data_17130 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Zif 268 with 12bp DNA ; _BMRB_accession_number 17130 _BMRB_flat_file_name bmr17130.str _Entry_type original _Submission_date 2010-08-16 _Accession_date 2010-08-16 _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 Takayama Yuki . . 2 Sahu Debashish . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 82 "13C chemical shifts" 175 "15N chemical shifts" 82 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-09-24 original author . stop_ _Original_release_date 2010-09-24 save_ ############################# # Citation for this entry # ############################# save_Biochemistry _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR studies of translocation of the Zif268 protein between its target DNA Sites.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20718505 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Takayama Yuki . . 2 Sahu Debashish . . 3 Iwahara Junji . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 49 _Journal_issue 37 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7998 _Page_last 8005 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name zif268-12bpDNA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label zif268 $zif268 zinc1 $ZN zinc2 $ZN zinc3 $ZN '12bp DNA' $12bp_DNA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_zif268 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common zif268 _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 90 _Mol_residue_sequence ; PERPYACPVESCDRRFSRSD ELTRHIRIHTGQKPFQCRIC MRNFSRSDHLTTHIRTHTGE KPFACDICGRKFARSDERKR HTKIHLRQKD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 PRO 2 1 GLU 3 2 ARG 4 3 PRO 5 4 TYR 6 5 ALA 7 6 CYS 8 7 PRO 9 8 VAL 10 9 GLU 11 10 SER 12 11 CYS 13 12 ASP 14 13 ARG 15 14 ARG 16 15 PHE 17 16 SER 18 17 ARG 19 18 SER 20 19 ASP 21 20 GLU 22 21 LEU 23 22 THR 24 23 ARG 25 24 HIS 26 25 ILE 27 26 ARG 28 27 ILE 29 28 HIS 30 29 THR 31 30 GLY 32 31 GLN 33 32 LYS 34 33 PRO 35 34 PHE 36 35 GLN 37 36 CYS 38 37 ARG 39 38 ILE 40 39 CYS 41 40 MET 42 41 ARG 43 42 ASN 44 43 PHE 45 44 SER 46 45 ARG 47 46 SER 48 47 ASP 49 48 HIS 50 49 LEU 51 50 THR 52 51 THR 53 52 HIS 54 53 ILE 55 54 ARG 56 55 THR 57 56 HIS 58 57 THR 59 58 GLY 60 59 GLU 61 60 LYS 62 61 PRO 63 62 PHE 64 63 ALA 65 64 CYS 66 65 ASP 67 66 ILE 68 67 CYS 69 68 GLY 70 69 ARG 71 70 LYS 72 71 PHE 73 72 ALA 74 73 ARG 75 74 SER 76 75 ASP 77 76 GLU 78 77 ARG 79 78 LYS 80 79 ARG 81 80 HIS 82 81 THR 83 82 LYS 84 83 ILE 85 84 HIS 86 85 LEU 87 86 ARG 88 87 GLN 89 88 LYS 90 89 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 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 PDB 1A1I "Radr (Zif268 Variant) Zinc Finger-Dna Complex (Gcac Site)" 98.89 90 97.75 98.88 5.45e-55 PDB 1A1J "Radr (Zif268 Variant) Zinc Finger-Dna Complex (Gcgt Site)" 98.89 90 97.75 98.88 5.45e-55 PDB 1A1K "Radr (Zif268 Variant) Zinc Finger-Dna Complex (Gacc Site)" 98.89 90 97.75 98.88 5.45e-55 PDB 1A1L "Zif268 Zinc Finger-Dna Complex (Gcac Site)" 98.89 90 100.00 100.00 1.59e-56 PDB 1AAY "Zif268 Zinc Finger-Dna Complex" 98.89 90 100.00 100.00 1.59e-56 PDB 1JK1 "Zif268 D20a Mutant Bound To Wt Dna Site" 98.89 90 98.88 98.88 1.35e-55 PDB 1JK2 "Zif268 D20a Mutant Bound To The Gct Dna Site" 98.89 90 98.88 98.88 1.35e-55 PDB 1P47 "Crystal Structure Of Tandem Zif268 Molecules Complexed To Dna" 96.67 87 100.00 100.00 7.31e-55 PDB 1ZAA "Zinc Finger-Dna Recognition: Crystal Structure Of A Zif268- Dna Complex At 2.1 Angstroms" 95.56 87 100.00 100.00 4.97e-54 PDB 4R2A "Egr1/zif268 Zinc Fingers In Complex With Methylated Dna" 98.89 94 100.00 100.00 2.09e-56 PDB 4R2C "Egr1/zif268 Zinc Fingers In Complex With Hydroxymethylated Dna" 98.89 94 100.00 100.00 2.09e-56 PDB 4R2D "Egr1/zif268 Zinc Fingers In Complex With Formylated Dna" 98.89 94 100.00 100.00 2.09e-56 PDB 4X9J "Egr-1 With Doubly Methylated Dna" 98.89 89 100.00 100.00 1.80e-56 DBJ BAC29885 "unnamed protein product [Mus musculus]" 98.89 533 98.88 98.88 8.05e-55 DBJ BAC30748 "unnamed protein product [Mus musculus]" 98.89 533 100.00 100.00 1.23e-55 DBJ BAE21758 "unnamed protein product [Mus musculus]" 98.89 421 100.00 100.00 2.87e-58 DBJ BAE26289 "unnamed protein product [Mus musculus]" 98.89 533 100.00 100.00 1.19e-55 DBJ BAE27077 "unnamed protein product [Mus musculus]" 98.89 533 100.00 100.00 1.23e-55 EMBL CAA36777 "unnamed protein product [Homo sapiens]" 98.89 543 100.00 100.00 6.61e-56 EMBL CAB46678 "early growth response protein 1 [Homo sapiens]" 98.89 543 100.00 100.00 6.61e-56 EMBL CAB60137 "early growth response protein 1(Egr-1, NGFI-A) [Sus scrofa]" 66.67 193 98.33 98.33 1.89e-33 EMBL CAG31294 "hypothetical protein RCJMB04_4l24 [Gallus gallus]" 98.89 510 100.00 100.00 1.19e-57 EMBL CDQ66955 "unnamed protein product [Oncorhynchus mykiss]" 96.67 490 97.70 100.00 9.57e-54 GB AAA35815 "ETR103 [Homo sapiens]" 98.89 543 100.00 100.00 6.61e-56 GB AAA37544 "Egr-1 protein [Mus musculus]" 98.89 533 100.00 100.00 1.23e-55 GB AAA39382 "Krox-24 protein, partial [Mus musculus]" 98.89 484 100.00 100.00 5.81e-58 GB AAA40416 "growth factor-induced protein [Mus musculus]" 98.89 533 100.00 100.00 1.23e-55 GB AAA60740 "nerve growth factor [Rattus norvegicus]" 98.89 508 100.00 100.00 1.12e-55 REF NP_001039340 "early growth response protein 1 [Bos taurus]" 98.89 540 97.75 97.75 4.95e-52 REF NP_001074426 "early growth response protein 1 [Taeniopygia guttata]" 98.89 510 100.00 100.00 1.18e-57 REF NP_001083862 "early growth response protein 1-A [Xenopus laevis]" 98.89 497 98.88 98.88 4.41e-57 REF NP_001084566 "early growth response protein 1-B [Xenopus laevis]" 98.89 475 100.00 100.00 8.99e-58 REF NP_001090830 "early growth response protein 1 [Xenopus (Silurana) tropicalis]" 98.89 499 100.00 100.00 7.49e-58 SP A4II20 "RecName: Full=Early growth response protein 1; Short=EGR-1" 98.89 498 100.00 100.00 7.43e-58 SP O73691 "RecName: Full=Early growth response protein 1; Short=EGR-1; AltName: Full=Zinc finger protein ZENK" 87.78 194 100.00 100.00 1.07e-50 SP O73692 "RecName: Full=Early growth response protein 1; Short=EGR-1; AltName: Full=Zinc finger protein ZENK" 87.78 194 100.00 100.00 1.31e-50 SP O73693 "RecName: Full=Early growth response protein 1; Short=EGR-1; AltName: Full=Zinc finger protein ZENK" 87.78 193 100.00 100.00 2.60e-50 SP P08046 "RecName: Full=Early growth response protein 1; Short=EGR-1; AltName: Full=Nerve growth factor-induced protein A; Short=NGFI-A; " 98.89 533 100.00 100.00 1.23e-55 TPG DAA27412 "TPA: early growth response protein 1 [Bos taurus]" 98.89 542 100.00 100.00 5.12e-56 stop_ save_ save_12bp_DNA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class DNA _Name_common 12bp_DNA _Molecular_mass . _Mol_thiol_state 'not present' _Details 'double stranded DNA duplex' _Residue_count 24 _Mol_residue_sequence ; AGCGTGGGCGTATACGCCCA CGCA ; loop_ _Residue_seq_code _Residue_label 1 DA 2 DG 3 DC 4 DG 5 DT 6 DG 7 DG 8 DG 9 DC 10 DG 11 DT 12 DA 13 DT 14 DA 15 DC 16 DG 17 DC 18 DC 19 DC 20 DA 21 DC 22 DG 23 DC 24 DA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 no _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:52:42 2009 ; 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 'not present' _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 $zif268 'house mouse' 10090 Eukaryota Metazoa Mus musculus 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 $zif268 'recombinant technology' . Escherichia coli . pET49b+zif268 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling TRIS 10 mM 'natural abundance' 'potassium chloride' 20 mM 'natural abundance' $zif268 1 mM '[U-13C; U-15N]' $12bp_DNA 1.2 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Uniform NMR System' _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CACO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CACO)NH' _Sample_label $sample_1 save_ save_15N_Edited_NOESY-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '15N Edited NOESY-HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 6.8 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _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 water C 13 protons ppm 4.677 na indirect . . . 0.251449530 water H 1 protons ppm 4.677 internal direct . . . 1.000000000 water N 15 protons ppm 4.677 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCACO' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D C(CO)NH' '3D H(CACO)NH' '15N Edited NOESY-HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name zif268 _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 0 1 PRO C C 176.81 0.05 1 2 0 1 PRO CA C 63.5 0.1 1 3 1 2 GLU H H 8.539 0.004 1 4 1 2 GLU C C 176.38 0.05 1 5 1 2 GLU CA C 56.8 0.1 1 6 1 2 GLU N N 120.62 0.01 1 7 2 3 ARG H H 8.492 0.004 1 8 2 3 ARG C C 174.23 0.05 1 9 2 3 ARG CA C 53.9 0.1 1 10 2 3 ARG N N 122.06 0.01 1 11 3 4 PRO C C 176.81 0.05 1 12 3 4 PRO CA C 63.8 0.1 1 13 4 5 TYR H H 7.804 0.004 1 14 4 5 TYR C C 174.43 0.05 1 15 4 5 TYR CA C 58.0 0.1 1 16 4 5 TYR N N 117.13 0.01 1 17 5 6 ALA H H 8.483 0.004 1 18 5 6 ALA C C 175.91 0.05 1 19 5 6 ALA CA C 51.0 0.1 1 20 5 6 ALA N N 127.86 0.01 1 21 6 7 CYS H H 8.389 0.004 1 22 6 7 CYS C C 175.89 0.05 1 23 6 7 CYS CA C 58.3 0.1 1 24 6 7 CYS N N 125.72 0.01 1 25 7 8 PRO C C 177.10 0.05 1 26 7 8 PRO CA C 63.6 0.1 1 27 8 9 VAL H H 8.582 0.004 1 28 8 9 VAL C C 177.06 0.05 1 29 8 9 VAL CA C 64.6 0.1 1 30 8 9 VAL N N 126.81 0.01 1 31 9 10 GLU H H 8.768 0.004 1 32 9 10 GLU C C 177.06 0.05 1 33 9 10 GLU CA C 59.4 0.1 1 34 9 10 GLU N N 129.42 0.01 1 35 10 11 SER H H 8.005 0.004 1 36 10 11 SER C C 172.82 0.05 1 37 10 11 SER CA C 59.2 0.1 1 38 10 11 SER N N 112.50 0.01 1 39 11 12 CYS H H 7.987 0.004 1 40 11 12 CYS C C 174.83 0.05 1 41 11 12 CYS CA C 59.9 0.1 1 42 11 12 CYS N N 125.93 0.01 1 43 12 13 ASP H H 8.420 0.004 1 44 12 13 ASP C C 176.76 0.05 1 45 12 13 ASP CA C 53.9 0.1 1 46 12 13 ASP N N 124.03 0.01 1 47 13 14 ARG H H 8.307 0.004 1 48 13 14 ARG C C 175.57 0.05 1 49 13 14 ARG CA C 57.4 0.1 1 50 13 14 ARG N N 121.19 0.01 1 51 14 15 ARG H H 7.752 0.004 1 52 14 15 ARG C C 175.24 0.05 1 53 14 15 ARG CA C 54.3 0.1 1 54 14 15 ARG N N 118.44 0.01 1 55 15 16 PHE H H 8.972 0.004 1 56 15 16 PHE C C 175.68 0.05 1 57 15 16 PHE CA C 57.5 0.1 1 58 15 16 PHE N N 118.29 0.01 1 59 16 17 SER H H 8.901 0.004 1 60 16 17 SER C C 174.28 0.05 1 61 16 17 SER CA C 62.1 0.1 1 62 16 17 SER N N 118.12 0.01 1 63 17 18 ARG H H 8.406 0.004 1 64 17 18 ARG C C 177.28 0.05 1 65 17 18 ARG CA C 54.5 0.1 1 66 17 18 ARG N N 117.64 0.01 1 67 18 19 SER H H 8.496 0.004 1 68 18 19 SER C C 176.72 0.05 1 69 18 19 SER CA C 61.0 0.1 1 70 18 19 SER N N 118.36 0.01 1 71 19 20 ASP H H 8.572 0.004 1 72 19 20 ASP C C 178.67 0.05 1 73 19 20 ASP CA C 56.6 0.1 1 74 19 20 ASP N N 118.78 0.01 1 75 20 21 GLU H H 6.830 0.004 1 76 20 21 GLU C C 179.09 0.05 1 77 20 21 GLU CA C 58.4 0.1 1 78 20 21 GLU N N 120.62 0.01 1 79 21 22 LEU H H 6.877 0.004 1 80 21 22 LEU C C 177.30 0.05 1 81 21 22 LEU CA C 58.0 0.1 1 82 21 22 LEU N N 121.15 0.01 1 83 22 23 THR H H 8.232 0.004 1 84 22 23 THR C C 175.95 0.05 1 85 22 23 THR CA C 67.0 0.1 1 86 22 23 THR N N 115.85 0.01 1 87 23 24 ARG H H 7.419 0.004 1 88 23 24 ARG C C 177.86 0.05 1 89 23 24 ARG CA C 59.9 0.1 1 90 23 24 ARG N N 119.72 0.01 1 91 24 25 HIS H H 7.593 0.004 1 92 24 25 HIS C C 59.77 0.05 1 93 24 25 HIS CA C 176.9 0.1 1 94 24 25 HIS N N 118.80 0.01 1 95 25 26 ILE H H 8.617 0.004 1 96 25 26 ILE C C 177.19 0.05 1 97 25 26 ILE CA C 65.8 0.1 1 98 25 26 ILE N N 117.55 0.01 1 99 26 27 ARG H H 7.151 0.004 1 100 26 27 ARG C C 179.54 0.05 1 101 26 27 ARG CA C 59.6 0.1 1 102 26 27 ARG N N 117.28 0.01 1 103 27 28 ILE H H 8.363 0.004 1 104 27 28 ILE C C 178.27 0.05 1 105 27 28 ILE CA C 64.7 0.1 1 106 27 28 ILE N N 119.62 0.01 1 107 28 29 HIS H H 7.418 0.004 1 108 28 29 HIS C C 177.39 0.05 1 109 28 29 HIS CA C 56.6 0.1 1 110 28 29 HIS N N 117.12 0.01 1 111 29 30 THR H H 8.176 0.004 1 112 29 30 THR C C 177.03 0.05 1 113 29 30 THR CA C 62.3 0.1 1 114 29 30 THR N N 107.59 0.01 1 115 30 31 GLY H H 8.063 0.004 1 116 30 31 GLY C C 174.25 0.05 1 117 30 31 GLY CA C 46.0 0.1 1 118 30 31 GLY N N 110.45 0.01 1 119 31 32 GLN H H 7.487 0.004 1 120 31 32 GLN C C 175.98 0.05 1 121 31 32 GLN CA C 57.3 0.1 1 122 31 32 GLN N N 119.55 0.01 1 123 32 33 LYS H H 8.405 0.004 1 124 32 33 LYS C C 173.85 0.05 1 125 32 33 LYS CA C 54.1 0.1 1 126 32 33 LYS N N 125.25 0.01 1 127 33 34 PRO C C 175.93 0.05 1 128 33 34 PRO CA C 63.8 0.1 1 129 34 35 PHE H H 7.793 0.004 1 130 34 35 PHE C C 174.27 0.05 1 131 34 35 PHE CA C 57.4 0.1 1 132 34 35 PHE N N 117.24 0.01 1 133 35 36 GLN H H 8.942 0.004 1 134 35 36 GLN C C 174.77 0.05 1 135 35 36 GLN CA C 55.3 0.1 1 136 35 36 GLN N N 125.44 0.01 1 137 36 37 CYS H H 9.239 0.004 1 138 36 37 CYS C C 176.92 0.05 1 139 36 37 CYS CA C 59.9 0.1 1 140 36 37 CYS N N 128.92 0.01 1 141 37 38 ARG H H 9.033 0.004 1 142 37 38 ARG C C 175.71 0.05 1 143 37 38 ARG CA C 57.7 0.1 1 144 37 38 ARG N N 130.08 0.01 1 145 38 39 ILE H H 8.883 0.004 1 146 38 39 ILE C C 176.72 0.05 1 147 38 39 ILE CA C 63.9 0.1 1 148 38 39 ILE N N 122.02 0.01 1 149 39 40 CYS H H 8.425 0.004 1 150 39 40 CYS C C 175.80 0.05 1 151 39 40 CYS CA C 58.5 0.1 1 152 39 40 CYS N N 117.70 0.01 1 153 40 41 MET H H 8.054 0.004 1 154 40 41 MET C C 175.13 0.05 1 155 40 41 MET CA C 57.6 0.1 1 156 40 41 MET N N 117.50 0.01 1 157 41 42 ARG H H 8.198 0.004 1 158 41 42 ARG C C 173.91 0.05 1 159 41 42 ARG CA C 57.9 0.1 1 160 41 42 ARG N N 122.79 0.01 1 161 42 43 ASN H H 8.004 0.004 1 162 42 43 ASN C C 174.01 0.05 1 163 42 43 ASN CA C 52.7 0.1 1 164 42 43 ASN N N 121.37 0.01 1 165 43 44 PHE H H 9.291 0.004 1 166 43 44 PHE C C 175.75 0.05 1 167 43 44 PHE CA C 57.8 0.1 1 168 43 44 PHE N N 118.01 0.01 1 169 44 45 SER H H 9.745 0.004 1 170 44 45 SER C C 174.81 0.05 1 171 44 45 SER CA C 60.5 0.1 1 172 44 45 SER N N 117.03 0.01 1 173 45 46 ARG H H 7.743 0.004 1 174 45 46 ARG C C 176.16 0.05 1 175 45 46 ARG CA C 55.2 0.1 1 176 45 46 ARG N N 119.31 0.01 1 177 46 47 SER H H 8.662 0.004 1 178 46 47 SER C C 176.63 0.05 1 179 46 47 SER CA C 63.2 0.1 1 180 46 47 SER N N 121.46 0.01 1 181 47 48 ASP H H 8.664 0.004 1 182 47 48 ASP C C 176.13 0.05 1 183 47 48 ASP CA C 56.9 0.1 1 184 47 48 ASP N N 121.47 0.01 1 185 48 49 HIS H H 8.010 0.004 1 186 48 49 HIS N N 118.29 0.01 1 187 49 50 LEU C C 177.41 0.05 1 188 49 50 LEU CA C 58.4 0.1 1 189 50 51 THR H H 8.116 0.004 1 190 50 51 THR CA C 67.7 0.1 1 191 50 51 THR N N 116.25 0.01 1 192 52 53 HIS C C 179.25 0.05 1 193 52 53 HIS CA C 60.2 0.1 1 194 53 54 ILE H H 8.870 0.004 1 195 53 54 ILE C C 178.06 0.05 1 196 53 54 ILE CA C 66.6 0.1 1 197 53 54 ILE N N 123.45 0.01 1 198 54 55 ARG H H 7.286 0.004 1 199 54 55 ARG C C 179.72 0.05 1 200 54 55 ARG CA C 59.4 0.1 1 201 54 55 ARG N N 117.33 0.01 1 202 55 56 THR H H 8.099 0.004 1 203 55 56 THR C C 176.25 0.05 1 204 55 56 THR CA C 64.9 0.1 1 205 55 56 THR N N 112.59 0.01 1 206 56 57 HIS H H 7.592 0.004 1 207 56 57 HIS C C 177.48 0.05 1 208 56 57 HIS CA C 56.2 0.1 1 209 56 57 HIS N N 118.02 0.01 1 210 57 58 THR H H 8.040 0.004 1 211 57 58 THR C C 176.99 0.05 1 212 57 58 THR CA C 62.7 0.1 1 213 57 58 THR N N 107.69 0.01 1 214 58 59 GLY H H 8.076 0.004 1 215 58 59 GLY C C 173.98 0.05 1 216 58 59 GLY CA C 45.9 0.1 1 217 58 59 GLY N N 109.81 0.01 1 218 59 60 GLU H H 7.470 0.004 1 219 59 60 GLU C C 176.05 0.05 1 220 59 60 GLU CA C 57.6 0.1 1 221 59 60 GLU N N 121.55 0.01 1 222 60 61 LYS H H 8.336 0.004 1 223 60 61 LYS C C 173.65 0.05 1 224 60 61 LYS CA C 54.0 0.1 1 225 60 61 LYS N N 126.05 0.01 1 226 61 62 PRO C C 176.61 0.05 1 227 61 62 PRO CA C 63.2 0.1 1 228 62 63 PHE H H 7.737 0.004 1 229 62 63 PHE C C 174.34 0.05 1 230 62 63 PHE CA C 57.4 0.1 1 231 62 63 PHE N N 115.19 0.01 1 232 63 64 ALA H H 9.057 0.004 1 233 63 64 ALA C C 177.77 0.05 1 234 63 64 ALA CA C 50.7 0.1 1 235 63 64 ALA N N 126.58 0.01 1 236 64 65 CYS H H 9.395 0.004 1 237 64 65 CYS C C 176.96 0.05 1 238 64 65 CYS CA C 59.6 0.1 1 239 64 65 CYS N N 125.22 0.01 1 240 65 66 ASP H H 9.390 0.004 1 241 65 66 ASP C C 175.78 0.05 1 242 65 66 ASP CA C 56.5 0.1 1 243 65 66 ASP N N 131.51 0.01 1 244 66 67 ILE H H 8.799 0.004 1 245 66 67 ILE C C 176.97 0.05 1 246 66 67 ILE CA C 63.3 0.1 1 247 66 67 ILE N N 121.64 0.01 1 248 67 68 CYS H H 8.207 0.004 1 249 67 68 CYS C C 176.40 0.05 1 250 67 68 CYS CA C 58.3 0.1 1 251 67 68 CYS N N 116.32 0.01 1 252 68 69 GLY H H 7.905 0.004 1 253 68 69 GLY C C 173.89 0.05 1 254 68 69 GLY CA C 46.3 0.1 1 255 68 69 GLY N N 112.77 0.01 1 256 69 70 ARG H H 8.112 0.004 1 257 69 70 ARG C C 174.14 0.05 1 258 69 70 ARG CA C 57.9 0.1 1 259 69 70 ARG N N 123.29 0.01 1 260 70 71 LYS H H 7.755 0.004 1 261 70 71 LYS C C 175.44 0.05 1 262 70 71 LYS CA C 55.1 0.1 1 263 70 71 LYS N N 120.90 0.01 1 264 71 72 PHE H H 8.649 0.004 1 265 71 72 PHE C C 175.10 0.05 1 266 71 72 PHE CA C 57.1 0.1 1 267 71 72 PHE N N 116.23 0.01 1 268 72 73 ALA H H 9.486 0.004 1 269 72 73 ALA C C 177.19 0.05 1 270 72 73 ALA CA C 55.1 0.1 1 271 72 73 ALA N N 123.96 0.01 1 272 73 74 ARG H H 7.734 0.004 1 273 73 74 ARG C C 177.95 0.05 1 274 73 74 ARG CA C 54.2 0.1 1 275 73 74 ARG N N 112.38 0.01 1 276 74 75 SER H H 8.628 0.004 1 277 74 75 SER C C 177.16 0.05 1 278 74 75 SER CA C 60.6 0.1 1 279 74 75 SER N N 120.51 0.01 1 280 75 76 ASP H H 8.726 0.004 1 281 75 76 ASP C C 178.76 0.05 1 282 75 76 ASP CA C 56.4 0.1 1 283 75 76 ASP N N 120.72 0.01 1 284 76 77 GLU H H 6.720 0.004 1 285 76 77 GLU C C 179.25 0.05 1 286 76 77 GLU CA C 58.8 0.1 1 287 76 77 GLU N N 121.39 0.01 1 288 77 78 ARG H H 6.844 0.004 1 289 77 78 ARG C C 177.46 0.05 1 290 77 78 ARG CA C 59.3 0.1 1 291 77 78 ARG N N 120.67 0.01 1 292 78 79 LYS H H 8.124 0.004 1 293 78 79 LYS C C 178.96 0.05 1 294 78 79 LYS CA C 60.0 0.1 1 295 78 79 LYS N N 121.29 0.01 1 296 79 80 ARG H H 7.697 0.004 1 297 79 80 ARG C C 178.56 0.05 1 298 79 80 ARG CA C 59.8 0.1 1 299 79 80 ARG N N 118.94 0.01 1 300 80 81 HIS H H 7.462 0.004 1 301 80 81 HIS C C 175.75 0.05 1 302 80 81 HIS CA C 59.4 0.1 1 303 80 81 HIS N N 117.67 0.01 1 304 81 82 THR H H 8.256 0.004 1 305 81 82 THR C C 175.75 0.05 1 306 81 82 THR CA C 66.7 0.1 1 307 81 82 THR N N 111.33 0.01 1 308 82 83 LYS H H 7.152 0.004 1 309 82 83 LYS C C 178.80 0.05 1 310 82 83 LYS CA C 63.3 0.1 1 311 82 83 LYS N N 119.35 0.01 1 312 83 84 ILE H H 7.827 0.004 1 313 83 84 ILE C C 177.37 0.05 1 314 83 84 ILE CA C 63.4 0.1 1 315 83 84 ILE N N 116.42 0.01 1 316 84 85 HIS H H 7.266 0.004 1 317 84 85 HIS C C 175.31 0.05 1 318 84 85 HIS CA C 55.5 0.1 1 319 84 85 HIS N N 116.84 0.01 1 320 85 86 LEU H H 7.465 0.004 1 321 85 86 LEU C C 177.17 0.05 1 322 85 86 LEU CA C 55.5 0.1 1 323 85 86 LEU N N 120.11 0.01 1 324 86 87 ARG H H 7.996 0.004 1 325 86 87 ARG C C 176.14 0.05 1 326 86 87 ARG CA C 56.2 0.1 1 327 86 87 ARG N N 120.77 0.01 1 328 87 88 GLN H H 8.301 0.004 1 329 87 88 GLN C C 175.57 0.05 1 330 87 88 GLN CA C 56.0 0.1 1 331 87 88 GLN N N 121.81 0.01 1 332 88 89 LYS H H 8.272 0.004 1 333 88 89 LYS C C 175.17 0.05 1 334 88 89 LYS CA C 56.4 0.1 1 335 88 89 LYS N N 122.85 0.01 1 336 89 90 ASP H H 7.954 0.004 1 337 89 90 ASP C C 180.82 0.05 1 338 89 90 ASP CA C 56.1 0.1 1 339 89 90 ASP N N 127.31 0.01 1 stop_ save_