data_4337 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and Sequence-Specific Assignment of Three Forms of the Lipoate-Containing H-protein of the Glycine Decarboxylase Complex. ; _BMRB_accession_number 4337 _BMRB_flat_file_name bmr4337.str _Entry_type original _Submission_date 1999-04-23 _Accession_date 1999-04-26 _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 Guilhaudis Laure . . 2 Simorre Jean-Pierre . . 3 Bouchayer Eftychia . . 4 Neuburger Michel . . 5 Bourguignon Jacques . . 6 Douce Roland . . 7 Marion Dominique . . 8 Gans Pierre . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 119 "15N chemical shifts" 119 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1999-05-10 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 4336 . 4338 . stop_ _Original_release_date 1999-05-10 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Guilhaudis, L., Simorre, J-P., Bouchayer, E., Marion, D., and Gans, P., "Backbone and Sequence-Specific Assignment of Three Forms of the Lipoate-Containing H-protein of the Glycine Decarboxylase Complex," J. Biomol. NMR, in preparation (1999). ; _Citation_title ; Backbone and Sequence-Specific Assignment of Three Forms of the Lipoate-Containing H-protein of the Glycine Decarboxylase Complex. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 10605092 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Guilhaudis Laure . . 2 Simorre Jean-Pierre . . 3 Bouchayer Eftychia . . 4 Neuburger Michel . . 5 Bourguignon Jacques . . 6 Douce Roland . . 7 Marion Dominique . . 8 Gans Pierre . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 15 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 185 _Page_last 186 _Year 1999 _Details . loop_ _Keyword 'Glycine decarboxylase complex' H-protein 'lipoate containing protein' NMR stop_ save_ ####################################### # Cited references within the entry # ####################################### save_ref_1 _Saveframe_category citation _Citation_full ; Wishart, D. S., Bigam, C. G., Yao, J., Abildgaard, F., Dyson, H. J., Oldfield, E., Markley, J. L., and Sykes, B. D. J. Biomol. NMR 6, 135-140 (1995). ; _Citation_title '1H, 13C and 15N chemical shift referencing in biomolecular NMR' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 8589602 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wishart D. S. . 2 Bigam C. G. . 3 Yao J. . . 4 Abildgaard F. . . 5 Dyson H. J. . 6 Oldfield E. . . 7 Markley J. L. . 8 Sykes B. D. . stop_ _Journal_abbreviation . _Journal_name_full . _Journal_volume 6 _Journal_issue 2 _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 135 _Page_last 140 _Year 1995 _Details . save_ save_ref_2 _Saveframe_category citation _Citation_full . _Citation_title . _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code 90110145 _PubMed_ID ? _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _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 . _Page_last . _Year . _Details . save_ save_ref_3 _Saveframe_category citation _Citation_full . _Citation_title . _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code 9030277 _PubMed_ID ? _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _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 . _Page_last . _Year . _Details . save_ save_ref_4 _Saveframe_category citation _Citation_full . _Citation_title . _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code 92412042 _PubMed_ID ? _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _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 . _Page_last . _Year . _Details . save_ save_ref_5 _Saveframe_category citation _Citation_full . _Citation_title . _Citation_status . _Citation_type . _CAS_abstract_code . _MEDLINE_UI_code 96184875 _PubMed_ID ? _Journal_abbreviation . _Journal_name_full . _Journal_volume . _Journal_issue . _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 . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_Hox _Saveframe_category molecular_system _Mol_system_name 'Oxidized form of the glycine cleavage system H-protein' _Abbreviation_common Hox _Enzyme_commission_number 1.4.4.2 loop_ _Mol_system_component_name _Mol_label 'Hox subunit 1' $H-protein_peptide lipoate $LPA stop_ _System_molecular_weight 14136 _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state . loop_ _Biological_function ; The Glycine Cleavage System catalyses the degradation of glycine The oxidised form of the H-protein is involved in the decarboxylation of glycine ; stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_H-protein_peptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'glycine cleavage system H-protein' _Abbreviation_common H-protein _Molecular_mass 13948 _Mol_thiol_state . _Details ; Sequence citation labels are ref_2, ref_3, and ref 4 listed below in section Cited references. ; ############################## # Polymer residue sequence # ############################## _Residue_count 131 _Mol_residue_sequence ; SNVLDGLKYAPSHEWVKHEG SVATIGITDHAQDHLGEVVF VELPEPGVSVTKGKGFGAVE SVKATSDVNSPISGEVIEVN TGLTGKPGLINSSPYEDGWM IKIKPTSPDELESLLGAKEY TKFCEEEDAAH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 10 SER 2 11 ASN 3 12 VAL 4 13 LEU 5 14 ASP 6 15 GLY 7 16 LEU 8 17 LYS 9 18 TYR 10 19 ALA 11 20 PRO 12 21 SER 13 22 HIS 14 23 GLU 15 24 TRP 16 25 VAL 17 26 LYS 18 27 HIS 19 28 GLU 20 29 GLY 21 30 SER 22 31 VAL 23 32 ALA 24 33 THR 25 34 ILE 26 35 GLY 27 36 ILE 28 37 THR 29 38 ASP 30 39 HIS 31 40 ALA 32 41 GLN 33 42 ASP 34 43 HIS 35 44 LEU 36 45 GLY 37 46 GLU 38 47 VAL 39 48 VAL 40 49 PHE 41 50 VAL 42 51 GLU 43 52 LEU 44 53 PRO 45 54 GLU 46 55 PRO 47 56 GLY 48 57 VAL 49 58 SER 50 59 VAL 51 60 THR 52 61 LYS 53 62 GLY 54 63 LYS 55 64 GLY 56 65 PHE 57 66 GLY 58 67 ALA 59 68 VAL 60 69 GLU 61 70 SER 62 71 VAL 63 72 LYS 64 73 ALA 65 74 THR 66 75 SER 67 76 ASP 68 77 VAL 69 78 ASN 70 79 SER 71 80 PRO 72 81 ILE 73 82 SER 74 83 GLY 75 84 GLU 76 85 VAL 77 86 ILE 78 87 GLU 79 88 VAL 80 89 ASN 81 90 THR 82 91 GLY 83 92 LEU 84 93 THR 85 94 GLY 86 95 LYS 87 96 PRO 88 97 GLY 89 98 LEU 90 99 ILE 91 100 ASN 92 101 SER 93 102 SER 94 103 PRO 95 104 TYR 96 105 GLU 97 106 ASP 98 107 GLY 99 108 TRP 100 109 MET 101 110 ILE 102 111 LYS 103 112 ILE 104 113 LYS 105 114 PRO 106 115 THR 107 116 SER 108 117 PRO 109 118 ASP 110 119 GLU 111 120 LEU 112 121 GLU 113 122 SER 114 123 LEU 115 124 LEU 116 125 GLY 117 126 ALA 118 127 LYS 119 128 GLU 120 129 TYR 121 130 THR 122 131 LYS 123 132 PHE 124 133 CYS 125 134 GLU 126 135 GLU 127 136 GLU 128 137 ASP 129 138 ALA 130 139 ALA 131 140 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 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 BMRB 4336 "Glycine Cleavage System H-protein" 100.00 131 100.00 100.00 1.86e-87 BMRB 4338 "Glycine Cleavage System apoprotein H" 100.00 131 100.00 100.00 1.86e-87 PDB 1DXM "Reduced Form Of The H Protein From Glycine Decarboxylase Complex" 100.00 131 100.00 100.00 1.86e-87 PDB 1HPC "Refined Structures At 2 Angstroms And 2.2 Angstroms Of The Two Forms Of The H-protein, A Lipoamide-containing Protein Of The Gl" 100.00 131 100.00 100.00 1.86e-87 PDB 1HTP "Refined Structures At 2 Angstroms And 2.2 Angstroms Of The Two Forms Of The H-Protein, A Lipoamide-Containing Protein Of The Gl" 100.00 131 100.00 100.00 1.86e-87 EMBL CAA37704 "H-protein [Pisum sativum]" 100.00 165 100.00 100.00 4.03e-88 EMBL CAA45978 "H protein [Pisum sativum]" 100.00 165 100.00 100.00 4.03e-88 EMBL CAI79404 "H-protein [Pisum fulvum]" 100.00 165 100.00 100.00 4.03e-88 EMBL CAJ13415 "H subunit of glycine decarboxylase multi-enzyme complex [Pisum fulvum]" 100.00 165 100.00 100.00 4.03e-88 EMBL CAJ13721 "H-protein of the glycine decarboxylase multi-enzyme complex [Pisum sativum var. pumilio]" 100.00 165 100.00 100.00 4.03e-88 GB AAA33668 "H-protein of glycine decarboxylase precursor (EC 2.1.2.10) [Pisum sativum]" 100.00 165 100.00 100.00 4.03e-88 PRF 1923203A "H protein" 100.00 131 99.24 99.24 1.30e-86 SP P16048 "RecName: Full=Glycine cleavage system H protein, mitochondrial; Flags: Precursor" 100.00 165 100.00 100.00 4.03e-88 stop_ save_ ############# # Ligands # ############# save_LPA _Saveframe_category ligand _Mol_type non-polymer _Name_common "LPA (LIPOIC ACID)" _BMRB_code . _PDB_code LPA _Molecular_mass 206.326 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jul 14 14:13:28 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons O1 O1 O . 0 . ? O2 O2 O . 0 . ? C1 C1 C . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C8 C8 C . 0 . ? S8 S8 S . 0 . ? S6 S6 S . 0 . ? HO2 HO2 H . 0 . ? H21 H21 H . 0 . ? H22 H22 H . 0 . ? H31 H31 H . 0 . ? H32 H32 H . 0 . ? H41 H41 H . 0 . ? H42 H42 H . 0 . ? H51 H51 H . 0 . ? H52 H52 H . 0 . ? H6 H6 H . 0 . ? H71 H71 H . 0 . ? H72 H72 H . 0 . ? H81 H81 H . 0 . ? H82 H82 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB O1 C1 ? ? SING O2 C1 ? ? SING O2 HO2 ? ? SING C1 C2 ? ? SING C2 C3 ? ? SING C2 H21 ? ? SING C2 H22 ? ? SING C3 C4 ? ? SING C3 H31 ? ? SING C3 H32 ? ? SING C4 C5 ? ? SING C4 H41 ? ? SING C4 H42 ? ? SING C5 C6 ? ? SING C5 H51 ? ? SING C5 H52 ? ? SING C6 C7 ? ? SING C6 S6 ? ? SING C6 H6 ? ? SING C7 C8 ? ? SING C7 H71 ? ? SING C7 H72 ? ? SING C8 S8 ? ? SING C8 H81 ? ? SING C8 H82 ? ? SING S8 S6 ? ? 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 _Organelle _Fraction $H-protein_peptide 'Garden Pea' 3888 Eukaryota Viridiplantae Pisum sativum leaf mitochondria matrix stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name _Details $H-protein_peptide 'recombinant technology' 'E. coli' Escherichia Coli . plasmid pET-H 'native (ref_5)' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $H-protein_peptide 1.3 mM '[U-99% 15N]' 'potassium phosphate' 50 mM . EDTA 0.1 mM . NaN3 0.2 % . D2O 10 % . H2O 90 % . stop_ save_ ############################ # Computer software used # ############################ save_software_one _Saveframe_category software _Name FELIX _Version '95.0, 97.0' _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY-HSQC' _Sample_label $sample_one save_ save_3D_1H-15N_TOCSY-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY-HSQC' _Sample_label $sample_one save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions _Details ; Reference for pH and temperature is ref_1, listed below in section: References cited for this entry. ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.5 0.1 na temperature 291 1 K 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 _Indirect_shift_ratio_citation_label H2O H 1 protons ppm 4.8483 internal direct . internal . . . DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 $ref_1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Hox 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 . 2 ASN H H 10.54 0.02 1 2 . 2 ASN N N 121.0 0.2 1 3 . 3 VAL H H 9.13 0.02 1 4 . 3 VAL N N 128.6 0.2 1 5 . 4 LEU H H 6.62 0.02 1 6 . 4 LEU N N 124.5 0.2 1 7 . 5 ASP H H 8.94 0.02 1 8 . 5 ASP N N 124.2 0.2 1 9 . 6 GLY H H 8.65 0.02 1 10 . 6 GLY N N 108.2 0.2 1 11 . 7 LEU H H 6.57 0.02 1 12 . 7 LEU N N 117.9 0.2 1 13 . 8 LYS H H 7.82 0.02 1 14 . 8 LYS N N 115.4 0.2 1 15 . 9 TYR H H 9.30 0.02 1 16 . 9 TYR N N 116.5 0.2 1 17 . 10 ALA H H 8.94 0.02 1 18 . 10 ALA N N 123.2 0.2 1 19 . 12 SER H H 6.75 0.02 1 20 . 12 SER N N 103.6 0.2 1 21 . 13 HIS H H 8.12 0.02 1 22 . 13 HIS N N 109.1 0.2 1 23 . 14 GLU H H 7.20 0.02 1 24 . 14 GLU N N 116.0 0.2 1 25 . 15 TRP H H 8.43 0.02 1 26 . 15 TRP N N 116.2 0.2 1 27 . 16 VAL H H 8.94 0.02 1 28 . 16 VAL N N 113.8 0.2 1 29 . 17 LYS H H 9.61 0.02 1 30 . 17 LYS N N 129.8 0.2 1 31 . 18 HIS H H 9.48 0.02 1 32 . 18 HIS N N 129.3 0.2 1 33 . 19 GLU H H 8.57 0.02 1 34 . 19 GLU N N 128.0 0.2 1 35 . 20 GLY H H 8.15 0.02 1 36 . 20 GLY N N 113.1 0.2 1 37 . 21 SER H H 8.62 0.02 1 38 . 21 SER N N 120.1 0.2 1 39 . 22 VAL H H 7.45 0.02 1 40 . 22 VAL N N 117.7 0.2 1 41 . 23 ALA H H 9.17 0.02 1 42 . 23 ALA N N 127.1 0.2 1 43 . 24 THR H H 8.78 0.02 1 44 . 24 THR N N 120.8 0.2 1 45 . 25 ILE H H 8.73 0.02 1 46 . 25 ILE N N 126.1 0.2 1 47 . 26 GLY H H 6.04 0.02 1 48 . 26 GLY N N 113.7 0.2 1 49 . 27 ILE H H 9.70 0.02 1 50 . 27 ILE N N 113.4 0.2 1 51 . 28 THR H H 8.06 0.02 1 52 . 28 THR N N 106.4 0.2 1 53 . 29 ASP H H 7.51 0.02 1 54 . 29 ASP N N 115.6 0.2 1 55 . 30 HIS H H 9.09 0.02 1 56 . 30 HIS N N 117.7 0.2 1 57 . 31 ALA H H 7.78 0.02 1 58 . 31 ALA N N 120.1 0.2 1 59 . 34 HIS H H 7.59 0.02 1 60 . 34 HIS N N 113.4 0.2 1 61 . 35 LEU H H 8.30 0.02 1 62 . 35 LEU N N 121.3 0.2 1 63 . 36 GLY H H 7.60 0.02 1 64 . 36 GLY N N 105.5 0.2 1 65 . 37 GLU H H 8.01 0.02 1 66 . 37 GLU N N 118.1 0.2 1 67 . 38 VAL H H 9.50 0.02 1 68 . 38 VAL N N 130.2 0.2 1 69 . 39 VAL H H 9.04 0.02 1 70 . 39 VAL N N 118.4 0.2 1 71 . 40 PHE H H 8.00 0.02 1 72 . 40 PHE N N 122.2 0.2 1 73 . 41 VAL H H 7.56 0.02 1 74 . 41 VAL N N 124.1 0.2 1 75 . 42 GLU H H 8.77 0.02 1 76 . 42 GLU N N 126.7 0.2 1 77 . 43 LEU H H 8.26 0.02 1 78 . 43 LEU N N 123.9 0.2 1 79 . 45 GLU H H 7.69 0.02 1 80 . 45 GLU N N 116.0 0.2 1 81 . 47 GLY H H 8.80 0.02 1 82 . 47 GLY N N 111.2 0.2 1 83 . 48 VAL H H 7.25 0.02 1 84 . 48 VAL N N 116.3 0.2 1 85 . 49 SER H H 8.55 0.02 1 86 . 49 SER N N 117.7 0.2 1 87 . 50 VAL H H 9.20 0.02 1 88 . 50 VAL N N 116.9 0.2 1 89 . 51 THR H H 9.16 0.02 1 90 . 51 THR N N 120.4 0.2 1 91 . 52 LYS H H 7.97 0.02 1 92 . 52 LYS N N 126.3 0.2 1 93 . 53 GLY H H 9.11 0.02 1 94 . 53 GLY N N 114.3 0.2 1 95 . 54 LYS H H 8.18 0.02 1 96 . 54 LYS N N 119.2 0.2 1 97 . 55 GLY H H 8.87 0.02 1 98 . 55 GLY N N 114.2 0.2 1 99 . 56 PHE H H 8.79 0.02 1 100 . 56 PHE N N 117.9 0.2 1 101 . 57 GLY H H 7.02 0.02 1 102 . 57 GLY N N 109.7 0.2 1 103 . 58 ALA H H 8.67 0.02 1 104 . 58 ALA N N 122.4 0.2 1 105 . 59 VAL H H 8.88 0.02 1 106 . 59 VAL N N 114.7 0.2 1 107 . 60 GLU H H 8.89 0.02 1 108 . 60 GLU N N 123.8 0.2 1 109 . 61 SER H H 9.70 0.02 1 110 . 61 SER N N 124.0 0.2 1 111 . 62 VAL H H 8.77 0.02 1 112 . 62 VAL N N 113.4 0.2 1 113 . 63 LYS H H 7.97 0.02 1 114 . 63 LYS N N 116.7 0.2 1 115 . 64 ALA H H 7.81 0.02 1 116 . 64 ALA N N 122.2 0.2 1 117 . 65 THR H H 8.25 0.02 1 118 . 65 THR N N 113.8 0.2 1 119 . 66 SER H H 8.99 0.02 1 120 . 66 SER N N 119.5 0.2 1 121 . 67 ASP H H 8.62 0.02 1 122 . 67 ASP N N 126.4 0.2 1 123 . 68 VAL H H 7.78 0.02 1 124 . 68 VAL N N 120.1 0.2 1 125 . 69 ASN H H 8.65 0.02 1 126 . 69 ASN N N 124.7 0.2 1 127 . 70 SER H H 8.43 0.02 1 128 . 70 SER N N 116.2 0.2 1 129 . 72 ILE H H 6.60 0.02 1 130 . 72 ILE N N 102.1 0.2 1 131 . 74 GLY H H 8.53 0.02 1 132 . 74 GLY N N 110.9 0.2 1 133 . 75 GLU H H 7.78 0.02 1 134 . 75 GLU N N 119.3 0.2 1 135 . 76 VAL H H 9.33 0.02 1 136 . 76 VAL N N 124.8 0.2 1 137 . 77 ILE H H 8.39 0.02 1 138 . 77 ILE N N 127.0 0.2 1 139 . 78 GLU H H 7.80 0.02 1 140 . 78 GLU N N 118.9 0.2 1 141 . 79 VAL H H 9.04 0.02 1 142 . 79 VAL N N 118.4 0.2 1 143 . 80 ASN H H 7.54 0.02 1 144 . 80 ASN N N 121.0 0.2 1 145 . 81 THR H H 7.96 0.02 1 146 . 81 THR N N 118.5 0.2 1 147 . 82 GLY H H 8.35 0.02 1 148 . 82 GLY N N 110.1 0.2 1 149 . 83 LEU H H 7.25 0.02 1 150 . 83 LEU N N 117.9 0.2 1 151 . 84 THR H H 7.38 0.02 1 152 . 84 THR N N 111.5 0.2 1 153 . 85 GLY H H 7.55 0.02 1 154 . 85 GLY N N 106.5 0.2 1 155 . 86 LYS H H 7.45 0.02 1 156 . 86 LYS N N 119.9 0.2 1 157 . 88 GLY H H 8.30 0.02 1 158 . 88 GLY N N 102.2 0.2 1 159 . 89 LEU H H 7.88 0.02 1 160 . 89 LEU N N 123.2 0.2 1 161 . 90 ILE H H 7.69 0.02 1 162 . 90 ILE N N 116.4 0.2 1 163 . 91 ASN H H 6.87 0.02 1 164 . 91 ASN N N 108.4 0.2 1 165 . 92 SER H H 8.08 0.02 1 166 . 92 SER N N 110.5 0.2 1 167 . 93 SER H H 8.15 0.02 1 168 . 93 SER N N 117.5 0.2 1 169 . 95 TYR H H 7.96 0.02 1 170 . 95 TYR N N 109.1 0.2 1 171 . 96 GLU H H 7.24 0.02 1 172 . 96 GLU N N 118.4 0.2 1 173 . 97 ASP H H 9.31 0.02 1 174 . 97 ASP N N 121.3 0.2 1 175 . 98 GLY H H 9.09 0.02 1 176 . 98 GLY N N 106.3 0.2 1 177 . 99 TRP H H 6.91 0.02 1 178 . 99 TRP N N 116.2 0.2 1 179 . 100 MET H H 8.94 0.02 1 180 . 100 MET N N 114.4 0.2 1 181 . 101 ILE H H 7.47 0.02 1 182 . 101 ILE N N 105.6 0.2 1 183 . 102 LYS H H 8.89 0.02 1 184 . 102 LYS N N 120.1 0.2 1 185 . 103 ILE H H 9.45 0.02 1 186 . 103 ILE N N 116.2 0.2 1 187 . 104 LYS H H 9.05 0.02 1 188 . 104 LYS N N 124.2 0.2 1 189 . 106 THR H H 7.83 0.02 1 190 . 106 THR N N 113.1 0.2 1 191 . 107 SER H H 9.21 0.02 1 192 . 107 SER N N 118.0 0.2 1 193 . 109 ASP H H 8.82 0.02 1 194 . 109 ASP N N 119.7 0.2 1 195 . 110 GLU H H 8.47 0.02 1 196 . 110 GLU N N 119.7 0.2 1 197 . 111 LEU H H 7.70 0.02 1 198 . 111 LEU N N 117.1 0.2 1 199 . 112 GLU H H 7.44 0.02 1 200 . 112 GLU N N 115.1 0.2 1 201 . 113 SER H H 7.46 0.02 1 202 . 113 SER N N 110.7 0.2 1 203 . 114 LEU H H 6.96 0.02 1 204 . 114 LEU N N 121.5 0.2 1 205 . 115 LEU H H 9.16 0.02 1 206 . 115 LEU N N 120.4 0.2 1 207 . 116 GLY H H 8.37 0.02 1 208 . 116 GLY N N 107.2 0.2 1 209 . 117 ALA H H 9.06 0.02 1 210 . 117 ALA N N 121.6 0.2 1 211 . 118 LYS H H 8.91 0.02 1 212 . 118 LYS N N 118.6 0.2 1 213 . 119 GLU H H 8.40 0.02 1 214 . 119 GLU N N 119.8 0.2 1 215 . 120 TYR H H 9.34 0.02 1 216 . 120 TYR N N 123.1 0.2 1 217 . 121 THR H H 8.50 0.02 1 218 . 121 THR N N 117.9 0.2 1 219 . 122 LYS H H 7.33 0.02 1 220 . 122 LYS N N 120.8 0.2 1 221 . 123 PHE H H 8.20 0.02 1 222 . 123 PHE N N 120.5 0.2 1 223 . 124 CYS H H 8.13 0.02 1 224 . 124 CYS N N 116.5 0.2 1 225 . 125 GLU H H 7.68 0.02 1 226 . 125 GLU N N 119.1 0.2 1 227 . 126 GLU H H 7.97 0.02 1 228 . 126 GLU N N 119.0 0.2 1 229 . 127 GLU H H 8.04 0.02 1 230 . 127 GLU N N 121.3 0.2 1 231 . 128 ASP H H 8.12 0.02 1 232 . 128 ASP N N 117.9 0.2 1 233 . 129 ALA H H 7.51 0.02 1 234 . 129 ALA N N 121.4 0.2 1 235 . 130 ALA H H 7.61 0.02 1 236 . 130 ALA N N 121.5 0.2 1 237 . 131 HIS H H 7.81 0.02 1 238 . 131 HIS N N 122.2 0.2 1 stop_ save_