data_18192 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Sgf73(59-102) zinc finger domain ; _BMRB_accession_number 18192 _BMRB_flat_file_name bmr18192.str _Entry_type original _Submission_date 2012-01-10 _Accession_date 2012-01-10 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'First CCHH zinc finger domain of SAGA-associated factor 73' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gao Xiaojun . . 2 Koehler Christian . . 3 Bonnet Jacques . . 4 Devys Didier . . 5 Kieffer Bruno . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 218 "13C chemical shifts" 175 "15N chemical shifts" 44 "T1 relaxation values" 33 "T2 relaxation values" 33 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-23 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 18191 SGF11 stop_ _Original_release_date 2012-03-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Insights into the role of SGF11 and SGF73 for the interaction between SAGA and nucleosomes' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Koehler Christian . . 2 Gao Xiaojun . . 3 Bonnet Jacques . . 4 Devys Didier . . 5 Kieffer Bruno . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name SGF73 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SGF73 $sgf73 'ZINC ION' $entity_ZN 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_sgf73 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common sgf73 _Molecular_mass 9567.000 _Mol_thiol_state 'free and other bound' loop_ _Biological_function 'Part of the Deubiquitination complex of SAGA transcription factor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 44 _Mol_residue_sequence ; NPNAQLIEDPLDKPIQYRVC EKCGKPLALTAIVDHLENHC AGAS ; loop_ _Residue_seq_code _Residue_label 1 ASN 2 PRO 3 ASN 4 ALA 5 GLN 6 LEU 7 ILE 8 GLU 9 ASP 10 PRO 11 LEU 12 ASP 13 LYS 14 PRO 15 ILE 16 GLN 17 TYR 18 ARG 19 VAL 20 CYS 21 GLU 22 LYS 23 CYS 24 GLY 25 LYS 26 PRO 27 LEU 28 ALA 29 LEU 30 THR 31 ALA 32 ILE 33 VAL 34 ASP 35 HIS 36 LEU 37 GLU 38 ASN 39 HIS 40 CYS 41 ALA 42 GLY 43 ALA 44 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 2LO3 "Solution Structure Of Sgf73(59-102) Zinc Finger Domain" 100.00 44 100.00 100.00 6.78e-23 PDB 3M99 "Structure Of The Ubp8-Sgf11-Sgf73-Sus1 Saga Dub Module" 100.00 104 100.00 100.00 2.20e-23 PDB 3MHH "Structure Of The Saga Ubp8SGF11SUS1SGF73 DUB MODULE" 86.36 96 100.00 100.00 1.59e-18 PDB 3MHS "Structure Of The Saga Ubp8SGF11SUS1SGF73 DUB MODULE BOUND Ubiquitin Aldehyde" 86.36 96 100.00 100.00 1.59e-18 PDB 4FIP "Structure Of The Saga Ubp8(S144n)SGF11(1-72, Delta-Znf)SUS1SGF73 Dub Module" 86.36 96 100.00 100.00 1.59e-18 PDB 4FJC "Structure Of The Saga Ubp8SGF11(1-72, Delta-Znf)SUS1SGF73 DUB Module" 86.36 96 100.00 100.00 1.59e-18 PDB 4FK5 "Structure Of The Saga Ubp8(S144n)SGF11SUS1SGF73 DUB MODULE" 86.36 96 100.00 100.00 1.59e-18 PDB 4W4U "Structure Of Yeast Saga Dubm With Sgf73 Y57a Mutant At 2.8 Angstroms Resolution" 86.36 96 100.00 100.00 1.56e-18 PDB 4WA6 "Structure Of Yeast Saga Dubm With Sgf73 N59d Mutant At 2.36 Angstroms Resolution" 86.36 96 97.37 100.00 7.54e-18 DBJ GAA23323 "K7_Sgf73p [Saccharomyces cerevisiae Kyokai no. 7]" 100.00 652 100.00 100.00 4.37e-21 EMBL CAA96770 "unnamed protein product [Saccharomyces cerevisiae]" 100.00 657 100.00 100.00 5.33e-21 EMBL CAY79696 "Sgf73p [Saccharomyces cerevisiae EC1118]" 100.00 653 100.00 100.00 5.28e-21 GB AHY79310 "Sgf73p [Saccharomyces cerevisiae YJM993]" 100.00 653 97.73 100.00 2.19e-20 GB AJP38728 "Sgf73p [Saccharomyces cerevisiae YJM1078]" 100.00 653 97.73 100.00 2.19e-20 GB AJR76048 "Sgf73p [Saccharomyces cerevisiae YJM189]" 100.00 653 100.00 100.00 5.28e-21 GB AJR76549 "Sgf73p [Saccharomyces cerevisiae YJM193]" 100.00 653 100.00 100.00 5.28e-21 GB AJR77046 "Sgf73p [Saccharomyces cerevisiae YJM195]" 100.00 653 100.00 100.00 3.26e-21 REF NP_011449 "deubiquitination module subunit SGF73 [Saccharomyces cerevisiae S288c]" 100.00 657 100.00 100.00 5.33e-21 SP P53165 "RecName: Full=SAGA-associated factor 73; AltName: Full=73 kDa SAGA-associated factor; AltName: Full=SAGA histone acetyltransfer" 100.00 657 100.00 100.00 5.33e-21 TPG DAA08036 "TPA: deubiquitination module subunit SGF73 [Saccharomyces cerevisiae S288c]" 100.00 657 100.00 100.00 5.33e-21 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'ZINC ION' _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . 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 $sgf73 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $sgf73 'recombinant technology' . Escherichia coli BL21(DE3) pGex4T1 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 $sgf73 0.2 mM '[U-98% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' TCEP 0.05 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $sgf73 1 mM '[U-99% 13C; U-98% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 75 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $sgf73 0.2 mM '[U-98% 15N]' 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' TCEP 0.05 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 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_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details 'RECOORD scripts' save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-1H_COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HNCA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HNCACB_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_HNCACO_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $sample_3 save_ save_3D_HN(CO)CA_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_3 save_ save_2D_1H-1H_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_R1_edited_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC R1 edited' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_R2_edited_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC R2 edited' _Sample_label $sample_3 save_ save_2D_1H-15N_heteronuclear_NOE_18 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N heteronuclear NOE' _Sample_label $sample_3 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' 0.175 0.025 M pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.115 0.02 M pH 7.0 . pH pressure 1 . atm temperature 298 . 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 DSS C 13 'methyl protons' ppm 0 external indirect . . . 0.251449519 DSS H 1 'methyl protons' ppm 0 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 external indirect . . . 0.101329112 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 CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HCCH-TOCSY' '3D HNCACO' '3D HN(CO)CA' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_3 stop_ _Sample_conditions_label $sample_conditions_2 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name SGF73 _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 1 ASN HA H 5.0897 0.05 1 2 1 1 ASN HB3 H 3.0268 0.05 2 3 1 1 ASN CA C 53.4791 0.3 1 4 1 1 ASN CB C 39.0592 0.3 1 5 2 2 PRO HD2 H 4.0792 0.05 2 6 2 2 PRO C C 177.0374 0.3 1 7 2 2 PRO CA C 63.8123 0.3 1 8 2 2 PRO CB C 32.0896 0.3 1 9 2 2 PRO CD C 50.6819 0.3 1 10 3 3 ASN H H 8.4910 0.05 1 11 3 3 ASN HA H 4.8352 0.05 1 12 3 3 ASN HB2 H 3.0189 0.05 2 13 3 3 ASN HB3 H 2.8773 0.05 2 14 3 3 ASN C C 175.1897 0.3 1 15 3 3 ASN CA C 53.4778 0.3 1 16 3 3 ASN CB C 38.7208 0.3 1 17 3 3 ASN N N 119.7540 0.2 1 18 4 4 ALA H H 8.1309 0.05 1 19 4 4 ALA HA H 4.4133 0.05 1 20 4 4 ALA HB H 1.5449 0.05 1 21 4 4 ALA C C 177.6219 0.3 1 22 4 4 ALA CA C 53.0628 0.3 1 23 4 4 ALA CB C 19.4908 0.3 1 24 4 4 ALA N N 126.2714 0.2 1 25 5 5 GLN H H 8.4091 0.05 1 26 5 5 GLN HA H 4.4418 0.05 1 27 5 5 GLN HG2 H 2.4358 0.05 2 28 5 5 GLN C C 175.9011 0.3 1 29 5 5 GLN CA C 56.0084 0.3 1 30 5 5 GLN CB C 29.4004 0.3 1 31 5 5 GLN CG C 34.2120 0.3 1 32 5 5 GLN N N 121.2714 0.2 1 33 6 6 LEU H H 8.3350 0.05 1 34 6 6 LEU HA H 4.5021 0.05 1 35 6 6 LEU HB2 H 1.7792 0.05 2 36 6 6 LEU HB3 H 1.7284 0.05 2 37 6 6 LEU HD1 H 1.0638 0.05 2 38 6 6 LEU HD2 H 1.0036 0.05 2 39 6 6 LEU C C 177.0939 0.3 1 40 6 6 LEU CA C 55.4541 0.3 1 41 6 6 LEU CB C 42.4514 0.3 1 42 6 6 LEU CD1 C 24.8771 0.3 2 43 6 6 LEU CD2 C 23.4658 0.3 2 44 6 6 LEU N N 125.8192 0.2 1 45 7 7 ILE H H 8.2646 0.05 1 46 7 7 ILE HA H 4.3160 0.05 1 47 7 7 ILE HB H 1.9915 0.05 1 48 7 7 ILE HG12 H 1.5974 0.05 2 49 7 7 ILE HG13 H 1.3195 0.05 2 50 7 7 ILE HG2 H 1.0319 0.05 1 51 7 7 ILE HD1 H 0.9942 0.05 1 52 7 7 ILE C C 176.1334 0.3 1 53 7 7 ILE CA C 60.9846 0.3 1 54 7 7 ILE CB C 38.8898 0.3 1 55 7 7 ILE CG1 C 27.4666 0.3 1 56 7 7 ILE CG2 C 17.7510 0.3 1 57 7 7 ILE CD1 C 13.6814 0.3 1 58 7 7 ILE N N 124.6278 0.2 1 59 8 8 GLU H H 8.5780 0.05 1 60 8 8 GLU HA H 4.4234 0.05 1 61 8 8 GLU HB2 H 2.1327 0.05 2 62 8 8 GLU HB3 H 2.0279 0.05 2 63 8 8 GLU HG2 H 2.3628 0.05 2 64 8 8 GLU HG3 H 2.3600 0.05 2 65 8 8 GLU C C 175.8409 0.3 1 66 8 8 GLU CA C 56.3548 0.3 1 67 8 8 GLU CB C 30.8974 0.3 1 68 8 8 GLU CG C 36.5984 0.3 1 69 8 8 GLU N N 127.7215 0.2 1 70 9 9 ASP H H 8.6144 0.05 1 71 9 9 ASP HA H 5.0073 0.05 1 72 9 9 ASP HB2 H 2.9204 0.05 2 73 9 9 ASP HB3 H 2.6602 0.05 2 74 9 9 ASP C C 174.4445 0.3 1 75 9 9 ASP CA C 52.3435 0.3 1 76 9 9 ASP CB C 41.6260 0.3 1 77 9 9 ASP N N 126.1389 0.2 1 78 10 10 PRO HA H 4.5455 0.05 1 79 10 10 PRO HB3 H 2.0997 0.05 2 80 10 10 PRO HG2 H 2.2204 0.05 2 81 10 10 PRO HG3 H 2.0283 0.05 2 82 10 10 PRO HD2 H 4.0028 0.05 2 83 10 10 PRO HD3 H 3.9444 0.05 2 84 10 10 PRO C C 177.4782 0.3 1 85 10 10 PRO CA C 63.7275 0.3 1 86 10 10 PRO CB C 32.3348 0.3 1 87 10 10 PRO CG C 27.8093 0.3 1 88 10 10 PRO CD C 51.0706 0.3 1 89 11 11 LEU H H 8.5266 0.05 1 90 11 11 LEU HA H 4.4075 0.05 1 91 11 11 LEU HB2 H 1.8534 0.05 2 92 11 11 LEU HB3 H 1.7022 0.05 2 93 11 11 LEU HG H 1.7177 0.05 1 94 11 11 LEU HD1 H 1.0739 0.05 2 95 11 11 LEU HD2 H 1.0077 0.05 2 96 11 11 LEU C C 177.6286 0.3 1 97 11 11 LEU CA C 55.6949 0.3 1 98 11 11 LEU CB C 42.0892 0.3 1 99 11 11 LEU CG C 27.2423 0.3 1 100 11 11 LEU CD1 C 25.1613 0.3 2 101 11 11 LEU CD2 C 23.7127 0.3 2 102 11 11 LEU N N 122.7157 0.2 1 103 12 12 ASP H H 8.2339 0.05 1 104 12 12 ASP HA H 4.7375 0.05 1 105 12 12 ASP HB2 H 2.8206 0.05 2 106 12 12 ASP HB3 H 2.7607 0.05 2 107 12 12 ASP C C 175.7807 0.3 1 108 12 12 ASP CA C 54.4163 0.3 1 109 12 12 ASP CB C 37.7757 0.3 1 110 12 12 ASP N N 122.2873 0.2 1 111 13 13 LYS H H 8.0469 0.05 1 112 13 13 LYS HA H 4.7252 0.05 1 113 13 13 LYS HB2 H 1.9371 0.05 2 114 13 13 LYS HB3 H 1.8541 0.05 2 115 13 13 LYS HG2 H 1.6126 0.05 2 116 13 13 LYS HG3 H 1.5603 0.05 2 117 13 13 LYS HD2 H 1.7155 0.05 2 118 13 13 LYS HE2 H 3.2100 0.05 2 119 13 13 LYS HE3 H 3.1370 0.05 2 120 13 13 LYS CA C 54.4378 0.3 1 121 13 13 LYS CB C 32.9693 0.3 1 122 13 13 LYS CG C 24.7081 0.3 1 123 13 13 LYS CD C 27.2847 0.3 1 124 13 13 LYS CE C 42.4040 0.3 1 125 13 13 LYS N N 124.0704 0.2 1 126 14 14 PRO HA H 4.5859 0.05 1 127 14 14 PRO HB2 H 2.4389 0.05 2 128 14 14 PRO HB3 H 1.9883 0.05 2 129 14 14 PRO HG2 H 2.3279 0.05 2 130 14 14 PRO HG3 H 2.1219 0.05 2 131 14 14 PRO HD2 H 3.9203 0.05 2 132 14 14 PRO HD3 H 3.7425 0.05 2 133 14 14 PRO C C 177.1068 0.3 1 134 14 14 PRO CA C 63.2345 0.3 1 135 14 14 PRO CB C 32.2363 0.3 1 136 14 14 PRO CG C 29.6256 0.3 1 137 14 14 PRO CD C 50.7932 0.3 1 138 15 15 ILE H H 8.3868 0.05 1 139 15 15 ILE HA H 4.1822 0.05 1 140 15 15 ILE HB H 1.8982 0.05 1 141 15 15 ILE HG12 H 1.6485 0.05 2 142 15 15 ILE HG13 H 1.3163 0.05 2 143 15 15 ILE HG2 H 0.8636 0.05 1 144 15 15 ILE HD1 H 0.9948 0.05 1 145 15 15 ILE C C 176.1741 0.3 1 146 15 15 ILE CA C 61.5764 0.3 1 147 15 15 ILE CB C 38.9625 0.3 1 148 15 15 ILE CG1 C 27.5669 0.3 1 149 15 15 ILE CG2 C 17.7601 0.3 1 150 15 15 ILE CD1 C 13.0814 0.3 1 151 15 15 ILE N N 124.0899 0.2 1 152 16 16 GLN H H 8.4274 0.05 1 153 16 16 GLN HA H 4.5629 0.05 1 154 16 16 GLN HB2 H 2.1808 0.05 2 155 16 16 GLN HB3 H 2.0480 0.05 2 156 16 16 GLN HG2 H 2.4942 0.05 2 157 16 16 GLN C C 174.9625 0.3 1 158 16 16 GLN CA C 55.5808 0.3 1 159 16 16 GLN CB C 30.7261 0.3 1 160 16 16 GLN CG C 34.1627 0.3 1 161 16 16 GLN N N 125.9630 0.2 1 162 17 17 TYR H H 8.3665 0.05 1 163 17 17 TYR HA H 5.1749 0.05 1 164 17 17 TYR HB3 H 2.8798 0.05 2 165 17 17 TYR C C 175.5918 0.3 1 166 17 17 TYR CA C 57.1696 0.3 1 167 17 17 TYR CB C 39.0269 0.3 1 168 17 17 TYR N N 122.4422 0.2 1 169 18 18 ARG H H 9.2220 0.05 1 170 18 18 ARG HA H 4.7377 0.05 1 171 18 18 ARG HB2 H 1.8929 0.05 2 172 18 18 ARG HB3 H 1.8307 0.05 2 173 18 18 ARG HD2 H 3.3663 0.05 2 174 18 18 ARG HD3 H 3.3253 0.05 2 175 18 18 ARG C C 174.9355 0.3 1 176 18 18 ARG CA C 55.2070 0.3 1 177 18 18 ARG CB C 33.5481 0.3 1 178 18 18 ARG CD C 43.5539 0.3 1 179 18 18 ARG N N 123.3799 0.2 1 180 19 19 VAL H H 8.6441 0.05 1 181 19 19 VAL HA H 4.3060 0.05 1 182 19 19 VAL HB H 1.9371 0.05 1 183 19 19 VAL HG1 H 0.9680 0.05 2 184 19 19 VAL HG2 H 0.8086 0.05 2 185 19 19 VAL C C 176.3544 0.3 1 186 19 19 VAL CA C 62.0346 0.3 1 187 19 19 VAL CB C 32.9713 0.3 1 188 19 19 VAL CG1 C 21.5571 0.3 2 189 19 19 VAL CG2 C 21.2372 0.3 2 190 19 19 VAL N N 124.7344 0.2 1 191 20 20 CYS H H 8.7411 0.05 1 192 20 20 CYS HA H 4.3160 0.05 1 193 20 20 CYS HB2 H 3.3968 0.05 2 194 20 20 CYS HB3 H 2.7213 0.05 2 195 20 20 CYS C C 177.8630 0.3 1 196 20 20 CYS CA C 60.5546 0.3 1 197 20 20 CYS CB C 30.6448 0.3 1 198 20 20 CYS N N 132.1485 0.2 1 199 21 21 GLU H H 9.5114 0.05 1 200 21 21 GLU HA H 4.2646 0.05 1 201 21 21 GLU HB2 H 2.2987 0.05 2 202 21 21 GLU HB3 H 2.2314 0.05 2 203 21 21 GLU HG2 H 2.5384 0.05 2 204 21 21 GLU HG3 H 2.5217 0.05 2 205 21 21 GLU C C 176.7349 0.3 1 206 21 21 GLU CA C 59.0150 0.3 1 207 21 21 GLU CB C 29.7577 0.3 1 208 21 21 GLU CG C 36.6441 0.3 1 209 21 21 GLU N N 133.4212 0.2 1 210 22 22 LYS H H 9.4324 0.05 1 211 22 22 LYS HA H 4.5442 0.05 1 212 22 22 LYS HB2 H 2.1433 0.05 2 213 22 22 LYS HB3 H 1.8374 0.05 2 214 22 22 LYS HG2 H 1.6255 0.05 2 215 22 22 LYS HG3 H 1.5467 0.05 2 216 22 22 LYS HD2 H 1.8748 0.05 2 217 22 22 LYS HE2 H 3.1875 0.05 2 218 22 22 LYS HE3 H 3.1237 0.05 2 219 22 22 LYS C C 177.6842 0.3 1 220 22 22 LYS CA C 58.0193 0.3 1 221 22 22 LYS CB C 33.8424 0.3 1 222 22 22 LYS CG C 26.0575 0.3 1 223 22 22 LYS CD C 29.4636 0.3 1 224 22 22 LYS CE C 42.4299 0.3 1 225 22 22 LYS N N 123.4120 0.2 1 226 23 23 CYS H H 8.2991 0.05 1 227 23 23 CYS HA H 5.1485 0.05 1 228 23 23 CYS HB2 H 3.4775 0.05 2 229 23 23 CYS HB3 H 3.0021 0.05 2 230 23 23 CYS C C 177.1198 0.3 1 231 23 23 CYS CA C 58.7026 0.3 1 232 23 23 CYS CB C 33.2011 0.3 1 233 23 23 CYS N N 118.3548 0.2 1 234 24 24 GLY H H 8.1869 0.05 1 235 24 24 GLY HA2 H 4.2797 0.05 2 236 24 24 GLY HA3 H 3.8841 0.05 2 237 24 24 GLY C C 173.7688 0.3 1 238 24 24 GLY CA C 46.4990 0.3 1 239 24 24 GLY N N 115.0114 0.2 1 240 25 25 LYS H H 8.3543 0.05 1 241 25 25 LYS HA H 4.7411 0.05 1 242 25 25 LYS HB2 H 1.9552 0.05 2 243 25 25 LYS HG2 H 1.7775 0.05 2 244 25 25 LYS HD3 H 1.7814 0.05 2 245 25 25 LYS HE2 H 3.2178 0.05 2 246 25 25 LYS HE3 H 3.1537 0.05 2 247 25 25 LYS C C 174.6087 0.3 1 248 25 25 LYS CA C 56.2809 0.3 1 249 25 25 LYS CB C 33.2941 0.3 1 250 25 25 LYS CG C 25.7150 0.3 1 251 25 25 LYS CD C 27.3271 0.3 1 252 25 25 LYS CE C 42.5746 0.3 1 253 25 25 LYS N N 125.2618 0.2 1 254 26 26 PRO HA H 4.8050 0.05 1 255 26 26 PRO HB2 H 2.0836 0.05 2 256 26 26 PRO HB3 H 1.7531 0.05 2 257 26 26 PRO HG3 H 1.7503 0.05 2 258 26 26 PRO HD2 H 3.9179 0.05 2 259 26 26 PRO HD3 H 3.7488 0.05 2 260 26 26 PRO C C 176.6385 0.3 1 261 26 26 PRO CA C 62.5147 0.3 1 262 26 26 PRO CB C 31.7049 0.3 1 263 26 26 PRO CD C 50.8750 0.3 1 264 27 27 LEU H H 8.9738 0.05 1 265 27 27 LEU HA H 4.7107 0.05 1 266 27 27 LEU HB2 H 1.6876 0.05 2 267 27 27 LEU HB3 H 1.4575 0.05 2 268 27 27 LEU HG H 1.5725 0.05 1 269 27 27 LEU HD1 H 0.6475 0.05 2 270 27 27 LEU HD2 H 0.4080 0.05 2 271 27 27 LEU C C 175.9244 0.3 1 272 27 27 LEU CA C 53.1926 0.3 1 273 27 27 LEU CB C 45.2165 0.3 1 274 27 27 LEU CG C 26.8113 0.3 1 275 27 27 LEU CD1 C 25.9593 0.3 2 276 27 27 LEU CD2 C 23.5397 0.3 2 277 27 27 LEU N N 127.3321 0.2 1 278 28 28 ALA H H 8.6719 0.05 1 279 28 28 ALA HA H 4.5675 0.05 1 280 28 28 ALA HB H 1.4709 0.05 1 281 28 28 ALA C C 179.6663 0.3 1 282 28 28 ALA CA C 52.2054 0.3 1 283 28 28 ALA CB C 18.8522 0.3 1 284 28 28 ALA N N 126.4966 0.2 1 285 29 29 LEU H H 8.5256 0.05 1 286 29 29 LEU HA H 4.1152 0.05 1 287 29 29 LEU HB2 H 1.8359 0.05 2 288 29 29 LEU HB3 H 1.7877 0.05 2 289 29 29 LEU HG H 1.7934 0.05 1 290 29 29 LEU HD1 H 1.0356 0.05 2 291 29 29 LEU HD2 H 0.9686 0.05 2 292 29 29 LEU C C 179.3318 0.3 1 293 29 29 LEU CA C 58.1176 0.3 1 294 29 29 LEU CB C 41.7107 0.3 1 295 29 29 LEU CG C 27.0971 0.3 1 296 29 29 LEU CD1 C 25.0030 0.3 2 297 29 29 LEU CD2 C 23.7456 0.3 2 298 29 29 LEU N N 123.8946 0.2 1 299 30 30 THR H H 7.6564 0.05 1 300 30 30 THR HA H 4.3418 0.05 1 301 30 30 THR HB H 4.5982 0.05 1 302 30 30 THR HG2 H 1.4259 0.05 1 303 30 30 THR C C 174.9897 0.3 1 304 30 30 THR CA C 62.6290 0.3 1 305 30 30 THR CB C 69.1413 0.3 1 306 30 30 THR CG2 C 22.3157 0.3 1 307 30 30 THR N N 107.5869 0.2 1 308 31 31 ALA H H 8.1438 0.05 1 309 31 31 ALA HA H 4.4060 0.05 1 310 31 31 ALA HB H 1.7054 0.05 1 311 31 31 ALA C C 178.6202 0.3 1 312 31 31 ALA CA C 52.1915 0.3 1 313 31 31 ALA CB C 21.2999 0.3 1 314 31 31 ALA N N 126.3193 0.2 1 315 32 32 ILE H H 7.5262 0.05 1 316 32 32 ILE HA H 3.9988 0.05 1 317 32 32 ILE HB H 1.9915 0.05 1 318 32 32 ILE HG12 H 1.8294 0.05 2 319 32 32 ILE HG13 H 1.3896 0.05 2 320 32 32 ILE HG2 H 1.1844 0.05 1 321 32 32 ILE HD1 H 1.0785 0.05 1 322 32 32 ILE C C 176.4774 0.3 1 323 32 32 ILE CA C 65.1268 0.3 1 324 32 32 ILE CB C 36.3727 0.3 1 325 32 32 ILE CG1 C 29.2821 0.3 1 326 32 32 ILE CG2 C 17.7470 0.3 1 327 32 32 ILE CD1 C 14.0149 0.3 1 328 32 32 ILE N N 122.3316 0.2 1 329 33 33 VAL H H 8.2947 0.05 1 330 33 33 VAL HA H 3.8498 0.05 1 331 33 33 VAL HB H 2.1764 0.05 1 332 33 33 VAL HG1 H 1.2114 0.05 2 333 33 33 VAL HG2 H 1.0880 0.05 2 334 33 33 VAL C C 178.3657 0.3 1 335 33 33 VAL CA C 67.4178 0.3 1 336 33 33 VAL CB C 31.2871 0.3 1 337 33 33 VAL CG1 C 23.0117 0.3 2 338 33 33 VAL CG2 C 21.1713 0.3 2 339 33 33 VAL N N 123.6282 0.2 1 340 34 34 ASP H H 8.4140 0.05 1 341 34 34 ASP HA H 4.5583 0.05 1 342 34 34 ASP HB2 H 2.9458 0.05 2 343 34 34 ASP HB3 H 2.7623 0.05 2 344 34 34 ASP CA C 57.2874 0.3 1 345 34 34 ASP CB C 42.3361 0.3 1 346 34 34 ASP N N 121.3744 0.2 1 347 35 35 HIS H H 8.3976 0.05 1 348 35 35 HIS HA H 4.3094 0.05 1 349 35 35 HIS HB2 H 3.7477 0.05 2 350 35 35 HIS HB3 H 3.4044 0.05 2 351 35 35 HIS HD1 H 7.1472 0.05 1 352 35 35 HIS HE1 H 8.0013 0.05 1 353 35 35 HIS C C 177.2967 0.3 1 354 35 35 HIS CA C 60.5845 0.3 1 355 35 35 HIS CB C 28.9108 0.3 1 356 35 35 HIS N N 119.9599 0.2 1 357 35 35 HIS ND1 N 218.4424 0.2 1 358 35 35 HIS NE2 N 172.4578 0.2 1 359 36 36 LEU H H 8.7431 0.05 1 360 36 36 LEU HA H 4.1152 0.05 1 361 36 36 LEU HB2 H 2.1414 0.05 2 362 36 36 LEU HB3 H 1.7108 0.05 2 363 36 36 LEU HG H 1.7814 0.05 1 364 36 36 LEU HD1 H 1.1427 0.05 2 365 36 36 LEU HD2 H 1.2437 0.05 2 366 36 36 LEU C C 179.8979 0.3 1 367 36 36 LEU CA C 58.1176 0.3 1 368 36 36 LEU CB C 42.4565 0.3 1 369 36 36 LEU CG C 27.3271 0.3 1 370 36 36 LEU CD1 C 26.0922 0.3 2 371 36 36 LEU CD2 C 24.2041 0.3 2 372 36 36 LEU N N 121.8214 0.2 1 373 37 37 GLU H H 8.4260 0.05 1 374 37 37 GLU HA H 4.1904 0.05 1 375 37 37 GLU HB2 H 2.1618 0.05 2 376 37 37 GLU HB3 H 2.0770 0.05 2 377 37 37 GLU HG2 H 2.5248 0.05 2 378 37 37 GLU HG3 H 2.3393 0.05 2 379 37 37 GLU CA C 59.0978 0.3 1 380 37 37 GLU CB C 30.6067 0.3 1 381 37 37 GLU CG C 36.6345 0.3 1 382 37 37 GLU N N 119.7790 0.2 1 383 38 38 ASN H H 7.8582 0.05 1 384 38 38 ASN HB3 H 2.4086 0.05 2 385 38 38 ASN HD21 H 7.7901 0.05 2 386 38 38 ASN HD22 H 7.2324 0.05 2 387 38 38 ASN C C 176.8308 0.3 1 388 38 38 ASN CA C 54.0687 0.3 1 389 38 38 ASN CB C 41.3740 0.3 1 390 38 38 ASN N N 113.8674 0.2 1 391 38 38 ASN ND2 N 118.7732 0.2 1 392 39 39 HIS H H 8.0939 0.05 1 393 39 39 HIS HA H 4.9795 0.05 1 394 39 39 HIS HB2 H 3.5094 0.05 2 395 39 39 HIS HB3 H 3.0118 0.05 2 396 39 39 HIS HD2 H 7.1684 0.05 1 397 39 39 HIS HE1 H 8.1905 0.05 1 398 39 39 HIS C C 174.1976 0.3 1 399 39 39 HIS CA C 56.2962 0.3 1 400 39 39 HIS CB C 32.3667 0.3 1 401 39 39 HIS N N 118.3938 0.2 1 402 39 39 HIS ND1 N 194.4283 0.2 1 403 39 39 HIS NE2 N 175.0535 0.2 1 404 40 40 CYS H H 8.0116 0.05 1 405 40 40 CYS HA H 3.8537 0.05 1 406 40 40 CYS HB2 H 2.8579 0.05 2 407 40 40 CYS C C 176.0377 0.3 1 408 40 40 CYS CA C 61.5304 0.3 1 409 40 40 CYS CB C 29.5522 0.3 1 410 40 40 CYS N N 124.4024 0.2 1 411 41 41 ALA H H 8.8249 0.05 1 412 41 41 ALA HA H 4.5209 0.05 1 413 41 41 ALA HB H 1.6009 0.05 1 414 41 41 ALA C C 178.3633 0.3 1 415 41 41 ALA CA C 53.0102 0.3 1 416 41 41 ALA CB C 19.5139 0.3 1 417 41 41 ALA N N 132.2163 0.2 1 418 42 42 GLY H H 8.8793 0.05 1 419 42 42 GLY HA2 H 4.0320 0.05 2 420 42 42 GLY HA3 H 3.9922 0.05 2 421 42 42 GLY C C 173.2343 0.3 1 422 42 42 GLY CA C 45.0716 0.3 1 423 42 42 GLY N N 111.3881 0.2 1 424 43 43 ALA H H 8.1999 0.05 1 425 43 43 ALA HA H 4.5675 0.05 1 426 43 43 ALA HB H 1.5663 0.05 1 427 43 43 ALA C C 177.1649 0.3 1 428 43 43 ALA CA C 52.6254 0.3 1 429 43 43 ALA CB C 19.9636 0.3 1 430 43 43 ALA N N 125.7891 0.2 1 431 44 44 SER H H 8.1312 0.05 1 432 44 44 SER HA H 4.4194 0.05 1 433 44 44 SER HB3 H 3.9882 0.05 2 434 44 44 SER C C 178.9531 0.3 1 435 44 44 SER CA C 60.2508 0.3 1 436 44 44 SER CB C 64.1255 0.3 1 437 44 44 SER N N 123.2298 0.2 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_3 stop_ _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 600.13 _T1_coherence_type Sz _T1_value_units ms _Mol_system_component_name SGF73 _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 6 LEU N 494.1 44.1 2 7 ILE N 587.2 68.5 3 8 GLU N 513.0 51.2 4 9 ASP N 501.1 66.9 5 11 LEU N 524.9 37.0 6 12 ASP N 457.7 29.4 7 13 LYS N 552.2 32.1 8 15 ILE N 523.5 21.1 9 16 GLN N 363.0 42.3 10 17 TYR N 473.0 76.5 11 18 ARG N 389.8 23.7 12 19 VAL N 444.8 6.78 13 20 CYS N 413.2 5.92 14 21 GLU N 341.5 43.5 15 22 LYS N 425.1 7.43 16 23 CYS N 440.5 2.8 17 24 GLY N 409.2 3.04 18 25 LYS N 391.4 27.6 19 27 LEU N 441.0 8.43 20 28 ALA N 392.6 20.9 21 29 LEU N 343.1 33.8 22 30 THR N 275.0 48.6 23 32 ILE N 395.5 14.3 24 33 VAL N 416.1 9.6 25 35 HIS N 368.5 20.3 26 36 LEU N 363.6 23.6 27 37 GLU N 393.8 19.7 28 38 ASN N 353.2 49.2 29 39 HIS N 294.3 47.5 30 40 CYS N 389.2 36.2 31 41 ALA N 315.3 65.1 32 42 GLY N 363.9 86.0 33 43 ALA N 438.7 128 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_3 stop_ _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 600.13 _T2_coherence_type S(+,-) _T2_value_units ms _Mol_system_component_name SGF73 _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 6 LEU N 227.6 13.6 . . 2 7 ILE N 302.1 17.4 . . 3 8 GLU N 322.4 21.6 . . 4 9 ASP N 201.7 13.8 . . 5 11 LEU N 286.5 10.4 . . 6 12 ASP N 247.5 11.3 . . 7 13 LYS N 240.2 13.8 . . 8 15 ILE N 234.8 10.6 . . 9 16 GLN N 159.8 9.51 . . 10 17 TYR N 231.1 13.0 . . 11 18 ARG N 177.3 7.24 . . 12 19 VAL N 183.7 5.54 . . 13 20 CYS N 180.7 4.31 . . 14 21 GLU N 189.7 18.2 . . 15 22 LYS N 199.5 4.78 . . 16 23 CYS N 234.9 8.65 . . 17 24 GLY N 214.6 7.58 . . 18 25 LYS N 179.4 4.49 . . 19 27 LEU N 270.4 11.2 . . 20 28 ALA N 194.3 6.63 . . 21 29 LEU N 141.3 10.5 . . 22 30 THR N 106.9 7.88 . . 23 32 ILE N 157.7 7.55 . . 24 33 VAL N 156.2 5.88 . . 25 35 HIS N 144.8 7.84 . . 26 36 LEU N 131.2 4.13 . . 27 37 GLU N 117.3 5.46 . . 28 38 ASN N 128.5 2.38 . . 29 39 HIS N 141.3 8.2 . . 30 40 CYS N 43.37 3.24 . . 31 41 ALA N 68.11 2.64 . . 32 42 GLY N 149.5 11.0 . . 33 43 ALA N 197.5 18.0 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '2D 1H-15N heteronuclear NOE' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_2 _Spectrometer_frequency_1H 600.13 _Mol_system_component_name SGF73 _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 1 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 6 LEU -0.42 . 7 ILE -0.33 . 8 GLU -0.28 . 9 ASP -1.22 . 11 LEU -0.06 . 12 ASP 0.05 . 13 LYS 0.04 . 15 ILE 0.25 . 16 GLN 0.32 . 17 TYR -0.06 . 18 ARG 0.56 . 19 VAL 0.59 . 20 CYS 0.56 . 21 GLU 0.55 . 22 LYS 0.60 . 23 CYS 0.66 . 24 GLY 0.57 . 25 LYS 0.51 . 27 LEU 0.59 . 28 ALA 0.64 . 29 LEU 0.52 . 30 THR 0.65 . 32 ILE 0.54 . 33 VAL 0.71 . 35 HIS 0.55 . 36 LEU 0.63 . 37 GLU 0.60 . 38 ASN 0.57 . 39 HIS 0.53 . 40 CYS 0.52 . 41 ALA 0.39 . 42 GLY 0.22 . 43 ALA -0.13 . stop_ save_