 26 HIS CA C 55.8 0.31 1 119 . 26 HIS CB C 28.5 0.31 1 120 . 26 HIS N N 119.3 0.14 1 121 . 27 THR H H 7.61 0.015 1 122 . 27 THR C C 175.1 0.08 1 123 . 27 THR CA C 62.3 0.31 1 124 . 27 THR N N 113.4 0.14 1 125 . 28 GLY H H 8.28 0.015 1 126 . 28 GLY C C 174.0 0.08 1 127 . 28 GLY CA C 45.5 0.31 1 128 . 28 GLY N N 111.6 0.14 1 129 . 29 GLU H H 8.06 0.015 1 130 . 29 GLU C C 176.3 0.08 1 131 . 29 GLU CA C 56.7 0.31 1 132 . 29 GLU CB C 30.7 0.31 1 133 . 29 GLU N N 121.2 0.14 1 134 . 30 ARG H H 8.34 0.015 1 135 . 30 ARG C C 174.1 0.08 1 136 . 30 ARG CA C 54.0 0.31 1 137 . 30 ARG CB C 32.9 0.31 1 138 . 30 ARG N N 123.9 0.14 1 139 . 31 PRO C C 176.0 0.08 1 140 . 31 PRO CA C 63.6 0.31 1 141 . 31 PRO CB C 32.5 0.31 1 142 . 32 PHE H H 7.93 0.015 1 143 . 32 PHE C C 174.7 0.08 1 144 . 32 PHE CA C 57.6 0.31 1 145 . 32 PHE CB C 39.6 0.31 1 146 . 32 PHE N N 118.5 0.14 1 147 . 33 PHE H H 8.30 0.015 1 148 . 33 PHE C C 173.8 0.08 1 149 . 33 PHE CA C 55.8 0.31 1 150 . 33 PHE CB C 40.5 0.31 1 151 . 33 PHE N N 123.3 0.14 1 152 . 34 CYS H H 8.38 0.015 1 153 . 34 CYS C C 175.7 0.08 1 154 . 34 CYS CA C 57.7 0.31 1 155 . 34 CYS CB C 30.9 0.31 1 156 . 34 CYS N N 126.4 0.14 1 157 . 35 PRO C C 177.1 0.08 1 158 . 35 PRO CA C 63.6 0.31 1 159 . 35 PRO CB C 32.6 0.31 1 160 . 36 SER H H 8.74 0.015 1 161 . 36 SER C C 175.7 0.08 1 162 . 36 SER CA C 60.3 0.31 1 163 . 36 SER CB C 62.9 0.31 1 164 . 36 SER N N 122.2 0.14 1 165 . 37 ASN H H 8.67 0.015 1 166 . 37 ASN C C 176.9 0.08 1 167 . 37 ASN CA C 55.7 0.31 1 168 . 37 ASN CB C 38.4 0.31 1 169 . 37 ASN N N 127.5 0.14 1 170 . 38 GLY H H 9.07 0.015 1 171 . 38 GLY C C 173.8 0.08 1 172 . 38 GLY CA C 45.7 0.31 1 173 . 38 GLY N N 115.5 0.14 1 174 . 39 CYS H H 7.88 0.015 1 175 . 39 CYS C C 176.1 0.08 1 176 . 39 CYS CA C 60.8 0.31 1 177 . 39 CYS CB C 29.4 0.31 1 178 . 39 CYS N N 123.4 0.14 1 179 . 40 GLU C C 176.2 0.08 1 180 . 40 GLU CA C 56.3 0.31 1 181 . 40 GLU CB C 29.4 0.31 1 182 . 41 LYS H H 7.99 0.015 1 183 . 41 LYS C C 175.3 0.08 1 184 . 41 LYS CA C 57.3 0.31 1 185 . 41 LYS CB C 33.6 0.31 1 186 . 41 LYS N N 122.0 0.14 1 187 . 42 THR H H 7.34 0.015 1 188 . 42 THR C C 173.4 0.08 1 189 . 42 THR CA C 59.6 0.31 1 190 . 42 THR CB C 71.8 0.31 1 191 . 42 THR N N 110.7 0.14 1 192 . 43 PHE H H 8.64 0.015 1 193 . 43 PHE C C 175.5 0.08 1 194 . 43 PHE CA C 57.6 0.31 1 195 . 43 PHE CB C 44.3 0.31 1 196 . 43 PHE N N 117.5 0.14 1 197 . 44 SER C C 174.5 0.08 1 198 . 44 SER CA C 60.1 0.31 1 199 . 44 SER CB C 64.4 0.31 1 200 . 45 THR H H 7.18 0.015 1 201 . 45 THR C C 173.5 0.08 1 202 . 45 THR CA C 59.2 0.31 1 203 . 45 THR CB C 73.2 0.31 1 204 . 45 THR N N 107.7 0.14 1 205 . 46 GLN H H 8.46 0.015 1 206 . 46 GLN C C 177.9 0.08 1 207 . 46 GLN CA C 58.5 0.31 1 208 . 46 GLN CB C 28.2 0.31 1 209 . 46 GLN N N 122.9 0.14 1 210 . 47 TYR H H 8.04 0.015 1 211 . 47 TYR C C 178.2 0.08 1 212 . 47 TYR CA C 61.2 0.31 1 213 . 47 TYR CB C 38.0 0.31 1 214 . 47 TYR N N 119.6 0.14 1 215 . 48 SER H H 7.82 0.015 1 216 . 48 SER C C 176.9 0.08 1 217 . 48 SER CA C 61.2 0.31 1 218 . 48 SER CB C 62.8 0.31 1 219 . 48 SER N N 117.2 0.14 1 220 . 49 LEU H H 7.10 0.015 1 221 . 49 LEU C C 177.5 0.08 1 222 . 49 LEU CA C 58.1 0.31 1 223 . 49 LEU CB C 40.7 0.31 1 224 . 49 LEU N N 125.0 0.14 1 225 . 50 LYS H H 8.26 0.015 1 226 . 50 LYS C C 179.6 0.08 1 227 . 50 LYS CA C 59.9 0.31 1 228 . 50 LYS CB C 31.9 0.31 1 229 . 50 LYS N N 120.0 0.14 1 230 . 51 SER H H 7.66 0.015 1 231 . 51 SER C C 176.9 0.08 1 232 . 51 SER CA C 61.2 0.31 1 233 . 51 SER CB C 62.5 0.31 1 234 . 51 SER N N 114.2 0.14 1 235 . 52 HIS H H 7.39 0.015 1 236 . 52 HIS C C 177.8 0.08 1 237 . 52 HIS CA C 59.0 0.31 1 238 . 52 HIS CB C 28.6 0.31 1 239 . 52 HIS N N 121.9 0.14 1 240 . 53 MET H H 8.29 0.015 1 241 . 53 MET C C 177.8 0.08 1 242 . 53 MET CA C 58.8 0.31 1 243 . 53 MET CB C 32.1 0.31 1 244 . 53 MET N N 118.3 0.14 1 245 . 54 LYS H H 7.06 0.015 1 246 . 54 LYS C C 177.0 0.08 1 247 . 54 LYS CA C 58.3 0.31 1 248 . 54 LYS CB C 32.1 0.31 1 249 . 54 LYS N N 118.5 0.14 1 250 . 55 GLY H H 7.53 0.015 1 251 . 55 GLY C C 174.2 0.08 1 252 . 55 GLY CA C 45.1 0.31 1 253 . 55 GLY N N 105.6 0.14 1 254 . 56 HIS H H 7.04 0.015 1 255 . 56 HIS C C 179.7 0.08 1 256 . 56 HIS CA C 57.5 0.31 1 257 . 56 HIS CB C 30.2 0.31 1 258 . 56 HIS N N 124.8 0.14 1 stop_ save_