data_10078 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 10078 _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 LolA and LolB' 'Protein-Protein Interaction' ; The data from this entries has been used to investigate an interaction between LolA and LolB ; 10078 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID 1 'protein-protein interaction' 10078 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10078 _Entry.Title ; Backbone Resonance Assignments for LolA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-01-21 _Entry.Accession_date 2007-01-21 _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 . . . 10078 2 Hideo Takahashi . . . 10078 3 Masayoshi Sakakura . . . 10078 4 Masuo Kurono . . . 10078 5 Ichio Shimada . . . 10078 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' . 10078 1 . 'Genomic Science Laboratory, Dainippon Sumitomo Pharma Co., Ltd.' . 10078 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10078 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 515 10078 '15N chemical shifts' 162 10078 '1H chemical shifts' 162 10078 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 2007-01-21 update BMRB 'complete entry citation' 10078 1 . . 2007-08-22 2007-01-21 original author 'original release' 10078 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10078 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636845 _Citation.Full_citation . _Citation.Title 'Backbone resonance assignments for the periplasmic chaperone LolA 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 125 _Citation.Page_last 127 _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 . . . 10078 1 2 Takahashi Hideo . . . 10078 1 3 Sakakura Masayoshi . . . 10078 1 4 Kurono Masuo . . . 10078 1 5 Shimada Ichio . . . 10078 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10078 _Assembly.ID 1 _Assembly.Name 'LolA 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 21600 _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' 10078 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 'LolA monomer' 1 $LolA . . yes native no no . . . 10078 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 1IWL . . 'X-ray Crystal Analysis' . . . 10078 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Outer-membrane lipoprotein carrier protein' 10078 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LolA _Entity.Sf_category entity _Entity.Sf_framecode LolA _Entity.Entry_ID 10078 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name LolA _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 ; MADAASDLKSRLDKVSSFHA SFTQKVTDGSGAAVQEGQGD LWVKRPNLFNWHMTQPDESI LVSDGKTLWFYNPFVEQATA TWLKDATGNTPFMLIARNQS SDWQQYNIKQNGDDFVLTPK ASNGNLKQFTINVGRDGTIH QFSAVEQDDQRSSYQLKSQQ NGAVDAAKFTFTPPQGVTVD DQRKLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 192 _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 21600 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The signal peptides (21 aa) at the N-terminus of LolA was 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 1IWL . "Crystal Structure Of The Lipoprotein Localization Factor, Lola" . . . . . 94.79 182 100.00 100.00 1.59e-129 . . . . 10078 1 2 no PDB 1UA8 . "Crystal Structure Of The Lipoprotein Localization Factor, Lola" . . . . . 94.79 182 100.00 100.00 1.59e-129 . . . . 10078 1 3 no PDB 2ZPC . "Crystal Structure Of The R43l Mutant Of Lola In The Closed Form" . . . . . 98.96 190 99.47 99.47 1.20e-135 . . . . 10078 1 4 no PDB 2ZPD . "Crystal Structure Of The R43l Mutant Of Lola In The Open Form" . . . . . 98.96 190 99.47 99.47 1.20e-135 . . . . 10078 1 5 no PDB 3KSN . "Crystal Structure Of The Lipoprotein Localization Factor, Lola" . . . . . 95.31 183 99.45 99.45 1.90e-129 . . . . 10078 1 6 no DBJ BAA08390 . "lipoprotein carrier protein precursor [Escherichia coli]" . . . . . 95.31 204 100.00 100.00 1.03e-130 . . . . 10078 1 7 no DBJ BAA35616 . "chaperone for lipoproteins [Escherichia coli str. K12 substr. W3110]" . . . . . 95.31 204 100.00 100.00 1.03e-130 . . . . 10078 1 8 no DBJ BAB34399 . "periplasmic protein effects translocation of lipoproteins from inner membrane to outer [Escherichia coli O157:H7 str. Sakai]" . . . . . 95.31 204 100.00 100.00 1.03e-130 . . . . 10078 1 9 no DBJ BAG76473 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 95.31 204 100.00 100.00 1.03e-130 . . . . 10078 1 10 no DBJ BAI24333 . "chaperone IolA [Escherichia coli O26:H11 str. 11368]" . . . . . 95.31 204 100.00 100.00 1.03e-130 . . . . 10078 1 11 no EMBL CAP75364 . "Outer-membrane lipoprotein carrier protein [Escherichia coli LF82]" . . . . . 95.31 204 100.00 100.00 1.03e-130 . . . . 10078 1 12 no EMBL CAQ31419 . "periplasmic chaperone, effects translocation of lipoproteins from inner membrane to outer [Escherichia coli BL21(DE3)]" . . . . . 95.31 204 100.00 100.00 1.03e-130 . . . . 10078 1 13 no EMBL CAQ88570 . "chaperone for lipoproteins [Escherichia fergusonii ATCC 35469]" . . . . . 95.31 204 100.00 100.00 1.03e-130 . . . . 10078 1 14 no EMBL CAQ97795 . "chaperone for lipoproteins [Escherichia coli IAI1]" . . . . . 95.31 204 100.00 100.00 1.03e-130 . . . . 10078 1 15 no EMBL CAR02254 . "chaperone for lipoproteins [Escherichia coli S88]" . . . . . 95.31 204 100.00 100.00 1.03e-130 . . . . 10078 1 16 no GB AAC73977 . "lipoprotein chaperone [Escherichia coli str. K-12 substr. MG1655]" . . . . . 95.31 203 100.00 100.00 1.39e-130 . . . . 10078 1 17 no GB AAG55378 . "periplasmic protein effects translocation of lipoproteins from inner membrane to outer [Escherichia coli O157:H7 str. EDL933]" . . . . . 95.31 204 100.00 100.00 1.03e-130 . . . . 10078 1 18 no GB AAN42483 . "periplasmic protein [Shigella flexneri 2a str. 301]" . . . . . 95.31 204 100.00 100.00 1.03e-130 . . . . 10078 1 19 no GB AAN79500 . "Outer-membrane lipoproteins carrier protein precursor [Escherichia coli CFT073]" . . . . . 95.31 204 100.00 100.00 1.03e-130 . . . . 10078 1 20 no GB AAP16355 . "periplasmic protein [Shigella flexneri 2a str. 2457T]" . . . . . 95.31 204 100.00 100.00 1.03e-130 . . . . 10078 1 21 no PIR F85614 . "outer membrane lipoprotein carrier protein precursor [similarity] - Escherichia coli (strain O157:H7, substrain EDL933)" . . . . . 95.31 204 100.00 100.00 1.03e-130 . . . . 10078 1 22 no PIR H90750 . "outer membrane lipoprotein carrier protein precursor [similarity] - Escherichia coli (strain O157:H7, substrain RIMD 0509952)" . . . . . 95.31 204 100.00 100.00 1.03e-130 . . . . 10078 1 23 no REF NP_309003 . "outer-membrane lipoprotein carrier protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 95.31 204 100.00 100.00 1.03e-130 . . . . 10078 1 24 no REF NP_415411 . "lipoprotein chaperone [Escherichia coli str. K-12 substr. MG1655]" . . . . . 95.31 203 100.00 100.00 1.39e-130 . . . . 10078 1 25 no REF NP_706776 . "lipoprotein chaperone [Shigella flexneri 2a str. 301]" . . . . . 95.31 204 100.00 100.00 1.03e-130 . . . . 10078 1 26 no REF WP_000976047 . "MULTISPECIES: outer membrane lipoprotein carrier protein LolA [Enterobacteriaceae]" . . . . . 95.31 204 100.00 100.00 1.03e-130 . . . . 10078 1 27 no REF WP_001245402 . "outer membrane lipoprotein carrier protein LolA [Escherichia coli]" . . . . . 95.31 207 100.00 100.00 1.53e-130 . . . . 10078 1 28 no SP A7ZJW0 . "RecName: Full=Outer-membrane lipoprotein carrier protein; Flags: Precursor" . . . . . 95.31 203 100.00 100.00 1.39e-130 . . . . 10078 1 29 no SP A7ZYJ5 . "RecName: Full=Outer-membrane lipoprotein carrier protein; Flags: Precursor" . . . . . 95.31 203 100.00 100.00 1.39e-130 . . . . 10078 1 30 no SP B1IWN2 . "RecName: Full=Outer-membrane lipoprotein carrier protein; Flags: Precursor" . . . . . 95.31 203 100.00 100.00 1.39e-130 . . . . 10078 1 31 no SP B1LJX2 . "RecName: Full=Outer-membrane lipoprotein carrier protein; Flags: Precursor" . . . . . 95.31 203 100.00 100.00 1.39e-130 . . . . 10078 1 32 no SP B1X831 . "RecName: Full=Outer-membrane lipoprotein carrier protein; Flags: Precursor" . . . . . 95.31 203 100.00 100.00 1.39e-130 . . . . 10078 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Outer-membrane lipoprotein carrier protein' 10078 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 . 10078 1 2 0 ALA . 10078 1 3 1 ASP . 10078 1 4 2 ALA . 10078 1 5 3 ALA . 10078 1 6 4 SER . 10078 1 7 5 ASP . 10078 1 8 6 LEU . 10078 1 9 7 LYS . 10078 1 10 8 SER . 10078 1 11 9 ARG . 10078 1 12 10 LEU . 10078 1 13 11 ASP . 10078 1 14 12 LYS . 10078 1 15 13 VAL . 10078 1 16 14 SER . 10078 1 17 15 SER . 10078 1 18 16 PHE . 10078 1 19 17 HIS . 10078 1 20 18 ALA . 10078 1 21 19 SER . 10078 1 22 20 PHE . 10078 1 23 21 THR . 10078 1 24 22 GLN . 10078 1 25 23 LYS . 10078 1 26 24 VAL . 10078 1 27 25 THR . 10078 1 28 26 ASP . 10078 1 29 27 GLY . 10078 1 30 28 SER . 10078 1 31 29 GLY . 10078 1 32 30 ALA . 10078 1 33 31 ALA . 10078 1 34 32 VAL . 10078 1 35 33 GLN . 10078 1 36 34 GLU . 10078 1 37 35 GLY . 10078 1 38 36 GLN . 10078 1 39 37 GLY . 10078 1 40 38 ASP . 10078 1 41 39 LEU . 10078 1 42 40 TRP . 10078 1 43 41 VAL . 10078 1 44 42 LYS . 10078 1 45 43 ARG . 10078 1 46 44 PRO . 10078 1 47 45 ASN . 10078 1 48 46 LEU . 10078 1 49 47 PHE . 10078 1 50 48 ASN . 10078 1 51 49 TRP . 10078 1 52 50 HIS . 10078 1 53 51 MET . 10078 1 54 52 THR . 10078 1 55 53 GLN . 10078 1 56 54 PRO . 10078 1 57 55 ASP . 10078 1 58 56 GLU . 10078 1 59 57 SER . 10078 1 60 58 ILE . 10078 1 61 59 LEU . 10078 1 62 60 VAL . 10078 1 63 61 SER . 10078 1 64 62 ASP . 10078 1 65 63 GLY . 10078 1 66 64 LYS . 10078 1 67 65 THR . 10078 1 68 66 LEU . 10078 1 69 67 TRP . 10078 1 70 68 PHE . 10078 1 71 69 TYR . 10078 1 72 70 ASN . 10078 1 73 71 PRO . 10078 1 74 72 PHE . 10078 1 75 73 VAL . 10078 1 76 74 GLU . 10078 1 77 75 GLN . 10078 1 78 76 ALA . 10078 1 79 77 THR . 10078 1 80 78 ALA . 10078 1 81 79 THR . 10078 1 82 80 TRP . 10078 1 83 81 LEU . 10078 1 84 82 LYS . 10078 1 85 83 ASP . 10078 1 86 84 ALA . 10078 1 87 85 THR . 10078 1 88 86 GLY . 10078 1 89 87 ASN . 10078 1 90 88 THR . 10078 1 91 89 PRO . 10078 1 92 90 PHE . 10078 1 93 91 MET . 10078 1 94 92 LEU . 10078 1 95 93 ILE . 10078 1 96 94 ALA . 10078 1 97 95 ARG . 10078 1 98 96 ASN . 10078 1 99 97 GLN . 10078 1 100 98 SER . 10078 1 101 99 SER . 10078 1 102 100 ASP . 10078 1 103 101 TRP . 10078 1 104 102 GLN . 10078 1 105 103 GLN . 10078 1 106 104 TYR . 10078 1 107 105 ASN . 10078 1 108 106 ILE . 10078 1 109 107 LYS . 10078 1 110 108 GLN . 10078 1 111 109 ASN . 10078 1 112 110 GLY . 10078 1 113 111 ASP . 10078 1 114 112 ASP . 10078 1 115 113 PHE . 10078 1 116 114 VAL . 10078 1 117 115 LEU . 10078 1 118 116 THR . 10078 1 119 117 PRO . 10078 1 120 118 LYS . 10078 1 121 119 ALA . 10078 1 122 120 SER . 10078 1 123 121 ASN . 10078 1 124 122 GLY . 10078 1 125 123 ASN . 10078 1 126 124 LEU . 10078 1 127 125 LYS . 10078 1 128 126 GLN . 10078 1 129 127 PHE . 10078 1 130 128 THR . 10078 1 131 129 ILE . 10078 1 132 130 ASN . 10078 1 133 131 VAL . 10078 1 134 132 GLY . 10078 1 135 133 ARG . 10078 1 136 134 ASP . 10078 1 137 135 GLY . 10078 1 138 136 THR . 10078 1 139 137 ILE . 10078 1 140 138 HIS . 10078 1 141 139 GLN . 10078 1 142 140 PHE . 10078 1 143 141 SER . 10078 1 144 142 ALA . 10078 1 145 143 VAL . 10078 1 146 144 GLU . 10078 1 147 145 GLN . 10078 1 148 146 ASP . 10078 1 149 147 ASP . 10078 1 150 148 GLN . 10078 1 151 149 ARG . 10078 1 152 150 SER . 10078 1 153 151 SER . 10078 1 154 152 TYR . 10078 1 155 153 GLN . 10078 1 156 154 LEU . 10078 1 157 155 LYS . 10078 1 158 156 SER . 10078 1 159 157 GLN . 10078 1 160 158 GLN . 10078 1 161 159 ASN . 10078 1 162 160 GLY . 10078 1 163 161 ALA . 10078 1 164 162 VAL . 10078 1 165 163 ASP . 10078 1 166 164 ALA . 10078 1 167 165 ALA . 10078 1 168 166 LYS . 10078 1 169 167 PHE . 10078 1 170 168 THR . 10078 1 171 169 PHE . 10078 1 172 170 THR . 10078 1 173 171 PRO . 10078 1 174 172 PRO . 10078 1 175 173 GLN . 10078 1 176 174 GLY . 10078 1 177 175 VAL . 10078 1 178 176 THR . 10078 1 179 177 VAL . 10078 1 180 178 ASP . 10078 1 181 179 ASP . 10078 1 182 180 GLN . 10078 1 183 181 ARG . 10078 1 184 182 LYS . 10078 1 185 183 LEU . 10078 1 186 184 GLU . 10078 1 187 185 HIS . 10078 1 188 186 HIS . 10078 1 189 187 HIS . 10078 1 190 188 HIS . 10078 1 191 189 HIS . 10078 1 192 190 HIS . 10078 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 10078 1 . ALA 2 2 10078 1 . ASP 3 3 10078 1 . ALA 4 4 10078 1 . ALA 5 5 10078 1 . SER 6 6 10078 1 . ASP 7 7 10078 1 . LEU 8 8 10078 1 . LYS 9 9 10078 1 . SER 10 10 10078 1 . ARG 11 11 10078 1 . LEU 12 12 10078 1 . ASP 13 13 10078 1 . LYS 14 14 10078 1 . VAL 15 15 10078 1 . SER 16 16 10078 1 . SER 17 17 10078 1 . PHE 18 18 10078 1 . HIS 19 19 10078 1 . ALA 20 20 10078 1 . SER 21 21 10078 1 . PHE 22 22 10078 1 . THR 23 23 10078 1 . GLN 24 24 10078 1 . LYS 25 25 10078 1 . VAL 26 26 10078 1 . THR 27 27 10078 1 . ASP 28 28 10078 1 . GLY 29 29 10078 1 . SER 30 30 10078 1 . GLY 31 31 10078 1 . ALA 32 32 10078 1 . ALA 33 33 10078 1 . VAL 34 34 10078 1 . GLN 35 35 10078 1 . GLU 36 36 10078 1 . GLY 37 37 10078 1 . GLN 38 38 10078 1 . GLY 39 39 10078 1 . ASP 40 40 10078 1 . LEU 41 41 10078 1 . TRP 42 42 10078 1 . VAL 43 43 10078 1 . LYS 44 44 10078 1 . ARG 45 45 10078 1 . PRO 46 46 10078 1 . ASN 47 47 10078 1 . LEU 48 48 10078 1 . PHE 49 49 10078 1 . ASN 50 50 10078 1 . TRP 51 51 10078 1 . HIS 52 52 10078 1 . MET 53 53 10078 1 . THR 54 54 10078 1 . GLN 55 55 10078 1 . PRO 56 56 10078 1 . ASP 57 57 10078 1 . GLU 58 58 10078 1 . SER 59 59 10078 1 . ILE 60 60 10078 1 . LEU 61 61 10078 1 . VAL 62 62 10078 1 . SER 63 63 10078 1 . ASP 64 64 10078 1 . GLY 65 65 10078 1 . LYS 66 66 10078 1 . THR 67 67 10078 1 . LEU 68 68 10078 1 . TRP 69 69 10078 1 . PHE 70 70 10078 1 . TYR 71 71 10078 1 . ASN 72 72 10078 1 . PRO 73 73 10078 1 . PHE 74 74 10078 1 . VAL 75 75 10078 1 . GLU 76 76 10078 1 . GLN 77 77 10078 1 . ALA 78 78 10078 1 . THR 79 79 10078 1 . ALA 80 80 10078 1 . THR 81 81 10078 1 . TRP 82 82 10078 1 . LEU 83 83 10078 1 . LYS 84 84 10078 1 . ASP 85 85 10078 1 . ALA 86 86 10078 1 . THR 87 87 10078 1 . GLY 88 88 10078 1 . ASN 89 89 10078 1 . THR 90 90 10078 1 . PRO 91 91 10078 1 . PHE 92 92 10078 1 . MET 93 93 10078 1 . LEU 94 94 10078 1 . ILE 95 95 10078 1 . ALA 96 96 10078 1 . ARG 97 97 10078 1 . ASN 98 98 10078 1 . GLN 99 99 10078 1 . SER 100 100 10078 1 . SER 101 101 10078 1 . ASP 102 102 10078 1 . TRP 103 103 10078 1 . GLN 104 104 10078 1 . GLN 105 105 10078 1 . TYR 106 106 10078 1 . ASN 107 107 10078 1 . ILE 108 108 10078 1 . LYS 109 109 10078 1 . GLN 110 110 10078 1 . ASN 111 111 10078 1 . GLY 112 112 10078 1 . ASP 113 113 10078 1 . ASP 114 114 10078 1 . PHE 115 115 10078 1 . VAL 116 116 10078 1 . LEU 117 117 10078 1 . THR 118 118 10078 1 . PRO 119 119 10078 1 . LYS 120 120 10078 1 . ALA 121 121 10078 1 . SER 122 122 10078 1 . ASN 123 123 10078 1 . GLY 124 124 10078 1 . ASN 125 125 10078 1 . LEU 126 126 10078 1 . LYS 127 127 10078 1 . GLN 128 128 10078 1 . PHE 129 129 10078 1 . THR 130 130 10078 1 . ILE 131 131 10078 1 . ASN 132 132 10078 1 . VAL 133 133 10078 1 . GLY 134 134 10078 1 . ARG 135 135 10078 1 . ASP 136 136 10078 1 . GLY 137 137 10078 1 . THR 138 138 10078 1 . ILE 139 139 10078 1 . HIS 140 140 10078 1 . GLN 141 141 10078 1 . PHE 142 142 10078 1 . SER 143 143 10078 1 . ALA 144 144 10078 1 . VAL 145 145 10078 1 . GLU 146 146 10078 1 . GLN 147 147 10078 1 . ASP 148 148 10078 1 . ASP 149 149 10078 1 . GLN 150 150 10078 1 . ARG 151 151 10078 1 . SER 152 152 10078 1 . SER 153 153 10078 1 . TYR 154 154 10078 1 . GLN 155 155 10078 1 . LEU 156 156 10078 1 . LYS 157 157 10078 1 . SER 158 158 10078 1 . GLN 159 159 10078 1 . GLN 160 160 10078 1 . ASN 161 161 10078 1 . GLY 162 162 10078 1 . ALA 163 163 10078 1 . VAL 164 164 10078 1 . ASP 165 165 10078 1 . ALA 166 166 10078 1 . ALA 167 167 10078 1 . LYS 168 168 10078 1 . PHE 169 169 10078 1 . THR 170 170 10078 1 . PHE 171 171 10078 1 . THR 172 172 10078 1 . PRO 173 173 10078 1 . PRO 174 174 10078 1 . GLN 175 175 10078 1 . GLY 176 176 10078 1 . VAL 177 177 10078 1 . THR 178 178 10078 1 . VAL 179 179 10078 1 . ASP 180 180 10078 1 . ASP 181 181 10078 1 . GLN 182 182 10078 1 . ARG 183 183 10078 1 . LYS 184 184 10078 1 . LEU 185 185 10078 1 . GLU 186 186 10078 1 . HIS 187 187 10078 1 . HIS 188 188 10078 1 . HIS 189 189 10078 1 . HIS 190 190 10078 1 . HIS 191 191 10078 1 . HIS 192 192 10078 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 10078 _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 $LolA . 83333 . no . 'Escherichia coli K-12' . . Bacteria . Escherichia coli K12 . . . . . . . . . . . no . . . . . . . . 10078 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 10078 _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 $LolA . 'recombinant technology' . 'E. coli' . . Escherichia coli K12 . . . . . . . . . . . . . . . . . . . . . . 10078 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10078 _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 LolA '[U-2H; U-13C; U-15N]' . . 1 $LolA . protein . 0.5 1.0 mM . . . . 10078 1 2 'sodium phosphate' . . . . . . buffer 66 . . mM . . . . 10078 1 3 'sodium chloride' . . . . . . salt 100 . . mM . . . . 10078 1 4 D2O . . . . . . solvent 10 . . % . . . . 10078 1 5 H2O . . . . . . solvent 90 . . % . . . . 10078 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 10078 _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 6.95 0.20 pH 10078 1 temperature 310 0.1 K 10078 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10078 _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 10078 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data collection' 10078 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10078 _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 10078 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignments' 10078 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10078 _Software.ID 3 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 10078 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10078 _Software.ID 4 _Software.Name FELIX _Software.Version 2000 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 10078 4 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 10078 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance800 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 10078 _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 . . . . . . . . . . . . . . . . 10078 1 2 TROSY-HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10078 1 3 TROSY-HN(CO)CACB no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10078 1 4 TROSY-HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10078 1 5 TROSY-HN(CO)CA no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10078 1 6 TROSY-HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10078 1 7 TROSY-HN(CA)CO no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10078 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 10078 _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 10078 _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 10078 _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 10078 _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 10078 _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 10078 _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_ save_TROSY-HN(CA)CO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode TROSY-HN(CA)CO _NMR_spec_expt.Entry_ID 10078 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name TROSY-HN(CA)CO _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 10078 _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 . . . . . . . . . 10078 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1.0 . . . . . . . . . 10078 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10078 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 10078 _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 10078 1 2 TROSY-HNCACB 1 $sample_1 isotropic 10078 1 3 TROSY-HN(CO)CACB 1 $sample_1 isotropic 10078 1 4 TROSY-HNCA 1 $sample_1 isotropic 10078 1 5 TROSY-HN(CO)CA 1 $sample_1 isotropic 10078 1 6 TROSY-HNCO 1 $sample_1 isotropic 10078 1 7 TROSY-HN(CA)CO 1 $sample_1 isotropic 10078 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 4 4 ALA C C 13 178.940 0.125 . 1 . . . . 2 ALA C . 10078 1 2 . 1 1 4 4 ALA CA C 13 55.384 0.293 . 1 . . . . 2 ALA CA . 10078 1 3 . 1 1 4 4 ALA CB C 13 19.046 0.293 . 1 . . . . 2 ALA CB . 10078 1 4 . 1 1 5 5 ALA H H 1 8.246 0.004 . 1 . . . . 3 ALA H . 10078 1 5 . 1 1 5 5 ALA C C 13 180.495 0.125 . 1 . . . . 3 ALA C . 10078 1 6 . 1 1 5 5 ALA CA C 13 55.225 0.293 . 1 . . . . 3 ALA CA . 10078 1 7 . 1 1 5 5 ALA CB C 13 17.955 0.293 . 1 . . . . 3 ALA CB . 10078 1 8 . 1 1 5 5 ALA N N 15 118.413 0.172 . 1 . . . . 3 ALA N . 10078 1 9 . 1 1 6 6 SER H H 1 7.924 0.004 . 1 . . . . 4 SER H . 10078 1 10 . 1 1 6 6 SER C C 13 176.881 0.125 . 1 . . . . 4 SER C . 10078 1 11 . 1 1 6 6 SER CA C 13 61.182 0.293 . 1 . . . . 4 SER CA . 10078 1 12 . 1 1 6 6 SER CB C 13 62.278 0.293 . 1 . . . . 4 SER CB . 10078 1 13 . 1 1 6 6 SER N N 15 114.607 0.172 . 1 . . . . 4 SER N . 10078 1 14 . 1 1 7 7 ASP H H 1 8.033 0.004 . 1 . . . . 5 ASP H . 10078 1 15 . 1 1 7 7 ASP C C 13 177.661 0.125 . 1 . . . . 5 ASP C . 10078 1 16 . 1 1 7 7 ASP CA C 13 57.437 0.293 . 1 . . . . 5 ASP CA . 10078 1 17 . 1 1 7 7 ASP CB C 13 41.654 0.293 . 1 . . . . 5 ASP CB . 10078 1 18 . 1 1 7 7 ASP N N 15 125.145 0.172 . 1 . . . . 5 ASP N . 10078 1 19 . 1 1 8 8 LEU H H 1 8.045 0.004 . 1 . . . . 6 LEU H . 10078 1 20 . 1 1 8 8 LEU C C 13 177.114 0.125 . 1 . . . . 6 LEU C . 10078 1 21 . 1 1 8 8 LEU CA C 13 58.095 0.293 . 1 . . . . 6 LEU CA . 10078 1 22 . 1 1 8 8 LEU CB C 13 39.850 0.293 . 1 . . . . 6 LEU CB . 10078 1 23 . 1 1 8 8 LEU N N 15 120.663 0.172 . 1 . . . . 6 LEU N . 10078 1 24 . 1 1 9 9 LYS H H 1 7.153 0.004 . 1 . . . . 7 LYS H . 10078 1 25 . 1 1 9 9 LYS C C 13 180.233 0.125 . 1 . . . . 7 LYS C . 10078 1 26 . 1 1 9 9 LYS CA C 13 57.976 0.293 . 1 . . . . 7 LYS CA . 10078 1 27 . 1 1 9 9 LYS CB C 13 32.423 0.293 . 1 . . . . 7 LYS CB . 10078 1 28 . 1 1 9 9 LYS N N 15 116.567 0.172 . 1 . . . . 7 LYS N . 10078 1 29 . 1 1 10 10 SER H H 1 8.045 0.004 . 1 . . . . 8 SER H . 10078 1 30 . 1 1 10 10 SER C C 13 174.186 0.125 . 1 . . . . 8 SER C . 10078 1 31 . 1 1 10 10 SER CA C 13 61.511 0.293 . 1 . . . . 8 SER CA . 10078 1 32 . 1 1 10 10 SER CB C 13 62.617 0.293 . 1 . . . . 8 SER CB . 10078 1 33 . 1 1 10 10 SER N N 15 114.489 0.172 . 1 . . . . 8 SER N . 10078 1 34 . 1 1 11 11 ARG H H 1 8.182 0.004 . 1 . . . . 9 ARG H . 10078 1 35 . 1 1 11 11 ARG C C 13 178.985 0.125 . 1 . . . . 9 ARG C . 10078 1 36 . 1 1 11 11 ARG CA C 13 59.807 0.293 . 1 . . . . 9 ARG CA . 10078 1 37 . 1 1 11 11 ARG CB C 13 29.846 0.293 . 1 . . . . 9 ARG CB . 10078 1 38 . 1 1 11 11 ARG N N 15 122.362 0.172 . 1 . . . . 9 ARG N . 10078 1 39 . 1 1 12 12 LEU H H 1 7.610 0.004 . 1 . . . . 10 LEU H . 10078 1 40 . 1 1 12 12 LEU C C 13 178.660 0.125 . 1 . . . . 10 LEU C . 10078 1 41 . 1 1 12 12 LEU CA C 13 57.019 0.293 . 1 . . . . 10 LEU CA . 10078 1 42 . 1 1 12 12 LEU CB C 13 41.356 0.293 . 1 . . . . 10 LEU CB . 10078 1 43 . 1 1 12 12 LEU N N 15 117.754 0.172 . 1 . . . . 10 LEU N . 10078 1 44 . 1 1 13 13 ASP H H 1 7.833 0.004 . 1 . . . . 11 ASP H . 10078 1 45 . 1 1 13 13 ASP C C 13 177.479 0.125 . 1 . . . . 11 ASP C . 10078 1 46 . 1 1 13 13 ASP CA C 13 55.366 0.293 . 1 . . . . 11 ASP CA . 10078 1 47 . 1 1 13 13 ASP CB C 13 41.158 0.293 . 1 . . . . 11 ASP CB . 10078 1 48 . 1 1 13 13 ASP N N 15 117.585 0.172 . 1 . . . . 11 ASP N . 10078 1 49 . 1 1 14 14 LYS H H 1 7.244 0.004 . 1 . . . . 12 LYS H . 10078 1 50 . 1 1 14 14 LYS C C 13 176.831 0.125 . 1 . . . . 12 LYS C . 10078 1 51 . 1 1 14 14 LYS CA C 13 58.062 0.293 . 1 . . . . 12 LYS CA . 10078 1 52 . 1 1 14 14 LYS CB C 13 32.071 0.293 . 1 . . . . 12 LYS CB . 10078 1 53 . 1 1 14 14 LYS N N 15 119.438 0.172 . 1 . . . . 12 LYS N . 10078 1 54 . 1 1 15 15 VAL H H 1 7.416 0.004 . 1 . . . . 13 VAL H . 10078 1 55 . 1 1 15 15 VAL C C 13 174.923 0.125 . 1 . . . . 13 VAL C . 10078 1 56 . 1 1 15 15 VAL CA C 13 60.966 0.293 . 1 . . . . 13 VAL CA . 10078 1 57 . 1 1 15 15 VAL CB C 13 32.889 0.293 . 1 . . . . 13 VAL CB . 10078 1 58 . 1 1 15 15 VAL N N 15 117.230 0.172 . 1 . . . . 13 VAL N . 10078 1 59 . 1 1 16 16 SER C C 13 174.266 0.125 . 1 . . . . 14 SER C . 10078 1 60 . 1 1 16 16 SER CA C 13 60.075 0.293 . 1 . . . . 14 SER CA . 10078 1 61 . 1 1 16 16 SER CB C 13 63.871 0.293 . 1 . . . . 14 SER CB . 10078 1 62 . 1 1 17 17 SER H H 1 7.522 0.004 . 1 . . . . 15 SER H . 10078 1 63 . 1 1 17 17 SER C C 13 173.518 0.125 . 1 . . . . 15 SER C . 10078 1 64 . 1 1 17 17 SER CA C 13 57.107 0.293 . 1 . . . . 15 SER CA . 10078 1 65 . 1 1 17 17 SER CB C 13 65.012 0.293 . 1 . . . . 15 SER CB . 10078 1 66 . 1 1 17 17 SER N N 15 113.717 0.172 . 1 . . . . 15 SER N . 10078 1 67 . 1 1 18 18 PHE H H 1 8.772 0.004 . 1 . . . . 16 PHE H . 10078 1 68 . 1 1 18 18 PHE C C 13 172.030 0.125 . 1 . . . . 16 PHE C . 10078 1 69 . 1 1 18 18 PHE CA C 13 57.289 0.293 . 1 . . . . 16 PHE CA . 10078 1 70 . 1 1 18 18 PHE CB C 13 40.490 0.293 . 1 . . . . 16 PHE CB . 10078 1 71 . 1 1 18 18 PHE N N 15 118.896 0.172 . 1 . . . . 16 PHE N . 10078 1 72 . 1 1 19 19 HIS H H 1 8.513 0.004 . 1 . . . . 17 HIS H . 10078 1 73 . 1 1 19 19 HIS C C 13 173.625 0.125 . 1 . . . . 17 HIS C . 10078 1 74 . 1 1 19 19 HIS CA C 13 52.761 0.293 . 1 . . . . 17 HIS CA . 10078 1 75 . 1 1 19 19 HIS CB C 13 32.779 0.293 . 1 . . . . 17 HIS CB . 10078 1 76 . 1 1 19 19 HIS N N 15 117.753 0.172 . 1 . . . . 17 HIS N . 10078 1 77 . 1 1 20 20 ALA H H 1 9.682 0.004 . 1 . . . . 18 ALA H . 10078 1 78 . 1 1 20 20 ALA C C 13 174.277 0.125 . 1 . . . . 18 ALA C . 10078 1 79 . 1 1 20 20 ALA CA C 13 50.520 0.293 . 1 . . . . 18 ALA CA . 10078 1 80 . 1 1 20 20 ALA CB C 13 23.127 0.293 . 1 . . . . 18 ALA CB . 10078 1 81 . 1 1 20 20 ALA N N 15 131.881 0.172 . 1 . . . . 18 ALA N . 10078 1 82 . 1 1 21 21 SER H H 1 8.214 0.004 . 1 . . . . 19 SER H . 10078 1 83 . 1 1 21 21 SER C C 13 175.908 0.125 . 1 . . . . 19 SER C . 10078 1 84 . 1 1 21 21 SER CA C 13 56.351 0.293 . 1 . . . . 19 SER CA . 10078 1 85 . 1 1 21 21 SER CB C 13 64.824 0.293 . 1 . . . . 19 SER CB . 10078 1 86 . 1 1 21 21 SER N N 15 116.431 0.172 . 1 . . . . 19 SER N . 10078 1 87 . 1 1 22 22 PHE H H 1 9.297 0.004 . 1 . . . . 20 PHE H . 10078 1 88 . 1 1 22 22 PHE C C 13 176.675 0.125 . 1 . . . . 20 PHE C . 10078 1 89 . 1 1 22 22 PHE CA C 13 57.348 0.293 . 1 . . . . 20 PHE CA . 10078 1 90 . 1 1 22 22 PHE CB C 13 44.169 0.293 . 1 . . . . 20 PHE CB . 10078 1 91 . 1 1 22 22 PHE N N 15 121.388 0.172 . 1 . . . . 20 PHE N . 10078 1 92 . 1 1 23 23 THR H H 1 9.240 0.004 . 1 . . . . 21 THR H . 10078 1 93 . 1 1 23 23 THR C C 13 173.387 0.125 . 1 . . . . 21 THR C . 10078 1 94 . 1 1 23 23 THR CA C 13 61.909 0.293 . 1 . . . . 21 THR CA . 10078 1 95 . 1 1 23 23 THR CB C 13 69.991 0.293 . 1 . . . . 21 THR CB . 10078 1 96 . 1 1 23 23 THR N N 15 115.594 0.172 . 1 . . . . 21 THR N . 10078 1 97 . 1 1 24 24 GLN H H 1 8.558 0.004 . 1 . . . . 22 GLN H . 10078 1 98 . 1 1 24 24 GLN C C 13 174.501 0.125 . 1 . . . . 22 GLN C . 10078 1 99 . 1 1 24 24 GLN CA C 13 53.722 0.293 . 1 . . . . 22 GLN CA . 10078 1 100 . 1 1 24 24 GLN CB C 13 32.343 0.293 . 1 . . . . 22 GLN CB . 10078 1 101 . 1 1 24 24 GLN N N 15 125.983 0.172 . 1 . . . . 22 GLN N . 10078 1 102 . 1 1 25 25 LYS H H 1 8.867 0.004 . 1 . . . . 23 LYS H . 10078 1 103 . 1 1 25 25 LYS C C 13 175.336 0.125 . 1 . . . . 23 LYS C . 10078 1 104 . 1 1 25 25 LYS CA C 13 55.697 0.293 . 1 . . . . 23 LYS CA . 10078 1 105 . 1 1 25 25 LYS CB C 13 34.813 0.293 . 1 . . . . 23 LYS CB . 10078 1 106 . 1 1 25 25 LYS N N 15 128.449 0.172 . 1 . . . . 23 LYS N . 10078 1 107 . 1 1 26 26 VAL H H 1 8.908 0.004 . 1 . . . . 24 VAL H . 10078 1 108 . 1 1 26 26 VAL C C 13 173.808 0.125 . 1 . . . . 24 VAL C . 10078 1 109 . 1 1 26 26 VAL CA C 13 60.824 0.293 . 1 . . . . 24 VAL CA . 10078 1 110 . 1 1 26 26 VAL CB C 13 33.369 0.293 . 1 . . . . 24 VAL CB . 10078 1 111 . 1 1 26 26 VAL N N 15 127.950 0.172 . 1 . . . . 24 VAL N . 10078 1 112 . 1 1 27 27 THR H H 1 9.267 0.004 . 1 . . . . 25 THR H . 10078 1 113 . 1 1 27 27 THR C C 13 173.656 0.125 . 1 . . . . 25 THR C . 10078 1 114 . 1 1 27 27 THR CA C 13 59.502 0.293 . 1 . . . . 25 THR CA . 10078 1 115 . 1 1 27 27 THR CB C 13 71.531 0.293 . 1 . . . . 25 THR CB . 10078 1 116 . 1 1 27 27 THR N N 15 121.251 0.172 . 1 . . . . 25 THR N . 10078 1 117 . 1 1 28 28 ASP H H 1 8.554 0.004 . 1 . . . . 26 ASP H . 10078 1 118 . 1 1 28 28 ASP C C 13 178.628 0.125 . 1 . . . . 26 ASP C . 10078 1 119 . 1 1 28 28 ASP CA C 13 52.676 0.293 . 1 . . . . 26 ASP CA . 10078 1 120 . 1 1 28 28 ASP CB C 13 41.334 0.293 . 1 . . . . 26 ASP CB . 10078 1 121 . 1 1 28 28 ASP N N 15 121.758 0.172 . 1 . . . . 26 ASP N . 10078 1 122 . 1 1 29 29 GLY H H 1 8.776 0.004 . 1 . . . . 27 GLY H . 10078 1 123 . 1 1 29 29 GLY C C 13 175.271 0.125 . 1 . . . . 27 GLY C . 10078 1 124 . 1 1 29 29 GLY CA C 13 46.975 0.293 . 1 . . . . 27 GLY CA . 10078 1 125 . 1 1 29 29 GLY N N 15 107.717 0.172 . 1 . . . . 27 GLY N . 10078 1 126 . 1 1 30 30 SER H H 1 8.353 0.004 . 1 . . . . 28 SER H . 10078 1 127 . 1 1 30 30 SER C C 13 175.251 0.125 . 1 . . . . 28 SER C . 10078 1 128 . 1 1 30 30 SER CA C 13 58.646 0.293 . 1 . . . . 28 SER CA . 10078 1 129 . 1 1 30 30 SER CB C 13 64.212 0.293 . 1 . . . . 28 SER CB . 10078 1 130 . 1 1 30 30 SER N N 15 116.456 0.172 . 1 . . . . 28 SER N . 10078 1 131 . 1 1 31 31 GLY H H 1 8.214 0.004 . 1 . . . . 29 GLY H . 10078 1 132 . 1 1 31 31 GLY C C 13 173.677 0.125 . 1 . . . . 29 GLY C . 10078 1 133 . 1 1 31 31 GLY CA C 13 44.890 0.293 . 1 . . . . 29 GLY CA . 10078 1 134 . 1 1 31 31 GLY N N 15 111.267 0.172 . 1 . . . . 29 GLY N . 10078 1 135 . 1 1 32 32 ALA H H 1 7.987 0.004 . 1 . . . . 30 ALA H . 10078 1 136 . 1 1 32 32 ALA C C 13 177.072 0.125 . 1 . . . . 30 ALA C . 10078 1 137 . 1 1 32 32 ALA CA C 13 51.902 0.293 . 1 . . . . 30 ALA CA . 10078 1 138 . 1 1 32 32 ALA CB C 13 18.870 0.293 . 1 . . . . 30 ALA CB . 10078 1 139 . 1 1 32 32 ALA N N 15 125.171 0.172 . 1 . . . . 30 ALA N . 10078 1 140 . 1 1 33 33 ALA H H 1 8.326 0.004 . 1 . . . . 31 ALA H . 10078 1 141 . 1 1 33 33 ALA C C 13 177.563 0.125 . 1 . . . . 31 ALA C . 10078 1 142 . 1 1 33 33 ALA CA C 13 52.607 0.293 . 1 . . . . 31 ALA CA . 10078 1 143 . 1 1 33 33 ALA CB C 13 18.269 0.293 . 1 . . . . 31 ALA CB . 10078 1 144 . 1 1 33 33 ALA N N 15 123.507 0.172 . 1 . . . . 31 ALA N . 10078 1 145 . 1 1 34 34 VAL H H 1 8.622 0.004 . 1 . . . . 32 VAL H . 10078 1 146 . 1 1 34 34 VAL C C 13 176.069 0.125 . 1 . . . . 32 VAL C . 10078 1 147 . 1 1 34 34 VAL CA C 13 62.520 0.293 . 1 . . . . 32 VAL CA . 10078 1 148 . 1 1 34 34 VAL CB C 13 33.033 0.293 . 1 . . . . 32 VAL CB . 10078 1 149 . 1 1 34 34 VAL N N 15 122.238 0.172 . 1 . . . . 32 VAL N . 10078 1 150 . 1 1 35 35 GLN H H 1 7.825 0.004 . 1 . . . . 33 GLN H . 10078 1 151 . 1 1 35 35 GLN C C 13 173.921 0.125 . 1 . . . . 33 GLN C . 10078 1 152 . 1 1 35 35 GLN CA C 13 55.440 0.293 . 1 . . . . 33 GLN CA . 10078 1 153 . 1 1 35 35 GLN CB C 13 31.393 0.293 . 1 . . . . 33 GLN CB . 10078 1 154 . 1 1 35 35 GLN N N 15 118.565 0.172 . 1 . . . . 33 GLN N . 10078 1 155 . 1 1 36 36 GLU H H 1 8.434 0.004 . 1 . . . . 34 GLU H . 10078 1 156 . 1 1 36 36 GLU C C 13 175.664 0.125 . 1 . . . . 34 GLU C . 10078 1 157 . 1 1 36 36 GLU CA C 13 55.358 0.293 . 1 . . . . 34 GLU CA . 10078 1 158 . 1 1 36 36 GLU CB C 13 32.065 0.293 . 1 . . . . 34 GLU CB . 10078 1 159 . 1 1 36 36 GLU N N 15 123.669 0.172 . 1 . . . . 34 GLU N . 10078 1 160 . 1 1 37 37 GLY H H 1 8.904 0.004 . 1 . . . . 35 GLY H . 10078 1 161 . 1 1 37 37 GLY C C 13 173.537 0.125 . 1 . . . . 35 GLY C . 10078 1 162 . 1 1 37 37 GLY CA C 13 45.473 0.293 . 1 . . . . 35 GLY CA . 10078 1 163 . 1 1 37 37 GLY N N 15 110.442 0.172 . 1 . . . . 35 GLY N . 10078 1 164 . 1 1 38 38 GLN H H 1 8.544 0.004 . 1 . . . . 36 GLN H . 10078 1 165 . 1 1 38 38 GLN C C 13 173.902 0.125 . 1 . . . . 36 GLN C . 10078 1 166 . 1 1 38 38 GLN CA C 13 55.392 0.293 . 1 . . . . 36 GLN CA . 10078 1 167 . 1 1 38 38 GLN CB C 13 32.059 0.293 . 1 . . . . 36 GLN CB . 10078 1 168 . 1 1 38 38 GLN N N 15 120.710 0.172 . 1 . . . . 36 GLN N . 10078 1 169 . 1 1 39 39 GLY H H 1 8.513 0.004 . 1 . . . . 37 GLY H . 10078 1 170 . 1 1 39 39 GLY C C 13 171.000 0.125 . 1 . . . . 37 GLY C . 10078 1 171 . 1 1 39 39 GLY CA C 13 46.191 0.293 . 1 . . . . 37 GLY CA . 10078 1 172 . 1 1 39 39 GLY N N 15 108.246 0.172 . 1 . . . . 37 GLY N . 10078 1 173 . 1 1 40 40 ASP H H 1 8.372 0.004 . 1 . . . . 38 ASP H . 10078 1 174 . 1 1 40 40 ASP C C 13 172.256 0.125 . 1 . . . . 38 ASP C . 10078 1 175 . 1 1 40 40 ASP CA C 13 53.702 0.293 . 1 . . . . 38 ASP CA . 10078 1 176 . 1 1 40 40 ASP CB C 13 46.632 0.293 . 1 . . . . 38 ASP CB . 10078 1 177 . 1 1 40 40 ASP N N 15 121.191 0.172 . 1 . . . . 38 ASP N . 10078 1 178 . 1 1 41 41 LEU H H 1 9.464 0.004 . 1 . . . . 39 LEU H . 10078 1 179 . 1 1 41 41 LEU C C 13 174.696 0.125 . 1 . . . . 39 LEU C . 10078 1 180 . 1 1 41 41 LEU CA C 13 53.382 0.293 . 1 . . . . 39 LEU CA . 10078 1 181 . 1 1 41 41 LEU CB C 13 45.714 0.293 . 1 . . . . 39 LEU CB . 10078 1 182 . 1 1 41 41 LEU N N 15 122.391 0.172 . 1 . . . . 39 LEU N . 10078 1 183 . 1 1 42 42 TRP H H 1 10.058 0.004 . 1 . . . . 40 TRP H . 10078 1 184 . 1 1 42 42 TRP C C 13 175.922 0.125 . 1 . . . . 40 TRP C . 10078 1 185 . 1 1 42 42 TRP CA C 13 57.229 0.293 . 1 . . . . 40 TRP CA . 10078 1 186 . 1 1 42 42 TRP CB C 13 31.994 0.293 . 1 . . . . 40 TRP CB . 10078 1 187 . 1 1 42 42 TRP N N 15 127.943 0.172 . 1 . . . . 40 TRP N . 10078 1 188 . 1 1 43 43 VAL H H 1 8.685 0.004 . 1 . . . . 41 VAL H . 10078 1 189 . 1 1 43 43 VAL C C 13 174.232 0.125 . 1 . . . . 41 VAL C . 10078 1 190 . 1 1 43 43 VAL CA C 13 60.960 0.293 . 1 . . . . 41 VAL CA . 10078 1 191 . 1 1 43 43 VAL CB C 13 36.029 0.293 . 1 . . . . 41 VAL CB . 10078 1 192 . 1 1 43 43 VAL N N 15 122.838 0.172 . 1 . . . . 41 VAL N . 10078 1 193 . 1 1 44 44 LYS H H 1 8.041 0.004 . 1 . . . . 42 LYS H . 10078 1 194 . 1 1 44 44 LYS C C 13 173.940 0.125 . 1 . . . . 42 LYS C . 10078 1 195 . 1 1 44 44 LYS CA C 13 56.333 0.293 . 1 . . . . 42 LYS CA . 10078 1 196 . 1 1 44 44 LYS CB C 13 34.789 0.293 . 1 . . . . 42 LYS CB . 10078 1 197 . 1 1 44 44 LYS N N 15 127.097 0.172 . 1 . . . . 42 LYS N . 10078 1 198 . 1 1 45 45 ARG H H 1 8.672 0.004 . 1 . . . . 43 ARG H . 10078 1 199 . 1 1 45 45 ARG C C 13 175.915 0.125 . 1 . . . . 43 ARG C . 10078 1 200 . 1 1 45 45 ARG CA C 13 56.379 0.293 . 1 . . . . 43 ARG CA . 10078 1 201 . 1 1 45 45 ARG CB C 13 27.703 0.293 . 1 . . . . 43 ARG CB . 10078 1 202 . 1 1 45 45 ARG N N 15 124.766 0.172 . 1 . . . . 43 ARG N . 10078 1 203 . 1 1 46 46 PRO C C 13 177.188 0.125 . 1 . . . . 44 PRO C . 10078 1 204 . 1 1 46 46 PRO CA C 13 63.262 0.293 . 1 . . . . 44 PRO CA . 10078 1 205 . 1 1 46 46 PRO CB C 13 34.037 0.293 . 1 . . . . 44 PRO CB . 10078 1 206 . 1 1 47 47 ASN H H 1 7.823 0.004 . 1 . . . . 45 ASN H . 10078 1 207 . 1 1 47 47 ASN C C 13 172.943 0.125 . 1 . . . . 45 ASN C . 10078 1 208 . 1 1 47 47 ASN CA C 13 55.447 0.293 . 1 . . . . 45 ASN CA . 10078 1 209 . 1 1 47 47 ASN CB C 13 37.807 0.293 . 1 . . . . 45 ASN CB . 10078 1 210 . 1 1 47 47 ASN N N 15 113.291 0.172 . 1 . . . . 45 ASN N . 10078 1 211 . 1 1 48 48 LEU H H 1 7.705 0.004 . 1 . . . . 46 LEU H . 10078 1 212 . 1 1 48 48 LEU C C 13 176.797 0.125 . 1 . . . . 46 LEU C . 10078 1 213 . 1 1 48 48 LEU CA C 13 54.693 0.293 . 1 . . . . 46 LEU CA . 10078 1 214 . 1 1 48 48 LEU CB C 13 39.193 0.293 . 1 . . . . 46 LEU CB . 10078 1 215 . 1 1 48 48 LEU N N 15 121.902 0.172 . 1 . . . . 46 LEU N . 10078 1 216 . 1 1 49 49 PHE H H 1 7.763 0.004 . 1 . . . . 47 PHE H . 10078 1 217 . 1 1 49 49 PHE C C 13 172.901 0.125 . 1 . . . . 47 PHE C . 10078 1 218 . 1 1 49 49 PHE CA C 13 57.021 0.293 . 1 . . . . 47 PHE CA . 10078 1 219 . 1 1 49 49 PHE CB C 13 40.745 0.293 . 1 . . . . 47 PHE CB . 10078 1 220 . 1 1 49 49 PHE N N 15 115.853 0.172 . 1 . . . . 47 PHE N . 10078 1 221 . 1 1 50 50 ASN H H 1 9.640 0.004 . 1 . . . . 48 ASN H . 10078 1 222 . 1 1 50 50 ASN C C 13 174.174 0.125 . 1 . . . . 48 ASN C . 10078 1 223 . 1 1 50 50 ASN CA C 13 53.037 0.293 . 1 . . . . 48 ASN CA . 10078 1 224 . 1 1 50 50 ASN CB C 13 41.161 0.293 . 1 . . . . 48 ASN CB . 10078 1 225 . 1 1 50 50 ASN N N 15 121.337 0.172 . 1 . . . . 48 ASN N . 10078 1 226 . 1 1 51 51 TRP H H 1 10.025 0.004 . 1 . . . . 49 TRP H . 10078 1 227 . 1 1 51 51 TRP C C 13 173.363 0.125 . 1 . . . . 49 TRP C . 10078 1 228 . 1 1 51 51 TRP CA C 13 55.482 0.293 . 1 . . . . 49 TRP CA . 10078 1 229 . 1 1 51 51 TRP CB C 13 32.164 0.293 . 1 . . . . 49 TRP CB . 10078 1 230 . 1 1 51 51 TRP N N 15 129.286 0.172 . 1 . . . . 49 TRP N . 10078 1 231 . 1 1 52 52 HIS H H 1 9.214 0.004 . 1 . . . . 50 HIS H . 10078 1 232 . 1 1 52 52 HIS C C 13 175.185 0.125 . 1 . . . . 50 HIS C . 10078 1 233 . 1 1 52 52 HIS CA C 13 52.253 0.293 . 1 . . . . 50 HIS CA . 10078 1 234 . 1 1 52 52 HIS CB C 13 32.776 0.293 . 1 . . . . 50 HIS CB . 10078 1 235 . 1 1 52 52 HIS N N 15 129.836 0.172 . 1 . . . . 50 HIS N . 10078 1 236 . 1 1 53 53 MET H H 1 8.620 0.004 . 1 . . . . 51 MET H . 10078 1 237 . 1 1 53 53 MET C C 13 175.671 0.125 . 1 . . . . 51 MET C . 10078 1 238 . 1 1 53 53 MET CA C 13 55.404 0.293 . 1 . . . . 51 MET CA . 10078 1 239 . 1 1 53 53 MET CB C 13 33.117 0.293 . 1 . . . . 51 MET CB . 10078 1 240 . 1 1 53 53 MET N N 15 126.324 0.172 . 1 . . . . 51 MET N . 10078 1 241 . 1 1 54 54 THR H H 1 8.326 0.004 . 1 . . . . 52 THR H . 10078 1 242 . 1 1 54 54 THR C C 13 174.659 0.125 . 1 . . . . 52 THR C . 10078 1 243 . 1 1 54 54 THR CA C 13 61.974 0.293 . 1 . . . . 52 THR CA . 10078 1 244 . 1 1 54 54 THR CB C 13 69.659 0.293 . 1 . . . . 52 THR CB . 10078 1 245 . 1 1 54 54 THR N N 15 110.630 0.172 . 1 . . . . 52 THR N . 10078 1 246 . 1 1 55 55 GLN H H 1 7.713 0.004 . 1 . . . . 53 GLN H . 10078 1 247 . 1 1 55 55 GLN C C 13 174.274 0.125 . 1 . . . . 53 GLN C . 10078 1 248 . 1 1 55 55 GLN CA C 13 53.388 0.293 . 1 . . . . 53 GLN CA . 10078 1 249 . 1 1 55 55 GLN CB C 13 30.775 0.293 . 1 . . . . 53 GLN CB . 10078 1 250 . 1 1 55 55 GLN N N 15 119.487 0.172 . 1 . . . . 53 GLN N . 10078 1 251 . 1 1 56 56 PRO C C 13 175.309 0.125 . 1 . . . . 54 PRO C . 10078 1 252 . 1 1 56 56 PRO CA C 13 63.926 0.293 . 1 . . . . 54 PRO CA . 10078 1 253 . 1 1 56 56 PRO CB C 13 33.381 0.293 . 1 . . . . 54 PRO CB . 10078 1 254 . 1 1 57 57 ASP H H 1 7.214 0.004 . 1 . . . . 55 ASP H . 10078 1 255 . 1 1 57 57 ASP C C 13 177.503 0.125 . 1 . . . . 55 ASP C . 10078 1 256 . 1 1 57 57 ASP CA C 13 52.534 0.293 . 1 . . . . 55 ASP CA . 10078 1 257 . 1 1 57 57 ASP CB C 13 43.245 0.293 . 1 . . . . 55 ASP CB . 10078 1 258 . 1 1 57 57 ASP N N 15 119.879 0.172 . 1 . . . . 55 ASP N . 10078 1 259 . 1 1 58 58 GLU H H 1 8.151 0.004 . 1 . . . . 56 GLU H . 10078 1 260 . 1 1 58 58 GLU C C 13 176.395 0.125 . 1 . . . . 56 GLU C . 10078 1 261 . 1 1 58 58 GLU CA C 13 55.519 0.293 . 1 . . . . 56 GLU CA . 10078 1 262 . 1 1 58 58 GLU CB C 13 29.837 0.293 . 1 . . . . 56 GLU CB . 10078 1 263 . 1 1 58 58 GLU N N 15 122.201 0.172 . 1 . . . . 56 GLU N . 10078 1 264 . 1 1 59 59 SER H H 1 8.309 0.004 . 1 . . . . 57 SER H . 10078 1 265 . 1 1 59 59 SER C C 13 172.391 0.125 . 1 . . . . 57 SER C . 10078 1 266 . 1 1 59 59 SER CA C 13 58.373 0.293 . 1 . . . . 57 SER CA . 10078 1 267 . 1 1 59 59 SER CB C 13 65.351 0.293 . 1 . . . . 57 SER CB . 10078 1 268 . 1 1 59 59 SER N N 15 118.336 0.172 . 1 . . . . 57 SER N . 10078 1 269 . 1 1 60 60 ILE H H 1 8.558 0.004 . 1 . . . . 58 ILE H . 10078 1 270 . 1 1 60 60 ILE C C 13 173.267 0.125 . 1 . . . . 58 ILE C . 10078 1 271 . 1 1 60 60 ILE CA C 13 61.162 0.293 . 1 . . . . 58 ILE CA . 10078 1 272 . 1 1 60 60 ILE CB C 13 41.825 0.293 . 1 . . . . 58 ILE CB . 10078 1 273 . 1 1 60 60 ILE N N 15 122.789 0.172 . 1 . . . . 58 ILE N . 10078 1 274 . 1 1 61 61 LEU H H 1 9.127 0.004 . 1 . . . . 59 LEU H . 10078 1 275 . 1 1 61 61 LEU C C 13 175.142 0.125 . 1 . . . . 59 LEU C . 10078 1 276 . 1 1 61 61 LEU CA C 13 53.743 0.293 . 1 . . . . 59 LEU CA . 10078 1 277 . 1 1 61 61 LEU CB C 13 45.463 0.293 . 1 . . . . 59 LEU CB . 10078 1 278 . 1 1 61 61 LEU N N 15 130.631 0.172 . 1 . . . . 59 LEU N . 10078 1 279 . 1 1 62 62 VAL H H 1 9.217 0.004 . 1 . . . . 60 VAL H . 10078 1 280 . 1 1 62 62 VAL C C 13 174.238 0.125 . 1 . . . . 60 VAL C . 10078 1 281 . 1 1 62 62 VAL CA C 13 59.791 0.293 . 1 . . . . 60 VAL CA . 10078 1 282 . 1 1 62 62 VAL CB C 13 35.248 0.293 . 1 . . . . 60 VAL CB . 10078 1 283 . 1 1 62 62 VAL N N 15 123.545 0.172 . 1 . . . . 60 VAL N . 10078 1 284 . 1 1 63 63 SER H H 1 8.621 0.004 . 1 . . . . 61 SER H . 10078 1 285 . 1 1 63 63 SER C C 13 174.789 0.125 . 1 . . . . 61 SER C . 10078 1 286 . 1 1 63 63 SER CA C 13 54.924 0.293 . 1 . . . . 61 SER CA . 10078 1 287 . 1 1 63 63 SER CB C 13 64.891 0.293 . 1 . . . . 61 SER CB . 10078 1 288 . 1 1 63 63 SER N N 15 120.583 0.172 . 1 . . . . 61 SER N . 10078 1 289 . 1 1 64 64 ASP H H 1 8.128 0.004 . 1 . . . . 62 ASP H . 10078 1 290 . 1 1 64 64 ASP C C 13 177.958 0.125 . 1 . . . . 62 ASP C . 10078 1 291 . 1 1 64 64 ASP CA C 13 53.089 0.293 . 1 . . . . 62 ASP CA . 10078 1 292 . 1 1 64 64 ASP CB C 13 41.718 0.293 . 1 . . . . 62 ASP CB . 10078 1 293 . 1 1 64 64 ASP N N 15 124.937 0.172 . 1 . . . . 62 ASP N . 10078 1 294 . 1 1 65 65 GLY H H 1 8.415 0.004 . 1 . . . . 63 GLY H . 10078 1 295 . 1 1 65 65 GLY C C 13 173.397 0.125 . 1 . . . . 63 GLY C . 10078 1 296 . 1 1 65 65 GLY CA C 13 45.196 0.293 . 1 . . . . 63 GLY CA . 10078 1 297 . 1 1 65 65 GLY N N 15 109.492 0.172 . 1 . . . . 63 GLY N . 10078 1 298 . 1 1 66 66 LYS H H 1 8.809 0.004 . 1 . . . . 64 LYS H . 10078 1 299 . 1 1 66 66 LYS C C 13 176.533 0.125 . 1 . . . . 64 LYS C . 10078 1 300 . 1 1 66 66 LYS CA C 13 58.361 0.293 . 1 . . . . 64 LYS CA . 10078 1 301 . 1 1 66 66 LYS CB C 13 35.184 0.293 . 1 . . . . 64 LYS CB . 10078 1 302 . 1 1 66 66 LYS N N 15 121.887 0.172 . 1 . . . . 64 LYS N . 10078 1 303 . 1 1 67 67 THR H H 1 10.496 0.004 . 1 . . . . 65 THR H . 10078 1 304 . 1 1 67 67 THR C C 13 171.369 0.125 . 1 . . . . 65 THR C . 10078 1 305 . 1 1 67 67 THR CA C 13 63.398 0.293 . 1 . . . . 65 THR CA . 10078 1 306 . 1 1 67 67 THR CB C 13 69.883 0.293 . 1 . . . . 65 THR CB . 10078 1 307 . 1 1 67 67 THR N N 15 125.678 0.172 . 1 . . . . 65 THR N . 10078 1 308 . 1 1 68 68 LEU H H 1 8.799 0.004 . 1 . . . . 66 LEU H . 10078 1 309 . 1 1 68 68 LEU C C 13 174.889 0.125 . 1 . . . . 66 LEU C . 10078 1 310 . 1 1 68 68 LEU CA C 13 53.006 0.293 . 1 . . . . 66 LEU CA . 10078 1 311 . 1 1 68 68 LEU CB C 13 43.721 0.293 . 1 . . . . 66 LEU CB . 10078 1 312 . 1 1 68 68 LEU N N 15 127.115 0.172 . 1 . . . . 66 LEU N . 10078 1 313 . 1 1 69 69 TRP H H 1 9.771 0.004 . 1 . . . . 67 TRP H . 10078 1 314 . 1 1 69 69 TRP C C 13 175.165 0.125 . 1 . . . . 67 TRP C . 10078 1 315 . 1 1 69 69 TRP N N 15 129.785 0.172 . 1 . . . . 67 TRP N . 10078 1 316 . 1 1 70 70 PHE H H 1 8.891 0.004 . 1 . . . . 68 PHE H . 10078 1 317 . 1 1 70 70 PHE C C 13 174.763 0.125 . 1 . . . . 68 PHE C . 10078 1 318 . 1 1 70 70 PHE CA C 13 55.491 0.293 . 1 . . . . 68 PHE CA . 10078 1 319 . 1 1 70 70 PHE CB C 13 41.091 0.293 . 1 . . . . 68 PHE CB . 10078 1 320 . 1 1 70 70 PHE N N 15 121.091 0.172 . 1 . . . . 68 PHE N . 10078 1 321 . 1 1 71 71 TYR H H 1 9.242 0.004 . 1 . . . . 69 TYR H . 10078 1 322 . 1 1 71 71 TYR C C 13 172.039 0.125 . 1 . . . . 69 TYR C . 10078 1 323 . 1 1 71 71 TYR CA C 13 54.328 0.293 . 1 . . . . 69 TYR CA . 10078 1 324 . 1 1 71 71 TYR CB C 13 40.736 0.293 . 1 . . . . 69 TYR CB . 10078 1 325 . 1 1 71 71 TYR N N 15 127.971 0.172 . 1 . . . . 69 TYR N . 10078 1 326 . 1 1 72 72 ASN H H 1 8.056 0.004 . 1 . . . . 70 ASN H . 10078 1 327 . 1 1 72 72 ASN CA C 13 49.045 0.293 . 1 . . . . 70 ASN CA . 10078 1 328 . 1 1 72 72 ASN CB C 13 40.244 0.293 . 1 . . . . 70 ASN CB . 10078 1 329 . 1 1 72 72 ASN N N 15 126.522 0.172 . 1 . . . . 70 ASN N . 10078 1 330 . 1 1 73 73 PRO C C 13 178.414 0.125 . 1 . . . . 71 PRO C . 10078 1 331 . 1 1 73 73 PRO CA C 13 63.459 0.293 . 1 . . . . 71 PRO CA . 10078 1 332 . 1 1 73 73 PRO CB C 13 31.252 0.293 . 1 . . . . 71 PRO CB . 10078 1 333 . 1 1 74 74 PHE H H 1 8.232 0.004 . 1 . . . . 72 PHE H . 10078 1 334 . 1 1 74 74 PHE C C 13 177.181 0.125 . 1 . . . . 72 PHE C . 10078 1 335 . 1 1 74 74 PHE CA C 13 60.443 0.293 . 1 . . . . 72 PHE CA . 10078 1 336 . 1 1 74 74 PHE CB C 13 38.526 0.293 . 1 . . . . 72 PHE CB . 10078 1 337 . 1 1 74 74 PHE N N 15 118.686 0.172 . 1 . . . . 72 PHE N . 10078 1 338 . 1 1 75 75 VAL H H 1 6.889 0.004 . 1 . . . . 73 VAL H . 10078 1 339 . 1 1 75 75 VAL C C 13 175.260 0.125 . 1 . . . . 73 VAL C . 10078 1 340 . 1 1 75 75 VAL CA C 13 60.513 0.293 . 1 . . . . 73 VAL CA . 10078 1 341 . 1 1 75 75 VAL CB C 13 31.213 0.293 . 1 . . . . 73 VAL CB . 10078 1 342 . 1 1 75 75 VAL N N 15 109.345 0.172 . 1 . . . . 73 VAL N . 10078 1 343 . 1 1 76 76 GLU H H 1 7.737 0.004 . 1 . . . . 74 GLU H . 10078 1 344 . 1 1 76 76 GLU C C 13 175.121 0.125 . 1 . . . . 74 GLU C . 10078 1 345 . 1 1 76 76 GLU CA C 13 57.066 0.293 . 1 . . . . 74 GLU CA . 10078 1 346 . 1 1 76 76 GLU CB C 13 26.622 0.293 . 1 . . . . 74 GLU CB . 10078 1 347 . 1 1 76 76 GLU N N 15 117.572 0.172 . 1 . . . . 74 GLU N . 10078 1 348 . 1 1 77 77 GLN H H 1 7.409 0.004 . 1 . . . . 75 GLN H . 10078 1 349 . 1 1 77 77 GLN C C 13 174.425 0.125 . 1 . . . . 75 GLN C . 10078 1 350 . 1 1 77 77 GLN CA C 13 54.731 0.293 . 1 . . . . 75 GLN CA . 10078 1 351 . 1 1 77 77 GLN CB C 13 32.606 0.293 . 1 . . . . 75 GLN CB . 10078 1 352 . 1 1 77 77 GLN N N 15 116.869 0.172 . 1 . . . . 75 GLN N . 10078 1 353 . 1 1 78 78 ALA H H 1 8.920 0.004 . 1 . . . . 76 ALA H . 10078 1 354 . 1 1 78 78 ALA C C 13 176.023 0.125 . 1 . . . . 76 ALA C . 10078 1 355 . 1 1 78 78 ALA CA C 13 50.295 0.293 . 1 . . . . 76 ALA CA . 10078 1 356 . 1 1 78 78 ALA CB C 13 22.646 0.293 . 1 . . . . 76 ALA CB . 10078 1 357 . 1 1 78 78 ALA N N 15 125.924 0.172 . 1 . . . . 76 ALA N . 10078 1 358 . 1 1 79 79 THR C C 13 172.748 0.125 . 1 . . . . 77 THR C . 10078 1 359 . 1 1 79 79 THR CA C 13 61.074 0.293 . 1 . . . . 77 THR CA . 10078 1 360 . 1 1 79 79 THR CB C 13 71.810 0.293 . 1 . . . . 77 THR CB . 10078 1 361 . 1 1 80 80 ALA H H 1 8.120 0.004 . 1 . . . . 78 ALA H . 10078 1 362 . 1 1 80 80 ALA C C 13 175.429 0.125 . 1 . . . . 78 ALA C . 10078 1 363 . 1 1 80 80 ALA CA C 13 50.188 0.293 . 1 . . . . 78 ALA CA . 10078 1 364 . 1 1 80 80 ALA CB C 13 19.981 0.293 . 1 . . . . 78 ALA CB . 10078 1 365 . 1 1 80 80 ALA N N 15 127.253 0.172 . 1 . . . . 78 ALA N . 10078 1 366 . 1 1 81 81 THR H H 1 8.093 0.004 . 1 . . . . 79 THR H . 10078 1 367 . 1 1 81 81 THR C C 13 173.707 0.125 . 1 . . . . 79 THR C . 10078 1 368 . 1 1 81 81 THR CA C 13 59.741 0.293 . 1 . . . . 79 THR CA . 10078 1 369 . 1 1 81 81 THR CB C 13 71.873 0.293 . 1 . . . . 79 THR CB . 10078 1 370 . 1 1 81 81 THR N N 15 113.829 0.172 . 1 . . . . 79 THR N . 10078 1 371 . 1 1 82 82 TRP H H 1 8.916 0.004 . 1 . . . . 80 TRP H . 10078 1 372 . 1 1 82 82 TRP C C 13 178.793 0.125 . 1 . . . . 80 TRP C . 10078 1 373 . 1 1 82 82 TRP CA C 13 56.668 0.293 . 1 . . . . 80 TRP CA . 10078 1 374 . 1 1 82 82 TRP CB C 13 29.573 0.293 . 1 . . . . 80 TRP CB . 10078 1 375 . 1 1 82 82 TRP N N 15 123.651 0.172 . 1 . . . . 80 TRP N . 10078 1 376 . 1 1 83 83 LEU H H 1 8.862 0.004 . 1 . . . . 81 LEU H . 10078 1 377 . 1 1 83 83 LEU C C 13 179.027 0.125 . 1 . . . . 81 LEU C . 10078 1 378 . 1 1 83 83 LEU CA C 13 58.313 0.293 . 1 . . . . 81 LEU CA . 10078 1 379 . 1 1 83 83 LEU CB C 13 41.095 0.293 . 1 . . . . 81 LEU CB . 10078 1 380 . 1 1 83 83 LEU N N 15 126.967 0.172 . 1 . . . . 81 LEU N . 10078 1 381 . 1 1 84 84 LYS H H 1 8.296 0.004 . 1 . . . . 82 LYS H . 10078 1 382 . 1 1 84 84 LYS C C 13 176.300 0.125 . 1 . . . . 82 LYS C . 10078 1 383 . 1 1 84 84 LYS CA C 13 57.868 0.293 . 1 . . . . 82 LYS CA . 10078 1 384 . 1 1 84 84 LYS CB C 13 30.858 0.293 . 1 . . . . 82 LYS CB . 10078 1 385 . 1 1 84 84 LYS N N 15 114.878 0.172 . 1 . . . . 82 LYS N . 10078 1 386 . 1 1 85 85 ASP H H 1 7.490 0.004 . 1 . . . . 83 ASP H . 10078 1 387 . 1 1 85 85 ASP C C 13 175.971 0.125 . 1 . . . . 83 ASP C . 10078 1 388 . 1 1 85 85 ASP CA C 13 54.482 0.293 . 1 . . . . 83 ASP CA . 10078 1 389 . 1 1 85 85 ASP CB C 13 41.910 0.293 . 1 . . . . 83 ASP CB . 10078 1 390 . 1 1 85 85 ASP N N 15 118.858 0.172 . 1 . . . . 83 ASP N . 10078 1 391 . 1 1 86 86 ALA H H 1 7.524 0.004 . 1 . . . . 84 ALA H . 10078 1 392 . 1 1 86 86 ALA C C 13 177.598 0.125 . 1 . . . . 84 ALA C . 10078 1 393 . 1 1 86 86 ALA CA C 13 52.600 0.293 . 1 . . . . 84 ALA CA . 10078 1 394 . 1 1 86 86 ALA CB C 13 19.082 0.293 . 1 . . . . 84 ALA CB . 10078 1 395 . 1 1 86 86 ALA N N 15 124.435 0.172 . 1 . . . . 84 ALA N . 10078 1 396 . 1 1 87 87 THR H H 1 8.157 0.004 . 1 . . . . 85 THR H . 10078 1 397 . 1 1 87 87 THR C C 13 175.063 0.125 . 1 . . . . 85 THR C . 10078 1 398 . 1 1 87 87 THR CA C 13 61.431 0.293 . 1 . . . . 85 THR CA . 10078 1 399 . 1 1 87 87 THR CB C 13 69.871 0.293 . 1 . . . . 85 THR CB . 10078 1 400 . 1 1 87 87 THR N N 15 114.106 0.172 . 1 . . . . 85 THR N . 10078 1 401 . 1 1 88 88 GLY H H 1 8.293 0.004 . 1 . . . . 86 GLY H . 10078 1 402 . 1 1 88 88 GLY C C 13 173.760 0.125 . 1 . . . . 86 GLY C . 10078 1 403 . 1 1 88 88 GLY CA C 13 45.306 0.293 . 1 . . . . 86 GLY CA . 10078 1 404 . 1 1 88 88 GLY N N 15 110.415 0.172 . 1 . . . . 86 GLY N . 10078 1 405 . 1 1 91 91 PRO C C 13 176.167 0.125 . 1 . . . . 89 PRO C . 10078 1 406 . 1 1 91 91 PRO CA C 13 64.862 0.293 . 1 . . . . 89 PRO CA . 10078 1 407 . 1 1 91 91 PRO CB C 13 30.826 0.293 . 1 . . . . 89 PRO CB . 10078 1 408 . 1 1 92 92 PHE H H 1 5.870 0.004 . 1 . . . . 90 PHE H . 10078 1 409 . 1 1 92 92 PHE C C 13 176.539 0.125 . 1 . . . . 90 PHE C . 10078 1 410 . 1 1 92 92 PHE CA C 13 58.921 0.293 . 1 . . . . 90 PHE CA . 10078 1 411 . 1 1 92 92 PHE CB C 13 37.021 0.293 . 1 . . . . 90 PHE CB . 10078 1 412 . 1 1 92 92 PHE N N 15 111.643 0.172 . 1 . . . . 90 PHE N . 10078 1 413 . 1 1 93 93 MET H H 1 6.761 0.004 . 1 . . . . 91 MET H . 10078 1 414 . 1 1 93 93 MET C C 13 178.186 0.125 . 1 . . . . 91 MET C . 10078 1 415 . 1 1 93 93 MET CA C 13 57.257 0.293 . 1 . . . . 91 MET CA . 10078 1 416 . 1 1 93 93 MET CB C 13 31.283 0.293 . 1 . . . . 91 MET CB . 10078 1 417 . 1 1 93 93 MET N N 15 116.732 0.172 . 1 . . . . 91 MET N . 10078 1 418 . 1 1 94 94 LEU H H 1 7.292 0.004 . 1 . . . . 92 LEU H . 10078 1 419 . 1 1 94 94 LEU C C 13 179.426 0.125 . 1 . . . . 92 LEU C . 10078 1 420 . 1 1 94 94 LEU CA C 13 57.697 0.293 . 1 . . . . 92 LEU CA . 10078 1 421 . 1 1 94 94 LEU CB C 13 39.932 0.293 . 1 . . . . 92 LEU CB . 10078 1 422 . 1 1 94 94 LEU N N 15 118.346 0.172 . 1 . . . . 92 LEU N . 10078 1 423 . 1 1 95 95 ILE H H 1 7.133 0.004 . 1 . . . . 93 ILE H . 10078 1 424 . 1 1 95 95 ILE C C 13 177.306 0.125 . 1 . . . . 93 ILE C . 10078 1 425 . 1 1 95 95 ILE CA C 13 64.834 0.293 . 1 . . . . 93 ILE CA . 10078 1 426 . 1 1 95 95 ILE CB C 13 38.031 0.293 . 1 . . . . 93 ILE CB . 10078 1 427 . 1 1 95 95 ILE N N 15 116.063 0.172 . 1 . . . . 93 ILE N . 10078 1 428 . 1 1 96 96 ALA H H 1 7.850 0.004 . 1 . . . . 94 ALA H . 10078 1 429 . 1 1 96 96 ALA C C 13 178.424 0.125 . 1 . . . . 94 ALA C . 10078 1 430 . 1 1 96 96 ALA CA C 13 54.817 0.293 . 1 . . . . 94 ALA CA . 10078 1 431 . 1 1 96 96 ALA CB C 13 18.226 0.293 . 1 . . . . 94 ALA CB . 10078 1 432 . 1 1 96 96 ALA N N 15 121.281 0.172 . 1 . . . . 94 ALA N . 10078 1 433 . 1 1 97 97 ARG H H 1 7.821 0.004 . 1 . . . . 95 ARG H . 10078 1 434 . 1 1 97 97 ARG C C 13 176.755 0.125 . 1 . . . . 95 ARG C . 10078 1 435 . 1 1 97 97 ARG CA C 13 58.357 0.293 . 1 . . . . 95 ARG CA . 10078 1 436 . 1 1 97 97 ARG CB C 13 30.471 0.293 . 1 . . . . 95 ARG CB . 10078 1 437 . 1 1 97 97 ARG N N 15 115.602 0.172 . 1 . . . . 95 ARG N . 10078 1 438 . 1 1 98 98 ASN H H 1 7.752 0.004 . 1 . . . . 96 ASN H . 10078 1 439 . 1 1 98 98 ASN C C 13 173.664 0.125 . 1 . . . . 96 ASN C . 10078 1 440 . 1 1 98 98 ASN CA C 13 53.803 0.293 . 1 . . . . 96 ASN CA . 10078 1 441 . 1 1 98 98 ASN CB C 13 38.168 0.293 . 1 . . . . 96 ASN CB . 10078 1 442 . 1 1 98 98 ASN N N 15 117.903 0.172 . 1 . . . . 96 ASN N . 10078 1 443 . 1 1 99 99 GLN H H 1 8.803 0.004 . 1 . . . . 97 GLN H . 10078 1 444 . 1 1 99 99 GLN C C 13 177.156 0.125 . 1 . . . . 97 GLN C . 10078 1 445 . 1 1 99 99 GLN CA C 13 53.852 0.293 . 1 . . . . 97 GLN CA . 10078 1 446 . 1 1 99 99 GLN CB C 13 29.903 0.293 . 1 . . . . 97 GLN CB . 10078 1 447 . 1 1 99 99 GLN N N 15 117.855 0.172 . 1 . . . . 97 GLN N . 10078 1 448 . 1 1 101 101 SER C C 13 176.614 0.125 . 1 . . . . 99 SER C . 10078 1 449 . 1 1 101 101 SER CA C 13 60.792 0.293 . 1 . . . . 99 SER CA . 10078 1 450 . 1 1 101 101 SER CB C 13 61.636 0.293 . 1 . . . . 99 SER CB . 10078 1 451 . 1 1 102 102 ASP H H 1 7.044 0.004 . 1 . . . . 100 ASP H . 10078 1 452 . 1 1 102 102 ASP C C 13 178.931 0.125 . 1 . . . . 100 ASP C . 10078 1 453 . 1 1 102 102 ASP CA C 13 56.598 0.293 . 1 . . . . 100 ASP CA . 10078 1 454 . 1 1 102 102 ASP CB C 13 39.280 0.293 . 1 . . . . 100 ASP CB . 10078 1 455 . 1 1 102 102 ASP N N 15 122.062 0.172 . 1 . . . . 100 ASP N . 10078 1 456 . 1 1 103 103 TRP H H 1 7.297 0.004 . 1 . . . . 101 TRP H . 10078 1 457 . 1 1 103 103 TRP C C 13 178.518 0.125 . 1 . . . . 101 TRP C . 10078 1 458 . 1 1 103 103 TRP CA C 13 58.700 0.293 . 1 . . . . 101 TRP CA . 10078 1 459 . 1 1 103 103 TRP CB C 13 29.557 0.293 . 1 . . . . 101 TRP CB . 10078 1 460 . 1 1 103 103 TRP N N 15 118.892 0.172 . 1 . . . . 101 TRP N . 10078 1 461 . 1 1 104 104 GLN H H 1 7.934 0.004 . 1 . . . . 102 GLN H . 10078 1 462 . 1 1 104 104 GLN C C 13 176.447 0.125 . 1 . . . . 102 GLN C . 10078 1 463 . 1 1 104 104 GLN CA C 13 57.140 0.293 . 1 . . . . 102 GLN CA . 10078 1 464 . 1 1 104 104 GLN CB C 13 27.975 0.293 . 1 . . . . 102 GLN CB . 10078 1 465 . 1 1 104 104 GLN N N 15 113.543 0.172 . 1 . . . . 102 GLN N . 10078 1 466 . 1 1 105 105 GLN H H 1 7.669 0.004 . 1 . . . . 103 GLN H . 10078 1 467 . 1 1 105 105 GLN C C 13 174.690 0.125 . 1 . . . . 103 GLN C . 10078 1 468 . 1 1 105 105 GLN CA C 13 55.742 0.293 . 1 . . . . 103 GLN CA . 10078 1 469 . 1 1 105 105 GLN CB C 13 27.572 0.293 . 1 . . . . 103 GLN CB . 10078 1 470 . 1 1 105 105 GLN N N 15 116.005 0.172 . 1 . . . . 103 GLN N . 10078 1 471 . 1 1 106 106 TYR H H 1 8.017 0.004 . 1 . . . . 104 TYR H . 10078 1 472 . 1 1 106 106 TYR C C 13 175.053 0.125 . 1 . . . . 104 TYR C . 10078 1 473 . 1 1 106 106 TYR CA C 13 57.383 0.293 . 1 . . . . 104 TYR CA . 10078 1 474 . 1 1 106 106 TYR CB C 13 40.766 0.293 . 1 . . . . 104 TYR CB . 10078 1 475 . 1 1 106 106 TYR N N 15 118.603 0.172 . 1 . . . . 104 TYR N . 10078 1 476 . 1 1 107 107 ASN H H 1 9.463 0.004 . 1 . . . . 105 ASN H . 10078 1 477 . 1 1 107 107 ASN C C 13 175.330 0.125 . 1 . . . . 105 ASN C . 10078 1 478 . 1 1 107 107 ASN CA C 13 53.268 0.293 . 1 . . . . 105 ASN CA . 10078 1 479 . 1 1 107 107 ASN CB C 13 39.250 0.293 . 1 . . . . 105 ASN CB . 10078 1 480 . 1 1 107 107 ASN N N 15 120.175 0.172 . 1 . . . . 105 ASN N . 10078 1 481 . 1 1 108 108 ILE H H 1 8.824 0.004 . 1 . . . . 106 ILE H . 10078 1 482 . 1 1 108 108 ILE C C 13 174.792 0.125 . 1 . . . . 106 ILE C . 10078 1 483 . 1 1 108 108 ILE CA C 13 61.304 0.293 . 1 . . . . 106 ILE CA . 10078 1 484 . 1 1 108 108 ILE CB C 13 39.007 0.293 . 1 . . . . 106 ILE CB . 10078 1 485 . 1 1 108 108 ILE N N 15 124.592 0.172 . 1 . . . . 106 ILE N . 10078 1 486 . 1 1 109 109 LYS H H 1 8.933 0.004 . 1 . . . . 107 LYS H . 10078 1 487 . 1 1 109 109 LYS C C 13 174.569 0.125 . 1 . . . . 107 LYS C . 10078 1 488 . 1 1 109 109 LYS CA C 13 54.373 0.293 . 1 . . . . 107 LYS CA . 10078 1 489 . 1 1 109 109 LYS CB C 13 34.051 0.293 . 1 . . . . 107 LYS CB . 10078 1 490 . 1 1 109 109 LYS N N 15 128.882 0.172 . 1 . . . . 107 LYS N . 10078 1 491 . 1 1 110 110 GLN H H 1 8.747 0.004 . 1 . . . . 108 GLN H . 10078 1 492 . 1 1 110 110 GLN C C 13 174.810 0.125 . 1 . . . . 108 GLN C . 10078 1 493 . 1 1 110 110 GLN CA C 13 53.854 0.293 . 1 . . . . 108 GLN CA . 10078 1 494 . 1 1 110 110 GLN CB C 13 30.520 0.293 . 1 . . . . 108 GLN CB . 10078 1 495 . 1 1 110 110 GLN N N 15 127.261 0.172 . 1 . . . . 108 GLN N . 10078 1 496 . 1 1 111 111 ASN H H 1 8.746 0.004 . 1 . . . . 109 ASN H . 10078 1 497 . 1 1 111 111 ASN CA C 13 52.510 0.293 . 1 . . . . 109 ASN CA . 10078 1 498 . 1 1 111 111 ASN CB C 13 39.358 0.293 . 1 . . . . 109 ASN CB . 10078 1 499 . 1 1 111 111 ASN N N 15 126.615 0.172 . 1 . . . . 109 ASN N . 10078 1 500 . 1 1 112 112 GLY C C 13 173.039 0.125 . 1 . . . . 110 GLY C . 10078 1 501 . 1 1 112 112 GLY CA C 13 47.494 0.293 . 1 . . . . 110 GLY CA . 10078 1 502 . 1 1 113 113 ASP H H 1 8.557 0.004 . 1 . . . . 111 ASP H . 10078 1 503 . 1 1 113 113 ASP C C 13 173.536 0.125 . 1 . . . . 111 ASP C . 10078 1 504 . 1 1 113 113 ASP CA C 13 53.945 0.293 . 1 . . . . 111 ASP CA . 10078 1 505 . 1 1 113 113 ASP CB C 13 40.790 0.293 . 1 . . . . 111 ASP CB . 10078 1 506 . 1 1 113 113 ASP N N 15 127.675 0.172 . 1 . . . . 111 ASP N . 10078 1 507 . 1 1 114 114 ASP H H 1 7.584 0.004 . 1 . . . . 112 ASP H . 10078 1 508 . 1 1 114 114 ASP C C 13 175.026 0.125 . 1 . . . . 112 ASP C . 10078 1 509 . 1 1 114 114 ASP CA C 13 54.627 0.293 . 1 . . . . 112 ASP CA . 10078 1 510 . 1 1 114 114 ASP CB C 13 43.013 0.293 . 1 . . . . 112 ASP CB . 10078 1 511 . 1 1 114 114 ASP N N 15 117.355 0.172 . 1 . . . . 112 ASP N . 10078 1 512 . 1 1 115 115 PHE H H 1 9.183 0.004 . 1 . . . . 113 PHE H . 10078 1 513 . 1 1 115 115 PHE C C 13 175.270 0.125 . 1 . . . . 113 PHE C . 10078 1 514 . 1 1 115 115 PHE CA C 13 56.626 0.293 . 1 . . . . 113 PHE CA . 10078 1 515 . 1 1 115 115 PHE CB C 13 40.412 0.293 . 1 . . . . 113 PHE CB . 10078 1 516 . 1 1 115 115 PHE N N 15 121.565 0.172 . 1 . . . . 113 PHE N . 10078 1 517 . 1 1 116 116 VAL H H 1 8.841 0.004 . 1 . . . . 114 VAL H . 10078 1 518 . 1 1 116 116 VAL C C 13 174.872 0.125 . 1 . . . . 114 VAL C . 10078 1 519 . 1 1 116 116 VAL CA C 13 62.257 0.293 . 1 . . . . 114 VAL CA . 10078 1 520 . 1 1 116 116 VAL CB C 13 32.930 0.293 . 1 . . . . 114 VAL CB . 10078 1 521 . 1 1 116 116 VAL N N 15 122.312 0.172 . 1 . . . . 114 VAL N . 10078 1 522 . 1 1 117 117 LEU H H 1 9.700 0.004 . 1 . . . . 115 LEU H . 10078 1 523 . 1 1 117 117 LEU C C 13 175.750 0.125 . 1 . . . . 115 LEU C . 10078 1 524 . 1 1 117 117 LEU CA C 13 56.535 0.293 . 1 . . . . 115 LEU CA . 10078 1 525 . 1 1 117 117 LEU CB C 13 41.701 0.293 . 1 . . . . 115 LEU CB . 10078 1 526 . 1 1 117 117 LEU N N 15 131.640 0.172 . 1 . . . . 115 LEU N . 10078 1 527 . 1 1 118 118 THR H H 1 8.933 0.004 . 1 . . . . 116 THR H . 10078 1 528 . 1 1 118 118 THR C C 13 172.545 0.125 . 1 . . . . 116 THR C . 10078 1 529 . 1 1 118 118 THR CA C 13 58.172 0.293 . 1 . . . . 116 THR CA . 10078 1 530 . 1 1 118 118 THR CB C 13 70.292 0.293 . 1 . . . . 116 THR CB . 10078 1 531 . 1 1 118 118 THR N N 15 115.643 0.172 . 1 . . . . 116 THR N . 10078 1 532 . 1 1 119 119 PRO C C 13 177.263 0.125 . 1 . . . . 117 PRO C . 10078 1 533 . 1 1 119 119 PRO CA C 13 63.597 0.293 . 1 . . . . 117 PRO CA . 10078 1 534 . 1 1 119 119 PRO CB C 13 31.193 0.293 . 1 . . . . 117 PRO CB . 10078 1 535 . 1 1 120 120 LYS H H 1 8.057 0.004 . 1 . . . . 118 LYS H . 10078 1 536 . 1 1 120 120 LYS C C 13 176.914 0.125 . 1 . . . . 118 LYS C . 10078 1 537 . 1 1 120 120 LYS CA C 13 58.606 0.293 . 1 . . . . 118 LYS CA . 10078 1 538 . 1 1 120 120 LYS CB C 13 32.563 0.293 . 1 . . . . 118 LYS CB . 10078 1 539 . 1 1 120 120 LYS N N 15 122.302 0.172 . 1 . . . . 118 LYS N . 10078 1 540 . 1 1 121 121 ALA H H 1 8.091 0.004 . 1 . . . . 119 ALA H . 10078 1 541 . 1 1 121 121 ALA C C 13 177.310 0.125 . 1 . . . . 119 ALA C . 10078 1 542 . 1 1 121 121 ALA CA C 13 51.041 0.293 . 1 . . . . 119 ALA CA . 10078 1 543 . 1 1 121 121 ALA CB C 13 19.576 0.293 . 1 . . . . 119 ALA CB . 10078 1 544 . 1 1 121 121 ALA N N 15 121.779 0.172 . 1 . . . . 119 ALA N . 10078 1 545 . 1 1 122 122 SER C C 13 174.076 0.125 . 1 . . . . 120 SER C . 10078 1 546 . 1 1 122 122 SER CA C 13 58.455 0.293 . 1 . . . . 120 SER CA . 10078 1 547 . 1 1 122 122 SER CB C 13 63.725 0.293 . 1 . . . . 120 SER CB . 10078 1 548 . 1 1 123 123 ASN H H 1 8.076 0.004 . 1 . . . . 121 ASN H . 10078 1 549 . 1 1 123 123 ASN C C 13 176.232 0.125 . 1 . . . . 121 ASN C . 10078 1 550 . 1 1 123 123 ASN CA C 13 55.249 0.293 . 1 . . . . 121 ASN CA . 10078 1 551 . 1 1 123 123 ASN CB C 13 40.327 0.293 . 1 . . . . 121 ASN CB . 10078 1 552 . 1 1 123 123 ASN N N 15 126.244 0.172 . 1 . . . . 121 ASN N . 10078 1 553 . 1 1 124 124 GLY H H 1 8.096 0.004 . 1 . . . . 122 GLY H . 10078 1 554 . 1 1 124 124 GLY C C 13 174.278 0.125 . 1 . . . . 122 GLY C . 10078 1 555 . 1 1 124 124 GLY CA C 13 45.410 0.293 . 1 . . . . 122 GLY CA . 10078 1 556 . 1 1 124 124 GLY N N 15 113.099 0.172 . 1 . . . . 122 GLY N . 10078 1 557 . 1 1 125 125 ASN C C 13 175.013 0.125 . 1 . . . . 123 ASN C . 10078 1 558 . 1 1 125 125 ASN CA C 13 54.573 0.293 . 1 . . . . 123 ASN CA . 10078 1 559 . 1 1 125 125 ASN CB C 13 39.401 0.293 . 1 . . . . 123 ASN CB . 10078 1 560 . 1 1 126 126 LEU H H 1 7.789 0.004 . 1 . . . . 124 LEU H . 10078 1 561 . 1 1 126 126 LEU C C 13 176.269 0.125 . 1 . . . . 124 LEU C . 10078 1 562 . 1 1 126 126 LEU CA C 13 54.332 0.293 . 1 . . . . 124 LEU CA . 10078 1 563 . 1 1 126 126 LEU CB C 13 42.029 0.293 . 1 . . . . 124 LEU CB . 10078 1 564 . 1 1 126 126 LEU N N 15 118.344 0.172 . 1 . . . . 124 LEU N . 10078 1 565 . 1 1 127 127 LYS H H 1 8.832 0.004 . 1 . . . . 125 LYS H . 10078 1 566 . 1 1 127 127 LYS C C 13 176.845 0.125 . 1 . . . . 125 LYS C . 10078 1 567 . 1 1 127 127 LYS CA C 13 57.525 0.293 . 1 . . . . 125 LYS CA . 10078 1 568 . 1 1 127 127 LYS CB C 13 33.150 0.293 . 1 . . . . 125 LYS CB . 10078 1 569 . 1 1 127 127 LYS N N 15 122.744 0.172 . 1 . . . . 125 LYS N . 10078 1 570 . 1 1 128 128 GLN H H 1 7.658 0.004 . 1 . . . . 126 GLN H . 10078 1 571 . 1 1 128 128 GLN C C 13 173.324 0.125 . 1 . . . . 126 GLN C . 10078 1 572 . 1 1 128 128 GLN CA C 13 55.994 0.293 . 1 . . . . 126 GLN CA . 10078 1 573 . 1 1 128 128 GLN CB C 13 32.886 0.293 . 1 . . . . 126 GLN CB . 10078 1 574 . 1 1 128 128 GLN N N 15 115.304 0.172 . 1 . . . . 126 GLN N . 10078 1 575 . 1 1 129 129 PHE H H 1 9.028 0.004 . 1 . . . . 127 PHE H . 10078 1 576 . 1 1 129 129 PHE C C 13 173.032 0.125 . 1 . . . . 127 PHE C . 10078 1 577 . 1 1 129 129 PHE CA C 13 55.137 0.293 . 1 . . . . 127 PHE CA . 10078 1 578 . 1 1 129 129 PHE CB C 13 41.939 0.293 . 1 . . . . 127 PHE CB . 10078 1 579 . 1 1 129 129 PHE N N 15 127.449 0.172 . 1 . . . . 127 PHE N . 10078 1 580 . 1 1 130 130 THR H H 1 9.010 0.004 . 1 . . . . 128 THR H . 10078 1 581 . 1 1 130 130 THR C C 13 171.887 0.125 . 1 . . . . 128 THR C . 10078 1 582 . 1 1 130 130 THR CA C 13 59.315 0.293 . 1 . . . . 128 THR CA . 10078 1 583 . 1 1 130 130 THR CB C 13 70.508 0.293 . 1 . . . . 128 THR CB . 10078 1 584 . 1 1 130 130 THR N N 15 120.627 0.172 . 1 . . . . 128 THR N . 10078 1 585 . 1 1 131 131 ILE H H 1 8.623 0.004 . 1 . . . . 129 ILE H . 10078 1 586 . 1 1 131 131 ILE C C 13 173.310 0.125 . 1 . . . . 129 ILE C . 10078 1 587 . 1 1 131 131 ILE CA C 13 59.942 0.293 . 1 . . . . 129 ILE CA . 10078 1 588 . 1 1 131 131 ILE CB C 13 40.273 0.293 . 1 . . . . 129 ILE CB . 10078 1 589 . 1 1 131 131 ILE N N 15 118.748 0.172 . 1 . . . . 129 ILE N . 10078 1 590 . 1 1 132 132 ASN H H 1 8.868 0.004 . 1 . . . . 130 ASN H . 10078 1 591 . 1 1 132 132 ASN C C 13 174.417 0.125 . 1 . . . . 130 ASN C . 10078 1 592 . 1 1 132 132 ASN CA C 13 52.271 0.293 . 1 . . . . 130 ASN CA . 10078 1 593 . 1 1 132 132 ASN CB C 13 40.623 0.293 . 1 . . . . 130 ASN CB . 10078 1 594 . 1 1 132 132 ASN N N 15 128.939 0.172 . 1 . . . . 130 ASN N . 10078 1 595 . 1 1 133 133 VAL H H 1 8.372 0.004 . 1 . . . . 131 VAL H . 10078 1 596 . 1 1 133 133 VAL C C 13 175.274 0.125 . 1 . . . . 131 VAL C . 10078 1 597 . 1 1 133 133 VAL CA C 13 57.661 0.293 . 1 . . . . 131 VAL CA . 10078 1 598 . 1 1 133 133 VAL CB C 13 33.170 0.293 . 1 . . . . 131 VAL CB . 10078 1 599 . 1 1 133 133 VAL N N 15 123.261 0.172 . 1 . . . . 131 VAL N . 10078 1 600 . 1 1 134 134 GLY H H 1 8.922 0.004 . 1 . . . . 132 GLY H . 10078 1 601 . 1 1 134 134 GLY C C 13 175.972 0.125 . 1 . . . . 132 GLY C . 10078 1 602 . 1 1 134 134 GLY CA C 13 44.874 0.293 . 1 . . . . 132 GLY CA . 10078 1 603 . 1 1 134 134 GLY N N 15 112.787 0.172 . 1 . . . . 132 GLY N . 10078 1 604 . 1 1 135 135 ARG H H 1 9.151 0.004 . 1 . . . . 133 ARG H . 10078 1 605 . 1 1 135 135 ARG C C 13 176.022 0.125 . 1 . . . . 133 ARG C . 10078 1 606 . 1 1 135 135 ARG CA C 13 59.267 0.293 . 1 . . . . 133 ARG CA . 10078 1 607 . 1 1 135 135 ARG CB C 13 29.046 0.293 . 1 . . . . 133 ARG CB . 10078 1 608 . 1 1 135 135 ARG N N 15 121.197 0.172 . 1 . . . . 133 ARG N . 10078 1 609 . 1 1 136 136 ASP H H 1 8.131 0.004 . 1 . . . . 134 ASP H . 10078 1 610 . 1 1 136 136 ASP C C 13 177.312 0.125 . 1 . . . . 134 ASP C . 10078 1 611 . 1 1 136 136 ASP CA C 13 52.856 0.293 . 1 . . . . 134 ASP CA . 10078 1 612 . 1 1 136 136 ASP CB C 13 39.970 0.293 . 1 . . . . 134 ASP CB . 10078 1 613 . 1 1 136 136 ASP N N 15 114.446 0.172 . 1 . . . . 134 ASP N . 10078 1 614 . 1 1 137 137 GLY H H 1 8.054 0.004 . 1 . . . . 135 GLY H . 10078 1 615 . 1 1 137 137 GLY C C 13 173.782 0.125 . 1 . . . . 135 GLY C . 10078 1 616 . 1 1 137 137 GLY CA C 13 45.449 0.293 . 1 . . . . 135 GLY CA . 10078 1 617 . 1 1 137 137 GLY N N 15 109.512 0.172 . 1 . . . . 135 GLY N . 10078 1 618 . 1 1 138 138 THR H H 1 7.452 0.004 . 1 . . . . 136 THR H . 10078 1 619 . 1 1 138 138 THR C C 13 173.291 0.125 . 1 . . . . 136 THR C . 10078 1 620 . 1 1 138 138 THR CA C 13 63.607 0.293 . 1 . . . . 136 THR CA . 10078 1 621 . 1 1 138 138 THR CB C 13 67.795 0.293 . 1 . . . . 136 THR CB . 10078 1 622 . 1 1 138 138 THR N N 15 117.858 0.172 . 1 . . . . 136 THR N . 10078 1 623 . 1 1 139 139 ILE H H 1 8.620 0.004 . 1 . . . . 137 ILE H . 10078 1 624 . 1 1 139 139 ILE C C 13 173.274 0.125 . 1 . . . . 137 ILE C . 10078 1 625 . 1 1 139 139 ILE CA C 13 60.959 0.293 . 1 . . . . 137 ILE CA . 10078 1 626 . 1 1 139 139 ILE CB C 13 37.279 0.293 . 1 . . . . 137 ILE CB . 10078 1 627 . 1 1 139 139 ILE N N 15 130.941 0.172 . 1 . . . . 137 ILE N . 10078 1 628 . 1 1 140 140 HIS H H 1 8.059 0.004 . 1 . . . . 138 HIS H . 10078 1 629 . 1 1 140 140 HIS C C 13 177.159 0.125 . 1 . . . . 138 HIS C . 10078 1 630 . 1 1 140 140 HIS CA C 13 59.125 0.293 . 1 . . . . 138 HIS CA . 10078 1 631 . 1 1 140 140 HIS CB C 13 30.400 0.293 . 1 . . . . 138 HIS CB . 10078 1 632 . 1 1 140 140 HIS N N 15 123.762 0.172 . 1 . . . . 138 HIS N . 10078 1 633 . 1 1 141 141 GLN H H 1 8.042 0.004 . 1 . . . . 139 GLN H . 10078 1 634 . 1 1 141 141 GLN C C 13 174.312 0.125 . 1 . . . . 139 GLN C . 10078 1 635 . 1 1 141 141 GLN CA C 13 54.815 0.293 . 1 . . . . 139 GLN CA . 10078 1 636 . 1 1 141 141 GLN CB C 13 31.966 0.293 . 1 . . . . 139 GLN CB . 10078 1 637 . 1 1 141 141 GLN N N 15 114.094 0.172 . 1 . . . . 139 GLN N . 10078 1 638 . 1 1 142 142 PHE H H 1 8.515 0.004 . 1 . . . . 140 PHE H . 10078 1 639 . 1 1 142 142 PHE C C 13 173.429 0.125 . 1 . . . . 140 PHE C . 10078 1 640 . 1 1 142 142 PHE CA C 13 57.461 0.293 . 1 . . . . 140 PHE CA . 10078 1 641 . 1 1 142 142 PHE CB C 13 40.082 0.293 . 1 . . . . 140 PHE CB . 10078 1 642 . 1 1 142 142 PHE N N 15 116.509 0.172 . 1 . . . . 140 PHE N . 10078 1 643 . 1 1 143 143 SER H H 1 9.379 0.004 . 1 . . . . 141 SER H . 10078 1 644 . 1 1 143 143 SER C C 13 171.998 0.125 . 1 . . . . 141 SER C . 10078 1 645 . 1 1 143 143 SER CA C 13 57.329 0.293 . 1 . . . . 141 SER CA . 10078 1 646 . 1 1 143 143 SER CB C 13 66.832 0.293 . 1 . . . . 141 SER CB . 10078 1 647 . 1 1 143 143 SER N N 15 115.714 0.172 . 1 . . . . 141 SER N . 10078 1 648 . 1 1 144 144 ALA H H 1 9.040 0.004 . 1 . . . . 142 ALA H . 10078 1 649 . 1 1 144 144 ALA C C 13 175.762 0.125 . 1 . . . . 142 ALA C . 10078 1 650 . 1 1 144 144 ALA CA C 13 51.303 0.293 . 1 . . . . 142 ALA CA . 10078 1 651 . 1 1 144 144 ALA CB C 13 23.238 0.293 . 1 . . . . 142 ALA CB . 10078 1 652 . 1 1 144 144 ALA N N 15 122.362 0.172 . 1 . . . . 142 ALA N . 10078 1 653 . 1 1 145 145 VAL H H 1 8.652 0.004 . 1 . . . . 143 VAL H . 10078 1 654 . 1 1 145 145 VAL C C 13 176.405 0.125 . 1 . . . . 143 VAL C . 10078 1 655 . 1 1 145 145 VAL CA C 13 61.552 0.293 . 1 . . . . 143 VAL CA . 10078 1 656 . 1 1 145 145 VAL CB C 13 32.892 0.293 . 1 . . . . 143 VAL CB . 10078 1 657 . 1 1 145 145 VAL N N 15 122.944 0.172 . 1 . . . . 143 VAL N . 10078 1 658 . 1 1 146 146 GLU H H 1 8.606 0.004 . 1 . . . . 144 GLU H . 10078 1 659 . 1 1 146 146 GLU C C 13 177.345 0.125 . 1 . . . . 144 GLU C . 10078 1 660 . 1 1 146 146 GLU CA C 13 55.780 0.293 . 1 . . . . 144 GLU CA . 10078 1 661 . 1 1 146 146 GLU CB C 13 31.463 0.293 . 1 . . . . 144 GLU CB . 10078 1 662 . 1 1 146 146 GLU N N 15 127.257 0.172 . 1 . . . . 144 GLU N . 10078 1 663 . 1 1 147 147 GLN H H 1 8.448 0.004 . 1 . . . . 145 GLN H . 10078 1 664 . 1 1 147 147 GLN C C 13 175.878 0.125 . 1 . . . . 145 GLN C . 10078 1 665 . 1 1 147 147 GLN CA C 13 58.353 0.293 . 1 . . . . 145 GLN CA . 10078 1 666 . 1 1 147 147 GLN CB C 13 27.614 0.293 . 1 . . . . 145 GLN CB . 10078 1 667 . 1 1 147 147 GLN N N 15 118.381 0.172 . 1 . . . . 145 GLN N . 10078 1 668 . 1 1 148 148 ASP H H 1 8.110 0.004 . 1 . . . . 146 ASP H . 10078 1 669 . 1 1 148 148 ASP C C 13 176.278 0.125 . 1 . . . . 146 ASP C . 10078 1 670 . 1 1 148 148 ASP CA C 13 53.741 0.293 . 1 . . . . 146 ASP CA . 10078 1 671 . 1 1 148 148 ASP CB C 13 39.333 0.293 . 1 . . . . 146 ASP CB . 10078 1 672 . 1 1 148 148 ASP N N 15 118.211 0.172 . 1 . . . . 146 ASP N . 10078 1 673 . 1 1 149 149 ASP H H 1 8.220 0.004 . 1 . . . . 147 ASP H . 10078 1 674 . 1 1 149 149 ASP C C 13 174.797 0.125 . 1 . . . . 147 ASP C . 10078 1 675 . 1 1 149 149 ASP CA C 13 56.653 0.293 . 1 . . . . 147 ASP CA . 10078 1 676 . 1 1 149 149 ASP CB C 13 39.062 0.293 . 1 . . . . 147 ASP CB . 10078 1 677 . 1 1 149 149 ASP N N 15 113.303 0.172 . 1 . . . . 147 ASP N . 10078 1 678 . 1 1 150 150 GLN H H 1 7.746 0.004 . 1 . . . . 148 GLN H . 10078 1 679 . 1 1 150 150 GLN C C 13 175.542 0.125 . 1 . . . . 148 GLN C . 10078 1 680 . 1 1 150 150 GLN CA C 13 57.190 0.293 . 1 . . . . 148 GLN CA . 10078 1 681 . 1 1 150 150 GLN CB C 13 29.372 0.293 . 1 . . . . 148 GLN CB . 10078 1 682 . 1 1 150 150 GLN N N 15 119.153 0.172 . 1 . . . . 148 GLN N . 10078 1 683 . 1 1 151 151 ARG H H 1 8.924 0.004 . 1 . . . . 149 ARG H . 10078 1 684 . 1 1 151 151 ARG C C 13 175.275 0.125 . 1 . . . . 149 ARG C . 10078 1 685 . 1 1 151 151 ARG CA C 13 54.508 0.293 . 1 . . . . 149 ARG CA . 10078 1 686 . 1 1 151 151 ARG CB C 13 32.280 0.293 . 1 . . . . 149 ARG CB . 10078 1 687 . 1 1 151 151 ARG N N 15 128.495 0.172 . 1 . . . . 149 ARG N . 10078 1 688 . 1 1 152 152 SER H H 1 8.960 0.004 . 1 . . . . 150 SER H . 10078 1 689 . 1 1 152 152 SER C C 13 172.023 0.125 . 1 . . . . 150 SER C . 10078 1 690 . 1 1 152 152 SER CA C 13 57.092 0.293 . 1 . . . . 150 SER CA . 10078 1 691 . 1 1 152 152 SER CB C 13 64.824 0.293 . 1 . . . . 150 SER CB . 10078 1 692 . 1 1 152 152 SER N N 15 121.519 0.172 . 1 . . . . 150 SER N . 10078 1 693 . 1 1 153 153 SER H H 1 8.797 0.004 . 1 . . . . 151 SER H . 10078 1 694 . 1 1 153 153 SER C C 13 172.312 0.125 . 1 . . . . 151 SER C . 10078 1 695 . 1 1 153 153 SER CA C 13 56.990 0.293 . 1 . . . . 151 SER CA . 10078 1 696 . 1 1 153 153 SER CB C 13 64.792 0.293 . 1 . . . . 151 SER CB . 10078 1 697 . 1 1 153 153 SER N N 15 119.291 0.172 . 1 . . . . 151 SER N . 10078 1 698 . 1 1 154 154 TYR H H 1 9.084 0.004 . 1 . . . . 152 TYR H . 10078 1 699 . 1 1 154 154 TYR C C 13 174.936 0.125 . 1 . . . . 152 TYR C . 10078 1 700 . 1 1 154 154 TYR CA C 13 56.308 0.293 . 1 . . . . 152 TYR CA . 10078 1 701 . 1 1 154 154 TYR CB C 13 38.861 0.293 . 1 . . . . 152 TYR CB . 10078 1 702 . 1 1 154 154 TYR N N 15 125.499 0.172 . 1 . . . . 152 TYR N . 10078 1 703 . 1 1 155 155 GLN H H 1 8.681 0.004 . 1 . . . . 153 GLN H . 10078 1 704 . 1 1 155 155 GLN C C 13 175.555 0.125 . 1 . . . . 153 GLN C . 10078 1 705 . 1 1 155 155 GLN CA C 13 54.295 0.293 . 1 . . . . 153 GLN CA . 10078 1 706 . 1 1 155 155 GLN CB C 13 30.751 0.293 . 1 . . . . 153 GLN CB . 10078 1 707 . 1 1 155 155 GLN N N 15 122.570 0.172 . 1 . . . . 153 GLN N . 10078 1 708 . 1 1 156 156 LEU H H 1 8.463 0.004 . 1 . . . . 154 LEU H . 10078 1 709 . 1 1 156 156 LEU C C 13 177.647 0.125 . 1 . . . . 154 LEU C . 10078 1 710 . 1 1 156 156 LEU CA C 13 56.955 0.293 . 1 . . . . 154 LEU CA . 10078 1 711 . 1 1 156 156 LEU CB C 13 41.897 0.293 . 1 . . . . 154 LEU CB . 10078 1 712 . 1 1 156 156 LEU N N 15 128.946 0.172 . 1 . . . . 154 LEU N . 10078 1 713 . 1 1 157 157 LYS H H 1 9.184 0.004 . 1 . . . . 155 LYS H . 10078 1 714 . 1 1 157 157 LYS C C 13 176.416 0.125 . 1 . . . . 155 LYS C . 10078 1 715 . 1 1 157 157 LYS CA C 13 57.206 0.293 . 1 . . . . 155 LYS CA . 10078 1 716 . 1 1 157 157 LYS CB C 13 31.882 0.293 . 1 . . . . 155 LYS CB . 10078 1 717 . 1 1 157 157 LYS N N 15 126.956 0.172 . 1 . . . . 155 LYS N . 10078 1 718 . 1 1 158 158 SER H H 1 7.217 0.004 . 1 . . . . 156 SER H . 10078 1 719 . 1 1 158 158 SER C C 13 172.134 0.125 . 1 . . . . 156 SER C . 10078 1 720 . 1 1 158 158 SER CA C 13 57.772 0.293 . 1 . . . . 156 SER CA . 10078 1 721 . 1 1 158 158 SER CB C 13 64.181 0.293 . 1 . . . . 156 SER CB . 10078 1 722 . 1 1 158 158 SER N N 15 110.884 0.172 . 1 . . . . 156 SER N . 10078 1 723 . 1 1 159 159 GLN H H 1 8.693 0.004 . 1 . . . . 157 GLN H . 10078 1 724 . 1 1 159 159 GLN C C 13 174.482 0.125 . 1 . . . . 157 GLN C . 10078 1 725 . 1 1 159 159 GLN CA C 13 55.727 0.293 . 1 . . . . 157 GLN CA . 10078 1 726 . 1 1 159 159 GLN CB C 13 30.316 0.293 . 1 . . . . 157 GLN CB . 10078 1 727 . 1 1 159 159 GLN N N 15 125.558 0.172 . 1 . . . . 157 GLN N . 10078 1 728 . 1 1 160 160 GLN H H 1 9.153 0.004 . 1 . . . . 158 GLN H . 10078 1 729 . 1 1 160 160 GLN C C 13 175.227 0.125 . 1 . . . . 158 GLN C . 10078 1 730 . 1 1 160 160 GLN CA C 13 54.503 0.293 . 1 . . . . 158 GLN CA . 10078 1 731 . 1 1 160 160 GLN CB C 13 30.152 0.293 . 1 . . . . 158 GLN CB . 10078 1 732 . 1 1 160 160 GLN N N 15 126.531 0.172 . 1 . . . . 158 GLN N . 10078 1 733 . 1 1 161 161 ASN C C 13 175.938 0.125 . 1 . . . . 159 ASN C . 10078 1 734 . 1 1 161 161 ASN CA C 13 53.080 0.293 . 1 . . . . 159 ASN CA . 10078 1 735 . 1 1 161 161 ASN CB C 13 38.296 0.293 . 1 . . . . 159 ASN CB . 10078 1 736 . 1 1 162 162 GLY H H 1 8.374 0.004 . 1 . . . . 160 GLY H . 10078 1 737 . 1 1 162 162 GLY C C 13 173.202 0.125 . 1 . . . . 160 GLY C . 10078 1 738 . 1 1 162 162 GLY CA C 13 44.811 0.293 . 1 . . . . 160 GLY CA . 10078 1 739 . 1 1 162 162 GLY N N 15 111.324 0.172 . 1 . . . . 160 GLY N . 10078 1 740 . 1 1 163 163 ALA C C 13 177.265 0.125 . 1 . . . . 161 ALA C . 10078 1 741 . 1 1 163 163 ALA CA C 13 52.883 0.293 . 1 . . . . 161 ALA CA . 10078 1 742 . 1 1 163 163 ALA CB C 13 18.449 0.293 . 1 . . . . 161 ALA CB . 10078 1 743 . 1 1 164 164 VAL H H 1 8.093 0.004 . 1 . . . . 162 VAL H . 10078 1 744 . 1 1 164 164 VAL C C 13 175.057 0.125 . 1 . . . . 162 VAL C . 10078 1 745 . 1 1 164 164 VAL CA C 13 60.614 0.293 . 1 . . . . 162 VAL CA . 10078 1 746 . 1 1 164 164 VAL CB C 13 34.372 0.293 . 1 . . . . 162 VAL CB . 10078 1 747 . 1 1 164 164 VAL N N 15 119.874 0.172 . 1 . . . . 162 VAL N . 10078 1 748 . 1 1 165 165 ASP H H 1 8.073 0.004 . 1 . . . . 163 ASP H . 10078 1 749 . 1 1 165 165 ASP C C 13 176.268 0.125 . 1 . . . . 163 ASP C . 10078 1 750 . 1 1 165 165 ASP CA C 13 54.266 0.293 . 1 . . . . 163 ASP CA . 10078 1 751 . 1 1 165 165 ASP CB C 13 41.643 0.293 . 1 . . . . 163 ASP CB . 10078 1 752 . 1 1 165 165 ASP N N 15 125.969 0.172 . 1 . . . . 163 ASP N . 10078 1 753 . 1 1 166 166 ALA H H 1 8.466 0.004 . 1 . . . . 164 ALA H . 10078 1 754 . 1 1 166 166 ALA C C 13 179.760 0.125 . 1 . . . . 164 ALA C . 10078 1 755 . 1 1 166 166 ALA CA C 13 54.536 0.293 . 1 . . . . 164 ALA CA . 10078 1 756 . 1 1 166 166 ALA CB C 13 17.915 0.293 . 1 . . . . 164 ALA CB . 10078 1 757 . 1 1 166 166 ALA N N 15 127.371 0.172 . 1 . . . . 164 ALA N . 10078 1 758 . 1 1 167 167 ALA H H 1 8.282 0.004 . 1 . . . . 165 ALA H . 10078 1 759 . 1 1 167 167 ALA C C 13 179.460 0.125 . 1 . . . . 165 ALA C . 10078 1 760 . 1 1 167 167 ALA CA C 13 53.715 0.293 . 1 . . . . 165 ALA CA . 10078 1 761 . 1 1 167 167 ALA CB C 13 17.604 0.293 . 1 . . . . 165 ALA CB . 10078 1 762 . 1 1 167 167 ALA N N 15 120.146 0.172 . 1 . . . . 165 ALA N . 10078 1 763 . 1 1 168 168 LYS H H 1 7.293 0.004 . 1 . . . . 166 LYS H . 10078 1 764 . 1 1 168 168 LYS C C 13 176.525 0.125 . 1 . . . . 166 LYS C . 10078 1 765 . 1 1 168 168 LYS CA C 13 55.347 0.293 . 1 . . . . 166 LYS CA . 10078 1 766 . 1 1 168 168 LYS CB C 13 29.477 0.293 . 1 . . . . 166 LYS CB . 10078 1 767 . 1 1 168 168 LYS N N 15 115.567 0.172 . 1 . . . . 166 LYS N . 10078 1 768 . 1 1 169 169 PHE H H 1 7.010 0.004 . 1 . . . . 167 PHE H . 10078 1 769 . 1 1 169 169 PHE C C 13 173.984 0.125 . 1 . . . . 167 PHE C . 10078 1 770 . 1 1 169 169 PHE CA C 13 55.130 0.293 . 1 . . . . 167 PHE CA . 10078 1 771 . 1 1 169 169 PHE CB C 13 38.138 0.293 . 1 . . . . 167 PHE CB . 10078 1 772 . 1 1 169 169 PHE N N 15 116.378 0.172 . 1 . . . . 167 PHE N . 10078 1 773 . 1 1 170 170 THR H H 1 6.891 0.004 . 1 . . . . 168 THR H . 10078 1 774 . 1 1 170 170 THR C C 13 172.510 0.125 . 1 . . . . 168 THR C . 10078 1 775 . 1 1 170 170 THR CA C 13 59.830 0.293 . 1 . . . . 168 THR CA . 10078 1 776 . 1 1 170 170 THR CB C 13 70.681 0.293 . 1 . . . . 168 THR CB . 10078 1 777 . 1 1 170 170 THR N N 15 111.001 0.172 . 1 . . . . 168 THR N . 10078 1 778 . 1 1 174 174 PRO C C 13 175.830 0.125 . 1 . . . . 172 PRO C . 10078 1 779 . 1 1 174 174 PRO CA C 13 61.867 0.293 . 1 . . . . 172 PRO CA . 10078 1 780 . 1 1 174 174 PRO CB C 13 31.485 0.293 . 1 . . . . 172 PRO CB . 10078 1 781 . 1 1 175 175 GLN H H 1 8.243 0.004 . 1 . . . . 173 GLN H . 10078 1 782 . 1 1 175 175 GLN C C 13 177.272 0.125 . 1 . . . . 173 GLN C . 10078 1 783 . 1 1 175 175 GLN CA C 13 57.456 0.293 . 1 . . . . 173 GLN CA . 10078 1 784 . 1 1 175 175 GLN CB C 13 27.865 0.293 . 1 . . . . 173 GLN CB . 10078 1 785 . 1 1 175 175 GLN N N 15 121.181 0.172 . 1 . . . . 173 GLN N . 10078 1 786 . 1 1 176 176 GLY H H 1 8.624 0.004 . 1 . . . . 174 GLY H . 10078 1 787 . 1 1 176 176 GLY C C 13 174.170 0.125 . 1 . . . . 174 GLY C . 10078 1 788 . 1 1 176 176 GLY CA C 13 45.109 0.293 . 1 . . . . 174 GLY CA . 10078 1 789 . 1 1 176 176 GLY N N 15 112.554 0.172 . 1 . . . . 174 GLY N . 10078 1 790 . 1 1 177 177 VAL H H 1 7.281 0.004 . 1 . . . . 175 VAL H . 10078 1 791 . 1 1 177 177 VAL C C 13 176.169 0.125 . 1 . . . . 175 VAL C . 10078 1 792 . 1 1 177 177 VAL CA C 13 61.942 0.293 . 1 . . . . 175 VAL CA . 10078 1 793 . 1 1 177 177 VAL CB C 13 31.802 0.293 . 1 . . . . 175 VAL CB . 10078 1 794 . 1 1 177 177 VAL N N 15 120.687 0.172 . 1 . . . . 175 VAL N . 10078 1 795 . 1 1 178 178 THR H H 1 8.307 0.004 . 1 . . . . 176 THR H . 10078 1 796 . 1 1 178 178 THR C C 13 173.527 0.125 . 1 . . . . 176 THR C . 10078 1 797 . 1 1 178 178 THR CA C 13 61.021 0.293 . 1 . . . . 176 THR CA . 10078 1 798 . 1 1 178 178 THR CB C 13 69.476 0.293 . 1 . . . . 176 THR CB . 10078 1 799 . 1 1 178 178 THR N N 15 124.216 0.172 . 1 . . . . 176 THR N . 10078 1 800 . 1 1 179 179 VAL H H 1 8.750 0.004 . 1 . . . . 177 VAL H . 10078 1 801 . 1 1 179 179 VAL C C 13 175.757 0.125 . 1 . . . . 177 VAL C . 10078 1 802 . 1 1 179 179 VAL CA C 13 61.187 0.293 . 1 . . . . 177 VAL CA . 10078 1 803 . 1 1 179 179 VAL CB C 13 32.977 0.293 . 1 . . . . 177 VAL CB . 10078 1 804 . 1 1 179 179 VAL N N 15 127.781 0.172 . 1 . . . . 177 VAL N . 10078 1 805 . 1 1 180 180 ASP H H 1 9.113 0.004 . 1 . . . . 178 ASP H . 10078 1 806 . 1 1 180 180 ASP C C 13 174.481 0.125 . 1 . . . . 178 ASP C . 10078 1 807 . 1 1 180 180 ASP CA C 13 52.835 0.293 . 1 . . . . 178 ASP CA . 10078 1 808 . 1 1 180 180 ASP CB C 13 40.335 0.293 . 1 . . . . 178 ASP CB . 10078 1 809 . 1 1 180 180 ASP N N 15 130.063 0.172 . 1 . . . . 178 ASP N . 10078 1 810 . 1 1 181 181 ASP H H 1 8.439 0.004 . 1 . . . . 179 ASP H . 10078 1 811 . 1 1 181 181 ASP C C 13 176.647 0.125 . 1 . . . . 179 ASP C . 10078 1 812 . 1 1 181 181 ASP CA C 13 53.054 0.293 . 1 . . . . 179 ASP CA . 10078 1 813 . 1 1 181 181 ASP CB C 13 39.834 0.293 . 1 . . . . 179 ASP CB . 10078 1 814 . 1 1 181 181 ASP N N 15 124.882 0.172 . 1 . . . . 179 ASP N . 10078 1 815 . 1 1 182 182 GLN H H 1 8.746 0.004 . 1 . . . . 180 GLN H . 10078 1 816 . 1 1 182 182 GLN C C 13 177.036 0.125 . 1 . . . . 180 GLN C . 10078 1 817 . 1 1 182 182 GLN CA C 13 55.471 0.293 . 1 . . . . 180 GLN CA . 10078 1 818 . 1 1 182 182 GLN CB C 13 27.003 0.293 . 1 . . . . 180 GLN CB . 10078 1 819 . 1 1 182 182 GLN N N 15 126.106 0.172 . 1 . . . . 180 GLN N . 10078 1 820 . 1 1 183 183 ARG H H 1 7.721 0.004 . 1 . . . . 181 ARG H . 10078 1 821 . 1 1 183 183 ARG C C 13 176.638 0.125 . 1 . . . . 181 ARG C . 10078 1 822 . 1 1 183 183 ARG CA C 13 56.910 0.293 . 1 . . . . 181 ARG CA . 10078 1 823 . 1 1 183 183 ARG CB C 13 28.683 0.293 . 1 . . . . 181 ARG CB . 10078 1 824 . 1 1 183 183 ARG N N 15 120.216 0.172 . 1 . . . . 181 ARG N . 10078 1 825 . 1 1 184 184 LYS H H 1 7.662 0.004 . 1 . . . . 182 LYS H . 10078 1 826 . 1 1 184 184 LYS C C 13 176.642 0.125 . 1 . . . . 182 LYS C . 10078 1 827 . 1 1 184 184 LYS CA C 13 55.921 0.293 . 1 . . . . 182 LYS CA . 10078 1 828 . 1 1 184 184 LYS CB C 13 31.938 0.293 . 1 . . . . 182 LYS CB . 10078 1 829 . 1 1 184 184 LYS N N 15 120.563 0.172 . 1 . . . . 182 LYS N . 10078 1 830 . 1 1 185 185 LEU H H 1 8.091 0.004 . 1 . . . . 183 LEU H . 10078 1 831 . 1 1 185 185 LEU C C 13 177.372 0.125 . 1 . . . . 183 LEU C . 10078 1 832 . 1 1 185 185 LEU CA C 13 55.240 0.293 . 1 . . . . 183 LEU CA . 10078 1 833 . 1 1 185 185 LEU CB C 13 41.704 0.293 . 1 . . . . 183 LEU CB . 10078 1 834 . 1 1 185 185 LEU N N 15 123.473 0.172 . 1 . . . . 183 LEU N . 10078 1 835 . 1 1 186 186 GLU H H 1 8.367 0.004 . 1 . . . . 184 GLU H . 10078 1 836 . 1 1 186 186 GLU C C 13 176.207 0.125 . 1 . . . . 184 GLU C . 10078 1 837 . 1 1 186 186 GLU CA C 13 56.507 0.293 . 1 . . . . 184 GLU CA . 10078 1 838 . 1 1 186 186 GLU CB C 13 29.922 0.293 . 1 . . . . 184 GLU CB . 10078 1 839 . 1 1 186 186 GLU N N 15 121.672 0.172 . 1 . . . . 184 GLU N . 10078 1 stop_ save_