data_18601 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18601 _Entry.Title ; GGBP Ecoli unliganded solution structure ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-07-19 _Entry.Accession_date 2012-07-19 _Entry.Last_release_date 2012-08-27 _Entry.Original_release_date 2012-08-27 _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 'RDCs based solution structure of unliganded Ecoli 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 . . . 18601 2 David Castano . . . 18601 3 Gabriel Ortega . . . 18601 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18601 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Galactose . 18601 GGBP . 18601 Glucose . 18601 Solution . 18601 Unliganded . 18601 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18601 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 542 18601 '15N chemical shifts' 281 18601 '1H chemical shifts' 281 18601 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 . . 2012-08-27 2012-07-19 original author . 18601 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' 18601 BMRB 18601 'Ecoli GGBP sugar free backbone assignment' 18601 BMRB 18609 'Ecoli GGBP sugar backbone assignment' 18601 PDB 1URP 'X-ray structure of open unliganded E.coli Ribose Binding Protein' 18601 PDB 2DRI 'X-ray structure of closed ligand bound E.coli Ribose Binding Protein' 18601 PDB 2FW0 'Open X-ray structure of ligand free Ecoli GGBP' 18601 PDB 2HPH 'Closed X-ray structure of ligand bound Ecoli GGBP' 18601 PDB 2lw0 'Ecoli RBP sugar free solution structure' 18601 PDB 2lw2 'Ecoli GGBP sugar free solution structure' 18601 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18601 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'GGBP free solution structure' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Oscar Millet . . . 18601 1 2 Gabriel Ortega . . . 18601 1 3 David Castano . . . 18601 1 4 Tammo Ortega . . . 18601 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18601 _Assembly.ID 1 _Assembly.Name GGBP_unbound _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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_unbound 1 $GGBP_unbound X . yes native no no . . . 18601 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GGBP_unbound _Entity.Sf_category entity _Entity.Sf_framecode GGBP_unbound _Entity.Entry_ID 18601 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name GGBP_unbound _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID X _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 yes _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 present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 33551.020 _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 18609 . GGBP . . . . . 100.00 310 100.00 100.00 0.00e+00 . . . . 18601 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 . . . . 18601 1 3 no PDB 2FVY . "High Resolution Glucose Bound Crystal Structure Of Ggbp" . . . . . 99.68 309 100.00 100.00 0.00e+00 . . . . 18601 1 4 no PDB 2FW0 . "Apo Open Form Of Glucose/galactose Binding Protein" . . . . . 99.68 309 100.00 100.00 0.00e+00 . . . . 18601 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 . . . . 18601 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 . . . . 18601 1 7 no PDB 2IPL . "Crystal Structure Of A Disulfide Mutant Glucose Binding Protein" . . . . . 100.00 318 99.35 99.35 0.00e+00 . . . . 18601 1 8 no PDB 2IPM . "Crystal Structure Of A Disulfide Mutant Glucose Binding Protein" . . . . . 100.00 318 99.35 99.35 0.00e+00 . . . . 18601 1 9 no PDB 2IPN . "Crystal Structure Of A Disulfide Mutant Glucose Binding Protein" . . . . . 100.00 318 99.35 99.35 0.00e+00 . . . . 18601 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 . . . . 18601 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 . . . . 18601 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 . . . . 18601 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 . . . . 18601 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 . . . . 18601 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 . . . . 18601 1 16 no EMBL CAA29132 . "GBP(mg1B) [Escherichia coli]" . . . . . 99.68 332 100.00 100.00 0.00e+00 . . . . 18601 1 17 no EMBL CAP76652 . "D-galactose-binding periplasmic protein [Escherichia coli LF82]" . . . . . 99.68 332 100.00 100.00 0.00e+00 . . . . 18601 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 . . . . 18601 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 . . . . 18601 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 . . . . 18601 1 21 no GB AAA24169 . "galactoside binding protein [Escherichia coli]" . . . . . 99.68 332 100.00 100.00 0.00e+00 . . . . 18601 1 22 no GB AAA60523 . "D-galactose periplasmic binding protein [Escherichia coli]" . . . . . 99.68 332 100.00 100.00 0.00e+00 . . . . 18601 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 . . . . 18601 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 . . . . 18601 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 . . . . 18601 1 26 no PRF 2014253AU . "mglB gene" . . . . . 99.68 332 100.00 100.00 0.00e+00 . . . . 18601 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 . . . . 18601 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 . . . . 18601 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 . . . . 18601 1 30 no REF WP_001035789 . "galactose ABC transporter substrate-binding protein [Escherichia coli]" . . . . . 99.68 332 100.00 100.00 0.00e+00 . . . . 18601 1 31 no REF WP_001036935 . "galactose ABC transporter substrate-binding protein [Escherichia fergusonii]" . . . . . 99.68 332 100.00 100.00 0.00e+00 . . . . 18601 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 . . . . 18601 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 . . . . 18601 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 . . . . 18601 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 . 18601 1 2 1 ALA . 18601 1 3 2 ASP . 18601 1 4 3 THR . 18601 1 5 4 ARG . 18601 1 6 5 ILE . 18601 1 7 6 GLY . 18601 1 8 7 VAL . 18601 1 9 8 THR . 18601 1 10 9 ILE . 18601 1 11 10 TYR . 18601 1 12 11 LYS . 18601 1 13 12 TYR . 18601 1 14 13 ASP . 18601 1 15 14 ASP . 18601 1 16 15 ASN . 18601 1 17 16 PHE . 18601 1 18 17 MET . 18601 1 19 18 SER . 18601 1 20 19 VAL . 18601 1 21 20 VAL . 18601 1 22 21 ARG . 18601 1 23 22 LYS . 18601 1 24 23 ALA . 18601 1 25 24 ILE . 18601 1 26 25 GLU . 18601 1 27 26 GLN . 18601 1 28 27 ASP . 18601 1 29 28 ALA . 18601 1 30 29 LYS . 18601 1 31 30 ALA . 18601 1 32 31 ALA . 18601 1 33 32 PRO . 18601 1 34 33 ASP . 18601 1 35 34 VAL . 18601 1 36 35 GLN . 18601 1 37 36 LEU . 18601 1 38 37 LEU . 18601 1 39 38 MET . 18601 1 40 39 ASN . 18601 1 41 40 ASP . 18601 1 42 41 SER . 18601 1 43 42 GLN . 18601 1 44 43 ASN . 18601 1 45 44 ASP . 18601 1 46 45 GLN . 18601 1 47 46 SER . 18601 1 48 47 LYS . 18601 1 49 48 GLN . 18601 1 50 49 ASN . 18601 1 51 50 ASP . 18601 1 52 51 GLN . 18601 1 53 52 ILE . 18601 1 54 53 ASP . 18601 1 55 54 VAL . 18601 1 56 55 LEU . 18601 1 57 56 LEU . 18601 1 58 57 ALA . 18601 1 59 58 LYS . 18601 1 60 59 GLY . 18601 1 61 60 VAL . 18601 1 62 61 LYS . 18601 1 63 62 ALA . 18601 1 64 63 LEU . 18601 1 65 64 ALA . 18601 1 66 65 ILE . 18601 1 67 66 ASN . 18601 1 68 67 LEU . 18601 1 69 68 VAL . 18601 1 70 69 ASP . 18601 1 71 70 PRO . 18601 1 72 71 ALA . 18601 1 73 72 ALA . 18601 1 74 73 ALA . 18601 1 75 74 GLY . 18601 1 76 75 THR . 18601 1 77 76 VAL . 18601 1 78 77 ILE . 18601 1 79 78 GLU . 18601 1 80 79 LYS . 18601 1 81 80 ALA . 18601 1 82 81 ARG . 18601 1 83 82 GLY . 18601 1 84 83 GLN . 18601 1 85 84 ASN . 18601 1 86 85 VAL . 18601 1 87 86 PRO . 18601 1 88 87 VAL . 18601 1 89 88 VAL . 18601 1 90 89 PHE . 18601 1 91 90 PHE . 18601 1 92 91 ASN . 18601 1 93 92 LYS . 18601 1 94 93 GLU . 18601 1 95 94 PRO . 18601 1 96 95 SER . 18601 1 97 96 ARG . 18601 1 98 97 LYS . 18601 1 99 98 ALA . 18601 1 100 99 LEU . 18601 1 101 100 ASP . 18601 1 102 101 SER . 18601 1 103 102 TYR . 18601 1 104 103 ASP . 18601 1 105 104 LYS . 18601 1 106 105 ALA . 18601 1 107 106 TYR . 18601 1 108 107 TYR . 18601 1 109 108 VAL . 18601 1 110 109 GLY . 18601 1 111 110 THR . 18601 1 112 111 ASP . 18601 1 113 112 SER . 18601 1 114 113 LYS . 18601 1 115 114 GLU . 18601 1 116 115 SER . 18601 1 117 116 GLY . 18601 1 118 117 ILE . 18601 1 119 118 ILE . 18601 1 120 119 GLN . 18601 1 121 120 GLY . 18601 1 122 121 ASP . 18601 1 123 122 LEU . 18601 1 124 123 ILE . 18601 1 125 124 ALA . 18601 1 126 125 LYS . 18601 1 127 126 HIS . 18601 1 128 127 TRP . 18601 1 129 128 ALA . 18601 1 130 129 ALA . 18601 1 131 130 ASN . 18601 1 132 131 GLN . 18601 1 133 132 GLY . 18601 1 134 133 TRP . 18601 1 135 134 ASP . 18601 1 136 135 LEU . 18601 1 137 136 ASN . 18601 1 138 137 LYS . 18601 1 139 138 ASP . 18601 1 140 139 GLY . 18601 1 141 140 GLN . 18601 1 142 141 ILE . 18601 1 143 142 GLN . 18601 1 144 143 PHE . 18601 1 145 144 VAL . 18601 1 146 145 LEU . 18601 1 147 146 LEU . 18601 1 148 147 LYS . 18601 1 149 148 GLY . 18601 1 150 149 GLU . 18601 1 151 150 PRO . 18601 1 152 151 GLY . 18601 1 153 152 HIS . 18601 1 154 153 PRO . 18601 1 155 154 ASP . 18601 1 156 155 ALA . 18601 1 157 156 GLU . 18601 1 158 157 ALA . 18601 1 159 158 ARG . 18601 1 160 159 THR . 18601 1 161 160 THR . 18601 1 162 161 TYR . 18601 1 163 162 VAL . 18601 1 164 163 ILE . 18601 1 165 164 LYS . 18601 1 166 165 GLU . 18601 1 167 166 LEU . 18601 1 168 167 ASN . 18601 1 169 168 ASP . 18601 1 170 169 LYS . 18601 1 171 170 GLY . 18601 1 172 171 ILE . 18601 1 173 172 LYS . 18601 1 174 173 THR . 18601 1 175 174 GLU . 18601 1 176 175 GLN . 18601 1 177 176 LEU . 18601 1 178 177 GLN . 18601 1 179 178 LEU . 18601 1 180 179 ASP . 18601 1 181 180 THR . 18601 1 182 181 ALA . 18601 1 183 182 MET . 18601 1 184 183 TRP . 18601 1 185 184 ASP . 18601 1 186 185 THR . 18601 1 187 186 ALA . 18601 1 188 187 GLN . 18601 1 189 188 ALA . 18601 1 190 189 LYS . 18601 1 191 190 ASP . 18601 1 192 191 LYS . 18601 1 193 192 MET . 18601 1 194 193 ASP . 18601 1 195 194 ALA . 18601 1 196 195 TRP . 18601 1 197 196 LEU . 18601 1 198 197 SER . 18601 1 199 198 GLY . 18601 1 200 199 PRO . 18601 1 201 200 ASN . 18601 1 202 201 ALA . 18601 1 203 202 ASN . 18601 1 204 203 LYS . 18601 1 205 204 ILE . 18601 1 206 205 GLU . 18601 1 207 206 VAL . 18601 1 208 207 VAL . 18601 1 209 208 ILE . 18601 1 210 209 ALA . 18601 1 211 210 ASN . 18601 1 212 211 ASN . 18601 1 213 212 ASP . 18601 1 214 213 ALA . 18601 1 215 214 MET . 18601 1 216 215 ALA . 18601 1 217 216 MET . 18601 1 218 217 GLY . 18601 1 219 218 ALA . 18601 1 220 219 VAL . 18601 1 221 220 GLU . 18601 1 222 221 ALA . 18601 1 223 222 LEU . 18601 1 224 223 LYS . 18601 1 225 224 ALA . 18601 1 226 225 HIS . 18601 1 227 226 ASN . 18601 1 228 227 LYS . 18601 1 229 228 SER . 18601 1 230 229 SER . 18601 1 231 230 ILE . 18601 1 232 231 PRO . 18601 1 233 232 VAL . 18601 1 234 233 PHE . 18601 1 235 234 GLY . 18601 1 236 235 VAL . 18601 1 237 236 ASP . 18601 1 238 237 ALA . 18601 1 239 238 LEU . 18601 1 240 239 PRO . 18601 1 241 240 GLU . 18601 1 242 241 ALA . 18601 1 243 242 LEU . 18601 1 244 243 ALA . 18601 1 245 244 LEU . 18601 1 246 245 VAL . 18601 1 247 246 LYS . 18601 1 248 247 SER . 18601 1 249 248 GLY . 18601 1 250 249 ALA . 18601 1 251 250 LEU . 18601 1 252 251 ALA . 18601 1 253 252 GLY . 18601 1 254 253 THR . 18601 1 255 254 VAL . 18601 1 256 255 LEU . 18601 1 257 256 ASN . 18601 1 258 257 ASP . 18601 1 259 258 ALA . 18601 1 260 259 ASN . 18601 1 261 260 ASN . 18601 1 262 261 GLN . 18601 1 263 262 ALA . 18601 1 264 263 LYS . 18601 1 265 264 ALA . 18601 1 266 265 THR . 18601 1 267 266 PHE . 18601 1 268 267 ASP . 18601 1 269 268 LEU . 18601 1 270 269 ALA . 18601 1 271 270 LYS . 18601 1 272 271 ASN . 18601 1 273 272 LEU . 18601 1 274 273 ALA . 18601 1 275 274 ASP . 18601 1 276 275 GLY . 18601 1 277 276 LYS . 18601 1 278 277 GLY . 18601 1 279 278 ALA . 18601 1 280 279 ALA . 18601 1 281 280 ASP . 18601 1 282 281 GLY . 18601 1 283 282 THR . 18601 1 284 283 ASN . 18601 1 285 284 TRP . 18601 1 286 285 LYS . 18601 1 287 286 ILE . 18601 1 288 287 ASP . 18601 1 289 288 ASN . 18601 1 290 289 LYS . 18601 1 291 290 VAL . 18601 1 292 291 VAL . 18601 1 293 292 ARG . 18601 1 294 293 VAL . 18601 1 295 294 PRO . 18601 1 296 295 TYR . 18601 1 297 296 VAL . 18601 1 298 297 GLY . 18601 1 299 298 VAL . 18601 1 300 299 ASP . 18601 1 301 300 LYS . 18601 1 302 301 ASP . 18601 1 303 302 ASN . 18601 1 304 303 LEU . 18601 1 305 304 ALA . 18601 1 306 305 GLU . 18601 1 307 306 PHE . 18601 1 308 307 SER . 18601 1 309 308 LYS . 18601 1 310 309 LYS . 18601 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 18601 1 . ALA 2 2 18601 1 . ASP 3 3 18601 1 . THR 4 4 18601 1 . ARG 5 5 18601 1 . ILE 6 6 18601 1 . GLY 7 7 18601 1 . VAL 8 8 18601 1 . THR 9 9 18601 1 . ILE 10 10 18601 1 . TYR 11 11 18601 1 . LYS 12 12 18601 1 . TYR 13 13 18601 1 . ASP 14 14 18601 1 . ASP 15 15 18601 1 . ASN 16 16 18601 1 . PHE 17 17 18601 1 . MET 18 18 18601 1 . SER 19 19 18601 1 . VAL 20 20 18601 1 . VAL 21 21 18601 1 . ARG 22 22 18601 1 . LYS 23 23 18601 1 . ALA 24 24 18601 1 . ILE 25 25 18601 1 . GLU 26 26 18601 1 . GLN 27 27 18601 1 . ASP 28 28 18601 1 . ALA 29 29 18601 1 . LYS 30 30 18601 1 . ALA 31 31 18601 1 . ALA 32 32 18601 1 . PRO 33 33 18601 1 . ASP 34 34 18601 1 . VAL 35 35 18601 1 . GLN 36 36 18601 1 . LEU 37 37 18601 1 . LEU 38 38 18601 1 . MET 39 39 18601 1 . ASN 40 40 18601 1 . ASP 41 41 18601 1 . SER 42 42 18601 1 . GLN 43 43 18601 1 . ASN 44 44 18601 1 . ASP 45 45 18601 1 . GLN 46 46 18601 1 . SER 47 47 18601 1 . LYS 48 48 18601 1 . GLN 49 49 18601 1 . ASN 50 50 18601 1 . ASP 51 51 18601 1 . GLN 52 52 18601 1 . ILE 53 53 18601 1 . ASP 54 54 18601 1 . VAL 55 55 18601 1 . LEU 56 56 18601 1 . LEU 57 57 18601 1 . ALA 58 58 18601 1 . LYS 59 59 18601 1 . GLY 60 60 18601 1 . VAL 61 61 18601 1 . LYS 62 62 18601 1 . ALA 63 63 18601 1 . LEU 64 64 18601 1 . ALA 65 65 18601 1 . ILE 66 66 18601 1 . ASN 67 67 18601 1 . LEU 68 68 18601 1 . VAL 69 69 18601 1 . ASP 70 70 18601 1 . PRO 71 71 18601 1 . ALA 72 72 18601 1 . ALA 73 73 18601 1 . ALA 74 74 18601 1 . GLY 75 75 18601 1 . THR 76 76 18601 1 . VAL 77 77 18601 1 . ILE 78 78 18601 1 . GLU 79 79 18601 1 . LYS 80 80 18601 1 . ALA 81 81 18601 1 . ARG 82 82 18601 1 . GLY 83 83 18601 1 . GLN 84 84 18601 1 . ASN 85 85 18601 1 . VAL 86 86 18601 1 . PRO 87 87 18601 1 . VAL 88 88 18601 1 . VAL 89 89 18601 1 . PHE 90 90 18601 1 . PHE 91 91 18601 1 . ASN 92 92 18601 1 . LYS 93 93 18601 1 . GLU 94 94 18601 1 . PRO 95 95 18601 1 . SER 96 96 18601 1 . ARG 97 97 18601 1 . LYS 98 98 18601 1 . ALA 99 99 18601 1 . LEU 100 100 18601 1 . ASP 101 101 18601 1 . SER 102 102 18601 1 . TYR 103 103 18601 1 . ASP 104 104 18601 1 . LYS 105 105 18601 1 . ALA 106 106 18601 1 . TYR 107 107 18601 1 . TYR 108 108 18601 1 . VAL 109 109 18601 1 . GLY 110 110 18601 1 . THR 111 111 18601 1 . ASP 112 112 18601 1 . SER 113 113 18601 1 . LYS 114 114 18601 1 . GLU 115 115 18601 1 . SER 116 116 18601 1 . GLY 117 117 18601 1 . ILE 118 118 18601 1 . ILE 119 119 18601 1 . GLN 120 120 18601 1 . GLY 121 121 18601 1 . ASP 122 122 18601 1 . LEU 123 123 18601 1 . ILE 124 124 18601 1 . ALA 125 125 18601 1 . LYS 126 126 18601 1 . HIS 127 127 18601 1 . TRP 128 128 18601 1 . ALA 129 129 18601 1 . ALA 130 130 18601 1 . ASN 131 131 18601 1 . GLN 132 132 18601 1 . GLY 133 133 18601 1 . TRP 134 134 18601 1 . ASP 135 135 18601 1 . LEU 136 136 18601 1 . ASN 137 137 18601 1 . LYS 138 138 18601 1 . ASP 139 139 18601 1 . GLY 140 140 18601 1 . GLN 141 141 18601 1 . ILE 142 142 18601 1 . GLN 143 143 18601 1 . PHE 144 144 18601 1 . VAL 145 145 18601 1 . LEU 146 146 18601 1 . LEU 147 147 18601 1 . LYS 148 148 18601 1 . GLY 149 149 18601 1 . GLU 150 150 18601 1 . PRO 151 151 18601 1 . GLY 152 152 18601 1 . HIS 153 153 18601 1 . PRO 154 154 18601 1 . ASP 155 155 18601 1 . ALA 156 156 18601 1 . GLU 157 157 18601 1 . ALA 158 158 18601 1 . ARG 159 159 18601 1 . THR 160 160 18601 1 . THR 161 161 18601 1 . TYR 162 162 18601 1 . VAL 163 163 18601 1 . ILE 164 164 18601 1 . LYS 165 165 18601 1 . GLU 166 166 18601 1 . LEU 167 167 18601 1 . ASN 168 168 18601 1 . ASP 169 169 18601 1 . LYS 170 170 18601 1 . GLY 171 171 18601 1 . ILE 172 172 18601 1 . LYS 173 173 18601 1 . THR 174 174 18601 1 . GLU 175 175 18601 1 . GLN 176 176 18601 1 . LEU 177 177 18601 1 . GLN 178 178 18601 1 . LEU 179 179 18601 1 . ASP 180 180 18601 1 . THR 181 181 18601 1 . ALA 182 182 18601 1 . MET 183 183 18601 1 . TRP 184 184 18601 1 . ASP 185 185 18601 1 . THR 186 186 18601 1 . ALA 187 187 18601 1 . GLN 188 188 18601 1 . ALA 189 189 18601 1 . LYS 190 190 18601 1 . ASP 191 191 18601 1 . LYS 192 192 18601 1 . MET 193 193 18601 1 . ASP 194 194 18601 1 . ALA 195 195 18601 1 . TRP 196 196 18601 1 . LEU 197 197 18601 1 . SER 198 198 18601 1 . GLY 199 199 18601 1 . PRO 200 200 18601 1 . ASN 201 201 18601 1 . ALA 202 202 18601 1 . ASN 203 203 18601 1 . LYS 204 204 18601 1 . ILE 205 205 18601 1 . GLU 206 206 18601 1 . VAL 207 207 18601 1 . VAL 208 208 18601 1 . ILE 209 209 18601 1 . ALA 210 210 18601 1 . ASN 211 211 18601 1 . ASN 212 212 18601 1 . ASP 213 213 18601 1 . ALA 214 214 18601 1 . MET 215 215 18601 1 . ALA 216 216 18601 1 . MET 217 217 18601 1 . GLY 218 218 18601 1 . ALA 219 219 18601 1 . VAL 220 220 18601 1 . GLU 221 221 18601 1 . ALA 222 222 18601 1 . LEU 223 223 18601 1 . LYS 224 224 18601 1 . ALA 225 225 18601 1 . HIS 226 226 18601 1 . ASN 227 227 18601 1 . LYS 228 228 18601 1 . SER 229 229 18601 1 . SER 230 230 18601 1 . ILE 231 231 18601 1 . PRO 232 232 18601 1 . VAL 233 233 18601 1 . PHE 234 234 18601 1 . GLY 235 235 18601 1 . VAL 236 236 18601 1 . ASP 237 237 18601 1 . ALA 238 238 18601 1 . LEU 239 239 18601 1 . PRO 240 240 18601 1 . GLU 241 241 18601 1 . ALA 242 242 18601 1 . LEU 243 243 18601 1 . ALA 244 244 18601 1 . LEU 245 245 18601 1 . VAL 246 246 18601 1 . LYS 247 247 18601 1 . SER 248 248 18601 1 . GLY 249 249 18601 1 . ALA 250 250 18601 1 . LEU 251 251 18601 1 . ALA 252 252 18601 1 . GLY 253 253 18601 1 . THR 254 254 18601 1 . VAL 255 255 18601 1 . LEU 256 256 18601 1 . ASN 257 257 18601 1 . ASP 258 258 18601 1 . ALA 259 259 18601 1 . ASN 260 260 18601 1 . ASN 261 261 18601 1 . GLN 262 262 18601 1 . ALA 263 263 18601 1 . LYS 264 264 18601 1 . ALA 265 265 18601 1 . THR 266 266 18601 1 . PHE 267 267 18601 1 . ASP 268 268 18601 1 . LEU 269 269 18601 1 . ALA 270 270 18601 1 . LYS 271 271 18601 1 . ASN 272 272 18601 1 . LEU 273 273 18601 1 . ALA 274 274 18601 1 . ASP 275 275 18601 1 . GLY 276 276 18601 1 . LYS 277 277 18601 1 . GLY 278 278 18601 1 . ALA 279 279 18601 1 . ALA 280 280 18601 1 . ASP 281 281 18601 1 . GLY 282 282 18601 1 . THR 283 283 18601 1 . ASN 284 284 18601 1 . TRP 285 285 18601 1 . LYS 286 286 18601 1 . ILE 287 287 18601 1 . ASP 288 288 18601 1 . ASN 289 289 18601 1 . LYS 290 290 18601 1 . VAL 291 291 18601 1 . VAL 292 292 18601 1 . ARG 293 293 18601 1 . VAL 294 294 18601 1 . PRO 295 295 18601 1 . TYR 296 296 18601 1 . VAL 297 297 18601 1 . GLY 298 298 18601 1 . VAL 299 299 18601 1 . ASP 300 300 18601 1 . LYS 301 301 18601 1 . ASP 302 302 18601 1 . ASN 303 303 18601 1 . LEU 304 304 18601 1 . ALA 305 305 18601 1 . GLU 306 306 18601 1 . PHE 307 307 18601 1 . SER 308 308 18601 1 . LYS 309 309 18601 1 . LYS 310 310 18601 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18601 _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_unbound . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli BL21 . . . . . . . . . . . . . . . . . . . . 18601 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 18601 _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_unbound . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pET-11d . . . 'Ampiciline resistant' . . 18601 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_assi _Sample.Sf_category sample _Sample.Sf_framecode sample_assi _Sample.Entry_ID 18601 _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 GGBP_unbound '[U-13C; U-15N; U-2H]' . . 1 $GGBP_unbound . . 1 . . mM . . . . 18601 1 2 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 18601 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 18601 1 4 'calcium chloride' 'natural abundance' . . . . . . 10 . . uM . . . . 18601 1 5 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 18601 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18601 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18601 1 stop_ save_ save_sample_rdc _Sample.Sf_category sample _Sample.Sf_framecode sample_rdc _Sample.Entry_ID 18601 _Sample.ID 2 _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 GGBP_unbound [U-15N] . . 1 $GGBP_unbound . . 1 . . mM . . . . 18601 2 2 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 18601 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 18601 2 4 'calcium chloride' 'natural abundance' . . . . . . 10 . . uM . . . . 18601 2 5 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 18601 2 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18601 2 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18601 2 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 18601 _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' 0.150 . M 18601 1 pH 7 . pH 18601 1 pressure 1 . atm 18601 1 temperature 310 . K 18601 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18601 _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' . . 18601 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18601 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18601 _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' . . 18601 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18601 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18601 _Software.ID 3 _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' . . 18601 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18601 3 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 18601 _Software.ID 4 _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' . . 18601 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18601 4 'peak picking' 18601 4 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18601 _Software.ID 5 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18601 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18601 5 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 18601 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Equipped with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18601 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 18601 _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 cryoprobe' . . 18601 1 2 spectrometer_2 Bruker INOVA . 600 . . . 18601 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 18601 _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 . . . . . . . . . . . . . . . . 18601 1 2 '3D HNCO - edited' no . . . . . . . . . . 1 $sample_assi isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18601 1 3 '3D HNCA - edited' no . . . . . . . . . . 1 $sample_assi isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18601 1 4 '3D HN(coca)CB - edited' no . . . . . . . . . . 1 $sample_assi isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18601 1 5 '3D HN(CO)CA - edited' no . . . . . . . . . . 1 $sample_assi isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18601 1 6 '3D HNCB - edited' no . . . . . . . . . . 1 $sample_assi isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18601 1 7 '2D 1H-15N HSQC - edited' no . . . . . . . . . . 2 $sample_rdc isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18601 1 8 '2D 1H-15N HSQC - edited' no . . . . . . . . . . 2 $sample_rdc isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18601 1 9 '3D HNCO - edited' no . . . . . . . . . . 2 $sample_rdc isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18601 1 10 '3D HNCO - edited' no . . . . . . . . . . 2 $sample_rdc isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18601 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 18601 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details '13C chemical shifts referenced to Bruker standars. For IUPAC values substract 2.56 ppm' 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 H 1 water protons . . . . ppm 4.706 internal direct 1.0 . . . . . . . . . 18601 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18601 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 18601 _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' . . . 18601 1 2 '3D HNCO - edited' . . . 18601 1 3 '3D HNCA - edited' . . . 18601 1 4 '3D HN(coca)CB - edited' . . . 18601 1 5 '3D HN(CO)CA - edited' . . . 18601 1 6 '3D HNCB - edited' . . . 18601 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 'all 13C' 13 +2.57 . 18601 1 'TROSY offset' . . . . 18601 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 3 3 ASP H H 1 8.090 . . 1 . . . X 2 ASP H . 18601 1 2 . 1 1 3 3 ASP CA C 13 54.132 . . 1 . . . X 2 ASP CA . 18601 1 3 . 1 1 3 3 ASP CB C 13 40.928 . . 1 . . . X 2 ASP CB . 18601 1 4 . 1 1 3 3 ASP N N 15 120.034 . . 1 . . . X 2 ASP N . 18601 1 5 . 1 1 4 4 THR H H 1 8.354 . . 1 . . . X 3 THR H . 18601 1 6 . 1 1 4 4 THR CA C 13 62.157 . . 1 . . . X 3 THR CA . 18601 1 7 . 1 1 4 4 THR CB C 13 68.018 . . 1 . . . X 3 THR CB . 18601 1 8 . 1 1 4 4 THR N N 15 119.824 . . 1 . . . X 3 THR N . 18601 1 9 . 1 1 5 5 ARG H H 1 8.383 . . 1 . . . X 4 ARG H . 18601 1 10 . 1 1 5 5 ARG CA C 13 54.768 . . 1 . . . X 4 ARG CA . 18601 1 11 . 1 1 5 5 ARG CB C 13 31.111 . . 1 . . . X 4 ARG CB . 18601 1 12 . 1 1 5 5 ARG N N 15 128.286 . . 1 . . . X 4 ARG N . 18601 1 13 . 1 1 6 6 ILE H H 1 8.491 . . 1 . . . X 5 ILE H . 18601 1 14 . 1 1 6 6 ILE CA C 13 59.619 . . 1 . . . X 5 ILE CA . 18601 1 15 . 1 1 6 6 ILE CB C 13 40.208 . . 1 . . . X 5 ILE CB . 18601 1 16 . 1 1 6 6 ILE N N 15 124.749 . . 1 . . . X 5 ILE N . 18601 1 17 . 1 1 7 7 GLY H H 1 8.329 . . 1 . . . X 6 GLY H . 18601 1 18 . 1 1 7 7 GLY CA C 13 45.485 . . 1 . . . X 6 GLY CA . 18601 1 19 . 1 1 7 7 GLY N N 15 113.579 . . 1 . . . X 6 GLY N . 18601 1 20 . 1 1 8 8 VAL H H 1 8.995 . . 1 . . . X 7 VAL H . 18601 1 21 . 1 1 8 8 VAL CA C 13 59.274 . . 1 . . . X 7 VAL CA . 18601 1 22 . 1 1 8 8 VAL CB C 13 34.594 . . 1 . . . X 7 VAL CB . 18601 1 23 . 1 1 8 8 VAL N N 15 126.223 . . 1 . . . X 7 VAL N . 18601 1 24 . 1 1 9 9 THR H H 1 8.558 . . 1 . . . X 8 THR H . 18601 1 25 . 1 1 9 9 THR CA C 13 58.284 . . 1 . . . X 8 THR CA . 18601 1 26 . 1 1 9 9 THR CB C 13 69.158 . . 1 . . . X 8 THR CB . 18601 1 27 . 1 1 9 9 THR N N 15 116.837 . . 1 . . . X 8 THR N . 18601 1 28 . 1 1 10 10 ILE H H 1 8.542 . . 1 . . . X 9 ILE H . 18601 1 29 . 1 1 10 10 ILE CA C 13 57.697 . . 1 . . . X 9 ILE CA . 18601 1 30 . 1 1 10 10 ILE CB C 13 36.819 . . 1 . . . X 9 ILE CB . 18601 1 31 . 1 1 10 10 ILE N N 15 126.025 . . 1 . . . X 9 ILE N . 18601 1 32 . 1 1 11 11 TYR H H 1 9.621 . . 1 . . . X 10 TYR H . 18601 1 33 . 1 1 11 11 TYR CA C 13 61.171 . . 1 . . . X 10 TYR CA . 18601 1 34 . 1 1 11 11 TYR CB C 13 35.205 . . 1 . . . X 10 TYR CB . 18601 1 35 . 1 1 11 11 TYR N N 15 130.499 . . 1 . . . X 10 TYR N . 18601 1 36 . 1 1 12 12 LYS H H 1 5.514 . . 1 . . . X 11 LYS H . 18601 1 37 . 1 1 12 12 LYS CA C 13 55.156 . . 1 . . . X 11 LYS CA . 18601 1 38 . 1 1 12 12 LYS CB C 13 33.119 . . 1 . . . X 11 LYS CB . 18601 1 39 . 1 1 12 12 LYS N N 15 117.224 . . 1 . . . X 11 LYS N . 18601 1 40 . 1 1 13 13 TYR H H 1 8.445 . . 1 . . . X 12 TYR H . 18601 1 41 . 1 1 13 13 TYR CA C 13 57.511 . . 1 . . . X 12 TYR CA . 18601 1 42 . 1 1 13 13 TYR CB C 13 36.296 . . 1 . . . X 12 TYR CB . 18601 1 43 . 1 1 13 13 TYR N N 15 127.127 . . 1 . . . X 12 TYR N . 18601 1 44 . 1 1 14 14 ASP H H 1 8.076 . . 1 . . . X 13 ASP H . 18601 1 45 . 1 1 14 14 ASP CA C 13 53.016 . . 1 . . . X 13 ASP CA . 18601 1 46 . 1 1 14 14 ASP CB C 13 38.313 . . 1 . . . X 13 ASP CB . 18601 1 47 . 1 1 14 14 ASP N N 15 115.011 . . 1 . . . X 13 ASP N . 18601 1 48 . 1 1 15 15 ASP H H 1 6.975 . . 1 . . . X 14 ASP H . 18601 1 49 . 1 1 15 15 ASP CA C 13 53.638 . . 1 . . . X 14 ASP CA . 18601 1 50 . 1 1 15 15 ASP CB C 13 43.771 . . 1 . . . X 14 ASP CB . 18601 1 51 . 1 1 15 15 ASP N N 15 122.351 . . 1 . . . X 14 ASP N . 18601 1 52 . 1 1 17 17 PHE H H 1 8.330 . . 1 . . . X 16 PHE H . 18601 1 53 . 1 1 17 17 PHE CA C 13 61.080 . . 1 . . . X 16 PHE CA . 18601 1 54 . 1 1 17 17 PHE CB C 13 39.104 . . 1 . . . X 16 PHE CB . 18601 1 55 . 1 1 17 17 PHE N N 15 122.762 . . 1 . . . X 16 PHE N . 18601 1 56 . 1 1 18 18 MET H H 1 9.265 . . 1 . . . X 17 MET H . 18601 1 57 . 1 1 18 18 MET CA C 13 54.879 . . 1 . . . X 17 MET CA . 18601 1 58 . 1 1 18 18 MET CB C 13 53.258 . . 1 . . . X 17 MET CB . 18601 1 59 . 1 1 18 18 MET N N 15 117.041 . . 1 . . . X 17 MET N . 18601 1 60 . 1 1 19 19 SER H H 1 8.577 . . 1 . . . X 18 SER H . 18601 1 61 . 1 1 19 19 SER CA C 13 61.287 . . 1 . . . X 18 SER CA . 18601 1 62 . 1 1 19 19 SER CB C 13 62.025 . . 1 . . . X 18 SER CB . 18601 1 63 . 1 1 19 19 SER N N 15 117.859 . . 1 . . . X 18 SER N . 18601 1 64 . 1 1 20 20 VAL H H 1 7.017 . . 1 . . . X 19 VAL H . 18601 1 65 . 1 1 20 20 VAL CA C 13 65.376 . . 1 . . . X 19 VAL CA . 18601 1 66 . 1 1 20 20 VAL CB C 13 30.118 . . 1 . . . X 19 VAL CB . 18601 1 67 . 1 1 20 20 VAL N N 15 123.957 . . 1 . . . X 19 VAL N . 18601 1 68 . 1 1 21 21 VAL H H 1 7.407 . . 1 . . . X 20 VAL H . 18601 1 69 . 1 1 21 21 VAL CA C 13 65.856 . . 1 . . . X 20 VAL CA . 18601 1 70 . 1 1 21 21 VAL CB C 13 30.958 . . 1 . . . X 20 VAL CB . 18601 1 71 . 1 1 21 21 VAL N N 15 120.701 . . 1 . . . X 20 VAL N . 18601 1 72 . 1 1 22 22 ARG H H 1 8.777 . . 1 . . . X 21 ARG H . 18601 1 73 . 1 1 22 22 ARG CA C 13 59.316 . . 1 . . . X 21 ARG CA . 18601 1 74 . 1 1 22 22 ARG CB C 13 53.751 . . 1 . . . X 21 ARG CB . 18601 1 75 . 1 1 22 22 ARG N N 15 119.102 . . 1 . . . X 21 ARG N . 18601 1 76 . 1 1 23 23 LYS H H 1 7.183 . . 1 . . . X 22 LYS H . 18601 1 77 . 1 1 23 23 LYS CA C 13 58.479 . . 1 . . . X 22 LYS CA . 18601 1 78 . 1 1 23 23 LYS CB C 13 31.023 . . 1 . . . X 22 LYS CB . 18601 1 79 . 1 1 23 23 LYS N N 15 119.083 . . 1 . . . X 22 LYS N . 18601 1 80 . 1 1 24 24 ALA H H 1 7.702 . . 1 . . . X 23 ALA H . 18601 1 81 . 1 1 24 24 ALA CA C 13 54.429 . . 1 . . . X 23 ALA CA . 18601 1 82 . 1 1 24 24 ALA CB C 13 17.074 . . 1 . . . X 23 ALA CB . 18601 1 83 . 1 1 24 24 ALA N N 15 123.381 . . 1 . . . X 23 ALA N . 18601 1 84 . 1 1 25 25 ILE H H 1 8.296 . . 1 . . . X 24 ILE H . 18601 1 85 . 1 1 25 25 ILE CA C 13 65.502 . . 1 . . . X 24 ILE CA . 18601 1 86 . 1 1 25 25 ILE CB C 13 36.606 . . 1 . . . X 24 ILE CB . 18601 1 87 . 1 1 25 25 ILE N N 15 120.708 . . 1 . . . X 24 ILE N . 18601 1 88 . 1 1 26 26 GLU H H 1 7.652 . . 1 . . . X 25 GLU H . 18601 1 89 . 1 1 26 26 GLU CA C 13 59.339 . . 1 . . . X 25 GLU CA . 18601 1 90 . 1 1 26 26 GLU CB C 13 53.912 . . 1 . . . X 25 GLU CB . 18601 1 91 . 1 1 26 26 GLU N N 15 118.439 . . 1 . . . X 25 GLU N . 18601 1 92 . 1 1 27 27 GLN H H 1 7.720 . . 1 . . . X 26 GLN H . 18601 1 93 . 1 1 27 27 GLN CA C 13 57.971 . . 1 . . . X 26 GLN CA . 18601 1 94 . 1 1 27 27 GLN CB C 13 52.565 . . 1 . . . X 26 GLN CB . 18601 1 95 . 1 1 27 27 GLN N N 15 119.480 . . 1 . . . X 26 GLN N . 18601 1 96 . 1 1 28 28 ASP H H 1 8.137 . . 1 . . . X 27 ASP H . 18601 1 97 . 1 1 28 28 ASP CA C 13 56.272 . . 1 . . . X 27 ASP CA . 18601 1 98 . 1 1 28 28 ASP CB C 13 37.523 . . 1 . . . X 27 ASP CB . 18601 1 99 . 1 1 28 28 ASP N N 15 123.338 . . 1 . . . X 27 ASP N . 18601 1 100 . 1 1 29 29 ALA H H 1 7.758 . . 1 . . . X 28 ALA H . 18601 1 101 . 1 1 29 29 ALA CA C 13 53.765 . . 1 . . . X 28 ALA CA . 18601 1 102 . 1 1 29 29 ALA CB C 13 17.639 . . 1 . . . X 28 ALA CB . 18601 1 103 . 1 1 29 29 ALA N N 15 121.332 . . 1 . . . X 28 ALA N . 18601 1 104 . 1 1 30 30 LYS H H 1 7.344 . . 1 . . . X 29 LYS H . 18601 1 105 . 1 1 30 30 LYS CA C 13 57.810 . . 1 . . . X 29 LYS CA . 18601 1 106 . 1 1 30 30 LYS CB C 13 30.888 . . 1 . . . X 29 LYS CB . 18601 1 107 . 1 1 30 30 LYS N N 15 118.680 . . 1 . . . X 29 LYS N . 18601 1 108 . 1 1 31 31 ALA H H 1 6.963 . . 1 . . . X 30 ALA H . 18601 1 109 . 1 1 31 31 ALA CA C 13 51.559 . . 1 . . . X 30 ALA CA . 18601 1 110 . 1 1 31 31 ALA CB C 13 17.887 . . 1 . . . X 30 ALA CB . 18601 1 111 . 1 1 31 31 ALA N N 15 119.475 . . 1 . . . X 30 ALA N . 18601 1 112 . 1 1 32 32 ALA H H 1 7.487 . . 1 . . . X 31 ALA H . 18601 1 113 . 1 1 32 32 ALA CA C 13 48.546 . . 1 . . . X 31 ALA CA . 18601 1 114 . 1 1 32 32 ALA CB C 13 18.318 . . 1 . . . X 31 ALA CB . 18601 1 115 . 1 1 32 32 ALA N N 15 124.812 . . 1 . . . X 31 ALA N . 18601 1 116 . 1 1 34 34 ASP H H 1 8.763 . . 1 . . . X 33 ASP H . 18601 1 117 . 1 1 34 34 ASP CA C 13 53.957 . . 1 . . . X 33 ASP CA . 18601 1 118 . 1 1 34 34 ASP CB C 13 39.325 . . 1 . . . X 33 ASP CB . 18601 1 119 . 1 1 34 34 ASP N N 15 116.463 . . 1 . . . X 33 ASP N . 18601 1 120 . 1 1 35 35 VAL H H 1 7.845 . . 1 . . . X 34 VAL H . 18601 1 121 . 1 1 35 35 VAL CA C 13 60.442 . . 1 . . . X 34 VAL CA . 18601 1 122 . 1 1 35 35 VAL CB C 13 32.630 . . 1 . . . X 34 VAL CB . 18601 1 123 . 1 1 35 35 VAL N N 15 119.792 . . 1 . . . X 34 VAL N . 18601 1 124 . 1 1 36 36 GLN H H 1 8.354 . . 1 . . . X 35 GLN H . 18601 1 125 . 1 1 36 36 GLN CA C 13 53.879 . . 1 . . . X 35 GLN CA . 18601 1 126 . 1 1 36 36 GLN CB C 13 30.006 . . 1 . . . X 35 GLN CB . 18601 1 127 . 1 1 36 36 GLN N N 15 128.048 . . 1 . . . X 35 GLN N . 18601 1 128 . 1 1 37 37 LEU H H 1 8.760 . . 1 . . . X 36 LEU H . 18601 1 129 . 1 1 37 37 LEU CA C 13 53.282 . . 1 . . . X 36 LEU CA . 18601 1 130 . 1 1 37 37 LEU CB C 13 42.432 . . 1 . . . X 36 LEU CB . 18601 1 131 . 1 1 37 37 LEU N N 15 128.039 . . 1 . . . X 36 LEU N . 18601 1 132 . 1 1 38 38 LEU H H 1 8.624 . . 1 . . . X 37 LEU H . 18601 1 133 . 1 1 38 38 LEU CA C 13 53.950 . . 1 . . . X 37 LEU CA . 18601 1 134 . 1 1 38 38 LEU CB C 13 40.904 . . 1 . . . X 37 LEU CB . 18601 1 135 . 1 1 38 38 LEU N N 15 129.706 . . 1 . . . X 37 LEU N . 18601 1 136 . 1 1 39 39 MET H H 1 8.317 . . 1 . . . X 38 MET H . 18601 1 137 . 1 1 39 39 MET CA C 13 54.003 . . 1 . . . X 38 MET CA . 18601 1 138 . 1 1 39 39 MET CB C 13 33.232 . . 1 . . . X 38 MET CB . 18601 1 139 . 1 1 39 39 MET N N 15 124.442 . . 1 . . . X 38 MET N . 18601 1 140 . 1 1 40 40 ASN H H 1 8.000 . . 1 . . . X 39 ASN H . 18601 1 141 . 1 1 40 40 ASN CA C 13 52.724 . . 1 . . . X 39 ASN CA . 18601 1 142 . 1 1 40 40 ASN CB C 13 42.864 . . 1 . . . X 39 ASN CB . 18601 1 143 . 1 1 40 40 ASN N N 15 121.649 . . 1 . . . X 39 ASN N . 18601 1 144 . 1 1 41 41 ASP H H 1 8.250 . . 1 . . . X 40 ASP H . 18601 1 145 . 1 1 41 41 ASP CA C 13 52.263 . . 1 . . . X 40 ASP CA . 18601 1 146 . 1 1 41 41 ASP CB C 13 39.551 . . 1 . . . X 40 ASP CB . 18601 1 147 . 1 1 41 41 ASP N N 15 121.948 . . 1 . . . X 40 ASP N . 18601 1 148 . 1 1 42 42 SER H H 1 9.000 . . 1 . . . X 41 SER H . 18601 1 149 . 1 1 42 42 SER CA C 13 58.843 . . 1 . . . X 41 SER CA . 18601 1 150 . 1 1 42 42 SER CB C 13 62.248 . . 1 . . . X 41 SER CB . 18601 1 151 . 1 1 42 42 SER N N 15 124.814 . . 1 . . . X 41 SER N . 18601 1 152 . 1 1 43 43 GLN H H 1 8.547 . . 1 . . . X 42 GLN H . 18601 1 153 . 1 1 43 43 GLN CA C 13 56.399 . . 1 . . . X 42 GLN CA . 18601 1 154 . 1 1 43 43 GLN CB C 13 51.213 . . 1 . . . X 42 GLN CB . 18601 1 155 . 1 1 43 43 GLN N N 15 115.374 . . 1 . . . X 42 GLN N . 18601 1 156 . 1 1 44 44 ASN H H 1 9.787 . . 1 . . . X 43 ASN H . 18601 1 157 . 1 1 44 44 ASN CA C 13 52.425 . . 1 . . . X 43 ASN CA . 18601 1 158 . 1 1 44 44 ASN CB C 13 39.079 . . 1 . . . X 43 ASN CB . 18601 1 159 . 1 1 44 44 ASN N N 15 115.122 . . 1 . . . X 43 ASN N . 18601 1 160 . 1 1 45 45 ASP H H 1 7.409 . . 1 . . . X 44 ASP H . 18601 1 161 . 1 1 45 45 ASP CA C 13 52.421 . . 1 . . . X 44 ASP CA . 18601 1 162 . 1 1 45 45 ASP CB C 13 42.462 . . 1 . . . X 44 ASP CB . 18601 1 163 . 1 1 45 45 ASP N N 15 119.354 . . 1 . . . X 44 ASP N . 18601 1 164 . 1 1 46 46 GLN H H 1 9.400 . . 1 . . . X 45 GLN H . 18601 1 165 . 1 1 46 46 GLN CA C 13 57.112 . . 1 . . . X 45 GLN CA . 18601 1 166 . 1 1 46 46 GLN CB C 13 53.284 . . 1 . . . X 45 GLN CB . 18601 1 167 . 1 1 46 46 GLN N N 15 128.990 . . 1 . . . X 45 GLN N . 18601 1 168 . 1 1 50 50 ASN H H 1 8.710 . . 1 . . . X 49 ASN H . 18601 1 169 . 1 1 50 50 ASN CA C 13 55.626 . . 1 . . . X 49 ASN CA . 18601 1 170 . 1 1 50 50 ASN CB C 13 36.029 . . 1 . . . X 49 ASN CB . 18601 1 171 . 1 1 50 50 ASN N N 15 120.760 . . 1 . . . X 49 ASN N . 18601 1 172 . 1 1 51 51 ASP H H 1 7.462 . . 1 . . . X 50 ASP H . 18601 1 173 . 1 1 51 51 ASP CA C 13 56.895 . . 1 . . . X 50 ASP CA . 18601 1 174 . 1 1 51 51 ASP CB C 13 39.558 . . 1 . . . X 50 ASP CB . 18601 1 175 . 1 1 51 51 ASP N N 15 121.526 . . 1 . . . X 50 ASP N . 18601 1 176 . 1 1 52 52 GLN H H 1 8.400 . . 1 . . . X 51 GLN H . 18601 1 177 . 1 1 52 52 GLN CA C 13 58.201 . . 1 . . . X 51 GLN CA . 18601 1 178 . 1 1 52 52 GLN CB C 13 51.234 . . 1 . . . X 51 GLN CB . 18601 1 179 . 1 1 52 52 GLN N N 15 120.990 . . 1 . . . X 51 GLN N . 18601 1 180 . 1 1 53 53 ILE H H 1 8.493 . . 1 . . . X 52 ILE H . 18601 1 181 . 1 1 53 53 ILE CA C 13 65.312 . . 1 . . . X 52 ILE CA . 18601 1 182 . 1 1 53 53 ILE CB C 13 36.268 . . 1 . . . X 52 ILE CB . 18601 1 183 . 1 1 53 53 ILE N N 15 122.039 . . 1 . . . X 52 ILE N . 18601 1 184 . 1 1 54 54 ASP H H 1 7.640 . . 1 . . . X 53 ASP H . 18601 1 185 . 1 1 54 54 ASP CA C 13 57.686 . . 1 . . . X 53 ASP CA . 18601 1 186 . 1 1 54 54 ASP CB C 13 38.910 . . 1 . . . X 53 ASP CB . 18601 1 187 . 1 1 54 54 ASP N N 15 121.525 . . 1 . . . X 53 ASP N . 18601 1 188 . 1 1 55 55 VAL H H 1 7.717 . . 1 . . . X 54 VAL H . 18601 1 189 . 1 1 55 55 VAL CA C 13 65.976 . . 1 . . . X 54 VAL CA . 18601 1 190 . 1 1 55 55 VAL CB C 13 30.563 . . 1 . . . X 54 VAL CB . 18601 1 191 . 1 1 55 55 VAL N N 15 122.581 . . 1 . . . X 54 VAL N . 18601 1 192 . 1 1 56 56 LEU H H 1 8.187 . . 1 . . . X 55 LEU H . 18601 1 193 . 1 1 56 56 LEU CA C 13 57.642 . . 1 . . . X 55 LEU CA . 18601 1 194 . 1 1 56 56 LEU CB C 13 41.045 . . 1 . . . X 55 LEU CB . 18601 1 195 . 1 1 56 56 LEU N N 15 121.123 . . 1 . . . X 55 LEU N . 18601 1 196 . 1 1 57 57 LEU H H 1 8.463 . . 1 . . . X 56 LEU H . 18601 1 197 . 1 1 57 57 LEU CA C 13 57.398 . . 1 . . . X 56 LEU CA . 18601 1 198 . 1 1 57 57 LEU CB C 13 39.654 . . 1 . . . X 56 LEU CB . 18601 1 199 . 1 1 57 57 LEU N N 15 118.902 . . 1 . . . X 56 LEU N . 18601 1 200 . 1 1 58 58 ALA H H 1 7.838 . . 1 . . . X 57 ALA H . 18601 1 201 . 1 1 58 58 ALA CA C 13 53.908 . . 1 . . . X 57 ALA CA . 18601 1 202 . 1 1 58 58 ALA CB C 13 17.001 . . 1 . . . X 57 ALA CB . 18601 1 203 . 1 1 58 58 ALA N N 15 124.952 . . 1 . . . X 57 ALA N . 18601 1 204 . 1 1 59 59 LYS H H 1 7.826 . . 1 . . . X 58 LYS H . 18601 1 205 . 1 1 59 59 LYS CA C 13 56.107 . . 1 . . . X 58 LYS CA . 18601 1 206 . 1 1 59 59 LYS CB C 13 31.519 . . 1 . . . X 58 LYS CB . 18601 1 207 . 1 1 59 59 LYS N N 15 118.696 . . 1 . . . X 58 LYS N . 18601 1 208 . 1 1 60 60 GLY H H 1 7.778 . . 1 . . . X 59 GLY H . 18601 1 209 . 1 1 60 60 GLY CA C 13 45.988 . . 1 . . . X 59 GLY CA . 18601 1 210 . 1 1 60 60 GLY N N 15 107.874 . . 1 . . . X 59 GLY N . 18601 1 211 . 1 1 61 61 VAL H H 1 7.190 . . 1 . . . X 60 VAL H . 18601 1 212 . 1 1 61 61 VAL CA C 13 61.171 . . 1 . . . X 60 VAL CA . 18601 1 213 . 1 1 61 61 VAL CB C 13 31.444 . . 1 . . . X 60 VAL CB . 18601 1 214 . 1 1 61 61 VAL N N 15 112.482 . . 1 . . . X 60 VAL N . 18601 1 215 . 1 1 62 62 LYS H H 1 8.601 . . 1 . . . X 61 LYS H . 18601 1 216 . 1 1 62 62 LYS CA C 13 54.933 . . 1 . . . X 61 LYS CA . 18601 1 217 . 1 1 62 62 LYS CB C 13 33.216 . . 1 . . . X 61 LYS CB . 18601 1 218 . 1 1 62 62 LYS N N 15 118.969 . . 1 . . . X 61 LYS N . 18601 1 219 . 1 1 63 63 ALA H H 1 7.374 . . 1 . . . X 62 ALA H . 18601 1 220 . 1 1 63 63 ALA CA C 13 51.715 . . 1 . . . X 62 ALA CA . 18601 1 221 . 1 1 63 63 ALA CB C 13 21.886 . . 1 . . . X 62 ALA CB . 18601 1 222 . 1 1 63 63 ALA N N 15 114.822 . . 1 . . . X 62 ALA N . 18601 1 223 . 1 1 64 64 LEU H H 1 7.978 . . 1 . . . X 63 LEU H . 18601 1 224 . 1 1 64 64 LEU CA C 13 52.073 . . 1 . . . X 63 LEU CA . 18601 1 225 . 1 1 64 64 LEU CB C 13 44.699 . . 1 . . . X 63 LEU CB . 18601 1 226 . 1 1 64 64 LEU N N 15 120.938 . . 1 . . . X 63 LEU N . 18601 1 227 . 1 1 65 65 ALA H H 1 9.210 . . 1 . . . X 64 ALA H . 18601 1 228 . 1 1 65 65 ALA CA C 13 49.760 . . 1 . . . X 64 ALA CA . 18601 1 229 . 1 1 65 65 ALA CB C 13 18.056 . . 1 . . . X 64 ALA CB . 18601 1 230 . 1 1 65 65 ALA N N 15 126.711 . . 1 . . . X 64 ALA N . 18601 1 231 . 1 1 66 66 ILE H H 1 8.643 . . 1 . . . X 65 ILE H . 18601 1 232 . 1 1 66 66 ILE CA C 13 57.287 . . 1 . . . X 65 ILE CA . 18601 1 233 . 1 1 66 66 ILE CB C 13 38.687 . . 1 . . . X 65 ILE CB . 18601 1 234 . 1 1 66 66 ILE N N 15 123.981 . . 1 . . . X 65 ILE N . 18601 1 235 . 1 1 67 67 ASN H H 1 7.766 . . 1 . . . X 66 ASN H . 18601 1 236 . 1 1 67 67 ASN CA C 13 50.781 . . 1 . . . X 66 ASN CA . 18601 1 237 . 1 1 67 67 ASN CB C 13 38.958 . . 1 . . . X 66 ASN CB . 18601 1 238 . 1 1 67 67 ASN N N 15 106.855 . . 1 . . . X 66 ASN N . 18601 1 239 . 1 1 68 68 LEU H H 1 8.853 . . 1 . . . X 67 LEU H . 18601 1 240 . 1 1 68 68 LEU CA C 13 54.984 . . 1 . . . X 67 LEU CA . 18601 1 241 . 1 1 68 68 LEU CB C 13 42.003 . . 1 . . . X 67 LEU CB . 18601 1 242 . 1 1 68 68 LEU N N 15 126.181 . . 1 . . . X 67 LEU N . 18601 1 243 . 1 1 69 69 VAL H H 1 7.556 . . 1 . . . X 68 VAL H . 18601 1 244 . 1 1 69 69 VAL CA C 13 64.973 . . 1 . . . X 68 VAL CA . 18601 1 245 . 1 1 69 69 VAL CB C 13 30.165 . . 1 . . . X 68 VAL CB . 18601 1 246 . 1 1 69 69 VAL N N 15 119.119 . . 1 . . . X 68 VAL N . 18601 1 247 . 1 1 70 70 ASP H H 1 8.753 . . 1 . . . X 69 ASP H . 18601 1 248 . 1 1 70 70 ASP CA C 13 48.777 . . 1 . . . X 69 ASP CA . 18601 1 249 . 1 1 70 70 ASP CB C 13 42.150 . . 1 . . . X 69 ASP CB . 18601 1 250 . 1 1 70 70 ASP N N 15 120.283 . . 1 . . . X 69 ASP N . 18601 1 251 . 1 1 72 72 ALA H H 1 8.084 . . 1 . . . X 71 ALA H . 18601 1 252 . 1 1 72 72 ALA CA C 13 53.168 . . 1 . . . X 71 ALA CA . 18601 1 253 . 1 1 72 72 ALA CB C 13 17.206 . . 1 . . . X 71 ALA CB . 18601 1 254 . 1 1 72 72 ALA N N 15 120.668 . . 1 . . . X 71 ALA N . 18601 1 255 . 1 1 73 73 ALA H H 1 8.010 . . 1 . . . X 72 ALA H . 18601 1 256 . 1 1 73 73 ALA CA C 13 51.656 . . 1 . . . X 72 ALA CA . 18601 1 257 . 1 1 73 73 ALA CB C 13 17.682 . . 1 . . . X 72 ALA CB . 18601 1 258 . 1 1 73 73 ALA N N 15 121.586 . . 1 . . . X 72 ALA N . 18601 1 259 . 1 1 74 74 ALA H H 1 7.196 . . 1 . . . X 73 ALA H . 18601 1 260 . 1 1 74 74 ALA CA C 13 55.433 . . 1 . . . X 73 ALA CA . 18601 1 261 . 1 1 74 74 ALA CB C 13 17.991 . . 1 . . . X 73 ALA CB . 18601 1 262 . 1 1 74 74 ALA N N 15 121.455 . . 1 . . . X 73 ALA N . 18601 1 263 . 1 1 75 75 GLY H H 1 8.328 . . 1 . . . X 74 GLY H . 18601 1 264 . 1 1 75 75 GLY CA C 13 46.566 . . 1 . . . X 74 GLY CA . 18601 1 265 . 1 1 75 75 GLY N N 15 130.654 . . 1 . . . X 74 GLY N . 18601 1 266 . 1 1 76 76 THR H H 1 7.638 . . 1 . . . X 75 THR H . 18601 1 267 . 1 1 76 76 THR CA C 13 65.614 . . 1 . . . X 75 THR CA . 18601 1 268 . 1 1 76 76 THR CB C 13 68.125 . . 1 . . . X 75 THR CB . 18601 1 269 . 1 1 76 76 THR N N 15 120.844 . . 1 . . . X 75 THR N . 18601 1 270 . 1 1 77 77 VAL H H 1 7.601 . . 1 . . . X 76 VAL H . 18601 1 271 . 1 1 77 77 VAL CA C 13 66.861 . . 1 . . . X 76 VAL CA . 18601 1 272 . 1 1 77 77 VAL CB C 13 30.446 . . 1 . . . X 76 VAL CB . 18601 1 273 . 1 1 77 77 VAL N N 15 122.031 . . 1 . . . X 76 VAL N . 18601 1 274 . 1 1 78 78 ILE H H 1 8.560 . . 1 . . . X 77 ILE H . 18601 1 275 . 1 1 78 78 ILE CA C 13 65.526 . . 1 . . . X 77 ILE CA . 18601 1 276 . 1 1 78 78 ILE CB C 13 36.495 . . 1 . . . X 77 ILE CB . 18601 1 277 . 1 1 78 78 ILE N N 15 120.560 . . 1 . . . X 77 ILE N . 18601 1 278 . 1 1 79 79 GLU H H 1 7.962 . . 1 . . . X 78 GLU H . 18601 1 279 . 1 1 79 79 GLU CA C 13 58.247 . . 1 . . . X 78 GLU CA . 18601 1 280 . 1 1 79 79 GLU CB C 13 52.753 . . 1 . . . X 78 GLU CB . 18601 1 281 . 1 1 79 79 GLU N N 15 118.173 . . 1 . . . X 78 GLU N . 18601 1 282 . 1 1 80 80 LYS H H 1 7.331 . . 1 . . . X 79 LYS H . 18601 1 283 . 1 1 80 80 LYS CA C 13 58.764 . . 1 . . . X 79 LYS CA . 18601 1 284 . 1 1 80 80 LYS CB C 13 32.123 . . 1 . . . X 79 LYS CB . 18601 1 285 . 1 1 80 80 LYS N N 15 119.601 . . 1 . . . X 79 LYS N . 18601 1 286 . 1 1 81 81 ALA H H 1 7.830 . . 1 . . . X 80 ALA H . 18601 1 287 . 1 1 81 81 ALA CA C 13 54.786 . . 1 . . . X 80 ALA CA . 18601 1 288 . 1 1 81 81 ALA CB C 13 17.222 . . 1 . . . X 80 ALA CB . 18601 1 289 . 1 1 81 81 ALA N N 15 122.507 . . 1 . . . X 80 ALA N . 18601 1 290 . 1 1 82 82 ARG H H 1 8.908 . . 1 . . . X 81 ARG H . 18601 1 291 . 1 1 82 82 ARG CA C 13 58.217 . . 1 . . . X 81 ARG CA . 18601 1 292 . 1 1 82 82 ARG CB C 13 54.315 . . 1 . . . X 81 ARG CB . 18601 1 293 . 1 1 82 82 ARG N N 15 120.091 . . 1 . . . X 81 ARG N . 18601 1 294 . 1 1 83 83 GLY H H 1 7.514 . . 1 . . . X 82 GLY H . 18601 1 295 . 1 1 83 83 GLY CA C 13 46.237 . . 1 . . . X 82 GLY CA . 18601 1 296 . 1 1 83 83 GLY N N 15 106.784 . . 1 . . . X 82 GLY N . 18601 1 297 . 1 1 84 84 GLN H H 1 7.093 . . 1 . . . X 83 GLN H . 18601 1 298 . 1 1 84 84 GLN CA C 13 53.659 . . 1 . . . X 83 GLN CA . 18601 1 299 . 1 1 84 84 GLN CB C 13 54.604 . . 1 . . . X 83 GLN CB . 18601 1 300 . 1 1 84 84 GLN N N 15 116.979 . . 1 . . . X 83 GLN N . 18601 1 301 . 1 1 88 88 VAL H H 1 8.577 . . 1 . . . X 87 VAL H . 18601 1 302 . 1 1 88 88 VAL CA C 13 58.909 . . 1 . . . X 87 VAL CA . 18601 1 303 . 1 1 88 88 VAL CB C 13 34.576 . . 1 . . . X 87 VAL CB . 18601 1 304 . 1 1 88 88 VAL N N 15 119.260 . . 1 . . . X 87 VAL N . 18601 1 305 . 1 1 89 89 VAL H H 1 9.030 . . 1 . . . X 88 VAL H . 18601 1 306 . 1 1 89 89 VAL CA C 13 59.868 . . 1 . . . X 88 VAL CA . 18601 1 307 . 1 1 89 89 VAL CB C 13 31.506 . . 1 . . . X 88 VAL CB . 18601 1 308 . 1 1 89 89 VAL N N 15 127.792 . . 1 . . . X 88 VAL N . 18601 1 309 . 1 1 90 90 PHE H H 1 9.391 . . 1 . . . X 89 PHE H . 18601 1 310 . 1 1 90 90 PHE CA C 13 57.708 . . 1 . . . X 89 PHE CA . 18601 1 311 . 1 1 90 90 PHE CB C 13 40.248 . . 1 . . . X 89 PHE CB . 18601 1 312 . 1 1 90 90 PHE N N 15 128.098 . . 1 . . . X 89 PHE N . 18601 1 313 . 1 1 91 91 PHE H H 1 8.659 . . 1 . . . X 90 PHE H . 18601 1 314 . 1 1 91 91 PHE CA C 13 55.483 . . 1 . . . X 90 PHE CA . 18601 1 315 . 1 1 91 91 PHE CB C 13 40.834 . . 1 . . . X 90 PHE CB . 18601 1 316 . 1 1 91 91 PHE N N 15 116.237 . . 1 . . . X 90 PHE N . 18601 1 317 . 1 1 92 92 ASN H H 1 8.718 . . 1 . . . X 91 ASN H . 18601 1 318 . 1 1 92 92 ASN CA C 13 59.670 . . 1 . . . X 91 ASN CA . 18601 1 319 . 1 1 92 92 ASN CB C 13 39.682 . . 1 . . . X 91 ASN CB . 18601 1 320 . 1 1 92 92 ASN N N 15 122.547 . . 1 . . . X 91 ASN N . 18601 1 321 . 1 1 93 93 LYS H H 1 7.937 . . 1 . . . X 92 LYS H . 18601 1 322 . 1 1 93 93 LYS CA C 13 54.667 . . 1 . . . X 92 LYS CA . 18601 1 323 . 1 1 93 93 LYS CB C 13 31.986 . . 1 . . . X 92 LYS CB . 18601 1 324 . 1 1 93 93 LYS N N 15 122.986 . . 1 . . . X 92 LYS N . 18601 1 325 . 1 1 94 94 GLU H H 1 8.374 . . 1 . . . X 93 GLU H . 18601 1 326 . 1 1 94 94 GLU CA C 13 60.232 . . 1 . . . X 93 GLU CA . 18601 1 327 . 1 1 94 94 GLU CB C 13 29.989 . . 1 . . . X 93 GLU CB . 18601 1 328 . 1 1 94 94 GLU N N 15 131.157 . . 1 . . . X 93 GLU N . 18601 1 329 . 1 1 96 96 SER H H 1 8.085 . . 1 . . . X 95 SER H . 18601 1 330 . 1 1 96 96 SER CA C 13 57.069 . . 1 . . . X 95 SER CA . 18601 1 331 . 1 1 96 96 SER CB C 13 63.174 . . 1 . . . X 95 SER CB . 18601 1 332 . 1 1 96 96 SER N N 15 114.953 . . 1 . . . X 95 SER N . 18601 1 333 . 1 1 97 97 ARG H H 1 8.386 . . 1 . . . X 96 ARG H . 18601 1 334 . 1 1 97 97 ARG CA C 13 57.191 . . 1 . . . X 96 ARG CA . 18601 1 335 . 1 1 97 97 ARG CB C 13 54.413 . . 1 . . . X 96 ARG CB . 18601 1 336 . 1 1 97 97 ARG N N 15 125.577 . . 1 . . . X 96 ARG N . 18601 1 337 . 1 1 98 98 LYS H H 1 7.841 . . 1 . . . X 97 LYS H . 18601 1 338 . 1 1 98 98 LYS CA C 13 58.394 . . 1 . . . X 97 LYS CA . 18601 1 339 . 1 1 98 98 LYS CB C 13 31.054 . . 1 . . . X 97 LYS CB . 18601 1 340 . 1 1 98 98 LYS N N 15 117.809 . . 1 . . . X 97 LYS N . 18601 1 341 . 1 1 99 99 ALA H H 1 7.478 . . 1 . . . X 98 ALA H . 18601 1 342 . 1 1 99 99 ALA CA C 13 54.139 . . 1 . . . X 98 ALA CA . 18601 1 343 . 1 1 99 99 ALA CB C 13 16.534 . . 1 . . . X 98 ALA CB . 18601 1 344 . 1 1 99 99 ALA N N 15 121.687 . . 1 . . . X 98 ALA N . 18601 1 345 . 1 1 100 100 LEU H H 1 7.783 . . 1 . . . X 99 LEU H . 18601 1 346 . 1 1 100 100 LEU CA C 13 57.712 . . 1 . . . X 99 LEU CA . 18601 1 347 . 1 1 100 100 LEU CB C 13 40.960 . . 1 . . . X 99 LEU CB . 18601 1 348 . 1 1 100 100 LEU N N 15 120.091 . . 1 . . . X 99 LEU N . 18601 1 349 . 1 1 101 101 ASP H H 1 8.296 . . 1 . . . X 100 ASP H . 18601 1 350 . 1 1 101 101 ASP CA C 13 55.343 . . 1 . . . X 100 ASP CA . 18601 1 351 . 1 1 101 101 ASP CB C 13 39.446 . . 1 . . . X 100 ASP CB . 18601 1 352 . 1 1 101 101 ASP N N 15 116.578 . . 1 . . . X 100 ASP N . 18601 1 353 . 1 1 102 102 SER H H 1 7.574 . . 1 . . . X 101 SER H . 18601 1 354 . 1 1 102 102 SER CA C 13 59.497 . . 1 . . . X 101 SER CA . 18601 1 355 . 1 1 102 102 SER CB C 13 63.549 . . 1 . . . X 101 SER CB . 18601 1 356 . 1 1 102 102 SER N N 15 115.626 . . 1 . . . X 101 SER N . 18601 1 357 . 1 1 103 103 TYR H H 1 7.091 . . 1 . . . X 102 TYR H . 18601 1 358 . 1 1 103 103 TYR CA C 13 53.164 . . 1 . . . X 102 TYR CA . 18601 1 359 . 1 1 103 103 TYR CB C 13 40.935 . . 1 . . . X 102 TYR CB . 18601 1 360 . 1 1 103 103 TYR N N 15 123.824 . . 1 . . . X 102 TYR N . 18601 1 361 . 1 1 105 105 LYS H H 1 5.061 . . 1 . . . X 104 LYS H . 18601 1 362 . 1 1 105 105 LYS CA C 13 53.693 . . 1 . . . X 104 LYS CA . 18601 1 363 . 1 1 105 105 LYS CB C 13 30.507 . . 1 . . . X 104 LYS CB . 18601 1 364 . 1 1 105 105 LYS N N 15 116.041 . . 1 . . . X 104 LYS N . 18601 1 365 . 1 1 106 106 ALA H H 1 6.572 . . 1 . . . X 105 ALA H . 18601 1 366 . 1 1 106 106 ALA CA C 13 49.860 . . 1 . . . X 105 ALA CA . 18601 1 367 . 1 1 106 106 ALA CB C 13 20.303 . . 1 . . . X 105 ALA CB . 18601 1 368 . 1 1 106 106 ALA N N 15 120.479 . . 1 . . . X 105 ALA N . 18601 1 369 . 1 1 107 107 TYR H H 1 8.660 . . 1 . . . X 106 TYR H . 18601 1 370 . 1 1 107 107 TYR CA C 13 56.255 . . 1 . . . X 106 TYR CA . 18601 1 371 . 1 1 107 107 TYR CB C 13 43.370 . . 1 . . . X 106 TYR CB . 18601 1 372 . 1 1 107 107 TYR N N 15 119.490 . . 1 . . . X 106 TYR N . 18601 1 373 . 1 1 108 108 TYR H H 1 8.968 . . 1 . . . X 107 TYR H . 18601 1 374 . 1 1 108 108 TYR CA C 13 56.448 . . 1 . . . X 107 TYR CA . 18601 1 375 . 1 1 108 108 TYR CB C 13 41.642 . . 1 . . . X 107 TYR CB . 18601 1 376 . 1 1 108 108 TYR N N 15 120.920 . . 1 . . . X 107 TYR N . 18601 1 377 . 1 1 109 109 VAL H H 1 7.889 . . 1 . . . X 108 VAL H . 18601 1 378 . 1 1 109 109 VAL CA C 13 59.834 . . 1 . . . X 108 VAL CA . 18601 1 379 . 1 1 109 109 VAL CB C 13 32.932 . . 1 . . . X 108 VAL CB . 18601 1 380 . 1 1 109 109 VAL N N 15 128.150 . . 1 . . . X 108 VAL N . 18601 1 381 . 1 1 110 110 GLY H H 1 7.883 . . 1 . . . X 109 GLY H . 18601 1 382 . 1 1 110 110 GLY CA C 13 44.596 . . 1 . . . X 109 GLY CA . 18601 1 383 . 1 1 110 110 GLY N N 15 112.425 . . 1 . . . X 109 GLY N . 18601 1 384 . 1 1 111 111 THR H H 1 8.457 . . 1 . . . X 110 THR H . 18601 1 385 . 1 1 111 111 THR CA C 13 59.613 . . 1 . . . X 110 THR CA . 18601 1 386 . 1 1 111 111 THR CB C 13 71.613 . . 1 . . . X 110 THR CB . 18601 1 387 . 1 1 111 111 THR N N 15 113.985 . . 1 . . . X 110 THR N . 18601 1 388 . 1 1 112 112 ASP H H 1 9.401 . . 1 . . . X 111 ASP H . 18601 1 389 . 1 1 112 112 ASP CA C 13 52.089 . . 1 . . . X 111 ASP CA . 18601 1 390 . 1 1 112 112 ASP CB C 13 41.570 . . 1 . . . X 111 ASP CB . 18601 1 391 . 1 1 112 112 ASP N N 15 124.075 . . 1 . . . X 111 ASP N . 18601 1 392 . 1 1 113 113 SER H H 1 8.829 . . 1 . . . X 112 SER H . 18601 1 393 . 1 1 113 113 SER CA C 13 61.367 . . 1 . . . X 112 SER CA . 18601 1 394 . 1 1 113 113 SER CB C 13 62.413 . . 1 . . . X 112 SER CB . 18601 1 395 . 1 1 113 113 SER N N 15 122.505 . . 1 . . . X 112 SER N . 18601 1 396 . 1 1 114 114 LYS H H 1 8.226 . . 1 . . . X 113 LYS H . 18601 1 397 . 1 1 114 114 LYS CA C 13 58.633 . . 1 . . . X 113 LYS CA . 18601 1 398 . 1 1 114 114 LYS CB C 13 30.090 . . 1 . . . X 113 LYS CB . 18601 1 399 . 1 1 114 114 LYS N N 15 121.748 . . 1 . . . X 113 LYS N . 18601 1 400 . 1 1 115 115 GLU H H 1 7.769 . . 1 . . . X 114 GLU H . 18601 1 401 . 1 1 115 115 GLU CA C 13 57.991 . . 1 . . . X 114 GLU CA . 18601 1 402 . 1 1 115 115 GLU CB C 13 54.108 . . 1 . . . X 114 GLU CB . 18601 1 403 . 1 1 115 115 GLU N N 15 118.894 . . 1 . . . X 114 GLU N . 18601 1 404 . 1 1 116 116 SER H H 1 7.051 . . 1 . . . X 115 SER H . 18601 1 405 . 1 1 116 116 SER CA C 13 61.560 . . 1 . . . X 115 SER CA . 18601 1 406 . 1 1 116 116 SER CB C 13 60.387 . . 1 . . . X 115 SER CB . 18601 1 407 . 1 1 116 116 SER N N 15 114.840 . . 1 . . . X 115 SER N . 18601 1 408 . 1 1 117 117 GLY H H 1 7.262 . . 1 . . . X 116 GLY H . 18601 1 409 . 1 1 117 117 GLY CA C 13 46.138 . . 1 . . . X 116 GLY CA . 18601 1 410 . 1 1 117 117 GLY N N 15 108.117 . . 1 . . . X 116 GLY N . 18601 1 411 . 1 1 118 118 ILE H H 1 7.294 . . 1 . . . X 117 ILE H . 18601 1 412 . 1 1 118 118 ILE CA C 13 64.781 . . 1 . . . X 117 ILE CA . 18601 1 413 . 1 1 118 118 ILE CB C 13 36.655 . . 1 . . . X 117 ILE CB . 18601 1 414 . 1 1 118 118 ILE N N 15 123.551 . . 1 . . . X 117 ILE N . 18601 1 415 . 1 1 119 119 ILE H H 1 8.280 . . 1 . . . X 118 ILE H . 18601 1 416 . 1 1 119 119 ILE CA C 13 61.539 . . 1 . . . X 118 ILE CA . 18601 1 417 . 1 1 119 119 ILE CB C 13 34.139 . . 1 . . . X 118 ILE CB . 18601 1 418 . 1 1 119 119 ILE N N 15 119.542 . . 1 . . . X 118 ILE N . 18601 1 419 . 1 1 120 120 GLN H H 1 7.697 . . 1 . . . X 119 GLN H . 18601 1 420 . 1 1 120 120 GLN CA C 13 59.344 . . 1 . . . X 119 GLN CA . 18601 1 421 . 1 1 120 120 GLN CB C 13 52.453 . . 1 . . . X 119 GLN CB . 18601 1 422 . 1 1 120 120 GLN N N 15 121.945 . . 1 . . . X 119 GLN N . 18601 1 423 . 1 1 121 121 GLY H H 1 8.420 . . 1 . . . X 120 GLY H . 18601 1 424 . 1 1 121 121 GLY CA C 13 46.945 . . 1 . . . X 120 GLY CA . 18601 1 425 . 1 1 121 121 GLY N N 15 108.371 . . 1 . . . X 120 GLY N . 18601 1 426 . 1 1 122 122 ASP H H 1 8.561 . . 1 . . . X 121 ASP H . 18601 1 427 . 1 1 122 122 ASP CA C 13 56.897 . . 1 . . . X 121 ASP CA . 18601 1 428 . 1 1 122 122 ASP CB C 13 39.041 . . 1 . . . X 121 ASP CB . 18601 1 429 . 1 1 122 122 ASP N N 15 123.967 . . 1 . . . X 121 ASP N . 18601 1 430 . 1 1 123 123 LEU H H 1 8.160 . . 1 . . . X 122 LEU H . 18601 1 431 . 1 1 123 123 LEU CA C 13 57.350 . . 1 . . . X 122 LEU CA . 18601 1 432 . 1 1 123 123 LEU CB C 13 41.936 . . 1 . . . X 122 LEU CB . 18601 1 433 . 1 1 123 123 LEU N N 15 125.202 . . 1 . . . X 122 LEU N . 18601 1 434 . 1 1 124 124 ILE H H 1 7.894 . . 1 . . . X 123 ILE H . 18601 1 435 . 1 1 124 124 ILE CA C 13 65.144 . . 1 . . . X 123 ILE CA . 18601 1 436 . 1 1 124 124 ILE CB C 13 35.622 . . 1 . . . X 123 ILE CB . 18601 1 437 . 1 1 124 124 ILE N N 15 120.302 . . 1 . . . X 123 ILE N . 18601 1 438 . 1 1 125 125 ALA H H 1 8.452 . . 1 . . . X 124 ALA H . 18601 1 439 . 1 1 125 125 ALA CA C 13 55.000 . . 1 . . . X 124 ALA CA . 18601 1 440 . 1 1 125 125 ALA CB C 13 17.154 . . 1 . . . X 124 ALA CB . 18601 1 441 . 1 1 125 125 ALA N N 15 121.956 . . 1 . . . X 124 ALA N . 18601 1 442 . 1 1 126 126 LYS H H 1 7.821 . . 1 . . . X 125 LYS H . 18601 1 443 . 1 1 126 126 LYS CA C 13 58.751 . . 1 . . . X 125 LYS CA . 18601 1 444 . 1 1 126 126 LYS CB C 13 31.468 . . 1 . . . X 125 LYS CB . 18601 1 445 . 1 1 126 126 LYS N N 15 120.363 . . 1 . . . X 125 LYS N . 18601 1 446 . 1 1 127 127 HIS H H 1 8.041 . . 1 . . . X 126 HIS H . 18601 1 447 . 1 1 127 127 HIS CA C 13 59.881 . . 1 . . . X 126 HIS CA . 18601 1 448 . 1 1 127 127 HIS CB C 13 31.754 . . 1 . . . X 126 HIS CB . 18601 1 449 . 1 1 127 127 HIS N N 15 119.926 . . 1 . . . X 126 HIS N . 18601 1 450 . 1 1 128 128 TRP H H 1 9.759 . . 1 . . . X 127 TRP H . 18601 1 451 . 1 1 128 128 TRP CA C 13 59.862 . . 1 . . . X 127 TRP CA . 18601 1 452 . 1 1 128 128 TRP CB C 13 54.331 . . 1 . . . X 127 TRP CB . 18601 1 453 . 1 1 128 128 TRP N N 15 124.485 . . 1 . . . X 127 TRP N . 18601 1 454 . 1 1 129 129 ALA H H 1 7.550 . . 1 . . . X 128 ALA H . 18601 1 455 . 1 1 129 129 ALA CA C 13 53.530 . . 1 . . . X 128 ALA CA . 18601 1 456 . 1 1 129 129 ALA CB C 13 17.292 . . 1 . . . X 128 ALA CB . 18601 1 457 . 1 1 129 129 ALA N N 15 118.097 . . 1 . . . X 128 ALA N . 18601 1 458 . 1 1 130 130 ALA H H 1 6.838 . . 1 . . . X 129 ALA H . 18601 1 459 . 1 1 130 130 ALA CA C 13 51.843 . . 1 . . . X 129 ALA CA . 18601 1 460 . 1 1 130 130 ALA CB C 13 18.815 . . 1 . . . X 129 ALA CB . 18601 1 461 . 1 1 130 130 ALA N N 15 117.292 . . 1 . . . X 129 ALA N . 18601 1 462 . 1 1 131 131 ASN H H 1 6.967 . . 1 . . . X 130 ASN H . 18601 1 463 . 1 1 131 131 ASN CA C 13 50.949 . . 1 . . . X 130 ASN CA . 18601 1 464 . 1 1 131 131 ASN CB C 13 36.990 . . 1 . . . X 130 ASN CB . 18601 1 465 . 1 1 131 131 ASN N N 15 120.043 . . 1 . . . X 130 ASN N . 18601 1 466 . 1 1 132 132 GLN H H 1 8.279 . . 1 . . . X 131 GLN H . 18601 1 467 . 1 1 132 132 GLN CA C 13 57.878 . . 1 . . . X 131 GLN CA . 18601 1 468 . 1 1 132 132 GLN CB C 13 52.464 . . 1 . . . X 131 GLN CB . 18601 1 469 . 1 1 132 132 GLN N N 15 123.019 . . 1 . . . X 131 GLN N . 18601 1 470 . 1 1 133 133 GLY H H 1 8.623 . . 1 . . . X 132 GLY H . 18601 1 471 . 1 1 133 133 GLY CA C 13 45.128 . . 1 . . . X 132 GLY CA . 18601 1 472 . 1 1 133 133 GLY N N 15 107.469 . . 1 . . . X 132 GLY N . 18601 1 473 . 1 1 134 134 TRP H H 1 7.702 . . 1 . . . X 133 TRP H . 18601 1 474 . 1 1 134 134 TRP CA C 13 55.726 . . 1 . . . X 133 TRP CA . 18601 1 475 . 1 1 134 134 TRP CB C 13 54.285 . . 1 . . . X 133 TRP CB . 18601 1 476 . 1 1 134 134 TRP N N 15 120.201 . . 1 . . . X 133 TRP N . 18601 1 477 . 1 1 135 135 ASP H H 1 6.925 . . 1 . . . X 134 ASP H . 18601 1 478 . 1 1 135 135 ASP CA C 13 51.606 . . 1 . . . X 134 ASP CA . 18601 1 479 . 1 1 135 135 ASP CB C 13 37.637 . . 1 . . . X 134 ASP CB . 18601 1 480 . 1 1 135 135 ASP N N 15 117.834 . . 1 . . . X 134 ASP N . 18601 1 481 . 1 1 136 136 LEU H H 1 7.909 . . 1 . . . X 135 LEU H . 18601 1 482 . 1 1 136 136 LEU CA C 13 57.418 . . 1 . . . X 135 LEU CA . 18601 1 483 . 1 1 136 136 LEU CB C 13 41.113 . . 1 . . . X 135 LEU CB . 18601 1 484 . 1 1 136 136 LEU N N 15 128.867 . . 1 . . . X 135 LEU N . 18601 1 485 . 1 1 137 137 ASN H H 1 8.171 . . 1 . . . X 136 ASN H . 18601 1 486 . 1 1 137 137 ASN CA C 13 51.044 . . 1 . . . X 136 ASN CA . 18601 1 487 . 1 1 137 137 ASN CB C 13 36.247 . . 1 . . . X 136 ASN CB . 18601 1 488 . 1 1 137 137 ASN N N 15 113.670 . . 1 . . . X 136 ASN N . 18601 1 489 . 1 1 138 138 LYS H H 1 7.795 . . 1 . . . X 137 LYS H . 18601 1 490 . 1 1 138 138 LYS CA C 13 56.948 . . 1 . . . X 137 LYS CA . 18601 1 491 . 1 1 138 138 LYS CB C 13 53.783 . . 1 . . . X 137 LYS CB . 18601 1 492 . 1 1 138 138 LYS N N 15 116.252 . . 1 . . . X 137 LYS N . 18601 1 493 . 1 1 139 139 ASP H H 1 7.863 . . 1 . . . X 138 ASP H . 18601 1 494 . 1 1 139 139 ASP CA C 13 52.455 . . 1 . . . X 138 ASP CA . 18601 1 495 . 1 1 139 139 ASP CB C 13 41.063 . . 1 . . . X 138 ASP CB . 18601 1 496 . 1 1 139 139 ASP N N 15 117.838 . . 1 . . . X 138 ASP N . 18601 1 497 . 1 1 140 140 GLY H H 1 10.879 . . 1 . . . X 139 GLY H . 18601 1 498 . 1 1 140 140 GLY CA C 13 45.557 . . 1 . . . X 139 GLY CA . 18601 1 499 . 1 1 140 140 GLY N N 15 115.983 . . 1 . . . X 139 GLY N . 18601 1 500 . 1 1 141 141 GLN H H 1 8.613 . . 1 . . . X 140 GLN H . 18601 1 501 . 1 1 141 141 GLN CA C 13 52.374 . . 1 . . . X 140 GLN CA . 18601 1 502 . 1 1 141 141 GLN CB C 13 30.934 . . 1 . . . X 140 GLN CB . 18601 1 503 . 1 1 141 141 GLN N N 15 120.282 . . 1 . . . X 140 GLN N . 18601 1 504 . 1 1 142 142 ILE H H 1 8.388 . . 1 . . . X 141 ILE H . 18601 1 505 . 1 1 142 142 ILE CA C 13 61.060 . . 1 . . . X 141 ILE CA . 18601 1 506 . 1 1 142 142 ILE CB C 13 37.348 . . 1 . . . X 141 ILE CB . 18601 1 507 . 1 1 142 142 ILE N N 15 124.641 . . 1 . . . X 141 ILE N . 18601 1 508 . 1 1 143 143 GLN H H 1 8.335 . . 1 . . . X 142 GLN H . 18601 1 509 . 1 1 143 143 GLN CA C 13 56.299 . . 1 . . . X 142 GLN CA . 18601 1 510 . 1 1 143 143 GLN CB C 13 51.957 . . 1 . . . X 142 GLN CB . 18601 1 511 . 1 1 143 143 GLN N N 15 107.461 . . 1 . . . X 142 GLN N . 18601 1 512 . 1 1 144 144 PHE H H 1 8.359 . . 1 . . . X 143 PHE H . 18601 1 513 . 1 1 144 144 PHE CA C 13 54.147 . . 1 . . . X 143 PHE CA . 18601 1 514 . 1 1 144 144 PHE CB C 13 42.316 . . 1 . . . X 143 PHE CB . 18601 1 515 . 1 1 144 144 PHE N N 15 122.955 . . 1 . . . X 143 PHE N . 18601 1 516 . 1 1 145 145 VAL H H 1 7.890 . . 1 . . . X 144 VAL H . 18601 1 517 . 1 1 145 145 VAL CA C 13 57.928 . . 1 . . . X 144 VAL CA . 18601 1 518 . 1 1 145 145 VAL CB C 13 32.230 . . 1 . . . X 144 VAL CB . 18601 1 519 . 1 1 145 145 VAL N N 15 111.139 . . 1 . . . X 144 VAL N . 18601 1 520 . 1 1 146 146 LEU H H 1 7.732 . . 1 . . . X 145 LEU H . 18601 1 521 . 1 1 146 146 LEU CA C 13 53.795 . . 1 . . . X 145 LEU CA . 18601 1 522 . 1 1 146 146 LEU CB C 13 44.740 . . 1 . . . X 145 LEU CB . 18601 1 523 . 1 1 146 146 LEU N N 15 127.048 . . 1 . . . X 145 LEU N . 18601 1 524 . 1 1 147 147 LEU H H 1 8.718 . . 1 . . . X 146 LEU H . 18601 1 525 . 1 1 147 147 LEU CA C 13 53.017 . . 1 . . . X 146 LEU CA . 18601 1 526 . 1 1 147 147 LEU CB C 13 42.615 . . 1 . . . X 146 LEU CB . 18601 1 527 . 1 1 147 147 LEU N N 15 127.037 . . 1 . . . X 146 LEU N . 18601 1 528 . 1 1 148 148 LYS H H 1 8.862 . . 1 . . . X 147 LYS H . 18601 1 529 . 1 1 148 148 LYS CA C 13 53.552 . . 1 . . . X 147 LYS CA . 18601 1 530 . 1 1 148 148 LYS CB C 13 34.868 . . 1 . . . X 147 LYS CB . 18601 1 531 . 1 1 148 148 LYS N N 15 128.656 . . 1 . . . X 147 LYS N . 18601 1 532 . 1 1 149 149 GLY H H 1 8.321 . . 1 . . . X 148 GLY H . 18601 1 533 . 1 1 149 149 GLY CA C 13 41.589 . . 1 . . . X 148 GLY CA . 18601 1 534 . 1 1 149 149 GLY N N 15 108.511 . . 1 . . . X 148 GLY N . 18601 1 535 . 1 1 152 152 GLY H H 1 9.907 . . 1 . . . X 151 GLY H . 18601 1 536 . 1 1 152 152 GLY CA C 13 44.488 . . 1 . . . X 151 GLY CA . 18601 1 537 . 1 1 152 152 GLY N N 15 115.625 . . 1 . . . X 151 GLY N . 18601 1 538 . 1 1 153 153 HIS H H 1 1.596 . . 1 . . . X 152 HIS H . 18601 1 539 . 1 1 153 153 HIS CA C 13 55.116 . . 1 . . . X 152 HIS CA . 18601 1 540 . 1 1 153 153 HIS CB C 13 31.819 . . 1 . . . X 152 HIS CB . 18601 1 541 . 1 1 153 153 HIS N N 15 126.957 . . 1 . . . X 152 HIS N . 18601 1 542 . 1 1 155 155 ASP H H 1 10.422 . . 1 . . . X 154 ASP H . 18601 1 543 . 1 1 155 155 ASP CA C 13 57.223 . . 1 . . . X 154 ASP CA . 18601 1 544 . 1 1 155 155 ASP CB C 13 40.260 . . 1 . . . X 154 ASP CB . 18601 1 545 . 1 1 155 155 ASP N N 15 119.783 . . 1 . . . X 154 ASP N . 18601 1 546 . 1 1 156 156 ALA H H 1 7.612 . . 1 . . . X 155 ALA H . 18601 1 547 . 1 1 156 156 ALA CA C 13 53.841 . . 1 . . . X 155 ALA CA . 18601 1 548 . 1 1 156 156 ALA CB C 13 18.198 . . 1 . . . X 155 ALA CB . 18601 1 549 . 1 1 156 156 ALA N N 15 123.998 . . 1 . . . X 155 ALA N . 18601 1 550 . 1 1 157 157 GLU H H 1 8.482 . . 1 . . . X 156 GLU H . 18601 1 551 . 1 1 157 157 GLU CA C 13 57.690 . . 1 . . . X 156 GLU CA . 18601 1 552 . 1 1 157 157 GLU CB C 13 52.647 . . 1 . . . X 156 GLU CB . 18601 1 553 . 1 1 157 157 GLU N N 15 118.251 . . 1 . . . X 156 GLU N . 18601 1 554 . 1 1 158 158 ALA H H 1 8.011 . . 1 . . . X 157 ALA H . 18601 1 555 . 1 1 158 158 ALA CA C 13 54.884 . . 1 . . . X 157 ALA CA . 18601 1 556 . 1 1 158 158 ALA CB C 13 17.769 . . 1 . . . X 157 ALA CB . 18601 1 557 . 1 1 158 158 ALA N N 15 121.408 . . 1 . . . X 157 ALA N . 18601 1 558 . 1 1 159 159 ARG H H 1 8.099 . . 1 . . . X 158 ARG H . 18601 1 559 . 1 1 159 159 ARG CA C 13 60.225 . . 1 . . . X 158 ARG CA . 18601 1 560 . 1 1 159 159 ARG CB C 13 54.140 . . 1 . . . X 158 ARG CB . 18601 1 561 . 1 1 159 159 ARG N N 15 116.707 . . 1 . . . X 158 ARG N . 18601 1 562 . 1 1 160 160 THR H H 1 7.404 . . 1 . . . X 159 THR H . 18601 1 563 . 1 1 160 160 THR CA C 13 66.960 . . 1 . . . X 159 THR CA . 18601 1 564 . 1 1 160 160 THR CB C 13 68.034 . . 1 . . . X 159 THR CB . 18601 1 565 . 1 1 160 160 THR N N 15 116.040 . . 1 . . . X 159 THR N . 18601 1 566 . 1 1 161 161 THR H H 1 7.868 . . 1 . . . X 160 THR H . 18601 1 567 . 1 1 161 161 THR CA C 13 65.884 . . 1 . . . X 160 THR CA . 18601 1 568 . 1 1 161 161 THR CB C 13 68.610 . . 1 . . . X 160 THR CB . 18601 1 569 . 1 1 161 161 THR N N 15 116.826 . . 1 . . . X 160 THR N . 18601 1 570 . 1 1 162 162 TYR H H 1 8.407 . . 1 . . . X 161 TYR H . 18601 1 571 . 1 1 162 162 TYR CA C 13 63.478 . . 1 . . . X 161 TYR CA . 18601 1 572 . 1 1 162 162 TYR CB C 13 36.150 . . 1 . . . X 161 TYR CB . 18601 1 573 . 1 1 162 162 TYR N N 15 116.828 . . 1 . . . X 161 TYR N . 18601 1 574 . 1 1 163 163 VAL H H 1 7.171 . . 1 . . . X 162 VAL H . 18601 1 575 . 1 1 163 163 VAL CA C 13 64.476 . . 1 . . . X 162 VAL CA . 18601 1 576 . 1 1 163 163 VAL CB C 13 34.699 . . 1 . . . X 162 VAL CB . 18601 1 577 . 1 1 163 163 VAL N N 15 120.914 . . 1 . . . X 162 VAL N . 18601 1 578 . 1 1 164 164 ILE H H 1 5.684 . . 1 . . . X 163 ILE H . 18601 1 579 . 1 1 164 164 ILE CA C 13 61.021 . . 1 . . . X 163 ILE CA . 18601 1 580 . 1 1 164 164 ILE CB C 13 34.967 . . 1 . . . X 163 ILE CB . 18601 1 581 . 1 1 164 164 ILE N N 15 120.089 . . 1 . . . X 163 ILE N . 18601 1 582 . 1 1 165 165 LYS H H 1 7.539 . . 1 . . . X 164 LYS H . 18601 1 583 . 1 1 165 165 LYS CA C 13 58.986 . . 1 . . . X 164 LYS CA . 18601 1 584 . 1 1 165 165 LYS CB C 13 32.248 . . 1 . . . X 164 LYS CB . 18601 1 585 . 1 1 165 165 LYS N N 15 120.128 . . 1 . . . X 164 LYS N . 18601 1 586 . 1 1 166 166 GLU H H 1 8.110 . . 1 . . . X 165 GLU H . 18601 1 587 . 1 1 166 166 GLU CA C 13 57.688 . . 1 . . . X 165 GLU CA . 18601 1 588 . 1 1 166 166 GLU CB C 13 52.489 . . 1 . . . X 165 GLU CB . 18601 1 589 . 1 1 166 166 GLU N N 15 118.459 . . 1 . . . X 165 GLU N . 18601 1 590 . 1 1 167 167 LEU H H 1 7.075 . . 1 . . . X 166 LEU H . 18601 1 591 . 1 1 167 167 LEU CA C 13 58.231 . . 1 . . . X 166 LEU CA . 18601 1 592 . 1 1 167 167 LEU CB C 13 40.327 . . 1 . . . X 166 LEU CB . 18601 1 593 . 1 1 167 167 LEU N N 15 119.083 . . 1 . . . X 166 LEU N . 18601 1 594 . 1 1 168 168 ASN H H 1 8.126 . . 1 . . . X 167 ASN H . 18601 1 595 . 1 1 168 168 ASN CA C 13 55.365 . . 1 . . . X 167 ASN CA . 18601 1 596 . 1 1 168 168 ASN CB C 13 37.607 . . 1 . . . X 167 ASN CB . 18601 1 597 . 1 1 168 168 ASN N N 15 117.273 . . 1 . . . X 167 ASN N . 18601 1 598 . 1 1 169 169 ASP H H 1 9.297 . . 1 . . . X 168 ASP H . 18601 1 599 . 1 1 169 169 ASP CA C 13 56.706 . . 1 . . . X 168 ASP CA . 18601 1 600 . 1 1 169 169 ASP CB C 13 39.093 . . 1 . . . X 168 ASP CB . 18601 1 601 . 1 1 169 169 ASP N N 15 125.809 . . 1 . . . X 168 ASP N . 18601 1 602 . 1 1 170 170 LYS H H 1 7.687 . . 1 . . . X 169 LYS H . 18601 1 603 . 1 1 170 170 LYS CA C 13 55.210 . . 1 . . . X 169 LYS CA . 18601 1 604 . 1 1 170 170 LYS CB C 13 30.490 . . 1 . . . X 169 LYS CB . 18601 1 605 . 1 1 170 170 LYS N N 15 120.511 . . 1 . . . X 169 LYS N . 18601 1 606 . 1 1 171 171 GLY H H 1 7.825 . . 1 . . . X 170 GLY H . 18601 1 607 . 1 1 171 171 GLY CA C 13 44.774 . . 1 . . . X 170 GLY CA . 18601 1 608 . 1 1 171 171 GLY N N 15 108.212 . . 1 . . . X 170 GLY N . 18601 1 609 . 1 1 172 172 ILE H H 1 8.038 . . 1 . . . X 171 ILE H . 18601 1 610 . 1 1 172 172 ILE CA C 13 59.953 . . 1 . . . X 171 ILE CA . 18601 1 611 . 1 1 172 172 ILE CB C 13 36.861 . . 1 . . . X 171 ILE CB . 18601 1 612 . 1 1 172 172 ILE N N 15 124.565 . . 1 . . . X 171 ILE N . 18601 1 613 . 1 1 173 173 LYS H H 1 8.522 . . 1 . . . X 172 LYS H . 18601 1 614 . 1 1 173 173 LYS CA C 13 56.072 . . 1 . . . X 172 LYS CA . 18601 1 615 . 1 1 173 173 LYS CB C 13 32.293 . . 1 . . . X 172 LYS CB . 18601 1 616 . 1 1 173 173 LYS N N 15 128.405 . . 1 . . . X 172 LYS N . 18601 1 617 . 1 1 174 174 THR H H 1 8.046 . . 1 . . . X 173 THR H . 18601 1 618 . 1 1 174 174 THR CA C 13 58.296 . . 1 . . . X 173 THR CA . 18601 1 619 . 1 1 174 174 THR CB C 13 70.932 . . 1 . . . X 173 THR CB . 18601 1 620 . 1 1 174 174 THR N N 15 110.765 . . 1 . . . X 173 THR N . 18601 1 621 . 1 1 175 175 GLU H H 1 9.072 . . 1 . . . X 174 GLU H . 18601 1 622 . 1 1 175 175 GLU CA C 13 54.377 . . 1 . . . X 174 GLU CA . 18601 1 623 . 1 1 175 175 GLU CB C 13 31.401 . . 1 . . . X 174 GLU CB . 18601 1 624 . 1 1 175 175 GLU N N 15 123.781 . . 1 . . . X 174 GLU N . 18601 1 625 . 1 1 176 176 GLN H H 1 8.350 . . 1 . . . X 175 GLN H . 18601 1 626 . 1 1 176 176 GLN CA C 13 54.246 . . 1 . . . X 175 GLN CA . 18601 1 627 . 1 1 176 176 GLN CB C 13 29.436 . . 1 . . . X 175 GLN CB . 18601 1 628 . 1 1 176 176 GLN N N 15 129.706 . . 1 . . . X 175 GLN N . 18601 1 629 . 1 1 177 177 LEU H H 1 8.483 . . 1 . . . X 176 LEU H . 18601 1 630 . 1 1 177 177 LEU CA C 13 55.408 . . 1 . . . X 176 LEU CA . 18601 1 631 . 1 1 177 177 LEU CB C 13 41.039 . . 1 . . . X 176 LEU CB . 18601 1 632 . 1 1 177 177 LEU N N 15 129.273 . . 1 . . . X 176 LEU N . 18601 1 633 . 1 1 178 178 GLN H H 1 6.239 . . 1 . . . X 177 GLN H . 18601 1 634 . 1 1 178 178 GLN CA C 13 53.170 . . 1 . . . X 177 GLN CA . 18601 1 635 . 1 1 178 178 GLN CB C 13 30.531 . . 1 . . . X 177 GLN CB . 18601 1 636 . 1 1 178 178 GLN N N 15 111.229 . . 1 . . . X 177 GLN N . 18601 1 637 . 1 1 179 179 LEU H H 1 8.131 . . 1 . . . X 178 LEU H . 18601 1 638 . 1 1 179 179 LEU CA C 13 55.610 . . 1 . . . X 178 LEU CA . 18601 1 639 . 1 1 179 179 LEU CB C 13 43.554 . . 1 . . . X 178 LEU CB . 18601 1 640 . 1 1 179 179 LEU N N 15 124.666 . . 1 . . . X 178 LEU N . 18601 1 641 . 1 1 180 180 ASP H H 1 8.673 . . 1 . . . X 179 ASP H . 18601 1 642 . 1 1 180 180 ASP CA C 13 52.051 . . 1 . . . X 179 ASP CA . 18601 1 643 . 1 1 180 180 ASP CB C 13 44.280 . . 1 . . . X 179 ASP CB . 18601 1 644 . 1 1 180 180 ASP N N 15 123.782 . . 1 . . . X 179 ASP N . 18601 1 645 . 1 1 181 181 THR H H 1 9.371 . . 1 . . . X 180 THR H . 18601 1 646 . 1 1 181 181 THR CA C 13 58.689 . . 1 . . . X 180 THR CA . 18601 1 647 . 1 1 181 181 THR CB C 13 69.388 . . 1 . . . X 180 THR CB . 18601 1 648 . 1 1 181 181 THR N N 15 116.088 . . 1 . . . X 180 THR N . 18601 1 649 . 1 1 182 182 ALA H H 1 8.298 . . 1 . . . X 181 ALA H . 18601 1 650 . 1 1 182 182 ALA CA C 13 50.085 . . 1 . . . X 181 ALA CA . 18601 1 651 . 1 1 182 182 ALA CB C 13 17.514 . . 1 . . . X 181 ALA CB . 18601 1 652 . 1 1 182 182 ALA N N 15 126.812 . . 1 . . . X 181 ALA N . 18601 1 653 . 1 1 183 183 MET H H 1 8.311 . . 1 . . . X 182 MET H . 18601 1 654 . 1 1 183 183 MET CA C 13 55.054 . . 1 . . . X 182 MET CA . 18601 1 655 . 1 1 183 183 MET CB C 13 51.987 . . 1 . . . X 182 MET CB . 18601 1 656 . 1 1 183 183 MET N N 15 112.142 . . 1 . . . X 182 MET N . 18601 1 657 . 1 1 184 184 TRP H H 1 7.149 . . 1 . . . X 183 TRP H . 18601 1 658 . 1 1 184 184 TRP CA C 13 57.823 . . 1 . . . X 183 TRP CA . 18601 1 659 . 1 1 184 184 TRP CB C 13 53.329 . . 1 . . . X 183 TRP CB . 18601 1 660 . 1 1 184 184 TRP N N 15 107.350 . . 1 . . . X 183 TRP N . 18601 1 661 . 1 1 185 185 ASP H H 1 8.116 . . 1 . . . X 184 ASP H . 18601 1 662 . 1 1 185 185 ASP CA C 13 53.895 . . 1 . . . X 184 ASP CA . 18601 1 663 . 1 1 185 185 ASP CB C 13 45.610 . . 1 . . . X 184 ASP CB . 18601 1 664 . 1 1 185 185 ASP N N 15 123.514 . . 1 . . . X 184 ASP N . 18601 1 665 . 1 1 186 186 THR H H 1 8.492 . . 1 . . . X 185 THR H . 18601 1 666 . 1 1 186 186 THR CA C 13 66.452 . . 1 . . . X 185 THR CA . 18601 1 667 . 1 1 186 186 THR CB C 13 69.119 . . 1 . . . X 185 THR CB . 18601 1 668 . 1 1 186 186 THR N N 15 124.141 . . 1 . . . X 185 THR N . 18601 1 669 . 1 1 187 187 ALA H H 1 7.843 . . 1 . . . X 186 ALA H . 18601 1 670 . 1 1 187 187 ALA CA C 13 54.958 . . 1 . . . X 186 ALA CA . 18601 1 671 . 1 1 187 187 ALA CB C 13 16.831 . . 1 . . . X 186 ALA CB . 18601 1 672 . 1 1 187 187 ALA N N 15 125.770 . . 1 . . . X 186 ALA N . 18601 1 673 . 1 1 188 188 GLN H H 1 8.791 . . 1 . . . X 187 GLN H . 18601 1 674 . 1 1 188 188 GLN CA C 13 58.776 . . 1 . . . X 187 GLN CA . 18601 1 675 . 1 1 188 188 GLN CB C 13 52.778 . . 1 . . . X 187 GLN CB . 18601 1 676 . 1 1 188 188 GLN N N 15 118.855 . . 1 . . . X 187 GLN N . 18601 1 677 . 1 1 189 189 ALA H H 1 7.779 . . 1 . . . X 188 ALA H . 18601 1 678 . 1 1 189 189 ALA CA C 13 54.418 . . 1 . . . X 188 ALA CA . 18601 1 679 . 1 1 189 189 ALA CB C 13 19.549 . . 1 . . . X 188 ALA CB . 18601 1 680 . 1 1 189 189 ALA N N 15 122.752 . . 1 . . . X 188 ALA N . 18601 1 681 . 1 1 190 190 LYS H H 1 7.984 . . 1 . . . X 189 LYS H . 18601 1 682 . 1 1 190 190 LYS CA C 13 59.359 . . 1 . . . X 189 LYS CA . 18601 1 683 . 1 1 190 190 LYS CB C 13 31.026 . . 1 . . . X 189 LYS CB . 18601 1 684 . 1 1 190 190 LYS N N 15 121.120 . . 1 . . . X 189 LYS N . 18601 1 685 . 1 1 191 191 ASP H H 1 7.593 . . 1 . . . X 190 ASP H . 18601 1 686 . 1 1 191 191 ASP CA C 13 56.867 . . 1 . . . X 190 ASP CA . 18601 1 687 . 1 1 191 191 ASP CB C 13 39.621 . . 1 . . . X 190 ASP CB . 18601 1 688 . 1 1 191 191 ASP N N 15 118.896 . . 1 . . . X 190 ASP N . 18601 1 689 . 1 1 192 192 LYS H H 1 7.830 . . 1 . . . X 191 LYS H . 18601 1 690 . 1 1 192 192 LYS CA C 13 56.692 . . 1 . . . X 191 LYS CA . 18601 1 691 . 1 1 192 192 LYS CB C 13 29.427 . . 1 . . . X 191 LYS CB . 18601 1 692 . 1 1 192 192 LYS N N 15 121.529 . . 1 . . . X 191 LYS N . 18601 1 693 . 1 1 193 193 MET H H 1 7.928 . . 1 . . . X 192 MET H . 18601 1 694 . 1 1 193 193 MET CA C 13 55.874 . . 1 . . . X 192 MET CA . 18601 1 695 . 1 1 193 193 MET CB C 13 30.321 . . 1 . . . X 192 MET CB . 18601 1 696 . 1 1 193 193 MET N N 15 117.256 . . 1 . . . X 192 MET N . 18601 1 697 . 1 1 194 194 ASP H H 1 8.509 . . 1 . . . X 193 ASP H . 18601 1 698 . 1 1 194 194 ASP CA C 13 57.540 . . 1 . . . X 193 ASP CA . 18601 1 699 . 1 1 194 194 ASP CB C 13 41.208 . . 1 . . . X 193 ASP CB . 18601 1 700 . 1 1 194 194 ASP N N 15 120.107 . . 1 . . . X 193 ASP N . 18601 1 701 . 1 1 195 195 ALA H H 1 7.330 . . 1 . . . X 194 ALA H . 18601 1 702 . 1 1 195 195 ALA CA C 13 54.582 . . 1 . . . X 194 ALA CA . 18601 1 703 . 1 1 195 195 ALA CB C 13 16.290 . . 1 . . . X 194 ALA CB . 18601 1 704 . 1 1 195 195 ALA N N 15 122.769 . . 1 . . . X 194 ALA N . 18601 1 705 . 1 1 196 196 TRP H H 1 8.178 . . 1 . . . X 195 TRP H . 18601 1 706 . 1 1 196 196 TRP CA C 13 57.226 . . 1 . . . X 195 TRP CA . 18601 1 707 . 1 1 196 196 TRP CB C 13 52.708 . . 1 . . . X 195 TRP CB . 18601 1 708 . 1 1 196 196 TRP N N 15 122.738 . . 1 . . . X 195 TRP N . 18601 1 709 . 1 1 197 197 LEU H H 1 8.425 . . 1 . . . X 196 LEU H . 18601 1 710 . 1 1 197 197 LEU CA C 13 55.557 . . 1 . . . X 196 LEU CA . 18601 1 711 . 1 1 197 197 LEU CB C 13 39.318 . . 1 . . . X 196 LEU CB . 18601 1 712 . 1 1 197 197 LEU N N 15 119.172 . . 1 . . . X 196 LEU N . 18601 1 713 . 1 1 198 198 SER H H 1 7.431 . . 1 . . . X 197 SER H . 18601 1 714 . 1 1 198 198 SER CA C 13 57.789 . . 1 . . . X 197 SER CA . 18601 1 715 . 1 1 198 198 SER CB C 13 63.197 . . 1 . . . X 197 SER CB . 18601 1 716 . 1 1 198 198 SER N N 15 114.574 . . 1 . . . X 197 SER N . 18601 1 717 . 1 1 199 199 GLY H H 1 7.136 . . 1 . . . X 198 GLY H . 18601 1 718 . 1 1 199 199 GLY CA C 13 44.221 . . 1 . . . X 198 GLY CA . 18601 1 719 . 1 1 199 199 GLY N N 15 109.823 . . 1 . . . X 198 GLY N . 18601 1 720 . 1 1 202 202 ALA H H 1 7.422 . . 1 . . . X 201 ALA H . 18601 1 721 . 1 1 202 202 ALA CA C 13 55.905 . . 1 . . . X 201 ALA CA . 18601 1 722 . 1 1 202 202 ALA CB C 13 19.727 . . 1 . . . X 201 ALA CB . 18601 1 723 . 1 1 202 202 ALA N N 15 124.189 . . 1 . . . X 201 ALA N . 18601 1 724 . 1 1 203 203 ASN H H 1 8.319 . . 1 . . . X 202 ASN H . 18601 1 725 . 1 1 203 203 ASN CA C 13 53.151 . . 1 . . . X 202 ASN CA . 18601 1 726 . 1 1 203 203 ASN CB C 13 37.041 . . 1 . . . X 202 ASN CB . 18601 1 727 . 1 1 203 203 ASN N N 15 111.737 . . 1 . . . X 202 ASN N . 18601 1 728 . 1 1 204 204 LYS H H 1 7.561 . . 1 . . . X 203 LYS H . 18601 1 729 . 1 1 204 204 LYS CA C 13 55.308 . . 1 . . . X 203 LYS CA . 18601 1 730 . 1 1 204 204 LYS CB C 13 33.694 . . 1 . . . X 203 LYS CB . 18601 1 731 . 1 1 204 204 LYS N N 15 117.758 . . 1 . . . X 203 LYS N . 18601 1 732 . 1 1 205 205 ILE H H 1 6.529 . . 1 . . . X 204 ILE H . 18601 1 733 . 1 1 205 205 ILE CA C 13 63.744 . . 1 . . . X 204 ILE CA . 18601 1 734 . 1 1 205 205 ILE CB C 13 38.670 . . 1 . . . X 204 ILE CB . 18601 1 735 . 1 1 205 205 ILE N N 15 118.863 . . 1 . . . X 204 ILE N . 18601 1 736 . 1 1 206 206 GLU H H 1 7.945 . . 1 . . . X 205 GLU H . 18601 1 737 . 1 1 206 206 GLU CA C 13 55.641 . . 1 . . . X 205 GLU CA . 18601 1 738 . 1 1 206 206 GLU CB C 13 29.892 . . 1 . . . X 205 GLU CB . 18601 1 739 . 1 1 206 206 GLU N N 15 123.350 . . 1 . . . X 205 GLU N . 18601 1 740 . 1 1 207 207 VAL H H 1 7.249 . . 1 . . . X 206 VAL H . 18601 1 741 . 1 1 207 207 VAL CA C 13 60.454 . . 1 . . . X 206 VAL CA . 18601 1 742 . 1 1 207 207 VAL CB C 13 36.915 . . 1 . . . X 206 VAL CB . 18601 1 743 . 1 1 207 207 VAL N N 15 114.993 . . 1 . . . X 206 VAL N . 18601 1 744 . 1 1 208 208 VAL H H 1 8.547 . . 1 . . . X 207 VAL H . 18601 1 745 . 1 1 208 208 VAL CA C 13 60.554 . . 1 . . . X 207 VAL CA . 18601 1 746 . 1 1 208 208 VAL CB C 13 31.580 . . 1 . . . X 207 VAL CB . 18601 1 747 . 1 1 208 208 VAL N N 15 126.237 . . 1 . . . X 207 VAL N . 18601 1 748 . 1 1 209 209 ILE H H 1 8.782 . . 1 . . . X 208 ILE H . 18601 1 749 . 1 1 209 209 ILE CA C 13 60.706 . . 1 . . . X 208 ILE CA . 18601 1 750 . 1 1 209 209 ILE CB C 13 39.361 . . 1 . . . X 208 ILE CB . 18601 1 751 . 1 1 209 209 ILE N N 15 128.281 . . 1 . . . X 208 ILE N . 18601 1 752 . 1 1 210 210 ALA H H 1 8.448 . . 1 . . . X 209 ALA H . 18601 1 753 . 1 1 210 210 ALA CA C 13 48.772 . . 1 . . . X 209 ALA CA . 18601 1 754 . 1 1 210 210 ALA CB C 13 22.693 . . 1 . . . X 209 ALA CB . 18601 1 755 . 1 1 210 210 ALA N N 15 126.994 . . 1 . . . X 209 ALA N . 18601 1 756 . 1 1 211 211 ASN H H 1 8.269 . . 1 . . . X 210 ASN H . 18601 1 757 . 1 1 211 211 ASN CA C 13 53.372 . . 1 . . . X 210 ASN CA . 18601 1 758 . 1 1 211 211 ASN CB C 13 40.943 . . 1 . . . X 210 ASN CB . 18601 1 759 . 1 1 211 211 ASN N N 15 114.049 . . 1 . . . X 210 ASN N . 18601 1 760 . 1 1 212 212 ASN H H 1 7.419 . . 1 . . . X 211 ASN H . 18601 1 761 . 1 1 212 212 ASN CA C 13 51.666 . . 1 . . . X 211 ASN CA . 18601 1 762 . 1 1 212 212 ASN CB C 13 39.438 . . 1 . . . X 211 ASN CB . 18601 1 763 . 1 1 212 212 ASN N N 15 112.586 . . 1 . . . X 211 ASN N . 18601 1 764 . 1 1 213 213 ASP H H 1 8.167 . . 1 . . . X 212 ASP H . 18601 1 765 . 1 1 213 213 ASP CA C 13 56.390 . . 1 . . . X 212 ASP CA . 18601 1 766 . 1 1 213 213 ASP CB C 13 39.938 . . 1 . . . X 212 ASP CB . 18601 1 767 . 1 1 213 213 ASP N N 15 123.995 . . 1 . . . X 212 ASP N . 18601 1 768 . 1 1 214 214 ALA H H 1 8.721 . . 1 . . . X 213 ALA H . 18601 1 769 . 1 1 214 214 ALA CA C 13 55.749 . . 1 . . . X 213 ALA CA . 18601 1 770 . 1 1 214 214 ALA CB C 13 16.538 . . 1 . . . X 213 ALA CB . 18601 1 771 . 1 1 214 214 ALA N N 15 125.198 . . 1 . . . X 213 ALA N . 18601 1 772 . 1 1 215 215 MET H H 1 8.294 . . 1 . . . X 214 MET H . 18601 1 773 . 1 1 215 215 MET CA C 13 58.157 . . 1 . . . X 214 MET CA . 18601 1 774 . 1 1 215 215 MET CB C 13 32.019 . . 1 . . . X 214 MET CB . 18601 1 775 . 1 1 215 215 MET N N 15 116.451 . . 1 . . . X 214 MET N . 18601 1 776 . 1 1 216 216 ALA H H 1 7.664 . . 1 . . . X 215 ALA H . 18601 1 777 . 1 1 216 216 ALA CA C 13 54.823 . . 1 . . . X 215 ALA CA . 18601 1 778 . 1 1 216 216 ALA CB C 13 17.198 . . 1 . . . X 215 ALA CB . 18601 1 779 . 1 1 216 216 ALA N N 15 123.778 . . 1 . . . X 215 ALA N . 18601 1 780 . 1 1 217 217 MET H H 1 8.858 . . 1 . . . X 216 MET H . 18601 1 781 . 1 1 217 217 MET CA C 13 59.463 . . 1 . . . X 216 MET CA . 18601 1 782 . 1 1 217 217 MET CB C 13 31.860 . . 1 . . . X 216 MET CB . 18601 1 783 . 1 1 217 217 MET N N 15 116.365 . . 1 . . . X 216 MET N . 18601 1 784 . 1 1 218 218 GLY H H 1 7.493 . . 1 . . . X 217 GLY H . 18601 1 785 . 1 1 218 218 GLY CA C 13 46.994 . . 1 . . . X 217 GLY CA . 18601 1 786 . 1 1 218 218 GLY N N 15 108.863 . . 1 . . . X 217 GLY N . 18601 1 787 . 1 1 219 219 ALA H H 1 7.767 . . 1 . . . X 218 ALA H . 18601 1 788 . 1 1 219 219 ALA CA C 13 55.056 . . 1 . . . X 218 ALA CA . 18601 1 789 . 1 1 219 219 ALA CB C 13 16.984 . . 1 . . . X 218 ALA CB . 18601 1 790 . 1 1 219 219 ALA N N 15 124.396 . . 1 . . . X 218 ALA N . 18601 1 791 . 1 1 220 220 VAL H H 1 8.218 . . 1 . . . X 219 VAL H . 18601 1 792 . 1 1 220 220 VAL CA C 13 66.315 . . 1 . . . X 219 VAL CA . 18601 1 793 . 1 1 220 220 VAL CB C 13 30.815 . . 1 . . . X 219 VAL CB . 18601 1 794 . 1 1 220 220 VAL N N 15 118.696 . . 1 . . . X 219 VAL N . 18601 1 795 . 1 1 221 221 GLU H H 1 7.353 . . 1 . . . X 220 GLU H . 18601 1 796 . 1 1 221 221 GLU CA C 13 59.082 . . 1 . . . X 220 GLU CA . 18601 1 797 . 1 1 221 221 GLU CB C 13 53.863 . . 1 . . . X 220 GLU CB . 18601 1 798 . 1 1 221 221 GLU N N 15 119.525 . . 1 . . . X 220 GLU N . 18601 1 799 . 1 1 222 222 ALA H H 1 7.632 . . 1 . . . X 221 ALA H . 18601 1 800 . 1 1 222 222 ALA CA C 13 54.412 . . 1 . . . X 221 ALA CA . 18601 1 801 . 1 1 222 222 ALA CB C 13 18.408 . . 1 . . . X 221 ALA CB . 18601 1 802 . 1 1 222 222 ALA N N 15 123.513 . . 1 . . . X 221 ALA N . 18601 1 803 . 1 1 223 223 LEU H H 1 8.556 . . 1 . . . X 222 LEU H . 18601 1 804 . 1 1 223 223 LEU CA C 13 58.229 . . 1 . . . X 222 LEU CA . 18601 1 805 . 1 1 223 223 LEU CB C 13 39.644 . . 1 . . . X 222 LEU CB . 18601 1 806 . 1 1 223 223 LEU N N 15 119.878 . . 1 . . . X 222 LEU N . 18601 1 807 . 1 1 224 224 LYS H H 1 8.081 . . 1 . . . X 223 LYS H . 18601 1 808 . 1 1 224 224 LYS CA C 13 59.116 . . 1 . . . X 223 LYS CA . 18601 1 809 . 1 1 224 224 LYS CB C 13 31.043 . . 1 . . . X 223 LYS CB . 18601 1 810 . 1 1 224 224 LYS N N 15 120.907 . . 1 . . . X 223 LYS N . 18601 1 811 . 1 1 225 225 ALA H H 1 7.577 . . 1 . . . X 224 ALA H . 18601 1 812 . 1 1 225 225 ALA CA C 13 53.950 . . 1 . . . X 224 ALA CA . 18601 1 813 . 1 1 225 225 ALA CB C 13 17.181 . . 1 . . . X 224 ALA CB . 18601 1 814 . 1 1 225 225 ALA N N 15 123.382 . . 1 . . . X 224 ALA N . 18601 1 815 . 1 1 226 226 HIS H H 1 7.370 . . 1 . . . X 225 HIS H . 18601 1 816 . 1 1 226 226 HIS CA C 13 55.703 . . 1 . . . X 225 HIS CA . 18601 1 817 . 1 1 226 226 HIS CB C 13 29.722 . . 1 . . . X 225 HIS CB . 18601 1 818 . 1 1 226 226 HIS N N 15 115.179 . . 1 . . . X 225 HIS N . 18601 1 819 . 1 1 227 227 ASN H H 1 7.980 . . 1 . . . X 226 ASN H . 18601 1 820 . 1 1 227 227 ASN CA C 13 54.207 . . 1 . . . X 226 ASN CA . 18601 1 821 . 1 1 227 227 ASN CB C 13 36.266 . . 1 . . . X 226 ASN CB . 18601 1 822 . 1 1 227 227 ASN N N 15 117.557 . . 1 . . . X 226 ASN N . 18601 1 823 . 1 1 228 228 LYS H H 1 8.361 . . 1 . . . X 227 LYS H . 18601 1 824 . 1 1 228 228 LYS CA C 13 53.919 . . 1 . . . X 227 LYS CA . 18601 1 825 . 1 1 228 228 LYS CB C 13 32.053 . . 1 . . . X 227 LYS CB . 18601 1 826 . 1 1 228 228 LYS N N 15 119.504 . . 1 . . . X 227 LYS N . 18601 1 827 . 1 1 229 229 SER H H 1 7.850 . . 1 . . . X 228 SER H . 18601 1 828 . 1 1 229 229 SER CA C 13 60.365 . . 1 . . . X 228 SER CA . 18601 1 829 . 1 1 229 229 SER CB C 13 62.377 . . 1 . . . X 228 SER CB . 18601 1 830 . 1 1 229 229 SER N N 15 114.822 . . 1 . . . X 228 SER N . 18601 1 831 . 1 1 230 230 SER H H 1 7.742 . . 1 . . . X 229 SER H . 18601 1 832 . 1 1 230 230 SER CA C 13 58.171 . . 1 . . . X 229 SER CA . 18601 1 833 . 1 1 230 230 SER CB C 13 62.176 . . 1 . . . X 229 SER CB . 18601 1 834 . 1 1 230 230 SER N N 15 114.390 . . 1 . . . X 229 SER N . 18601 1 835 . 1 1 231 231 ILE H H 1 7.324 . . 1 . . . X 230 ILE H . 18601 1 836 . 1 1 231 231 ILE CA C 13 57.336 . . 1 . . . X 230 ILE CA . 18601 1 837 . 1 1 231 231 ILE CB C 13 35.960 . . 1 . . . X 230 ILE CB . 18601 1 838 . 1 1 231 231 ILE N N 15 128.192 . . 1 . . . X 230 ILE N . 18601 1 839 . 1 1 233 233 VAL H H 1 7.427 . . 1 . . . X 232 VAL H . 18601 1 840 . 1 1 233 233 VAL CA C 13 59.370 . . 1 . . . X 232 VAL CA . 18601 1 841 . 1 1 233 233 VAL CB C 13 33.276 . . 1 . . . X 232 VAL CB . 18601 1 842 . 1 1 233 233 VAL N N 15 120.041 . . 1 . . . X 232 VAL N . 18601 1 843 . 1 1 234 234 PHE H H 1 8.058 . . 1 . . . X 233 PHE H . 18601 1 844 . 1 1 234 234 PHE CA C 13 55.994 . . 1 . . . X 233 PHE CA . 18601 1 845 . 1 1 234 234 PHE CB C 13 42.778 . . 1 . . . X 233 PHE CB . 18601 1 846 . 1 1 234 234 PHE N N 15 123.050 . . 1 . . . X 233 PHE N . 18601 1 847 . 1 1 235 235 GLY H H 1 8.200 . . 1 . . . X 234 GLY H . 18601 1 848 . 1 1 235 235 GLY CA C 13 42.783 . . 1 . . . X 234 GLY CA . 18601 1 849 . 1 1 235 235 GLY N N 15 108.286 . . 1 . . . X 234 GLY N . 18601 1 850 . 1 1 236 236 VAL H H 1 6.099 . . 1 . . . X 235 VAL H . 18601 1 851 . 1 1 236 236 VAL CA C 13 65.014 . . 1 . . . X 235 VAL CA . 18601 1 852 . 1 1 236 236 VAL CB C 13 36.225 . . 1 . . . X 235 VAL CB . 18601 1 853 . 1 1 236 236 VAL N N 15 116.751 . . 1 . . . X 235 VAL N . 18601 1 854 . 1 1 237 237 ASP H H 1 8.746 . . 1 . . . X 236 ASP H . 18601 1 855 . 1 1 237 237 ASP CA C 13 61.003 . . 1 . . . X 236 ASP CA . 18601 1 856 . 1 1 237 237 ASP CB C 13 40.002 . . 1 . . . X 236 ASP CB . 18601 1 857 . 1 1 237 237 ASP N N 15 121.092 . . 1 . . . X 236 ASP N . 18601 1 858 . 1 1 238 238 ALA H H 1 9.142 . . 1 . . . X 237 ALA H . 18601 1 859 . 1 1 238 238 ALA CA C 13 51.572 . . 1 . . . X 237 ALA CA . 18601 1 860 . 1 1 238 238 ALA CB C 13 16.352 . . 1 . . . X 237 ALA CB . 18601 1 861 . 1 1 238 238 ALA N N 15 129.416 . . 1 . . . X 237 ALA N . 18601 1 862 . 1 1 241 241 GLU H H 1 9.776 . . 1 . . . X 240 GLU H . 18601 1 863 . 1 1 241 241 GLU CA C 13 58.976 . . 1 . . . X 240 GLU CA . 18601 1 864 . 1 1 241 241 GLU CB C 13 53.181 . . 1 . . . X 240 GLU CB . 18601 1 865 . 1 1 241 241 GLU N N 15 117.954 . . 1 . . . X 240 GLU N . 18601 1 866 . 1 1 242 242 ALA H H 1 7.241 . . 1 . . . X 241 ALA H . 18601 1 867 . 1 1 242 242 ALA CA C 13 53.760 . . 1 . . . X 241 ALA CA . 18601 1 868 . 1 1 242 242 ALA CB C 13 17.785 . . 1 . . . X 241 ALA CB . 18601 1 869 . 1 1 242 242 ALA N N 15 122.653 . . 1 . . . X 241 ALA N . 18601 1 870 . 1 1 243 243 LEU H H 1 8.228 . . 1 . . . X 242 LEU H . 18601 1 871 . 1 1 243 243 LEU CA C 13 57.518 . . 1 . . . X 242 LEU CA . 18601 1 872 . 1 1 243 243 LEU CB C 13 38.709 . . 1 . . . X 242 LEU CB . 18601 1 873 . 1 1 243 243 LEU N N 15 119.862 . . 1 . . . X 242 LEU N . 18601 1 874 . 1 1 244 244 ALA H H 1 7.405 . . 1 . . . X 243 ALA H . 18601 1 875 . 1 1 244 244 ALA CA C 13 54.513 . . 1 . . . X 243 ALA CA . 18601 1 876 . 1 1 244 244 ALA CB C 13 16.797 . . 1 . . . X 243 ALA CB . 18601 1 877 . 1 1 244 244 ALA N N 15 121.402 . . 1 . . . X 243 ALA N . 18601 1 878 . 1 1 245 245 LEU H H 1 7.061 . . 1 . . . X 244 LEU H . 18601 1 879 . 1 1 245 245 LEU CA C 13 55.664 . . 1 . . . X 244 LEU CA . 18601 1 880 . 1 1 245 245 LEU CB C 13 40.996 . . 1 . . . X 244 LEU CB . 18601 1 881 . 1 1 245 245 LEU N N 15 119.287 . . 1 . . . X 244 LEU N . 18601 1 882 . 1 1 246 246 VAL H H 1 8.094 . . 1 . . . X 245 VAL H . 18601 1 883 . 1 1 246 246 VAL CA C 13 64.028 . . 1 . . . X 245 VAL CA . 18601 1 884 . 1 1 246 246 VAL CB C 13 29.691 . . 1 . . . X 245 VAL CB . 18601 1 885 . 1 1 246 246 VAL N N 15 124.795 . . 1 . . . X 245 VAL N . 18601 1 886 . 1 1 247 247 LYS H H 1 7.763 . . 1 . . . X 246 LYS H . 18601 1 887 . 1 1 247 247 LYS CA C 13 58.981 . . 1 . . . X 246 LYS CA . 18601 1 888 . 1 1 247 247 LYS CB C 13 31.181 . . 1 . . . X 246 LYS CB . 18601 1 889 . 1 1 247 247 LYS N N 15 121.957 . . 1 . . . X 246 LYS N . 18601 1 890 . 1 1 248 248 SER H H 1 7.655 . . 1 . . . X 247 SER H . 18601 1 891 . 1 1 248 248 SER CA C 13 58.417 . . 1 . . . X 247 SER CA . 18601 1 892 . 1 1 248 248 SER CB C 13 63.033 . . 1 . . . X 247 SER CB . 18601 1 893 . 1 1 248 248 SER N N 15 111.353 . . 1 . . . X 247 SER N . 18601 1 894 . 1 1 249 249 GLY H H 1 7.524 . . 1 . . . X 248 GLY H . 18601 1 895 . 1 1 249 249 GLY CA C 13 44.669 . . 1 . . . X 248 GLY CA . 18601 1 896 . 1 1 249 249 GLY N N 15 111.114 . . 1 . . . X 248 GLY N . 18601 1 897 . 1 1 250 250 ALA H H 1 7.885 . . 1 . . . X 249 ALA H . 18601 1 898 . 1 1 250 250 ALA CA C 13 52.713 . . 1 . . . X 249 ALA CA . 18601 1 899 . 1 1 250 250 ALA CB C 13 19.215 . . 1 . . . X 249 ALA CB . 18601 1 900 . 1 1 250 250 ALA N N 15 124.833 . . 1 . . . X 249 ALA N . 18601 1 901 . 1 1 251 251 LEU H H 1 6.898 . . 1 . . . X 250 LEU H . 18601 1 902 . 1 1 251 251 LEU CA C 13 52.397 . . 1 . . . X 250 LEU CA . 18601 1 903 . 1 1 251 251 LEU CB C 13 44.992 . . 1 . . . X 250 LEU CB . 18601 1 904 . 1 1 251 251 LEU N N 15 118.390 . . 1 . . . X 250 LEU N . 18601 1 905 . 1 1 252 252 ALA H H 1 8.198 . . 1 . . . X 251 ALA H . 18601 1 906 . 1 1 252 252 ALA CA C 13 53.617 . . 1 . . . X 251 ALA CA . 18601 1 907 . 1 1 252 252 ALA CB C 13 17.920 . . 1 . . . X 251 ALA CB . 18601 1 908 . 1 1 252 252 ALA N N 15 129.300 . . 1 . . . X 251 ALA N . 18601 1 909 . 1 1 253 253 GLY H H 1 6.480 . . 1 . . . X 252 GLY H . 18601 1 910 . 1 1 253 253 GLY CA C 13 45.085 . . 1 . . . X 252 GLY CA . 18601 1 911 . 1 1 253 253 GLY N N 15 125.581 . . 1 . . . X 252 GLY N . 18601 1 912 . 1 1 254 254 THR H H 1 8.928 . . 1 . . . X 253 THR H . 18601 1 913 . 1 1 254 254 THR CA C 13 58.563 . . 1 . . . X 253 THR CA . 18601 1 914 . 1 1 254 254 THR CB C 13 65.782 . . 1 . . . X 253 THR CB . 18601 1 915 . 1 1 254 254 THR N N 15 118.059 . . 1 . . . X 253 THR N . 18601 1 916 . 1 1 255 255 VAL H H 1 8.249 . . 1 . . . X 254 VAL H . 18601 1 917 . 1 1 255 255 VAL CA C 13 60.840 . . 1 . . . X 254 VAL CA . 18601 1 918 . 1 1 255 255 VAL CB C 13 35.314 . . 1 . . . X 254 VAL CB . 18601 1 919 . 1 1 255 255 VAL N N 15 122.344 . . 1 . . . X 254 VAL N . 18601 1 920 . 1 1 256 256 LEU H H 1 9.538 . . 1 . . . X 255 LEU H . 18601 1 921 . 1 1 256 256 LEU CA C 13 54.513 . . 1 . . . X 255 LEU CA . 18601 1 922 . 1 1 256 256 LEU CB C 13 44.374 . . 1 . . . X 255 LEU CB . 18601 1 923 . 1 1 256 256 LEU N N 15 130.816 . . 1 . . . X 255 LEU N . 18601 1 924 . 1 1 257 257 ASN H H 1 8.364 . . 1 . . . X 256 ASN H . 18601 1 925 . 1 1 257 257 ASN CA C 13 51.536 . . 1 . . . X 256 ASN CA . 18601 1 926 . 1 1 257 257 ASN CB C 13 37.759 . . 1 . . . X 256 ASN CB . 18601 1 927 . 1 1 257 257 ASN N N 15 127.001 . . 1 . . . X 256 ASN N . 18601 1 928 . 1 1 258 258 ASP H H 1 8.750 . . 1 . . . X 257 ASP H . 18601 1 929 . 1 1 258 258 ASP CA C 13 53.305 . . 1 . . . X 257 ASP CA . 18601 1 930 . 1 1 258 258 ASP CB C 13 39.773 . . 1 . . . X 257 ASP CB . 18601 1 931 . 1 1 258 258 ASP N N 15 126.650 . . 1 . . . X 257 ASP N . 18601 1 932 . 1 1 259 259 ALA H H 1 8.271 . . 1 . . . X 258 ALA H . 18601 1 933 . 1 1 259 259 ALA CA C 13 54.239 . . 1 . . . X 258 ALA CA . 18601 1 934 . 1 1 259 259 ALA CB C 13 18.759 . . 1 . . . X 258 ALA CB . 18601 1 935 . 1 1 259 259 ALA N N 15 106.753 . . 1 . . . X 258 ALA N . 18601 1 936 . 1 1 260 260 ASN H H 1 8.273 . . 1 . . . X 259 ASN H . 18601 1 937 . 1 1 260 260 ASN CA C 13 56.417 . . 1 . . . X 259 ASN CA . 18601 1 938 . 1 1 260 260 ASN CB C 13 37.317 . . 1 . . . X 259 ASN CB . 18601 1 939 . 1 1 260 260 ASN N N 15 115.863 . . 1 . . . X 259 ASN N . 18601 1 940 . 1 1 261 261 ASN H H 1 7.762 . . 1 . . . X 260 ASN H . 18601 1 941 . 1 1 261 261 ASN CA C 13 54.779 . . 1 . . . X 260 ASN CA . 18601 1 942 . 1 1 261 261 ASN CB C 13 37.866 . . 1 . . . X 260 ASN CB . 18601 1 943 . 1 1 261 261 ASN N N 15 119.477 . . 1 . . . X 260 ASN N . 18601 1 944 . 1 1 262 262 GLN H H 1 7.557 . . 1 . . . X 261 GLN H . 18601 1 945 . 1 1 262 262 GLN CA C 13 59.470 . . 1 . . . X 261 GLN CA . 18601 1 946 . 1 1 262 262 GLN CB C 13 52.509 . . 1 . . . X 261 GLN CB . 18601 1 947 . 1 1 262 262 GLN N N 15 120.666 . . 1 . . . X 261 GLN N . 18601 1 948 . 1 1 267 267 PHE H H 1 8.167 . . 1 . . . X 266 PHE H . 18601 1 949 . 1 1 267 267 PHE CA C 13 61.840 . . 1 . . . X 266 PHE CA . 18601 1 950 . 1 1 267 267 PHE CB C 13 38.463 . . 1 . . . X 266 PHE CB . 18601 1 951 . 1 1 267 267 PHE N N 15 121.324 . . 1 . . . X 266 PHE N . 18601 1 952 . 1 1 268 268 ASP H H 1 9.098 . . 1 . . . X 267 ASP H . 18601 1 953 . 1 1 268 268 ASP CA C 13 56.753 . . 1 . . . X 267 ASP CA . 18601 1 954 . 1 1 268 268 ASP CB C 13 39.893 . . 1 . . . X 267 ASP CB . 18601 1 955 . 1 1 268 268 ASP N N 15 119.675 . . 1 . . . X 267 ASP N . 18601 1 956 . 1 1 269 269 LEU H H 1 7.739 . . 1 . . . X 268 LEU H . 18601 1 957 . 1 1 269 269 LEU CA C 13 57.878 . . 1 . . . X 268 LEU CA . 18601 1 958 . 1 1 269 269 LEU CB C 13 39.825 . . 1 . . . X 268 LEU CB . 18601 1 959 . 1 1 269 269 LEU N N 15 120.898 . . 1 . . . X 268 LEU N . 18601 1 960 . 1 1 270 270 ALA H H 1 7.795 . . 1 . . . X 269 ALA H . 18601 1 961 . 1 1 270 270 ALA CA C 13 55.063 . . 1 . . . X 269 ALA CA . 18601 1 962 . 1 1 270 270 ALA CB C 13 41.090 . . 1 . . . X 269 ALA CB . 18601 1 963 . 1 1 270 270 ALA N N 15 120.049 . . 1 . . . X 269 ALA N . 18601 1 964 . 1 1 271 271 LYS H H 1 8.427 . . 1 . . . X 270 LYS H . 18601 1 965 . 1 1 271 271 LYS CA C 13 58.900 . . 1 . . . X 270 LYS CA . 18601 1 966 . 1 1 271 271 LYS CB C 13 30.294 . . 1 . . . X 270 LYS CB . 18601 1 967 . 1 1 271 271 LYS N N 15 118.377 . . 1 . . . X 270 LYS N . 18601 1 968 . 1 1 272 272 ASN H H 1 7.539 . . 1 . . . X 271 ASN H . 18601 1 969 . 1 1 272 272 ASN CA C 13 55.159 . . 1 . . . X 271 ASN CA . 18601 1 970 . 1 1 272 272 ASN CB C 13 37.216 . . 1 . . . X 271 ASN CB . 18601 1 971 . 1 1 272 272 ASN N N 15 118.468 . . 1 . . . X 271 ASN N . 18601 1 972 . 1 1 273 273 LEU H H 1 8.249 . . 1 . . . X 272 LEU H . 18601 1 973 . 1 1 273 273 LEU CA C 13 56.908 . . 1 . . . X 272 LEU CA . 18601 1 974 . 1 1 273 273 LEU CB C 13 40.133 . . 1 . . . X 272 LEU CB . 18601 1 975 . 1 1 273 273 LEU N N 15 119.676 . . 1 . . . X 272 LEU N . 18601 1 976 . 1 1 274 274 ALA H H 1 8.436 . . 1 . . . X 273 ALA H . 18601 1 977 . 1 1 274 274 ALA CA C 13 54.075 . . 1 . . . X 273 ALA CA . 18601 1 978 . 1 1 274 274 ALA CB C 13 17.554 . . 1 . . . X 273 ALA CB . 18601 1 979 . 1 1 274 274 ALA N N 15 125.078 . . 1 . . . X 273 ALA N . 18601 1 980 . 1 1 275 275 ASP H H 1 7.510 . . 1 . . . X 274 ASP H . 18601 1 981 . 1 1 275 275 ASP CA C 13 53.838 . . 1 . . . X 274 ASP CA . 18601 1 982 . 1 1 275 275 ASP CB C 13 40.955 . . 1 . . . X 274 ASP CB . 18601 1 983 . 1 1 275 275 ASP N N 15 116.633 . . 1 . . . X 274 ASP N . 18601 1 984 . 1 1 276 276 GLY H H 1 7.745 . . 1 . . . X 275 GLY H . 18601 1 985 . 1 1 276 276 GLY CA C 13 45.497 . . 1 . . . X 275 GLY CA . 18601 1 986 . 1 1 276 276 GLY N N 15 109.285 . . 1 . . . X 275 GLY N . 18601 1 987 . 1 1 277 277 LYS H H 1 7.862 . . 1 . . . X 276 LYS H . 18601 1 988 . 1 1 277 277 LYS CA C 13 53.955 . . 1 . . . X 276 LYS CA . 18601 1 989 . 1 1 277 277 LYS CB C 13 32.986 . . 1 . . . X 276 LYS CB . 18601 1 990 . 1 1 277 277 LYS N N 15 121.035 . . 1 . . . X 276 LYS N . 18601 1 991 . 1 1 278 278 GLY H H 1 7.828 . . 1 . . . X 277 GLY H . 18601 1 992 . 1 1 278 278 GLY CA C 13 45.252 . . 1 . . . X 277 GLY CA . 18601 1 993 . 1 1 278 278 GLY N N 15 108.374 . . 1 . . . X 277 GLY N . 18601 1 994 . 1 1 279 279 ALA H H 1 8.014 . . 1 . . . X 278 ALA H . 18601 1 995 . 1 1 279 279 ALA CA C 13 55.117 . . 1 . . . X 278 ALA CA . 18601 1 996 . 1 1 279 279 ALA CB C 13 17.356 . . 1 . . . X 278 ALA CB . 18601 1 997 . 1 1 279 279 ALA N N 15 124.995 . . 1 . . . X 278 ALA N . 18601 1 998 . 1 1 280 280 ALA H H 1 7.992 . . 1 . . . X 279 ALA H . 18601 1 999 . 1 1 280 280 ALA CA C 13 49.275 . . 1 . . . X 279 ALA CA . 18601 1 1000 . 1 1 280 280 ALA CB C 13 18.448 . . 1 . . . X 279 ALA CB . 18601 1 1001 . 1 1 280 280 ALA N N 15 113.820 . . 1 . . . X 279 ALA N . 18601 1 1002 . 1 1 281 281 ASP H H 1 7.393 . . 1 . . . X 280 ASP H . 18601 1 1003 . 1 1 281 281 ASP CA C 13 55.990 . . 1 . . . X 280 ASP CA . 18601 1 1004 . 1 1 281 281 ASP CB C 13 39.576 . . 1 . . . X 280 ASP CB . 18601 1 1005 . 1 1 281 281 ASP N N 15 125.837 . . 1 . . . X 280 ASP N . 18601 1 1006 . 1 1 283 283 THR H H 1 7.786 . . 1 . . . X 282 THR H . 18601 1 1007 . 1 1 283 283 THR CA C 13 59.288 . . 1 . . . X 282 THR CA . 18601 1 1008 . 1 1 283 283 THR CB C 13 71.149 . . 1 . . . X 282 THR CB . 18601 1 1009 . 1 1 283 283 THR N N 15 110.817 . . 1 . . . X 282 THR N . 18601 1 1010 . 1 1 285 285 TRP H H 1 7.440 . . 1 . . . X 284 TRP H . 18601 1 1011 . 1 1 285 285 TRP CA C 13 55.987 . . 1 . . . X 284 TRP CA . 18601 1 1012 . 1 1 285 285 TRP CB C 13 29.425 . . 1 . . . X 284 TRP CB . 18601 1 1013 . 1 1 285 285 TRP N N 15 121.443 . . 1 . . . X 284 TRP N . 18601 1 1014 . 1 1 286 286 LYS H H 1 8.957 . . 1 . . . X 285 LYS H . 18601 1 1015 . 1 1 286 286 LYS CA C 13 54.502 . . 1 . . . X 285 LYS CA . 18601 1 1016 . 1 1 286 286 LYS CB C 13 30.994 . . 1 . . . X 285 LYS CB . 18601 1 1017 . 1 1 286 286 LYS N N 15 126.400 . . 1 . . . X 285 LYS N . 18601 1 1018 . 1 1 287 287 ILE H H 1 8.234 . . 1 . . . X 286 ILE H . 18601 1 1019 . 1 1 287 287 ILE CA C 13 59.882 . . 1 . . . X 286 ILE CA . 18601 1 1020 . 1 1 287 287 ILE CB C 13 37.536 . . 1 . . . X 286 ILE CB . 18601 1 1021 . 1 1 287 287 ILE N N 15 126.313 . . 1 . . . X 286 ILE N . 18601 1 1022 . 1 1 288 288 ASP H H 1 8.898 . . 1 . . . X 287 ASP H . 18601 1 1023 . 1 1 288 288 ASP CA C 13 52.372 . . 1 . . . X 287 ASP CA . 18601 1 1024 . 1 1 288 288 ASP CB C 13 41.806 . . 1 . . . X 287 ASP CB . 18601 1 1025 . 1 1 288 288 ASP N N 15 129.480 . . 1 . . . X 287 ASP N . 18601 1 1026 . 1 1 290 290 LYS H H 1 8.285 . . 1 . . . X 289 LYS H . 18601 1 1027 . 1 1 290 290 LYS CA C 13 59.164 . . 1 . . . X 289 LYS CA . 18601 1 1028 . 1 1 290 290 LYS CB C 13 53.740 . . 1 . . . X 289 LYS CB . 18601 1 1029 . 1 1 290 290 LYS N N 15 108.688 . . 1 . . . X 289 LYS N . 18601 1 1030 . 1 1 291 291 VAL H H 1 7.411 . . 1 . . . X 290 VAL H . 18601 1 1031 . 1 1 291 291 VAL CA C 13 60.215 . . 1 . . . X 290 VAL CA . 18601 1 1032 . 1 1 291 291 VAL CB C 13 33.754 . . 1 . . . X 290 VAL CB . 18601 1 1033 . 1 1 291 291 VAL N N 15 118.882 . . 1 . . . X 290 VAL N . 18601 1 1034 . 1 1 292 292 VAL H H 1 9.077 . . 1 . . . X 291 VAL H . 18601 1 1035 . 1 1 292 292 VAL CA C 13 60.593 . . 1 . . . X 291 VAL CA . 18601 1 1036 . 1 1 292 292 VAL CB C 13 32.853 . . 1 . . . X 291 VAL CB . 18601 1 1037 . 1 1 292 292 VAL N N 15 129.360 . . 1 . . . X 291 VAL N . 18601 1 1038 . 1 1 293 293 ARG H H 1 8.444 . . 1 . . . X 292 ARG H . 18601 1 1039 . 1 1 293 293 ARG CA C 13 52.068 . . 1 . . . X 292 ARG CA . 18601 1 1040 . 1 1 293 293 ARG CB C 13 53.804 . . 1 . . . X 292 ARG CB . 18601 1 1041 . 1 1 293 293 ARG N N 15 126.195 . . 1 . . . X 292 ARG N . 18601 1 1042 . 1 1 294 294 VAL H H 1 8.407 . . 1 . . . X 293 VAL H . 18601 1 1043 . 1 1 294 294 VAL CA C 13 59.737 . . 1 . . . X 293 VAL CA . 18601 1 1044 . 1 1 294 294 VAL CB C 13 31.042 . . 1 . . . X 293 VAL CB . 18601 1 1045 . 1 1 294 294 VAL N N 15 129.269 . . 1 . . . X 293 VAL N . 18601 1 1046 . 1 1 296 296 TYR H H 1 8.364 . . 1 . . . X 295 TYR H . 18601 1 1047 . 1 1 296 296 TYR CA C 13 58.173 . . 1 . . . X 295 TYR CA . 18601 1 1048 . 1 1 296 296 TYR CB C 13 39.024 . . 1 . . . X 295 TYR CB . 18601 1 1049 . 1 1 296 296 TYR N N 15 123.169 . . 1 . . . X 295 TYR N . 18601 1 1050 . 1 1 297 297 VAL H H 1 8.189 . . 1 . . . X 296 VAL H . 18601 1 1051 . 1 1 297 297 VAL CA C 13 60.804 . . 1 . . . X 296 VAL CA . 18601 1 1052 . 1 1 297 297 VAL CB C 13 34.766 . . 1 . . . X 296 VAL CB . 18601 1 1053 . 1 1 297 297 VAL N N 15 117.555 . . 1 . . . X 296 VAL N . 18601 1 1054 . 1 1 298 298 GLY H H 1 9.061 . . 1 . . . X 297 GLY H . 18601 1 1055 . 1 1 298 298 GLY CA C 13 45.407 . . 1 . . . X 297 GLY CA . 18601 1 1056 . 1 1 298 298 GLY N N 15 117.152 . . 1 . . . X 297 GLY N . 18601 1 1057 . 1 1 299 299 VAL H H 1 9.063 . . 1 . . . X 298 VAL H . 18601 1 1058 . 1 1 299 299 VAL CA C 13 61.167 . . 1 . . . X 298 VAL CA . 18601 1 1059 . 1 1 299 299 VAL CB C 13 32.621 . . 1 . . . X 298 VAL CB . 18601 1 1060 . 1 1 299 299 VAL N N 15 129.273 . . 1 . . . X 298 VAL N . 18601 1 1061 . 1 1 300 300 ASP H H 1 9.089 . . 1 . . . X 299 ASP H . 18601 1 1062 . 1 1 300 300 ASP CA C 13 51.804 . . 1 . . . X 299 ASP CA . 18601 1 1063 . 1 1 300 300 ASP CB C 13 42.032 . . 1 . . . X 299 ASP CB . 18601 1 1064 . 1 1 300 300 ASP N N 15 126.948 . . 1 . . . X 299 ASP N . 18601 1 1065 . 1 1 301 301 LYS H H 1 8.566 . . 1 . . . X 300 LYS H . 18601 1 1066 . 1 1 301 301 LYS CA C 13 58.993 . . 1 . . . X 300 LYS CA . 18601 1 1067 . 1 1 301 301 LYS CB C 13 31.143 . . 1 . . . X 300 LYS CB . 18601 1 1068 . 1 1 301 301 LYS N N 15 115.436 . . 1 . . . X 300 LYS N . 18601 1 1069 . 1 1 302 302 ASP H H 1 8.196 . . 1 . . . X 301 ASP H . 18601 1 1070 . 1 1 302 302 ASP CA C 13 56.236 . . 1 . . . X 301 ASP CA . 18601 1 1071 . 1 1 302 302 ASP CB C 13 40.235 . . 1 . . . X 301 ASP CB . 18601 1 1072 . 1 1 302 302 ASP N N 15 119.413 . . 1 . . . X 301 ASP N . 18601 1 1073 . 1 1 303 303 ASN H H 1 7.888 . . 1 . . . X 302 ASN H . 18601 1 1074 . 1 1 303 303 ASN CA C 13 51.776 . . 1 . . . X 302 ASN CA . 18601 1 1075 . 1 1 303 303 ASN CB C 13 37.883 . . 1 . . . X 302 ASN CB . 18601 1 1076 . 1 1 303 303 ASN N N 15 117.660 . . 1 . . . X 302 ASN N . 18601 1 1077 . 1 1 304 304 LEU H H 1 7.486 . . 1 . . . X 303 LEU H . 18601 1 1078 . 1 1 304 304 LEU CA C 13 57.770 . . 1 . . . X 303 LEU CA . 18601 1 1079 . 1 1 304 304 LEU CB C 13 41.360 . . 1 . . . X 303 LEU CB . 18601 1 1080 . 1 1 304 304 LEU N N 15 121.961 . . 1 . . . X 303 LEU N . 18601 1 1081 . 1 1 305 305 ALA H H 1 8.427 . . 1 . . . X 304 ALA H . 18601 1 1082 . 1 1 305 305 ALA CA C 13 53.837 . . 1 . . . X 304 ALA CA . 18601 1 1083 . 1 1 305 305 ALA CB C 13 17.246 . . 1 . . . X 304 ALA CB . 18601 1 1084 . 1 1 305 305 ALA N N 15 120.109 . . 1 . . . X 304 ALA N . 18601 1 1085 . 1 1 306 306 GLU H H 1 7.705 . . 1 . . . X 305 GLU H . 18601 1 1086 . 1 1 306 306 GLU CA C 13 57.186 . . 1 . . . X 305 GLU CA . 18601 1 1087 . 1 1 306 306 GLU CB C 13 53.406 . . 1 . . . X 305 GLU CB . 18601 1 1088 . 1 1 306 306 GLU N N 15 117.247 . . 1 . . . X 305 GLU N . 18601 1 1089 . 1 1 307 307 PHE H H 1 7.424 . . 1 . . . X 306 PHE H . 18601 1 1090 . 1 1 307 307 PHE CA C 13 57.959 . . 1 . . . X 306 PHE CA . 18601 1 1091 . 1 1 307 307 PHE CB C 13 39.097 . . 1 . . . X 306 PHE CB . 18601 1 1092 . 1 1 307 307 PHE N N 15 117.013 . . 1 . . . X 306 PHE N . 18601 1 1093 . 1 1 308 308 SER H H 1 7.562 . . 1 . . . X 307 SER H . 18601 1 1094 . 1 1 308 308 SER CA C 13 57.475 . . 1 . . . X 307 SER CA . 18601 1 1095 . 1 1 308 308 SER CB C 13 63.029 . . 1 . . . X 307 SER CB . 18601 1 1096 . 1 1 308 308 SER N N 15 115.418 . . 1 . . . X 307 SER N . 18601 1 1097 . 1 1 309 309 LYS H H 1 7.935 . . 1 . . . X 308 LYS H . 18601 1 1098 . 1 1 309 309 LYS CA C 13 55.808 . . 1 . . . X 308 LYS CA . 18601 1 1099 . 1 1 309 309 LYS CB C 13 31.779 . . 1 . . . X 308 LYS CB . 18601 1 1100 . 1 1 309 309 LYS N N 15 124.391 . . 1 . . . X 308 LYS N . 18601 1 1101 . 1 1 310 310 LYS H H 1 7.727 . . 1 . . . X 309 LYS H . 18601 1 1102 . 1 1 310 310 LYS CA C 13 57.101 . . 1 . . . X 309 LYS CA . 18601 1 1103 . 1 1 310 310 LYS CB C 13 31.776 . . 1 . . . X 309 LYS CB . 18601 1 1104 . 1 1 310 310 LYS N N 15 128.715 . . 1 . . . X 309 LYS N . 18601 1 stop_ save_