data_18609 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18609 _Entry.Title ; Chemical shifts of Ecoli GGBP sugar bound ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-07-23 _Entry.Accession_date 2012-07-23 _Entry.Last_release_date 2014-04-22 _Entry.Original_release_date 2014-04-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Assignment of backbone chemical shifts of Ecoli glucose bound Glucose/Galactose Binding Protein' _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 Oscar Millet . . . 18609 2 David Castano . . . 18609 3 Gabriel Ortega . . . 18609 4 Tammo Diercks . . . 18609 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18609 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 495 18609 '15N chemical shifts' 257 18609 '1H chemical shifts' 257 18609 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 1 . . 2014-04-22 2012-07-23 original author . 18609 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18597 'Ecoli RBP sugar free backbone assignment' 18609 BMRB 18601 'Ecoli GGBP sugar free backbone assignment' 18609 BMRB 18603 'Ecoli RBP sugar backbone assignment' 18609 PDB 1URP 'X-ray structure of open unliganded E.coli Ribose Binding Protein' 18609 PDB 2DRI 'X-ray structure of closed ligand bound E.coli Ribose Binding Protein' 18609 PDB 2lw0 'Ecoli RBP sugar free solution structure' 18609 PDB 2lw2 'Ecoli GGBP sugar free solution structure' 18609 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18609 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23148479 _Citation.Full_citation . _Citation.Title 'Carbohydrate affinity for the glucose-galactose binding protein is regulated by allosteric domain motions.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full 'Journal of the American Chemical Society' _Citation.Journal_volume 134 _Citation.Journal_issue 48 _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 19869 _Citation.Page_last 19876 _Citation.Year 2012 _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 Gabriel Ortega . . . 18609 1 2 David Castano . . . 18609 1 3 Tammo Diercks . . . 18609 1 4 Oscar Millet . . . 18609 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Domain motion' 18609 1 'Functional dynamics' 18609 1 Glucose 18609 1 'Periplasmic Binding Protein' 18609 1 'Solution structure' 18609 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18609 _Assembly.ID 1 _Assembly.Name 'GGBP - Glucose' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 30000 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 GGBP 1 $GGBP A . yes native no no . . . 18609 1 2 Glucose 2 $entity_BGC A . no native no no . . . 18609 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 yes PDB 2lw2 . . 'solution NMR' . apoGGBP 'Unliganded NMR solution structure of GGBP' 18609 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GGBP _Entity.Sf_category entity _Entity.Sf_framecode GGBP _Entity.Entry_ID 18609 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name GGBP _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 ; MADTRIGVTIYKYDDNFMSV VRKAIEQDAKAAPDVQLLMN DSQNDQSKQNDQIDVLLAKG VKALAINLVDPAAAGTVIEK ARGQNVPVVFFNKEPSRKAL DSYDKAYYVGTDSKESGIIQ GDLIAKHWAANQGWDLNKDG QIQFVLLKGEPGHPDAEART TYVIKELNDKGIKTEQLQLD TAMWDTAQAKDKMDAWLSGP NANKIEVVIANNDAMAMGAV EALKAHNKSSIPVFGVDALP EALALVKSGALAGTVLNDAN NQAKATFDLAKNLADGKGAA DGTNWKIDNKVVRVPYVGVD KDNLAEFSKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 310 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 30000 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 BMRB 18601 . GGBP_unbound . . . . . 100.00 310 100.00 100.00 0.00e+00 . . . . 18609 1 2 no PDB 1GLG . "Crystallographic Analysis Of The Epimeric And Anomeric Specificity Of The Periplasmic Transport(Slash)chemotactic Protein Recep" . . . . . 99.68 309 100.00 100.00 0.00e+00 . . . . 18609 1 3 no PDB 2FVY . "High Resolution Glucose Bound Crystal Structure Of Ggbp" . . . . . 99.68 309 100.00 100.00 0.00e+00 . . . . 18609 1 4 no PDB 2FW0 . "Apo Open Form Of Glucose/galactose Binding Protein" . . . . . 99.68 309 100.00 100.00 0.00e+00 . . . . 18609 1 5 no PDB 2GBP . "Sugar And Signal-Transducer Binding Sites Of The Escherichia Coli Galactose Chemoreceptor Protein" . . . . . 99.68 309 100.00 100.00 0.00e+00 . . . . 18609 1 6 no PDB 2HPH . "High Resolution Structure Of E. Coli GlucoseGALACTOSE Binding Protein Bound With Glucose" . . . . . 100.00 316 100.00 100.00 0.00e+00 . . . . 18609 1 7 no PDB 2IPL . "Crystal Structure Of A Disulfide Mutant Glucose Binding Protein" . . . . . 100.00 318 99.35 99.35 0.00e+00 . . . . 18609 1 8 no PDB 2IPM . "Crystal Structure Of A Disulfide Mutant Glucose Binding Protein" . . . . . 100.00 318 99.35 99.35 0.00e+00 . . . . 18609 1 9 no PDB 2IPN . "Crystal Structure Of A Disulfide Mutant Glucose Binding Protein" . . . . . 100.00 318 99.35 99.35 0.00e+00 . . . . 18609 1 10 no PDB 2QW1 . "GlucoseGALACTOSE BINDING PROTEIN BOUND TO 3-O-Methyl D-Glucose" . . . . . 99.68 309 100.00 100.00 0.00e+00 . . . . 18609 1 11 no DBJ BAB36465 . "galactose-binding transport protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 99.68 332 100.00 100.00 0.00e+00 . . . . 18609 1 12 no DBJ BAE76627 . "methyl-galactoside transporter subunit [Escherichia coli str. K12 substr. W3110]" . . . . . 99.68 332 100.00 100.00 0.00e+00 . . . . 18609 1 13 no DBJ BAG77941 . "methyl-galactoside ABC transporter substrate binding component [Escherichia coli SE11]" . . . . . 99.68 332 100.00 100.00 0.00e+00 . . . . 18609 1 14 no DBJ BAI26274 . "galactose-binding transport protein MglB [Escherichia coli O26:H11 str. 11368]" . . . . . 99.68 332 100.00 100.00 0.00e+00 . . . . 18609 1 15 no DBJ BAI31400 . "galactose-binding transport protein MglB [Escherichia coli O103:H2 str. 12009]" . . . . . 99.68 332 100.00 100.00 0.00e+00 . . . . 18609 1 16 no EMBL CAA29132 . "GBP(mg1B) [Escherichia coli]" . . . . . 99.68 332 100.00 100.00 0.00e+00 . . . . 18609 1 17 no EMBL CAP76652 . "D-galactose-binding periplasmic protein [Escherichia coli LF82]" . . . . . 99.68 332 100.00 100.00 0.00e+00 . . . . 18609 1 18 no EMBL CAQ89737 . "methyl-galactoside transporter subunit ; periplasmic-binding component of ABC superfamily [Escherichia fergusonii ATCC 35469]" . . . . . 99.68 332 100.00 100.00 0.00e+00 . . . . 18609 1 19 no EMBL CAQ99072 . "methyl-galactoside transporter subunit ; periplasmic-binding component of ABC superfamily [Escherichia coli IAI1]" . . . . . 99.68 332 100.00 100.00 0.00e+00 . . . . 18609 1 20 no EMBL CAR03578 . "methyl-galactoside transporter subunit ; periplasmic-binding component of ABC superfamily [Escherichia coli S88]" . . . . . 99.68 332 100.00 100.00 0.00e+00 . . . . 18609 1 21 no GB AAA24169 . "galactoside binding protein [Escherichia coli]" . . . . . 99.68 332 100.00 100.00 0.00e+00 . . . . 18609 1 22 no GB AAA60523 . "D-galactose periplasmic binding protein [Escherichia coli]" . . . . . 99.68 332 100.00 100.00 0.00e+00 . . . . 18609 1 23 no GB AAC75211 . "methyl-galactoside transporter subunit [Escherichia coli str. K-12 substr. MG1655]" . . . . . 99.68 332 100.00 100.00 0.00e+00 . . . . 18609 1 24 no GB AAG57288 . "galactose-binding transport protein; receptor for galactose taxis [Escherichia coli O157:H7 str. EDL933]" . . . . . 99.68 332 100.00 100.00 0.00e+00 . . . . 18609 1 25 no GB AAN43756 . "galactose-binding transport protein; receptor for galactose taxis [Shigella flexneri 2a str. 301]" . . . . . 99.68 332 100.00 100.00 0.00e+00 . . . . 18609 1 26 no PRF 2014253AU . "mglB gene" . . . . . 99.68 332 100.00 100.00 0.00e+00 . . . . 18609 1 27 no REF NP_311069 . "galactose-binding transport protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 99.68 332 100.00 100.00 0.00e+00 . . . . 18609 1 28 no REF NP_416655 . "methyl-galactoside transporter subunit [Escherichia coli str. K-12 substr. MG1655]" . . . . . 99.68 332 100.00 100.00 0.00e+00 . . . . 18609 1 29 no REF NP_708049 . "methyl-galactoside ABC transporter substrate-binding protein MglB [Shigella flexneri 2a str. 301]" . . . . . 99.68 332 100.00 100.00 0.00e+00 . . . . 18609 1 30 no REF WP_001035789 . "galactose ABC transporter substrate-binding protein [Escherichia coli]" . . . . . 99.68 332 100.00 100.00 0.00e+00 . . . . 18609 1 31 no REF WP_001036935 . "galactose ABC transporter substrate-binding protein [Escherichia fergusonii]" . . . . . 99.68 332 100.00 100.00 0.00e+00 . . . . 18609 1 32 no SP P0AEE5 . "RecName: Full=D-galactose-binding periplasmic protein; Short=GBP; AltName: Full=D-galactose/ D-glucose-binding protein; Short=G" . . . . . 99.68 332 100.00 100.00 0.00e+00 . . . . 18609 1 33 no SP P0AEE6 . "RecName: Full=D-galactose-binding periplasmic protein; Short=GBP; AltName: Full=D-galactose/ D-glucose-binding protein; Short=G" . . . . . 99.68 332 100.00 100.00 0.00e+00 . . . . 18609 1 34 no SP P0AEE7 . "RecName: Full=D-galactose-binding periplasmic protein; Short=GBP; AltName: Full=D-galactose/ D-glucose-binding protein; Short=G" . . . . . 99.68 332 100.00 100.00 0.00e+00 . . . . 18609 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'First receptor in the chemotactic response' 18609 1 'Sugar binding causes closure of the two domains of the protein' 18609 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 0 MET . 18609 1 2 1 ALA . 18609 1 3 2 ASP . 18609 1 4 3 THR . 18609 1 5 4 ARG . 18609 1 6 5 ILE . 18609 1 7 6 GLY . 18609 1 8 7 VAL . 18609 1 9 8 THR . 18609 1 10 9 ILE . 18609 1 11 10 TYR . 18609 1 12 11 LYS . 18609 1 13 12 TYR . 18609 1 14 13 ASP . 18609 1 15 14 ASP . 18609 1 16 15 ASN . 18609 1 17 16 PHE . 18609 1 18 17 MET . 18609 1 19 18 SER . 18609 1 20 19 VAL . 18609 1 21 20 VAL . 18609 1 22 21 ARG . 18609 1 23 22 LYS . 18609 1 24 23 ALA . 18609 1 25 24 ILE . 18609 1 26 25 GLU . 18609 1 27 26 GLN . 18609 1 28 27 ASP . 18609 1 29 28 ALA . 18609 1 30 29 LYS . 18609 1 31 30 ALA . 18609 1 32 31 ALA . 18609 1 33 32 PRO . 18609 1 34 33 ASP . 18609 1 35 34 VAL . 18609 1 36 35 GLN . 18609 1 37 36 LEU . 18609 1 38 37 LEU . 18609 1 39 38 MET . 18609 1 40 39 ASN . 18609 1 41 40 ASP . 18609 1 42 41 SER . 18609 1 43 42 GLN . 18609 1 44 43 ASN . 18609 1 45 44 ASP . 18609 1 46 45 GLN . 18609 1 47 46 SER . 18609 1 48 47 LYS . 18609 1 49 48 GLN . 18609 1 50 49 ASN . 18609 1 51 50 ASP . 18609 1 52 51 GLN . 18609 1 53 52 ILE . 18609 1 54 53 ASP . 18609 1 55 54 VAL . 18609 1 56 55 LEU . 18609 1 57 56 LEU . 18609 1 58 57 ALA . 18609 1 59 58 LYS . 18609 1 60 59 GLY . 18609 1 61 60 VAL . 18609 1 62 61 LYS . 18609 1 63 62 ALA . 18609 1 64 63 LEU . 18609 1 65 64 ALA . 18609 1 66 65 ILE . 18609 1 67 66 ASN . 18609 1 68 67 LEU . 18609 1 69 68 VAL . 18609 1 70 69 ASP . 18609 1 71 70 PRO . 18609 1 72 71 ALA . 18609 1 73 72 ALA . 18609 1 74 73 ALA . 18609 1 75 74 GLY . 18609 1 76 75 THR . 18609 1 77 76 VAL . 18609 1 78 77 ILE . 18609 1 79 78 GLU . 18609 1 80 79 LYS . 18609 1 81 80 ALA . 18609 1 82 81 ARG . 18609 1 83 82 GLY . 18609 1 84 83 GLN . 18609 1 85 84 ASN . 18609 1 86 85 VAL . 18609 1 87 86 PRO . 18609 1 88 87 VAL . 18609 1 89 88 VAL . 18609 1 90 89 PHE . 18609 1 91 90 PHE . 18609 1 92 91 ASN . 18609 1 93 92 LYS . 18609 1 94 93 GLU . 18609 1 95 94 PRO . 18609 1 96 95 SER . 18609 1 97 96 ARG . 18609 1 98 97 LYS . 18609 1 99 98 ALA . 18609 1 100 99 LEU . 18609 1 101 100 ASP . 18609 1 102 101 SER . 18609 1 103 102 TYR . 18609 1 104 103 ASP . 18609 1 105 104 LYS . 18609 1 106 105 ALA . 18609 1 107 106 TYR . 18609 1 108 107 TYR . 18609 1 109 108 VAL . 18609 1 110 109 GLY . 18609 1 111 110 THR . 18609 1 112 111 ASP . 18609 1 113 112 SER . 18609 1 114 113 LYS . 18609 1 115 114 GLU . 18609 1 116 115 SER . 18609 1 117 116 GLY . 18609 1 118 117 ILE . 18609 1 119 118 ILE . 18609 1 120 119 GLN . 18609 1 121 120 GLY . 18609 1 122 121 ASP . 18609 1 123 122 LEU . 18609 1 124 123 ILE . 18609 1 125 124 ALA . 18609 1 126 125 LYS . 18609 1 127 126 HIS . 18609 1 128 127 TRP . 18609 1 129 128 ALA . 18609 1 130 129 ALA . 18609 1 131 130 ASN . 18609 1 132 131 GLN . 18609 1 133 132 GLY . 18609 1 134 133 TRP . 18609 1 135 134 ASP . 18609 1 136 135 LEU . 18609 1 137 136 ASN . 18609 1 138 137 LYS . 18609 1 139 138 ASP . 18609 1 140 139 GLY . 18609 1 141 140 GLN . 18609 1 142 141 ILE . 18609 1 143 142 GLN . 18609 1 144 143 PHE . 18609 1 145 144 VAL . 18609 1 146 145 LEU . 18609 1 147 146 LEU . 18609 1 148 147 LYS . 18609 1 149 148 GLY . 18609 1 150 149 GLU . 18609 1 151 150 PRO . 18609 1 152 151 GLY . 18609 1 153 152 HIS . 18609 1 154 153 PRO . 18609 1 155 154 ASP . 18609 1 156 155 ALA . 18609 1 157 156 GLU . 18609 1 158 157 ALA . 18609 1 159 158 ARG . 18609 1 160 159 THR . 18609 1 161 160 THR . 18609 1 162 161 TYR . 18609 1 163 162 VAL . 18609 1 164 163 ILE . 18609 1 165 164 LYS . 18609 1 166 165 GLU . 18609 1 167 166 LEU . 18609 1 168 167 ASN . 18609 1 169 168 ASP . 18609 1 170 169 LYS . 18609 1 171 170 GLY . 18609 1 172 171 ILE . 18609 1 173 172 LYS . 18609 1 174 173 THR . 18609 1 175 174 GLU . 18609 1 176 175 GLN . 18609 1 177 176 LEU . 18609 1 178 177 GLN . 18609 1 179 178 LEU . 18609 1 180 179 ASP . 18609 1 181 180 THR . 18609 1 182 181 ALA . 18609 1 183 182 MET . 18609 1 184 183 TRP . 18609 1 185 184 ASP . 18609 1 186 185 THR . 18609 1 187 186 ALA . 18609 1 188 187 GLN . 18609 1 189 188 ALA . 18609 1 190 189 LYS . 18609 1 191 190 ASP . 18609 1 192 191 LYS . 18609 1 193 192 MET . 18609 1 194 193 ASP . 18609 1 195 194 ALA . 18609 1 196 195 TRP . 18609 1 197 196 LEU . 18609 1 198 197 SER . 18609 1 199 198 GLY . 18609 1 200 199 PRO . 18609 1 201 200 ASN . 18609 1 202 201 ALA . 18609 1 203 202 ASN . 18609 1 204 203 LYS . 18609 1 205 204 ILE . 18609 1 206 205 GLU . 18609 1 207 206 VAL . 18609 1 208 207 VAL . 18609 1 209 208 ILE . 18609 1 210 209 ALA . 18609 1 211 210 ASN . 18609 1 212 211 ASN . 18609 1 213 212 ASP . 18609 1 214 213 ALA . 18609 1 215 214 MET . 18609 1 216 215 ALA . 18609 1 217 216 MET . 18609 1 218 217 GLY . 18609 1 219 218 ALA . 18609 1 220 219 VAL . 18609 1 221 220 GLU . 18609 1 222 221 ALA . 18609 1 223 222 LEU . 18609 1 224 223 LYS . 18609 1 225 224 ALA . 18609 1 226 225 HIS . 18609 1 227 226 ASN . 18609 1 228 227 LYS . 18609 1 229 228 SER . 18609 1 230 229 SER . 18609 1 231 230 ILE . 18609 1 232 231 PRO . 18609 1 233 232 VAL . 18609 1 234 233 PHE . 18609 1 235 234 GLY . 18609 1 236 235 VAL . 18609 1 237 236 ASP . 18609 1 238 237 ALA . 18609 1 239 238 LEU . 18609 1 240 239 PRO . 18609 1 241 240 GLU . 18609 1 242 241 ALA . 18609 1 243 242 LEU . 18609 1 244 243 ALA . 18609 1 245 244 LEU . 18609 1 246 245 VAL . 18609 1 247 246 LYS . 18609 1 248 247 SER . 18609 1 249 248 GLY . 18609 1 250 249 ALA . 18609 1 251 250 LEU . 18609 1 252 251 ALA . 18609 1 253 252 GLY . 18609 1 254 253 THR . 18609 1 255 254 VAL . 18609 1 256 255 LEU . 18609 1 257 256 ASN . 18609 1 258 257 ASP . 18609 1 259 258 ALA . 18609 1 260 259 ASN . 18609 1 261 260 ASN . 18609 1 262 261 GLN . 18609 1 263 262 ALA . 18609 1 264 263 LYS . 18609 1 265 264 ALA . 18609 1 266 265 THR . 18609 1 267 266 PHE . 18609 1 268 267 ASP . 18609 1 269 268 LEU . 18609 1 270 269 ALA . 18609 1 271 270 LYS . 18609 1 272 271 ASN . 18609 1 273 272 LEU . 18609 1 274 273 ALA . 18609 1 275 274 ASP . 18609 1 276 275 GLY . 18609 1 277 276 LYS . 18609 1 278 277 GLY . 18609 1 279 278 ALA . 18609 1 280 279 ALA . 18609 1 281 280 ASP . 18609 1 282 281 GLY . 18609 1 283 282 THR . 18609 1 284 283 ASN . 18609 1 285 284 TRP . 18609 1 286 285 LYS . 18609 1 287 286 ILE . 18609 1 288 287 ASP . 18609 1 289 288 ASN . 18609 1 290 289 LYS . 18609 1 291 290 VAL . 18609 1 292 291 VAL . 18609 1 293 292 ARG . 18609 1 294 293 VAL . 18609 1 295 294 PRO . 18609 1 296 295 TYR . 18609 1 297 296 VAL . 18609 1 298 297 GLY . 18609 1 299 298 VAL . 18609 1 300 299 ASP . 18609 1 301 300 LYS . 18609 1 302 301 ASP . 18609 1 303 302 ASN . 18609 1 304 303 LEU . 18609 1 305 304 ALA . 18609 1 306 305 GLU . 18609 1 307 306 PHE . 18609 1 308 307 SER . 18609 1 309 308 LYS . 18609 1 310 309 LYS . 18609 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 18609 1 . ALA 2 2 18609 1 . ASP 3 3 18609 1 . THR 4 4 18609 1 . ARG 5 5 18609 1 . ILE 6 6 18609 1 . GLY 7 7 18609 1 . VAL 8 8 18609 1 . THR 9 9 18609 1 . ILE 10 10 18609 1 . TYR 11 11 18609 1 . LYS 12 12 18609 1 . TYR 13 13 18609 1 . ASP 14 14 18609 1 . ASP 15 15 18609 1 . ASN 16 16 18609 1 . PHE 17 17 18609 1 . MET 18 18 18609 1 . SER 19 19 18609 1 . VAL 20 20 18609 1 . VAL 21 21 18609 1 . ARG 22 22 18609 1 . LYS 23 23 18609 1 . ALA 24 24 18609 1 . ILE 25 25 18609 1 . GLU 26 26 18609 1 . GLN 27 27 18609 1 . ASP 28 28 18609 1 . ALA 29 29 18609 1 . LYS 30 30 18609 1 . ALA 31 31 18609 1 . ALA 32 32 18609 1 . PRO 33 33 18609 1 . ASP 34 34 18609 1 . VAL 35 35 18609 1 . GLN 36 36 18609 1 . LEU 37 37 18609 1 . LEU 38 38 18609 1 . MET 39 39 18609 1 . ASN 40 40 18609 1 . ASP 41 41 18609 1 . SER 42 42 18609 1 . GLN 43 43 18609 1 . ASN 44 44 18609 1 . ASP 45 45 18609 1 . GLN 46 46 18609 1 . SER 47 47 18609 1 . LYS 48 48 18609 1 . GLN 49 49 18609 1 . ASN 50 50 18609 1 . ASP 51 51 18609 1 . GLN 52 52 18609 1 . ILE 53 53 18609 1 . ASP 54 54 18609 1 . VAL 55 55 18609 1 . LEU 56 56 18609 1 . LEU 57 57 18609 1 . ALA 58 58 18609 1 . LYS 59 59 18609 1 . GLY 60 60 18609 1 . VAL 61 61 18609 1 . LYS 62 62 18609 1 . ALA 63 63 18609 1 . LEU 64 64 18609 1 . ALA 65 65 18609 1 . ILE 66 66 18609 1 . ASN 67 67 18609 1 . LEU 68 68 18609 1 . VAL 69 69 18609 1 . ASP 70 70 18609 1 . PRO 71 71 18609 1 . ALA 72 72 18609 1 . ALA 73 73 18609 1 . ALA 74 74 18609 1 . GLY 75 75 18609 1 . THR 76 76 18609 1 . VAL 77 77 18609 1 . ILE 78 78 18609 1 . GLU 79 79 18609 1 . LYS 80 80 18609 1 . ALA 81 81 18609 1 . ARG 82 82 18609 1 . GLY 83 83 18609 1 . GLN 84 84 18609 1 . ASN 85 85 18609 1 . VAL 86 86 18609 1 . PRO 87 87 18609 1 . VAL 88 88 18609 1 . VAL 89 89 18609 1 . PHE 90 90 18609 1 . PHE 91 91 18609 1 . ASN 92 92 18609 1 . LYS 93 93 18609 1 . GLU 94 94 18609 1 . PRO 95 95 18609 1 . SER 96 96 18609 1 . ARG 97 97 18609 1 . LYS 98 98 18609 1 . ALA 99 99 18609 1 . LEU 100 100 18609 1 . ASP 101 101 18609 1 . SER 102 102 18609 1 . TYR 103 103 18609 1 . ASP 104 104 18609 1 . LYS 105 105 18609 1 . ALA 106 106 18609 1 . TYR 107 107 18609 1 . TYR 108 108 18609 1 . VAL 109 109 18609 1 . GLY 110 110 18609 1 . THR 111 111 18609 1 . ASP 112 112 18609 1 . SER 113 113 18609 1 . LYS 114 114 18609 1 . GLU 115 115 18609 1 . SER 116 116 18609 1 . GLY 117 117 18609 1 . ILE 118 118 18609 1 . ILE 119 119 18609 1 . GLN 120 120 18609 1 . GLY 121 121 18609 1 . ASP 122 122 18609 1 . LEU 123 123 18609 1 . ILE 124 124 18609 1 . ALA 125 125 18609 1 . LYS 126 126 18609 1 . HIS 127 127 18609 1 . TRP 128 128 18609 1 . ALA 129 129 18609 1 . ALA 130 130 18609 1 . ASN 131 131 18609 1 . GLN 132 132 18609 1 . GLY 133 133 18609 1 . TRP 134 134 18609 1 . ASP 135 135 18609 1 . LEU 136 136 18609 1 . ASN 137 137 18609 1 . LYS 138 138 18609 1 . ASP 139 139 18609 1 . GLY 140 140 18609 1 . GLN 141 141 18609 1 . ILE 142 142 18609 1 . GLN 143 143 18609 1 . PHE 144 144 18609 1 . VAL 145 145 18609 1 . LEU 146 146 18609 1 . LEU 147 147 18609 1 . LYS 148 148 18609 1 . GLY 149 149 18609 1 . GLU 150 150 18609 1 . PRO 151 151 18609 1 . GLY 152 152 18609 1 . HIS 153 153 18609 1 . PRO 154 154 18609 1 . ASP 155 155 18609 1 . ALA 156 156 18609 1 . GLU 157 157 18609 1 . ALA 158 158 18609 1 . ARG 159 159 18609 1 . THR 160 160 18609 1 . THR 161 161 18609 1 . TYR 162 162 18609 1 . VAL 163 163 18609 1 . ILE 164 164 18609 1 . LYS 165 165 18609 1 . GLU 166 166 18609 1 . LEU 167 167 18609 1 . ASN 168 168 18609 1 . ASP 169 169 18609 1 . LYS 170 170 18609 1 . GLY 171 171 18609 1 . ILE 172 172 18609 1 . LYS 173 173 18609 1 . THR 174 174 18609 1 . GLU 175 175 18609 1 . GLN 176 176 18609 1 . LEU 177 177 18609 1 . GLN 178 178 18609 1 . LEU 179 179 18609 1 . ASP 180 180 18609 1 . THR 181 181 18609 1 . ALA 182 182 18609 1 . MET 183 183 18609 1 . TRP 184 184 18609 1 . ASP 185 185 18609 1 . THR 186 186 18609 1 . ALA 187 187 18609 1 . GLN 188 188 18609 1 . ALA 189 189 18609 1 . LYS 190 190 18609 1 . ASP 191 191 18609 1 . LYS 192 192 18609 1 . MET 193 193 18609 1 . ASP 194 194 18609 1 . ALA 195 195 18609 1 . TRP 196 196 18609 1 . LEU 197 197 18609 1 . SER 198 198 18609 1 . GLY 199 199 18609 1 . PRO 200 200 18609 1 . ASN 201 201 18609 1 . ALA 202 202 18609 1 . ASN 203 203 18609 1 . LYS 204 204 18609 1 . ILE 205 205 18609 1 . GLU 206 206 18609 1 . VAL 207 207 18609 1 . VAL 208 208 18609 1 . ILE 209 209 18609 1 . ALA 210 210 18609 1 . ASN 211 211 18609 1 . ASN 212 212 18609 1 . ASP 213 213 18609 1 . ALA 214 214 18609 1 . MET 215 215 18609 1 . ALA 216 216 18609 1 . MET 217 217 18609 1 . GLY 218 218 18609 1 . ALA 219 219 18609 1 . VAL 220 220 18609 1 . GLU 221 221 18609 1 . ALA 222 222 18609 1 . LEU 223 223 18609 1 . LYS 224 224 18609 1 . ALA 225 225 18609 1 . HIS 226 226 18609 1 . ASN 227 227 18609 1 . LYS 228 228 18609 1 . SER 229 229 18609 1 . SER 230 230 18609 1 . ILE 231 231 18609 1 . PRO 232 232 18609 1 . VAL 233 233 18609 1 . PHE 234 234 18609 1 . GLY 235 235 18609 1 . VAL 236 236 18609 1 . ASP 237 237 18609 1 . ALA 238 238 18609 1 . LEU 239 239 18609 1 . PRO 240 240 18609 1 . GLU 241 241 18609 1 . ALA 242 242 18609 1 . LEU 243 243 18609 1 . ALA 244 244 18609 1 . LEU 245 245 18609 1 . VAL 246 246 18609 1 . LYS 247 247 18609 1 . SER 248 248 18609 1 . GLY 249 249 18609 1 . ALA 250 250 18609 1 . LEU 251 251 18609 1 . ALA 252 252 18609 1 . GLY 253 253 18609 1 . THR 254 254 18609 1 . VAL 255 255 18609 1 . LEU 256 256 18609 1 . ASN 257 257 18609 1 . ASP 258 258 18609 1 . ALA 259 259 18609 1 . ASN 260 260 18609 1 . ASN 261 261 18609 1 . GLN 262 262 18609 1 . ALA 263 263 18609 1 . LYS 264 264 18609 1 . ALA 265 265 18609 1 . THR 266 266 18609 1 . PHE 267 267 18609 1 . ASP 268 268 18609 1 . LEU 269 269 18609 1 . ALA 270 270 18609 1 . LYS 271 271 18609 1 . ASN 272 272 18609 1 . LEU 273 273 18609 1 . ALA 274 274 18609 1 . ASP 275 275 18609 1 . GLY 276 276 18609 1 . LYS 277 277 18609 1 . GLY 278 278 18609 1 . ALA 279 279 18609 1 . ALA 280 280 18609 1 . ASP 281 281 18609 1 . GLY 282 282 18609 1 . THR 283 283 18609 1 . ASN 284 284 18609 1 . TRP 285 285 18609 1 . LYS 286 286 18609 1 . ILE 287 287 18609 1 . ASP 288 288 18609 1 . ASN 289 289 18609 1 . LYS 290 290 18609 1 . VAL 291 291 18609 1 . VAL 292 292 18609 1 . ARG 293 293 18609 1 . VAL 294 294 18609 1 . PRO 295 295 18609 1 . TYR 296 296 18609 1 . VAL 297 297 18609 1 . GLY 298 298 18609 1 . VAL 299 299 18609 1 . ASP 300 300 18609 1 . LYS 301 301 18609 1 . ASP 302 302 18609 1 . ASN 303 303 18609 1 . LEU 304 304 18609 1 . ALA 305 305 18609 1 . GLU 306 306 18609 1 . PHE 307 307 18609 1 . SER 308 308 18609 1 . LYS 309 309 18609 1 . LYS 310 310 18609 1 stop_ save_ save_entity_BGC _Entity.Sf_category entity _Entity.Sf_framecode entity_BGC _Entity.Entry_ID 18609 _Entity.ID 2 _Entity.BMRB_code BGC _Entity.Name BETA-D-GLUCOSE _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID BGC _Entity.Nonpolymer_comp_label $chem_comp_BGC _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 180.156 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID BETA-D-GLUCOSE BMRB 18609 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID BETA-D-GLUCOSE BMRB 18609 2 BGC 'Three letter code' 18609 2 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 BGC $chem_comp_BGC 18609 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 BGC C1 18609 2 2 1 BGC C2 18609 2 3 1 BGC C3 18609 2 4 1 BGC C4 18609 2 5 1 BGC C5 18609 2 6 1 BGC C6 18609 2 7 1 BGC H1 18609 2 8 1 BGC H2 18609 2 9 1 BGC H3 18609 2 10 1 BGC H4 18609 2 11 1 BGC H5 18609 2 12 1 BGC H6 18609 2 13 1 BGC H6C1 18609 2 14 1 BGC H6C2 18609 2 15 1 BGC HA 18609 2 16 1 BGC HB 18609 2 17 1 BGC HC 18609 2 18 1 BGC HD 18609 2 19 1 BGC O1 18609 2 20 1 BGC O2 18609 2 21 1 BGC O3 18609 2 22 1 BGC O4 18609 2 23 1 BGC O5 18609 2 24 1 BGC O6 18609 2 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 18609 _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 $GGBP . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 18609 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 18609 _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 $GGBP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pET11-d . . . 'Ampiciline resitant' . . 18609 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_BGC _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_BGC _Chem_comp.Entry_ID 18609 _Chem_comp.ID BGC _Chem_comp.Provenance PDB _Chem_comp.Name BETA-D-GLUCOSE _Chem_comp.Type SACCHARIDE _Chem_comp.BMRB_code BGC _Chem_comp.PDB_code BGC _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-06-23 _Chem_comp.Modified_date 2012-06-23 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code BGC _Chem_comp.Number_atoms_all 24 _Chem_comp.Number_atoms_nh 12 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C6 H12 O6' _Chem_comp.Formula_weight 180.156 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1GU3 _Chem_comp.Processing_site EBI _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C(C1C(C(C(C(O1)O)O)O)O)O SMILES 'OpenEye OEToolkits' 1.7.6 18609 BGC C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 18609 BGC InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 InChI InChI 1.03 18609 BGC OC1C(O)C(OC(O)C1O)CO SMILES ACDLabs 12.01 18609 BGC OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O SMILES_CANONICAL CACTVS 3.370 18609 BGC OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O SMILES CACTVS 3.370 18609 BGC WQZGKKKJIJFFOK-VFUOTHLCSA-N InChIKey InChI 1.03 18609 BGC stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID (2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 18609 BGC beta-D-glucopyranose 'SYSTEMATIC NAME' ACDLabs 12.01 18609 BGC stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C2 C2 C2 C2 . C . . R 0 . . . 1 no no . . . . -10.996 . 33.341 . 27.027 . -1.599 0.273 -0.228 1 . 18609 BGC C3 C3 C3 C3 . C . . S 0 . . . 1 no no . . . . -12.038 . 32.592 . 26.187 . -1.032 -1.069 0.244 2 . 18609 BGC C4 C4 C4 C4 . C . . S 0 . . . 1 no no . . . . -11.494 . 31.246 . 25.653 . 0.406 -1.210 -0.265 3 . 18609 BGC C5 C5 C5 C5 . C . . R 0 . . . 1 no no . . . . -10.708 . 30.453 . 26.718 . 1.234 -0.022 0.232 4 . 18609 BGC C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . -9.957 . 29.291 . 26.064 . 2.657 -0.124 -0.322 5 . 18609 BGC C1 C1 C1 C1 . C . . R 0 . . . 1 no no . . . . -10.467 . 32.372 . 28.084 . -0.694 1.404 0.269 6 . 18609 BGC O1 O1 O1 O1 . O . . N 0 . . . 1 no yes . . . . -9.562 . 33.031 . 28.945 . -1.186 2.655 -0.214 7 . 18609 BGC O2 O2 O2 O2 . O . . N 0 . . . 1 no no . . . . -11.604 . 34.434 . 27.662 . -2.915 0.448 0.302 8 . 18609 BGC O3 O3 O3 O3 . O . . N 0 . . . 1 no no . . . . -12.595 . 33.387 . 25.141 . -1.829 -2.135 -0.276 9 . 18609 BGC O4 O4 O4 O4 . O . . N 0 . . . 1 no no . . . . -12.566 . 30.471 . 25.149 . 0.971 -2.426 0.229 10 . 18609 BGC O5 O5 O5 O5 . O . . N 0 . . . 1 no no . . . . -9.808 . 31.290 . 27.452 . 0.635 1.195 -0.215 11 . 18609 BGC O6 O6 O6 O6 . O . . N 0 . . . 1 no no . . . . -9.968 . 28.157 . 26.895 . 3.460 0.918 0.235 12 . 18609 BGC H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . -10.168 . 33.665 . 26.379 . -1.639 0.290 -1.317 13 . 18609 BGC H3 H3 H3 H3 . H . . N 0 . . . 1 no no . . . . -12.857 . 32.335 . 26.875 . -1.038 -1.105 1.333 14 . 18609 BGC H4 H4 H4 H4 . H . . N 0 . . . 1 no no . . . . -10.799 . 31.475 . 24.832 . 0.407 -1.223 -1.355 15 . 18609 BGC H5 H5 H5 H5 . H . . N 0 . . . 1 no no . . . . -11.442 . 30.023 . 27.416 . 1.266 -0.033 1.322 16 . 18609 BGC H6C1 H6C1 H6C1 H6C1 . H . . N 0 . . . 0 no no . . . . -10.441 . 29.042 . 25.108 . 3.082 -1.092 -0.056 17 . 18609 BGC H6C2 H6C2 H6C2 H6C2 . H . . N 0 . . . 0 no no . . . . -8.915 . 29.593 . 25.880 . 2.632 -0.024 -1.407 18 . 18609 BGC H1 H1 H1 H1 . H . . N 0 . . . 1 no no . . . . -11.323 . 31.996 . 28.663 . -0.687 1.412 1.359 19 . 18609 BGC HA HA HA HA . H . . N 0 . . . 1 no yes . . . . -9.241 . 32.419 . 29.596 . -0.660 3.418 0.062 20 . 18609 BGC HB HB HB HB . H . . N 0 . . . 1 no no . . . . -10.958 . 34.898 . 28.182 . -3.336 1.279 0.043 21 . 18609 BGC HC HC HC HC . H . . N 0 . . . 1 no no . . . . -13.231 . 32.874 . 24.657 . -2.755 -2.104 0.001 22 . 18609 BGC HD HD HD HD . H . . N 0 . . . 1 no no . . . . -12.233 . 29.644 . 24.821 . 0.493 -3.221 -0.044 23 . 18609 BGC H6 H6 H6 H6 . H . . N 0 . . . 1 no no . . . . -9.498 . 27.449 . 26.471 . 4.377 0.915 -0.072 24 . 18609 BGC stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C2 C3 no N 1 . 18609 BGC 2 . SING C2 C1 no N 2 . 18609 BGC 3 . SING C2 O2 no N 3 . 18609 BGC 4 . SING C2 H2 no N 4 . 18609 BGC 5 . SING C3 C4 no N 5 . 18609 BGC 6 . SING C3 O3 no N 6 . 18609 BGC 7 . SING C3 H3 no N 7 . 18609 BGC 8 . SING C4 C5 no N 8 . 18609 BGC 9 . SING C4 O4 no N 9 . 18609 BGC 10 . SING C4 H4 no N 10 . 18609 BGC 11 . SING C5 C6 no N 11 . 18609 BGC 12 . SING C5 O5 no N 12 . 18609 BGC 13 . SING C5 H5 no N 13 . 18609 BGC 14 . SING C6 O6 no N 14 . 18609 BGC 15 . SING C6 H6C1 no N 15 . 18609 BGC 16 . SING C6 H6C2 no N 16 . 18609 BGC 17 . SING C1 O1 no N 17 . 18609 BGC 18 . SING C1 O5 no N 18 . 18609 BGC 19 . SING C1 H1 no N 19 . 18609 BGC 20 . SING O1 HA no N 20 . 18609 BGC 21 . SING O2 HB no N 21 . 18609 BGC 22 . SING O3 HC no N 22 . 18609 BGC 23 . SING O4 HD no N 23 . 18609 BGC 24 . SING O6 H6 no N 24 . 18609 BGC stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_assi _Sample.Sf_category sample _Sample.Sf_framecode sample_assi _Sample.Entry_ID 18609 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 Glucose 'natural abundance' . . . . . . 3 . . mM . . . . 18609 1 2 GGBP '[U-13C; U-15N; U-2H]' . . 1 $GGBP . . 1 . . mM . . . . 18609 1 3 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 18609 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 18609 1 5 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 18609 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18609 1 7 H2O 'natural abundance' . . . . . . 10 . . % . . . . 18609 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18609 _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 'ionic strength' 0.15 . M 18609 1 pH 7 . pH 18609 1 pressure 1 . atm 18609 1 temperature 310 . K 18609 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18609 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18609 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18609 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18609 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18609 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18609 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 18609 _Software.ID 3 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18609 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18609 3 'peak picking' 18609 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18609 _Software.ID 4 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18609 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18609 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 18609 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Equipped with a cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18609 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker INOVA . 800 'Equipped with a cryoprobe' . . 18609 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18609 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_assi isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18609 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_assi isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18609 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_assi isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18609 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_assi isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18609 1 5 '3D HNCB' no . . . . . . . . . . 1 $sample_assi isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18609 1 6 '3D HN(CO)CB' no . . . . . . . . . . 1 $sample_assi isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18609 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18609 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details '13C chemical shifts referenced to Bruker standards' 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 TMS 'methyl carbons' . . . . ppm -2.57 internal direct 1.0 . . . . . . . . . 18609 1 H 1 water protons . . . . ppm 4.706 internal direct 1.0 . . . . . . . . . 18609 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18609 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18609 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_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 '2D 1H-15N HSQC' . . . 18609 1 2 '3D HNCO' . . . 18609 1 3 '3D HNCA' . . . 18609 1 4 '3D HN(CO)CA' . . . 18609 1 5 '3D HNCB' . . . 18609 1 6 '3D HN(CO)CB' . . . 18609 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID '13C Bruker effect' 'all 13C' 13 +2.57 . 18609 1 'TROSY offset' . . . . 18609 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 2 2 ALA H H 1 7.008 . . 1 . . . . 1 Ala H . 18609 1 2 . 1 1 2 2 ALA CA C 13 49.149 . . 1 . . . . 1 Ala CA . 18609 1 3 . 1 1 2 2 ALA CB C 13 15.406 . . 1 . . . . 1 Ala CB . 18609 1 4 . 1 1 2 2 ALA N N 15 118.215 . . 1 . . . . 1 Ala N . 18609 1 5 . 1 1 3 3 ASP H H 1 8.169 . . 1 . . . . 2 Asp H . 18609 1 6 . 1 1 3 3 ASP CA C 13 51.594 . . 1 . . . . 2 Asp CA . 18609 1 7 . 1 1 3 3 ASP CB C 13 38.423 . . 1 . . . . 2 Asp CB . 18609 1 8 . 1 1 3 3 ASP N N 15 119.022 . . 1 . . . . 2 Asp N . 18609 1 9 . 1 1 4 4 THR H H 1 8.382 . . 1 . . . . 3 Thr H . 18609 1 10 . 1 1 4 4 THR CA C 13 59.736 . . 1 . . . . 3 Thr CA . 18609 1 11 . 1 1 4 4 THR CB C 13 53.137 . . 1 . . . . 3 Thr CB . 18609 1 12 . 1 1 4 4 THR N N 15 118.388 . . 1 . . . . 3 Thr N . 18609 1 13 . 1 1 5 5 ARG H H 1 8.515 . . 1 . . . . 4 Arg H . 18609 1 14 . 1 1 5 5 ARG CA C 13 52.108 . . 1 . . . . 4 Arg CA . 18609 1 15 . 1 1 5 5 ARG CB C 13 28.687 . . 1 . . . . 4 Arg CB . 18609 1 16 . 1 1 5 5 ARG N N 15 127.061 . . 1 . . . . 4 Arg N . 18609 1 17 . 1 1 6 6 ILE H H 1 8.547 . . 1 . . . . 5 Ile H . 18609 1 18 . 1 1 6 6 ILE CA C 13 56.955 . . 1 . . . . 5 Ile CA . 18609 1 19 . 1 1 6 6 ILE CB C 13 37.640 . . 1 . . . . 5 Ile CB . 18609 1 20 . 1 1 6 6 ILE N N 15 123.384 . . 1 . . . . 5 Ile N . 18609 1 21 . 1 1 7 7 GLY H H 1 8.413 . . 1 . . . . 6 Gly H . 18609 1 22 . 1 1 7 7 GLY CA C 13 43.027 . . 1 . . . . 6 Gly CA . 18609 1 23 . 1 1 7 7 GLY N N 15 112.377 . . 1 . . . . 6 Gly N . 18609 1 24 . 1 1 8 8 VAL H H 1 9.076 . . 1 . . . . 7 Val H . 18609 1 25 . 1 1 8 8 VAL CA C 13 56.715 . . 1 . . . . 7 Val CA . 18609 1 26 . 1 1 8 8 VAL CB C 13 32.116 . . 1 . . . . 7 Val CB . 18609 1 27 . 1 1 8 8 VAL N N 15 125.176 . . 1 . . . . 7 Val N . 18609 1 28 . 1 1 9 9 THR H H 1 8.588 . . 1 . . . . 8 Thr H . 18609 1 29 . 1 1 9 9 THR CA C 13 55.702 . . 1 . . . . 8 Thr CA . 18609 1 30 . 1 1 9 9 THR CB C 13 52.087 . . 1 . . . . 8 Thr CB . 18609 1 31 . 1 1 9 9 THR N N 15 115.532 . . 1 . . . . 8 Thr N . 18609 1 32 . 1 1 10 10 ILE H H 1 8.593 . . 1 . . . . 9 Ile H . 18609 1 33 . 1 1 10 10 ILE CA C 13 54.812 . . 1 . . . . 9 Ile CA . 18609 1 34 . 1 1 10 10 ILE CB C 13 33.831 . . 1 . . . . 9 Ile CB . 18609 1 35 . 1 1 10 10 ILE N N 15 123.874 . . 1 . . . . 9 Ile N . 18609 1 36 . 1 1 11 11 TYR H H 1 9.809 . . 1 . . . . 10 Tyr H . 18609 1 37 . 1 1 11 11 TYR CA C 13 58.819 . . 1 . . . . 10 Tyr CA . 18609 1 38 . 1 1 11 11 TYR CB C 13 33.017 . . 1 . . . . 10 Tyr CB . 18609 1 39 . 1 1 11 11 TYR N N 15 129.254 . . 1 . . . . 10 Tyr N . 18609 1 40 . 1 1 12 12 LYS H H 1 5.619 . . 1 . . . . 11 Lys H . 18609 1 41 . 1 1 12 12 LYS CA C 13 52.726 . . 1 . . . . 11 Lys CA . 18609 1 42 . 1 1 12 12 LYS CB C 13 30.605 . . 1 . . . . 11 Lys CB . 18609 1 43 . 1 1 12 12 LYS N N 15 115.203 . . 1 . . . . 11 Lys N . 18609 1 44 . 1 1 13 13 TYR H H 1 8.739 . . 1 . . . . 12 Tyr H . 18609 1 45 . 1 1 13 13 TYR CA C 13 55.263 . . 1 . . . . 12 Tyr CA . 18609 1 46 . 1 1 13 13 TYR CB C 13 33.761 . . 1 . . . . 12 Tyr CB . 18609 1 47 . 1 1 13 13 TYR N N 15 127.570 . . 1 . . . . 12 Tyr N . 18609 1 48 . 1 1 14 14 ASP H H 1 8.210 . . 1 . . . . 13 Asp H . 18609 1 49 . 1 1 14 14 ASP CA C 13 50.816 . . 1 . . . . 13 Asp CA . 18609 1 50 . 1 1 14 14 ASP CB C 13 35.975 . . 1 . . . . 13 Asp CB . 18609 1 51 . 1 1 14 14 ASP N N 15 112.598 . . 1 . . . . 13 Asp N . 18609 1 52 . 1 1 15 15 ASP H H 1 6.849 . . 1 . . . . 14 Asp H . 18609 1 53 . 1 1 15 15 ASP CA C 13 51.677 . . 1 . . . . 14 Asp CA . 18609 1 54 . 1 1 15 15 ASP CB C 13 40.742 . . 1 . . . . 14 Asp CB . 18609 1 55 . 1 1 15 15 ASP N N 15 121.955 . . 1 . . . . 14 Asp N . 18609 1 56 . 1 1 16 16 ASN H H 1 8.642 . . 1 . . . . 15 Asn H . 18609 1 57 . 1 1 16 16 ASN CA C 13 55.065 . . 1 . . . . 15 Asn CA . 18609 1 58 . 1 1 16 16 ASN CB C 13 34.563 . . 1 . . . . 15 Asn CB . 18609 1 59 . 1 1 16 16 ASN N N 15 125.417 . . 1 . . . . 15 Asn N . 18609 1 60 . 1 1 17 17 PHE H H 1 9.196 . . 1 . . . . 16 Phe H . 18609 1 61 . 1 1 17 17 PHE CA C 13 59.277 . . 1 . . . . 16 Phe CA . 18609 1 62 . 1 1 17 17 PHE CB C 13 36.936 . . 1 . . . . 16 Phe CB . 18609 1 63 . 1 1 17 17 PHE N N 15 122.049 . . 1 . . . . 16 Phe N . 18609 1 64 . 1 1 18 18 MET H H 1 9.982 . . 1 . . . . 17 Met H . 18609 1 65 . 1 1 18 18 MET CA C 13 52.102 . . 1 . . . . 17 Met CA . 18609 1 66 . 1 1 18 18 MET CB C 13 24.815 . . 1 . . . . 17 Met CB . 18609 1 67 . 1 1 18 18 MET N N 15 116.906 . . 1 . . . . 17 Met N . 18609 1 68 . 1 1 19 19 SER H H 1 8.574 . . 1 . . . . 18 Ser H . 18609 1 69 . 1 1 19 19 SER CA C 13 59.059 . . 1 . . . . 18 Ser CA . 18609 1 70 . 1 1 19 19 SER CB C 13 58.248 . . 1 . . . . 18 Ser CB . 18609 1 71 . 1 1 19 19 SER N N 15 117.264 . . 1 . . . . 18 Ser N . 18609 1 72 . 1 1 20 20 VAL H H 1 7.231 . . 1 . . . . 19 Val H . 18609 1 73 . 1 1 20 20 VAL CA C 13 62.885 . . 1 . . . . 19 Val CA . 18609 1 74 . 1 1 20 20 VAL CB C 13 27.725 . . 1 . . . . 19 Val CB . 18609 1 75 . 1 1 20 20 VAL N N 15 122.610 . . 1 . . . . 19 Val N . 18609 1 76 . 1 1 21 21 VAL H H 1 7.523 . . 1 . . . . 20 Val H . 18609 1 77 . 1 1 21 21 VAL CA C 13 63.487 . . 1 . . . . 20 Val CA . 18609 1 78 . 1 1 21 21 VAL CB C 13 28.316 . . 1 . . . . 20 Val CB . 18609 1 79 . 1 1 21 21 VAL N N 15 119.429 . . 1 . . . . 20 Val N . 18609 1 80 . 1 1 22 22 ARG H H 1 8.916 . . 1 . . . . 21 Arg H . 18609 1 81 . 1 1 22 22 ARG CA C 13 56.756 . . 1 . . . . 21 Arg CA . 18609 1 82 . 1 1 22 22 ARG CB C 13 26.146 . . 1 . . . . 21 Arg CB . 18609 1 83 . 1 1 22 22 ARG N N 15 118.493 . . 1 . . . . 21 Arg N . 18609 1 84 . 1 1 23 23 LYS H H 1 7.321 . . 1 . . . . 22 Lys H . 18609 1 85 . 1 1 23 23 LYS CA C 13 56.098 . . 1 . . . . 22 Lys CA . 18609 1 86 . 1 1 23 23 LYS CB C 13 28.497 . . 1 . . . . 22 Lys CB . 18609 1 87 . 1 1 23 23 LYS N N 15 117.838 . . 1 . . . . 22 Lys N . 18609 1 88 . 1 1 24 24 ALA H H 1 7.558 . . 1 . . . . 23 Ala H . 18609 1 89 . 1 1 24 24 ALA CA C 13 51.988 . . 1 . . . . 23 Ala CA . 18609 1 90 . 1 1 24 24 ALA CB C 13 14.213 . . 1 . . . . 23 Ala CB . 18609 1 91 . 1 1 24 24 ALA N N 15 122.142 . . 1 . . . . 23 Ala N . 18609 1 92 . 1 1 25 25 ILE H H 1 8.357 . . 1 . . . . 24 Ile H . 18609 1 93 . 1 1 25 25 ILE CA C 13 62.846 . . 1 . . . . 24 Ile CA . 18609 1 94 . 1 1 25 25 ILE CB C 13 34.297 . . 1 . . . . 24 Ile CB . 18609 1 95 . 1 1 25 25 ILE N N 15 119.241 . . 1 . . . . 24 Ile N . 18609 1 96 . 1 1 26 26 GLU H H 1 7.873 . . 1 . . . . 25 Glu H . 18609 1 97 . 1 1 26 26 GLU CA C 13 56.820 . . 1 . . . . 25 Glu CA . 18609 1 98 . 1 1 26 26 GLU CB C 13 26.293 . . 1 . . . . 25 Glu CB . 18609 1 99 . 1 1 26 26 GLU N N 15 117.564 . . 1 . . . . 25 Glu N . 18609 1 100 . 1 1 27 27 GLN H H 1 7.603 . . 1 . . . . 26 Gln H . 18609 1 101 . 1 1 27 27 GLN CA C 13 55.894 . . 1 . . . . 26 Gln CA . 18609 1 102 . 1 1 27 27 GLN CB C 13 26.966 . . 1 . . . . 26 Gln CB . 18609 1 103 . 1 1 27 27 GLN N N 15 120.523 . . 1 . . . . 26 Gln N . 18609 1 104 . 1 1 29 29 ALA H H 1 7.778 . . 1 . . . . 28 Ala H . 18609 1 105 . 1 1 29 29 ALA CA C 13 51.043 . . 1 . . . . 28 Ala CA . 18609 1 106 . 1 1 29 29 ALA CB C 13 15.196 . . 1 . . . . 28 Ala CB . 18609 1 107 . 1 1 29 29 ALA N N 15 120.083 . . 1 . . . . 28 Ala N . 18609 1 108 . 1 1 30 30 LYS H H 1 7.418 . . 1 . . . . 29 Lys H . 18609 1 109 . 1 1 30 30 LYS CA C 13 55.268 . . 1 . . . . 29 Lys CA . 18609 1 110 . 1 1 30 30 LYS CB C 13 28.507 . . 1 . . . . 29 Lys CB . 18609 1 111 . 1 1 30 30 LYS N N 15 117.701 . . 1 . . . . 29 Lys N . 18609 1 112 . 1 1 32 32 ALA H H 1 7.101 . . 1 . . . . 31 Ala H . 18609 1 113 . 1 1 32 32 ALA CA C 13 52.735 . . 1 . . . . 31 Ala CA . 18609 1 114 . 1 1 32 32 ALA CB C 13 15.721 . . 1 . . . . 31 Ala CB . 18609 1 115 . 1 1 32 32 ALA N N 15 119.900 . . 1 . . . . 31 Ala N . 18609 1 116 . 1 1 34 34 ASP H H 1 8.879 . . 1 . . . . 33 Asp H . 18609 1 117 . 1 1 34 34 ASP CA C 13 51.248 . . 1 . . . . 33 Asp CA . 18609 1 118 . 1 1 34 34 ASP CB C 13 36.685 . . 1 . . . . 33 Asp CB . 18609 1 119 . 1 1 34 34 ASP N N 15 115.218 . . 1 . . . . 33 Asp N . 18609 1 120 . 1 1 35 35 VAL H H 1 7.846 . . 1 . . . . 34 Val H . 18609 1 121 . 1 1 35 35 VAL CA C 13 57.650 . . 1 . . . . 34 Val CA . 18609 1 122 . 1 1 35 35 VAL CB C 13 30.469 . . 1 . . . . 34 Val CB . 18609 1 123 . 1 1 35 35 VAL N N 15 118.556 . . 1 . . . . 34 Val N . 18609 1 124 . 1 1 36 36 GLN H H 1 8.451 . . 1 . . . . 35 Gln H . 18609 1 125 . 1 1 36 36 GLN CA C 13 51.254 . . 1 . . . . 35 Gln CA . 18609 1 126 . 1 1 36 36 GLN CB C 13 27.708 . . 1 . . . . 35 Gln CB . 18609 1 127 . 1 1 36 36 GLN N N 15 125.648 . . 1 . . . . 35 Gln N . 18609 1 128 . 1 1 37 37 LEU H H 1 8.845 . . 1 . . . . 36 Leu H . 18609 1 129 . 1 1 37 37 LEU CA C 13 50.786 . . 1 . . . . 36 Leu CA . 18609 1 130 . 1 1 37 37 LEU CB C 13 39.690 . . 1 . . . . 36 Leu CB . 18609 1 131 . 1 1 37 37 LEU N N 15 126.373 . . 1 . . . . 36 Leu N . 18609 1 132 . 1 1 38 38 LEU H H 1 8.684 . . 1 . . . . 37 Leu H . 18609 1 133 . 1 1 38 38 LEU CA C 13 51.467 . . 1 . . . . 37 Leu CA . 18609 1 134 . 1 1 38 38 LEU CB C 13 38.286 . . 1 . . . . 37 Leu CB . 18609 1 135 . 1 1 38 38 LEU N N 15 128.066 . . 1 . . . . 37 Leu N . 18609 1 136 . 1 1 39 39 MET H H 1 8.403 . . 1 . . . . 38 Met H . 18609 1 137 . 1 1 39 39 MET CA C 13 51.471 . . 1 . . . . 38 Met CA . 18609 1 138 . 1 1 39 39 MET CB C 13 30.306 . . 1 . . . . 38 Met CB . 18609 1 139 . 1 1 39 39 MET N N 15 123.265 . . 1 . . . . 38 Met N . 18609 1 140 . 1 1 40 40 ASN H H 1 8.074 . . 1 . . . . 39 Asn H . 18609 1 141 . 1 1 40 40 ASN CA C 13 50.199 . . 1 . . . . 39 Asn CA . 18609 1 142 . 1 1 40 40 ASN CB C 13 40.182 . . 1 . . . . 39 Asn CB . 18609 1 143 . 1 1 40 40 ASN N N 15 120.551 . . 1 . . . . 39 Asn N . 18609 1 144 . 1 1 41 41 ASP H H 1 8.359 . . 1 . . . . 40 Asp H . 18609 1 145 . 1 1 41 41 ASP CA C 13 49.788 . . 1 . . . . 40 Asp CA . 18609 1 146 . 1 1 41 41 ASP CB C 13 37.050 . . 1 . . . . 40 Asp CB . 18609 1 147 . 1 1 41 41 ASP N N 15 121.019 . . 1 . . . . 40 Asp N . 18609 1 148 . 1 1 42 42 SER H H 1 9.066 . . 1 . . . . 41 Ser H . 18609 1 149 . 1 1 42 42 SER CA C 13 56.523 . . 1 . . . . 41 Ser CA . 18609 1 150 . 1 1 42 42 SER CB C 13 58.219 . . 1 . . . . 41 Ser CB . 18609 1 151 . 1 1 42 42 SER N N 15 123.846 . . 1 . . . . 41 Ser N . 18609 1 152 . 1 1 43 43 GLN H H 1 8.637 . . 1 . . . . 42 Gln H . 18609 1 153 . 1 1 43 43 GLN CA C 13 53.848 . . 1 . . . . 42 Gln CA . 18609 1 154 . 1 1 43 43 GLN CB C 13 23.538 . . 1 . . . . 42 Gln CB . 18609 1 155 . 1 1 43 43 GLN N N 15 113.814 . . 1 . . . . 42 Gln N . 18609 1 156 . 1 1 44 44 ASN H H 1 9.859 . . 1 . . . . 43 Asn H . 18609 1 157 . 1 1 44 44 ASN CA C 13 49.993 . . 1 . . . . 43 Asn CA . 18609 1 158 . 1 1 44 44 ASN CB C 13 36.635 . . 1 . . . . 43 Asn CB . 18609 1 159 . 1 1 44 44 ASN N N 15 114.159 . . 1 . . . . 43 Asn N . 18609 1 160 . 1 1 45 45 ASP H H 1 7.473 . . 1 . . . . 44 Asp H . 18609 1 161 . 1 1 45 45 ASP CA C 13 49.977 . . 1 . . . . 44 Asp CA . 18609 1 162 . 1 1 45 45 ASP CB C 13 39.967 . . 1 . . . . 44 Asp CB . 18609 1 163 . 1 1 45 45 ASP N N 15 117.835 . . 1 . . . . 44 Asp N . 18609 1 164 . 1 1 46 46 GLN H H 1 9.541 . . 1 . . . . 45 Gln H . 18609 1 165 . 1 1 46 46 GLN CA C 13 54.631 . . 1 . . . . 45 Gln CA . 18609 1 166 . 1 1 46 46 GLN CB C 13 25.584 . . 1 . . . . 45 Gln CB . 18609 1 167 . 1 1 46 46 GLN N N 15 128.052 . . 1 . . . . 45 Gln N . 18609 1 168 . 1 1 47 47 SER H H 1 8.398 . . 1 . . . . 46 Ser H . 18609 1 169 . 1 1 47 47 SER CA C 13 59.279 . . 1 . . . . 46 Ser CA . 18609 1 170 . 1 1 47 47 SER CB C 13 59.372 . . 1 . . . . 46 Ser CB . 18609 1 171 . 1 1 47 47 SER N N 15 115.630 . . 1 . . . . 46 Ser N . 18609 1 172 . 1 1 48 48 LYS H H 1 7.419 . . 1 . . . . 47 Lys H . 18609 1 173 . 1 1 48 48 LYS CA C 13 55.895 . . 1 . . . . 47 Lys CA . 18609 1 174 . 1 1 48 48 LYS CB C 13 27.803 . . 1 . . . . 47 Lys CB . 18609 1 175 . 1 1 48 48 LYS N N 15 123.612 . . 1 . . . . 47 Lys N . 18609 1 176 . 1 1 49 49 GLN H H 1 8.248 . . 1 . . . . 48 Gln H . 18609 1 177 . 1 1 49 49 GLN CA C 13 56.517 . . 1 . . . . 48 Gln CA . 18609 1 178 . 1 1 49 49 GLN CB C 13 26.256 . . 1 . . . . 48 Gln CB . 18609 1 179 . 1 1 49 49 GLN N N 15 119.990 . . 1 . . . . 48 Gln N . 18609 1 180 . 1 1 50 50 ASN H H 1 8.800 . . 1 . . . . 49 Asn H . 18609 1 181 . 1 1 50 50 ASN CA C 13 53.173 . . 1 . . . . 49 Asn CA . 18609 1 182 . 1 1 50 50 ASN CB C 13 33.577 . . 1 . . . . 49 Asn CB . 18609 1 183 . 1 1 50 50 ASN N N 15 119.804 . . 1 . . . . 49 Asn N . 18609 1 184 . 1 1 51 51 ASP H H 1 7.539 . . 1 . . . . 50 Asp H . 18609 1 185 . 1 1 51 51 ASP CA C 13 54.427 . . 1 . . . . 50 Asp CA . 18609 1 186 . 1 1 51 51 ASP CB C 13 37.044 . . 1 . . . . 50 Asp CB . 18609 1 187 . 1 1 51 51 ASP N N 15 120.454 . . 1 . . . . 50 Asp N . 18609 1 188 . 1 1 52 52 GLN H H 1 8.518 . . 1 . . . . 51 Gln H . 18609 1 189 . 1 1 52 52 GLN CA C 13 55.694 . . 1 . . . . 51 Gln CA . 18609 1 190 . 1 1 52 52 GLN CB C 13 23.586 . . 1 . . . . 51 Gln CB . 18609 1 191 . 1 1 52 52 GLN N N 15 119.897 . . 1 . . . . 51 Gln N . 18609 1 192 . 1 1 53 53 ILE H H 1 8.598 . . 1 . . . . 52 Ile H . 18609 1 193 . 1 1 53 53 ILE CA C 13 62.658 . . 1 . . . . 52 Ile CA . 18609 1 194 . 1 1 53 53 ILE CB C 13 33.739 . . 1 . . . . 52 Ile CB . 18609 1 195 . 1 1 53 53 ILE N N 15 120.547 . . 1 . . . . 52 Ile N . 18609 1 196 . 1 1 54 54 ASP H H 1 7.726 . . 1 . . . . 53 Asp H . 18609 1 197 . 1 1 54 54 ASP CA C 13 55.248 . . 1 . . . . 53 Asp CA . 18609 1 198 . 1 1 54 54 ASP CB C 13 36.444 . . 1 . . . . 53 Asp CB . 18609 1 199 . 1 1 54 54 ASP N N 15 120.454 . . 1 . . . . 53 Asp N . 18609 1 200 . 1 1 55 55 VAL H H 1 7.828 . . 1 . . . . 54 Val H . 18609 1 201 . 1 1 55 55 VAL CA C 13 63.494 . . 1 . . . . 54 Val CA . 18609 1 202 . 1 1 55 55 VAL CB C 13 28.111 . . 1 . . . . 54 Val CB . 18609 1 203 . 1 1 55 55 VAL N N 15 121.569 . . 1 . . . . 54 Val N . 18609 1 204 . 1 1 56 56 LEU H H 1 8.326 . . 1 . . . . 55 Leu H . 18609 1 205 . 1 1 56 56 LEU CA C 13 55.073 . . 1 . . . . 55 Leu CA . 18609 1 206 . 1 1 56 56 LEU CB C 13 38.522 . . 1 . . . . 55 Leu CB . 18609 1 207 . 1 1 56 56 LEU N N 15 119.990 . . 1 . . . . 55 Leu N . 18609 1 208 . 1 1 57 57 LEU H H 1 8.567 . . 1 . . . . 56 Leu H . 18609 1 209 . 1 1 57 57 LEU CA C 13 54.848 . . 1 . . . . 56 Leu CA . 18609 1 210 . 1 1 57 57 LEU CB C 13 37.077 . . 1 . . . . 56 Leu CB . 18609 1 211 . 1 1 57 57 LEU N N 15 117.947 . . 1 . . . . 56 Leu N . 18609 1 212 . 1 1 58 58 ALA H H 1 7.935 . . 1 . . . . 57 Ala H . 18609 1 213 . 1 1 58 58 ALA CA C 13 51.469 . . 1 . . . . 57 Ala CA . 18609 1 214 . 1 1 58 58 ALA CB C 13 14.501 . . 1 . . . . 57 Ala CB . 18609 1 215 . 1 1 58 58 ALA N N 15 123.847 . . 1 . . . . 57 Ala N . 18609 1 216 . 1 1 59 59 LYS H H 1 7.936 . . 1 . . . . 58 Lys H . 18609 1 217 . 1 1 59 59 LYS CA C 13 53.586 . . 1 . . . . 58 Lys CA . 18609 1 218 . 1 1 59 59 LYS CB C 13 29.096 . . 1 . . . . 58 Lys CB . 18609 1 219 . 1 1 59 59 LYS N N 15 117.526 . . 1 . . . . 58 Lys N . 18609 1 220 . 1 1 60 60 GLY H H 1 7.861 . . 1 . . . . 59 Gly H . 18609 1 221 . 1 1 60 60 GLY CA C 13 43.452 . . 1 . . . . 59 Gly CA . 18609 1 222 . 1 1 60 60 GLY N N 15 106.482 . . 1 . . . . 59 Gly N . 18609 1 223 . 1 1 61 61 VAL H H 1 7.236 . . 1 . . . . 60 Val H . 18609 1 224 . 1 1 61 61 VAL CA C 13 58.835 . . 1 . . . . 60 Val CA . 18609 1 225 . 1 1 61 61 VAL CB C 13 28.845 . . 1 . . . . 60 Val CB . 18609 1 226 . 1 1 61 61 VAL N N 15 111.197 . . 1 . . . . 60 Val N . 18609 1 227 . 1 1 62 62 LYS H H 1 8.606 . . 1 . . . . 61 Lys H . 18609 1 228 . 1 1 62 62 LYS CA C 13 52.502 . . 1 . . . . 61 Lys CA . 18609 1 229 . 1 1 62 62 LYS CB C 13 30.967 . . 1 . . . . 61 Lys CB . 18609 1 230 . 1 1 62 62 LYS N N 15 117.711 . . 1 . . . . 61 Lys N . 18609 1 231 . 1 1 63 63 ALA H H 1 7.478 . . 1 . . . . 62 Ala H . 18609 1 232 . 1 1 63 63 ALA CA C 13 49.065 . . 1 . . . . 62 Ala CA . 18609 1 233 . 1 1 63 63 ALA CB C 13 19.564 . . 1 . . . . 62 Ala CB . 18609 1 234 . 1 1 63 63 ALA N N 15 113.908 . . 1 . . . . 62 Ala N . 18609 1 235 . 1 1 64 64 LEU H H 1 8.048 . . 1 . . . . 63 Leu H . 18609 1 236 . 1 1 64 64 LEU CA C 13 49.562 . . 1 . . . . 63 Leu CA . 18609 1 237 . 1 1 64 64 LEU CB C 13 42.082 . . 1 . . . . 63 Leu CB . 18609 1 238 . 1 1 64 64 LEU N N 15 119.896 . . 1 . . . . 63 Leu N . 18609 1 239 . 1 1 65 65 ALA H H 1 9.298 . . 1 . . . . 64 Ala H . 18609 1 240 . 1 1 65 65 ALA CA C 13 47.256 . . 1 . . . . 64 Ala CA . 18609 1 241 . 1 1 65 65 ALA CB C 13 15.487 . . 1 . . . . 64 Ala CB . 18609 1 242 . 1 1 65 65 ALA N N 15 125.711 . . 1 . . . . 64 Ala N . 18609 1 243 . 1 1 66 66 ILE H H 1 8.608 . . 1 . . . . 65 Ile H . 18609 1 244 . 1 1 66 66 ILE CA C 13 54.403 . . 1 . . . . 65 Ile CA . 18609 1 245 . 1 1 66 66 ILE CB C 13 36.124 . . 1 . . . . 65 Ile CB . 18609 1 246 . 1 1 66 66 ILE N N 15 122.809 . . 1 . . . . 65 Ile N . 18609 1 247 . 1 1 67 67 ASN H H 1 7.744 . . 1 . . . . 66 Asn H . 18609 1 248 . 1 1 67 67 ASN CA C 13 48.098 . . 1 . . . . 66 Asn CA . 18609 1 249 . 1 1 67 67 ASN CB C 13 36.564 . . 1 . . . . 66 Asn CB . 18609 1 250 . 1 1 67 67 ASN N N 15 131.658 . . 1 . . . . 66 Asn N . 18609 1 251 . 1 1 68 68 LEU H H 1 9.080 . . 1 . . . . 67 Leu H . 18609 1 252 . 1 1 68 68 LEU CA C 13 52.181 . . 1 . . . . 67 Leu CA . 18609 1 253 . 1 1 68 68 LEU CB C 13 28.232 . . 1 . . . . 67 Leu CB . 18609 1 254 . 1 1 68 68 LEU N N 15 125.848 . . 1 . . . . 67 Leu N . 18609 1 255 . 1 1 69 69 VAL H H 1 8.248 . . 1 . . . . 68 Val H . 18609 1 256 . 1 1 69 69 VAL CA C 13 57.587 . . 1 . . . . 68 Val CA . 18609 1 257 . 1 1 69 69 VAL CB C 13 34.572 . . 1 . . . . 68 Val CB . 18609 1 258 . 1 1 69 69 VAL N N 15 125.364 . . 1 . . . . 68 Val N . 18609 1 259 . 1 1 70 70 ASP H H 1 8.952 . . 1 . . . . 69 Asp H . 18609 1 260 . 1 1 70 70 ASP CA C 13 49.767 . . 1 . . . . 69 Asp CA . 18609 1 261 . 1 1 70 70 ASP CB C 13 39.122 . . 1 . . . . 69 Asp CB . 18609 1 262 . 1 1 70 70 ASP N N 15 128.625 . . 1 . . . . 69 Asp N . 18609 1 263 . 1 1 72 72 ALA H H 1 8.091 . . 1 . . . . 71 Ala H . 18609 1 264 . 1 1 72 72 ALA CA C 13 50.339 . . 1 . . . . 71 Ala CA . 18609 1 265 . 1 1 72 72 ALA CB C 13 14.825 . . 1 . . . . 71 Ala CB . 18609 1 266 . 1 1 72 72 ALA N N 15 117.500 . . 1 . . . . 71 Ala N . 18609 1 267 . 1 1 73 73 ALA H H 1 8.249 . . 1 . . . . 72 Ala H . 18609 1 268 . 1 1 73 73 ALA CA C 13 49.140 . . 1 . . . . 72 Ala CA . 18609 1 269 . 1 1 73 73 ALA CB C 13 15.004 . . 1 . . . . 72 Ala CB . 18609 1 270 . 1 1 73 73 ALA N N 15 121.212 . . 1 . . . . 72 Ala N . 18609 1 271 . 1 1 74 74 ALA H H 1 7.557 . . 1 . . . . 73 Ala H . 18609 1 272 . 1 1 74 74 ALA CA C 13 45.976 . . 1 . . . . 73 Ala CA . 18609 1 273 . 1 1 74 74 ALA CB C 13 15.308 . . 1 . . . . 73 Ala CB . 18609 1 274 . 1 1 74 74 ALA N N 15 123.375 . . 1 . . . . 73 Ala N . 18609 1 275 . 1 1 76 76 THR H H 1 7.702 . . 1 . . . . 75 Thr H . 18609 1 276 . 1 1 76 76 THR CA C 13 63.073 . . 1 . . . . 75 Thr CA . 18609 1 277 . 1 1 76 76 THR CB C 13 53.178 . . 1 . . . . 75 Thr CB . 18609 1 278 . 1 1 76 76 THR N N 15 119.335 . . 1 . . . . 75 Thr N . 18609 1 279 . 1 1 77 77 VAL H H 1 7.539 . . 1 . . . . 76 Val H . 18609 1 280 . 1 1 77 77 VAL CA C 13 64.353 . . 1 . . . . 76 Val CA . 18609 1 281 . 1 1 77 77 VAL CB C 13 28.065 . . 1 . . . . 76 Val CB . 18609 1 282 . 1 1 77 77 VAL N N 15 121.019 . . 1 . . . . 76 Val N . 18609 1 283 . 1 1 78 78 ILE H H 1 8.769 . . 1 . . . . 77 Ile H . 18609 1 284 . 1 1 78 78 ILE CA C 13 63.078 . . 1 . . . . 77 Ile CA . 18609 1 285 . 1 1 78 78 ILE CB C 13 34.111 . . 1 . . . . 77 Ile CB . 18609 1 286 . 1 1 78 78 ILE N N 15 119.522 . . 1 . . . . 77 Ile N . 18609 1 287 . 1 1 79 79 GLU H H 1 8.028 . . 1 . . . . 78 Glu H . 18609 1 288 . 1 1 79 79 GLU CA C 13 55.718 . . 1 . . . . 78 Glu CA . 18609 1 289 . 1 1 79 79 GLU CB C 13 25.125 . . 1 . . . . 78 Glu CB . 18609 1 290 . 1 1 79 79 GLU N N 15 116.808 . . 1 . . . . 78 Glu N . 18609 1 291 . 1 1 80 80 LYS H H 1 7.357 . . 1 . . . . 79 Lys H . 18609 1 292 . 1 1 80 80 LYS CA C 13 56.135 . . 1 . . . . 79 Lys CA . 18609 1 293 . 1 1 80 80 LYS CB C 13 29.732 . . 1 . . . . 79 Lys CB . 18609 1 294 . 1 1 80 80 LYS N N 15 118.306 . . 1 . . . . 79 Lys N . 18609 1 295 . 1 1 81 81 ALA H H 1 7.922 . . 1 . . . . 80 Ala H . 18609 1 296 . 1 1 81 81 ALA CA C 13 52.356 . . 1 . . . . 80 Ala CA . 18609 1 297 . 1 1 81 81 ALA CB C 13 14.733 . . 1 . . . . 80 Ala CB . 18609 1 298 . 1 1 81 81 ALA N N 15 121.394 . . 1 . . . . 80 Ala N . 18609 1 299 . 1 1 82 82 ARG H H 1 9.065 . . 1 . . . . 81 Arg H . 18609 1 300 . 1 1 82 82 ARG CA C 13 56.984 . . 1 . . . . 81 Arg CA . 18609 1 301 . 1 1 82 82 ARG CB C 13 29.546 . . 1 . . . . 81 Arg CB . 18609 1 302 . 1 1 82 82 ARG N N 15 115.405 . . 1 . . . . 81 Arg N . 18609 1 303 . 1 1 83 83 GLY H H 1 7.592 . . 1 . . . . 82 Gly H . 18609 1 304 . 1 1 83 83 GLY CA C 13 44.495 . . 1 . . . . 82 Gly CA . 18609 1 305 . 1 1 83 83 GLY N N 15 107.664 . . 1 . . . . 82 Gly N . 18609 1 306 . 1 1 88 88 VAL H H 1 8.639 . . 1 . . . . 87 Val H . 18609 1 307 . 1 1 88 88 VAL CA C 13 56.322 . . 1 . . . . 87 Val CA . 18609 1 308 . 1 1 88 88 VAL CB C 13 32.096 . . 1 . . . . 87 Val CB . 18609 1 309 . 1 1 88 88 VAL N N 15 117.933 . . 1 . . . . 87 Val N . 18609 1 310 . 1 1 89 89 VAL H H 1 9.091 . . 1 . . . . 88 Val H . 18609 1 311 . 1 1 89 89 VAL CA C 13 57.378 . . 1 . . . . 88 Val CA . 18609 1 312 . 1 1 89 89 VAL CB C 13 28.876 . . 1 . . . . 88 Val CB . 18609 1 313 . 1 1 89 89 VAL N N 15 126.847 . . 1 . . . . 88 Val N . 18609 1 314 . 1 1 90 90 PHE H H 1 9.425 . . 1 . . . . 89 Phe H . 18609 1 315 . 1 1 90 90 PHE CA C 13 55.269 . . 1 . . . . 89 Phe CA . 18609 1 316 . 1 1 90 90 PHE CB C 13 38.244 . . 1 . . . . 89 Phe CB . 18609 1 317 . 1 1 90 90 PHE N N 15 126.553 . . 1 . . . . 89 Phe N . 18609 1 318 . 1 1 91 91 PHE H H 1 8.731 . . 1 . . . . 90 Phe H . 18609 1 319 . 1 1 91 91 PHE CA C 13 53.585 . . 1 . . . . 90 Phe CA . 18609 1 320 . 1 1 91 91 PHE CB C 13 37.796 . . 1 . . . . 90 Phe CB . 18609 1 321 . 1 1 91 91 PHE N N 15 114.014 . . 1 . . . . 90 Phe N . 18609 1 322 . 1 1 92 92 ASN H H 1 8.191 . . 1 . . . . 91 Asn H . 18609 1 323 . 1 1 92 92 ASN CA C 13 58.225 . . 1 . . . . 91 Asn CA . 18609 1 324 . 1 1 92 92 ASN CB C 13 35.669 . . 1 . . . . 91 Asn CB . 18609 1 325 . 1 1 92 92 ASN N N 15 122.145 . . 1 . . . . 91 Asn N . 18609 1 326 . 1 1 93 93 LYS H H 1 7.988 . . 1 . . . . 92 Lys H . 18609 1 327 . 1 1 93 93 LYS CA C 13 52.591 . . 1 . . . . 92 Lys CA . 18609 1 328 . 1 1 93 93 LYS CB C 13 29.716 . . 1 . . . . 92 Lys CB . 18609 1 329 . 1 1 93 93 LYS N N 15 119.990 . . 1 . . . . 92 Lys N . 18609 1 330 . 1 1 94 94 GLU H H 1 8.817 . . 1 . . . . 93 Glu H . 18609 1 331 . 1 1 94 94 GLU CA C 13 51.983 . . 1 . . . . 93 Glu CA . 18609 1 332 . 1 1 94 94 GLU CB C 13 27.181 . . 1 . . . . 93 Glu CB . 18609 1 333 . 1 1 94 94 GLU N N 15 129.946 . . 1 . . . . 93 Glu N . 18609 1 334 . 1 1 96 96 SER H H 1 8.246 . . 1 . . . . 95 Ser H . 18609 1 335 . 1 1 96 96 SER CA C 13 54.568 . . 1 . . . . 95 Ser CA . 18609 1 336 . 1 1 96 96 SER CB C 13 57.772 . . 1 . . . . 95 Ser CB . 18609 1 337 . 1 1 96 96 SER N N 15 113.581 . . 1 . . . . 95 Ser N . 18609 1 338 . 1 1 97 97 ARG H H 1 8.440 . . 1 . . . . 96 Arg H . 18609 1 339 . 1 1 97 97 ARG CA C 13 54.702 . . 1 . . . . 96 Arg CA . 18609 1 340 . 1 1 97 97 ARG CB C 13 26.833 . . 1 . . . . 96 Arg CB . 18609 1 341 . 1 1 97 97 ARG N N 15 124.077 . . 1 . . . . 96 Arg N . 18609 1 342 . 1 1 98 98 LYS H H 1 7.919 . . 1 . . . . 97 Lys H . 18609 1 343 . 1 1 98 98 LYS CA C 13 55.938 . . 1 . . . . 97 Lys CA . 18609 1 344 . 1 1 98 98 LYS CB C 13 28.678 . . 1 . . . . 97 Lys CB . 18609 1 345 . 1 1 98 98 LYS N N 15 116.548 . . 1 . . . . 97 Lys N . 18609 1 346 . 1 1 99 99 ALA H H 1 7.616 . . 1 . . . . 98 Ala H . 18609 1 347 . 1 1 99 99 ALA CA C 13 51.685 . . 1 . . . . 98 Ala CA . 18609 1 348 . 1 1 99 99 ALA CB C 13 14.082 . . 1 . . . . 98 Ala CB . 18609 1 349 . 1 1 99 99 ALA N N 15 120.628 . . 1 . . . . 98 Ala N . 18609 1 350 . 1 1 100 100 LEU H H 1 7.900 . . 1 . . . . 99 Leu H . 18609 1 351 . 1 1 100 100 LEU CA C 13 55.262 . . 1 . . . . 99 Leu CA . 18609 1 352 . 1 1 100 100 LEU CB C 13 38.439 . . 1 . . . . 99 Leu CB . 18609 1 353 . 1 1 100 100 LEU N N 15 118.935 . . 1 . . . . 99 Leu N . 18609 1 354 . 1 1 101 101 ASP H H 1 8.424 . . 1 . . . . 100 Asp H . 18609 1 355 . 1 1 101 101 ASP CA C 13 52.787 . . 1 . . . . 100 Asp CA . 18609 1 356 . 1 1 101 101 ASP CB C 13 36.928 . . 1 . . . . 100 Asp CB . 18609 1 357 . 1 1 101 101 ASP N N 15 115.717 . . 1 . . . . 100 Asp N . 18609 1 358 . 1 1 102 102 SER H H 1 7.675 . . 1 . . . . 101 Ser H . 18609 1 359 . 1 1 102 102 SER CA C 13 57.149 . . 1 . . . . 101 Ser CA . 18609 1 360 . 1 1 102 102 SER CB C 13 57.502 . . 1 . . . . 101 Ser CB . 18609 1 361 . 1 1 102 102 SER N N 15 114.881 . . 1 . . . . 101 Ser N . 18609 1 362 . 1 1 103 103 TYR H H 1 7.161 . . 1 . . . . 102 Tyr H . 18609 1 363 . 1 1 103 103 TYR CA C 13 50.631 . . 1 . . . . 102 Tyr CA . 18609 1 364 . 1 1 103 103 TYR CB C 13 38.455 . . 1 . . . . 102 Tyr CB . 18609 1 365 . 1 1 103 103 TYR N N 15 122.477 . . 1 . . . . 102 Tyr N . 18609 1 366 . 1 1 106 106 ALA H H 1 6.699 . . 1 . . . . 105 Ala H . 18609 1 367 . 1 1 106 106 ALA CA C 13 47.453 . . 1 . . . . 105 Ala CA . 18609 1 368 . 1 1 106 106 ALA CB C 13 17.590 . . 1 . . . . 105 Ala CB . 18609 1 369 . 1 1 106 106 ALA N N 15 119.302 . . 1 . . . . 105 Ala N . 18609 1 370 . 1 1 107 107 TYR H H 1 8.786 . . 1 . . . . 106 Tyr H . 18609 1 371 . 1 1 107 107 TYR CA C 13 53.648 . . 1 . . . . 106 Tyr CA . 18609 1 372 . 1 1 107 107 TYR CB C 13 40.938 . . 1 . . . . 106 Tyr CB . 18609 1 373 . 1 1 107 107 TYR N N 15 118.858 . . 1 . . . . 106 Tyr N . 18609 1 374 . 1 1 108 108 TYR H H 1 9.042 . . 1 . . . . 107 Tyr H . 18609 1 375 . 1 1 108 108 TYR CA C 13 54.345 . . 1 . . . . 107 Tyr CA . 18609 1 376 . 1 1 108 108 TYR CB C 13 39.162 . . 1 . . . . 107 Tyr CB . 18609 1 377 . 1 1 108 108 TYR N N 15 119.311 . . 1 . . . . 107 Tyr N . 18609 1 378 . 1 1 109 109 VAL H H 1 7.950 . . 1 . . . . 108 Val H . 18609 1 379 . 1 1 109 109 VAL CA C 13 57.579 . . 1 . . . . 108 Val CA . 18609 1 380 . 1 1 109 109 VAL CB C 13 30.002 . . 1 . . . . 108 Val CB . 18609 1 381 . 1 1 109 109 VAL N N 15 125.829 . . 1 . . . . 108 Val N . 18609 1 382 . 1 1 110 110 GLY H H 1 8.305 . . 1 . . . . 109 Gly H . 18609 1 383 . 1 1 110 110 GLY CA C 13 43.041 . . 1 . . . . 109 Gly CA . 18609 1 384 . 1 1 110 110 GLY N N 15 113.245 . . 1 . . . . 109 Gly N . 18609 1 385 . 1 1 111 111 THR H H 1 9.672 . . 1 . . . . 110 Thr H . 18609 1 386 . 1 1 111 111 THR CA C 13 56.972 . . 1 . . . . 110 Thr CA . 18609 1 387 . 1 1 111 111 THR CB C 13 47.863 . . 1 . . . . 110 Thr CB . 18609 1 388 . 1 1 111 111 THR N N 15 117.681 . . 1 . . . . 110 Thr N . 18609 1 389 . 1 1 112 112 ASP H H 1 9.933 . . 1 . . . . 111 Asp H . 18609 1 390 . 1 1 112 112 ASP CA C 13 49.388 . . 1 . . . . 111 Asp CA . 18609 1 391 . 1 1 112 112 ASP CB C 13 36.393 . . 1 . . . . 111 Asp CB . 18609 1 392 . 1 1 112 112 ASP N N 15 120.950 . . 1 . . . . 111 Asp N . 18609 1 393 . 1 1 113 113 SER H H 1 8.043 . . 1 . . . . 112 Ser H . 18609 1 394 . 1 1 113 113 SER CA C 13 61.384 . . 1 . . . . 112 Ser CA . 18609 1 395 . 1 1 113 113 SER CB C 13 56.085 . . 1 . . . . 112 Ser CB . 18609 1 396 . 1 1 113 113 SER N N 15 121.115 . . 1 . . . . 112 Ser N . 18609 1 397 . 1 1 117 117 GLY H H 1 6.902 . . 1 . . . . 116 Gly H . 18609 1 398 . 1 1 117 117 GLY CA C 13 44.321 . . 1 . . . . 116 Gly CA . 18609 1 399 . 1 1 117 117 GLY N N 15 107.489 . . 1 . . . . 116 Gly N . 18609 1 400 . 1 1 118 118 ILE H H 1 7.799 . . 1 . . . . 117 Ile H . 18609 1 401 . 1 1 118 118 ILE CA C 13 62.165 . . 1 . . . . 117 Ile CA . 18609 1 402 . 1 1 118 118 ILE CB C 13 34.210 . . 1 . . . . 117 Ile CB . 18609 1 403 . 1 1 118 118 ILE N N 15 122.517 . . 1 . . . . 117 Ile N . 18609 1 404 . 1 1 119 119 ILE H H 1 8.352 . . 1 . . . . 118 Ile H . 18609 1 405 . 1 1 119 119 ILE CA C 13 62.205 . . 1 . . . . 118 Ile CA . 18609 1 406 . 1 1 119 119 ILE CB C 13 34.820 . . 1 . . . . 118 Ile CB . 18609 1 407 . 1 1 119 119 ILE N N 15 117.651 . . 1 . . . . 118 Ile N . 18609 1 408 . 1 1 120 120 GLN H H 1 7.847 . . 1 . . . . 119 Gln H . 18609 1 409 . 1 1 120 120 GLN CA C 13 56.952 . . 1 . . . . 119 Gln CA . 18609 1 410 . 1 1 120 120 GLN CB C 13 25.214 . . 1 . . . . 119 Gln CB . 18609 1 411 . 1 1 120 120 GLN N N 15 118.867 . . 1 . . . . 119 Gln N . 18609 1 412 . 1 1 121 121 GLY H H 1 8.513 . . 1 . . . . 120 Gly H . 18609 1 413 . 1 1 121 121 GLY CA C 13 44.517 . . 1 . . . . 120 Gly CA . 18609 1 414 . 1 1 121 121 GLY N N 15 106.470 . . 1 . . . . 120 Gly N . 18609 1 415 . 1 1 123 123 LEU H H 1 8.483 . . 1 . . . . 122 Leu H . 18609 1 416 . 1 1 123 123 LEU CA C 13 55.057 . . 1 . . . . 122 Leu CA . 18609 1 417 . 1 1 123 123 LEU CB C 13 39.552 . . 1 . . . . 122 Leu CB . 18609 1 418 . 1 1 123 123 LEU N N 15 123.334 . . 1 . . . . 122 Leu N . 18609 1 419 . 1 1 124 124 ILE H H 1 8.102 . . 1 . . . . 123 Ile H . 18609 1 420 . 1 1 124 124 ILE CA C 13 62.680 . . 1 . . . . 123 Ile CA . 18609 1 421 . 1 1 124 124 ILE CB C 13 32.957 . . 1 . . . . 123 Ile CB . 18609 1 422 . 1 1 124 124 ILE N N 15 119.804 . . 1 . . . . 123 Ile N . 18609 1 423 . 1 1 125 125 ALA H H 1 8.483 . . 1 . . . . 124 Ala H . 18609 1 424 . 1 1 125 125 ALA CA C 13 52.531 . . 1 . . . . 124 Ala CA . 18609 1 425 . 1 1 125 125 ALA CB C 13 14.629 . . 1 . . . . 124 Ala CB . 18609 1 426 . 1 1 125 125 ALA N N 15 121.012 . . 1 . . . . 124 Ala N . 18609 1 427 . 1 1 126 126 LYS H H 1 7.958 . . 1 . . . . 125 Lys H . 18609 1 428 . 1 1 126 126 LYS CA C 13 56.112 . . 1 . . . . 125 Lys CA . 18609 1 429 . 1 1 126 126 LYS CB C 13 29.460 . . 1 . . . . 125 Lys CB . 18609 1 430 . 1 1 126 126 LYS N N 15 118.998 . . 1 . . . . 125 Lys N . 18609 1 431 . 1 1 127 127 HIS H H 1 8.251 . . 1 . . . . 126 His H . 18609 1 432 . 1 1 127 127 HIS CA C 13 57.458 . . 1 . . . . 126 His CA . 18609 1 433 . 1 1 127 127 HIS CB C 13 28.977 . . 1 . . . . 126 His CB . 18609 1 434 . 1 1 127 127 HIS N N 15 118.247 . . 1 . . . . 126 His N . 18609 1 435 . 1 1 128 128 TRP H H 1 8.464 . . 1 . . . . 127 Trp H . 18609 1 436 . 1 1 128 128 TRP CA C 13 57.591 . . 1 . . . . 127 Trp CA . 18609 1 437 . 1 1 128 128 TRP CB C 13 26.955 . . 1 . . . . 127 Trp CB . 18609 1 438 . 1 1 128 128 TRP N N 15 125.613 . . 1 . . . . 127 Trp N . 18609 1 439 . 1 1 129 129 ALA H H 1 7.603 . . 1 . . . . 128 Ala H . 18609 1 440 . 1 1 129 129 ALA CA C 13 51.049 . . 1 . . . . 128 Ala CA . 18609 1 441 . 1 1 129 129 ALA CB C 13 14.775 . . 1 . . . . 128 Ala CB . 18609 1 442 . 1 1 129 129 ALA N N 15 117.048 . . 1 . . . . 128 Ala N . 18609 1 443 . 1 1 130 130 ALA H H 1 6.871 . . 1 . . . . 129 Ala H . 18609 1 444 . 1 1 130 130 ALA CA C 13 49.356 . . 1 . . . . 129 Ala CA . 18609 1 445 . 1 1 130 130 ALA CB C 13 16.327 . . 1 . . . . 129 Ala CB . 18609 1 446 . 1 1 130 130 ALA N N 15 115.961 . . 1 . . . . 129 Ala N . 18609 1 447 . 1 1 131 131 ASN H H 1 7.032 . . 1 . . . . 130 Asn H . 18609 1 448 . 1 1 131 131 ASN CA C 13 48.483 . . 1 . . . . 130 Asn CA . 18609 1 449 . 1 1 131 131 ASN CB C 13 34.504 . . 1 . . . . 130 Asn CB . 18609 1 450 . 1 1 131 131 ASN N N 15 118.942 . . 1 . . . . 130 Asn N . 18609 1 451 . 1 1 133 133 GLY H H 1 9.079 . . 1 . . . . 132 Gly H . 18609 1 452 . 1 1 133 133 GLY CA C 13 43.034 . . 1 . . . . 132 Gly CA . 18609 1 453 . 1 1 133 133 GLY N N 15 125.324 . . 1 . . . . 132 Gly N . 18609 1 454 . 1 1 134 134 TRP H H 1 7.920 . . 1 . . . . 133 Trp H . 18609 1 455 . 1 1 134 134 TRP CA C 13 55.484 . . 1 . . . . 133 Trp CA . 18609 1 456 . 1 1 134 134 TRP CB C 13 29.884 . . 1 . . . . 133 Trp CB . 18609 1 457 . 1 1 134 134 TRP N N 15 109.810 . . 1 . . . . 133 Trp N . 18609 1 458 . 1 1 136 136 LEU H H 1 7.968 . . 1 . . . . 135 Leu H . 18609 1 459 . 1 1 136 136 LEU CA C 13 54.846 . . 1 . . . . 135 Leu CA . 18609 1 460 . 1 1 136 136 LEU CB C 13 38.603 . . 1 . . . . 135 Leu CB . 18609 1 461 . 1 1 136 136 LEU N N 15 127.570 . . 1 . . . . 135 Leu N . 18609 1 462 . 1 1 137 137 ASN H H 1 8.264 . . 1 . . . . 136 Asn H . 18609 1 463 . 1 1 137 137 ASN CA C 13 48.526 . . 1 . . . . 136 Asn CA . 18609 1 464 . 1 1 137 137 ASN CB C 13 33.797 . . 1 . . . . 136 Asn CB . 18609 1 465 . 1 1 137 137 ASN N N 15 112.785 . . 1 . . . . 136 Asn N . 18609 1 466 . 1 1 138 138 LYS H H 1 7.868 . . 1 . . . . 137 Lys H . 18609 1 467 . 1 1 138 138 LYS CA C 13 54.579 . . 1 . . . . 137 Lys CA . 18609 1 468 . 1 1 138 138 LYS CB C 13 26.212 . . 1 . . . . 137 Lys CB . 18609 1 469 . 1 1 138 138 LYS N N 15 114.843 . . 1 . . . . 137 Lys N . 18609 1 470 . 1 1 139 139 ASP H H 1 7.933 . . 1 . . . . 138 Asp H . 18609 1 471 . 1 1 139 139 ASP CA C 13 49.992 . . 1 . . . . 138 Asp CA . 18609 1 472 . 1 1 139 139 ASP CB C 13 38.495 . . 1 . . . . 138 Asp CB . 18609 1 473 . 1 1 139 139 ASP N N 15 116.715 . . 1 . . . . 138 Asp N . 18609 1 474 . 1 1 140 140 GLY H H 1 10.955 . . 1 . . . . 139 Gly H . 18609 1 475 . 1 1 140 140 GLY CA C 13 43.019 . . 1 . . . . 139 Gly CA . 18609 1 476 . 1 1 140 140 GLY N N 15 114.731 . . 1 . . . . 139 Gly N . 18609 1 477 . 1 1 141 141 GLN H H 1 8.731 . . 1 . . . . 140 Gln H . 18609 1 478 . 1 1 141 141 GLN CA C 13 55.670 . . 1 . . . . 140 Gln CA . 18609 1 479 . 1 1 141 141 GLN CB C 13 28.425 . . 1 . . . . 140 Gln CB . 18609 1 480 . 1 1 141 141 GLN N N 15 119.077 . . 1 . . . . 140 Gln N . 18609 1 481 . 1 1 145 145 VAL H H 1 8.113 . . 1 . . . . 144 Val H . 18609 1 482 . 1 1 145 145 VAL CA C 13 55.670 . . 1 . . . . 144 Val CA . 18609 1 483 . 1 1 145 145 VAL CB C 13 29.830 . . 1 . . . . 144 Val CB . 18609 1 484 . 1 1 145 145 VAL N N 15 109.533 . . 1 . . . . 144 Val N . 18609 1 485 . 1 1 146 146 LEU H H 1 7.866 . . 1 . . . . 145 Leu H . 18609 1 486 . 1 1 146 146 LEU CA C 13 51.268 . . 1 . . . . 145 Leu CA . 18609 1 487 . 1 1 146 146 LEU CB C 13 42.269 . . 1 . . . . 145 Leu CB . 18609 1 488 . 1 1 146 146 LEU N N 15 125.920 . . 1 . . . . 145 Leu N . 18609 1 489 . 1 1 147 147 LEU H H 1 8.759 . . 1 . . . . 146 Leu H . 18609 1 490 . 1 1 147 147 LEU CA C 13 50.353 . . 1 . . . . 146 Leu CA . 18609 1 491 . 1 1 147 147 LEU CB C 13 40.259 . . 1 . . . . 146 Leu CB . 18609 1 492 . 1 1 147 147 LEU N N 15 125.558 . . 1 . . . . 146 Leu N . 18609 1 493 . 1 1 148 148 LYS H H 1 9.094 . . 1 . . . . 147 Lys H . 18609 1 494 . 1 1 148 148 LYS CA C 13 51.068 . . 1 . . . . 147 Lys CA . 18609 1 495 . 1 1 148 148 LYS CB C 13 32.161 . . 1 . . . . 147 Lys CB . 18609 1 496 . 1 1 148 148 LYS N N 15 127.859 . . 1 . . . . 147 Lys N . 18609 1 497 . 1 1 149 149 GLY H H 1 8.512 . . 1 . . . . 148 Gly H . 18609 1 498 . 1 1 149 149 GLY CA C 13 39.052 . . 1 . . . . 148 Gly CA . 18609 1 499 . 1 1 149 149 GLY N N 15 108.037 . . 1 . . . . 148 Gly N . 18609 1 500 . 1 1 150 150 GLU H H 1 7.167 . . 1 . . . . 149 Glu H . 18609 1 501 . 1 1 150 150 GLU CA C 13 51.048 . . 1 . . . . 149 Glu CA . 18609 1 502 . 1 1 150 150 GLU CB C 13 26.943 . . 1 . . . . 149 Glu CB . 18609 1 503 . 1 1 150 150 GLU N N 15 115.828 . . 1 . . . . 149 Glu N . 18609 1 504 . 1 1 152 152 GLY H H 1 10.294 . . 1 . . . . 151 Gly H . 18609 1 505 . 1 1 152 152 GLY CA C 13 41.857 . . 1 . . . . 151 Gly CA . 18609 1 506 . 1 1 152 152 GLY N N 15 114.743 . . 1 . . . . 151 Gly N . 18609 1 507 . 1 1 153 153 HIS H H 1 8.263 . . 1 . . . . 152 His H . 18609 1 508 . 1 1 153 153 HIS CA C 13 51.465 . . 1 . . . . 152 His CA . 18609 1 509 . 1 1 153 153 HIS CB C 13 29.692 . . 1 . . . . 152 His CB . 18609 1 510 . 1 1 153 153 HIS N N 15 125.911 . . 1 . . . . 152 His N . 18609 1 511 . 1 1 155 155 ASP H H 1 10.793 . . 1 . . . . 154 Asp H . 18609 1 512 . 1 1 155 155 ASP CA C 13 55.281 . . 1 . . . . 154 Asp CA . 18609 1 513 . 1 1 155 155 ASP CB C 13 37.766 . . 1 . . . . 154 Asp CB . 18609 1 514 . 1 1 155 155 ASP N N 15 116.861 . . 1 . . . . 154 Asp N . 18609 1 515 . 1 1 156 156 ALA H H 1 7.462 . . 1 . . . . 155 Ala H . 18609 1 516 . 1 1 156 156 ALA CA C 13 51.473 . . 1 . . . . 155 Ala CA . 18609 1 517 . 1 1 156 156 ALA CB C 13 15.749 . . 1 . . . . 155 Ala CB . 18609 1 518 . 1 1 156 156 ALA N N 15 122.329 . . 1 . . . . 155 Ala N . 18609 1 519 . 1 1 157 157 GLU H H 1 8.539 . . 1 . . . . 156 Glu H . 18609 1 520 . 1 1 157 157 GLU CA C 13 55.078 . . 1 . . . . 156 Glu CA . 18609 1 521 . 1 1 157 157 GLU CB C 13 25.028 . . 1 . . . . 156 Glu CB . 18609 1 522 . 1 1 157 157 GLU N N 15 116.528 . . 1 . . . . 156 Glu N . 18609 1 523 . 1 1 158 158 ALA H H 1 7.997 . . 1 . . . . 157 Ala H . 18609 1 524 . 1 1 158 158 ALA CA C 13 51.804 . . 1 . . . . 157 Ala CA . 18609 1 525 . 1 1 158 158 ALA CB C 13 15.957 . . 1 . . . . 157 Ala CB . 18609 1 526 . 1 1 158 158 ALA N N 15 119.047 . . 1 . . . . 157 Ala N . 18609 1 527 . 1 1 159 159 ARG H H 1 8.407 . . 1 . . . . 158 Arg H . 18609 1 528 . 1 1 159 159 ARG CA C 13 57.804 . . 1 . . . . 158 Arg CA . 18609 1 529 . 1 1 159 159 ARG CB C 13 26.667 . . 1 . . . . 158 Arg CB . 18609 1 530 . 1 1 159 159 ARG N N 15 116.110 . . 1 . . . . 158 Arg N . 18609 1 531 . 1 1 160 160 THR H H 1 7.389 . . 1 . . . . 159 Thr H . 18609 1 532 . 1 1 160 160 THR CA C 13 64.534 . . 1 . . . . 159 Thr CA . 18609 1 533 . 1 1 160 160 THR CB C 13 53.438 . . 1 . . . . 159 Thr CB . 18609 1 534 . 1 1 160 160 THR N N 15 114.702 . . 1 . . . . 159 Thr N . 18609 1 535 . 1 1 161 161 THR H H 1 7.672 . . 1 . . . . 160 Thr H . 18609 1 536 . 1 1 161 161 THR CA C 13 63.106 . . 1 . . . . 160 Thr CA . 18609 1 537 . 1 1 161 161 THR CB C 13 52.596 . . 1 . . . . 160 Thr CB . 18609 1 538 . 1 1 161 161 THR N N 15 114.843 . . 1 . . . . 160 Thr N . 18609 1 539 . 1 1 162 162 TYR H H 1 8.761 . . 1 . . . . 161 Tyr H . 18609 1 540 . 1 1 162 162 TYR CA C 13 60.757 . . 1 . . . . 161 Tyr CA . 18609 1 541 . 1 1 162 162 TYR CB C 13 33.681 . . 1 . . . . 161 Tyr CB . 18609 1 542 . 1 1 162 162 TYR N N 15 116.153 . . 1 . . . . 161 Tyr N . 18609 1 543 . 1 1 163 163 VAL H H 1 7.421 . . 1 . . . . 162 Val H . 18609 1 544 . 1 1 163 163 VAL CA C 13 62.022 . . 1 . . . . 162 Val CA . 18609 1 545 . 1 1 163 163 VAL CB C 13 26.956 . . 1 . . . . 162 Val CB . 18609 1 546 . 1 1 163 163 VAL N N 15 119.709 . . 1 . . . . 162 Val N . 18609 1 547 . 1 1 164 164 ILE H H 1 5.688 . . 1 . . . . 163 Ile H . 18609 1 548 . 1 1 164 164 ILE CA C 13 58.218 . . 1 . . . . 163 Ile CA . 18609 1 549 . 1 1 164 164 ILE CB C 13 32.489 . . 1 . . . . 163 Ile CB . 18609 1 550 . 1 1 164 164 ILE N N 15 118.467 . . 1 . . . . 163 Ile N . 18609 1 551 . 1 1 165 165 LYS H H 1 7.459 . . 1 . . . . 164 Lys H . 18609 1 552 . 1 1 165 165 LYS CA C 13 56.535 . . 1 . . . . 164 Lys CA . 18609 1 553 . 1 1 165 165 LYS CB C 13 29.695 . . 1 . . . . 164 Lys CB . 18609 1 554 . 1 1 165 165 LYS N N 15 119.148 . . 1 . . . . 164 Lys N . 18609 1 555 . 1 1 166 166 GLU H H 1 8.362 . . 1 . . . . 165 Glu H . 18609 1 556 . 1 1 166 166 GLU CA C 13 55.156 . . 1 . . . . 165 Glu CA . 18609 1 557 . 1 1 166 166 GLU CB C 13 24.741 . . 1 . . . . 165 Glu CB . 18609 1 558 . 1 1 166 166 GLU N N 15 117.421 . . 1 . . . . 165 Glu N . 18609 1 559 . 1 1 167 167 LEU H H 1 7.149 . . 1 . . . . 166 Leu H . 18609 1 560 . 1 1 167 167 LEU CA C 13 55.506 . . 1 . . . . 166 Leu CA . 18609 1 561 . 1 1 167 167 LEU CB C 13 38.136 . . 1 . . . . 166 Leu CB . 18609 1 562 . 1 1 167 167 LEU N N 15 117.977 . . 1 . . . . 166 Leu N . 18609 1 563 . 1 1 168 168 ASN H H 1 8.291 . . 1 . . . . 167 Asn H . 18609 1 564 . 1 1 168 168 ASN CA C 13 52.943 . . 1 . . . . 167 Asn CA . 18609 1 565 . 1 1 168 168 ASN CB C 13 35.071 . . 1 . . . . 167 Asn CB . 18609 1 566 . 1 1 168 168 ASN N N 15 116.528 . . 1 . . . . 167 Asn N . 18609 1 567 . 1 1 169 169 ASP H H 1 9.280 . . 1 . . . . 168 Asp H . 18609 1 568 . 1 1 169 169 ASP CA C 13 54.215 . . 1 . . . . 168 Asp CA . 18609 1 569 . 1 1 169 169 ASP CB C 13 36.662 . . 1 . . . . 168 Asp CB . 18609 1 570 . 1 1 169 169 ASP N N 15 124.669 . . 1 . . . . 168 Asp N . 18609 1 571 . 1 1 170 170 LYS H H 1 7.721 . . 1 . . . . 169 Lys H . 18609 1 572 . 1 1 170 170 LYS CA C 13 52.742 . . 1 . . . . 169 Lys CA . 18609 1 573 . 1 1 170 170 LYS CB C 13 28.242 . . 1 . . . . 169 Lys CB . 18609 1 574 . 1 1 170 170 LYS N N 15 119.145 . . 1 . . . . 169 Lys N . 18609 1 575 . 1 1 171 171 GLY H H 1 7.885 . . 1 . . . . 170 Gly H . 18609 1 576 . 1 1 171 171 GLY CA C 13 42.188 . . 1 . . . . 170 Gly CA . 18609 1 577 . 1 1 171 171 GLY N N 15 107.008 . . 1 . . . . 170 Gly N . 18609 1 578 . 1 1 172 172 ILE H H 1 8.122 . . 1 . . . . 171 Ile H . 18609 1 579 . 1 1 172 172 ILE CA C 13 57.379 . . 1 . . . . 171 Ile CA . 18609 1 580 . 1 1 172 172 ILE CB C 13 34.437 . . 1 . . . . 171 Ile CB . 18609 1 581 . 1 1 172 172 ILE N N 15 123.427 . . 1 . . . . 171 Ile N . 18609 1 582 . 1 1 173 173 LYS H H 1 8.603 . . 1 . . . . 172 Lys H . 18609 1 583 . 1 1 173 173 LYS CA C 13 53.557 . . 1 . . . . 172 Lys CA . 18609 1 584 . 1 1 173 173 LYS CB C 13 29.878 . . 1 . . . . 172 Lys CB . 18609 1 585 . 1 1 173 173 LYS N N 15 127.142 . . 1 . . . . 172 Lys N . 18609 1 586 . 1 1 174 174 THR H H 1 8.118 . . 1 . . . . 173 Thr H . 18609 1 587 . 1 1 174 174 THR CA C 13 55.884 . . 1 . . . . 173 Thr CA . 18609 1 588 . 1 1 174 174 THR CB C 13 50.413 . . 1 . . . . 173 Thr CB . 18609 1 589 . 1 1 174 174 THR N N 15 109.400 . . 1 . . . . 173 Thr N . 18609 1 590 . 1 1 175 175 GLU H H 1 9.128 . . 1 . . . . 174 Glu H . 18609 1 591 . 1 1 175 175 GLU CA C 13 51.887 . . 1 . . . . 174 Glu CA . 18609 1 592 . 1 1 175 175 GLU CB C 13 28.975 . . 1 . . . . 174 Glu CB . 18609 1 593 . 1 1 175 175 GLU N N 15 122.439 . . 1 . . . . 174 Glu N . 18609 1 594 . 1 1 176 176 GLN H H 1 8.433 . . 1 . . . . 175 Gln H . 18609 1 595 . 1 1 176 176 GLN CA C 13 51.777 . . 1 . . . . 175 Gln CA . 18609 1 596 . 1 1 176 176 GLN CB C 13 27.064 . . 1 . . . . 175 Gln CB . 18609 1 597 . 1 1 176 176 GLN N N 15 128.514 . . 1 . . . . 175 Gln N . 18609 1 598 . 1 1 177 177 LEU H H 1 8.575 . . 1 . . . . 176 Leu H . 18609 1 599 . 1 1 177 177 LEU CA C 13 52.740 . . 1 . . . . 176 Leu CA . 18609 1 600 . 1 1 177 177 LEU CB C 13 38.460 . . 1 . . . . 176 Leu CB . 18609 1 601 . 1 1 177 177 LEU N N 15 127.727 . . 1 . . . . 176 Leu N . 18609 1 602 . 1 1 178 178 GLN H H 1 6.318 . . 1 . . . . 177 Gln H . 18609 1 603 . 1 1 178 178 GLN CA C 13 50.626 . . 1 . . . . 177 Gln CA . 18609 1 604 . 1 1 178 178 GLN CB C 13 28.136 . . 1 . . . . 177 Gln CB . 18609 1 605 . 1 1 178 178 GLN N N 15 110.115 . . 1 . . . . 177 Gln N . 18609 1 606 . 1 1 179 179 LEU H H 1 8.201 . . 1 . . . . 178 Leu H . 18609 1 607 . 1 1 179 179 LEU CA C 13 53.101 . . 1 . . . . 178 Leu CA . 18609 1 608 . 1 1 179 179 LEU CB C 13 41.094 . . 1 . . . . 178 Leu CB . 18609 1 609 . 1 1 179 179 LEU N N 15 123.503 . . 1 . . . . 178 Leu N . 18609 1 610 . 1 1 180 180 ASP H H 1 8.762 . . 1 . . . . 179 Asp H . 18609 1 611 . 1 1 180 180 ASP CA C 13 49.602 . . 1 . . . . 179 Asp CA . 18609 1 612 . 1 1 180 180 ASP CB C 13 41.727 . . 1 . . . . 179 Asp CB . 18609 1 613 . 1 1 180 180 ASP N N 15 122.441 . . 1 . . . . 179 Asp N . 18609 1 614 . 1 1 181 181 THR H H 1 9.468 . . 1 . . . . 180 Thr H . 18609 1 615 . 1 1 181 181 THR CA C 13 56.029 . . 1 . . . . 180 Thr CA . 18609 1 616 . 1 1 181 181 THR CB C 13 52.042 . . 1 . . . . 180 Thr CB . 18609 1 617 . 1 1 181 181 THR N N 15 114.961 . . 1 . . . . 180 Thr N . 18609 1 618 . 1 1 182 182 ALA H H 1 8.512 . . 1 . . . . 181 Ala H . 18609 1 619 . 1 1 182 182 ALA CA C 13 47.555 . . 1 . . . . 181 Ala CA . 18609 1 620 . 1 1 182 182 ALA CB C 13 15.034 . . 1 . . . . 181 Ala CB . 18609 1 621 . 1 1 182 182 ALA N N 15 125.507 . . 1 . . . . 181 Ala N . 18609 1 622 . 1 1 183 183 MET H H 1 8.182 . . 1 . . . . 182 Met H . 18609 1 623 . 1 1 183 183 MET CA C 13 53.071 . . 1 . . . . 182 Met CA . 18609 1 624 . 1 1 183 183 MET CB C 13 24.583 . . 1 . . . . 182 Met CB . 18609 1 625 . 1 1 183 183 MET N N 15 109.308 . . 1 . . . . 182 Met N . 18609 1 626 . 1 1 184 184 TRP H H 1 7.366 . . 1 . . . . 183 Trp H . 18609 1 627 . 1 1 184 184 TRP CA C 13 55.689 . . 1 . . . . 183 Trp CA . 18609 1 628 . 1 1 184 184 TRP CB C 13 26.621 . . 1 . . . . 183 Trp CB . 18609 1 629 . 1 1 184 184 TRP N N 15 106.274 . . 1 . . . . 183 Trp N . 18609 1 630 . 1 1 185 185 ASP H H 1 8.237 . . 1 . . . . 184 Asp H . 18609 1 631 . 1 1 185 185 ASP CA C 13 51.542 . . 1 . . . . 184 Asp CA . 18609 1 632 . 1 1 185 185 ASP CB C 13 42.837 . . 1 . . . . 184 Asp CB . 18609 1 633 . 1 1 185 185 ASP N N 15 122.704 . . 1 . . . . 184 Asp N . 18609 1 634 . 1 1 186 186 THR H H 1 8.977 . . 1 . . . . 185 Thr H . 18609 1 635 . 1 1 186 186 THR CA C 13 63.935 . . 1 . . . . 185 Thr CA . 18609 1 636 . 1 1 186 186 THR CB C 13 52.284 . . 1 . . . . 185 Thr CB . 18609 1 637 . 1 1 186 186 THR N N 15 123.256 . . 1 . . . . 185 Thr N . 18609 1 638 . 1 1 187 187 ALA H H 1 8.112 . . 1 . . . . 186 Ala H . 18609 1 639 . 1 1 187 187 ALA CA C 13 52.527 . . 1 . . . . 186 Ala CA . 18609 1 640 . 1 1 187 187 ALA CB C 13 14.374 . . 1 . . . . 186 Ala CB . 18609 1 641 . 1 1 187 187 ALA N N 15 124.107 . . 1 . . . . 186 Ala N . 18609 1 642 . 1 1 188 188 GLN H H 1 8.703 . . 1 . . . . 187 Gln H . 18609 1 643 . 1 1 188 188 GLN CA C 13 56.294 . . 1 . . . . 187 Gln CA . 18609 1 644 . 1 1 188 188 GLN CB C 13 25.259 . . 1 . . . . 187 Gln CB . 18609 1 645 . 1 1 188 188 GLN N N 15 117.291 . . 1 . . . . 187 Gln N . 18609 1 646 . 1 1 189 189 ALA H H 1 7.858 . . 1 . . . . 188 Ala H . 18609 1 647 . 1 1 189 189 ALA CA C 13 51.900 . . 1 . . . . 188 Ala CA . 18609 1 648 . 1 1 189 189 ALA CB C 13 37.172 . . 1 . . . . 188 Ala CB . 18609 1 649 . 1 1 189 189 ALA N N 15 121.674 . . 1 . . . . 188 Ala N . 18609 1 650 . 1 1 190 190 LYS H H 1 8.187 . . 1 . . . . 189 Lys H . 18609 1 651 . 1 1 190 190 LYS CA C 13 56.752 . . 1 . . . . 189 Lys CA . 18609 1 652 . 1 1 190 190 LYS CB C 13 27.057 . . 1 . . . . 189 Lys CB . 18609 1 653 . 1 1 190 190 LYS N N 15 119.616 . . 1 . . . . 189 Lys N . 18609 1 654 . 1 1 191 191 ASP H H 1 7.628 . . 1 . . . . 190 Asp H . 18609 1 655 . 1 1 191 191 ASP CA C 13 54.424 . . 1 . . . . 190 Asp CA . 18609 1 656 . 1 1 191 191 ASP CB C 13 27.736 . . 1 . . . . 190 Asp CB . 18609 1 657 . 1 1 191 191 ASP N N 15 117.744 . . 1 . . . . 190 Asp N . 18609 1 658 . 1 1 192 192 LYS H H 1 7.854 . . 1 . . . . 191 Lys H . 18609 1 659 . 1 1 192 192 LYS CA C 13 54.412 . . 1 . . . . 191 Lys CA . 18609 1 660 . 1 1 192 192 LYS CB C 13 38.600 . . 1 . . . . 191 Lys CB . 18609 1 661 . 1 1 192 192 LYS N N 15 120.177 . . 1 . . . . 191 Lys N . 18609 1 662 . 1 1 193 193 MET H H 1 8.040 . . 1 . . . . 192 Met H . 18609 1 663 . 1 1 193 193 MET CA C 13 53.365 . . 1 . . . . 192 Met CA . 18609 1 664 . 1 1 193 193 MET CB C 13 13.790 . . 1 . . . . 192 Met CB . 18609 1 665 . 1 1 193 193 MET N N 15 116.153 . . 1 . . . . 192 Met N . 18609 1 666 . 1 1 194 194 ASP H H 1 8.598 . . 1 . . . . 193 Asp H . 18609 1 667 . 1 1 194 194 ASP CA C 13 55.057 . . 1 . . . . 193 Asp CA . 18609 1 668 . 1 1 194 194 ASP CB C 13 25.007 . . 1 . . . . 193 Asp CB . 18609 1 669 . 1 1 194 194 ASP N N 15 119.054 . . 1 . . . . 193 Asp N . 18609 1 670 . 1 1 195 195 ALA H H 1 7.385 . . 1 . . . . 194 Ala H . 18609 1 671 . 1 1 195 195 ALA CA C 13 52.091 . . 1 . . . . 194 Ala CA . 18609 1 672 . 1 1 195 195 ALA CB C 13 36.772 . . 1 . . . . 194 Ala CB . 18609 1 673 . 1 1 195 195 ALA N N 15 121.581 . . 1 . . . . 194 Ala N . 18609 1 674 . 1 1 196 196 TRP H H 1 8.296 . . 1 . . . . 195 Trp H . 18609 1 675 . 1 1 196 196 TRP CA C 13 54.815 . . 1 . . . . 195 Trp CA . 18609 1 676 . 1 1 196 196 TRP CB C 13 58.147 . . 1 . . . . 195 Trp CB . 18609 1 677 . 1 1 196 196 TRP N N 15 121.674 . . 1 . . . . 195 Trp N . 18609 1 678 . 1 1 197 197 LEU H H 1 8.518 . . 1 . . . . 196 Leu H . 18609 1 679 . 1 1 197 197 LEU CA C 13 52.941 . . 1 . . . . 196 Leu CA . 18609 1 680 . 1 1 197 197 LEU CB C 13 41.609 . . 1 . . . . 196 Leu CB . 18609 1 681 . 1 1 197 197 LEU N N 15 117.838 . . 1 . . . . 196 Leu N . 18609 1 682 . 1 1 198 198 SER H H 1 7.512 . . 1 . . . . 197 Ser H . 18609 1 683 . 1 1 198 198 SER CA C 13 55.278 . . 1 . . . . 197 Ser CA . 18609 1 684 . 1 1 198 198 SER CB C 13 17.145 . . 1 . . . . 197 Ser CB . 18609 1 685 . 1 1 198 198 SER N N 15 113.475 . . 1 . . . . 197 Ser N . 18609 1 686 . 1 1 199 199 GLY H H 1 7.216 . . 1 . . . . 198 Gly H . 18609 1 687 . 1 1 199 199 GLY CA C 13 41.618 . . 1 . . . . 198 Gly CA . 18609 1 688 . 1 1 199 199 GLY N N 15 108.626 . . 1 . . . . 198 Gly N . 18609 1 689 . 1 1 204 204 LYS H H 1 7.642 . . 1 . . . . 203 Lys H . 18609 1 690 . 1 1 204 204 LYS CA C 13 52.794 . . 1 . . . . 203 Lys CA . 18609 1 691 . 1 1 204 204 LYS CB C 13 31.252 . . 1 . . . . 203 Lys CB . 18609 1 692 . 1 1 204 204 LYS N N 15 116.649 . . 1 . . . . 203 Lys N . 18609 1 693 . 1 1 205 205 ILE H H 1 6.609 . . 1 . . . . 204 Ile H . 18609 1 694 . 1 1 205 205 ILE CA C 13 61.182 . . 1 . . . . 204 Ile CA . 18609 1 695 . 1 1 205 205 ILE CB C 13 36.203 . . 1 . . . . 204 Ile CB . 18609 1 696 . 1 1 205 205 ILE N N 15 117.526 . . 1 . . . . 204 Ile N . 18609 1 697 . 1 1 206 206 GLU H H 1 7.980 . . 1 . . . . 205 Glu H . 18609 1 698 . 1 1 206 206 GLU CA C 13 53.133 . . 1 . . . . 205 Glu CA . 18609 1 699 . 1 1 206 206 GLU CB C 13 27.410 . . 1 . . . . 205 Glu CB . 18609 1 700 . 1 1 206 206 GLU N N 15 122.131 . . 1 . . . . 205 Glu N . 18609 1 701 . 1 1 210 210 ALA H H 1 8.593 . . 1 . . . . 209 Ala H . 18609 1 702 . 1 1 210 210 ALA CA C 13 46.202 . . 1 . . . . 209 Ala CA . 18609 1 703 . 1 1 210 210 ALA CB C 13 19.761 . . 1 . . . . 209 Ala CB . 18609 1 704 . 1 1 210 210 ALA N N 15 126.101 . . 1 . . . . 209 Ala N . 18609 1 705 . 1 1 211 211 ASN H H 1 8.664 . . 1 . . . . 210 Asn H . 18609 1 706 . 1 1 211 211 ASN CA C 13 50.837 . . 1 . . . . 210 Asn CA . 18609 1 707 . 1 1 211 211 ASN CB C 13 38.415 . . 1 . . . . 210 Asn CB . 18609 1 708 . 1 1 211 211 ASN N N 15 113.336 . . 1 . . . . 210 Asn N . 18609 1 709 . 1 1 212 212 ASN H H 1 7.493 . . 1 . . . . 211 Asn H . 18609 1 710 . 1 1 212 212 ASN CA C 13 49.366 . . 1 . . . . 211 Asn CA . 18609 1 711 . 1 1 212 212 ASN CB C 13 37.235 . . 1 . . . . 211 Asn CB . 18609 1 712 . 1 1 212 212 ASN N N 15 111.797 . . 1 . . . . 211 Asn N . 18609 1 713 . 1 1 213 213 ASP H H 1 7.493 . . 1 . . . . 212 Asp H . 18609 1 714 . 1 1 213 213 ASP CA C 13 49.366 . . 1 . . . . 212 Asp CA . 18609 1 715 . 1 1 213 213 ASP CB C 13 37.632 . . 1 . . . . 212 Asp CB . 18609 1 716 . 1 1 213 213 ASP N N 15 111.797 . . 1 . . . . 212 Asp N . 18609 1 717 . 1 1 214 214 ALA H H 1 8.466 . . 1 . . . . 213 Ala H . 18609 1 718 . 1 1 214 214 ALA CA C 13 53.578 . . 1 . . . . 213 Ala CA . 18609 1 719 . 1 1 214 214 ALA CB C 13 14.200 . . 1 . . . . 213 Ala CB . 18609 1 720 . 1 1 214 214 ALA N N 15 122.480 . . 1 . . . . 213 Ala N . 18609 1 721 . 1 1 215 215 MET H H 1 8.589 . . 1 . . . . 214 Met H . 18609 1 722 . 1 1 215 215 MET CA C 13 55.717 . . 1 . . . . 214 Met CA . 18609 1 723 . 1 1 215 215 MET CB C 13 29.264 . . 1 . . . . 214 Met CB . 18609 1 724 . 1 1 215 215 MET N N 15 115.780 . . 1 . . . . 214 Met N . 18609 1 725 . 1 1 216 216 ALA H H 1 7.828 . . 1 . . . . 215 Ala H . 18609 1 726 . 1 1 216 216 ALA CA C 13 52.320 . . 1 . . . . 215 Ala CA . 18609 1 727 . 1 1 216 216 ALA CB C 13 14.821 . . 1 . . . . 215 Ala CB . 18609 1 728 . 1 1 216 216 ALA N N 15 122.862 . . 1 . . . . 215 Ala N . 18609 1 729 . 1 1 217 217 MET H H 1 9.008 . . 1 . . . . 216 Met H . 18609 1 730 . 1 1 217 217 MET CA C 13 55.682 . . 1 . . . . 216 Met CA . 18609 1 731 . 1 1 217 217 MET CB C 13 26.657 . . 1 . . . . 216 Met CB . 18609 1 732 . 1 1 217 217 MET N N 15 119.039 . . 1 . . . . 216 Met N . 18609 1 733 . 1 1 218 218 GLY H H 1 7.588 . . 1 . . . . 217 Gly H . 18609 1 734 . 1 1 218 218 GLY CA C 13 43.686 . . 1 . . . . 217 Gly CA . 18609 1 735 . 1 1 218 218 GLY N N 15 105.644 . . 1 . . . . 217 Gly N . 18609 1 736 . 1 1 221 221 GLU H H 1 7.481 . . 1 . . . . 220 Glu H . 18609 1 737 . 1 1 221 221 GLU CA C 13 56.539 . . 1 . . . . 220 Glu CA . 18609 1 738 . 1 1 221 221 GLU CB C 13 26.123 . . 1 . . . . 220 Glu CB . 18609 1 739 . 1 1 221 221 GLU N N 15 118.199 . . 1 . . . . 220 Glu N . 18609 1 740 . 1 1 222 222 ALA H H 1 7.765 . . 1 . . . . 221 Ala H . 18609 1 741 . 1 1 222 222 ALA CA C 13 51.912 . . 1 . . . . 221 Ala CA . 18609 1 742 . 1 1 222 222 ALA CB C 13 15.876 . . 1 . . . . 221 Ala CB . 18609 1 743 . 1 1 222 222 ALA N N 15 122.253 . . 1 . . . . 221 Ala N . 18609 1 744 . 1 1 225 225 ALA H H 1 7.703 . . 1 . . . . 224 Ala H . 18609 1 745 . 1 1 225 225 ALA CA C 13 51.440 . . 1 . . . . 224 Ala CA . 18609 1 746 . 1 1 225 225 ALA CB C 13 14.720 . . 1 . . . . 224 Ala CB . 18609 1 747 . 1 1 225 225 ALA N N 15 122.362 . . 1 . . . . 224 Ala N . 18609 1 748 . 1 1 226 226 HIS H H 1 7.463 . . 1 . . . . 225 His H . 18609 1 749 . 1 1 226 226 HIS CA C 13 53.116 . . 1 . . . . 225 His CA . 18609 1 750 . 1 1 226 226 HIS CB C 13 27.031 . . 1 . . . . 225 His CB . 18609 1 751 . 1 1 226 226 HIS N N 15 113.938 . . 1 . . . . 225 His N . 18609 1 752 . 1 1 227 227 ASN H H 1 8.062 . . 1 . . . . 226 Asn H . 18609 1 753 . 1 1 227 227 ASN CA C 13 51.676 . . 1 . . . . 226 Asn CA . 18609 1 754 . 1 1 227 227 ASN CB C 13 33.722 . . 1 . . . . 226 Asn CB . 18609 1 755 . 1 1 227 227 ASN N N 15 116.262 . . 1 . . . . 226 Asn N . 18609 1 756 . 1 1 228 228 LYS H H 1 8.446 . . 1 . . . . 227 Lys H . 18609 1 757 . 1 1 228 228 LYS CA C 13 51.467 . . 1 . . . . 227 Lys CA . 18609 1 758 . 1 1 228 228 LYS CB C 13 29.592 . . 1 . . . . 227 Lys CB . 18609 1 759 . 1 1 228 228 LYS N N 15 118.566 . . 1 . . . . 227 Lys N . 18609 1 760 . 1 1 229 229 SER H H 1 7.921 . . 1 . . . . 228 Ser H . 18609 1 761 . 1 1 229 229 SER CA C 13 57.810 . . 1 . . . . 228 Ser CA . 18609 1 762 . 1 1 229 229 SER CB C 13 58.091 . . 1 . . . . 228 Ser CB . 18609 1 763 . 1 1 229 229 SER N N 15 113.505 . . 1 . . . . 228 Ser N . 18609 1 764 . 1 1 233 233 VAL H H 1 7.261 . . 1 . . . . 232 Val H . 18609 1 765 . 1 1 233 233 VAL CA C 13 56.751 . . 1 . . . . 232 Val CA . 18609 1 766 . 1 1 233 233 VAL CB C 13 30.978 . . 1 . . . . 232 Val CB . 18609 1 767 . 1 1 233 233 VAL N N 15 117.744 . . 1 . . . . 232 Val N . 18609 1 768 . 1 1 234 234 PHE H H 1 8.193 . . 1 . . . . 233 Phe H . 18609 1 769 . 1 1 234 234 PHE CA C 13 53.577 . . 1 . . . . 233 Phe CA . 18609 1 770 . 1 1 234 234 PHE CB C 13 39.887 . . 1 . . . . 233 Phe CB . 18609 1 771 . 1 1 234 234 PHE N N 15 122.446 . . 1 . . . . 233 Phe N . 18609 1 772 . 1 1 235 235 GLY H H 1 8.152 . . 1 . . . . 234 Gly H . 18609 1 773 . 1 1 235 235 GLY CA C 13 40.293 . . 1 . . . . 234 Gly CA . 18609 1 774 . 1 1 235 235 GLY N N 15 106.785 . . 1 . . . . 234 Gly N . 18609 1 775 . 1 1 236 236 VAL H H 1 6.021 . . 1 . . . . 235 Val H . 18609 1 776 . 1 1 236 236 VAL CA C 13 63.265 . . 1 . . . . 235 Val CA . 18609 1 777 . 1 1 236 236 VAL CB C 13 33.393 . . 1 . . . . 235 Val CB . 18609 1 778 . 1 1 236 236 VAL N N 15 114.979 . . 1 . . . . 235 Val N . 18609 1 779 . 1 1 237 237 ASP H H 1 9.267 . . 1 . . . . 236 Asp H . 18609 1 780 . 1 1 237 237 ASP CA C 13 58.654 . . 1 . . . . 236 Asp CA . 18609 1 781 . 1 1 237 237 ASP CB C 13 37.261 . . 1 . . . . 236 Asp CB . 18609 1 782 . 1 1 237 237 ASP N N 15 121.655 . . 1 . . . . 236 Asp N . 18609 1 783 . 1 1 238 238 ALA H H 1 9.761 . . 1 . . . . 237 Ala H . 18609 1 784 . 1 1 238 238 ALA CA C 13 49.157 . . 1 . . . . 237 Ala CA . 18609 1 785 . 1 1 238 238 ALA CB C 13 13.383 . . 1 . . . . 237 Ala CB . 18609 1 786 . 1 1 238 238 ALA N N 15 127.899 . . 1 . . . . 237 Ala N . 18609 1 787 . 1 1 239 239 LEU H H 1 8.438 . . 1 . . . . 238 Leu H . 18609 1 788 . 1 1 239 239 LEU CA C 13 50.874 . . 1 . . . . 238 Leu CA . 18609 1 789 . 1 1 239 239 LEU CB C 13 37.703 . . 1 . . . . 238 Leu CB . 18609 1 790 . 1 1 239 239 LEU N N 15 117.034 . . 1 . . . . 238 Leu N . 18609 1 791 . 1 1 241 241 GLU H H 1 9.857 . . 1 . . . . 240 Glu H . 18609 1 792 . 1 1 241 241 GLU CA C 13 56.324 . . 1 . . . . 240 Glu CA . 18609 1 793 . 1 1 241 241 GLU CB C 13 25.531 . . 1 . . . . 240 Glu CB . 18609 1 794 . 1 1 241 241 GLU N N 15 116.321 . . 1 . . . . 240 Glu N . 18609 1 795 . 1 1 242 242 ALA H H 1 7.435 . . 1 . . . . 241 Ala H . 18609 1 796 . 1 1 242 242 ALA CA C 13 50.844 . . 1 . . . . 241 Ala CA . 18609 1 797 . 1 1 242 242 ALA CB C 13 15.617 . . 1 . . . . 241 Ala CB . 18609 1 798 . 1 1 242 242 ALA N N 15 120.940 . . 1 . . . . 241 Ala N . 18609 1 799 . 1 1 243 243 LEU H H 1 8.077 . . 1 . . . . 242 Leu H . 18609 1 800 . 1 1 243 243 LEU CA C 13 55.053 . . 1 . . . . 242 Leu CA . 18609 1 801 . 1 1 243 243 LEU CB C 13 36.374 . . 1 . . . . 242 Leu CB . 18609 1 802 . 1 1 243 243 LEU N N 15 118.597 . . 1 . . . . 242 Leu N . 18609 1 803 . 1 1 244 244 ALA H H 1 7.496 . . 1 . . . . 243 Ala H . 18609 1 804 . 1 1 244 244 ALA CA C 13 51.903 . . 1 . . . . 243 Ala CA . 18609 1 805 . 1 1 244 244 ALA CB C 13 14.379 . . 1 . . . . 243 Ala CB . 18609 1 806 . 1 1 244 244 ALA N N 15 120.176 . . 1 . . . . 243 Ala N . 18609 1 807 . 1 1 245 245 LEU H H 1 7.155 . . 1 . . . . 244 Leu H . 18609 1 808 . 1 1 245 245 LEU CA C 13 53.156 . . 1 . . . . 244 Leu CA . 18609 1 809 . 1 1 245 245 LEU CB C 13 38.172 . . 1 . . . . 244 Leu CB . 18609 1 810 . 1 1 245 245 LEU N N 15 117.668 . . 1 . . . . 244 Leu N . 18609 1 811 . 1 1 246 246 VAL H H 1 8.071 . . 1 . . . . 245 Val H . 18609 1 812 . 1 1 246 246 VAL CA C 13 61.298 . . 1 . . . . 245 Val CA . 18609 1 813 . 1 1 246 246 VAL CB C 13 27.286 . . 1 . . . . 245 Val CB . 18609 1 814 . 1 1 246 246 VAL N N 15 123.427 . . 1 . . . . 245 Val N . 18609 1 815 . 1 1 247 247 LYS H H 1 7.793 . . 1 . . . . 246 Lys H . 18609 1 816 . 1 1 247 247 LYS CA C 13 56.528 . . 1 . . . . 246 Lys CA . 18609 1 817 . 1 1 247 247 LYS CB C 13 28.705 . . 1 . . . . 246 Lys CB . 18609 1 818 . 1 1 247 247 LYS N N 15 120.802 . . 1 . . . . 246 Lys N . 18609 1 819 . 1 1 248 248 SER H H 1 7.795 . . 1 . . . . 247 Ser H . 18609 1 820 . 1 1 248 248 SER CA C 13 56.113 . . 1 . . . . 247 Ser CA . 18609 1 821 . 1 1 248 248 SER CB C 13 57.891 . . 1 . . . . 247 Ser CB . 18609 1 822 . 1 1 248 248 SER N N 15 110.463 . . 1 . . . . 247 Ser N . 18609 1 823 . 1 1 249 249 GLY H H 1 7.550 . . 1 . . . . 248 Gly H . 18609 1 824 . 1 1 249 249 GLY CA C 13 42.030 . . 1 . . . . 248 Gly CA . 18609 1 825 . 1 1 249 249 GLY N N 15 109.875 . . 1 . . . . 248 Gly N . 18609 1 826 . 1 1 250 250 ALA H H 1 7.931 . . 1 . . . . 249 Ala H . 18609 1 827 . 1 1 250 250 ALA CA C 13 50.444 . . 1 . . . . 249 Ala CA . 18609 1 828 . 1 1 250 250 ALA CB C 13 16.504 . . 1 . . . . 249 Ala CB . 18609 1 829 . 1 1 250 250 ALA N N 15 123.984 . . 1 . . . . 249 Ala N . 18609 1 830 . 1 1 251 251 LEU H H 1 6.986 . . 1 . . . . 250 Leu H . 18609 1 831 . 1 1 251 251 LEU CA C 13 49.761 . . 1 . . . . 250 Leu CA . 18609 1 832 . 1 1 251 251 LEU CB C 13 41.952 . . 1 . . . . 250 Leu CB . 18609 1 833 . 1 1 251 251 LEU N N 15 116.460 . . 1 . . . . 250 Leu N . 18609 1 834 . 1 1 252 252 ALA H H 1 8.297 . . 1 . . . . 251 Ala H . 18609 1 835 . 1 1 252 252 ALA CA C 13 50.587 . . 1 . . . . 251 Ala CA . 18609 1 836 . 1 1 252 252 ALA CB C 13 15.727 . . 1 . . . . 251 Ala CB . 18609 1 837 . 1 1 252 252 ALA N N 15 126.770 . . 1 . . . . 251 Ala N . 18609 1 838 . 1 1 253 253 GLY H H 1 6.492 . . 1 . . . . 252 Gly H . 18609 1 839 . 1 1 253 253 GLY CA C 13 41.973 . . 1 . . . . 252 Gly CA . 18609 1 840 . 1 1 253 253 GLY N N 15 128.269 . . 1 . . . . 252 Gly N . 18609 1 841 . 1 1 254 254 THR H H 1 9.236 . . 1 . . . . 253 Thr H . 18609 1 842 . 1 1 254 254 THR CA C 13 55.807 . . 1 . . . . 253 Thr CA . 18609 1 843 . 1 1 254 254 THR CB C 13 55.360 . . 1 . . . . 253 Thr CB . 18609 1 844 . 1 1 254 254 THR N N 15 117.501 . . 1 . . . . 253 Thr N . 18609 1 845 . 1 1 255 255 VAL H H 1 8.403 . . 1 . . . . 254 Val H . 18609 1 846 . 1 1 255 255 VAL CA C 13 57.163 . . 1 . . . . 254 Val CA . 18609 1 847 . 1 1 255 255 VAL CB C 13 33.203 . . 1 . . . . 254 Val CB . 18609 1 848 . 1 1 255 255 VAL N N 15 120.037 . . 1 . . . . 254 Val N . 18609 1 849 . 1 1 256 256 LEU H H 1 9.906 . . 1 . . . . 255 Leu H . 18609 1 850 . 1 1 256 256 LEU CA C 13 54.209 . . 1 . . . . 255 Leu CA . 18609 1 851 . 1 1 256 256 LEU CB C 13 38.239 . . 1 . . . . 255 Leu CB . 18609 1 852 . 1 1 256 256 LEU N N 15 129.430 . . 1 . . . . 255 Leu N . 18609 1 853 . 1 1 257 257 ASN H H 1 8.252 . . 1 . . . . 256 Asn H . 18609 1 854 . 1 1 257 257 ASN CA C 13 47.981 . . 1 . . . . 256 Asn CA . 18609 1 855 . 1 1 257 257 ASN CB C 13 37.741 . . 1 . . . . 256 Asn CB . 18609 1 856 . 1 1 257 257 ASN N N 15 129.430 . . 1 . . . . 256 Asn N . 18609 1 857 . 1 1 258 258 ASP H H 1 9.027 . . 1 . . . . 257 Asp H . 18609 1 858 . 1 1 258 258 ASP CA C 13 51.444 . . 1 . . . . 257 Asp CA . 18609 1 859 . 1 1 258 258 ASP CB C 13 36.339 . . 1 . . . . 257 Asp CB . 18609 1 860 . 1 1 258 258 ASP N N 15 121.728 . . 1 . . . . 257 Asp N . 18609 1 861 . 1 1 259 259 ALA H H 1 8.492 . . 1 . . . . 258 Ala H . 18609 1 862 . 1 1 259 259 ALA CA C 13 51.436 . . 1 . . . . 258 Ala CA . 18609 1 863 . 1 1 259 259 ALA CB C 13 17.197 . . 1 . . . . 258 Ala CB . 18609 1 864 . 1 1 259 259 ALA N N 15 132.693 . . 1 . . . . 258 Ala N . 18609 1 865 . 1 1 260 260 ASN H H 1 8.374 . . 1 . . . . 259 Asn H . 18609 1 866 . 1 1 260 260 ASN CA C 13 53.781 . . 1 . . . . 259 Asn CA . 18609 1 867 . 1 1 260 260 ASN CB C 13 34.738 . . 1 . . . . 259 Asn CB . 18609 1 868 . 1 1 260 260 ASN N N 15 114.976 . . 1 . . . . 259 Asn N . 18609 1 869 . 1 1 261 261 ASN H H 1 8.155 . . 1 . . . . 260 Asn H . 18609 1 870 . 1 1 261 261 ASN CA C 13 53.172 . . 1 . . . . 260 Asn CA . 18609 1 871 . 1 1 261 261 ASN CB C 13 35.490 . . 1 . . . . 260 Asn CB . 18609 1 872 . 1 1 261 261 ASN N N 15 117.639 . . 1 . . . . 260 Asn N . 18609 1 873 . 1 1 262 262 GLN H H 1 7.792 . . 1 . . . . 261 Gln H . 18609 1 874 . 1 1 262 262 GLN CA C 13 56.955 . . 1 . . . . 261 Gln CA . 18609 1 875 . 1 1 262 262 GLN CB C 13 26.070 . . 1 . . . . 261 Gln CB . 18609 1 876 . 1 1 262 262 GLN N N 15 117.345 . . 1 . . . . 261 Gln N . 18609 1 877 . 1 1 263 263 ALA H H 1 8.514 . . 1 . . . . 262 Ala H . 18609 1 878 . 1 1 263 263 ALA CA C 13 52.110 . . 1 . . . . 262 Ala CA . 18609 1 879 . 1 1 263 263 ALA CB C 13 17.219 . . 1 . . . . 262 Ala CB . 18609 1 880 . 1 1 263 263 ALA N N 15 122.929 . . 1 . . . . 262 Ala N . 18609 1 881 . 1 1 264 264 LYS H H 1 7.429 . . 1 . . . . 263 Lys H . 18609 1 882 . 1 1 264 264 LYS CA C 13 55.495 . . 1 . . . . 263 Lys CA . 18609 1 883 . 1 1 264 264 LYS CB C 13 28.915 . . 1 . . . . 263 Lys CB . 18609 1 884 . 1 1 264 264 LYS N N 15 117.247 . . 1 . . . . 263 Lys N . 18609 1 885 . 1 1 265 265 ALA H H 1 7.759 . . 1 . . . . 264 Ala H . 18609 1 886 . 1 1 265 265 ALA CA C 13 51.725 . . 1 . . . . 264 Ala CA . 18609 1 887 . 1 1 265 265 ALA CB C 13 13.019 . . 1 . . . . 264 Ala CB . 18609 1 888 . 1 1 265 265 ALA N N 15 119.864 . . 1 . . . . 264 Ala N . 18609 1 889 . 1 1 266 266 THR H H 1 7.356 . . 1 . . . . 265 Thr H . 18609 1 890 . 1 1 266 266 THR CA C 13 64.975 . . 1 . . . . 265 Thr CA . 18609 1 891 . 1 1 266 266 THR CB C 13 54.526 . . 1 . . . . 265 Thr CB . 18609 1 892 . 1 1 266 266 THR N N 15 113.203 . . 1 . . . . 265 Thr N . 18609 1 893 . 1 1 267 267 PHE H H 1 8.021 . . 1 . . . . 266 Phe H . 18609 1 894 . 1 1 267 267 PHE CA C 13 59.488 . . 1 . . . . 266 Phe CA . 18609 1 895 . 1 1 267 267 PHE CB C 13 36.116 . . 1 . . . . 266 Phe CB . 18609 1 896 . 1 1 267 267 PHE N N 15 119.304 . . 1 . . . . 266 Phe N . 18609 1 897 . 1 1 268 268 ASP H H 1 9.281 . . 1 . . . . 267 Asp H . 18609 1 898 . 1 1 268 268 ASP CA C 13 54.207 . . 1 . . . . 267 Asp CA . 18609 1 899 . 1 1 268 268 ASP CB C 13 37.453 . . 1 . . . . 267 Asp CB . 18609 1 900 . 1 1 268 268 ASP N N 15 118.507 . . 1 . . . . 267 Asp N . 18609 1 901 . 1 1 271 271 LYS H H 1 8.486 . . 1 . . . . 270 Lys H . 18609 1 902 . 1 1 271 271 LYS CA C 13 56.423 . . 1 . . . . 270 Lys CA . 18609 1 903 . 1 1 271 271 LYS CB C 13 27.929 . . 1 . . . . 270 Lys CB . 18609 1 904 . 1 1 271 271 LYS N N 15 117.289 . . 1 . . . . 270 Lys N . 18609 1 905 . 1 1 272 272 ASN H H 1 7.761 . . 1 . . . . 271 Asn H . 18609 1 906 . 1 1 272 272 ASN CA C 13 52.558 . . 1 . . . . 271 Asn CA . 18609 1 907 . 1 1 272 272 ASN CB C 13 34.687 . . 1 . . . . 271 Asn CB . 18609 1 908 . 1 1 272 272 ASN N N 15 117.527 . . 1 . . . . 271 Asn N . 18609 1 909 . 1 1 273 273 LEU H H 1 8.343 . . 1 . . . . 272 Leu H . 18609 1 910 . 1 1 273 273 LEU CA C 13 54.420 . . 1 . . . . 272 Leu CA . 18609 1 911 . 1 1 273 273 LEU CB C 13 37.678 . . 1 . . . . 272 Leu CB . 18609 1 912 . 1 1 273 273 LEU N N 15 118.487 . . 1 . . . . 272 Leu N . 18609 1 913 . 1 1 274 274 ALA H H 1 8.560 . . 1 . . . . 273 Ala H . 18609 1 914 . 1 1 274 274 ALA CA C 13 51.647 . . 1 . . . . 273 Ala CA . 18609 1 915 . 1 1 274 274 ALA CB C 13 15.141 . . 1 . . . . 273 Ala CB . 18609 1 916 . 1 1 274 274 ALA N N 15 124.292 . . 1 . . . . 273 Ala N . 18609 1 917 . 1 1 275 275 ASP H H 1 7.597 . . 1 . . . . 274 Asp H . 18609 1 918 . 1 1 275 275 ASP CA C 13 51.433 . . 1 . . . . 274 Asp CA . 18609 1 919 . 1 1 275 275 ASP CB C 13 38.417 . . 1 . . . . 274 Asp CB . 18609 1 920 . 1 1 275 275 ASP N N 15 115.396 . . 1 . . . . 274 Asp N . 18609 1 921 . 1 1 276 276 GLY H H 1 7.838 . . 1 . . . . 275 Gly H . 18609 1 922 . 1 1 276 276 GLY CA C 13 42.901 . . 1 . . . . 275 Gly CA . 18609 1 923 . 1 1 276 276 GLY N N 15 108.152 . . 1 . . . . 275 Gly N . 18609 1 924 . 1 1 277 277 LYS H H 1 7.953 . . 1 . . . . 276 Lys H . 18609 1 925 . 1 1 277 277 LYS CA C 13 51.438 . . 1 . . . . 276 Lys CA . 18609 1 926 . 1 1 277 277 LYS CB C 13 30.593 . . 1 . . . . 276 Lys CB . 18609 1 927 . 1 1 277 277 LYS N N 15 119.850 . . 1 . . . . 276 Lys N . 18609 1 928 . 1 1 278 278 GLY H H 1 7.945 . . 1 . . . . 277 Gly H . 18609 1 929 . 1 1 278 278 GLY CA C 13 42.627 . . 1 . . . . 277 Gly CA . 18609 1 930 . 1 1 278 278 GLY N N 15 107.099 . . 1 . . . . 277 Gly N . 18609 1 931 . 1 1 281 281 ASP H H 1 7.491 . . 1 . . . . 280 Asp H . 18609 1 932 . 1 1 281 281 ASP CA C 13 53.588 . . 1 . . . . 280 Asp CA . 18609 1 933 . 1 1 281 281 ASP CB C 13 37.211 . . 1 . . . . 280 Asp CB . 18609 1 934 . 1 1 281 281 ASP N N 15 124.595 . . 1 . . . . 280 Asp N . 18609 1 935 . 1 1 290 290 LYS H H 1 8.332 . . 1 . . . . 289 Lys H . 18609 1 936 . 1 1 290 290 LYS CA C 13 56.571 . . 1 . . . . 289 Lys CA . 18609 1 937 . 1 1 290 290 LYS CB C 13 25.856 . . 1 . . . . 289 Lys CB . 18609 1 938 . 1 1 290 290 LYS N N 15 107.468 . . 1 . . . . 289 Lys N . 18609 1 939 . 1 1 291 291 VAL H H 1 7.421 . . 1 . . . . 290 Val H . 18609 1 940 . 1 1 291 291 VAL CA C 13 57.379 . . 1 . . . . 290 Val CA . 18609 1 941 . 1 1 291 291 VAL CB C 13 31.429 . . 1 . . . . 290 Val CB . 18609 1 942 . 1 1 291 291 VAL N N 15 116.595 . . 1 . . . . 290 Val N . 18609 1 943 . 1 1 292 292 VAL H H 1 8.919 . . 1 . . . . 291 Val H . 18609 1 944 . 1 1 292 292 VAL CA C 13 58.126 . . 1 . . . . 291 Val CA . 18609 1 945 . 1 1 292 292 VAL CB C 13 31.002 . . 1 . . . . 291 Val CB . 18609 1 946 . 1 1 292 292 VAL N N 15 127.550 . . 1 . . . . 291 Val N . 18609 1 947 . 1 1 293 293 ARG H H 1 8.468 . . 1 . . . . 292 Arg H . 18609 1 948 . 1 1 293 293 ARG CA C 13 50.861 . . 1 . . . . 292 Arg CA . 18609 1 949 . 1 1 293 293 ARG CB C 13 28.027 . . 1 . . . . 292 Arg CB . 18609 1 950 . 1 1 293 293 ARG N N 15 123.566 . . 1 . . . . 292 Arg N . 18609 1 951 . 1 1 294 294 VAL H H 1 8.967 . . 1 . . . . 293 Val H . 18609 1 952 . 1 1 294 294 VAL CA C 13 56.534 . . 1 . . . . 293 Val CA . 18609 1 953 . 1 1 294 294 VAL CB C 13 29.516 . . 1 . . . . 293 Val CB . 18609 1 954 . 1 1 294 294 VAL N N 15 126.940 . . 1 . . . . 293 Val N . 18609 1 955 . 1 1 296 296 TYR H H 1 8.651 . . 1 . . . . 295 Tyr H . 18609 1 956 . 1 1 296 296 TYR CA C 13 54.638 . . 1 . . . . 295 Tyr CA . 18609 1 957 . 1 1 296 296 TYR CB C 13 37.699 . . 1 . . . . 295 Tyr CB . 18609 1 958 . 1 1 296 296 TYR N N 15 122.704 . . 1 . . . . 295 Tyr N . 18609 1 959 . 1 1 297 297 VAL H H 1 7.132 . . 1 . . . . 296 Val H . 18609 1 960 . 1 1 297 297 VAL CA C 13 58.683 . . 1 . . . . 296 Val CA . 18609 1 961 . 1 1 297 297 VAL CB C 13 32.905 . . 1 . . . . 296 Val CB . 18609 1 962 . 1 1 297 297 VAL N N 15 113.328 . . 1 . . . . 296 Val N . 18609 1 963 . 1 1 298 298 GLY H H 1 9.374 . . 1 . . . . 297 Gly H . 18609 1 964 . 1 1 298 298 GLY CA C 13 43.920 . . 1 . . . . 297 Gly CA . 18609 1 965 . 1 1 298 298 GLY N N 15 115.876 . . 1 . . . . 297 Gly N . 18609 1 966 . 1 1 299 299 VAL H H 1 8.739 . . 1 . . . . 298 Val H . 18609 1 967 . 1 1 299 299 VAL CA C 13 58.681 . . 1 . . . . 298 Val CA . 18609 1 968 . 1 1 299 299 VAL CB C 13 31.223 . . 1 . . . . 298 Val CB . 18609 1 969 . 1 1 299 299 VAL N N 15 124.119 . . 1 . . . . 298 Val N . 18609 1 970 . 1 1 300 300 ASP H H 1 9.122 . . 1 . . . . 299 Asp H . 18609 1 971 . 1 1 300 300 ASP CA C 13 49.576 . . 1 . . . . 299 Asp CA . 18609 1 972 . 1 1 300 300 ASP CB C 13 38.563 . . 1 . . . . 299 Asp CB . 18609 1 973 . 1 1 300 300 ASP N N 15 125.989 . . 1 . . . . 299 Asp N . 18609 1 974 . 1 1 301 301 LYS H H 1 8.670 . . 1 . . . . 300 Lys H . 18609 1 975 . 1 1 301 301 LYS CA C 13 56.555 . . 1 . . . . 300 Lys CA . 18609 1 976 . 1 1 301 301 LYS CB C 13 28.713 . . 1 . . . . 300 Lys CB . 18609 1 977 . 1 1 301 301 LYS N N 15 113.916 . . 1 . . . . 300 Lys N . 18609 1 978 . 1 1 302 302 ASP H H 1 8.217 . . 1 . . . . 301 Asp H . 18609 1 979 . 1 1 302 302 ASP CA C 13 53.787 . . 1 . . . . 301 Asp CA . 18609 1 980 . 1 1 302 302 ASP CB C 13 37.527 . . 1 . . . . 301 Asp CB . 18609 1 981 . 1 1 302 302 ASP N N 15 118.129 . . 1 . . . . 301 Asp N . 18609 1 982 . 1 1 303 303 ASN H H 1 7.983 . . 1 . . . . 302 Asn H . 18609 1 983 . 1 1 303 303 ASN CA C 13 49.326 . . 1 . . . . 302 Asn CA . 18609 1 984 . 1 1 303 303 ASN CB C 13 35.359 . . 1 . . . . 302 Asn CB . 18609 1 985 . 1 1 303 303 ASN N N 15 116.659 . . 1 . . . . 302 Asn N . 18609 1 986 . 1 1 304 304 LEU H H 1 7.472 . . 1 . . . . 303 Leu H . 18609 1 987 . 1 1 304 304 LEU CA C 13 55.258 . . 1 . . . . 303 Leu CA . 18609 1 988 . 1 1 304 304 LEU CB C 13 38.954 . . 1 . . . . 303 Leu CB . 18609 1 989 . 1 1 304 304 LEU N N 15 121.264 . . 1 . . . . 303 Leu N . 18609 1 990 . 1 1 305 305 ALA H H 1 8.533 . . 1 . . . . 304 Ala H . 18609 1 991 . 1 1 305 305 ALA CA C 13 51.373 . . 1 . . . . 304 Ala CA . 18609 1 992 . 1 1 305 305 ALA CB C 13 14.857 . . 1 . . . . 304 Ala CB . 18609 1 993 . 1 1 305 305 ALA N N 15 119.010 . . 1 . . . . 304 Ala N . 18609 1 994 . 1 1 306 306 GLU H H 1 7.889 . . 1 . . . . 305 Glu H . 18609 1 995 . 1 1 306 306 GLU CA C 13 54.631 . . 1 . . . . 305 Glu CA . 18609 1 996 . 1 1 306 306 GLU CB C 13 25.728 . . 1 . . . . 305 Glu CB . 18609 1 997 . 1 1 306 306 GLU N N 15 115.700 . . 1 . . . . 305 Glu N . 18609 1 998 . 1 1 307 307 PHE H H 1 7.734 . . 1 . . . . 306 Phe H . 18609 1 999 . 1 1 307 307 PHE CA C 13 55.714 . . 1 . . . . 306 Phe CA . 18609 1 1000 . 1 1 307 307 PHE CB C 13 36.656 . . 1 . . . . 306 Phe CB . 18609 1 1001 . 1 1 307 307 PHE N N 15 116.350 . . 1 . . . . 306 Phe N . 18609 1 1002 . 1 1 308 308 SER H H 1 7.653 . . 1 . . . . 307 Ser H . 18609 1 1003 . 1 1 308 308 SER CA C 13 55.095 . . 1 . . . . 307 Ser CA . 18609 1 1004 . 1 1 308 308 SER CB C 13 58.268 . . 1 . . . . 307 Ser CB . 18609 1 1005 . 1 1 308 308 SER N N 15 114.248 . . 1 . . . . 307 Ser N . 18609 1 1006 . 1 1 310 310 LYS H H 1 7.808 . . 1 . . . . 309 Lys H . 18609 1 1007 . 1 1 310 310 LYS CA C 13 54.622 . . 1 . . . . 309 Lys CA . 18609 1 1008 . 1 1 310 310 LYS CB C 13 30.158 . . 1 . . . . 309 Lys CB . 18609 1 1009 . 1 1 310 310 LYS N N 15 127.430 . . 1 . . . . 309 Lys N . 18609 1 stop_ save_