data_2546 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Three-Dimensional Solution Structure of the E3-Binding Domain of the Dihydrolipoamide Succinyltransferase Core from the 2-Oxoglutarate Dehydrogenase Multienzyme Complex of Escherichia coli ; _BMRB_accession_number 2546 _BMRB_flat_file_name bmr2546.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-04-13 _Entry_origination BMRB _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 Robien Mark A. . 2 Clore G. Marius . 3 Omichinski James G. . 4 Perham Richard N. . 5 Appella Ettore . . 6 Sakaguchi Kazuyasu . . 7 Gronenborn Angela M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 279 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-17 revision BMRB 'Complete natural source information' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-04-13 revision BMRB 'Link to the Protein Data Bank added' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Robien, Mark A., Clore, G. Marius, Omichinski, James G., Perham, Richard N., Appella, Ettore, Sakaguchi, Kazuyasu, Gronenborn, Angela M., "Three-Dimensional Solution Structure of the E3-Binding Domain of the Dihydrolipoamide Succinyltransferase Core from the 2-Oxoglutarate Dehydrogenase Multienzyme Complex of Escherichia coli," Biochemistry 31 (13), 3463-3471 (1992). ; _Citation_title ; Three-Dimensional Solution Structure of the E3-Binding Domain of the Dihydrolipoamide Succinyltransferase Core from the 2-Oxoglutarate Dehydrogenase Multienzyme Complex of Escherichia coli ; _Citation_status published _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 Robien Mark A. . 2 Clore G. Marius . 3 Omichinski James G. . 4 Perham Richard N. . 5 Appella Ettore . . 6 Sakaguchi Kazuyasu . . 7 Gronenborn Angela M. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 31 _Journal_issue 13 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3463 _Page_last 3471 _Year 1992 _Details . save_ ################################## # Molecular system description # ################################## save_system_dihydrolipoamide_succinyltransferase _Saveframe_category molecular_system _Mol_system_name 'dihydrolipoamide succinyltransferase' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'dihydrolipoamide succinyltransferase' $dihydrolipoamide_succinyltransferase stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_dihydrolipoamide_succinyltransferase _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'dihydrolipoamide succinyltransferase' _Name_variant 'E3-binding domain' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 51 _Mol_residue_sequence ; YASLEEQNNDALSPAIRRLL AEHNLDASAIKGTGVGGRLT REDVEKHLAKA ; loop_ _Residue_seq_code _Residue_label 1 TYR 2 ALA 3 SER 4 LEU 5 GLU 6 GLU 7 GLN 8 ASN 9 ASN 10 ASP 11 ALA 12 LEU 13 SER 14 PRO 15 ALA 16 ILE 17 ARG 18 ARG 19 LEU 20 LEU 21 ALA 22 GLU 23 HIS 24 ASN 25 LEU 26 ASP 27 ALA 28 SER 29 ALA 30 ILE 31 LYS 32 GLY 33 THR 34 GLY 35 VAL 36 GLY 37 GLY 38 ARG 39 LEU 40 THR 41 ARG 42 GLU 43 ASP 44 VAL 45 GLU 46 LYS 47 HIS 48 LEU 49 ALA 50 LYS 51 ALA 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 2547 "dihydrolipoamide succinyltransferase" 100.00 51 100.00 100.00 8.61e-27 PDB 1BAL "Three-Dimensional Solution Structure Of The E3-Binding Domain Of The Dihydrolipoamide Succinyltransferase Core From The 2-Oxogl" 100.00 51 100.00 100.00 8.61e-27 PDB 1BBL "Three-Dimensional Solution Structure Of The E3-Binding Domain Of The Dihydrolipoamide Succinyltransferase Core From The 2-Oxogl" 100.00 51 100.00 100.00 8.61e-27 PDB 1W4H "Peripheral-Subunit From Mesophilic, Thermophilic And Hyperthermophilic Bacteria Fold By Ultrafast, Apparently Two-State Transit" 88.24 47 100.00 100.00 2.68e-22 PDB 2BTG "Peripheral-Subunit Binding Domains From Mesophilic, Thermophilic, And Hyperthermophilic Bacteria Fold By Ultrafast, Apparently " 88.24 47 97.78 97.78 2.99e-21 PDB 2BTH "Peripheral-Subunit Binding Domains From Mesophilic, Thermophilic, And Hyperthermophilic Bacteria Fold By Ultrafast, Apparently " 88.24 47 97.78 97.78 2.99e-21 PDB 2CYU "Nmr Structure Of A Downhill Folding Protein" 76.47 40 100.00 100.00 1.39e-17 PDB 2WXC "The Folding Mechanism Of Bbl: Plasticity Of Transition- State Structure Observed Within An Ultrafast Folding Protein Family" 88.24 47 97.78 97.78 2.99e-21 DBJ BAA35393 "dihydrolipoyltranssuccinase [Escherichia coli str. K12 substr. W3110]" 98.04 405 100.00 100.00 7.27e-24 DBJ BAB34175 "2-oxoglutarate dehydrogenase dihydrolipoyltranssuccinase E2 component [Escherichia coli O157:H7 str. Sakai]" 98.04 405 100.00 100.00 7.27e-24 DBJ BAG76310 "2-oxoglutarate dehydrogenase E2 component [Escherichia coli SE11]" 98.04 405 100.00 100.00 7.27e-24 DBJ BAI24112 "dihydrolipoyltranssuccinase [Escherichia coli O26:H11 str. 11368]" 98.04 405 100.00 100.00 7.27e-24 DBJ BAI29577 "dihydrolipoyltranssuccinase [Escherichia coli O103:H2 str. 12009]" 98.04 405 100.00 100.00 7.42e-24 EMBL CAA25284 "unnamed protein product [Escherichia coli]" 98.04 405 100.00 100.00 7.27e-24 EMBL CAD05199 "dihydrolipoamide succinyltransferase component (E2) [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 96.08 402 97.96 100.00 1.34e-22 EMBL CAP75202 "Dihydrolipoyllysine-residue succinyltransferase component [Escherichia coli LF82]" 98.04 405 100.00 100.00 6.92e-24 EMBL CAQ31192 "sucB, subunit of dihydrolipoyltranssuccinylase and 2-oxoglutarate dehydrogenase complex [Escherichia coli BL21(DE3)]" 98.04 405 100.00 100.00 7.27e-24 EMBL CAQ89885 "dihydrolipoyltranssuccinase [Escherichia fergusonii ATCC 35469]" 98.04 405 100.00 100.00 7.06e-24 GB AAA23898 "dihydrolipoamide succinyltransferase [Escherichia coli K-12]" 98.04 405 100.00 100.00 7.27e-24 GB AAC73821 "dihydrolipoyltranssuccinase [Escherichia coli str. K-12 substr. MG1655]" 98.04 405 100.00 100.00 7.27e-24 GB AAG55051 "2-oxoglutarate dehydrogenase (dihydrolipoyltranssuccinase E2 component) [Escherichia coli O157:H7 str. EDL933]" 98.04 405 100.00 100.00 7.27e-24 GB AAL19681 "2-oxoglutarate dehydrogenase (dihydrolipoyltranssuccinase E2 component) [Salmonella enterica subsp. enterica serovar Typhimuriu" 96.08 402 97.96 100.00 1.34e-22 GB AAN42214 "2-oxoglutarate dehydrogenase (dihydrolipoyltranssuccinase E2 component) [Shigella flexneri 2a str. 301]" 98.04 405 100.00 100.00 7.06e-24 PIR AE0591 "dihydrolipoamide succinyltransferase component (E2) [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18" 96.08 402 97.96 100.00 1.34e-22 REF NP_308779 "dihydrolipoamide succinyltransferase [Escherichia coli O157:H7 str. Sakai]" 98.04 405 100.00 100.00 7.27e-24 REF NP_415255 "dihydrolipoyltranssuccinase [Escherichia coli str. K-12 substr. MG1655]" 98.04 405 100.00 100.00 7.27e-24 REF NP_455293 "dihydrolipoamide succinyltransferase component (E2) [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 96.08 402 97.96 100.00 1.34e-22 REF NP_459722 "2-oxoglutarate dehydrogenase dihydrolipoyltranssuccinase subunit E2 [Salmonella enterica subsp. enterica serovar Typhimurium st" 96.08 402 97.96 100.00 1.34e-22 REF NP_706507 "dihydrolipoamide succinyltransferase [Shigella flexneri 2a str. 301]" 98.04 405 100.00 100.00 7.06e-24 SP P0AFG6 "RecName: Full=Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex; AltName: Full=" 98.04 405 100.00 100.00 7.27e-24 SP P0AFG7 "RecName: Full=Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex; AltName: Full=" 98.04 405 100.00 100.00 7.27e-24 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $dihydrolipoamide_succinyltransferase 'E. coli' 562 Eubacteria . Escherichia coli 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 $dihydrolipoamide_succinyltransferase 'not available' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.3 . na temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _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_citation_label _Correction_value_citation_label DSS H . . ppm 0 . . . . . $entry_citation $entry_citation 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_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name 'dihydrolipoamide succinyltransferase' _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 TYR HA H 4.2 . 1 2 . 1 TYR HB2 H 3.07 . 2 3 . 1 TYR HB3 H 3.16 . 2 4 . 1 TYR HD1 H 7.11 . 1 5 . 1 TYR HD2 H 7.11 . 1 6 . 1 TYR HE1 H 6.82 . 1 7 . 1 TYR HE2 H 6.82 . 1 8 . 2 ALA H H 8.56 . 1 9 . 2 ALA HA H 4.39 . 1 10 . 2 ALA HB H 1.36 . 1 11 . 3 SER H H 8.28 . 1 12 . 3 SER HA H 4.45 . 1 13 . 3 SER HB2 H 3.99 . 2 14 . 3 SER HB3 H 3.89 . 2 15 . 4 LEU H H 8.47 . 1 16 . 4 LEU HA H 4.27 . 1 17 . 4 LEU HB2 H 1.6 . 2 18 . 4 LEU HB3 H 1.64 . 2 19 . 4 LEU HG H 1.63 . 1 20 . 4 LEU HD1 H .87 . 2 21 . 4 LEU HD2 H .92 . 2 22 . 5 GLU H H 8.37 . 1 23 . 5 GLU HA H 4.19 . 1 24 . 5 GLU HB2 H 2.03 . 2 25 . 5 GLU HB3 H 1.96 . 2 26 . 5 GLU HG2 H 2.29 . 1 27 . 5 GLU HG3 H 2.29 . 1 28 . 6 GLU H H 8.15 . 1 29 . 6 GLU HA H 4.2 . 1 30 . 6 GLU HB2 H 2 . 2 31 . 6 GLU HB3 H 2.08 . 2 32 . 6 GLU HG2 H 2.29 . 1 33 . 6 GLU HG3 H 2.29 . 1 34 . 7 GLN H H 8.21 . 1 35 . 7 GLN HA H 4.14 . 1 36 . 7 GLN HB2 H 1.96 . 2 37 . 7 GLN HB3 H 2.09 . 2 38 . 7 GLN HG2 H 2.32 . 1 39 . 7 GLN HG3 H 2.32 . 1 40 . 7 GLN HE21 H 7.44 . 1 41 . 7 GLN HE22 H 6.82 . 1 42 . 8 ASN H H 8.37 . 1 43 . 8 ASN HA H 4.67 . 1 44 . 8 ASN HB2 H 2.84 . 2 45 . 8 ASN HB3 H 2.79 . 2 46 . 8 ASN HD21 H 7.59 . 1 47 . 8 ASN HD22 H 6.9 . 1 48 . 9 ASN H H 8.34 . 1 49 . 9 ASN HA H 4.68 . 1 50 . 9 ASN HB2 H 2.84 . 2 51 . 9 ASN HB3 H 2.78 . 2 52 . 9 ASN HD21 H 7.59 . 1 53 . 9 ASN HD22 H 6.9 . 1 54 . 10 ASP H H 8.19 . 1 55 . 10 ASP HA H 4.53 . 1 56 . 10 ASP HB2 H 2.68 . 2 57 . 10 ASP HB3 H 2.73 . 2 58 . 11 ALA H H 8.04 . 1 59 . 11 ALA HA H 4.24 . 1 60 . 11 ALA HB H 1.39 . 1 61 . 12 LEU H H 7.92 . 1 62 . 12 LEU HA H 4.45 . 1 63 . 12 LEU HB2 H 1.39 . 1 64 . 12 LEU HB3 H 1.69 . 1 65 . 12 LEU HG H 1.65 . 1 66 . 12 LEU HD1 H .87 . 1 67 . 12 LEU HD2 H .87 . 1 68 . 13 SER H H 8.06 . 1 69 . 13 SER HA H 4.71 . 1 70 . 13 SER HB2 H 4.28 . 2 71 . 13 SER HB3 H 4.01 . 2 72 . 14 PRO HA H 4.29 . 1 73 . 14 PRO HB2 H 2.42 . 1 74 . 14 PRO HB3 H 2.07 . 1 75 . 14 PRO HG2 H 2.21 . 1 76 . 14 PRO HG3 H 2.21 . 1 77 . 14 PRO HD2 H 3.91 . 2 78 . 14 PRO HD3 H 3.99 . 2 79 . 15 ALA H H 8.17 . 1 80 . 15 ALA HA H 4.11 . 1 81 . 15 ALA HB H 1.41 . 1 82 . 16 ILE H H 7.6 . 1 83 . 16 ILE HA H 3.79 . 1 84 . 16 ILE HB H 2.04 . 1 85 . 16 ILE HG12 H 1.61 . 2 86 . 16 ILE HG13 H 1.15 . 2 87 . 16 ILE HG2 H .9 . 1 88 . 16 ILE HD1 H .8 . 1 89 . 17 ARG H H 8.43 . 1 90 . 17 ARG HA H 3.89 . 1 91 . 17 ARG HB2 H 1.59 . 1 92 . 17 ARG HB3 H 1.87 . 1 93 . 17 ARG HG2 H 1.73 . 1 94 . 17 ARG HG3 H 1.73 . 1 95 . 17 ARG HD2 H 3.18 . 2 96 . 17 ARG HD3 H 3.27 . 2 97 . 17 ARG HE H 7.27 . 1 98 . 18 ARG H H 8.04 . 1 99 . 18 ARG HA H 4.14 . 1 100 . 18 ARG HB2 H 1.75 . 1 101 . 18 ARG HB3 H 1.91 . 1 102 . 18 ARG HG2 H 1.6 . 1 103 . 18 ARG HG3 H 1.6 . 1 104 . 18 ARG HD2 H 3.21 . 1 105 . 18 ARG HD3 H 3.21 . 1 106 . 18 ARG HE H 7.27 . 1 107 . 19 LEU H H 7.52 . 1 108 . 19 LEU HA H 4.25 . 1 109 . 19 LEU HB2 H 1.85 . 1 110 . 19 LEU HB3 H 1.71 . 1 111 . 19 LEU HG H 1.7 . 1 112 . 19 LEU HD1 H .99 . 1 113 . 19 LEU HD2 H .92 . 1 114 . 20 LEU H H 8.3 . 1 115 . 20 LEU HA H 3.96 . 1 116 . 20 LEU HB2 H 1.92 . 2 117 . 20 LEU HB3 H 1.75 . 2 118 . 20 LEU HG H 1.84 . 1 119 . 20 LEU HD1 H .9 . 1 120 . 20 LEU HD2 H .85 . 1 121 . 21 ALA H H 7.95 . 1 122 . 21 ALA HA H 4.25 . 1 123 . 21 ALA HB H 1.53 . 1 124 . 22 GLU H H 8.39 . 1 125 . 22 GLU HA H 4.01 . 1 126 . 22 GLU HB2 H 2.13 . 1 127 . 22 GLU HB3 H 1.9 . 1 128 . 22 GLU HG2 H 2.4 . 1 129 . 22 GLU HG3 H 2.4 . 1 130 . 23 HIS H H 7.46 . 1 131 . 23 HIS HA H 4.7 . 1 132 . 23 HIS HB2 H 3.57 . 1 133 . 23 HIS HB3 H 2.81 . 1 134 . 23 HIS HD2 H 7.61 . 1 135 . 23 HIS HE1 H 8.69 . 1 136 . 24 ASN H H 7.99 . 1 137 . 24 ASN HA H 4.44 . 1 138 . 24 ASN HB2 H 3.05 . 2 139 . 24 ASN HB3 H 2.74 . 2 140 . 24 ASN HD21 H 7.42 . 1 141 . 24 ASN HD22 H 6.82 . 1 142 . 25 LEU H H 8.16 . 1 143 . 25 LEU HA H 4.53 . 1 144 . 25 LEU HB2 H 1.31 . 1 145 . 25 LEU HB3 H 1.61 . 1 146 . 25 LEU HG H 1.63 . 1 147 . 25 LEU HD1 H .85 . 1 148 . 25 LEU HD2 H .9 . 1 149 . 26 ASP H H 8.22 . 1 150 . 26 ASP HA H 4.69 . 1 151 . 26 ASP HB2 H 2.61 . 2 152 . 26 ASP HB3 H 2.71 . 2 153 . 27 ALA H H 8.76 . 1 154 . 27 ALA HA H 3.83 . 1 155 . 27 ALA HB H 1.38 . 1 156 . 28 SER H H 8.33 . 1 157 . 28 SER HA H 4.22 . 1 158 . 28 SER HB2 H 3.95 . 2 159 . 28 SER HB3 H 3.9 . 2 160 . 29 ALA H H 7.71 . 1 161 . 29 ALA HA H 4.33 . 1 162 . 29 ALA HB H 1.43 . 1 163 . 30 ILE H H 7.37 . 1 164 . 30 ILE HA H 3.96 . 1 165 . 30 ILE HB H 1.68 . 1 166 . 30 ILE HG12 H 1.23 . 2 167 . 30 ILE HG13 H .57 . 2 168 . 30 ILE HG2 H .66 . 1 169 . 30 ILE HD1 H .45 . 1 170 . 31 LYS H H 8.33 . 1 171 . 31 LYS HA H 4.28 . 1 172 . 31 LYS HB2 H 1.78 . 1 173 . 31 LYS HB3 H 1.78 . 1 174 . 31 LYS HG2 H 1.45 . 1 175 . 31 LYS HG3 H 1.45 . 1 176 . 31 LYS HD2 H 1.72 . 1 177 . 31 LYS HD3 H 1.72 . 1 178 . 31 LYS HE2 H 2.98 . 1 179 . 31 LYS HE3 H 2.98 . 1 180 . 32 GLY H H 8.5 . 1 181 . 32 GLY HA2 H 3.63 . 1 182 . 32 GLY HA3 H 4.34 . 1 183 . 33 THR H H 9.67 . 1 184 . 33 THR HA H 4.52 . 1 185 . 33 THR HB H 4.46 . 1 186 . 33 THR HG2 H 1.16 . 1 187 . 34 GLY H H 8.68 . 1 188 . 34 GLY HA2 H 3.63 . 2 189 . 34 GLY HA3 H 4.2 . 2 190 . 35 VAL H H 8.39 . 1 191 . 35 VAL HA H 3.86 . 1 192 . 35 VAL HB H 1.96 . 1 193 . 35 VAL HG1 H .95 . 1 194 . 35 VAL HG2 H 1.05 . 1 195 . 36 GLY H H 9.1 . 1 196 . 36 GLY HA2 H 3.94 . 2 197 . 36 GLY HA3 H 3.86 . 2 198 . 37 GLY H H 8.17 . 1 199 . 37 GLY HA2 H 4.02 . 1 200 . 37 GLY HA3 H 3.53 . 1 201 . 38 ARG H H 6.94 . 1 202 . 38 ARG HA H 4.15 . 1 203 . 38 ARG HB2 H 1.75 . 1 204 . 38 ARG HB3 H 1.75 . 1 205 . 38 ARG HG2 H 1.7 . 1 206 . 38 ARG HG3 H 1.7 . 1 207 . 38 ARG HD2 H 3.21 . 1 208 . 38 ARG HD3 H 3.21 . 1 209 . 38 ARG HE H 7.19 . 1 210 . 39 LEU H H 8.3 . 1 211 . 39 LEU HA H 4.52 . 1 212 . 39 LEU HB2 H 1.65 . 2 213 . 39 LEU HB3 H 1.52 . 2 214 . 39 LEU HG H 1.68 . 1 215 . 39 LEU HD1 H .92 . 1 216 . 39 LEU HD2 H .87 . 1 217 . 40 THR H H 9.05 . 1 218 . 40 THR HA H 4.65 . 1 219 . 40 THR HB H 4.57 . 1 220 . 40 THR HG2 H 1.21 . 1 221 . 41 ARG H H 8.94 . 1 222 . 41 ARG HA H 3.77 . 1 223 . 41 ARG HB2 H 1.8 . 1 224 . 41 ARG HB3 H 1.8 . 1 225 . 41 ARG HG2 H 1.53 . 1 226 . 41 ARG HG3 H 1.53 . 1 227 . 41 ARG HD2 H 3.17 . 1 228 . 41 ARG HD3 H 3.17 . 1 229 . 41 ARG HE H 7.43 . 1 230 . 42 GLU H H 8.75 . 1 231 . 42 GLU HA H 4.02 . 1 232 . 42 GLU HB2 H 1.9 . 1 233 . 42 GLU HB3 H 2.04 . 1 234 . 42 GLU HG2 H 2.27 . 1 235 . 42 GLU HG3 H 2.27 . 1 236 . 43 ASP H H 7.87 . 1 237 . 43 ASP HA H 4.35 . 1 238 . 43 ASP HB2 H 2.65 . 1 239 . 43 ASP HB3 H 3.1 . 1 240 . 44 VAL H H 7.57 . 1 241 . 44 VAL HA H 3.55 . 1 242 . 44 VAL HB H 2.25 . 1 243 . 44 VAL HG1 H .81 . 1 244 . 44 VAL HG2 H 1.01 . 1 245 . 45 GLU H H 8.5 . 1 246 . 45 GLU HA H 3.87 . 1 247 . 45 GLU HB2 H 2.06 . 1 248 . 45 GLU HB3 H 2.06 . 1 249 . 45 GLU HG2 H 2.41 . 2 250 . 45 GLU HG3 H 2.23 . 2 251 . 46 LYS H H 8.29 . 1 252 . 46 LYS HA H 4.08 . 1 253 . 46 LYS HB2 H 1.87 . 1 254 . 46 LYS HB3 H 1.87 . 1 255 . 47 HIS H H 7.77 . 1 256 . 47 HIS HA H 4.35 . 1 257 . 47 HIS HB2 H 3.14 . 1 258 . 47 HIS HB3 H 3.36 . 1 259 . 47 HIS HD2 H 7 . 1 260 . 47 HIS HE1 H 8.4 . 1 261 . 48 LEU H H 7.86 . 1 262 . 48 LEU HA H 4.12 . 1 263 . 48 LEU HB2 H 1.42 . 1 264 . 48 LEU HB3 H 1.72 . 1 265 . 48 LEU HG H 1.67 . 1 266 . 48 LEU HD1 H .53 . 1 267 . 48 LEU HD2 H .63 . 1 268 . 49 ALA H H 7.68 . 1 269 . 49 ALA HA H 4.24 . 1 270 . 49 ALA HB H 1.4 . 1 271 . 50 LYS H H 7.8 . 1 272 . 50 LYS HA H 4.25 . 1 273 . 50 LYS HB2 H 1.75 . 2 274 . 50 LYS HB3 H 1.85 . 2 275 . 50 LYS HG2 H 1.45 . 1 276 . 50 LYS HG3 H 1.45 . 1 277 . 51 ALA H H 7.81 . 1 278 . 51 ALA HA H 4.1 . 1 279 . 51 ALA HB H 1.32 . 1 stop_ save_