data_10096 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 10096 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Study of ineteraction between LolB and LolA' 'Protein-Protein Interaction' ; The data from this entries were used to investigate an interaction between LolA and LolB ; 10096 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID 1 'protein-protein interaction' 10096 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10096 _Entry.Title ; Backbone Resonance Assignments for LolB ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-01-31 _Entry.Accession_date 2007-01-31 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Shingo Nakada . . . 10096 2 Masayoshi Sakakura . . . 10096 3 Hideo Takahashi . . . 10096 4 Hajime Tokuda . . . 10096 5 Ichio Shimada . . . 10096 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Graduate School of Pharmaceutical Sciences, The University of Tokyo' . 10096 1 . 'Genomic Science Laboratory, Dainippon Sumitomo Pharma Co., Ltd.' . 10096 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10096 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 476 10096 '15N chemical shifts' 159 10096 '1H chemical shifts' 159 10096 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-08-31 2007-01-31 update BMRB 'complete entry citation' 10096 1 . . 2007-08-22 2007-01-31 original author 'original release' 10096 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10096 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636844 _Citation.Full_citation . _Citation.Title 'Backbone resonance assignment for the outer membrane lipoprotein receptor LolB from Escherichia coli' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 1 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 121 _Citation.Page_last 123 _Citation.Year 2007 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Nakada Shingo . . . 10096 1 2 Sakakura Masayoshi . . . 10096 1 3 Takahashi Hideo . . . 10096 1 4 Tokuda Hajime . . . 10096 1 5 Shimada Ichio . . . 10096 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10096 _Assembly.ID 1 _Assembly.Name 'LolB monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 21200 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10096 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'LolB monomer' 1 $LolB . . yes native no no . . . 10096 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1IWM . . 'X-ray Crystal Analysis' . . . 10096 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Outer-membrane lipoprotein receptor' 10096 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LolB _Entity.Sf_category entity _Entity.Sf_framecode LolB _Entity.Entry_ID 10096 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name LolB _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MASVTTPKGPGKSPDSPQWR QHQQDVRNLNQYQTRGAFAY ISDQQKVYARFFWQQTGQDR YRLLLTNPLGSTELELNAQP GNVQLVDNKGQRYTADDAEE MIGKLTGMPIPLNSLRQWIL GLPGDATDYKLDDQYRLSEI TYSQNGKNWKVVYGGYDTKT QPAMPANMELTDGGQRIKLK MDNWIVK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 187 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 21300 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The signal peptides (21 aa)at the N-terminus and the next Cys residue of LolB were removed in this recombinant protein. Instead, Met and Ala residues were attached to the N-terminus. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1IWM . "Crystal Structure Of The Outer Membrane Lipoprotein Receptor, Lolb" . . . . . 99.47 186 100.00 100.00 1.49e-132 . . . . 10096 1 2 no PDB 1IWN . "Crystal Structure Of The Outer Membrane Lipoprotein Receptor Lolb Complexed With Pegmme2000" . . . . . 99.47 186 100.00 100.00 1.49e-132 . . . . 10096 1 3 no PDB 3WJT . "Crystal Structure Of The L68d Variant Of Mlolb" . . . . . 95.19 178 99.44 99.44 3.12e-125 . . . . 10096 1 4 no PDB 3WJU . "Crystal Structure Of The L68d Variant Of Mlolb From Escherichia Coli" . . . . . 95.19 178 99.44 99.44 3.12e-125 . . . . 10096 1 5 no PDB 3WJV . "Crystal Structure Of The L68e Variant Of Mlolb" . . . . . 99.47 186 99.46 99.46 1.30e-131 . . . . 10096 1 6 no DBJ BAA01105 . "5-aminolevulinate synthase [Escherichia coli]" . . . . . 99.47 207 99.46 99.46 5.16e-132 . . . . 10096 1 7 no DBJ BAA36067 . "chaperone for lipoproteins [Escherichia coli str. K12 substr. W3110]" . . . . . 99.47 207 99.46 99.46 5.27e-132 . . . . 10096 1 8 no DBJ BAB35137 . "5-aminolevulinate synthase HemM [Escherichia coli O157:H7 str. Sakai]" . . . . . 99.47 207 99.46 99.46 5.27e-132 . . . . 10096 1 9 no DBJ BAG76783 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 99.47 207 99.46 99.46 5.27e-132 . . . . 10096 1 10 no DBJ BAI25021 . "chaperone LolB [Escherichia coli O26:H11 str. 11368]" . . . . . 99.47 207 99.46 99.46 5.27e-132 . . . . 10096 1 11 no EMBL CAP75748 . "Outer-membrane lipoprotein lolB [Escherichia coli LF82]" . . . . . 99.47 207 98.92 99.46 1.59e-131 . . . . 10096 1 12 no EMBL CAQ31711 . "outer membrane lipoprotein, localization of lipoproteins in the outer membrane [Escherichia coli BL21(DE3)]" . . . . . 99.47 207 99.46 99.46 5.27e-132 . . . . 10096 1 13 no EMBL CAQ89267 . "chaperone for lipoproteins [Escherichia fergusonii ATCC 35469]" . . . . . 99.47 207 97.31 99.46 1.69e-130 . . . . 10096 1 14 no EMBL CAQ98089 . "chaperone for lipoproteins [Escherichia coli IAI1]" . . . . . 99.47 207 99.46 99.46 5.27e-132 . . . . 10096 1 15 no EMBL CAR02603 . "chaperone for lipoproteins [Escherichia coli S88]" . . . . . 99.47 207 98.92 99.46 1.22e-131 . . . . 10096 1 16 no GB AAA24433 . "ORF1 [Escherichia coli]" . . . . . 99.47 207 99.46 99.46 5.27e-132 . . . . 10096 1 17 no GB AAC74293 . "lipoprotein localization factor [Escherichia coli str. K-12 substr. MG1655]" . . . . . 99.47 207 99.46 99.46 5.27e-132 . . . . 10096 1 18 no GB AAG56067 . "an enzyme in main pathway of synthesis of 5-aminolevulinate, possibly glutamyl-tRNA dehydrogenase [Escherichia coli O157:H7 str" . . . . . 99.47 207 99.46 99.46 5.27e-132 . . . . 10096 1 19 no GB AAN42825 . "carrier of lipoproteins to outer membrane [Shigella flexneri 2a str. 301]" . . . . . 99.47 207 99.46 99.46 5.27e-132 . . . . 10096 1 20 no GB AAN80132 . "Outer-membrane lipoprotein lolB precursor [Escherichia coli CFT073]" . . . . . 99.47 229 98.39 99.46 1.67e-131 . . . . 10096 1 21 no REF NP_309741 . "outer membrane lipoprotein LolB [Escherichia coli O157:H7 str. Sakai]" . . . . . 99.47 207 99.46 99.46 5.27e-132 . . . . 10096 1 22 no REF NP_415727 . "lipoprotein localization factor [Escherichia coli str. K-12 substr. MG1655]" . . . . . 99.47 207 99.46 99.46 5.27e-132 . . . . 10096 1 23 no REF NP_707118 . "molecular chaperone LolB [Shigella flexneri 2a str. 301]" . . . . . 99.47 207 99.46 99.46 5.27e-132 . . . . 10096 1 24 no REF WP_000174480 . "MULTISPECIES: outer membrane lipoprotein LolB [Enterobacteriaceae]" . . . . . 99.47 207 99.46 99.46 3.71e-132 . . . . 10096 1 25 no REF WP_001130605 . "outer membrane lipoprotein LolB [Escherichia coli]" . . . . . 99.47 207 98.92 99.46 1.89e-131 . . . . 10096 1 26 no SP A7ZKY3 . "RecName: Full=Outer-membrane lipoprotein LolB; Flags: Precursor" . . . . . 99.47 207 99.46 99.46 5.27e-132 . . . . 10096 1 27 no SP A7ZZE5 . "RecName: Full=Outer-membrane lipoprotein LolB; Flags: Precursor" . . . . . 99.47 207 99.46 99.46 5.27e-132 . . . . 10096 1 28 no SP B1IU84 . "RecName: Full=Outer-membrane lipoprotein LolB; Flags: Precursor" . . . . . 99.47 207 99.46 99.46 5.27e-132 . . . . 10096 1 29 no SP B1LH91 . "RecName: Full=Outer-membrane lipoprotein LolB; Flags: Precursor" . . . . . 99.47 207 98.92 99.46 1.22e-131 . . . . 10096 1 30 no SP B1XAQ0 . "RecName: Full=Outer-membrane lipoprotein LolB; Flags: Precursor" . . . . . 99.47 207 99.46 99.46 5.27e-132 . . . . 10096 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Outer-membrane lipoprotein receptor' 10096 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -1 MET . 10096 1 2 0 ALA . 10096 1 3 1 SER . 10096 1 4 2 VAL . 10096 1 5 3 THR . 10096 1 6 4 THR . 10096 1 7 5 PRO . 10096 1 8 6 LYS . 10096 1 9 7 GLY . 10096 1 10 8 PRO . 10096 1 11 9 GLY . 10096 1 12 10 LYS . 10096 1 13 11 SER . 10096 1 14 12 PRO . 10096 1 15 13 ASP . 10096 1 16 14 SER . 10096 1 17 15 PRO . 10096 1 18 16 GLN . 10096 1 19 17 TRP . 10096 1 20 18 ARG . 10096 1 21 19 GLN . 10096 1 22 20 HIS . 10096 1 23 21 GLN . 10096 1 24 22 GLN . 10096 1 25 23 ASP . 10096 1 26 24 VAL . 10096 1 27 25 ARG . 10096 1 28 26 ASN . 10096 1 29 27 LEU . 10096 1 30 28 ASN . 10096 1 31 29 GLN . 10096 1 32 30 TYR . 10096 1 33 31 GLN . 10096 1 34 32 THR . 10096 1 35 33 ARG . 10096 1 36 34 GLY . 10096 1 37 35 ALA . 10096 1 38 36 PHE . 10096 1 39 37 ALA . 10096 1 40 38 TYR . 10096 1 41 39 ILE . 10096 1 42 40 SER . 10096 1 43 41 ASP . 10096 1 44 42 GLN . 10096 1 45 43 GLN . 10096 1 46 44 LYS . 10096 1 47 45 VAL . 10096 1 48 46 TYR . 10096 1 49 47 ALA . 10096 1 50 48 ARG . 10096 1 51 49 PHE . 10096 1 52 50 PHE . 10096 1 53 51 TRP . 10096 1 54 52 GLN . 10096 1 55 53 GLN . 10096 1 56 54 THR . 10096 1 57 55 GLY . 10096 1 58 56 GLN . 10096 1 59 57 ASP . 10096 1 60 58 ARG . 10096 1 61 59 TYR . 10096 1 62 60 ARG . 10096 1 63 61 LEU . 10096 1 64 62 LEU . 10096 1 65 63 LEU . 10096 1 66 64 THR . 10096 1 67 65 ASN . 10096 1 68 66 PRO . 10096 1 69 67 LEU . 10096 1 70 68 GLY . 10096 1 71 69 SER . 10096 1 72 70 THR . 10096 1 73 71 GLU . 10096 1 74 72 LEU . 10096 1 75 73 GLU . 10096 1 76 74 LEU . 10096 1 77 75 ASN . 10096 1 78 76 ALA . 10096 1 79 77 GLN . 10096 1 80 78 PRO . 10096 1 81 79 GLY . 10096 1 82 80 ASN . 10096 1 83 81 VAL . 10096 1 84 82 GLN . 10096 1 85 83 LEU . 10096 1 86 84 VAL . 10096 1 87 85 ASP . 10096 1 88 86 ASN . 10096 1 89 87 LYS . 10096 1 90 88 GLY . 10096 1 91 89 GLN . 10096 1 92 90 ARG . 10096 1 93 91 TYR . 10096 1 94 92 THR . 10096 1 95 93 ALA . 10096 1 96 94 ASP . 10096 1 97 95 ASP . 10096 1 98 96 ALA . 10096 1 99 97 GLU . 10096 1 100 98 GLU . 10096 1 101 99 MET . 10096 1 102 100 ILE . 10096 1 103 101 GLY . 10096 1 104 102 LYS . 10096 1 105 103 LEU . 10096 1 106 104 THR . 10096 1 107 105 GLY . 10096 1 108 106 MET . 10096 1 109 107 PRO . 10096 1 110 108 ILE . 10096 1 111 109 PRO . 10096 1 112 110 LEU . 10096 1 113 111 ASN . 10096 1 114 112 SER . 10096 1 115 113 LEU . 10096 1 116 114 ARG . 10096 1 117 115 GLN . 10096 1 118 116 TRP . 10096 1 119 117 ILE . 10096 1 120 118 LEU . 10096 1 121 119 GLY . 10096 1 122 120 LEU . 10096 1 123 121 PRO . 10096 1 124 122 GLY . 10096 1 125 123 ASP . 10096 1 126 124 ALA . 10096 1 127 125 THR . 10096 1 128 126 ASP . 10096 1 129 127 TYR . 10096 1 130 128 LYS . 10096 1 131 129 LEU . 10096 1 132 130 ASP . 10096 1 133 131 ASP . 10096 1 134 132 GLN . 10096 1 135 133 TYR . 10096 1 136 134 ARG . 10096 1 137 135 LEU . 10096 1 138 136 SER . 10096 1 139 137 GLU . 10096 1 140 138 ILE . 10096 1 141 139 THR . 10096 1 142 140 TYR . 10096 1 143 141 SER . 10096 1 144 142 GLN . 10096 1 145 143 ASN . 10096 1 146 144 GLY . 10096 1 147 145 LYS . 10096 1 148 146 ASN . 10096 1 149 147 TRP . 10096 1 150 148 LYS . 10096 1 151 149 VAL . 10096 1 152 150 VAL . 10096 1 153 151 TYR . 10096 1 154 152 GLY . 10096 1 155 153 GLY . 10096 1 156 154 TYR . 10096 1 157 155 ASP . 10096 1 158 156 THR . 10096 1 159 157 LYS . 10096 1 160 158 THR . 10096 1 161 159 GLN . 10096 1 162 160 PRO . 10096 1 163 161 ALA . 10096 1 164 162 MET . 10096 1 165 163 PRO . 10096 1 166 164 ALA . 10096 1 167 165 ASN . 10096 1 168 166 MET . 10096 1 169 167 GLU . 10096 1 170 168 LEU . 10096 1 171 169 THR . 10096 1 172 170 ASP . 10096 1 173 171 GLY . 10096 1 174 172 GLY . 10096 1 175 173 GLN . 10096 1 176 174 ARG . 10096 1 177 175 ILE . 10096 1 178 176 LYS . 10096 1 179 177 LEU . 10096 1 180 178 LYS . 10096 1 181 179 MET . 10096 1 182 180 ASP . 10096 1 183 181 ASN . 10096 1 184 182 TRP . 10096 1 185 183 ILE . 10096 1 186 184 VAL . 10096 1 187 185 LYS . 10096 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 10096 1 . ALA 2 2 10096 1 . SER 3 3 10096 1 . VAL 4 4 10096 1 . THR 5 5 10096 1 . THR 6 6 10096 1 . PRO 7 7 10096 1 . LYS 8 8 10096 1 . GLY 9 9 10096 1 . PRO 10 10 10096 1 . GLY 11 11 10096 1 . LYS 12 12 10096 1 . SER 13 13 10096 1 . PRO 14 14 10096 1 . ASP 15 15 10096 1 . SER 16 16 10096 1 . PRO 17 17 10096 1 . GLN 18 18 10096 1 . TRP 19 19 10096 1 . ARG 20 20 10096 1 . GLN 21 21 10096 1 . HIS 22 22 10096 1 . GLN 23 23 10096 1 . GLN 24 24 10096 1 . ASP 25 25 10096 1 . VAL 26 26 10096 1 . ARG 27 27 10096 1 . ASN 28 28 10096 1 . LEU 29 29 10096 1 . ASN 30 30 10096 1 . GLN 31 31 10096 1 . TYR 32 32 10096 1 . GLN 33 33 10096 1 . THR 34 34 10096 1 . ARG 35 35 10096 1 . GLY 36 36 10096 1 . ALA 37 37 10096 1 . PHE 38 38 10096 1 . ALA 39 39 10096 1 . TYR 40 40 10096 1 . ILE 41 41 10096 1 . SER 42 42 10096 1 . ASP 43 43 10096 1 . GLN 44 44 10096 1 . GLN 45 45 10096 1 . LYS 46 46 10096 1 . VAL 47 47 10096 1 . TYR 48 48 10096 1 . ALA 49 49 10096 1 . ARG 50 50 10096 1 . PHE 51 51 10096 1 . PHE 52 52 10096 1 . TRP 53 53 10096 1 . GLN 54 54 10096 1 . GLN 55 55 10096 1 . THR 56 56 10096 1 . GLY 57 57 10096 1 . GLN 58 58 10096 1 . ASP 59 59 10096 1 . ARG 60 60 10096 1 . TYR 61 61 10096 1 . ARG 62 62 10096 1 . LEU 63 63 10096 1 . LEU 64 64 10096 1 . LEU 65 65 10096 1 . THR 66 66 10096 1 . ASN 67 67 10096 1 . PRO 68 68 10096 1 . LEU 69 69 10096 1 . GLY 70 70 10096 1 . SER 71 71 10096 1 . THR 72 72 10096 1 . GLU 73 73 10096 1 . LEU 74 74 10096 1 . GLU 75 75 10096 1 . LEU 76 76 10096 1 . ASN 77 77 10096 1 . ALA 78 78 10096 1 . GLN 79 79 10096 1 . PRO 80 80 10096 1 . GLY 81 81 10096 1 . ASN 82 82 10096 1 . VAL 83 83 10096 1 . GLN 84 84 10096 1 . LEU 85 85 10096 1 . VAL 86 86 10096 1 . ASP 87 87 10096 1 . ASN 88 88 10096 1 . LYS 89 89 10096 1 . GLY 90 90 10096 1 . GLN 91 91 10096 1 . ARG 92 92 10096 1 . TYR 93 93 10096 1 . THR 94 94 10096 1 . ALA 95 95 10096 1 . ASP 96 96 10096 1 . ASP 97 97 10096 1 . ALA 98 98 10096 1 . GLU 99 99 10096 1 . GLU 100 100 10096 1 . MET 101 101 10096 1 . ILE 102 102 10096 1 . GLY 103 103 10096 1 . LYS 104 104 10096 1 . LEU 105 105 10096 1 . THR 106 106 10096 1 . GLY 107 107 10096 1 . MET 108 108 10096 1 . PRO 109 109 10096 1 . ILE 110 110 10096 1 . PRO 111 111 10096 1 . LEU 112 112 10096 1 . ASN 113 113 10096 1 . SER 114 114 10096 1 . LEU 115 115 10096 1 . ARG 116 116 10096 1 . GLN 117 117 10096 1 . TRP 118 118 10096 1 . ILE 119 119 10096 1 . LEU 120 120 10096 1 . GLY 121 121 10096 1 . LEU 122 122 10096 1 . PRO 123 123 10096 1 . GLY 124 124 10096 1 . ASP 125 125 10096 1 . ALA 126 126 10096 1 . THR 127 127 10096 1 . ASP 128 128 10096 1 . TYR 129 129 10096 1 . LYS 130 130 10096 1 . LEU 131 131 10096 1 . ASP 132 132 10096 1 . ASP 133 133 10096 1 . GLN 134 134 10096 1 . TYR 135 135 10096 1 . ARG 136 136 10096 1 . LEU 137 137 10096 1 . SER 138 138 10096 1 . GLU 139 139 10096 1 . ILE 140 140 10096 1 . THR 141 141 10096 1 . TYR 142 142 10096 1 . SER 143 143 10096 1 . GLN 144 144 10096 1 . ASN 145 145 10096 1 . GLY 146 146 10096 1 . LYS 147 147 10096 1 . ASN 148 148 10096 1 . TRP 149 149 10096 1 . LYS 150 150 10096 1 . VAL 151 151 10096 1 . VAL 152 152 10096 1 . TYR 153 153 10096 1 . GLY 154 154 10096 1 . GLY 155 155 10096 1 . TYR 156 156 10096 1 . ASP 157 157 10096 1 . THR 158 158 10096 1 . LYS 159 159 10096 1 . THR 160 160 10096 1 . GLN 161 161 10096 1 . PRO 162 162 10096 1 . ALA 163 163 10096 1 . MET 164 164 10096 1 . PRO 165 165 10096 1 . ALA 166 166 10096 1 . ASN 167 167 10096 1 . MET 168 168 10096 1 . GLU 169 169 10096 1 . LEU 170 170 10096 1 . THR 171 171 10096 1 . ASP 172 172 10096 1 . GLY 173 173 10096 1 . GLY 174 174 10096 1 . GLN 175 175 10096 1 . ARG 176 176 10096 1 . ILE 177 177 10096 1 . LYS 178 178 10096 1 . LEU 179 179 10096 1 . LYS 180 180 10096 1 . MET 181 181 10096 1 . ASP 182 182 10096 1 . ASN 183 183 10096 1 . TRP 184 184 10096 1 . ILE 185 185 10096 1 . VAL 186 186 10096 1 . LYS 187 187 10096 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 10096 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $LolB . 83333 . no . 'Escherichia coli K-12' . . Bacteria . Escherichia coli K12 . . . . . . . . . . . no . . . . . . . . 10096 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 10096 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $LolB . 'recombinant technology' . 'E. coli' . . Esherichia coli K12 . . . . . . . . . . . . . . . . . . . . . . 10096 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10096 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 LolB '[U-2H; U-13C; U-15N]' . . 1 $LolB . protein . 0.5 1.0 mM . . . . 10096 1 2 MES . . . . . . buffer 38 . . mM . . . . 10096 1 3 D2O . . . . . . solvent 10 . . % . . . . 10096 1 4 H2O . . . . . . solvent 90 . . % . . . . 10096 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 10096 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.9 0.2 pH 10096 1 temperature 310 0.1 K 10096 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10096 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Japan' 'Ninomiya 3-21-5, Tsukuba, Ibaraki 305-0051' info@bruker-biospin.jp 10096 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data collection' 10096 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10096 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.110 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'T. D. Goddard and D. G. Kneller' 'University of California, San Francisco' sparky@cgl.ucsf.edu 10096 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignments' 10096 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10096 _Software.ID 3 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 10096 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 10096 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details ; The address and e-mail address of the machine's vendor are listed below. Address: Ninomiya 3-21-5, Tsukuba, Ibaraki 305-0051 E-mail: info@bruker-biospin.jp ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance600 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10096 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H15N TROSY-HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10096 1 2 TROSY-HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10096 1 3 TROSY-HN(CO)CACB no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10096 1 4 TROSY-HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10096 1 5 TROSY-HN(CO)CA no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10096 1 6 TROSY-HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10096 1 stop_ save_ save_1H15N_TROSY-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_TROSY-HSQC _NMR_spec_expt.Entry_ID 10096 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H15N TROSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_TROSY-HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode TROSY-HNCACB _NMR_spec_expt.Entry_ID 10096 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name TROSY-HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_TROSY-HN(CO)CACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode TROSY-HN(CO)CACB _NMR_spec_expt.Entry_ID 10096 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name TROSY-HN(CO)CACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_TROSY-HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode TROSY-HNCA _NMR_spec_expt.Entry_ID 10096 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name TROSY-HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_TROSY-HN(CO)CA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode TROSY-HN(CO)CA _NMR_spec_expt.Entry_ID 10096 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name TROSY-HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_TROSY-HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode TROSY-HNCO _NMR_spec_expt.Entry_ID 10096 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name TROSY-HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing_1 _Chem_shift_reference.Entry_ID 10096 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 10096 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.0 . . . . . . . . . 10096 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10096 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 10096 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H15N TROSY-HSQC' 1 $sample_1 isotropic 10096 1 2 TROSY-HNCACB 1 $sample_1 isotropic 10096 1 3 TROSY-HN(CO)CACB 1 $sample_1 isotropic 10096 1 4 TROSY-HNCA 1 $sample_1 isotropic 10096 1 5 TROSY-HN(CO)CA 1 $sample_1 isotropic 10096 1 6 TROSY-HNCO 1 $sample_1 isotropic 10096 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 14 14 PRO C C 13 176.060 0.344 . 1 . . . . 12 PRO C . 10096 1 2 . 1 1 14 14 PRO CA C 13 63.468 0.484 . 1 . . . . 12 PRO CA . 10096 1 3 . 1 1 14 14 PRO CB C 13 31.509 0.484 . 1 . . . . 12 PRO CB . 10096 1 4 . 1 1 15 15 ASP H H 1 8.138 0.004 . 1 . . . . 13 ASP H . 10096 1 5 . 1 1 15 15 ASP C C 13 175.849 0.344 . 1 . . . . 13 ASP C . 10096 1 6 . 1 1 15 15 ASP CA C 13 53.442 0.484 . 1 . . . . 13 ASP CA . 10096 1 7 . 1 1 15 15 ASP CB C 13 40.889 0.484 . 1 . . . . 13 ASP CB . 10096 1 8 . 1 1 15 15 ASP N N 15 120.066 0.125 . 1 . . . . 13 ASP N . 10096 1 9 . 1 1 16 16 SER H H 1 7.934 0.004 . 1 . . . . 14 SER H . 10096 1 10 . 1 1 16 16 SER CA C 13 56.626 0.484 . 1 . . . . 14 SER CA . 10096 1 11 . 1 1 16 16 SER CB C 13 63.743 0.484 . 1 . . . . 14 SER CB . 10096 1 12 . 1 1 16 16 SER N N 15 117.926 0.125 . 1 . . . . 14 SER N . 10096 1 13 . 1 1 18 18 GLN C C 13 179.325 0.344 . 1 . . . . 16 GLN C . 10096 1 14 . 1 1 18 18 GLN CA C 13 59.403 0.484 . 1 . . . . 16 GLN CA . 10096 1 15 . 1 1 18 18 GLN CB C 13 26.913 0.484 . 1 . . . . 16 GLN CB . 10096 1 16 . 1 1 19 19 TRP H H 1 7.340 0.004 . 1 . . . . 17 TRP H . 10096 1 17 . 1 1 19 19 TRP C C 13 178.434 0.344 . 1 . . . . 17 TRP C . 10096 1 18 . 1 1 19 19 TRP CA C 13 57.503 0.484 . 1 . . . . 17 TRP CA . 10096 1 19 . 1 1 19 19 TRP CB C 13 31.131 0.484 . 1 . . . . 17 TRP CB . 10096 1 20 . 1 1 19 19 TRP N N 15 122.854 0.125 . 1 . . . . 17 TRP N . 10096 1 21 . 1 1 20 20 ARG H H 1 7.741 0.004 . 1 . . . . 18 ARG H . 10096 1 22 . 1 1 20 20 ARG C C 13 179.252 0.344 . 1 . . . . 18 ARG C . 10096 1 23 . 1 1 20 20 ARG CA C 13 59.821 0.484 . 1 . . . . 18 ARG CA . 10096 1 24 . 1 1 20 20 ARG CB C 13 28.711 0.484 . 1 . . . . 18 ARG CB . 10096 1 25 . 1 1 20 20 ARG N N 15 120.630 0.125 . 1 . . . . 18 ARG N . 10096 1 26 . 1 1 21 21 GLN H H 1 8.188 0.004 . 1 . . . . 19 GLN H . 10096 1 27 . 1 1 21 21 GLN C C 13 176.850 0.344 . 1 . . . . 19 GLN C . 10096 1 28 . 1 1 21 21 GLN CA C 13 57.971 0.484 . 1 . . . . 19 GLN CA . 10096 1 29 . 1 1 21 21 GLN CB C 13 27.688 0.484 . 1 . . . . 19 GLN CB . 10096 1 30 . 1 1 21 21 GLN N N 15 119.970 0.125 . 1 . . . . 19 GLN N . 10096 1 31 . 1 1 22 22 HIS H H 1 7.903 0.004 . 1 . . . . 20 HIS H . 10096 1 32 . 1 1 22 22 HIS C C 13 176.854 0.344 . 1 . . . . 20 HIS C . 10096 1 33 . 1 1 22 22 HIS CA C 13 60.421 0.484 . 1 . . . . 20 HIS CA . 10096 1 34 . 1 1 22 22 HIS CB C 13 30.072 0.484 . 1 . . . . 20 HIS CB . 10096 1 35 . 1 1 22 22 HIS N N 15 120.813 0.125 . 1 . . . . 20 HIS N . 10096 1 36 . 1 1 23 23 GLN H H 1 7.513 0.004 . 1 . . . . 21 GLN H . 10096 1 37 . 1 1 23 23 GLN C C 13 177.907 0.344 . 1 . . . . 21 GLN C . 10096 1 38 . 1 1 23 23 GLN CA C 13 58.938 0.484 . 1 . . . . 21 GLN CA . 10096 1 39 . 1 1 23 23 GLN CB C 13 30.174 0.484 . 1 . . . . 21 GLN CB . 10096 1 40 . 1 1 23 23 GLN N N 15 114.377 0.125 . 1 . . . . 21 GLN N . 10096 1 41 . 1 1 24 24 GLN H H 1 7.440 0.004 . 1 . . . . 22 GLN H . 10096 1 42 . 1 1 24 24 GLN C C 13 177.498 0.344 . 1 . . . . 22 GLN C . 10096 1 43 . 1 1 24 24 GLN CA C 13 58.318 0.484 . 1 . . . . 22 GLN CA . 10096 1 44 . 1 1 24 24 GLN CB C 13 27.730 0.484 . 1 . . . . 22 GLN CB . 10096 1 45 . 1 1 24 24 GLN N N 15 119.041 0.125 . 1 . . . . 22 GLN N . 10096 1 46 . 1 1 25 25 ASP H H 1 8.522 0.004 . 1 . . . . 23 ASP H . 10096 1 47 . 1 1 25 25 ASP C C 13 179.486 0.344 . 1 . . . . 23 ASP C . 10096 1 48 . 1 1 25 25 ASP CA C 13 56.830 0.484 . 1 . . . . 23 ASP CA . 10096 1 49 . 1 1 25 25 ASP CB C 13 39.652 0.484 . 1 . . . . 23 ASP CB . 10096 1 50 . 1 1 25 25 ASP N N 15 121.180 0.125 . 1 . . . . 23 ASP N . 10096 1 51 . 1 1 26 26 VAL H H 1 7.750 0.004 . 1 . . . . 24 VAL H . 10096 1 52 . 1 1 26 26 VAL C C 13 179.808 0.344 . 1 . . . . 24 VAL C . 10096 1 53 . 1 1 26 26 VAL CA C 13 65.821 0.484 . 1 . . . . 24 VAL CA . 10096 1 54 . 1 1 26 26 VAL N N 15 120.128 0.125 . 1 . . . . 24 VAL N . 10096 1 55 . 1 1 27 27 ARG H H 1 8.232 0.004 . 1 . . . . 25 ARG H . 10096 1 56 . 1 1 27 27 ARG C C 13 176.531 0.344 . 1 . . . . 25 ARG C . 10096 1 57 . 1 1 27 27 ARG CA C 13 58.637 0.484 . 1 . . . . 25 ARG CA . 10096 1 58 . 1 1 27 27 ARG CB C 13 29.494 0.484 . 1 . . . . 25 ARG CB . 10096 1 59 . 1 1 27 27 ARG N N 15 121.350 0.125 . 1 . . . . 25 ARG N . 10096 1 60 . 1 1 28 28 ASN H H 1 7.733 0.004 . 1 . . . . 26 ASN H . 10096 1 61 . 1 1 28 28 ASN C C 13 176.391 0.344 . 1 . . . . 26 ASN C . 10096 1 62 . 1 1 28 28 ASN CA C 13 53.102 0.484 . 1 . . . . 26 ASN CA . 10096 1 63 . 1 1 28 28 ASN CB C 13 38.243 0.484 . 1 . . . . 26 ASN CB . 10096 1 64 . 1 1 28 28 ASN N N 15 117.518 0.125 . 1 . . . . 26 ASN N . 10096 1 65 . 1 1 29 29 LEU H H 1 6.969 0.004 . 1 . . . . 27 LEU H . 10096 1 66 . 1 1 29 29 LEU C C 13 174.816 0.344 . 1 . . . . 27 LEU C . 10096 1 67 . 1 1 29 29 LEU CA C 13 54.859 0.484 . 1 . . . . 27 LEU CA . 10096 1 68 . 1 1 29 29 LEU CB C 13 41.044 0.484 . 1 . . . . 27 LEU CB . 10096 1 69 . 1 1 29 29 LEU N N 15 122.507 0.125 . 1 . . . . 27 LEU N . 10096 1 70 . 1 1 30 30 ASN H H 1 9.450 0.004 . 1 . . . . 28 ASN H . 10096 1 71 . 1 1 30 30 ASN C C 13 174.822 0.344 . 1 . . . . 28 ASN C . 10096 1 72 . 1 1 30 30 ASN CA C 13 54.770 0.484 . 1 . . . . 28 ASN CA . 10096 1 73 . 1 1 30 30 ASN CB C 13 42.031 0.484 . 1 . . . . 28 ASN CB . 10096 1 74 . 1 1 30 30 ASN N N 15 117.649 0.125 . 1 . . . . 28 ASN N . 10096 1 75 . 1 1 31 31 GLN H H 1 8.280 0.004 . 1 . . . . 29 GLN H . 10096 1 76 . 1 1 31 31 GLN C C 13 173.283 0.344 . 1 . . . . 29 GLN C . 10096 1 77 . 1 1 31 31 GLN CA C 13 54.590 0.484 . 1 . . . . 29 GLN CA . 10096 1 78 . 1 1 31 31 GLN CB C 13 31.954 0.484 . 1 . . . . 29 GLN CB . 10096 1 79 . 1 1 31 31 GLN N N 15 120.072 0.125 . 1 . . . . 29 GLN N . 10096 1 80 . 1 1 32 32 TYR H H 1 8.922 0.004 . 1 . . . . 30 TYR H . 10096 1 81 . 1 1 32 32 TYR C C 13 175.835 0.344 . 1 . . . . 30 TYR C . 10096 1 82 . 1 1 32 32 TYR CA C 13 55.419 0.484 . 1 . . . . 30 TYR CA . 10096 1 83 . 1 1 32 32 TYR CB C 13 41.450 0.484 . 1 . . . . 30 TYR CB . 10096 1 84 . 1 1 32 32 TYR N N 15 120.227 0.125 . 1 . . . . 30 TYR N . 10096 1 85 . 1 1 33 33 GLN H H 1 9.190 0.004 . 1 . . . . 31 GLN H . 10096 1 86 . 1 1 33 33 GLN C C 13 173.956 0.344 . 1 . . . . 31 GLN C . 10096 1 87 . 1 1 33 33 GLN CA C 13 54.589 0.484 . 1 . . . . 31 GLN CA . 10096 1 88 . 1 1 33 33 GLN CB C 13 32.333 0.484 . 1 . . . . 31 GLN CB . 10096 1 89 . 1 1 33 33 GLN N N 15 123.234 0.125 . 1 . . . . 31 GLN N . 10096 1 90 . 1 1 34 34 THR H H 1 9.070 0.004 . 1 . . . . 32 THR H . 10096 1 91 . 1 1 34 34 THR C C 13 171.008 0.344 . 1 . . . . 32 THR C . 10096 1 92 . 1 1 34 34 THR CA C 13 59.401 0.484 . 1 . . . . 32 THR CA . 10096 1 93 . 1 1 34 34 THR CB C 13 68.996 0.484 . 1 . . . . 32 THR CB . 10096 1 94 . 1 1 34 34 THR N N 15 120.641 0.125 . 1 . . . . 32 THR N . 10096 1 95 . 1 1 35 35 ARG H H 1 7.559 0.004 . 1 . . . . 33 ARG H . 10096 1 96 . 1 1 35 35 ARG C C 13 174.096 0.344 . 1 . . . . 33 ARG C . 10096 1 97 . 1 1 35 35 ARG CA C 13 52.860 0.484 . 1 . . . . 33 ARG CA . 10096 1 98 . 1 1 35 35 ARG CB C 13 32.448 0.484 . 1 . . . . 33 ARG CB . 10096 1 99 . 1 1 35 35 ARG N N 15 121.458 0.125 . 1 . . . . 33 ARG N . 10096 1 100 . 1 1 36 36 GLY H H 1 7.380 0.004 . 1 . . . . 34 GLY H . 10096 1 101 . 1 1 36 36 GLY C C 13 172.292 0.344 . 1 . . . . 34 GLY C . 10096 1 102 . 1 1 36 36 GLY CA C 13 46.056 0.484 . 1 . . . . 34 GLY CA . 10096 1 103 . 1 1 36 36 GLY N N 15 108.073 0.125 . 1 . . . . 34 GLY N . 10096 1 104 . 1 1 37 37 ALA H H 1 9.059 0.004 . 1 . . . . 35 ALA H . 10096 1 105 . 1 1 37 37 ALA C C 13 175.008 0.344 . 1 . . . . 35 ALA C . 10096 1 106 . 1 1 37 37 ALA CA C 13 51.438 0.484 . 1 . . . . 35 ALA CA . 10096 1 107 . 1 1 37 37 ALA CB C 13 21.215 0.484 . 1 . . . . 35 ALA CB . 10096 1 108 . 1 1 37 37 ALA N N 15 128.522 0.125 . 1 . . . . 35 ALA N . 10096 1 109 . 1 1 38 38 PHE H H 1 9.181 0.004 . 1 . . . . 36 PHE H . 10096 1 110 . 1 1 38 38 PHE C C 13 173.407 0.344 . 1 . . . . 36 PHE C . 10096 1 111 . 1 1 38 38 PHE CA C 13 55.861 0.484 . 1 . . . . 36 PHE CA . 10096 1 112 . 1 1 38 38 PHE CB C 13 42.518 0.484 . 1 . . . . 36 PHE CB . 10096 1 113 . 1 1 38 38 PHE N N 15 125.354 0.125 . 1 . . . . 36 PHE N . 10096 1 114 . 1 1 39 39 ALA H H 1 8.287 0.004 . 1 . . . . 37 ALA H . 10096 1 115 . 1 1 39 39 ALA C C 13 174.072 0.344 . 1 . . . . 37 ALA C . 10096 1 116 . 1 1 39 39 ALA CA C 13 50.436 0.484 . 1 . . . . 37 ALA CA . 10096 1 117 . 1 1 39 39 ALA CB C 13 21.699 0.484 . 1 . . . . 37 ALA CB . 10096 1 118 . 1 1 39 39 ALA N N 15 132.021 0.125 . 1 . . . . 37 ALA N . 10096 1 119 . 1 1 40 40 TYR H H 1 8.814 0.004 . 1 . . . . 38 TYR H . 10096 1 120 . 1 1 40 40 TYR C C 13 173.561 0.344 . 1 . . . . 38 TYR C . 10096 1 121 . 1 1 40 40 TYR CA C 13 56.275 0.484 . 1 . . . . 38 TYR CA . 10096 1 122 . 1 1 40 40 TYR CB C 13 41.643 0.484 . 1 . . . . 38 TYR CB . 10096 1 123 . 1 1 40 40 TYR N N 15 124.130 0.125 . 1 . . . . 38 TYR N . 10096 1 124 . 1 1 41 41 ILE H H 1 8.574 0.004 . 1 . . . . 39 ILE H . 10096 1 125 . 1 1 41 41 ILE C C 13 174.000 0.344 . 1 . . . . 39 ILE C . 10096 1 126 . 1 1 41 41 ILE CA C 13 59.909 0.484 . 1 . . . . 39 ILE CA . 10096 1 127 . 1 1 41 41 ILE CB C 13 40.394 0.484 . 1 . . . . 39 ILE CB . 10096 1 128 . 1 1 41 41 ILE N N 15 127.825 0.125 . 1 . . . . 39 ILE N . 10096 1 129 . 1 1 42 42 SER H H 1 8.347 0.004 . 1 . . . . 40 SER H . 10096 1 130 . 1 1 42 42 SER CA C 13 56.103 0.484 . 1 . . . . 40 SER CA . 10096 1 131 . 1 1 42 42 SER CB C 13 66.497 0.484 . 1 . . . . 40 SER CB . 10096 1 132 . 1 1 42 42 SER N N 15 123.700 0.125 . 1 . . . . 40 SER N . 10096 1 133 . 1 1 43 43 ASP C C 13 177.055 0.344 . 1 . . . . 41 ASP C . 10096 1 134 . 1 1 43 43 ASP CA C 13 56.680 0.484 . 1 . . . . 41 ASP CA . 10096 1 135 . 1 1 43 43 ASP CB C 13 39.739 0.484 . 1 . . . . 41 ASP CB . 10096 1 136 . 1 1 44 44 GLN H H 1 8.115 0.004 . 1 . . . . 42 GLN H . 10096 1 137 . 1 1 44 44 GLN C C 13 175.856 0.344 . 1 . . . . 42 GLN C . 10096 1 138 . 1 1 44 44 GLN CA C 13 56.359 0.484 . 1 . . . . 42 GLN CA . 10096 1 139 . 1 1 44 44 GLN CB C 13 29.811 0.484 . 1 . . . . 42 GLN CB . 10096 1 140 . 1 1 44 44 GLN N N 15 116.673 0.125 . 1 . . . . 42 GLN N . 10096 1 141 . 1 1 45 45 GLN H H 1 7.582 0.004 . 1 . . . . 43 GLN H . 10096 1 142 . 1 1 45 45 GLN C C 13 173.189 0.344 . 1 . . . . 43 GLN C . 10096 1 143 . 1 1 45 45 GLN CA C 13 55.363 0.484 . 1 . . . . 43 GLN CA . 10096 1 144 . 1 1 45 45 GLN CB C 13 30.925 0.484 . 1 . . . . 43 GLN CB . 10096 1 145 . 1 1 45 45 GLN N N 15 118.736 0.125 . 1 . . . . 43 GLN N . 10096 1 146 . 1 1 46 46 LYS H H 1 8.276 0.004 . 1 . . . . 44 LYS H . 10096 1 147 . 1 1 46 46 LYS C C 13 175.482 0.344 . 1 . . . . 44 LYS C . 10096 1 148 . 1 1 46 46 LYS CA C 13 55.236 0.484 . 1 . . . . 44 LYS CA . 10096 1 149 . 1 1 46 46 LYS CB C 13 33.846 0.484 . 1 . . . . 44 LYS CB . 10096 1 150 . 1 1 46 46 LYS N N 15 123.533 0.125 . 1 . . . . 44 LYS N . 10096 1 151 . 1 1 47 47 VAL H H 1 9.289 0.004 . 1 . . . . 45 VAL H . 10096 1 152 . 1 1 47 47 VAL C C 13 173.569 0.344 . 1 . . . . 45 VAL C . 10096 1 153 . 1 1 47 47 VAL CA C 13 61.405 0.484 . 1 . . . . 45 VAL CA . 10096 1 154 . 1 1 47 47 VAL CB C 13 35.179 0.484 . 1 . . . . 45 VAL CB . 10096 1 155 . 1 1 47 47 VAL N N 15 126.492 0.125 . 1 . . . . 45 VAL N . 10096 1 156 . 1 1 48 48 TYR H H 1 8.442 0.004 . 1 . . . . 46 TYR H . 10096 1 157 . 1 1 48 48 TYR C C 13 175.284 0.344 . 1 . . . . 46 TYR C . 10096 1 158 . 1 1 48 48 TYR CA C 13 56.256 0.484 . 1 . . . . 46 TYR CA . 10096 1 159 . 1 1 48 48 TYR CB C 13 39.512 0.484 . 1 . . . . 46 TYR CB . 10096 1 160 . 1 1 48 48 TYR N N 15 126.787 0.125 . 1 . . . . 46 TYR N . 10096 1 161 . 1 1 49 49 ALA H H 1 9.267 0.004 . 1 . . . . 47 ALA H . 10096 1 162 . 1 1 49 49 ALA C C 13 176.861 0.344 . 1 . . . . 47 ALA C . 10096 1 163 . 1 1 49 49 ALA CA C 13 51.149 0.484 . 1 . . . . 47 ALA CA . 10096 1 164 . 1 1 49 49 ALA CB C 13 22.327 0.484 . 1 . . . . 47 ALA CB . 10096 1 165 . 1 1 49 49 ALA N N 15 125.989 0.125 . 1 . . . . 47 ALA N . 10096 1 166 . 1 1 50 50 ARG H H 1 8.652 0.004 . 1 . . . . 48 ARG H . 10096 1 167 . 1 1 50 50 ARG C C 13 176.046 0.344 . 1 . . . . 48 ARG C . 10096 1 168 . 1 1 50 50 ARG CA C 13 54.510 0.484 . 1 . . . . 48 ARG CA . 10096 1 169 . 1 1 50 50 ARG CB C 13 29.251 0.484 . 1 . . . . 48 ARG CB . 10096 1 170 . 1 1 50 50 ARG N N 15 121.485 0.125 . 1 . . . . 48 ARG N . 10096 1 171 . 1 1 51 51 PHE H H 1 8.936 0.004 . 1 . . . . 49 PHE H . 10096 1 172 . 1 1 51 51 PHE C C 13 172.843 0.344 . 1 . . . . 49 PHE C . 10096 1 173 . 1 1 51 51 PHE CA C 13 54.371 0.484 . 1 . . . . 49 PHE CA . 10096 1 174 . 1 1 51 51 PHE CB C 13 44.009 0.484 . 1 . . . . 49 PHE CB . 10096 1 175 . 1 1 51 51 PHE N N 15 120.666 0.125 . 1 . . . . 49 PHE N . 10096 1 176 . 1 1 52 52 PHE H H 1 8.844 0.004 . 1 . . . . 50 PHE H . 10096 1 177 . 1 1 52 52 PHE C C 13 172.899 0.344 . 1 . . . . 50 PHE C . 10096 1 178 . 1 1 52 52 PHE CA C 13 56.275 0.484 . 1 . . . . 50 PHE CA . 10096 1 179 . 1 1 52 52 PHE CB C 13 41.643 0.484 . 1 . . . . 50 PHE CB . 10096 1 180 . 1 1 52 52 PHE N N 15 124.277 0.125 . 1 . . . . 50 PHE N . 10096 1 181 . 1 1 53 53 TRP H H 1 8.698 0.004 . 1 . . . . 51 TRP H . 10096 1 182 . 1 1 53 53 TRP C C 13 174.114 0.344 . 1 . . . . 51 TRP C . 10096 1 183 . 1 1 53 53 TRP CA C 13 55.766 0.484 . 1 . . . . 51 TRP CA . 10096 1 184 . 1 1 53 53 TRP CB C 13 31.622 0.484 . 1 . . . . 51 TRP CB . 10096 1 185 . 1 1 53 53 TRP N N 15 130.321 0.125 . 1 . . . . 51 TRP N . 10096 1 186 . 1 1 54 54 GLN H H 1 8.343 0.004 . 1 . . . . 52 GLN H . 10096 1 187 . 1 1 54 54 GLN C C 13 173.753 0.344 . 1 . . . . 52 GLN C . 10096 1 188 . 1 1 54 54 GLN CA C 13 53.898 0.484 . 1 . . . . 52 GLN CA . 10096 1 189 . 1 1 54 54 GLN CB C 13 31.714 0.484 . 1 . . . . 52 GLN CB . 10096 1 190 . 1 1 54 54 GLN N N 15 127.394 0.125 . 1 . . . . 52 GLN N . 10096 1 191 . 1 1 55 55 GLN H H 1 9.478 0.004 . 1 . . . . 53 GLN H . 10096 1 192 . 1 1 55 55 GLN C C 13 174.796 0.344 . 1 . . . . 53 GLN C . 10096 1 193 . 1 1 55 55 GLN CA C 13 55.040 0.484 . 1 . . . . 53 GLN CA . 10096 1 194 . 1 1 55 55 GLN CB C 13 31.852 0.484 . 1 . . . . 53 GLN CB . 10096 1 195 . 1 1 55 55 GLN N N 15 129.477 0.125 . 1 . . . . 53 GLN N . 10096 1 196 . 1 1 56 56 THR H H 1 8.786 0.004 . 1 . . . . 54 THR H . 10096 1 197 . 1 1 56 56 THR C C 13 174.539 0.344 . 1 . . . . 54 THR C . 10096 1 198 . 1 1 56 56 THR CA C 13 61.357 0.484 . 1 . . . . 54 THR CA . 10096 1 199 . 1 1 56 56 THR CB C 13 70.293 0.484 . 1 . . . . 54 THR CB . 10096 1 200 . 1 1 56 56 THR N N 15 124.115 0.125 . 1 . . . . 54 THR N . 10096 1 201 . 1 1 57 57 GLY H H 1 8.675 0.004 . 1 . . . . 55 GLY H . 10096 1 202 . 1 1 57 57 GLY C C 13 172.769 0.344 . 1 . . . . 55 GLY C . 10096 1 203 . 1 1 57 57 GLY CA C 13 45.503 0.484 . 1 . . . . 55 GLY CA . 10096 1 204 . 1 1 57 57 GLY N N 15 115.373 0.125 . 1 . . . . 55 GLY N . 10096 1 205 . 1 1 58 58 GLN H H 1 8.544 0.004 . 1 . . . . 56 GLN H . 10096 1 206 . 1 1 58 58 GLN C C 13 177.756 0.344 . 1 . . . . 56 GLN C . 10096 1 207 . 1 1 58 58 GLN CA C 13 56.062 0.484 . 1 . . . . 56 GLN CA . 10096 1 208 . 1 1 58 58 GLN CB C 13 29.257 0.484 . 1 . . . . 56 GLN CB . 10096 1 209 . 1 1 58 58 GLN N N 15 117.825 0.125 . 1 . . . . 56 GLN N . 10096 1 210 . 1 1 59 59 ASP H H 1 8.171 0.004 . 1 . . . . 57 ASP H . 10096 1 211 . 1 1 59 59 ASP C C 13 174.999 0.344 . 1 . . . . 57 ASP C . 10096 1 212 . 1 1 59 59 ASP CA C 13 54.325 0.484 . 1 . . . . 57 ASP CA . 10096 1 213 . 1 1 59 59 ASP CB C 13 42.279 0.484 . 1 . . . . 57 ASP CB . 10096 1 214 . 1 1 59 59 ASP N N 15 115.763 0.125 . 1 . . . . 57 ASP N . 10096 1 215 . 1 1 60 60 ARG H H 1 7.112 0.004 . 1 . . . . 58 ARG H . 10096 1 216 . 1 1 60 60 ARG C C 13 174.314 0.344 . 1 . . . . 58 ARG C . 10096 1 217 . 1 1 60 60 ARG CA C 13 54.564 0.484 . 1 . . . . 58 ARG CA . 10096 1 218 . 1 1 60 60 ARG CB C 13 31.645 0.484 . 1 . . . . 58 ARG CB . 10096 1 219 . 1 1 60 60 ARG N N 15 119.527 0.125 . 1 . . . . 58 ARG N . 10096 1 220 . 1 1 61 61 TYR H H 1 8.012 0.004 . 1 . . . . 59 TYR H . 10096 1 221 . 1 1 61 61 TYR C C 13 171.789 0.344 . 1 . . . . 59 TYR C . 10096 1 222 . 1 1 61 61 TYR CA C 13 55.829 0.484 . 1 . . . . 59 TYR CA . 10096 1 223 . 1 1 61 61 TYR CB C 13 39.529 0.484 . 1 . . . . 59 TYR CB . 10096 1 224 . 1 1 61 61 TYR N N 15 119.871 0.125 . 1 . . . . 59 TYR N . 10096 1 225 . 1 1 62 62 ARG H H 1 8.541 0.004 . 1 . . . . 60 ARG H . 10096 1 226 . 1 1 62 62 ARG C C 13 173.088 0.344 . 1 . . . . 60 ARG C . 10096 1 227 . 1 1 62 62 ARG CA C 13 53.636 0.484 . 1 . . . . 60 ARG CA . 10096 1 228 . 1 1 62 62 ARG CB C 13 33.454 0.484 . 1 . . . . 60 ARG CB . 10096 1 229 . 1 1 62 62 ARG N N 15 122.376 0.125 . 1 . . . . 60 ARG N . 10096 1 230 . 1 1 63 63 LEU H H 1 8.780 0.004 . 1 . . . . 61 LEU H . 10096 1 231 . 1 1 63 63 LEU C C 13 173.773 0.344 . 1 . . . . 61 LEU C . 10096 1 232 . 1 1 63 63 LEU CA C 13 52.607 0.484 . 1 . . . . 61 LEU CA . 10096 1 233 . 1 1 63 63 LEU CB C 13 44.491 0.484 . 1 . . . . 61 LEU CB . 10096 1 234 . 1 1 63 63 LEU N N 15 126.573 0.125 . 1 . . . . 61 LEU N . 10096 1 235 . 1 1 64 64 LEU H H 1 9.121 0.004 . 1 . . . . 62 LEU H . 10096 1 236 . 1 1 64 64 LEU C C 13 176.041 0.344 . 1 . . . . 62 LEU C . 10096 1 237 . 1 1 64 64 LEU CA C 13 53.568 0.484 . 1 . . . . 62 LEU CA . 10096 1 238 . 1 1 64 64 LEU CB C 13 45.390 0.484 . 1 . . . . 62 LEU CB . 10096 1 239 . 1 1 64 64 LEU N N 15 128.983 0.125 . 1 . . . . 62 LEU N . 10096 1 240 . 1 1 65 65 LEU H H 1 9.099 0.004 . 1 . . . . 63 LEU H . 10096 1 241 . 1 1 65 65 LEU C C 13 176.853 0.344 . 1 . . . . 63 LEU C . 10096 1 242 . 1 1 65 65 LEU CA C 13 53.083 0.484 . 1 . . . . 63 LEU CA . 10096 1 243 . 1 1 65 65 LEU CB C 13 43.302 0.484 . 1 . . . . 63 LEU CB . 10096 1 244 . 1 1 65 65 LEU N N 15 125.452 0.125 . 1 . . . . 63 LEU N . 10096 1 245 . 1 1 66 66 THR H H 1 9.273 0.004 . 1 . . . . 64 THR H . 10096 1 246 . 1 1 66 66 THR C C 13 173.790 0.344 . 1 . . . . 64 THR C . 10096 1 247 . 1 1 66 66 THR CA C 13 59.925 0.484 . 1 . . . . 64 THR CA . 10096 1 248 . 1 1 66 66 THR CB C 13 71.275 0.484 . 1 . . . . 64 THR CB . 10096 1 249 . 1 1 66 66 THR N N 15 117.701 0.125 . 1 . . . . 64 THR N . 10096 1 250 . 1 1 67 67 ASN H H 1 8.628 0.004 . 1 . . . . 65 ASN H . 10096 1 251 . 1 1 67 67 ASN CA C 13 51.651 0.484 . 1 . . . . 65 ASN CA . 10096 1 252 . 1 1 67 67 ASN CB C 13 37.658 0.484 . 1 . . . . 65 ASN CB . 10096 1 253 . 1 1 67 67 ASN N N 15 123.280 0.125 . 1 . . . . 65 ASN N . 10096 1 254 . 1 1 68 68 PRO C C 13 177.251 0.344 . 1 . . . . 66 PRO C . 10096 1 255 . 1 1 68 68 PRO CA C 13 64.985 0.484 . 1 . . . . 66 PRO CA . 10096 1 256 . 1 1 69 69 LEU H H 1 7.658 0.004 . 1 . . . . 67 LEU H . 10096 1 257 . 1 1 69 69 LEU C C 13 178.152 0.344 . 1 . . . . 67 LEU C . 10096 1 258 . 1 1 69 69 LEU CA C 13 54.779 0.484 . 1 . . . . 67 LEU CA . 10096 1 259 . 1 1 69 69 LEU CB C 13 40.443 0.484 . 1 . . . . 67 LEU CB . 10096 1 260 . 1 1 69 69 LEU N N 15 116.913 0.125 . 1 . . . . 67 LEU N . 10096 1 261 . 1 1 70 70 GLY H H 1 8.276 0.004 . 1 . . . . 68 GLY H . 10096 1 262 . 1 1 70 70 GLY C C 13 174.399 0.344 . 1 . . . . 68 GLY C . 10096 1 263 . 1 1 70 70 GLY CA C 13 44.772 0.484 . 1 . . . . 68 GLY CA . 10096 1 264 . 1 1 70 70 GLY N N 15 108.364 0.125 . 1 . . . . 68 GLY N . 10096 1 265 . 1 1 71 71 SER H H 1 7.729 0.004 . 1 . . . . 69 SER H . 10096 1 266 . 1 1 71 71 SER CA C 13 57.288 0.484 . 1 . . . . 69 SER CA . 10096 1 267 . 1 1 71 71 SER CB C 13 63.534 0.484 . 1 . . . . 69 SER CB . 10096 1 268 . 1 1 71 71 SER N N 15 117.812 0.125 . 1 . . . . 69 SER N . 10096 1 269 . 1 1 74 74 LEU C C 13 174.289 0.344 . 1 . . . . 72 LEU C . 10096 1 270 . 1 1 74 74 LEU CA C 13 54.676 0.484 . 1 . . . . 72 LEU CA . 10096 1 271 . 1 1 74 74 LEU CB C 13 44.563 0.484 . 1 . . . . 72 LEU CB . 10096 1 272 . 1 1 75 75 GLU H H 1 8.747 0.004 . 1 . . . . 73 GLU H . 10096 1 273 . 1 1 75 75 GLU C C 13 173.790 0.344 . 1 . . . . 73 GLU C . 10096 1 274 . 1 1 75 75 GLU CA C 13 54.895 0.484 . 1 . . . . 73 GLU CA . 10096 1 275 . 1 1 75 75 GLU CB C 13 31.846 0.484 . 1 . . . . 73 GLU CB . 10096 1 276 . 1 1 75 75 GLU N N 15 126.040 0.125 . 1 . . . . 73 GLU N . 10096 1 277 . 1 1 76 76 LEU H H 1 9.344 0.004 . 1 . . . . 74 LEU H . 10096 1 278 . 1 1 76 76 LEU C C 13 174.143 0.344 . 1 . . . . 74 LEU C . 10096 1 279 . 1 1 76 76 LEU CA C 13 53.574 0.484 . 1 . . . . 74 LEU CA . 10096 1 280 . 1 1 76 76 LEU CB C 13 45.127 0.484 . 1 . . . . 74 LEU CB . 10096 1 281 . 1 1 76 76 LEU N N 15 131.102 0.125 . 1 . . . . 74 LEU N . 10096 1 282 . 1 1 77 77 ASN H H 1 9.057 0.004 . 1 . . . . 75 ASN H . 10096 1 283 . 1 1 77 77 ASN C C 13 172.915 0.344 . 1 . . . . 75 ASN C . 10096 1 284 . 1 1 77 77 ASN CA C 13 52.638 0.484 . 1 . . . . 75 ASN CA . 10096 1 285 . 1 1 77 77 ASN CB C 13 41.107 0.484 . 1 . . . . 75 ASN CB . 10096 1 286 . 1 1 77 77 ASN N N 15 125.722 0.125 . 1 . . . . 75 ASN N . 10096 1 287 . 1 1 78 78 ALA H H 1 8.926 0.004 . 1 . . . . 76 ALA H . 10096 1 288 . 1 1 78 78 ALA C C 13 174.814 0.344 . 1 . . . . 76 ALA C . 10096 1 289 . 1 1 78 78 ALA CA C 13 51.314 0.484 . 1 . . . . 76 ALA CA . 10096 1 290 . 1 1 78 78 ALA CB C 13 20.395 0.484 . 1 . . . . 76 ALA CB . 10096 1 291 . 1 1 78 78 ALA N N 15 129.617 0.125 . 1 . . . . 76 ALA N . 10096 1 292 . 1 1 79 79 GLN H H 1 7.957 0.004 . 1 . . . . 77 GLN H . 10096 1 293 . 1 1 79 79 GLN CA C 13 52.944 0.484 . 1 . . . . 77 GLN CA . 10096 1 294 . 1 1 79 79 GLN CB C 13 29.320 0.484 . 1 . . . . 77 GLN CB . 10096 1 295 . 1 1 79 79 GLN N N 15 120.722 0.125 . 1 . . . . 77 GLN N . 10096 1 296 . 1 1 80 80 PRO C C 13 178.181 0.344 . 1 . . . . 78 PRO C . 10096 1 297 . 1 1 80 80 PRO CA C 13 64.708 0.484 . 1 . . . . 78 PRO CA . 10096 1 298 . 1 1 81 81 GLY H H 1 8.812 0.004 . 1 . . . . 79 GLY H . 10096 1 299 . 1 1 81 81 GLY C C 13 174.122 0.344 . 1 . . . . 79 GLY C . 10096 1 300 . 1 1 81 81 GLY CA C 13 45.920 0.484 . 1 . . . . 79 GLY CA . 10096 1 301 . 1 1 81 81 GLY N N 15 115.565 0.125 . 1 . . . . 79 GLY N . 10096 1 302 . 1 1 82 82 ASN H H 1 7.908 0.004 . 1 . . . . 80 ASN H . 10096 1 303 . 1 1 82 82 ASN C C 13 171.887 0.344 . 1 . . . . 80 ASN C . 10096 1 304 . 1 1 82 82 ASN CA C 13 54.437 0.484 . 1 . . . . 80 ASN CA . 10096 1 305 . 1 1 82 82 ASN CB C 13 40.448 0.484 . 1 . . . . 80 ASN CB . 10096 1 306 . 1 1 82 82 ASN N N 15 119.335 0.125 . 1 . . . . 80 ASN N . 10096 1 307 . 1 1 83 83 VAL H H 1 8.604 0.004 . 1 . . . . 81 VAL H . 10096 1 308 . 1 1 83 83 VAL C C 13 173.793 0.344 . 1 . . . . 81 VAL C . 10096 1 309 . 1 1 83 83 VAL CA C 13 60.382 0.484 . 1 . . . . 81 VAL CA . 10096 1 310 . 1 1 83 83 VAL CB C 13 32.287 0.484 . 1 . . . . 81 VAL CB . 10096 1 311 . 1 1 83 83 VAL N N 15 126.949 0.125 . 1 . . . . 81 VAL N . 10096 1 312 . 1 1 84 84 GLN H H 1 8.523 0.004 . 1 . . . . 82 GLN H . 10096 1 313 . 1 1 84 84 GLN C C 13 174.348 0.344 . 1 . . . . 82 GLN C . 10096 1 314 . 1 1 84 84 GLN CA C 13 53.691 0.484 . 1 . . . . 82 GLN CA . 10096 1 315 . 1 1 84 84 GLN CB C 13 31.925 0.484 . 1 . . . . 82 GLN CB . 10096 1 316 . 1 1 84 84 GLN N N 15 125.484 0.125 . 1 . . . . 82 GLN N . 10096 1 317 . 1 1 85 85 LEU H H 1 9.019 0.004 . 1 . . . . 83 LEU H . 10096 1 318 . 1 1 85 85 LEU C C 13 174.621 0.344 . 1 . . . . 83 LEU C . 10096 1 319 . 1 1 85 85 LEU CA C 13 53.878 0.484 . 1 . . . . 83 LEU CA . 10096 1 320 . 1 1 85 85 LEU CB C 13 45.539 0.484 . 1 . . . . 83 LEU CB . 10096 1 321 . 1 1 85 85 LEU N N 15 127.628 0.125 . 1 . . . . 83 LEU N . 10096 1 322 . 1 1 86 86 VAL H H 1 9.207 0.004 . 1 . . . . 84 VAL H . 10096 1 323 . 1 1 86 86 VAL C C 13 175.889 0.344 . 1 . . . . 84 VAL C . 10096 1 324 . 1 1 86 86 VAL CA C 13 60.556 0.484 . 1 . . . . 84 VAL CA . 10096 1 325 . 1 1 86 86 VAL CB C 13 33.349 0.484 . 1 . . . . 84 VAL CB . 10096 1 326 . 1 1 86 86 VAL N N 15 127.282 0.125 . 1 . . . . 84 VAL N . 10096 1 327 . 1 1 87 87 ASP H H 1 8.350 0.004 . 1 . . . . 85 ASP H . 10096 1 328 . 1 1 87 87 ASP C C 13 177.759 0.344 . 1 . . . . 85 ASP C . 10096 1 329 . 1 1 87 87 ASP CA C 13 52.106 0.484 . 1 . . . . 85 ASP CA . 10096 1 330 . 1 1 87 87 ASP CB C 13 42.270 0.484 . 1 . . . . 85 ASP CB . 10096 1 331 . 1 1 87 87 ASP N N 15 126.996 0.125 . 1 . . . . 85 ASP N . 10096 1 332 . 1 1 88 88 ASN H H 1 8.285 0.004 . 1 . . . . 86 ASN H . 10096 1 333 . 1 1 88 88 ASN C C 13 176.696 0.344 . 1 . . . . 86 ASN C . 10096 1 334 . 1 1 88 88 ASN CA C 13 54.593 0.484 . 1 . . . . 86 ASN CA . 10096 1 335 . 1 1 88 88 ASN CB C 13 36.959 0.484 . 1 . . . . 86 ASN CB . 10096 1 336 . 1 1 88 88 ASN N N 15 116.615 0.125 . 1 . . . . 86 ASN N . 10096 1 337 . 1 1 89 89 LYS H H 1 8.140 0.004 . 1 . . . . 87 LYS H . 10096 1 338 . 1 1 89 89 LYS C C 13 177.380 0.344 . 1 . . . . 87 LYS C . 10096 1 339 . 1 1 89 89 LYS CA C 13 54.839 0.484 . 1 . . . . 87 LYS CA . 10096 1 340 . 1 1 89 89 LYS CB C 13 31.910 0.484 . 1 . . . . 87 LYS CB . 10096 1 341 . 1 1 89 89 LYS N N 15 120.993 0.125 . 1 . . . . 87 LYS N . 10096 1 342 . 1 1 90 90 GLY H H 1 8.058 0.004 . 1 . . . . 88 GLY H . 10096 1 343 . 1 1 90 90 GLY C C 13 174.519 0.344 . 1 . . . . 88 GLY C . 10096 1 344 . 1 1 90 90 GLY CA C 13 45.203 0.484 . 1 . . . . 88 GLY CA . 10096 1 345 . 1 1 90 90 GLY N N 15 110.384 0.125 . 1 . . . . 88 GLY N . 10096 1 346 . 1 1 91 91 GLN H H 1 8.482 0.004 . 1 . . . . 89 GLN H . 10096 1 347 . 1 1 91 91 GLN C C 13 173.617 0.344 . 1 . . . . 89 GLN C . 10096 1 348 . 1 1 91 91 GLN CA C 13 55.397 0.484 . 1 . . . . 89 GLN CA . 10096 1 349 . 1 1 91 91 GLN CB C 13 28.109 0.484 . 1 . . . . 89 GLN CB . 10096 1 350 . 1 1 91 91 GLN N N 15 124.108 0.125 . 1 . . . . 89 GLN N . 10096 1 351 . 1 1 92 92 ARG H H 1 7.773 0.004 . 1 . . . . 90 ARG H . 10096 1 352 . 1 1 92 92 ARG C C 13 175.808 0.344 . 1 . . . . 90 ARG C . 10096 1 353 . 1 1 92 92 ARG CA C 13 54.591 0.484 . 1 . . . . 90 ARG CA . 10096 1 354 . 1 1 92 92 ARG CB C 13 31.780 0.484 . 1 . . . . 90 ARG CB . 10096 1 355 . 1 1 92 92 ARG N N 15 122.991 0.125 . 1 . . . . 90 ARG N . 10096 1 356 . 1 1 93 93 TYR H H 1 9.246 0.004 . 1 . . . . 91 TYR H . 10096 1 357 . 1 1 93 93 TYR C C 13 175.237 0.344 . 1 . . . . 91 TYR C . 10096 1 358 . 1 1 93 93 TYR CA C 13 56.355 0.484 . 1 . . . . 91 TYR CA . 10096 1 359 . 1 1 93 93 TYR CB C 13 41.509 0.484 . 1 . . . . 91 TYR CB . 10096 1 360 . 1 1 93 93 TYR N N 15 124.773 0.125 . 1 . . . . 91 TYR N . 10096 1 361 . 1 1 94 94 THR H H 1 8.474 0.004 . 1 . . . . 92 THR H . 10096 1 362 . 1 1 94 94 THR C C 13 173.447 0.344 . 1 . . . . 92 THR C . 10096 1 363 . 1 1 94 94 THR CA C 13 60.633 0.484 . 1 . . . . 92 THR CA . 10096 1 364 . 1 1 94 94 THR CB C 13 71.064 0.484 . 1 . . . . 92 THR CB . 10096 1 365 . 1 1 94 94 THR N N 15 117.265 0.125 . 1 . . . . 92 THR N . 10096 1 366 . 1 1 95 95 ALA H H 1 8.673 0.004 . 1 . . . . 93 ALA H . 10096 1 367 . 1 1 95 95 ALA C C 13 175.519 0.344 . 1 . . . . 93 ALA C . 10096 1 368 . 1 1 95 95 ALA CA C 13 51.727 0.484 . 1 . . . . 93 ALA CA . 10096 1 369 . 1 1 95 95 ALA CB C 13 20.122 0.484 . 1 . . . . 93 ALA CB . 10096 1 370 . 1 1 95 95 ALA N N 15 127.845 0.125 . 1 . . . . 93 ALA N . 10096 1 371 . 1 1 96 96 ASP H H 1 8.130 0.004 . 1 . . . . 94 ASP H . 10096 1 372 . 1 1 96 96 ASP C C 13 175.672 0.344 . 1 . . . . 94 ASP C . 10096 1 373 . 1 1 96 96 ASP CA C 13 54.603 0.484 . 1 . . . . 94 ASP CA . 10096 1 374 . 1 1 96 96 ASP CB C 13 41.195 0.484 . 1 . . . . 94 ASP CB . 10096 1 375 . 1 1 96 96 ASP N N 15 117.583 0.125 . 1 . . . . 94 ASP N . 10096 1 376 . 1 1 97 97 ASP H H 1 7.399 0.004 . 1 . . . . 95 ASP H . 10096 1 377 . 1 1 97 97 ASP C C 13 175.827 0.344 . 1 . . . . 95 ASP C . 10096 1 378 . 1 1 97 97 ASP CA C 13 52.944 0.484 . 1 . . . . 95 ASP CA . 10096 1 379 . 1 1 97 97 ASP CB C 13 43.189 0.484 . 1 . . . . 95 ASP CB . 10096 1 380 . 1 1 97 97 ASP N N 15 119.452 0.125 . 1 . . . . 95 ASP N . 10096 1 381 . 1 1 98 98 ALA H H 1 9.086 0.004 . 1 . . . . 96 ALA H . 10096 1 382 . 1 1 98 98 ALA C C 13 178.770 0.344 . 1 . . . . 96 ALA C . 10096 1 383 . 1 1 98 98 ALA CA C 13 55.215 0.484 . 1 . . . . 96 ALA CA . 10096 1 384 . 1 1 98 98 ALA CB C 13 19.623 0.484 . 1 . . . . 96 ALA CB . 10096 1 385 . 1 1 98 98 ALA N N 15 129.245 0.125 . 1 . . . . 96 ALA N . 10096 1 386 . 1 1 99 99 GLU H H 1 7.979 0.004 . 1 . . . . 97 GLU H . 10096 1 387 . 1 1 99 99 GLU C C 13 179.608 0.344 . 1 . . . . 97 GLU C . 10096 1 388 . 1 1 99 99 GLU CA C 13 59.709 0.484 . 1 . . . . 97 GLU CA . 10096 1 389 . 1 1 99 99 GLU CB C 13 28.675 0.484 . 1 . . . . 97 GLU CB . 10096 1 390 . 1 1 99 99 GLU N N 15 117.528 0.125 . 1 . . . . 97 GLU N . 10096 1 391 . 1 1 100 100 GLU H H 1 8.211 0.004 . 1 . . . . 98 GLU H . 10096 1 392 . 1 1 100 100 GLU C C 13 179.238 0.344 . 1 . . . . 98 GLU C . 10096 1 393 . 1 1 100 100 GLU CA C 13 58.475 0.484 . 1 . . . . 98 GLU CA . 10096 1 394 . 1 1 100 100 GLU CB C 13 28.816 0.484 . 1 . . . . 98 GLU CB . 10096 1 395 . 1 1 100 100 GLU N N 15 123.006 0.125 . 1 . . . . 98 GLU N . 10096 1 396 . 1 1 101 101 MET H H 1 7.655 0.004 . 1 . . . . 99 MET H . 10096 1 397 . 1 1 101 101 MET C C 13 178.048 0.344 . 1 . . . . 99 MET C . 10096 1 398 . 1 1 101 101 MET CA C 13 58.163 0.484 . 1 . . . . 99 MET CA . 10096 1 399 . 1 1 101 101 MET CB C 13 32.883 0.484 . 1 . . . . 99 MET CB . 10096 1 400 . 1 1 101 101 MET N N 15 117.300 0.125 . 1 . . . . 99 MET N . 10096 1 401 . 1 1 102 102 ILE H H 1 8.262 0.004 . 1 . . . . 100 ILE H . 10096 1 402 . 1 1 102 102 ILE C C 13 178.927 0.344 . 1 . . . . 100 ILE C . 10096 1 403 . 1 1 102 102 ILE CA C 13 64.623 0.484 . 1 . . . . 100 ILE CA . 10096 1 404 . 1 1 102 102 ILE N N 15 119.590 0.125 . 1 . . . . 100 ILE N . 10096 1 405 . 1 1 103 103 GLY H H 1 7.589 0.004 . 1 . . . . 101 GLY H . 10096 1 406 . 1 1 103 103 GLY C C 13 175.979 0.344 . 1 . . . . 101 GLY C . 10096 1 407 . 1 1 103 103 GLY CA C 13 46.957 0.484 . 1 . . . . 101 GLY CA . 10096 1 408 . 1 1 103 103 GLY N N 15 112.895 0.125 . 1 . . . . 101 GLY N . 10096 1 409 . 1 1 104 104 LYS H H 1 7.691 0.004 . 1 . . . . 102 LYS H . 10096 1 410 . 1 1 104 104 LYS C C 13 177.401 0.344 . 1 . . . . 102 LYS C . 10096 1 411 . 1 1 104 104 LYS CA C 13 58.573 0.484 . 1 . . . . 102 LYS CA . 10096 1 412 . 1 1 104 104 LYS CB C 13 32.079 0.484 . 1 . . . . 102 LYS CB . 10096 1 413 . 1 1 104 104 LYS N N 15 122.659 0.125 . 1 . . . . 102 LYS N . 10096 1 414 . 1 1 105 105 LEU H H 1 7.956 0.004 . 1 . . . . 103 LEU H . 10096 1 415 . 1 1 105 105 LEU C C 13 178.612 0.344 . 1 . . . . 103 LEU C . 10096 1 416 . 1 1 105 105 LEU CA C 13 56.365 0.484 . 1 . . . . 103 LEU CA . 10096 1 417 . 1 1 105 105 LEU CB C 13 41.524 0.484 . 1 . . . . 103 LEU CB . 10096 1 418 . 1 1 105 105 LEU N N 15 116.298 0.125 . 1 . . . . 103 LEU N . 10096 1 419 . 1 1 106 106 THR H H 1 7.374 0.004 . 1 . . . . 104 THR H . 10096 1 420 . 1 1 106 106 THR C C 13 175.683 0.344 . 1 . . . . 104 THR C . 10096 1 421 . 1 1 106 106 THR CA C 13 61.354 0.484 . 1 . . . . 104 THR CA . 10096 1 422 . 1 1 106 106 THR CB C 13 71.885 0.484 . 1 . . . . 104 THR CB . 10096 1 423 . 1 1 106 106 THR N N 15 105.831 0.125 . 1 . . . . 104 THR N . 10096 1 424 . 1 1 107 107 GLY H H 1 7.414 0.004 . 1 . . . . 105 GLY H . 10096 1 425 . 1 1 107 107 GLY C C 13 172.851 0.344 . 1 . . . . 105 GLY C . 10096 1 426 . 1 1 107 107 GLY CA C 13 45.549 0.484 . 1 . . . . 105 GLY CA . 10096 1 427 . 1 1 107 107 GLY N N 15 111.313 0.125 . 1 . . . . 105 GLY N . 10096 1 428 . 1 1 108 108 MET H H 1 7.528 0.004 . 1 . . . . 106 MET H . 10096 1 429 . 1 1 108 108 MET CA C 13 52.100 0.484 . 1 . . . . 106 MET CA . 10096 1 430 . 1 1 108 108 MET CB C 13 34.258 0.484 . 1 . . . . 106 MET CB . 10096 1 431 . 1 1 108 108 MET N N 15 119.483 0.125 . 1 . . . . 106 MET N . 10096 1 432 . 1 1 109 109 PRO C C 13 175.707 0.344 . 1 . . . . 107 PRO C . 10096 1 433 . 1 1 109 109 PRO CA C 13 61.291 0.484 . 1 . . . . 107 PRO CA . 10096 1 434 . 1 1 109 109 PRO CB C 13 27.189 0.484 . 1 . . . . 107 PRO CB . 10096 1 435 . 1 1 110 110 ILE H H 1 7.856 0.004 . 1 . . . . 108 ILE H . 10096 1 436 . 1 1 110 110 ILE CA C 13 58.667 0.484 . 1 . . . . 108 ILE CA . 10096 1 437 . 1 1 110 110 ILE CB C 13 38.532 0.484 . 1 . . . . 108 ILE CB . 10096 1 438 . 1 1 110 110 ILE N N 15 123.424 0.125 . 1 . . . . 108 ILE N . 10096 1 439 . 1 1 111 111 PRO C C 13 176.396 0.344 . 1 . . . . 109 PRO C . 10096 1 440 . 1 1 111 111 PRO CA C 13 61.594 0.484 . 1 . . . . 109 PRO CA . 10096 1 441 . 1 1 112 112 LEU H H 1 8.311 0.004 . 1 . . . . 110 LEU H . 10096 1 442 . 1 1 112 112 LEU C C 13 176.486 0.344 . 1 . . . . 110 LEU C . 10096 1 443 . 1 1 112 112 LEU CA C 13 58.023 0.484 . 1 . . . . 110 LEU CA . 10096 1 444 . 1 1 112 112 LEU CB C 13 42.270 0.484 . 1 . . . . 110 LEU CB . 10096 1 445 . 1 1 112 112 LEU N N 15 126.375 0.125 . 1 . . . . 110 LEU N . 10096 1 446 . 1 1 113 113 ASN H H 1 9.508 0.004 . 1 . . . . 111 ASN H . 10096 1 447 . 1 1 113 113 ASN C C 13 177.862 0.344 . 1 . . . . 111 ASN C . 10096 1 448 . 1 1 113 113 ASN CA C 13 55.640 0.484 . 1 . . . . 111 ASN CA . 10096 1 449 . 1 1 113 113 ASN CB C 13 36.786 0.484 . 1 . . . . 111 ASN CB . 10096 1 450 . 1 1 113 113 ASN N N 15 116.118 0.125 . 1 . . . . 111 ASN N . 10096 1 451 . 1 1 114 114 SER H H 1 6.922 0.004 . 1 . . . . 112 SER H . 10096 1 452 . 1 1 114 114 SER C C 13 175.176 0.344 . 1 . . . . 112 SER C . 10096 1 453 . 1 1 114 114 SER CA C 13 60.213 0.484 . 1 . . . . 112 SER CA . 10096 1 454 . 1 1 114 114 SER CB C 13 60.878 0.484 . 1 . . . . 112 SER CB . 10096 1 455 . 1 1 114 114 SER N N 15 115.250 0.125 . 1 . . . . 112 SER N . 10096 1 456 . 1 1 115 115 LEU H H 1 8.032 0.004 . 1 . . . . 113 LEU H . 10096 1 457 . 1 1 115 115 LEU C C 13 175.257 0.344 . 1 . . . . 113 LEU C . 10096 1 458 . 1 1 115 115 LEU CA C 13 57.245 0.484 . 1 . . . . 113 LEU CA . 10096 1 459 . 1 1 115 115 LEU CB C 13 41.645 0.484 . 1 . . . . 113 LEU CB . 10096 1 460 . 1 1 115 115 LEU N N 15 125.207 0.125 . 1 . . . . 113 LEU N . 10096 1 461 . 1 1 116 116 ARG H H 1 6.959 0.004 . 1 . . . . 114 ARG H . 10096 1 462 . 1 1 116 116 ARG C C 13 174.989 0.344 . 1 . . . . 114 ARG C . 10096 1 463 . 1 1 116 116 ARG CA C 13 57.617 0.484 . 1 . . . . 114 ARG CA . 10096 1 464 . 1 1 116 116 ARG CB C 13 27.756 0.484 . 1 . . . . 114 ARG CB . 10096 1 465 . 1 1 116 116 ARG N N 15 113.423 0.125 . 1 . . . . 114 ARG N . 10096 1 466 . 1 1 117 117 GLN H H 1 6.705 0.004 . 1 . . . . 115 GLN H . 10096 1 467 . 1 1 117 117 GLN C C 13 177.166 0.344 . 1 . . . . 115 GLN C . 10096 1 468 . 1 1 117 117 GLN CA C 13 57.446 0.484 . 1 . . . . 115 GLN CA . 10096 1 469 . 1 1 117 117 GLN CB C 13 27.824 0.484 . 1 . . . . 115 GLN CB . 10096 1 470 . 1 1 117 117 GLN N N 15 115.977 0.125 . 1 . . . . 115 GLN N . 10096 1 471 . 1 1 118 118 TRP H H 1 8.021 0.004 . 1 . . . . 116 TRP H . 10096 1 472 . 1 1 118 118 TRP C C 13 181.887 0.344 . 1 . . . . 116 TRP C . 10096 1 473 . 1 1 118 118 TRP CA C 13 57.024 0.484 . 1 . . . . 116 TRP CA . 10096 1 474 . 1 1 118 118 TRP CB C 13 28.744 0.484 . 1 . . . . 116 TRP CB . 10096 1 475 . 1 1 118 118 TRP N N 15 121.243 0.125 . 1 . . . . 116 TRP N . 10096 1 476 . 1 1 119 119 ILE H H 1 9.334 0.004 . 1 . . . . 117 ILE H . 10096 1 477 . 1 1 119 119 ILE C C 13 171.759 0.344 . 1 . . . . 117 ILE C . 10096 1 478 . 1 1 119 119 ILE N N 15 124.240 0.125 . 1 . . . . 117 ILE N . 10096 1 479 . 1 1 120 120 LEU H H 1 6.627 0.004 . 1 . . . . 118 LEU H . 10096 1 480 . 1 1 120 120 LEU C C 13 177.814 0.344 . 1 . . . . 118 LEU C . 10096 1 481 . 1 1 120 120 LEU CA C 13 52.473 0.484 . 1 . . . . 118 LEU CA . 10096 1 482 . 1 1 120 120 LEU CB C 13 40.610 0.484 . 1 . . . . 118 LEU CB . 10096 1 483 . 1 1 120 120 LEU N N 15 113.353 0.125 . 1 . . . . 118 LEU N . 10096 1 484 . 1 1 121 121 GLY H H 1 7.983 0.004 . 1 . . . . 119 GLY H . 10096 1 485 . 1 1 121 121 GLY C C 13 172.914 0.344 . 1 . . . . 119 GLY C . 10096 1 486 . 1 1 121 121 GLY CA C 13 44.208 0.484 . 1 . . . . 119 GLY CA . 10096 1 487 . 1 1 121 121 GLY N N 15 104.447 0.125 . 1 . . . . 119 GLY N . 10096 1 488 . 1 1 122 122 LEU H H 1 7.181 0.004 . 1 . . . . 120 LEU H . 10096 1 489 . 1 1 122 122 LEU CA C 13 50.184 0.484 . 1 . . . . 120 LEU CA . 10096 1 490 . 1 1 122 122 LEU CB C 13 41.517 0.484 . 1 . . . . 120 LEU CB . 10096 1 491 . 1 1 122 122 LEU N N 15 117.971 0.125 . 1 . . . . 120 LEU N . 10096 1 492 . 1 1 123 123 PRO C C 13 178.431 0.344 . 1 . . . . 121 PRO C . 10096 1 493 . 1 1 123 123 PRO CA C 13 63.613 0.484 . 1 . . . . 121 PRO CA . 10096 1 494 . 1 1 123 123 PRO CB C 13 31.030 0.484 . 1 . . . . 121 PRO CB . 10096 1 495 . 1 1 124 124 GLY H H 1 7.902 0.004 . 1 . . . . 122 GLY H . 10096 1 496 . 1 1 124 124 GLY C C 13 174.924 0.344 . 1 . . . . 122 GLY C . 10096 1 497 . 1 1 124 124 GLY CA C 13 46.169 0.484 . 1 . . . . 122 GLY CA . 10096 1 498 . 1 1 124 124 GLY N N 15 111.257 0.125 . 1 . . . . 122 GLY N . 10096 1 499 . 1 1 125 125 ASP H H 1 8.677 0.004 . 1 . . . . 123 ASP H . 10096 1 500 . 1 1 125 125 ASP C C 13 176.017 0.344 . 1 . . . . 123 ASP C . 10096 1 501 . 1 1 125 125 ASP CA C 13 53.889 0.484 . 1 . . . . 123 ASP CA . 10096 1 502 . 1 1 125 125 ASP CB C 13 40.320 0.484 . 1 . . . . 123 ASP CB . 10096 1 503 . 1 1 125 125 ASP N N 15 127.376 0.125 . 1 . . . . 123 ASP N . 10096 1 504 . 1 1 126 126 ALA H H 1 7.679 0.004 . 1 . . . . 124 ALA H . 10096 1 505 . 1 1 126 126 ALA C C 13 177.377 0.344 . 1 . . . . 124 ALA C . 10096 1 506 . 1 1 126 126 ALA CA C 13 53.162 0.484 . 1 . . . . 124 ALA CA . 10096 1 507 . 1 1 126 126 ALA CB C 13 19.811 0.484 . 1 . . . . 124 ALA CB . 10096 1 508 . 1 1 126 126 ALA N N 15 123.299 0.125 . 1 . . . . 124 ALA N . 10096 1 509 . 1 1 127 127 THR H H 1 8.401 0.004 . 1 . . . . 125 THR H . 10096 1 510 . 1 1 127 127 THR C C 13 174.526 0.344 . 1 . . . . 125 THR C . 10096 1 511 . 1 1 127 127 THR CA C 13 61.643 0.484 . 1 . . . . 125 THR CA . 10096 1 512 . 1 1 127 127 THR CB C 13 69.858 0.484 . 1 . . . . 125 THR CB . 10096 1 513 . 1 1 127 127 THR N N 15 112.372 0.125 . 1 . . . . 125 THR N . 10096 1 514 . 1 1 128 128 ASP H H 1 8.511 0.004 . 1 . . . . 126 ASP H . 10096 1 515 . 1 1 128 128 ASP C C 13 173.085 0.344 . 1 . . . . 126 ASP C . 10096 1 516 . 1 1 128 128 ASP CA C 13 52.940 0.484 . 1 . . . . 126 ASP CA . 10096 1 517 . 1 1 128 128 ASP CB C 13 40.326 0.484 . 1 . . . . 126 ASP CB . 10096 1 518 . 1 1 128 128 ASP N N 15 126.693 0.125 . 1 . . . . 126 ASP N . 10096 1 519 . 1 1 129 129 TYR H H 1 7.143 0.004 . 1 . . . . 127 TYR H . 10096 1 520 . 1 1 129 129 TYR C C 13 173.635 0.344 . 1 . . . . 127 TYR C . 10096 1 521 . 1 1 129 129 TYR CA C 13 55.033 0.484 . 1 . . . . 127 TYR CA . 10096 1 522 . 1 1 129 129 TYR CB C 13 40.060 0.484 . 1 . . . . 127 TYR CB . 10096 1 523 . 1 1 129 129 TYR N N 15 118.126 0.125 . 1 . . . . 127 TYR N . 10096 1 524 . 1 1 130 130 LYS H H 1 8.800 0.004 . 1 . . . . 128 LYS H . 10096 1 525 . 1 1 130 130 LYS C C 13 175.197 0.344 . 1 . . . . 128 LYS C . 10096 1 526 . 1 1 130 130 LYS CA C 13 54.048 0.484 . 1 . . . . 128 LYS CA . 10096 1 527 . 1 1 130 130 LYS CB C 13 36.151 0.484 . 1 . . . . 128 LYS CB . 10096 1 528 . 1 1 130 130 LYS N N 15 119.246 0.125 . 1 . . . . 128 LYS N . 10096 1 529 . 1 1 131 131 LEU H H 1 8.451 0.004 . 1 . . . . 129 LEU H . 10096 1 530 . 1 1 131 131 LEU C C 13 177.396 0.344 . 1 . . . . 129 LEU C . 10096 1 531 . 1 1 131 131 LEU CA C 13 52.252 0.484 . 1 . . . . 129 LEU CA . 10096 1 532 . 1 1 131 131 LEU CB C 13 43.416 0.484 . 1 . . . . 129 LEU CB . 10096 1 533 . 1 1 131 131 LEU N N 15 122.608 0.125 . 1 . . . . 129 LEU N . 10096 1 534 . 1 1 132 132 ASP H H 1 8.885 0.004 . 1 . . . . 130 ASP H . 10096 1 535 . 1 1 132 132 ASP C C 13 178.761 0.344 . 1 . . . . 130 ASP C . 10096 1 536 . 1 1 132 132 ASP CA C 13 51.713 0.484 . 1 . . . . 130 ASP CA . 10096 1 537 . 1 1 132 132 ASP CB C 13 40.572 0.484 . 1 . . . . 130 ASP CB . 10096 1 538 . 1 1 132 132 ASP N N 15 121.730 0.125 . 1 . . . . 130 ASP N . 10096 1 539 . 1 1 133 133 ASP H H 1 7.956 0.004 . 1 . . . . 131 ASP H . 10096 1 540 . 1 1 133 133 ASP C C 13 176.023 0.344 . 1 . . . . 131 ASP C . 10096 1 541 . 1 1 133 133 ASP CA C 13 55.659 0.484 . 1 . . . . 131 ASP CA . 10096 1 542 . 1 1 133 133 ASP CB C 13 39.827 0.484 . 1 . . . . 131 ASP CB . 10096 1 543 . 1 1 133 133 ASP N N 15 116.298 0.125 . 1 . . . . 131 ASP N . 10096 1 544 . 1 1 134 134 GLN H H 1 8.063 0.004 . 1 . . . . 132 GLN H . 10096 1 545 . 1 1 134 134 GLN C C 13 174.640 0.344 . 1 . . . . 132 GLN C . 10096 1 546 . 1 1 134 134 GLN CA C 13 54.344 0.484 . 1 . . . . 132 GLN CA . 10096 1 547 . 1 1 134 134 GLN CB C 13 27.468 0.484 . 1 . . . . 132 GLN CB . 10096 1 548 . 1 1 134 134 GLN N N 15 119.348 0.125 . 1 . . . . 132 GLN N . 10096 1 549 . 1 1 135 135 TYR H H 1 7.455 0.004 . 1 . . . . 133 TYR H . 10096 1 550 . 1 1 135 135 TYR CA C 13 60.169 0.484 . 1 . . . . 133 TYR CA . 10096 1 551 . 1 1 135 135 TYR CB C 13 33.763 0.484 . 1 . . . . 133 TYR CB . 10096 1 552 . 1 1 135 135 TYR N N 15 113.751 0.125 . 1 . . . . 133 TYR N . 10096 1 553 . 1 1 136 136 ARG H H 1 7.456 0.004 . 1 . . . . 134 ARG H . 10096 1 554 . 1 1 136 136 ARG C C 13 175.837 0.344 . 1 . . . . 134 ARG C . 10096 1 555 . 1 1 136 136 ARG CA C 13 53.083 0.484 . 1 . . . . 134 ARG CA . 10096 1 556 . 1 1 136 136 ARG CB C 13 30.573 0.484 . 1 . . . . 134 ARG CB . 10096 1 557 . 1 1 136 136 ARG N N 15 114.959 0.125 . 1 . . . . 134 ARG N . 10096 1 558 . 1 1 137 137 LEU H H 1 8.348 0.004 . 1 . . . . 135 LEU H . 10096 1 559 . 1 1 137 137 LEU C C 13 177.468 0.344 . 1 . . . . 135 LEU C . 10096 1 560 . 1 1 137 137 LEU CA C 13 56.421 0.484 . 1 . . . . 135 LEU CA . 10096 1 561 . 1 1 137 137 LEU CB C 13 41.750 0.484 . 1 . . . . 135 LEU CB . 10096 1 562 . 1 1 137 137 LEU N N 15 122.883 0.125 . 1 . . . . 135 LEU N . 10096 1 563 . 1 1 138 138 SER H H 1 8.950 0.004 . 1 . . . . 136 SER H . 10096 1 564 . 1 1 138 138 SER C C 13 175.125 0.344 . 1 . . . . 136 SER C . 10096 1 565 . 1 1 138 138 SER CA C 13 58.657 0.484 . 1 . . . . 136 SER CA . 10096 1 566 . 1 1 138 138 SER CB C 13 64.843 0.484 . 1 . . . . 136 SER CB . 10096 1 567 . 1 1 138 138 SER N N 15 118.187 0.125 . 1 . . . . 136 SER N . 10096 1 568 . 1 1 139 139 GLU H H 1 7.521 0.004 . 1 . . . . 137 GLU H . 10096 1 569 . 1 1 139 139 GLU C C 13 174.305 0.344 . 1 . . . . 137 GLU C . 10096 1 570 . 1 1 139 139 GLU CA C 13 54.869 0.484 . 1 . . . . 137 GLU CA . 10096 1 571 . 1 1 139 139 GLU CB C 13 34.044 0.484 . 1 . . . . 137 GLU CB . 10096 1 572 . 1 1 139 139 GLU N N 15 121.070 0.125 . 1 . . . . 137 GLU N . 10096 1 573 . 1 1 140 140 ILE H H 1 8.994 0.004 . 1 . . . . 138 ILE H . 10096 1 574 . 1 1 140 140 ILE C C 13 175.472 0.344 . 1 . . . . 138 ILE C . 10096 1 575 . 1 1 140 140 ILE CA C 13 60.621 0.484 . 1 . . . . 138 ILE CA . 10096 1 576 . 1 1 140 140 ILE CB C 13 42.208 0.484 . 1 . . . . 138 ILE CB . 10096 1 577 . 1 1 140 140 ILE N N 15 122.859 0.125 . 1 . . . . 138 ILE N . 10096 1 578 . 1 1 141 141 THR H H 1 8.523 0.004 . 1 . . . . 139 THR H . 10096 1 579 . 1 1 141 141 THR C C 13 173.280 0.344 . 1 . . . . 139 THR C . 10096 1 580 . 1 1 141 141 THR CA C 13 61.808 0.484 . 1 . . . . 139 THR CA . 10096 1 581 . 1 1 141 141 THR CB C 13 70.008 0.484 . 1 . . . . 139 THR CB . 10096 1 582 . 1 1 141 141 THR N N 15 123.602 0.125 . 1 . . . . 139 THR N . 10096 1 583 . 1 1 142 142 TYR H H 1 9.154 0.004 . 1 . . . . 140 TYR H . 10096 1 584 . 1 1 142 142 TYR C C 13 173.280 0.344 . 1 . . . . 140 TYR C . 10096 1 585 . 1 1 142 142 TYR CA C 13 57.185 0.484 . 1 . . . . 140 TYR CA . 10096 1 586 . 1 1 142 142 TYR CB C 13 41.870 0.484 . 1 . . . . 140 TYR CB . 10096 1 587 . 1 1 142 142 TYR N N 15 129.091 0.125 . 1 . . . . 140 TYR N . 10096 1 588 . 1 1 143 143 SER H H 1 8.162 0.004 . 1 . . . . 141 SER H . 10096 1 589 . 1 1 143 143 SER C C 13 173.470 0.344 . 1 . . . . 141 SER C . 10096 1 590 . 1 1 143 143 SER CA C 13 56.562 0.484 . 1 . . . . 141 SER CA . 10096 1 591 . 1 1 143 143 SER CB C 13 63.765 0.484 . 1 . . . . 141 SER CB . 10096 1 592 . 1 1 143 143 SER N N 15 124.602 0.125 . 1 . . . . 141 SER N . 10096 1 593 . 1 1 144 144 GLN H H 1 8.284 0.004 . 1 . . . . 142 GLN H . 10096 1 594 . 1 1 144 144 GLN CA C 13 55.197 0.484 . 1 . . . . 142 GLN CA . 10096 1 595 . 1 1 144 144 GLN CB C 13 30.698 0.484 . 1 . . . . 142 GLN CB . 10096 1 596 . 1 1 144 144 GLN N N 15 124.746 0.125 . 1 . . . . 142 GLN N . 10096 1 597 . 1 1 145 145 ASN H H 1 8.108 0.004 . 1 . . . . 143 ASN H . 10096 1 598 . 1 1 145 145 ASN N N 15 129.808 0.125 . 1 . . . . 143 ASN N . 10096 1 599 . 1 1 146 146 GLY C C 13 173.759 0.344 . 1 . . . . 144 GLY C . 10096 1 600 . 1 1 146 146 GLY CA C 13 45.260 0.484 . 1 . . . . 144 GLY CA . 10096 1 601 . 1 1 147 147 LYS H H 1 7.689 0.004 . 1 . . . . 145 LYS H . 10096 1 602 . 1 1 147 147 LYS C C 13 174.797 0.344 . 1 . . . . 145 LYS C . 10096 1 603 . 1 1 147 147 LYS CA C 13 54.315 0.484 . 1 . . . . 145 LYS CA . 10096 1 604 . 1 1 147 147 LYS CB C 13 33.095 0.484 . 1 . . . . 145 LYS CB . 10096 1 605 . 1 1 147 147 LYS N N 15 121.919 0.125 . 1 . . . . 145 LYS N . 10096 1 606 . 1 1 148 148 ASN H H 1 8.466 0.004 . 1 . . . . 146 ASN H . 10096 1 607 . 1 1 148 148 ASN C C 13 173.911 0.344 . 1 . . . . 146 ASN C . 10096 1 608 . 1 1 148 148 ASN CA C 13 52.313 0.484 . 1 . . . . 146 ASN CA . 10096 1 609 . 1 1 148 148 ASN CB C 13 39.543 0.484 . 1 . . . . 146 ASN CB . 10096 1 610 . 1 1 148 148 ASN N N 15 123.602 0.125 . 1 . . . . 146 ASN N . 10096 1 611 . 1 1 149 149 TRP H H 1 8.882 0.004 . 1 . . . . 147 TRP H . 10096 1 612 . 1 1 149 149 TRP C C 13 175.682 0.344 . 1 . . . . 147 TRP C . 10096 1 613 . 1 1 149 149 TRP CA C 13 57.036 0.484 . 1 . . . . 147 TRP CA . 10096 1 614 . 1 1 149 149 TRP CB C 13 31.584 0.484 . 1 . . . . 147 TRP CB . 10096 1 615 . 1 1 149 149 TRP N N 15 122.723 0.125 . 1 . . . . 147 TRP N . 10096 1 616 . 1 1 150 150 LYS H H 1 9.091 0.004 . 1 . . . . 148 LYS H . 10096 1 617 . 1 1 150 150 LYS C C 13 175.703 0.344 . 1 . . . . 148 LYS C . 10096 1 618 . 1 1 150 150 LYS CA C 13 54.316 0.484 . 1 . . . . 148 LYS CA . 10096 1 619 . 1 1 150 150 LYS CB C 13 33.444 0.484 . 1 . . . . 148 LYS CB . 10096 1 620 . 1 1 150 150 LYS N N 15 124.492 0.125 . 1 . . . . 148 LYS N . 10096 1 621 . 1 1 151 151 VAL H H 1 8.981 0.004 . 1 . . . . 149 VAL H . 10096 1 622 . 1 1 151 151 VAL C C 13 174.987 0.344 . 1 . . . . 149 VAL C . 10096 1 623 . 1 1 151 151 VAL CA C 13 59.998 0.484 . 1 . . . . 149 VAL CA . 10096 1 624 . 1 1 151 151 VAL CB C 13 32.943 0.484 . 1 . . . . 149 VAL CB . 10096 1 625 . 1 1 151 151 VAL N N 15 128.471 0.125 . 1 . . . . 149 VAL N . 10096 1 626 . 1 1 152 152 VAL H H 1 8.771 0.004 . 1 . . . . 150 VAL H . 10096 1 627 . 1 1 152 152 VAL C C 13 175.465 0.344 . 1 . . . . 150 VAL C . 10096 1 628 . 1 1 152 152 VAL CA C 13 60.534 0.484 . 1 . . . . 150 VAL CA . 10096 1 629 . 1 1 152 152 VAL CB C 13 34.533 0.484 . 1 . . . . 150 VAL CB . 10096 1 630 . 1 1 152 152 VAL N N 15 125.266 0.125 . 1 . . . . 150 VAL N . 10096 1 631 . 1 1 153 153 TYR H H 1 8.320 0.004 . 1 . . . . 151 TYR H . 10096 1 632 . 1 1 153 153 TYR C C 13 176.365 0.344 . 1 . . . . 151 TYR C . 10096 1 633 . 1 1 153 153 TYR CA C 13 57.412 0.484 . 1 . . . . 151 TYR CA . 10096 1 634 . 1 1 153 153 TYR CB C 13 38.416 0.484 . 1 . . . . 151 TYR CB . 10096 1 635 . 1 1 153 153 TYR N N 15 127.185 0.125 . 1 . . . . 151 TYR N . 10096 1 636 . 1 1 154 154 GLY H H 1 8.214 0.004 . 1 . . . . 152 GLY H . 10096 1 637 . 1 1 154 154 GLY C C 13 174.452 0.344 . 1 . . . . 152 GLY C . 10096 1 638 . 1 1 154 154 GLY CA C 13 45.205 0.484 . 1 . . . . 152 GLY CA . 10096 1 639 . 1 1 154 154 GLY N N 15 113.958 0.125 . 1 . . . . 152 GLY N . 10096 1 640 . 1 1 155 155 GLY H H 1 7.332 0.004 . 1 . . . . 153 GLY H . 10096 1 641 . 1 1 155 155 GLY C C 13 171.900 0.344 . 1 . . . . 153 GLY C . 10096 1 642 . 1 1 155 155 GLY CA C 13 44.960 0.484 . 1 . . . . 153 GLY CA . 10096 1 643 . 1 1 155 155 GLY N N 15 107.200 0.125 . 1 . . . . 153 GLY N . 10096 1 644 . 1 1 156 156 TYR H H 1 8.790 0.004 . 1 . . . . 154 TYR H . 10096 1 645 . 1 1 156 156 TYR C C 13 174.530 0.344 . 1 . . . . 154 TYR C . 10096 1 646 . 1 1 156 156 TYR CA C 13 58.169 0.484 . 1 . . . . 154 TYR CA . 10096 1 647 . 1 1 156 156 TYR CB C 13 41.245 0.484 . 1 . . . . 154 TYR CB . 10096 1 648 . 1 1 156 156 TYR N N 15 121.102 0.125 . 1 . . . . 154 TYR N . 10096 1 649 . 1 1 157 157 ASP H H 1 9.745 0.004 . 1 . . . . 155 ASP H . 10096 1 650 . 1 1 157 157 ASP C C 13 177.043 0.344 . 1 . . . . 155 ASP C . 10096 1 651 . 1 1 157 157 ASP CA C 13 53.216 0.484 . 1 . . . . 155 ASP CA . 10096 1 652 . 1 1 157 157 ASP CB C 13 41.001 0.484 . 1 . . . . 155 ASP CB . 10096 1 653 . 1 1 157 157 ASP N N 15 124.606 0.125 . 1 . . . . 155 ASP N . 10096 1 654 . 1 1 158 158 THR H H 1 8.144 0.004 . 1 . . . . 156 THR H . 10096 1 655 . 1 1 158 158 THR C C 13 175.822 0.344 . 1 . . . . 156 THR C . 10096 1 656 . 1 1 158 158 THR CA C 13 61.298 0.484 . 1 . . . . 156 THR CA . 10096 1 657 . 1 1 158 158 THR CB C 13 68.017 0.484 . 1 . . . . 156 THR CB . 10096 1 658 . 1 1 158 158 THR N N 15 115.081 0.125 . 1 . . . . 156 THR N . 10096 1 659 . 1 1 159 159 LYS H H 1 8.658 0.004 . 1 . . . . 157 LYS H . 10096 1 660 . 1 1 159 159 LYS C C 13 177.576 0.344 . 1 . . . . 157 LYS C . 10096 1 661 . 1 1 159 159 LYS CA C 13 57.770 0.484 . 1 . . . . 157 LYS CA . 10096 1 662 . 1 1 159 159 LYS CB C 13 31.146 0.484 . 1 . . . . 157 LYS CB . 10096 1 663 . 1 1 159 159 LYS N N 15 123.589 0.125 . 1 . . . . 157 LYS N . 10096 1 664 . 1 1 160 160 THR H H 1 7.144 0.004 . 1 . . . . 158 THR H . 10096 1 665 . 1 1 160 160 THR C C 13 171.948 0.344 . 1 . . . . 158 THR C . 10096 1 666 . 1 1 160 160 THR CA C 13 60.723 0.484 . 1 . . . . 158 THR CA . 10096 1 667 . 1 1 160 160 THR CB C 13 70.462 0.484 . 1 . . . . 158 THR CB . 10096 1 668 . 1 1 160 160 THR N N 15 113.103 0.125 . 1 . . . . 158 THR N . 10096 1 669 . 1 1 161 161 GLN H H 1 7.707 0.004 . 1 . . . . 159 GLN H . 10096 1 670 . 1 1 161 161 GLN CA C 13 51.937 0.484 . 1 . . . . 159 GLN CA . 10096 1 671 . 1 1 161 161 GLN CB C 13 29.900 0.484 . 1 . . . . 159 GLN CB . 10096 1 672 . 1 1 161 161 GLN N N 15 122.161 0.125 . 1 . . . . 159 GLN N . 10096 1 673 . 1 1 162 162 PRO C C 13 174.177 0.344 . 1 . . . . 160 PRO C . 10096 1 674 . 1 1 162 162 PRO CA C 13 62.112 0.484 . 1 . . . . 160 PRO CA . 10096 1 675 . 1 1 162 162 PRO CB C 13 33.747 0.484 . 1 . . . . 160 PRO CB . 10096 1 676 . 1 1 163 163 ALA H H 1 8.230 0.004 . 1 . . . . 161 ALA H . 10096 1 677 . 1 1 163 163 ALA C C 13 176.195 0.344 . 1 . . . . 161 ALA C . 10096 1 678 . 1 1 163 163 ALA CA C 13 52.435 0.484 . 1 . . . . 161 ALA CA . 10096 1 679 . 1 1 163 163 ALA CB C 13 18.773 0.484 . 1 . . . . 161 ALA CB . 10096 1 680 . 1 1 163 163 ALA N N 15 122.358 0.125 . 1 . . . . 161 ALA N . 10096 1 681 . 1 1 164 164 MET H H 1 6.895 0.004 . 1 . . . . 162 MET H . 10096 1 682 . 1 1 164 164 MET CA C 13 50.322 0.484 . 1 . . . . 162 MET CA . 10096 1 683 . 1 1 164 164 MET CB C 13 28.760 0.484 . 1 . . . . 162 MET CB . 10096 1 684 . 1 1 164 164 MET N N 15 117.866 0.125 . 1 . . . . 162 MET N . 10096 1 685 . 1 1 165 165 PRO C C 13 174.616 0.344 . 1 . . . . 163 PRO C . 10096 1 686 . 1 1 165 165 PRO CA C 13 64.088 0.484 . 1 . . . . 163 PRO CA . 10096 1 687 . 1 1 165 165 PRO CB C 13 31.972 0.484 . 1 . . . . 163 PRO CB . 10096 1 688 . 1 1 166 166 ALA H H 1 8.786 0.004 . 1 . . . . 164 ALA H . 10096 1 689 . 1 1 166 166 ALA C C 13 178.197 0.344 . 1 . . . . 164 ALA C . 10096 1 690 . 1 1 166 166 ALA CA C 13 51.937 0.484 . 1 . . . . 164 ALA CA . 10096 1 691 . 1 1 166 166 ALA CB C 13 19.801 0.484 . 1 . . . . 164 ALA CB . 10096 1 692 . 1 1 166 166 ALA N N 15 123.874 0.125 . 1 . . . . 164 ALA N . 10096 1 693 . 1 1 167 167 ASN H H 1 7.188 0.004 . 1 . . . . 165 ASN H . 10096 1 694 . 1 1 167 167 ASN C C 13 174.272 0.344 . 1 . . . . 165 ASN C . 10096 1 695 . 1 1 167 167 ASN CA C 13 53.053 0.484 . 1 . . . . 165 ASN CA . 10096 1 696 . 1 1 167 167 ASN CB C 13 40.953 0.484 . 1 . . . . 165 ASN CB . 10096 1 697 . 1 1 167 167 ASN N N 15 115.065 0.125 . 1 . . . . 165 ASN N . 10096 1 698 . 1 1 168 168 MET H H 1 9.147 0.004 . 1 . . . . 166 MET H . 10096 1 699 . 1 1 168 168 MET C C 13 173.494 0.344 . 1 . . . . 166 MET C . 10096 1 700 . 1 1 168 168 MET CA C 13 54.924 0.484 . 1 . . . . 166 MET CA . 10096 1 701 . 1 1 168 168 MET CB C 13 37.640 0.484 . 1 . . . . 166 MET CB . 10096 1 702 . 1 1 168 168 MET N N 15 121.619 0.125 . 1 . . . . 166 MET N . 10096 1 703 . 1 1 169 169 GLU H H 1 8.505 0.004 . 1 . . . . 167 GLU H . 10096 1 704 . 1 1 169 169 GLU C C 13 174.343 0.344 . 1 . . . . 167 GLU C . 10096 1 705 . 1 1 169 169 GLU CA C 13 54.832 0.484 . 1 . . . . 167 GLU CA . 10096 1 706 . 1 1 169 169 GLU CB C 13 32.582 0.484 . 1 . . . . 167 GLU CB . 10096 1 707 . 1 1 169 169 GLU N N 15 122.116 0.125 . 1 . . . . 167 GLU N . 10096 1 708 . 1 1 170 170 LEU H H 1 9.430 0.004 . 1 . . . . 168 LEU H . 10096 1 709 . 1 1 170 170 LEU C C 13 176.052 0.344 . 1 . . . . 168 LEU C . 10096 1 710 . 1 1 170 170 LEU CA C 13 54.354 0.484 . 1 . . . . 168 LEU CA . 10096 1 711 . 1 1 170 170 LEU CB C 13 43.746 0.484 . 1 . . . . 168 LEU CB . 10096 1 712 . 1 1 170 170 LEU N N 15 126.313 0.125 . 1 . . . . 168 LEU N . 10096 1 713 . 1 1 171 171 THR H H 1 9.212 0.004 . 1 . . . . 169 THR H . 10096 1 714 . 1 1 171 171 THR C C 13 172.256 0.344 . 1 . . . . 169 THR C . 10096 1 715 . 1 1 171 171 THR CA C 13 59.849 0.484 . 1 . . . . 169 THR CA . 10096 1 716 . 1 1 171 171 THR CB C 13 71.481 0.484 . 1 . . . . 169 THR CB . 10096 1 717 . 1 1 171 171 THR N N 15 115.878 0.125 . 1 . . . . 169 THR N . 10096 1 718 . 1 1 172 172 ASP H H 1 7.765 0.004 . 1 . . . . 170 ASP H . 10096 1 719 . 1 1 172 172 ASP C C 13 177.694 0.344 . 1 . . . . 170 ASP C . 10096 1 720 . 1 1 172 172 ASP CA C 13 52.636 0.484 . 1 . . . . 170 ASP CA . 10096 1 721 . 1 1 172 172 ASP CB C 13 39.932 0.484 . 1 . . . . 170 ASP CB . 10096 1 722 . 1 1 172 172 ASP N N 15 127.594 0.125 . 1 . . . . 170 ASP N . 10096 1 723 . 1 1 173 173 GLY H H 1 8.451 0.004 . 1 . . . . 171 GLY H . 10096 1 724 . 1 1 173 173 GLY C C 13 174.614 0.344 . 1 . . . . 171 GLY C . 10096 1 725 . 1 1 173 173 GLY CA C 13 45.700 0.484 . 1 . . . . 171 GLY CA . 10096 1 726 . 1 1 173 173 GLY N N 15 113.002 0.125 . 1 . . . . 171 GLY N . 10096 1 727 . 1 1 174 174 GLY H H 1 8.388 0.004 . 1 . . . . 172 GLY H . 10096 1 728 . 1 1 174 174 GLY C C 13 173.427 0.344 . 1 . . . . 172 GLY C . 10096 1 729 . 1 1 174 174 GLY CA C 13 45.407 0.484 . 1 . . . . 172 GLY CA . 10096 1 730 . 1 1 174 174 GLY N N 15 112.620 0.125 . 1 . . . . 172 GLY N . 10096 1 731 . 1 1 175 175 GLN H H 1 8.566 0.004 . 1 . . . . 173 GLN H . 10096 1 732 . 1 1 175 175 GLN C C 13 175.139 0.344 . 1 . . . . 173 GLN C . 10096 1 733 . 1 1 175 175 GLN CA C 13 54.070 0.484 . 1 . . . . 173 GLN CA . 10096 1 734 . 1 1 175 175 GLN CB C 13 30.426 0.484 . 1 . . . . 173 GLN CB . 10096 1 735 . 1 1 175 175 GLN N N 15 121.874 0.125 . 1 . . . . 173 GLN N . 10096 1 736 . 1 1 176 176 ARG H H 1 8.625 0.004 . 1 . . . . 174 ARG H . 10096 1 737 . 1 1 176 176 ARG C C 13 173.775 0.344 . 1 . . . . 174 ARG C . 10096 1 738 . 1 1 176 176 ARG CA C 13 54.366 0.484 . 1 . . . . 174 ARG CA . 10096 1 739 . 1 1 176 176 ARG CB C 13 33.272 0.484 . 1 . . . . 174 ARG CB . 10096 1 740 . 1 1 176 176 ARG N N 15 123.686 0.125 . 1 . . . . 174 ARG N . 10096 1 741 . 1 1 177 177 ILE H H 1 9.186 0.004 . 1 . . . . 175 ILE H . 10096 1 742 . 1 1 177 177 ILE C C 13 174.563 0.344 . 1 . . . . 175 ILE C . 10096 1 743 . 1 1 177 177 ILE CA C 13 59.400 0.484 . 1 . . . . 175 ILE CA . 10096 1 744 . 1 1 177 177 ILE CB C 13 40.091 0.484 . 1 . . . . 175 ILE CB . 10096 1 745 . 1 1 177 177 ILE N N 15 124.745 0.125 . 1 . . . . 175 ILE N . 10096 1 746 . 1 1 178 178 LYS H H 1 9.101 0.004 . 1 . . . . 176 LYS H . 10096 1 747 . 1 1 178 178 LYS C C 13 174.782 0.344 . 1 . . . . 176 LYS C . 10096 1 748 . 1 1 178 178 LYS CA C 13 54.642 0.484 . 1 . . . . 176 LYS CA . 10096 1 749 . 1 1 178 178 LYS CB C 13 34.441 0.484 . 1 . . . . 176 LYS CB . 10096 1 750 . 1 1 178 178 LYS N N 15 127.458 0.125 . 1 . . . . 176 LYS N . 10096 1 751 . 1 1 179 179 LEU H H 1 8.565 0.004 . 1 . . . . 177 LEU H . 10096 1 752 . 1 1 179 179 LEU C C 13 175.318 0.344 . 1 . . . . 177 LEU C . 10096 1 753 . 1 1 179 179 LEU CA C 13 54.016 0.484 . 1 . . . . 177 LEU CA . 10096 1 754 . 1 1 179 179 LEU CB C 13 44.167 0.484 . 1 . . . . 177 LEU CB . 10096 1 755 . 1 1 179 179 LEU N N 15 124.059 0.125 . 1 . . . . 177 LEU N . 10096 1 756 . 1 1 180 180 LYS H H 1 8.616 0.004 . 1 . . . . 178 LYS H . 10096 1 757 . 1 1 180 180 LYS C C 13 174.834 0.344 . 1 . . . . 178 LYS C . 10096 1 758 . 1 1 180 180 LYS CA C 13 55.572 0.484 . 1 . . . . 178 LYS CA . 10096 1 759 . 1 1 180 180 LYS CB C 13 34.556 0.484 . 1 . . . . 178 LYS CB . 10096 1 760 . 1 1 180 180 LYS N N 15 125.036 0.125 . 1 . . . . 178 LYS N . 10096 1 761 . 1 1 181 181 MET H H 1 8.768 0.004 . 1 . . . . 179 MET H . 10096 1 762 . 1 1 181 181 MET C C 13 176.128 0.344 . 1 . . . . 179 MET C . 10096 1 763 . 1 1 181 181 MET CA C 13 57.273 0.484 . 1 . . . . 179 MET CA . 10096 1 764 . 1 1 181 181 MET CB C 13 32.238 0.484 . 1 . . . . 179 MET CB . 10096 1 765 . 1 1 181 181 MET N N 15 130.230 0.125 . 1 . . . . 179 MET N . 10096 1 766 . 1 1 182 182 ASP H H 1 9.481 0.004 . 1 . . . . 180 ASP H . 10096 1 767 . 1 1 182 182 ASP C C 13 176.402 0.344 . 1 . . . . 180 ASP C . 10096 1 768 . 1 1 182 182 ASP CA C 13 55.637 0.484 . 1 . . . . 180 ASP CA . 10096 1 769 . 1 1 182 182 ASP CB C 13 41.414 0.484 . 1 . . . . 180 ASP CB . 10096 1 770 . 1 1 182 182 ASP N N 15 125.098 0.125 . 1 . . . . 180 ASP N . 10096 1 771 . 1 1 183 183 ASN H H 1 7.128 0.004 . 1 . . . . 181 ASN H . 10096 1 772 . 1 1 183 183 ASN C C 13 172.912 0.344 . 1 . . . . 181 ASN C . 10096 1 773 . 1 1 183 183 ASN CA C 13 53.032 0.484 . 1 . . . . 181 ASN CA . 10096 1 774 . 1 1 183 183 ASN CB C 13 40.918 0.484 . 1 . . . . 181 ASN CB . 10096 1 775 . 1 1 183 183 ASN N N 15 113.358 0.125 . 1 . . . . 181 ASN N . 10096 1 776 . 1 1 184 184 TRP H H 1 8.952 0.004 . 1 . . . . 182 TRP H . 10096 1 777 . 1 1 184 184 TRP C C 13 175.950 0.344 . 1 . . . . 182 TRP C . 10096 1 778 . 1 1 184 184 TRP CA C 13 57.500 0.484 . 1 . . . . 182 TRP CA . 10096 1 779 . 1 1 184 184 TRP CB C 13 33.308 0.484 . 1 . . . . 182 TRP CB . 10096 1 780 . 1 1 184 184 TRP N N 15 123.652 0.125 . 1 . . . . 182 TRP N . 10096 1 781 . 1 1 185 185 ILE H H 1 9.210 0.004 . 1 . . . . 183 ILE H . 10096 1 782 . 1 1 185 185 ILE C C 13 176.316 0.344 . 1 . . . . 183 ILE C . 10096 1 783 . 1 1 185 185 ILE CA C 13 61.399 0.484 . 1 . . . . 183 ILE CA . 10096 1 784 . 1 1 185 185 ILE CB C 13 39.882 0.484 . 1 . . . . 183 ILE CB . 10096 1 785 . 1 1 185 185 ILE N N 15 123.018 0.125 . 1 . . . . 183 ILE N . 10096 1 786 . 1 1 186 186 VAL H H 1 8.609 0.004 . 1 . . . . 184 VAL H . 10096 1 787 . 1 1 186 186 VAL C C 13 174.475 0.344 . 1 . . . . 184 VAL C . 10096 1 788 . 1 1 186 186 VAL CA C 13 58.288 0.484 . 1 . . . . 184 VAL CA . 10096 1 789 . 1 1 186 186 VAL CB C 13 34.363 0.484 . 1 . . . . 184 VAL CB . 10096 1 790 . 1 1 186 186 VAL N N 15 122.212 0.125 . 1 . . . . 184 VAL N . 10096 1 791 . 1 1 187 187 LYS H H 1 8.407 0.004 . 1 . . . . 185 LYS H . 10096 1 792 . 1 1 187 187 LYS CA C 13 57.753 0.484 . 1 . . . . 185 LYS CA . 10096 1 793 . 1 1 187 187 LYS CB C 13 34.511 0.484 . 1 . . . . 185 LYS CB . 10096 1 794 . 1 1 187 187 LYS N N 15 127.963 0.125 . 1 . . . . 185 LYS N . 10096 1 stop_ save_