data_19831 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19831 _Entry.Title ; 13C and 15N Chemical Shift Assignments for the cellulose-binding protein CBM3b-Cbh9A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-03-04 _Entry.Accession_date 2014-03-04 _Entry.Last_release_date 2015-01-20 _Entry.Original_release_date 2015-01-20 _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 SOLID-STATE _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Hadar Ivanir . . . 19831 2 Amir Goldbourt . . . 19831 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19831 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 504 19831 '15N chemical shifts' 129 19831 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 . . 2015-01-20 2014-03-04 original author . 19831 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19831 _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 'Solid state NMR chemical shift assignment and conformational analysis of a cellulose binding protein facilitated by optimized glycerol enrichment' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _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 Hadar Ivanir . . . 19831 1 2 Amir Goldbourt . . . 19831 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19831 _Assembly.ID 1 _Assembly.Name CBM3b-Cbh9A _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 CBM3b-Cbh9A 1 $CBM3b-Cbh9A A . yes native no no . . . 19831 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CBM3b-Cbh9A _Entity.Sf_category entity _Entity.Sf_framecode CBM3b-Cbh9A _Entity.Entry_ID 19831 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CBM3b-Cbh9A _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSSGLVPRGSH MDVKVQYLCENTQTSTQEIK GKFNIVNTGNRDYSLKDIVL RYYFTKEHNSQLQFICYYTP IGSGNLIPSFGGSGDEHYLQ LEFKDVKLPAGGQTGEIQFV IRYADNSFHDQSNDYSFDPT IKAFQDYGKVTLYKNGELVW GTPPGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-20 represent a disordered histidine purification tag' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 166 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18662.6 _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 yes PDB 2YLK . CBM3b-Cbh9A(WT) X-ray . . . . . . . . . . . . . 19831 1 2 yes PDB 3ZQX . CBM3b-Cbh9A(N126W) . . . . . . . . . . . . . . 19831 1 3 no PDB 2YLK . "Carbohydrate-Binding Module Cbm3b From The Cellulosomal Cellobiohydrolase 9a From Clostridium Thermocellum" . . . . . 87.35 145 99.31 99.31 3.88e-101 . . . . 19831 1 4 no PDB 3ZQX . "Carbohydrate-Binding Module Cbm3b From The Cellulosomal Cellobiohydrolase 9a From Clostridium Thermocellum" . . . . . 87.95 146 99.32 99.32 2.51e-101 . . . . 19831 1 5 no PDB 4C8X . "Crystal Structure Of Carbohydrate-binding Module Cbm3b Mutant (y56s) From The Cellulosomal Cellobiohydrolase 9a From Clostridiu" . . . . . 87.35 145 99.31 99.31 5.27e-101 . . . . 19831 1 6 no EMBL CAA56918 . "cellulose 1,4-beta-cellobiosidase [Ruminiclostridium thermocellum]" . . . . . 87.35 1230 100.00 100.00 3.45e-93 . . . . 19831 1 7 no EMBL CDG35109 . "glycoside hydrolase family 9 [Ruminiclostridium thermocellum BC1]" . . . . . 87.35 609 100.00 100.00 2.50e-98 . . . . 19831 1 8 no GB ABN51651 . "glycoside hydrolase family 9 [Ruminiclostridium thermocellum ATCC 27405]" . . . . . 87.35 1224 100.00 100.00 4.01e-93 . . . . 19831 1 9 no GB ADU74864 . "glycoside hydrolase family 9 [Ruminiclostridium thermocellum DSM 1313]" . . . . . 87.35 1230 100.00 100.00 3.77e-93 . . . . 19831 1 10 no GB EEU00446 . "glycoside hydrolase family 9 [Ruminiclostridium thermocellum DSM 2360]" . . . . . 87.35 1230 100.00 100.00 3.77e-93 . . . . 19831 1 11 no GB EFB38789 . "glycoside hydrolase family 9 [Ruminiclostridium thermocellum JW20]" . . . . . 87.35 1224 100.00 100.00 4.01e-93 . . . . 19831 1 12 no GB EIC05226 . "glycoside hydrolase family 9 [Ruminiclostridium thermocellum YS]" . . . . . 87.35 1230 100.00 100.00 3.77e-93 . . . . 19831 1 13 no REF WP_003512736 . "cellulose 1,4-beta-cellobiosidase [Ruminiclostridium thermocellum]" . . . . . 87.35 1224 100.00 100.00 4.01e-93 . . . . 19831 1 14 no REF WP_003519027 . "cellulose 1,4-beta-cellobiosidase [Ruminiclostridium thermocellum]" . . . . . 87.35 1230 100.00 100.00 3.77e-93 . . . . 19831 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Carbohydrate-binding module' 19831 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 -20 MET . 19831 1 2 -19 GLY . 19831 1 3 -18 SER . 19831 1 4 -17 SER . 19831 1 5 -16 HIS . 19831 1 6 -15 HIS . 19831 1 7 -14 HIS . 19831 1 8 -13 HIS . 19831 1 9 -12 HIS . 19831 1 10 -11 HIS . 19831 1 11 -10 SER . 19831 1 12 -9 SER . 19831 1 13 -8 GLY . 19831 1 14 -7 LEU . 19831 1 15 -6 VAL . 19831 1 16 -5 PRO . 19831 1 17 -4 ARG . 19831 1 18 -3 GLY . 19831 1 19 -2 SER . 19831 1 20 -1 HIS . 19831 1 21 0 MET . 19831 1 22 1 ASP . 19831 1 23 2 VAL . 19831 1 24 3 LYS . 19831 1 25 4 VAL . 19831 1 26 5 GLN . 19831 1 27 6 TYR . 19831 1 28 7 LEU . 19831 1 29 8 CYS . 19831 1 30 9 GLU . 19831 1 31 10 ASN . 19831 1 32 11 THR . 19831 1 33 12 GLN . 19831 1 34 13 THR . 19831 1 35 14 SER . 19831 1 36 15 THR . 19831 1 37 16 GLN . 19831 1 38 17 GLU . 19831 1 39 18 ILE . 19831 1 40 19 LYS . 19831 1 41 20 GLY . 19831 1 42 21 LYS . 19831 1 43 22 PHE . 19831 1 44 23 ASN . 19831 1 45 24 ILE . 19831 1 46 25 VAL . 19831 1 47 26 ASN . 19831 1 48 27 THR . 19831 1 49 28 GLY . 19831 1 50 29 ASN . 19831 1 51 30 ARG . 19831 1 52 31 ASP . 19831 1 53 32 TYR . 19831 1 54 33 SER . 19831 1 55 34 LEU . 19831 1 56 35 LYS . 19831 1 57 36 ASP . 19831 1 58 37 ILE . 19831 1 59 38 VAL . 19831 1 60 39 LEU . 19831 1 61 40 ARG . 19831 1 62 41 TYR . 19831 1 63 42 TYR . 19831 1 64 43 PHE . 19831 1 65 44 THR . 19831 1 66 45 LYS . 19831 1 67 46 GLU . 19831 1 68 47 HIS . 19831 1 69 48 ASN . 19831 1 70 49 SER . 19831 1 71 50 GLN . 19831 1 72 51 LEU . 19831 1 73 52 GLN . 19831 1 74 53 PHE . 19831 1 75 54 ILE . 19831 1 76 55 CYS . 19831 1 77 56 TYR . 19831 1 78 57 TYR . 19831 1 79 58 THR . 19831 1 80 59 PRO . 19831 1 81 60 ILE . 19831 1 82 61 GLY . 19831 1 83 62 SER . 19831 1 84 63 GLY . 19831 1 85 64 ASN . 19831 1 86 65 LEU . 19831 1 87 66 ILE . 19831 1 88 67 PRO . 19831 1 89 68 SER . 19831 1 90 69 PHE . 19831 1 91 70 GLY . 19831 1 92 71 GLY . 19831 1 93 72 SER . 19831 1 94 73 GLY . 19831 1 95 74 ASP . 19831 1 96 75 GLU . 19831 1 97 76 HIS . 19831 1 98 77 TYR . 19831 1 99 78 LEU . 19831 1 100 79 GLN . 19831 1 101 80 LEU . 19831 1 102 81 GLU . 19831 1 103 82 PHE . 19831 1 104 83 LYS . 19831 1 105 84 ASP . 19831 1 106 85 VAL . 19831 1 107 86 LYS . 19831 1 108 87 LEU . 19831 1 109 88 PRO . 19831 1 110 89 ALA . 19831 1 111 90 GLY . 19831 1 112 91 GLY . 19831 1 113 92 GLN . 19831 1 114 93 THR . 19831 1 115 94 GLY . 19831 1 116 95 GLU . 19831 1 117 96 ILE . 19831 1 118 97 GLN . 19831 1 119 98 PHE . 19831 1 120 99 VAL . 19831 1 121 100 ILE . 19831 1 122 101 ARG . 19831 1 123 102 TYR . 19831 1 124 103 ALA . 19831 1 125 104 ASP . 19831 1 126 105 ASN . 19831 1 127 106 SER . 19831 1 128 107 PHE . 19831 1 129 108 HIS . 19831 1 130 109 ASP . 19831 1 131 110 GLN . 19831 1 132 111 SER . 19831 1 133 112 ASN . 19831 1 134 113 ASP . 19831 1 135 114 TYR . 19831 1 136 115 SER . 19831 1 137 116 PHE . 19831 1 138 117 ASP . 19831 1 139 118 PRO . 19831 1 140 119 THR . 19831 1 141 120 ILE . 19831 1 142 121 LYS . 19831 1 143 122 ALA . 19831 1 144 123 PHE . 19831 1 145 124 GLN . 19831 1 146 125 ASP . 19831 1 147 126 TYR . 19831 1 148 127 GLY . 19831 1 149 128 LYS . 19831 1 150 129 VAL . 19831 1 151 130 THR . 19831 1 152 131 LEU . 19831 1 153 132 TYR . 19831 1 154 133 LYS . 19831 1 155 134 ASN . 19831 1 156 135 GLY . 19831 1 157 136 GLU . 19831 1 158 137 LEU . 19831 1 159 138 VAL . 19831 1 160 139 TRP . 19831 1 161 140 GLY . 19831 1 162 141 THR . 19831 1 163 142 PRO . 19831 1 164 143 PRO . 19831 1 165 144 GLY . 19831 1 166 145 GLY . 19831 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 19831 1 . GLY 2 2 19831 1 . SER 3 3 19831 1 . SER 4 4 19831 1 . HIS 5 5 19831 1 . HIS 6 6 19831 1 . HIS 7 7 19831 1 . HIS 8 8 19831 1 . HIS 9 9 19831 1 . HIS 10 10 19831 1 . SER 11 11 19831 1 . SER 12 12 19831 1 . GLY 13 13 19831 1 . LEU 14 14 19831 1 . VAL 15 15 19831 1 . PRO 16 16 19831 1 . ARG 17 17 19831 1 . GLY 18 18 19831 1 . SER 19 19 19831 1 . HIS 20 20 19831 1 . MET 21 21 19831 1 . ASP 22 22 19831 1 . VAL 23 23 19831 1 . LYS 24 24 19831 1 . VAL 25 25 19831 1 . GLN 26 26 19831 1 . TYR 27 27 19831 1 . LEU 28 28 19831 1 . CYS 29 29 19831 1 . GLU 30 30 19831 1 . ASN 31 31 19831 1 . THR 32 32 19831 1 . GLN 33 33 19831 1 . THR 34 34 19831 1 . SER 35 35 19831 1 . THR 36 36 19831 1 . GLN 37 37 19831 1 . GLU 38 38 19831 1 . ILE 39 39 19831 1 . LYS 40 40 19831 1 . GLY 41 41 19831 1 . LYS 42 42 19831 1 . PHE 43 43 19831 1 . ASN 44 44 19831 1 . ILE 45 45 19831 1 . VAL 46 46 19831 1 . ASN 47 47 19831 1 . THR 48 48 19831 1 . GLY 49 49 19831 1 . ASN 50 50 19831 1 . ARG 51 51 19831 1 . ASP 52 52 19831 1 . TYR 53 53 19831 1 . SER 54 54 19831 1 . LEU 55 55 19831 1 . LYS 56 56 19831 1 . ASP 57 57 19831 1 . ILE 58 58 19831 1 . VAL 59 59 19831 1 . LEU 60 60 19831 1 . ARG 61 61 19831 1 . TYR 62 62 19831 1 . TYR 63 63 19831 1 . PHE 64 64 19831 1 . THR 65 65 19831 1 . LYS 66 66 19831 1 . GLU 67 67 19831 1 . HIS 68 68 19831 1 . ASN 69 69 19831 1 . SER 70 70 19831 1 . GLN 71 71 19831 1 . LEU 72 72 19831 1 . GLN 73 73 19831 1 . PHE 74 74 19831 1 . ILE 75 75 19831 1 . CYS 76 76 19831 1 . TYR 77 77 19831 1 . TYR 78 78 19831 1 . THR 79 79 19831 1 . PRO 80 80 19831 1 . ILE 81 81 19831 1 . GLY 82 82 19831 1 . SER 83 83 19831 1 . GLY 84 84 19831 1 . ASN 85 85 19831 1 . LEU 86 86 19831 1 . ILE 87 87 19831 1 . PRO 88 88 19831 1 . SER 89 89 19831 1 . PHE 90 90 19831 1 . GLY 91 91 19831 1 . GLY 92 92 19831 1 . SER 93 93 19831 1 . GLY 94 94 19831 1 . ASP 95 95 19831 1 . GLU 96 96 19831 1 . HIS 97 97 19831 1 . TYR 98 98 19831 1 . LEU 99 99 19831 1 . GLN 100 100 19831 1 . LEU 101 101 19831 1 . GLU 102 102 19831 1 . PHE 103 103 19831 1 . LYS 104 104 19831 1 . ASP 105 105 19831 1 . VAL 106 106 19831 1 . LYS 107 107 19831 1 . LEU 108 108 19831 1 . PRO 109 109 19831 1 . ALA 110 110 19831 1 . GLY 111 111 19831 1 . GLY 112 112 19831 1 . GLN 113 113 19831 1 . THR 114 114 19831 1 . GLY 115 115 19831 1 . GLU 116 116 19831 1 . ILE 117 117 19831 1 . GLN 118 118 19831 1 . PHE 119 119 19831 1 . VAL 120 120 19831 1 . ILE 121 121 19831 1 . ARG 122 122 19831 1 . TYR 123 123 19831 1 . ALA 124 124 19831 1 . ASP 125 125 19831 1 . ASN 126 126 19831 1 . SER 127 127 19831 1 . PHE 128 128 19831 1 . HIS 129 129 19831 1 . ASP 130 130 19831 1 . GLN 131 131 19831 1 . SER 132 132 19831 1 . ASN 133 133 19831 1 . ASP 134 134 19831 1 . TYR 135 135 19831 1 . SER 136 136 19831 1 . PHE 137 137 19831 1 . ASP 138 138 19831 1 . PRO 139 139 19831 1 . THR 140 140 19831 1 . ILE 141 141 19831 1 . LYS 142 142 19831 1 . ALA 143 143 19831 1 . PHE 144 144 19831 1 . GLN 145 145 19831 1 . ASP 146 146 19831 1 . TYR 147 147 19831 1 . GLY 148 148 19831 1 . LYS 149 149 19831 1 . VAL 150 150 19831 1 . THR 151 151 19831 1 . LEU 152 152 19831 1 . TYR 153 153 19831 1 . LYS 154 154 19831 1 . ASN 155 155 19831 1 . GLY 156 156 19831 1 . GLU 157 157 19831 1 . LEU 158 158 19831 1 . VAL 159 159 19831 1 . TRP 160 160 19831 1 . GLY 161 161 19831 1 . THR 162 162 19831 1 . PRO 163 163 19831 1 . PRO 164 164 19831 1 . GLY 165 165 19831 1 . GLY 166 166 19831 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 19831 _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 $CBM3b-Cbh9A . 1515 organism . 'Clostridium thermocellum' 'Clostridium thermocellum' . . Bacteria . Clostridium thermocellum . . . . . . . . . . . . . . . . CbhA . . . . 19831 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 19831 _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 $CBM3b-Cbh9A . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pET-28a(+) . . . . . . 19831 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19831 _Sample.ID 1 _Sample.Type solid _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system 'Tris buffer' _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 CBM3b-Cbh9A '[2-13C] glycerol' . . 1 $CBM3b-Cbh9A . . 30 . . mg/mL . . . . 19831 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19831 _Sample.ID 2 _Sample.Type solid _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system 'Tris buffer' _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 CBM3b-Cbh9A '[U-100% 13C; U-100% 15N]' . . 1 $CBM3b-Cbh9A . . 30 . . mg/mL . . . . 19831 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 19831 _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' 0.4 . M 19831 1 pH 7.5 . pH 19831 1 pressure 1 . atm 19831 1 temperature 273 . K 19831 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19831 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.113 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19831 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19831 1 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 19831 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance-III _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 19831 _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 Avance-III . 600 . . . 19831 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 19831 _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 13C-13C DARR' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19831 1 2 '2D 15N-15N PDSD' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19831 1 3 '2D 13C-13C DARR' no . . . . . . . . . . 2 $sample_2 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19831 1 4 '3D NCACX' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19831 1 5 '3D NCOCX' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19831 1 6 '2D NCA' no . . . . . . . . . . 1 $sample_1 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19831 1 7 '3D NCACX' no . . . . . . . . . . 2 $sample_2 solid . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19831 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 19831 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 adamantane 'methyl carbon' . . . . ppm 40.48 external direct 1 . . . . . . . . . 19831 1 N 15 'ammonium chloride' nitrogen . . . . ppm 39.27 external direct 1 . . . . . . . . . 19831 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 19831 _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 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _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 13C-13C DARR' . . . 19831 1 2 '2D 15N-15N PDSD' . . . 19831 1 3 '2D 13C-13C DARR' . . . 19831 1 4 '3D NCACX' . . . 19831 1 5 '3D NCOCX' . . . 19831 1 6 '2D NCA' . . . 19831 1 7 '3D NCACX' . . . 19831 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 19831 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 23 23 VAL C C 13 173.4 0.3 . 1 . . . . 2 VAL C . 19831 1 2 . 1 1 23 23 VAL CA C 13 60.7 0.3 . 1 . . . . 2 VAL CA . 19831 1 3 . 1 1 23 23 VAL CB C 13 35.6 0.3 . 1 . . . . 2 VAL CB . 19831 1 4 . 1 1 23 23 VAL CG1 C 13 22.1 0.3 . 2 . . . . 2 VAL CG1 . 19831 1 5 . 1 1 23 23 VAL CG2 C 13 22.1 0.3 . 2 . . . . 2 VAL CG2 . 19831 1 6 . 1 1 23 23 VAL N N 15 126.4 0.4 . 1 . . . . 2 VAL N . 19831 1 7 . 1 1 24 24 LYS C C 13 173.1 0.3 . 1 . . . . 3 LYS C . 19831 1 8 . 1 1 24 24 LYS CA C 13 54.3 0.3 . 1 . . . . 3 LYS CA . 19831 1 9 . 1 1 24 24 LYS CB C 13 35.4 0.3 . 1 . . . . 3 LYS CB . 19831 1 10 . 1 1 24 24 LYS CG C 13 24.3 0.3 . 1 . . . . 3 LYS CG . 19831 1 11 . 1 1 24 24 LYS CD C 13 29.7 0.3 . 1 . . . . 3 LYS CD . 19831 1 12 . 1 1 24 24 LYS CE C 13 42.5 0.3 . 1 . . . . 3 LYS CE . 19831 1 13 . 1 1 24 24 LYS N N 15 119.8 0.4 . 1 . . . . 3 LYS N . 19831 1 14 . 1 1 25 25 VAL C C 13 174.2 0.3 . 1 . . . . 4 VAL C . 19831 1 15 . 1 1 25 25 VAL CA C 13 59.9 0.3 . 1 . . . . 4 VAL CA . 19831 1 16 . 1 1 25 25 VAL CB C 13 35.3 0.3 . 1 . . . . 4 VAL CB . 19831 1 17 . 1 1 25 25 VAL CG1 C 13 23.9 0.3 . 2 . . . . 4 VAL CG1 . 19831 1 18 . 1 1 25 25 VAL CG2 C 13 21.7 0.3 . 2 . . . . 4 VAL CG2 . 19831 1 19 . 1 1 25 25 VAL N N 15 114.5 0.4 . 1 . . . . 4 VAL N . 19831 1 20 . 1 1 26 26 GLN C C 13 174.6 0.3 . 1 . . . . 5 GLN C . 19831 1 21 . 1 1 26 26 GLN CA C 13 53.3 0.3 . 1 . . . . 5 GLN CA . 19831 1 22 . 1 1 26 26 GLN CB C 13 32.3 0.3 . 1 . . . . 5 GLN CB . 19831 1 23 . 1 1 26 26 GLN CG C 13 34.8 0.3 . 1 . . . . 5 GLN CG . 19831 1 24 . 1 1 26 26 GLN CD C 13 180.2 0.3 . 1 . . . . 5 GLN CD . 19831 1 25 . 1 1 26 26 GLN N N 15 120.8 0.4 . 1 . . . . 5 GLN N . 19831 1 26 . 1 1 27 27 TYR C C 13 172.7 0.3 . 1 . . . . 6 TYR C . 19831 1 27 . 1 1 27 27 TYR CA C 13 54.9 0.3 . 1 . . . . 6 TYR CA . 19831 1 28 . 1 1 27 27 TYR CB C 13 46.9 0.3 . 1 . . . . 6 TYR CB . 19831 1 29 . 1 1 27 27 TYR CG C 13 129.3 0.3 . 1 . . . . 6 TYR CG . 19831 1 30 . 1 1 27 27 TYR CE1 C 13 117.2 0.3 . 3 . . . . 6 TYR CE1 . 19831 1 31 . 1 1 27 27 TYR CE2 C 13 117.2 0.3 . 3 . . . . 6 TYR CE2 . 19831 1 32 . 1 1 27 27 TYR N N 15 124.3 0.4 . 1 . . . . 6 TYR N . 19831 1 33 . 1 1 28 28 LEU C C 13 172.9 0.3 . 1 . . . . 7 LEU C . 19831 1 34 . 1 1 28 28 LEU CA C 13 55.2 0.3 . 1 . . . . 7 LEU CA . 19831 1 35 . 1 1 28 28 LEU CB C 13 45.5 0.3 . 1 . . . . 7 LEU CB . 19831 1 36 . 1 1 28 28 LEU CG C 13 26.2 0.3 . 1 . . . . 7 LEU CG . 19831 1 37 . 1 1 28 28 LEU N N 15 122.7 0.4 . 1 . . . . 7 LEU N . 19831 1 38 . 1 1 29 29 CYS C C 13 174.3 0.3 . 1 . . . . 8 CYS C . 19831 1 39 . 1 1 29 29 CYS CA C 13 59.8 0.3 . 1 . . . . 8 CYS CA . 19831 1 40 . 1 1 29 29 CYS CB C 13 28.9 0.3 . 1 . . . . 8 CYS CB . 19831 1 41 . 1 1 29 29 CYS N N 15 123.4 0.4 . 1 . . . . 8 CYS N . 19831 1 42 . 1 1 30 30 GLU C C 13 175.8 0.3 . 1 . . . . 9 GLU C . 19831 1 43 . 1 1 30 30 GLU CA C 13 57.6 0.3 . 1 . . . . 9 GLU CA . 19831 1 44 . 1 1 30 30 GLU CB C 13 31.6 0.3 . 1 . . . . 9 GLU CB . 19831 1 45 . 1 1 30 30 GLU CG C 13 36.9 0.3 . 1 . . . . 9 GLU CG . 19831 1 46 . 1 1 30 30 GLU CD C 13 180.4 0.3 . 1 . . . . 9 GLU CD . 19831 1 47 . 1 1 30 30 GLU N N 15 126.2 0.4 . 1 . . . . 9 GLU N . 19831 1 48 . 1 1 31 31 ASN C C 13 176.4 0.3 . 1 . . . . 10 ASN C . 19831 1 49 . 1 1 31 31 ASN CA C 13 53.4 0.3 . 1 . . . . 10 ASN CA . 19831 1 50 . 1 1 31 31 ASN CB C 13 39.6 0.3 . 1 . . . . 10 ASN CB . 19831 1 51 . 1 1 31 31 ASN CG C 13 179.6 0.3 . 1 . . . . 10 ASN CG . 19831 1 52 . 1 1 31 31 ASN N N 15 116.2 0.4 . 1 . . . . 10 ASN N . 19831 1 53 . 1 1 32 32 THR C C 13 174.8 0.3 . 1 . . . . 11 THR C . 19831 1 54 . 1 1 32 32 THR CA C 13 61.1 0.3 . 1 . . . . 11 THR CA . 19831 1 55 . 1 1 32 32 THR CB C 13 69.0 0.3 . 1 . . . . 11 THR CB . 19831 1 56 . 1 1 32 32 THR CG2 C 13 22.9 0.3 . 1 . . . . 11 THR CG2 . 19831 1 57 . 1 1 32 32 THR N N 15 117.6 0.4 . 1 . . . . 11 THR N . 19831 1 58 . 1 1 33 33 GLN C C 13 177.2 0.3 . 1 . . . . 12 GLN C . 19831 1 59 . 1 1 33 33 GLN CA C 13 56.3 0.3 . 1 . . . . 12 GLN CA . 19831 1 60 . 1 1 33 33 GLN CB C 13 30.8 0.3 . 1 . . . . 12 GLN CB . 19831 1 61 . 1 1 33 33 GLN CG C 13 34.4 0.3 . 1 . . . . 12 GLN CG . 19831 1 62 . 1 1 33 33 GLN CD C 13 181.6 0.3 . 1 . . . . 12 GLN CD . 19831 1 63 . 1 1 33 33 GLN N N 15 125.1 0.4 . 1 . . . . 12 GLN N . 19831 1 64 . 1 1 33 33 GLN NE2 N 15 113.3 0.4 . 1 . . . . 12 GLN NE2 . 19831 1 65 . 1 1 34 34 THR C C 13 173.9 0.3 . 1 . . . . 13 THR C . 19831 1 66 . 1 1 34 34 THR CA C 13 67.8 0.3 . 1 . . . . 13 THR CA . 19831 1 67 . 1 1 34 34 THR CB C 13 68.6 0.3 . 1 . . . . 13 THR CB . 19831 1 68 . 1 1 34 34 THR CG2 C 13 24.1 0.3 . 1 . . . . 13 THR CG2 . 19831 1 69 . 1 1 34 34 THR N N 15 121.0 0.4 . 1 . . . . 13 THR N . 19831 1 70 . 1 1 35 35 SER C C 13 175.0 0.3 . 1 . . . . 14 SER C . 19831 1 71 . 1 1 35 35 SER CA C 13 56.7 0.3 . 1 . . . . 14 SER CA . 19831 1 72 . 1 1 35 35 SER CB C 13 63.6 0.3 . 1 . . . . 14 SER CB . 19831 1 73 . 1 1 35 35 SER N N 15 114.3 0.4 . 1 . . . . 14 SER N . 19831 1 74 . 1 1 36 36 THR C C 13 172.4 0.3 . 1 . . . . 15 THR C . 19831 1 75 . 1 1 36 36 THR CA C 13 58.9 0.3 . 1 . . . . 15 THR CA . 19831 1 76 . 1 1 36 36 THR CB C 13 70.7 0.3 . 1 . . . . 15 THR CB . 19831 1 77 . 1 1 36 36 THR CG2 C 13 19.0 0.3 . 1 . . . . 15 THR CG2 . 19831 1 78 . 1 1 36 36 THR N N 15 120.9 0.3 . 1 . . . . 15 THR N . 19831 1 79 . 1 1 37 37 GLN C C 13 176.0 0.3 . 1 . . . . 16 GLN C . 19831 1 80 . 1 1 37 37 GLN CA C 13 56.5 0.3 . 1 . . . . 16 GLN CA . 19831 1 81 . 1 1 37 37 GLN CB C 13 30.9 0.3 . 1 . . . . 16 GLN CB . 19831 1 82 . 1 1 37 37 GLN CG C 13 33.9 0.3 . 1 . . . . 16 GLN CG . 19831 1 83 . 1 1 37 37 GLN CD C 13 182.4 0.3 . 1 . . . . 16 GLN CD . 19831 1 84 . 1 1 37 37 GLN N N 15 124.9 0.4 . 1 . . . . 16 GLN N . 19831 1 85 . 1 1 37 37 GLN NE2 N 15 112.7 0.4 . 1 . . . . 16 GLN NE2 . 19831 1 86 . 1 1 38 38 GLU C C 13 175.1 0.3 . 1 . . . . 17 GLU C . 19831 1 87 . 1 1 38 38 GLU CA C 13 54.7 0.3 . 1 . . . . 17 GLU CA . 19831 1 88 . 1 1 38 38 GLU CB C 13 32.4 0.3 . 1 . . . . 17 GLU CB . 19831 1 89 . 1 1 38 38 GLU N N 15 116.9 0.4 . 1 . . . . 17 GLU N . 19831 1 90 . 1 1 39 39 ILE C C 13 174.2 0.3 . 1 . . . . 18 ILE C . 19831 1 91 . 1 1 39 39 ILE CA C 13 61.6 0.3 . 1 . . . . 18 ILE CA . 19831 1 92 . 1 1 39 39 ILE CB C 13 39.3 0.3 . 1 . . . . 18 ILE CB . 19831 1 93 . 1 1 39 39 ILE CG1 C 13 28.1 0.3 . 1 . . . . 18 ILE CG1 . 19831 1 94 . 1 1 39 39 ILE CG2 C 13 17.2 0.3 . 5 . . . . 18 ILE CG2 . 19831 1 95 . 1 1 39 39 ILE CD1 C 13 13.9 0.3 . 1 . . . . 18 ILE CD1 . 19831 1 96 . 1 1 39 39 ILE N N 15 127.8 0.4 . 1 . . . . 18 ILE N . 19831 1 97 . 1 1 40 40 LYS N N 15 125.4 0.4 . 1 . . . . 19 LYS N . 19831 1 98 . 1 1 44 44 ASN C C 13 177.4 0.3 . 1 . . . . 23 ASN C . 19831 1 99 . 1 1 44 44 ASN CA C 13 54.5 0.3 . 1 . . . . 23 ASN CA . 19831 1 100 . 1 1 44 44 ASN CB C 13 40.2 0.3 . 1 . . . . 23 ASN CB . 19831 1 101 . 1 1 44 44 ASN CG C 13 180.2 0.3 . 1 . . . . 23 ASN CG . 19831 1 102 . 1 1 44 44 ASN N N 15 122.9 0.4 . 1 . . . . 23 ASN N . 19831 1 103 . 1 1 45 45 ILE C C 13 174.0 0.3 . 1 . . . . 24 ILE C . 19831 1 104 . 1 1 45 45 ILE CA C 13 61.6 0.3 . 1 . . . . 24 ILE CA . 19831 1 105 . 1 1 45 45 ILE CB C 13 38.5 0.3 . 1 . . . . 24 ILE CB . 19831 1 106 . 1 1 45 45 ILE CG1 C 13 28.2 0.3 . 1 . . . . 24 ILE CG1 . 19831 1 107 . 1 1 45 45 ILE CG2 C 13 17.3 0.3 . 1 . . . . 24 ILE CG2 . 19831 1 108 . 1 1 45 45 ILE CD1 C 13 14.5 0.3 . 1 . . . . 24 ILE CD1 . 19831 1 109 . 1 1 45 45 ILE N N 15 129.4 0.4 . 1 . . . . 24 ILE N . 19831 1 110 . 1 1 46 46 VAL C C 13 174.4 0.3 . 1 . . . . 25 VAL C . 19831 1 111 . 1 1 46 46 VAL CA C 13 61.2 0.3 . 1 . . . . 25 VAL CA . 19831 1 112 . 1 1 46 46 VAL CB C 13 35.2 0.3 . 1 . . . . 25 VAL CB . 19831 1 113 . 1 1 46 46 VAL CG1 C 13 21.3 0.3 . 2 . . . . 25 VAL CG1 . 19831 1 114 . 1 1 46 46 VAL CG2 C 13 20.3 0.3 . 2 . . . . 25 VAL CG2 . 19831 1 115 . 1 1 46 46 VAL N N 15 125.6 0.4 . 1 . . . . 25 VAL N . 19831 1 116 . 1 1 47 47 ASN C C 13 176.7 0.3 . 1 . . . . 26 ASN C . 19831 1 117 . 1 1 47 47 ASN CA C 13 52.2 0.3 . 1 . . . . 26 ASN CA . 19831 1 118 . 1 1 47 47 ASN CB C 13 39.1 0.3 . 1 . . . . 26 ASN CB . 19831 1 119 . 1 1 47 47 ASN CG C 13 183.8 0.3 . 1 . . . . 26 ASN CG . 19831 1 120 . 1 1 47 47 ASN N N 15 125.3 0.4 . 1 . . . . 26 ASN N . 19831 1 121 . 1 1 47 47 ASN ND2 N 15 112.4 0.4 . 1 . . . . 26 ASN ND2 . 19831 1 122 . 1 1 48 48 THR C C 13 175.9 0.3 . 1 . . . . 27 THR C . 19831 1 123 . 1 1 48 48 THR CA C 13 61.2 0.3 . 1 . . . . 27 THR CA . 19831 1 124 . 1 1 48 48 THR CB C 13 68.5 0.3 . 1 . . . . 27 THR CB . 19831 1 125 . 1 1 48 48 THR CG2 C 13 22.1 0.3 . 1 . . . . 27 THR CG2 . 19831 1 126 . 1 1 48 48 THR N N 15 115.8 0.4 . 1 . . . . 27 THR N . 19831 1 127 . 1 1 49 49 GLY C C 13 174.6 0.3 . 1 . . . . 28 GLY C . 19831 1 128 . 1 1 49 49 GLY CA C 13 45.5 0.3 . 1 . . . . 28 GLY CA . 19831 1 129 . 1 1 49 49 GLY N N 15 111.9 0.4 . 1 . . . . 28 GLY N . 19831 1 130 . 1 1 50 50 ASN C C 13 173.8 0.3 . 1 . . . . 29 ASN C . 19831 1 131 . 1 1 50 50 ASN CA C 13 54.0 0.3 . 1 . . . . 29 ASN CA . 19831 1 132 . 1 1 50 50 ASN CB C 13 39.5 0.3 . 1 . . . . 29 ASN CB . 19831 1 133 . 1 1 50 50 ASN CG C 13 177.0 0.3 . 1 . . . . 29 ASN CG . 19831 1 134 . 1 1 50 50 ASN N N 15 114.8 0.4 . 1 . . . . 29 ASN N . 19831 1 135 . 1 1 54 54 SER C C 13 176.9 0.3 . 1 . . . . 33 SER C . 19831 1 136 . 1 1 54 54 SER CA C 13 56.1 0.3 . 1 . . . . 33 SER CA . 19831 1 137 . 1 1 54 54 SER CB C 13 64.0 0.3 . 1 . . . . 33 SER CB . 19831 1 138 . 1 1 57 57 ASP C C 13 174.2 0.3 . 1 . . . . 36 ASP C . 19831 1 139 . 1 1 57 57 ASP CA C 13 53.6 0.3 . 1 . . . . 36 ASP CA . 19831 1 140 . 1 1 57 57 ASP CB C 13 41.2 0.3 . 1 . . . . 36 ASP CB . 19831 1 141 . 1 1 57 57 ASP N N 15 116.9 0.4 . 1 . . . . 36 ASP N . 19831 1 142 . 1 1 58 58 ILE C C 13 176.1 0.3 . 1 . . . . 37 ILE C . 19831 1 143 . 1 1 58 58 ILE CA C 13 61.8 0.3 . 1 . . . . 37 ILE CA . 19831 1 144 . 1 1 58 58 ILE CB C 13 39.3 0.3 . 1 . . . . 37 ILE CB . 19831 1 145 . 1 1 58 58 ILE CG1 C 13 26.7 0.3 . 1 . . . . 37 ILE CG1 . 19831 1 146 . 1 1 58 58 ILE CG2 C 13 17.2 0.3 . 5 . . . . 37 ILE CG2 . 19831 1 147 . 1 1 58 58 ILE CD1 C 13 13.4 0.3 . 1 . . . . 37 ILE CD1 . 19831 1 148 . 1 1 58 58 ILE N N 15 127.7 0.4 . 1 . . . . 37 ILE N . 19831 1 149 . 1 1 59 59 VAL C C 13 174.1 0.3 . 1 . . . . 38 VAL C . 19831 1 150 . 1 1 59 59 VAL CA C 13 60.7 0.3 . 1 . . . . 38 VAL CA . 19831 1 151 . 1 1 59 59 VAL CB C 13 35.9 0.3 . 1 . . . . 38 VAL CB . 19831 1 152 . 1 1 59 59 VAL CG1 C 13 21.7 0.3 . 2 . . . . 38 VAL CG1 . 19831 1 153 . 1 1 59 59 VAL CG2 C 13 22.5 0.3 . 2 . . . . 38 VAL CG2 . 19831 1 154 . 1 1 59 59 VAL N N 15 126.3 0.4 . 1 . . . . 38 VAL N . 19831 1 155 . 1 1 60 60 LEU C C 13 177.0 0.3 . 1 . . . . 39 LEU C . 19831 1 156 . 1 1 60 60 LEU CA C 13 53.5 0.3 . 1 . . . . 39 LEU CA . 19831 1 157 . 1 1 60 60 LEU CB C 13 46.8 0.3 . 1 . . . . 39 LEU CB . 19831 1 158 . 1 1 60 60 LEU CG C 13 27.3 0.3 . 1 . . . . 39 LEU CG . 19831 1 159 . 1 1 60 60 LEU CD1 C 13 24.3 0.3 . 2 . . . . 39 LEU CD1 . 19831 1 160 . 1 1 60 60 LEU CD2 C 13 26.8 0.3 . 2 . . . . 39 LEU CD2 . 19831 1 161 . 1 1 60 60 LEU N N 15 130.4 0.4 . 1 . . . . 39 LEU N . 19831 1 162 . 1 1 61 61 ARG C C 13 172.8 0.3 . 1 . . . . 40 ARG C . 19831 1 163 . 1 1 61 61 ARG CA C 13 55.9 0.3 . 1 . . . . 40 ARG CA . 19831 1 164 . 1 1 61 61 ARG CB C 13 33.5 0.3 . 1 . . . . 40 ARG CB . 19831 1 165 . 1 1 61 61 ARG CG C 13 29.5 0.3 . 1 . . . . 40 ARG CG . 19831 1 166 . 1 1 61 61 ARG CD C 13 43.1 0.3 . 1 . . . . 40 ARG CD . 19831 1 167 . 1 1 61 61 ARG CZ C 13 158.9 0.3 . 1 . . . . 40 ARG CZ . 19831 1 168 . 1 1 61 61 ARG N N 15 123.0 0.4 . 1 . . . . 40 ARG N . 19831 1 169 . 1 1 61 61 ARG NE N 15 85.2 0.4 . 1 . . . . 40 ARG NE . 19831 1 170 . 1 1 61 61 ARG NH1 N 15 72.8 0.4 . 2 . . . . 40 ARG NH1 . 19831 1 171 . 1 1 61 61 ARG NH2 N 15 69.9 0.4 . 2 . . . . 40 ARG NH2 . 19831 1 172 . 1 1 62 62 TYR C C 13 174.9 0.3 . 1 . . . . 41 TYR C . 19831 1 173 . 1 1 62 62 TYR CA C 13 57.3 0.3 . 1 . . . . 41 TYR CA . 19831 1 174 . 1 1 62 62 TYR CB C 13 42.7 0.3 . 1 . . . . 41 TYR CB . 19831 1 175 . 1 1 62 62 TYR CG C 13 129.4 0.3 . 1 . . . . 41 TYR CG . 19831 1 176 . 1 1 62 62 TYR CE1 C 13 119.2 0.3 . 3 . . . . 41 TYR CE1 . 19831 1 177 . 1 1 62 62 TYR CE2 C 13 119.2 0.3 . 3 . . . . 41 TYR CE2 . 19831 1 178 . 1 1 62 62 TYR N N 15 121.3 0.4 . 1 . . . . 41 TYR N . 19831 1 179 . 1 1 63 63 TYR C C 13 175.0 0.3 . 1 . . . . 42 TYR C . 19831 1 180 . 1 1 63 63 TYR CA C 13 58.9 0.3 . 1 . . . . 42 TYR CA . 19831 1 181 . 1 1 63 63 TYR CB C 13 40.0 0.3 . 1 . . . . 42 TYR CB . 19831 1 182 . 1 1 63 63 TYR CG C 13 131.4 0.3 . 1 . . . . 42 TYR CG . 19831 1 183 . 1 1 63 63 TYR CE1 C 13 118.1 0.3 . 3 . . . . 42 TYR CE1 . 19831 1 184 . 1 1 63 63 TYR CE2 C 13 118.1 0.3 . 3 . . . . 42 TYR CE2 . 19831 1 185 . 1 1 63 63 TYR N N 15 127.6 0.4 . 1 . . . . 42 TYR N . 19831 1 186 . 1 1 64 64 PHE C C 13 173.3 0.3 . 1 . . . . 43 PHE C . 19831 1 187 . 1 1 64 64 PHE CA C 13 56.3 0.3 . 1 . . . . 43 PHE CA . 19831 1 188 . 1 1 64 64 PHE CB C 13 40.8 0.3 . 1 . . . . 43 PHE CB . 19831 1 189 . 1 1 64 64 PHE CG C 13 139.9 0.3 . 1 . . . . 43 PHE CG . 19831 1 190 . 1 1 64 64 PHE CE1 C 13 133.0 0.3 . 3 . . . . 43 PHE CE1 . 19831 1 191 . 1 1 64 64 PHE CE2 C 13 133.0 0.3 . 3 . . . . 43 PHE CE2 . 19831 1 192 . 1 1 64 64 PHE N N 15 118.8 0.4 . 1 . . . . 43 PHE N . 19831 1 193 . 1 1 65 65 THR C C 13 173.2 0.3 . 1 . . . . 44 THR C . 19831 1 194 . 1 1 65 65 THR CA C 13 62.8 0.3 . 1 . . . . 44 THR CA . 19831 1 195 . 1 1 65 65 THR CB C 13 70.7 0.3 . 1 . . . . 44 THR CB . 19831 1 196 . 1 1 65 65 THR CG2 C 13 22.5 0.3 . 1 . . . . 44 THR CG2 . 19831 1 197 . 1 1 65 65 THR N N 15 119.0 0.4 . 1 . . . . 44 THR N . 19831 1 198 . 1 1 69 69 ASN C C 13 175.3 0.3 . 1 . . . . 48 ASN C . 19831 1 199 . 1 1 69 69 ASN CA C 13 53.9 0.3 . 1 . . . . 48 ASN CA . 19831 1 200 . 1 1 69 69 ASN CB C 13 38.1 0.3 . 1 . . . . 48 ASN CB . 19831 1 201 . 1 1 69 69 ASN CG C 13 177.6 0.3 . 1 . . . . 48 ASN CG . 19831 1 202 . 1 1 69 69 ASN N N 15 121.4 0.4 . 1 . . . . 48 ASN N . 19831 1 203 . 1 1 69 69 ASN ND2 N 15 114.0 0.4 . 1 . . . . 48 ASN ND2 . 19831 1 204 . 1 1 70 70 SER C C 13 173.9 0.3 . 1 . . . . 49 SER C . 19831 1 205 . 1 1 70 70 SER CA C 13 58.0 0.3 . 1 . . . . 49 SER CA . 19831 1 206 . 1 1 70 70 SER CB C 13 64.5 0.3 . 1 . . . . 49 SER CB . 19831 1 207 . 1 1 70 70 SER N N 15 114.9 0.4 . 1 . . . . 49 SER N . 19831 1 208 . 1 1 71 71 GLN C C 13 176.6 0.3 . 1 . . . . 50 GLN C . 19831 1 209 . 1 1 71 71 GLN CA C 13 57.1 0.3 . 1 . . . . 50 GLN CA . 19831 1 210 . 1 1 71 71 GLN CB C 13 30.1 0.3 . 1 . . . . 50 GLN CB . 19831 1 211 . 1 1 71 71 GLN CG C 13 34.0 0.3 . 1 . . . . 50 GLN CG . 19831 1 212 . 1 1 71 71 GLN CD C 13 181.1 0.3 . 1 . . . . 50 GLN CD . 19831 1 213 . 1 1 71 71 GLN N N 15 122.4 0.4 . 1 . . . . 50 GLN N . 19831 1 214 . 1 1 72 72 LEU C C 13 176.2 0.3 . 1 . . . . 51 LEU C . 19831 1 215 . 1 1 72 72 LEU CA C 13 54.5 0.3 . 1 . . . . 51 LEU CA . 19831 1 216 . 1 1 72 72 LEU CB C 13 43.9 0.3 . 1 . . . . 51 LEU CB . 19831 1 217 . 1 1 72 72 LEU CG C 13 27.0 0.3 . 1 . . . . 51 LEU CG . 19831 1 218 . 1 1 72 72 LEU CD1 C 13 23.6 0.3 . 2 . . . . 51 LEU CD1 . 19831 1 219 . 1 1 72 72 LEU CD2 C 13 23.6 0.3 . 2 . . . . 51 LEU CD2 . 19831 1 220 . 1 1 72 72 LEU N N 15 125.3 0.4 . 1 . . . . 51 LEU N . 19831 1 221 . 1 1 73 73 GLN C C 13 174.2 0.3 . 1 . . . . 52 GLN C . 19831 1 222 . 1 1 73 73 GLN CA C 13 54.7 0.3 . 1 . . . . 52 GLN CA . 19831 1 223 . 1 1 73 73 GLN CB C 13 32.6 0.3 . 1 . . . . 52 GLN CB . 19831 1 224 . 1 1 73 73 GLN CD C 13 178.6 0.3 . 1 . . . . 52 GLN CD . 19831 1 225 . 1 1 73 73 GLN N N 15 118.2 0.4 . 1 . . . . 52 GLN N . 19831 1 226 . 1 1 74 74 PHE C C 13 174.9 0.3 . 1 . . . . 53 PHE C . 19831 1 227 . 1 1 74 74 PHE CA C 13 56.3 0.3 . 1 . . . . 53 PHE CA . 19831 1 228 . 1 1 74 74 PHE CB C 13 42.0 0.3 . 1 . . . . 53 PHE CB . 19831 1 229 . 1 1 74 74 PHE CG C 13 139.1 0.3 . 1 . . . . 53 PHE CG . 19831 1 230 . 1 1 74 74 PHE N N 15 122.8 0.4 . 1 . . . . 53 PHE N . 19831 1 231 . 1 1 75 75 ILE C C 13 173.8 0.3 . 1 . . . . 54 ILE C . 19831 1 232 . 1 1 75 75 ILE CA C 13 60.5 0.3 . 1 . . . . 54 ILE CA . 19831 1 233 . 1 1 75 75 ILE CB C 13 42.2 0.3 . 1 . . . . 54 ILE CB . 19831 1 234 . 1 1 75 75 ILE CG1 C 13 27.8 0.3 . 1 . . . . 54 ILE CG1 . 19831 1 235 . 1 1 75 75 ILE CG2 C 13 19.4 0.3 . 1 . . . . 54 ILE CG2 . 19831 1 236 . 1 1 75 75 ILE N N 15 127.6 0.4 . 1 . . . . 54 ILE N . 19831 1 237 . 1 1 76 76 CYS C C 13 176.0 0.3 . 1 . . . . 55 CYS C . 19831 1 238 . 1 1 76 76 CYS CA C 13 57.5 0.3 . 1 . . . . 55 CYS CA . 19831 1 239 . 1 1 76 76 CYS CB C 13 30.1 0.3 . 1 . . . . 55 CYS CB . 19831 1 240 . 1 1 76 76 CYS N N 15 125.8 0.4 . 1 . . . . 55 CYS N . 19831 1 241 . 1 1 77 77 TYR C C 13 175.2 0.3 . 1 . . . . 56 TYR C . 19831 1 242 . 1 1 77 77 TYR CA C 13 55.9 0.3 . 1 . . . . 56 TYR CA . 19831 1 243 . 1 1 77 77 TYR CB C 13 39.7 0.3 . 1 . . . . 56 TYR CB . 19831 1 244 . 1 1 77 77 TYR CG C 13 130.7 0.3 . 1 . . . . 56 TYR CG . 19831 1 245 . 1 1 77 77 TYR CE1 C 13 118.1 0.3 . 3 . . . . 56 TYR CE1 . 19831 1 246 . 1 1 77 77 TYR CE2 C 13 118.1 0.3 . 3 . . . . 56 TYR CE2 . 19831 1 247 . 1 1 77 77 TYR N N 15 118.1 0.4 . 1 . . . . 56 TYR N . 19831 1 248 . 1 1 78 78 TYR C C 13 174.7 0.3 . 1 . . . . 57 TYR C . 19831 1 249 . 1 1 78 78 TYR CA C 13 58.4 0.3 . 1 . . . . 57 TYR CA . 19831 1 250 . 1 1 78 78 TYR CB C 13 41.1 0.3 . 1 . . . . 57 TYR CB . 19831 1 251 . 1 1 78 78 TYR CG C 13 130.8 0.3 . 1 . . . . 57 TYR CG . 19831 1 252 . 1 1 78 78 TYR CE1 C 13 117.9 0.3 . 3 . . . . 57 TYR CE1 . 19831 1 253 . 1 1 78 78 TYR CE2 C 13 117.9 0.3 . 3 . . . . 57 TYR CE2 . 19831 1 254 . 1 1 78 78 TYR N N 15 117.7 0.4 . 1 . . . . 57 TYR N . 19831 1 255 . 1 1 79 79 THR C C 13 173.1 0.3 . 1 . . . . 58 THR C . 19831 1 256 . 1 1 79 79 THR CA C 13 58.6 0.3 . 1 . . . . 58 THR CA . 19831 1 257 . 1 1 79 79 THR CB C 13 70.0 0.3 . 1 . . . . 58 THR CB . 19831 1 258 . 1 1 79 79 THR CG2 C 13 19.0 0.3 . 1 . . . . 58 THR CG2 . 19831 1 259 . 1 1 79 79 THR N N 15 120.9 0.4 . 1 . . . . 58 THR N . 19831 1 260 . 1 1 80 80 PRO C C 13 177.9 0.3 . 1 . . . . 59 PRO C . 19831 1 261 . 1 1 80 80 PRO CA C 13 64.0 0.3 . 1 . . . . 59 PRO CA . 19831 1 262 . 1 1 80 80 PRO CB C 13 33.7 0.3 . 1 . . . . 59 PRO CB . 19831 1 263 . 1 1 80 80 PRO CG C 13 27.6 0.3 . 1 . . . . 59 PRO CG . 19831 1 264 . 1 1 80 80 PRO CD C 13 53.1 0.3 . 1 . . . . 59 PRO CD . 19831 1 265 . 1 1 80 80 PRO N N 15 141.9 0.4 . 1 . . . . 59 PRO N . 19831 1 266 . 1 1 81 81 ILE C C 13 176.6 0.3 . 1 . . . . 60 ILE C . 19831 1 267 . 1 1 81 81 ILE CA C 13 62.8 0.3 . 1 . . . . 60 ILE CA . 19831 1 268 . 1 1 81 81 ILE CB C 13 39.3 0.3 . 1 . . . . 60 ILE CB . 19831 1 269 . 1 1 81 81 ILE CG1 C 13 25.8 0.3 . 1 . . . . 60 ILE CG1 . 19831 1 270 . 1 1 81 81 ILE CG2 C 13 18.3 0.3 . 1 . . . . 60 ILE CG2 . 19831 1 271 . 1 1 81 81 ILE CD1 C 13 14.6 0.3 . 1 . . . . 60 ILE CD1 . 19831 1 272 . 1 1 81 81 ILE N N 15 108.7 0.4 . 1 . . . . 60 ILE N . 19831 1 273 . 1 1 82 82 GLY C C 13 175.3 0.3 . 1 . . . . 61 GLY C . 19831 1 274 . 1 1 82 82 GLY CA C 13 45.0 0.3 . 1 . . . . 61 GLY CA . 19831 1 275 . 1 1 82 82 GLY N N 15 110.2 0.4 . 1 . . . . 61 GLY N . 19831 1 276 . 1 1 83 83 SER C C 13 177.1 0.3 . 1 . . . . 62 SER C . 19831 1 277 . 1 1 83 83 SER CA C 13 61.6 0.3 . 1 . . . . 62 SER CA . 19831 1 278 . 1 1 83 83 SER CB C 13 62.9 0.3 . 1 . . . . 62 SER CB . 19831 1 279 . 1 1 83 83 SER N N 15 124.8 0.4 . 1 . . . . 62 SER N . 19831 1 280 . 1 1 84 84 GLY C C 13 174.5 0.3 . 1 . . . . 63 GLY C . 19831 1 281 . 1 1 84 84 GLY CA C 13 45.8 0.3 . 1 . . . . 63 GLY CA . 19831 1 282 . 1 1 84 84 GLY N N 15 110.5 0.4 . 1 . . . . 63 GLY N . 19831 1 283 . 1 1 85 85 ASN C C 13 173.8 0.3 . 1 . . . . 64 ASN C . 19831 1 284 . 1 1 85 85 ASN CA C 13 54.1 0.3 . 1 . . . . 64 ASN CA . 19831 1 285 . 1 1 85 85 ASN CB C 13 39.6 0.3 . 1 . . . . 64 ASN CB . 19831 1 286 . 1 1 85 85 ASN N N 15 115.0 0.4 . 1 . . . . 64 ASN N . 19831 1 287 . 1 1 86 86 LEU C C 13 176.9 0.3 . 1 . . . . 65 LEU C . 19831 1 288 . 1 1 86 86 LEU CA C 13 54.5 0.3 . 1 . . . . 65 LEU CA . 19831 1 289 . 1 1 86 86 LEU CB C 13 44.2 0.3 . 1 . . . . 65 LEU CB . 19831 1 290 . 1 1 86 86 LEU CG C 13 28.5 0.3 . 1 . . . . 65 LEU CG . 19831 1 291 . 1 1 86 86 LEU N N 15 118.4 0.4 . 1 . . . . 65 LEU N . 19831 1 292 . 1 1 87 87 ILE C C 13 174.3 0.3 . 1 . . . . 66 ILE C . 19831 1 293 . 1 1 87 87 ILE CA C 13 58.6 0.3 . 1 . . . . 66 ILE CA . 19831 1 294 . 1 1 87 87 ILE CB C 13 39.4 0.3 . 1 . . . . 66 ILE CB . 19831 1 295 . 1 1 87 87 ILE CG1 C 13 26.6 0.3 . 1 . . . . 66 ILE CG1 . 19831 1 296 . 1 1 87 87 ILE CG2 C 13 17.9 0.3 . 1 . . . . 66 ILE CG2 . 19831 1 297 . 1 1 87 87 ILE CD1 C 13 14.5 0.3 . 1 . . . . 66 ILE CD1 . 19831 1 298 . 1 1 87 87 ILE N N 15 121.5 0.4 . 1 . . . . 66 ILE N . 19831 1 299 . 1 1 88 88 PRO C C 13 176.6 0.3 . 1 . . . . 67 PRO C . 19831 1 300 . 1 1 88 88 PRO CA C 13 61.4 0.3 . 1 . . . . 67 PRO CA . 19831 1 301 . 1 1 88 88 PRO CB C 13 33.0 0.3 . 1 . . . . 67 PRO CB . 19831 1 302 . 1 1 88 88 PRO CG C 13 26.9 0.3 . 1 . . . . 67 PRO CG . 19831 1 303 . 1 1 88 88 PRO CD C 13 50.6 0.3 . 1 . . . . 67 PRO CD . 19831 1 304 . 1 1 88 88 PRO N N 15 141.4 0.4 . 1 . . . . 67 PRO N . 19831 1 305 . 1 1 89 89 SER C C 13 171.1 0.3 . 1 . . . . 68 SER C . 19831 1 306 . 1 1 89 89 SER CA C 13 58.5 0.3 . 1 . . . . 68 SER CA . 19831 1 307 . 1 1 89 89 SER CB C 13 65.5 0.3 . 1 . . . . 68 SER CB . 19831 1 308 . 1 1 89 89 SER N N 15 114.9 0.4 . 1 . . . . 68 SER N . 19831 1 309 . 1 1 90 90 PHE C C 13 176.3 0.3 . 1 . . . . 69 PHE C . 19831 1 310 . 1 1 90 90 PHE CA C 13 56.6 0.3 . 1 . . . . 69 PHE CA . 19831 1 311 . 1 1 90 90 PHE CB C 13 43.2 0.3 . 1 . . . . 69 PHE CB . 19831 1 312 . 1 1 90 90 PHE CG C 13 141.6 0.3 . 1 . . . . 69 PHE CG . 19831 1 313 . 1 1 90 90 PHE CE1 C 13 130.5 0.3 . 3 . . . . 69 PHE CE1 . 19831 1 314 . 1 1 90 90 PHE CE2 C 13 130.5 0.3 . 3 . . . . 69 PHE CE2 . 19831 1 315 . 1 1 90 90 PHE N N 15 115.5 0.4 . 1 . . . . 69 PHE N . 19831 1 316 . 1 1 91 91 GLY C C 13 170.9 0.3 . 1 . . . . 70 GLY C . 19831 1 317 . 1 1 91 91 GLY CA C 13 44.5 0.3 . 1 . . . . 70 GLY CA . 19831 1 318 . 1 1 91 91 GLY N N 15 106.9 0.4 . 1 . . . . 70 GLY N . 19831 1 319 . 1 1 92 92 GLY N N 15 103.5 0.4 . 1 . . . . 71 GLY N . 19831 1 320 . 1 1 92 92 GLY CA C 13 44.6 0.3 . 1 . . . . 71 GLY CA . 19831 1 321 . 1 1 107 107 LYS C C 13 175.5 0.3 . 1 . . . . 86 LYS C . 19831 1 322 . 1 1 107 107 LYS CA C 13 57.8 0.3 . 1 . . . . 86 LYS CA . 19831 1 323 . 1 1 107 107 LYS CB C 13 33.1 0.3 . 1 . . . . 86 LYS CB . 19831 1 324 . 1 1 107 107 LYS CG C 13 25.3 0.3 . 1 . . . . 86 LYS CG . 19831 1 325 . 1 1 107 107 LYS N N 15 127.9 0.4 . 1 . . . . 86 LYS N . 19831 1 326 . 1 1 108 108 LEU C C 13 172.8 0.3 . 1 . . . . 87 LEU C . 19831 1 327 . 1 1 108 108 LEU CA C 13 51.0 0.3 . 1 . . . . 87 LEU CA . 19831 1 328 . 1 1 108 108 LEU CB C 13 43.0 0.3 . 1 . . . . 87 LEU CB . 19831 1 329 . 1 1 108 108 LEU CG C 13 27.7 0.3 . 1 . . . . 87 LEU CG . 19831 1 330 . 1 1 108 108 LEU CD1 C 13 26.8 0.3 . 2 . . . . 87 LEU CD1 . 19831 1 331 . 1 1 108 108 LEU CD2 C 13 22.5 0.3 . 2 . . . . 87 LEU CD2 . 19831 1 332 . 1 1 108 108 LEU N N 15 126.0 0.4 . 1 . . . . 87 LEU N . 19831 1 333 . 1 1 109 109 PRO C C 13 175.3 0.3 . 1 . . . . 88 PRO C . 19831 1 334 . 1 1 109 109 PRO CA C 13 62.5 0.3 . 1 . . . . 88 PRO CA . 19831 1 335 . 1 1 109 109 PRO CB C 13 33.1 0.3 . 1 . . . . 88 PRO CB . 19831 1 336 . 1 1 109 109 PRO CG C 13 27.8 0.3 . 1 . . . . 88 PRO CG . 19831 1 337 . 1 1 109 109 PRO CD C 13 51.8 0.3 . 1 . . . . 88 PRO CD . 19831 1 338 . 1 1 109 109 PRO N N 15 138.3 0.4 . 1 . . . . 88 PRO N . 19831 1 339 . 1 1 110 110 ALA C C 13 177.8 0.3 . 1 . . . . 89 ALA C . 19831 1 340 . 1 1 110 110 ALA CA C 13 53.5 0.3 . 1 . . . . 89 ALA CA . 19831 1 341 . 1 1 110 110 ALA CB C 13 18.4 0.3 . 1 . . . . 89 ALA CB . 19831 1 342 . 1 1 110 110 ALA N N 15 126.1 0.4 . 1 . . . . 89 ALA N . 19831 1 343 . 1 1 111 111 GLY C C 13 174.5 0.3 . 1 . . . . 90 GLY C . 19831 1 344 . 1 1 111 111 GLY CA C 13 46.4 0.3 . 1 . . . . 90 GLY CA . 19831 1 345 . 1 1 111 111 GLY N N 15 109.4 0.4 . 1 . . . . 90 GLY N . 19831 1 346 . 1 1 112 112 GLY C C 13 171.1 0.3 . 1 . . . . 91 GLY C . 19831 1 347 . 1 1 112 112 GLY CA C 13 44.4 0.3 . 1 . . . . 91 GLY CA . 19831 1 348 . 1 1 112 112 GLY N N 15 109.0 0.4 . 1 . . . . 91 GLY N . 19831 1 349 . 1 1 113 113 GLN C C 13 175.7 0.3 . 1 . . . . 92 GLN C . 19831 1 350 . 1 1 113 113 GLN CA C 13 53.1 0.3 . 1 . . . . 92 GLN CA . 19831 1 351 . 1 1 113 113 GLN CB C 13 32.6 0.3 . 1 . . . . 92 GLN CB . 19831 1 352 . 1 1 113 113 GLN CD C 13 181.2 0.3 . 1 . . . . 92 GLN CD . 19831 1 353 . 1 1 113 113 GLN N N 15 109.9 0.4 . 1 . . . . 92 GLN N . 19831 1 354 . 1 1 113 113 GLN NE2 N 15 111.7 0.4 . 1 . . . . 92 GLN NE2 . 19831 1 355 . 1 1 114 114 THR C C 13 179.6 0.3 . 1 . . . . 93 THR C . 19831 1 356 . 1 1 114 114 THR CA C 13 64.1 0.3 . 1 . . . . 93 THR CA . 19831 1 357 . 1 1 114 114 THR CB C 13 70.5 0.3 . 1 . . . . 93 THR CB . 19831 1 358 . 1 1 114 114 THR CG2 C 13 23.9 0.3 . 1 . . . . 93 THR CG2 . 19831 1 359 . 1 1 114 114 THR N N 15 109.9 0.4 . 1 . . . . 93 THR N . 19831 1 360 . 1 1 115 115 GLY C C 13 174.3 0.3 . 1 . . . . 94 GLY C . 19831 1 361 . 1 1 115 115 GLY CA C 13 44.5 0.3 . 1 . . . . 94 GLY CA . 19831 1 362 . 1 1 115 115 GLY N N 15 106.5 0.4 . 1 . . . . 94 GLY N . 19831 1 363 . 1 1 116 116 GLU C C 13 176.4 0.3 . 1 . . . . 95 GLU C . 19831 1 364 . 1 1 116 116 GLU CA C 13 56.8 0.3 . 1 . . . . 95 GLU CA . 19831 1 365 . 1 1 116 116 GLU CB C 13 32.4 0.3 . 1 . . . . 95 GLU CB . 19831 1 366 . 1 1 116 116 GLU CG C 13 36.0 0.3 . 1 . . . . 95 GLU CG . 19831 1 367 . 1 1 116 116 GLU CD C 13 180.8 0.3 . 1 . . . . 95 GLU CD . 19831 1 368 . 1 1 116 116 GLU N N 15 113.3 0.4 . 1 . . . . 95 GLU N . 19831 1 369 . 1 1 117 117 ILE C C 13 176.3 0.3 . 1 . . . . 96 ILE C . 19831 1 370 . 1 1 117 117 ILE CA C 13 61.6 0.3 . 1 . . . . 96 ILE CA . 19831 1 371 . 1 1 117 117 ILE CB C 13 41.0 0.3 . 1 . . . . 96 ILE CB . 19831 1 372 . 1 1 117 117 ILE CG1 C 13 26.8 0.3 . 1 . . . . 96 ILE CG1 . 19831 1 373 . 1 1 117 117 ILE CG2 C 13 18.4 0.3 . 1 . . . . 96 ILE CG2 . 19831 1 374 . 1 1 117 117 ILE CD1 C 13 14.5 0.3 . 1 . . . . 96 ILE CD1 . 19831 1 375 . 1 1 117 117 ILE N N 15 122.4 0.4 . 1 . . . . 96 ILE N . 19831 1 376 . 1 1 118 118 GLN C C 13 174.8 0.3 . 1 . . . . 97 GLN C . 19831 1 377 . 1 1 118 118 GLN CA C 13 56.5 0.3 . 1 . . . . 97 GLN CA . 19831 1 378 . 1 1 118 118 GLN CB C 13 29.3 0.3 . 1 . . . . 97 GLN CB . 19831 1 379 . 1 1 118 118 GLN CG C 13 34.0 0.3 . 1 . . . . 97 GLN CG . 19831 1 380 . 1 1 118 118 GLN CD C 13 181.3 0.3 . 1 . . . . 97 GLN CD . 19831 1 381 . 1 1 118 118 GLN N N 15 126.4 0.4 . 1 . . . . 97 GLN N . 19831 1 382 . 1 1 118 118 GLN NE2 N 15 112.3 0.4 . 1 . . . . 97 GLN NE2 . 19831 1 383 . 1 1 119 119 PHE C C 13 171.4 0.3 . 1 . . . . 98 PHE C . 19831 1 384 . 1 1 119 119 PHE CA C 13 55.8 0.3 . 1 . . . . 98 PHE CA . 19831 1 385 . 1 1 119 119 PHE CB C 13 45.1 0.3 . 1 . . . . 98 PHE CB . 19831 1 386 . 1 1 119 119 PHE CG C 13 136.8 0.3 . 1 . . . . 98 PHE CG . 19831 1 387 . 1 1 119 119 PHE N N 15 123.5 0.4 . 1 . . . . 98 PHE N . 19831 1 388 . 1 1 120 120 VAL C C 13 175.7 0.3 . 1 . . . . 99 VAL C . 19831 1 389 . 1 1 120 120 VAL CA C 13 59.9 0.3 . 1 . . . . 99 VAL CA . 19831 1 390 . 1 1 120 120 VAL CB C 13 36.3 0.3 . 1 . . . . 99 VAL CB . 19831 1 391 . 1 1 120 120 VAL CG1 C 13 21.7 0.3 . 2 . . . . 99 VAL CG1 . 19831 1 392 . 1 1 120 120 VAL CG2 C 13 21.7 0.3 . 2 . . . . 99 VAL CG2 . 19831 1 393 . 1 1 120 120 VAL N N 15 119.3 0.4 . 1 . . . . 99 VAL N . 19831 1 394 . 1 1 121 121 ILE C C 13 175.1 0.3 . 1 . . . . 100 ILE C . 19831 1 395 . 1 1 121 121 ILE CA C 13 60.2 0.3 . 1 . . . . 100 ILE CA . 19831 1 396 . 1 1 121 121 ILE CB C 13 42.2 0.3 . 1 . . . . 100 ILE CB . 19831 1 397 . 1 1 121 121 ILE CG1 C 13 26.0 0.3 . 1 . . . . 100 ILE CG1 . 19831 1 398 . 1 1 121 121 ILE CG2 C 13 20.2 0.3 . 1 . . . . 100 ILE CG2 . 19831 1 399 . 1 1 121 121 ILE CD1 C 13 15.9 0.3 . 1 . . . . 100 ILE CD1 . 19831 1 400 . 1 1 121 121 ILE N N 15 123.8 0.4 . 1 . . . . 100 ILE N . 19831 1 401 . 1 1 123 123 TYR C C 13 179.4 0.3 . 1 . . . . 102 TYR C . 19831 1 402 . 1 1 123 123 TYR CA C 13 59.5 0.3 . 1 . . . . 102 TYR CA . 19831 1 403 . 1 1 123 123 TYR CB C 13 39.8 0.3 . 1 . . . . 102 TYR CB . 19831 1 404 . 1 1 123 123 TYR CG C 13 129.2 0.3 . 1 . . . . 102 TYR CG . 19831 1 405 . 1 1 123 123 TYR CE1 C 13 118.7 0.3 . 3 . . . . 102 TYR CE1 . 19831 1 406 . 1 1 123 123 TYR CE2 C 13 118.7 0.3 . 3 . . . . 102 TYR CE2 . 19831 1 407 . 1 1 123 123 TYR N N 15 119.0 0.4 . 1 . . . . 102 TYR N . 19831 1 408 . 1 1 124 124 ALA C C 13 178.8 0.3 . 1 . . . . 103 ALA C . 19831 1 409 . 1 1 124 124 ALA CA C 13 54.5 0.3 . 1 . . . . 103 ALA CA . 19831 1 410 . 1 1 124 124 ALA CB C 13 19.0 0.3 . 1 . . . . 103 ALA CB . 19831 1 411 . 1 1 124 124 ALA N N 15 125.6 0.4 . 1 . . . . 103 ALA N . 19831 1 412 . 1 1 125 125 ASP C C 13 177.5 0.3 . 1 . . . . 104 ASP C . 19831 1 413 . 1 1 125 125 ASP CA C 13 52.5 0.3 . 1 . . . . 104 ASP CA . 19831 1 414 . 1 1 125 125 ASP CB C 13 39.9 0.3 . 1 . . . . 104 ASP CB . 19831 1 415 . 1 1 125 125 ASP CG C 13 180.8 0.3 . 1 . . . . 104 ASP CG . 19831 1 416 . 1 1 125 125 ASP N N 15 113.7 0.4 . 1 . . . . 104 ASP N . 19831 1 417 . 1 1 126 126 ASN C C 13 174.3 0.3 . 1 . . . . 105 ASN C . 19831 1 418 . 1 1 126 126 ASN CA C 13 55.6 0.3 . 1 . . . . 105 ASN CA . 19831 1 419 . 1 1 126 126 ASN CB C 13 38.2 0.3 . 1 . . . . 105 ASN CB . 19831 1 420 . 1 1 126 126 ASN CG C 13 178.2 0.3 . 1 . . . . 105 ASN CG . 19831 1 421 . 1 1 126 126 ASN N N 15 110.9 0.4 . 1 . . . . 105 ASN N . 19831 1 422 . 1 1 126 126 ASN ND2 N 15 114.9 0.4 . 1 . . . . 105 ASN ND2 . 19831 1 423 . 1 1 127 127 SER C C 13 173.6 0.3 . 1 . . . . 106 SER C . 19831 1 424 . 1 1 127 127 SER CA C 13 60.5 0.3 . 1 . . . . 106 SER CA . 19831 1 425 . 1 1 127 127 SER CB C 13 64.2 0.3 . 1 . . . . 106 SER CB . 19831 1 426 . 1 1 127 127 SER N N 15 111.1 0.4 . 1 . . . . 106 SER N . 19831 1 427 . 1 1 128 128 PHE C C 13 175.1 0.3 . 1 . . . . 107 PHE C . 19831 1 428 . 1 1 128 128 PHE CA C 13 60.5 0.3 . 1 . . . . 107 PHE CA . 19831 1 429 . 1 1 128 128 PHE CB C 13 41.1 0.3 . 1 . . . . 107 PHE CB . 19831 1 430 . 1 1 128 128 PHE CG C 13 142.6 0.3 . 1 . . . . 107 PHE CG . 19831 1 431 . 1 1 128 128 PHE CE1 C 13 131.8 0.3 . 3 . . . . 107 PHE CE1 . 19831 1 432 . 1 1 128 128 PHE CE2 C 13 131.8 0.3 . 3 . . . . 107 PHE CE2 . 19831 1 433 . 1 1 128 128 PHE N N 15 119.0 0.4 . 1 . . . . 107 PHE N . 19831 1 434 . 1 1 129 129 HIS C C 13 172.7 0.3 . 1 . . . . 108 HIS C . 19831 1 435 . 1 1 129 129 HIS CA C 13 53.2 0.3 . 1 . . . . 108 HIS CA . 19831 1 436 . 1 1 129 129 HIS CB C 13 31.8 0.3 . 1 . . . . 108 HIS CB . 19831 1 437 . 1 1 129 129 HIS CG C 13 131.1 0.3 . 1 . . . . 108 HIS CG . 19831 1 438 . 1 1 129 129 HIS CD2 C 13 118.3 0.3 . 1 . . . . 108 HIS CD2 . 19831 1 439 . 1 1 129 129 HIS N N 15 118.1 0.4 . 1 . . . . 108 HIS N . 19831 1 440 . 1 1 130 130 ASP C C 13 176.8 0.3 . 1 . . . . 109 ASP C . 19831 1 441 . 1 1 130 130 ASP CA C 13 52.3 0.3 . 1 . . . . 109 ASP CA . 19831 1 442 . 1 1 130 130 ASP CB C 13 40.8 0.3 . 1 . . . . 109 ASP CB . 19831 1 443 . 1 1 130 130 ASP CG C 13 180.1 0.3 . 1 . . . . 109 ASP CG . 19831 1 444 . 1 1 130 130 ASP N N 15 126.5 0.4 . 1 . . . . 109 ASP N . 19831 1 445 . 1 1 131 131 GLN C C 13 177.8 0.3 . 1 . . . . 110 GLN C . 19831 1 446 . 1 1 131 131 GLN CA C 13 57.4 0.3 . 1 . . . . 110 GLN CA . 19831 1 447 . 1 1 131 131 GLN CB C 13 29.3 0.3 . 1 . . . . 110 GLN CB . 19831 1 448 . 1 1 131 131 GLN CG C 13 37.6 0.3 . 1 . . . . 110 GLN CG . 19831 1 449 . 1 1 131 131 GLN CD C 13 179.4 0.3 . 1 . . . . 110 GLN CD . 19831 1 450 . 1 1 131 131 GLN N N 15 122.4 0.4 . 1 . . . . 110 GLN N . 19831 1 451 . 1 1 131 131 GLN NE2 N 15 113.4 0.4 . 1 . . . . 110 GLN NE2 . 19831 1 452 . 1 1 132 132 SER C C 13 175.4 0.3 . 1 . . . . 111 SER C . 19831 1 453 . 1 1 132 132 SER CA C 13 62.4 0.3 . 1 . . . . 111 SER CA . 19831 1 454 . 1 1 132 132 SER CB C 13 63.0 0.3 . 1 . . . . 111 SER CB . 19831 1 455 . 1 1 132 132 SER N N 15 112.7 0.4 . 1 . . . . 111 SER N . 19831 1 456 . 1 1 133 133 ASN C C 13 177.6 0.3 . 1 . . . . 112 ASN C . 19831 1 457 . 1 1 133 133 ASN CA C 13 52.8 0.3 . 1 . . . . 112 ASN CA . 19831 1 458 . 1 1 133 133 ASN CB C 13 39.7 0.3 . 1 . . . . 112 ASN CB . 19831 1 459 . 1 1 133 133 ASN N N 15 114.6 0.4 . 1 . . . . 112 ASN N . 19831 1 460 . 1 1 134 134 ASP C C 13 174.6 0.3 . 1 . . . . 113 ASP C . 19831 1 461 . 1 1 134 134 ASP CA C 13 55.0 0.3 . 1 . . . . 113 ASP CA . 19831 1 462 . 1 1 134 134 ASP CB C 13 40.0 0.3 . 1 . . . . 113 ASP CB . 19831 1 463 . 1 1 134 134 ASP CG C 13 180.3 0.3 . 1 . . . . 113 ASP CG . 19831 1 464 . 1 1 134 134 ASP N N 15 114.6 0.4 . 1 . . . . 113 ASP N . 19831 1 465 . 1 1 135 135 TYR C C 13 177.3 0.3 . 1 . . . . 114 TYR C . 19831 1 466 . 1 1 135 135 TYR CA C 13 61.6 0.3 . 1 . . . . 114 TYR CA . 19831 1 467 . 1 1 135 135 TYR CB C 13 38.4 0.3 . 1 . . . . 114 TYR CB . 19831 1 468 . 1 1 135 135 TYR CG C 13 129.5 0.3 . 1 . . . . 114 TYR CG . 19831 1 469 . 1 1 135 135 TYR CE1 C 13 118.2 0.3 . 3 . . . . 114 TYR CE1 . 19831 1 470 . 1 1 135 135 TYR CE2 C 13 118.2 0.3 . 3 . . . . 114 TYR CE2 . 19831 1 471 . 1 1 135 135 TYR N N 15 129.4 0.4 . 1 . . . . 114 TYR N . 19831 1 472 . 1 1 136 136 SER C C 13 175.2 0.3 . 1 . . . . 115 SER C . 19831 1 473 . 1 1 136 136 SER CA C 13 60.5 0.3 . 1 . . . . 115 SER CA . 19831 1 474 . 1 1 136 136 SER CB C 13 63.3 0.3 . 1 . . . . 115 SER CB . 19831 1 475 . 1 1 136 136 SER N N 15 107.5 0.4 . 1 . . . . 115 SER N . 19831 1 476 . 1 1 137 137 PHE C C 13 176.0 0.3 . 1 . . . . 116 PHE C . 19831 1 477 . 1 1 137 137 PHE CA C 13 57.7 0.3 . 1 . . . . 116 PHE CA . 19831 1 478 . 1 1 137 137 PHE CB C 13 41.1 0.3 . 1 . . . . 116 PHE CB . 19831 1 479 . 1 1 137 137 PHE CG C 13 138.4 0.3 . 1 . . . . 116 PHE CG . 19831 1 480 . 1 1 137 137 PHE CE1 C 13 130.1 0.3 . 3 . . . . 116 PHE CE1 . 19831 1 481 . 1 1 137 137 PHE CE2 C 13 130.1 0.3 . 3 . . . . 116 PHE CE2 . 19831 1 482 . 1 1 137 137 PHE N N 15 124.2 0.4 . 1 . . . . 116 PHE N . 19831 1 483 . 1 1 138 138 ASP C C 13 173.7 0.3 . 1 . . . . 117 ASP C . 19831 1 484 . 1 1 138 138 ASP CA C 13 52.0 0.3 . 1 . . . . 117 ASP CA . 19831 1 485 . 1 1 138 138 ASP CB C 13 41.8 0.3 . 1 . . . . 117 ASP CB . 19831 1 486 . 1 1 138 138 ASP CG C 13 182.0 0.3 . 1 . . . . 117 ASP CG . 19831 1 487 . 1 1 138 138 ASP N N 15 122.6 0.4 . 1 . . . . 117 ASP N . 19831 1 488 . 1 1 139 139 PRO C C 13 176.9 0.3 . 1 . . . . 118 PRO C . 19831 1 489 . 1 1 139 139 PRO CA C 13 63.2 0.3 . 1 . . . . 118 PRO CA . 19831 1 490 . 1 1 139 139 PRO CB C 13 32.1 0.3 . 1 . . . . 118 PRO CB . 19831 1 491 . 1 1 139 139 PRO CG C 13 24.9 0.3 . 1 . . . . 118 PRO CG . 19831 1 492 . 1 1 139 139 PRO CD C 13 49.1 0.3 . 1 . . . . 118 PRO CD . 19831 1 493 . 1 1 139 139 PRO N N 15 132.3 0.4 . 1 . . . . 118 PRO N . 19831 1 494 . 1 1 140 140 THR C C 13 175.8 0.3 . 1 . . . . 119 THR C . 19831 1 495 . 1 1 140 140 THR CA C 13 63.9 0.3 . 1 . . . . 119 THR CA . 19831 1 496 . 1 1 140 140 THR CB C 13 69.7 0.3 . 1 . . . . 119 THR CB . 19831 1 497 . 1 1 140 140 THR CG2 C 13 22.3 0.3 . 1 . . . . 119 THR CG2 . 19831 1 498 . 1 1 140 140 THR N N 15 110.4 0.4 . 1 . . . . 119 THR N . 19831 1 499 . 1 1 141 141 ILE C C 13 174.6 0.3 . 1 . . . . 120 ILE C . 19831 1 500 . 1 1 141 141 ILE CA C 13 60.0 0.3 . 1 . . . . 120 ILE CA . 19831 1 501 . 1 1 141 141 ILE CB C 13 41.1 0.3 . 1 . . . . 120 ILE CB . 19831 1 502 . 1 1 141 141 ILE CG1 C 13 27.9 0.3 . 1 . . . . 120 ILE CG1 . 19831 1 503 . 1 1 141 141 ILE CG2 C 13 17.9 0.3 . 1 . . . . 120 ILE CG2 . 19831 1 504 . 1 1 141 141 ILE CD1 C 13 14.5 0.3 . 1 . . . . 120 ILE CD1 . 19831 1 505 . 1 1 141 141 ILE N N 15 123.8 0.4 . 1 . . . . 120 ILE N . 19831 1 506 . 1 1 142 142 LYS C C 13 175.2 0.3 . 1 . . . . 121 LYS C . 19831 1 507 . 1 1 142 142 LYS CA C 13 55.7 0.3 . 1 . . . . 121 LYS CA . 19831 1 508 . 1 1 142 142 LYS CB C 13 33.5 0.3 . 1 . . . . 121 LYS CB . 19831 1 509 . 1 1 142 142 LYS CG C 13 25.2 0.3 . 1 . . . . 121 LYS CG . 19831 1 510 . 1 1 142 142 LYS CE C 13 42.1 0.3 . 1 . . . . 121 LYS CE . 19831 1 511 . 1 1 142 142 LYS N N 15 125.2 0.4 . 1 . . . . 121 LYS N . 19831 1 512 . 1 1 143 143 ALA C C 13 176.0 0.3 . 1 . . . . 122 ALA C . 19831 1 513 . 1 1 143 143 ALA CA C 13 50.5 0.3 . 1 . . . . 122 ALA CA . 19831 1 514 . 1 1 143 143 ALA CB C 13 22.0 0.3 . 1 . . . . 122 ALA CB . 19831 1 515 . 1 1 143 143 ALA N N 15 122.7 0.4 . 1 . . . . 122 ALA N . 19831 1 516 . 1 1 144 144 PHE C C 13 178.4 0.3 . 1 . . . . 123 PHE C . 19831 1 517 . 1 1 144 144 PHE CA C 13 60.8 0.3 . 1 . . . . 123 PHE CA . 19831 1 518 . 1 1 144 144 PHE CB C 13 39.2 0.3 . 1 . . . . 123 PHE CB . 19831 1 519 . 1 1 144 144 PHE CG C 13 140.7 0.3 . 1 . . . . 123 PHE CG . 19831 1 520 . 1 1 144 144 PHE CE1 C 13 131.4 0.3 . 3 . . . . 123 PHE CE1 . 19831 1 521 . 1 1 144 144 PHE CE2 C 13 131.4 0.3 . 3 . . . . 123 PHE CE2 . 19831 1 522 . 1 1 144 144 PHE N N 15 117.9 0.4 . 1 . . . . 123 PHE N . 19831 1 523 . 1 1 145 145 GLN C C 13 175.6 0.3 . 1 . . . . 124 GLN C . 19831 1 524 . 1 1 145 145 GLN CA C 13 54.2 0.3 . 1 . . . . 124 GLN CA . 19831 1 525 . 1 1 145 145 GLN CB C 13 33.9 0.3 . 1 . . . . 124 GLN CB . 19831 1 526 . 1 1 145 145 GLN N N 15 118.2 0.4 . 1 . . . . 124 GLN N . 19831 1 527 . 1 1 146 146 ASP C C 13 177.7 0.3 . 1 . . . . 125 ASP C . 19831 1 528 . 1 1 146 146 ASP CA C 13 56.5 0.3 . 1 . . . . 125 ASP CA . 19831 1 529 . 1 1 146 146 ASP CB C 13 40.5 0.3 . 1 . . . . 125 ASP CB . 19831 1 530 . 1 1 146 146 ASP CG C 13 178.8 0.3 . 1 . . . . 125 ASP CG . 19831 1 531 . 1 1 146 146 ASP N N 15 126.8 0.4 . 1 . . . . 125 ASP N . 19831 1 532 . 1 1 147 147 TYR C C 13 175.8 0.3 . 1 . . . . 126 TYR C . 19831 1 533 . 1 1 147 147 TYR CA C 13 57.5 0.3 . 1 . . . . 126 TYR CA . 19831 1 534 . 1 1 147 147 TYR CB C 13 43.2 0.3 . 1 . . . . 126 TYR CB . 19831 1 535 . 1 1 147 147 TYR CG C 13 128.1 0.3 . 1 . . . . 126 TYR CG . 19831 1 536 . 1 1 147 147 TYR N N 15 125.2 0.4 . 1 . . . . 126 TYR N . 19831 1 537 . 1 1 148 148 GLY C C 13 173.0 0.3 . 1 . . . . 127 GLY C . 19831 1 538 . 1 1 148 148 GLY CA C 13 45.5 0.3 . 1 . . . . 127 GLY CA . 19831 1 539 . 1 1 148 148 GLY N N 15 115.7 0.4 . 1 . . . . 127 GLY N . 19831 1 540 . 1 1 149 149 LYS C C 13 174.6 0.3 . 1 . . . . 128 LYS C . 19831 1 541 . 1 1 149 149 LYS CA C 13 56.0 0.3 . 1 . . . . 128 LYS CA . 19831 1 542 . 1 1 149 149 LYS CB C 13 31.1 0.3 . 1 . . . . 128 LYS CB . 19831 1 543 . 1 1 149 149 LYS CG C 13 25.6 0.3 . 1 . . . . 128 LYS CG . 19831 1 544 . 1 1 149 149 LYS CD C 13 28.7 0.3 . 1 . . . . 128 LYS CD . 19831 1 545 . 1 1 149 149 LYS CE C 13 45.5 0.3 . 1 . . . . 128 LYS CE . 19831 1 546 . 1 1 149 149 LYS N N 15 113.4 0.4 . 1 . . . . 128 LYS N . 19831 1 547 . 1 1 150 150 VAL C C 13 174.9 0.3 . 1 . . . . 129 VAL C . 19831 1 548 . 1 1 150 150 VAL CA C 13 61.7 0.3 . 1 . . . . 129 VAL CA . 19831 1 549 . 1 1 150 150 VAL CB C 13 35.2 0.3 . 1 . . . . 129 VAL CB . 19831 1 550 . 1 1 150 150 VAL CG1 C 13 23.1 0.3 . 2 . . . . 129 VAL CG1 . 19831 1 551 . 1 1 150 150 VAL CG2 C 13 22.6 0.3 . 2 . . . . 129 VAL CG2 . 19831 1 552 . 1 1 150 150 VAL N N 15 120.3 0.4 . 1 . . . . 129 VAL N . 19831 1 553 . 1 1 151 151 THR C C 13 175.4 0.3 . 1 . . . . 130 THR C . 19831 1 554 . 1 1 151 151 THR CA C 13 58.5 0.3 . 1 . . . . 130 THR CA . 19831 1 555 . 1 1 151 151 THR CB C 13 71.5 0.3 . 1 . . . . 130 THR CB . 19831 1 556 . 1 1 151 151 THR CG2 C 13 23.6 0.3 . 1 . . . . 130 THR CG2 . 19831 1 557 . 1 1 151 151 THR N N 15 111.1 0.4 . 1 . . . . 130 THR N . 19831 1 558 . 1 1 152 152 LEU C C 13 176.6 0.3 . 1 . . . . 131 LEU C . 19831 1 559 . 1 1 152 152 LEU CA C 13 53.4 0.3 . 1 . . . . 131 LEU CA . 19831 1 560 . 1 1 152 152 LEU CB C 13 46.8 0.3 . 1 . . . . 131 LEU CB . 19831 1 561 . 1 1 152 152 LEU CG C 13 26.8 0.3 . 1 . . . . 131 LEU CG . 19831 1 562 . 1 1 152 152 LEU N N 15 114.3 0.4 . 1 . . . . 131 LEU N . 19831 1 563 . 1 1 153 153 TYR C C 13 175.3 0.3 . 1 . . . . 132 TYR C . 19831 1 564 . 1 1 153 153 TYR CA C 13 54.2 0.3 . 1 . . . . 132 TYR CA . 19831 1 565 . 1 1 153 153 TYR CB C 13 41.4 0.3 . 1 . . . . 132 TYR CB . 19831 1 566 . 1 1 153 153 TYR CG C 13 144.3 0.3 . 1 . . . . 132 TYR CG . 19831 1 567 . 1 1 153 153 TYR N N 15 122.7 0.4 . 1 . . . . 132 TYR N . 19831 1 568 . 1 1 154 154 LYS C C 13 175.5 0.3 . 1 . . . . 133 LYS C . 19831 1 569 . 1 1 154 154 LYS CA C 13 54.3 0.3 . 1 . . . . 133 LYS CA . 19831 1 570 . 1 1 154 154 LYS CB C 13 34.0 0.3 . 1 . . . . 133 LYS CB . 19831 1 571 . 1 1 154 154 LYS N N 15 118.0 0.4 . 1 . . . . 133 LYS N . 19831 1 572 . 1 1 155 155 ASN C C 13 175.0 0.3 . 1 . . . . 134 ASN C . 19831 1 573 . 1 1 155 155 ASN CA C 13 55.3 0.3 . 1 . . . . 134 ASN CA . 19831 1 574 . 1 1 155 155 ASN CB C 13 37.8 0.3 . 1 . . . . 134 ASN CB . 19831 1 575 . 1 1 155 155 ASN CG C 13 180.4 0.3 . 1 . . . . 134 ASN CG . 19831 1 576 . 1 1 155 155 ASN N N 15 126.6 0.4 . 1 . . . . 134 ASN N . 19831 1 577 . 1 1 156 156 GLY C C 13 170.4 0.3 . 1 . . . . 135 GLY C . 19831 1 578 . 1 1 156 156 GLY CA C 13 45.7 0.3 . 1 . . . . 135 GLY CA . 19831 1 579 . 1 1 156 156 GLY N N 15 114.3 0.4 . 1 . . . . 135 GLY N . 19831 1 580 . 1 1 157 157 GLU C C 13 175.4 0.3 . 1 . . . . 136 GLU C . 19831 1 581 . 1 1 157 157 GLU CA C 13 57.9 0.3 . 1 . . . . 136 GLU CA . 19831 1 582 . 1 1 157 157 GLU CB C 13 29.5 0.3 . 1 . . . . 136 GLU CB . 19831 1 583 . 1 1 157 157 GLU CG C 13 34.8 0.3 . 1 . . . . 136 GLU CG . 19831 1 584 . 1 1 157 157 GLU CD C 13 187.0 0.3 . 1 . . . . 136 GLU CD . 19831 1 585 . 1 1 157 157 GLU N N 15 120.0 0.4 . 1 . . . . 136 GLU N . 19831 1 586 . 1 1 158 158 LEU C C 13 174.2 0.3 . 1 . . . . 137 LEU C . 19831 1 587 . 1 1 158 158 LEU CA C 13 54.6 0.3 . 1 . . . . 137 LEU CA . 19831 1 588 . 1 1 158 158 LEU CB C 13 44.5 0.3 . 1 . . . . 137 LEU CB . 19831 1 589 . 1 1 158 158 LEU CG C 13 27.5 0.3 . 1 . . . . 137 LEU CG . 19831 1 590 . 1 1 158 158 LEU N N 15 119.3 0.4 . 1 . . . . 137 LEU N . 19831 1 591 . 1 1 159 159 VAL C C 13 175.2 0.3 . 1 . . . . 138 VAL C . 19831 1 592 . 1 1 159 159 VAL CA C 13 61.1 0.3 . 1 . . . . 138 VAL CA . 19831 1 593 . 1 1 159 159 VAL CB C 13 35.4 0.3 . 1 . . . . 138 VAL CB . 19831 1 594 . 1 1 159 159 VAL CG1 C 13 21.2 0.3 . 2 . . . . 138 VAL CG1 . 19831 1 595 . 1 1 159 159 VAL CG2 C 13 21.1 0.3 . 2 . . . . 138 VAL CG2 . 19831 1 596 . 1 1 159 159 VAL N N 15 129.4 0.4 . 1 . . . . 138 VAL N . 19831 1 597 . 1 1 160 160 TRP C C 13 174.5 0.3 . 1 . . . . 139 TRP C . 19831 1 598 . 1 1 160 160 TRP CA C 13 57.8 0.3 . 1 . . . . 139 TRP CA . 19831 1 599 . 1 1 160 160 TRP CB C 13 33.1 0.3 . 1 . . . . 139 TRP CB . 19831 1 600 . 1 1 160 160 TRP CG C 13 111.9 0.3 . 1 . . . . 139 TRP CG . 19831 1 601 . 1 1 160 160 TRP CD1 C 13 125.1 0.3 . 1 . . . . 139 TRP CD1 . 19831 1 602 . 1 1 160 160 TRP CD2 C 13 129.4 0.3 . 1 . . . . 139 TRP CD2 . 19831 1 603 . 1 1 160 160 TRP CE2 C 13 139.0 0.3 . 1 . . . . 139 TRP CE2 . 19831 1 604 . 1 1 160 160 TRP CZ2 C 13 114.1 0.3 . 1 . . . . 139 TRP CZ2 . 19831 1 605 . 1 1 160 160 TRP CZ3 C 13 123.2 0.3 . 1 . . . . 139 TRP CZ3 . 19831 1 606 . 1 1 160 160 TRP N N 15 127.8 0.4 . 1 . . . . 139 TRP N . 19831 1 607 . 1 1 160 160 TRP NE1 N 15 131.0 0.4 . 1 . . . . 139 TRP NE1 . 19831 1 608 . 1 1 161 161 GLY C C 13 172.9 0.3 . 1 . . . . 140 GLY C . 19831 1 609 . 1 1 161 161 GLY CA C 13 44.1 0.3 . 1 . . . . 140 GLY CA . 19831 1 610 . 1 1 161 161 GLY N N 15 111.9 0.4 . 1 . . . . 140 GLY N . 19831 1 611 . 1 1 162 162 THR C C 13 173.0 0.3 . 1 . . . . 141 THR C . 19831 1 612 . 1 1 162 162 THR CA C 13 58.9 0.3 . 1 . . . . 141 THR CA . 19831 1 613 . 1 1 162 162 THR CB C 13 72.1 0.3 . 1 . . . . 141 THR CB . 19831 1 614 . 1 1 162 162 THR CG2 C 13 21.4 0.3 . 1 . . . . 141 THR CG2 . 19831 1 615 . 1 1 162 162 THR N N 15 112.3 0.4 . 1 . . . . 141 THR N . 19831 1 616 . 1 1 163 163 PRO C C 13 172.9 0.3 . 1 . . . . 142 PRO C . 19831 1 617 . 1 1 163 163 PRO CA C 13 61.3 0.3 . 1 . . . . 142 PRO CA . 19831 1 618 . 1 1 163 163 PRO CB C 13 30.4 0.3 . 1 . . . . 142 PRO CB . 19831 1 619 . 1 1 163 163 PRO CG C 13 26.5 0.3 . 1 . . . . 142 PRO CG . 19831 1 620 . 1 1 163 163 PRO CD C 13 51.3 0.3 . 1 . . . . 142 PRO CD . 19831 1 621 . 1 1 163 163 PRO N N 15 141.1 0.4 . 1 . . . . 142 PRO N . 19831 1 622 . 1 1 164 164 PRO C C 13 177.7 0.3 . 1 . . . . 143 PRO C . 19831 1 623 . 1 1 164 164 PRO CA C 13 63.0 0.3 . 1 . . . . 143 PRO CA . 19831 1 624 . 1 1 164 164 PRO CB C 13 30.6 0.3 . 1 . . . . 143 PRO CB . 19831 1 625 . 1 1 164 164 PRO CG C 13 26.5 0.3 . 1 . . . . 143 PRO CG . 19831 1 626 . 1 1 164 164 PRO CD C 13 51.3 0.3 . 1 . . . . 143 PRO CD . 19831 1 627 . 1 1 164 164 PRO N N 15 132.5 0.4 . 1 . . . . 143 PRO N . 19831 1 628 . 1 1 165 165 GLY C C 13 174.6 0.3 . 1 . . . . 144 GLY C . 19831 1 629 . 1 1 165 165 GLY CA C 13 45.5 0.3 . 1 . . . . 144 GLY CA . 19831 1 630 . 1 1 165 165 GLY N N 15 109.4 0.4 . 1 . . . . 144 GLY N . 19831 1 631 . 1 1 166 166 GLY C C 13 179.1 0.3 . 1 . . . . 145 GLY C . 19831 1 632 . 1 1 166 166 GLY CA C 13 46.1 0.3 . 1 . . . . 145 GLY CA . 19831 1 633 . 1 1 166 166 GLY N N 15 114.9 0.4 . 1 . . . . 145 GLY N . 19831 1 stop_ save_