data_26731 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26731 _Entry.Title ; Structural and dynamics studies of Pax5 reveal asymmetry in stability and DNA binding by the Paired domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-01-14 _Entry.Accession_date 2016-01-14 _Entry.Last_release_date 2016-07-14 _Entry.Original_release_date 2016-07-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Paired domain (residues 1-149) of Pax5 in complex with 25bp dsDNA (CD19-2_Ains)' _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.ORCID _Entry_author.Entry_ID 1 Cecilia Perez-Borrajero . . . . 26731 2 Lawrence McIntosh . P. . . 26731 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26731 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 424 26731 '15N chemical shifts' 135 26731 '1H chemical shifts' 135 26731 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 . . 2016-07-14 . original BMRB . 26731 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 26730 'Paired domain of Pax5' 26731 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26731 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27067111 _Citation.Full_citation . _Citation.Title ; Structural and Dynamics Studies of Pax5 Reveal Asymmetry in Stability and DNA Binding by the Paired Domain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 428 _Citation.Journal_issue 11 _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 2372 _Citation.Page_last 2391 _Citation.Year 2016 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Cecilia Perez-Borrajero . . . . 26731 1 2 Mark Okon . . . . 26731 1 3 Lawrence McIntosh . P. . . 26731 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 26731 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26731 _Assembly.ID 1 _Assembly.Name 'Paired domain of Pax5 in complex with DNA' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 'Paired domain of Pax5' 1 $Paired_domain_of_Pax5 A . yes native no no . 'DNA-binding domain' . 26731 1 2 DNA_1 2 $DNA_1 B . no native no no . . 'DNA name: CD19-2_Ains' 26731 1 3 DNA_2 3 $DNA_2 C . no native no no . . 'DNA name: CD19-2_Ains' 26731 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Transcriptional regulation' 26731 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Paired_domain_of_Pax5 _Entity.Sf_category entity _Entity.Sf_framecode Paired_domain_of_Pax5 _Entity.Entry_ID 26731 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Paired_domain_of_Pax5 _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 ; GHMDLEKNYPTPRTSRTGHG GVNQLGGVFVNGRPLPDVVR QRIVELAHQGVRPCDISRQL RVSHGCVSKILGRYYETGSI KPGVIGGSKPKVATPKVVEK IAEYKRQNPTMFAWEIRDRL LAERVCDNDTVPSVSSINRI IRTKVQQPPNQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; M=1 D=2 L=3 ... ; _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 151 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Paired domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Residues 1-149 of Pax5 and two non-native N-terminal residues (Gly-His).' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'DNA binding transcription factor' 26731 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 -2 GLY . 26731 1 2 -1 HIS . 26731 1 3 1 MET . 26731 1 4 2 ASP . 26731 1 5 3 LEU . 26731 1 6 4 GLU . 26731 1 7 5 LYS . 26731 1 8 6 ASN . 26731 1 9 7 TYR . 26731 1 10 8 PRO . 26731 1 11 9 THR . 26731 1 12 10 PRO . 26731 1 13 11 ARG . 26731 1 14 12 THR . 26731 1 15 13 SER . 26731 1 16 14 ARG . 26731 1 17 15 THR . 26731 1 18 16 GLY . 26731 1 19 17 HIS . 26731 1 20 18 GLY . 26731 1 21 19 GLY . 26731 1 22 20 VAL . 26731 1 23 21 ASN . 26731 1 24 22 GLN . 26731 1 25 23 LEU . 26731 1 26 24 GLY . 26731 1 27 25 GLY . 26731 1 28 26 VAL . 26731 1 29 27 PHE . 26731 1 30 28 VAL . 26731 1 31 29 ASN . 26731 1 32 30 GLY . 26731 1 33 31 ARG . 26731 1 34 32 PRO . 26731 1 35 33 LEU . 26731 1 36 34 PRO . 26731 1 37 35 ASP . 26731 1 38 36 VAL . 26731 1 39 37 VAL . 26731 1 40 38 ARG . 26731 1 41 39 GLN . 26731 1 42 40 ARG . 26731 1 43 41 ILE . 26731 1 44 42 VAL . 26731 1 45 43 GLU . 26731 1 46 44 LEU . 26731 1 47 45 ALA . 26731 1 48 46 HIS . 26731 1 49 47 GLN . 26731 1 50 48 GLY . 26731 1 51 49 VAL . 26731 1 52 50 ARG . 26731 1 53 51 PRO . 26731 1 54 52 CYS . 26731 1 55 53 ASP . 26731 1 56 54 ILE . 26731 1 57 55 SER . 26731 1 58 56 ARG . 26731 1 59 57 GLN . 26731 1 60 58 LEU . 26731 1 61 59 ARG . 26731 1 62 60 VAL . 26731 1 63 61 SER . 26731 1 64 62 HIS . 26731 1 65 63 GLY . 26731 1 66 64 CYS . 26731 1 67 65 VAL . 26731 1 68 66 SER . 26731 1 69 67 LYS . 26731 1 70 68 ILE . 26731 1 71 69 LEU . 26731 1 72 70 GLY . 26731 1 73 71 ARG . 26731 1 74 72 TYR . 26731 1 75 73 TYR . 26731 1 76 74 GLU . 26731 1 77 75 THR . 26731 1 78 76 GLY . 26731 1 79 77 SER . 26731 1 80 78 ILE . 26731 1 81 79 LYS . 26731 1 82 80 PRO . 26731 1 83 81 GLY . 26731 1 84 82 VAL . 26731 1 85 83 ILE . 26731 1 86 84 GLY . 26731 1 87 85 GLY . 26731 1 88 86 SER . 26731 1 89 87 LYS . 26731 1 90 88 PRO . 26731 1 91 89 LYS . 26731 1 92 90 VAL . 26731 1 93 91 ALA . 26731 1 94 92 THR . 26731 1 95 93 PRO . 26731 1 96 94 LYS . 26731 1 97 95 VAL . 26731 1 98 96 VAL . 26731 1 99 97 GLU . 26731 1 100 98 LYS . 26731 1 101 99 ILE . 26731 1 102 100 ALA . 26731 1 103 101 GLU . 26731 1 104 102 TYR . 26731 1 105 103 LYS . 26731 1 106 104 ARG . 26731 1 107 105 GLN . 26731 1 108 106 ASN . 26731 1 109 107 PRO . 26731 1 110 108 THR . 26731 1 111 109 MET . 26731 1 112 110 PHE . 26731 1 113 111 ALA . 26731 1 114 112 TRP . 26731 1 115 113 GLU . 26731 1 116 114 ILE . 26731 1 117 115 ARG . 26731 1 118 116 ASP . 26731 1 119 117 ARG . 26731 1 120 118 LEU . 26731 1 121 119 LEU . 26731 1 122 120 ALA . 26731 1 123 121 GLU . 26731 1 124 122 ARG . 26731 1 125 123 VAL . 26731 1 126 124 CYS . 26731 1 127 125 ASP . 26731 1 128 126 ASN . 26731 1 129 127 ASP . 26731 1 130 128 THR . 26731 1 131 129 VAL . 26731 1 132 130 PRO . 26731 1 133 131 SER . 26731 1 134 132 VAL . 26731 1 135 133 SER . 26731 1 136 134 SER . 26731 1 137 135 ILE . 26731 1 138 136 ASN . 26731 1 139 137 ARG . 26731 1 140 138 ILE . 26731 1 141 139 ILE . 26731 1 142 140 ARG . 26731 1 143 141 THR . 26731 1 144 142 LYS . 26731 1 145 143 VAL . 26731 1 146 144 GLN . 26731 1 147 145 GLN . 26731 1 148 146 PRO . 26731 1 149 147 PRO . 26731 1 150 148 ASN . 26731 1 151 149 GLN . 26731 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 . GLY 1 1 26731 1 . HIS 2 2 26731 1 . MET 3 3 26731 1 . ASP 4 4 26731 1 . LEU 5 5 26731 1 . GLU 6 6 26731 1 . LYS 7 7 26731 1 . ASN 8 8 26731 1 . TYR 9 9 26731 1 . PRO 10 10 26731 1 . THR 11 11 26731 1 . PRO 12 12 26731 1 . ARG 13 13 26731 1 . THR 14 14 26731 1 . SER 15 15 26731 1 . ARG 16 16 26731 1 . THR 17 17 26731 1 . GLY 18 18 26731 1 . HIS 19 19 26731 1 . GLY 20 20 26731 1 . GLY 21 21 26731 1 . VAL 22 22 26731 1 . ASN 23 23 26731 1 . GLN 24 24 26731 1 . LEU 25 25 26731 1 . GLY 26 26 26731 1 . GLY 27 27 26731 1 . VAL 28 28 26731 1 . PHE 29 29 26731 1 . VAL 30 30 26731 1 . ASN 31 31 26731 1 . GLY 32 32 26731 1 . ARG 33 33 26731 1 . PRO 34 34 26731 1 . LEU 35 35 26731 1 . PRO 36 36 26731 1 . ASP 37 37 26731 1 . VAL 38 38 26731 1 . VAL 39 39 26731 1 . ARG 40 40 26731 1 . GLN 41 41 26731 1 . ARG 42 42 26731 1 . ILE 43 43 26731 1 . VAL 44 44 26731 1 . GLU 45 45 26731 1 . LEU 46 46 26731 1 . ALA 47 47 26731 1 . HIS 48 48 26731 1 . GLN 49 49 26731 1 . GLY 50 50 26731 1 . VAL 51 51 26731 1 . ARG 52 52 26731 1 . PRO 53 53 26731 1 . CYS 54 54 26731 1 . ASP 55 55 26731 1 . ILE 56 56 26731 1 . SER 57 57 26731 1 . ARG 58 58 26731 1 . GLN 59 59 26731 1 . LEU 60 60 26731 1 . ARG 61 61 26731 1 . VAL 62 62 26731 1 . SER 63 63 26731 1 . HIS 64 64 26731 1 . GLY 65 65 26731 1 . CYS 66 66 26731 1 . VAL 67 67 26731 1 . SER 68 68 26731 1 . LYS 69 69 26731 1 . ILE 70 70 26731 1 . LEU 71 71 26731 1 . GLY 72 72 26731 1 . ARG 73 73 26731 1 . TYR 74 74 26731 1 . TYR 75 75 26731 1 . GLU 76 76 26731 1 . THR 77 77 26731 1 . GLY 78 78 26731 1 . SER 79 79 26731 1 . ILE 80 80 26731 1 . LYS 81 81 26731 1 . PRO 82 82 26731 1 . GLY 83 83 26731 1 . VAL 84 84 26731 1 . ILE 85 85 26731 1 . GLY 86 86 26731 1 . GLY 87 87 26731 1 . SER 88 88 26731 1 . LYS 89 89 26731 1 . PRO 90 90 26731 1 . LYS 91 91 26731 1 . VAL 92 92 26731 1 . ALA 93 93 26731 1 . THR 94 94 26731 1 . PRO 95 95 26731 1 . LYS 96 96 26731 1 . VAL 97 97 26731 1 . VAL 98 98 26731 1 . GLU 99 99 26731 1 . LYS 100 100 26731 1 . ILE 101 101 26731 1 . ALA 102 102 26731 1 . GLU 103 103 26731 1 . TYR 104 104 26731 1 . LYS 105 105 26731 1 . ARG 106 106 26731 1 . GLN 107 107 26731 1 . ASN 108 108 26731 1 . PRO 109 109 26731 1 . THR 110 110 26731 1 . MET 111 111 26731 1 . PHE 112 112 26731 1 . ALA 113 113 26731 1 . TRP 114 114 26731 1 . GLU 115 115 26731 1 . ILE 116 116 26731 1 . ARG 117 117 26731 1 . ASP 118 118 26731 1 . ARG 119 119 26731 1 . LEU 120 120 26731 1 . LEU 121 121 26731 1 . ALA 122 122 26731 1 . GLU 123 123 26731 1 . ARG 124 124 26731 1 . VAL 125 125 26731 1 . CYS 126 126 26731 1 . ASP 127 127 26731 1 . ASN 128 128 26731 1 . ASP 129 129 26731 1 . THR 130 130 26731 1 . VAL 131 131 26731 1 . PRO 132 132 26731 1 . SER 133 133 26731 1 . VAL 134 134 26731 1 . SER 135 135 26731 1 . SER 136 136 26731 1 . ILE 137 137 26731 1 . ASN 138 138 26731 1 . ARG 139 139 26731 1 . ILE 140 140 26731 1 . ILE 141 141 26731 1 . ARG 142 142 26731 1 . THR 143 143 26731 1 . LYS 144 144 26731 1 . VAL 145 145 26731 1 . GLN 146 146 26731 1 . GLN 147 147 26731 1 . PRO 148 148 26731 1 . PRO 149 149 26731 1 . ASN 150 150 26731 1 . GLN 151 151 26731 1 stop_ save_ save_DNA_1 _Entity.Sf_category entity _Entity.Sf_framecode DNA_1 _Entity.Entry_ID 26731 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name DNA_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; CGGTGGTCACGCCTCAGTGC CCCAT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 25 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment CD19-2_Ains _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'CD19 promoter site' 26731 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . DC . 26731 2 2 . DG . 26731 2 3 . DG . 26731 2 4 . DT . 26731 2 5 . DG . 26731 2 6 . DG . 26731 2 7 . DT . 26731 2 8 . DC . 26731 2 9 . DA . 26731 2 10 . DC . 26731 2 11 . DG . 26731 2 12 . DC . 26731 2 13 . DC . 26731 2 14 . DT . 26731 2 15 . DC . 26731 2 16 . DA . 26731 2 17 . DG . 26731 2 18 . DT . 26731 2 19 . DG . 26731 2 20 . DC . 26731 2 21 . DC . 26731 2 22 . DC . 26731 2 23 . DC . 26731 2 24 . DA . 26731 2 25 . DT . 26731 2 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 . DC 1 1 26731 2 . DG 2 2 26731 2 . DG 3 3 26731 2 . DT 4 4 26731 2 . DG 5 5 26731 2 . DG 6 6 26731 2 . DT 7 7 26731 2 . DC 8 8 26731 2 . DA 9 9 26731 2 . DC 10 10 26731 2 . DG 11 11 26731 2 . DC 12 12 26731 2 . DC 13 13 26731 2 . DT 14 14 26731 2 . DC 15 15 26731 2 . DA 16 16 26731 2 . DG 17 17 26731 2 . DT 18 18 26731 2 . DG 19 19 26731 2 . DC 20 20 26731 2 . DC 21 21 26731 2 . DC 22 22 26731 2 . DC 23 23 26731 2 . DA 24 24 26731 2 . DT 25 25 26731 2 stop_ save_ save_DNA_2 _Entity.Sf_category entity _Entity.Sf_framecode DNA_2 _Entity.Entry_ID 26731 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name DNA_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polydeoxyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GCCACCAGTGCGGAGTCACG GGGTA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 25 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment CD19-2_Ains _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'CD19 promoter site' 26731 3 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 . DG . 26731 3 2 . DC . 26731 3 3 . DC . 26731 3 4 . DA . 26731 3 5 . DC . 26731 3 6 . DC . 26731 3 7 . DA . 26731 3 8 . DG . 26731 3 9 . DT . 26731 3 10 . DG . 26731 3 11 . DC . 26731 3 12 . DG . 26731 3 13 . DG . 26731 3 14 . DA . 26731 3 15 . DG . 26731 3 16 . DT . 26731 3 17 . DC . 26731 3 18 . DA . 26731 3 19 . DC . 26731 3 20 . DG . 26731 3 21 . DG . 26731 3 22 . DG . 26731 3 23 . DG . 26731 3 24 . DT . 26731 3 25 . DA . 26731 3 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 . DG 1 1 26731 3 . DC 2 2 26731 3 . DC 3 3 26731 3 . DA 4 4 26731 3 . DC 5 5 26731 3 . DC 6 6 26731 3 . DA 7 7 26731 3 . DG 8 8 26731 3 . DT 9 9 26731 3 . DG 10 10 26731 3 . DC 11 11 26731 3 . DG 12 12 26731 3 . DG 13 13 26731 3 . DA 14 14 26731 3 . DG 15 15 26731 3 . DT 16 16 26731 3 . DC 17 17 26731 3 . DA 18 18 26731 3 . DC 19 19 26731 3 . DG 20 20 26731 3 . DG 21 21 26731 3 . DG 22 22 26731 3 . DG 23 23 26731 3 . DT 24 24 26731 3 . DA 25 25 26731 3 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 26731 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Paired_domain_of_Pax5 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26731 1 2 2 $DNA_1 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . 26731 1 3 3 $DNA_2 . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . 26731 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 26731 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Paired_domain_of_Pax5 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (lambdaDE3)' . . . . . pET28-MHL . . . 26731 1 2 2 $DNA_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . 26731 1 3 3 $DNA_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . 26731 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26731 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'Paired domain of Pax5' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $Paired_domain_of_Pax5 . . 0.35 . . mM . . . . 26731 1 2 DNA_1 'natural abundance' . . 2 $DNA_1 . . 0.35 . . mM . . . . 26731 1 3 DNA_2 'natural abundance' . . 3 $DNA_2 . . 0.35 . . mM . . . . 26731 1 4 MES 'natural abundance' . . . . . . 20 . . mM . . . . 26731 1 5 NaCl 'natural abundance' . . . . . . 20 . . mM . . . . 26731 1 6 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 26731 1 7 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 26731 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26731 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20 mM MES, 20 mM NaCl, 2 mM DTT, 0.5 mM EDTA' 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' 0.02 . M 26731 1 pH 6.5 . pH 26731 1 pressure 1 . atm 26731 1 temperature 298.15 . K 26731 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26731 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26731 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26731 1 'data analysis' 26731 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 26731 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'cryoprobe equipped' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 26731 _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 . 850 'cryoprobe equipped' . . 26731 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 26731 _Experiment_list.ID 1 _Experiment_list.Details 'TROSY based sequences' 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_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26731 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26731 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26731 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26731 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26731 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 26731 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 26731 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26731 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26731 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 26731 _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 'The chemical shifts have not been corrected for the TROSY effect (850 MHz magnet) or deuteration.' _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' . . . 26731 1 2 '3D CBCA(CO)NH' . . . 26731 1 3 '3D HNCACB' . . . 26731 1 4 '3D HNCO' . . . 26731 1 5 '3D HN(CO)CA' . . . 26731 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 . . 26731 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 MET C C 13 175.7 . . 1 . . . . 1 M C . 26731 1 2 . 1 1 3 3 MET CA C 13 55.1 . . 1 . . . . 1 M CA . 26731 1 3 . 1 1 3 3 MET CB C 13 31.75 . . 1 . . . . 1 M CB . 26731 1 4 . 1 1 4 4 ASP H H 1 8.309 . . 1 . . . . 2 D H . 26731 1 5 . 1 1 4 4 ASP C C 13 176.2 . . 1 . . . . 2 D C . 26731 1 6 . 1 1 4 4 ASP CA C 13 54.08 . . 1 . . . . 2 D CA . 26731 1 7 . 1 1 4 4 ASP CB C 13 40.42 . . 1 . . . . 2 D CB . 26731 1 8 . 1 1 4 4 ASP N N 15 122.1 . . 1 . . . . 2 D N . 26731 1 9 . 1 1 5 5 LEU H H 1 8.144 . . 1 . . . . 3 L H . 26731 1 10 . 1 1 5 5 LEU C C 13 177.6 . . 1 . . . . 3 L C . 26731 1 11 . 1 1 5 5 LEU CA C 13 55.1 . . 1 . . . . 3 L CA . 26731 1 12 . 1 1 5 5 LEU CB C 13 41.13 . . 1 . . . . 3 L CB . 26731 1 13 . 1 1 5 5 LEU N N 15 122.7 . . 1 . . . . 3 L N . 26731 1 14 . 1 1 6 6 GLU H H 1 8.272 . . 1 . . . . 4 E H . 26731 1 15 . 1 1 6 6 GLU C C 13 176.5 . . 1 . . . . 4 E C . 26731 1 16 . 1 1 6 6 GLU CA C 13 56.31 . . 1 . . . . 4 E CA . 26731 1 17 . 1 1 6 6 GLU CB C 13 29.1 . . 1 . . . . 4 E CB . 26731 1 18 . 1 1 6 6 GLU N N 15 120.8 . . 1 . . . . 4 E N . 26731 1 19 . 1 1 7 7 LYS H H 1 8.024 . . 1 . . . . 5 K H . 26731 1 20 . 1 1 7 7 LYS C C 13 175.9 . . 1 . . . . 5 K C . 26731 1 21 . 1 1 7 7 LYS CA C 13 55.63 . . 1 . . . . 5 K CA . 26731 1 22 . 1 1 7 7 LYS CB C 13 31.82 . . 1 . . . . 5 K CB . 26731 1 23 . 1 1 7 7 LYS N N 15 121.5 . . 1 . . . . 5 K N . 26731 1 24 . 1 1 8 8 ASN H H 1 8.207 . . 1 . . . . 6 N H . 26731 1 25 . 1 1 8 8 ASN C C 13 174.2 . . 1 . . . . 6 N C . 26731 1 26 . 1 1 8 8 ASN CA C 13 52.64 . . 1 . . . . 6 N CA . 26731 1 27 . 1 1 8 8 ASN CB C 13 38.52 . . 1 . . . . 6 N CB . 26731 1 28 . 1 1 8 8 ASN N N 15 119.4 . . 1 . . . . 6 N N . 26731 1 29 . 1 1 9 9 TYR H H 1 8.015 . . 1 . . . . 7 Y H . 26731 1 30 . 1 1 9 9 TYR C C 13 173.9 . . 1 . . . . 7 Y C . 26731 1 31 . 1 1 9 9 TYR CA C 13 55.52 . . 1 . . . . 7 Y CA . 26731 1 32 . 1 1 9 9 TYR CB C 13 37.39 . . 1 . . . . 7 Y CB . 26731 1 33 . 1 1 9 9 TYR N N 15 121.8 . . 1 . . . . 7 Y N . 26731 1 34 . 1 1 10 10 PRO C C 13 176.7 . . 1 . . . . 8 P C . 26731 1 35 . 1 1 10 10 PRO CA C 13 62.64 . . 1 . . . . 8 P CA . 26731 1 36 . 1 1 10 10 PRO CB C 13 31.09 . . 1 . . . . 8 P CB . 26731 1 37 . 1 1 11 11 THR H H 1 8.155 . . 1 . . . . 9 T H . 26731 1 38 . 1 1 11 11 THR C C 13 172.9 . . 1 . . . . 9 T C . 26731 1 39 . 1 1 11 11 THR CA C 13 59.39 . . 1 . . . . 9 T CA . 26731 1 40 . 1 1 11 11 THR CB C 13 69.2 . . 1 . . . . 9 T CB . 26731 1 41 . 1 1 11 11 THR N N 15 117.3 . . 1 . . . . 9 T N . 26731 1 42 . 1 1 12 12 PRO C C 13 177 . . 1 . . . . 10 P C . 26731 1 43 . 1 1 12 12 PRO CA C 13 62.81 . . 1 . . . . 10 P CA . 26731 1 44 . 1 1 12 12 PRO CB C 13 31.36 . . 1 . . . . 10 P CB . 26731 1 45 . 1 1 13 13 ARG H H 1 8.512 . . 1 . . . . 11 R H . 26731 1 46 . 1 1 13 13 ARG C C 13 176.7 . . 1 . . . . 11 R C . 26731 1 47 . 1 1 13 13 ARG CA C 13 55.84 . . 1 . . . . 11 R CA . 26731 1 48 . 1 1 13 13 ARG CB C 13 29.77 . . 1 . . . . 11 R CB . 26731 1 49 . 1 1 13 13 ARG N N 15 122.3 . . 1 . . . . 11 R N . 26731 1 50 . 1 1 14 14 THR H H 1 8.166 . . 1 . . . . 12 T H . 26731 1 51 . 1 1 14 14 THR C C 13 174.5 . . 1 . . . . 12 T C . 26731 1 52 . 1 1 14 14 THR CA C 13 61.29 . . 1 . . . . 12 T CA . 26731 1 53 . 1 1 14 14 THR CB C 13 69.18 . . 1 . . . . 12 T CB . 26731 1 54 . 1 1 14 14 THR N N 15 115.5 . . 1 . . . . 12 T N . 26731 1 55 . 1 1 15 15 SER H H 1 8.302 . . 1 . . . . 13 S H . 26731 1 56 . 1 1 15 15 SER C C 13 174.5 . . 1 . . . . 13 S C . 26731 1 57 . 1 1 15 15 SER CA C 13 57.84 . . 1 . . . . 13 S CA . 26731 1 58 . 1 1 15 15 SER CB C 13 63.16 . . 1 . . . . 13 S CB . 26731 1 59 . 1 1 15 15 SER N N 15 118.5 . . 1 . . . . 13 S N . 26731 1 60 . 1 1 16 16 ARG H H 1 8.481 . . 1 . . . . 14 R H . 26731 1 61 . 1 1 16 16 ARG C C 13 176.4 . . 1 . . . . 14 R C . 26731 1 62 . 1 1 16 16 ARG CA C 13 55.78 . . 1 . . . . 14 R CA . 26731 1 63 . 1 1 16 16 ARG CB C 13 29.62 . . 1 . . . . 14 R CB . 26731 1 64 . 1 1 16 16 ARG N N 15 123.5 . . 1 . . . . 14 R N . 26731 1 65 . 1 1 17 17 THR H H 1 8.079 . . 1 . . . . 15 T H . 26731 1 66 . 1 1 17 17 THR C C 13 175.3 . . 1 . . . . 15 T C . 26731 1 67 . 1 1 17 17 THR CA C 13 61.35 . . 1 . . . . 15 T CA . 26731 1 68 . 1 1 17 17 THR CB C 13 69.38 . . 1 . . . . 15 T CB . 26731 1 69 . 1 1 17 17 THR N N 15 114.6 . . 1 . . . . 15 T N . 26731 1 70 . 1 1 18 18 GLY H H 1 8.506 . . 1 . . . . 16 G H . 26731 1 71 . 1 1 18 18 GLY C C 13 173.9 . . 1 . . . . 16 G C . 26731 1 72 . 1 1 18 18 GLY CA C 13 44.9 . . 1 . . . . 16 G CA . 26731 1 73 . 1 1 18 18 GLY N N 15 111.3 . . 1 . . . . 16 G N . 26731 1 74 . 1 1 19 19 HIS H H 1 8.391 . . 1 . . . . 17 H H . 26731 1 75 . 1 1 19 19 HIS C C 13 175.2 . . 1 . . . . 17 H C . 26731 1 76 . 1 1 19 19 HIS CA C 13 55.19 . . 1 . . . . 17 H CA . 26731 1 77 . 1 1 19 19 HIS CB C 13 28.79 . . 1 . . . . 17 H CB . 26731 1 78 . 1 1 19 19 HIS N N 15 118.5 . . 1 . . . . 17 H N . 26731 1 79 . 1 1 20 20 GLY H H 1 8.328 . . 1 . . . . 18 G H . 26731 1 80 . 1 1 20 20 GLY C C 13 173.6 . . 1 . . . . 18 G C . 26731 1 81 . 1 1 20 20 GLY CA C 13 44.81 . . 1 . . . . 18 G CA . 26731 1 82 . 1 1 20 20 GLY N N 15 110.4 . . 1 . . . . 18 G N . 26731 1 83 . 1 1 21 21 GLY H H 1 7.82 . . 1 . . . . 19 G H . 26731 1 84 . 1 1 21 21 GLY C C 13 172 . . 1 . . . . 19 G C . 26731 1 85 . 1 1 21 21 GLY CA C 13 44.85 . . 1 . . . . 19 G CA . 26731 1 86 . 1 1 21 21 GLY N N 15 109.7 . . 1 . . . . 19 G N . 26731 1 87 . 1 1 22 22 VAL H H 1 7.757 . . 1 . . . . 20 V H . 26731 1 88 . 1 1 22 22 VAL C C 13 177 . . 1 . . . . 20 V C . 26731 1 89 . 1 1 22 22 VAL CA C 13 60.07 . . 1 . . . . 20 V CA . 26731 1 90 . 1 1 22 22 VAL CB C 13 33.27 . . 1 . . . . 20 V CB . 26731 1 91 . 1 1 22 22 VAL N N 15 120 . . 1 . . . . 20 V N . 26731 1 92 . 1 1 23 23 ASN H H 1 9.489 . . 1 . . . . 21 N H . 26731 1 93 . 1 1 23 23 ASN C C 13 178.2 . . 1 . . . . 21 N C . 26731 1 94 . 1 1 23 23 ASN CA C 13 51.9 . . 1 . . . . 21 N CA . 26731 1 95 . 1 1 23 23 ASN CB C 13 38.22 . . 1 . . . . 21 N CB . 26731 1 96 . 1 1 23 23 ASN N N 15 125.2 . . 1 . . . . 21 N N . 26731 1 97 . 1 1 24 24 GLN H H 1 9.813 . . 1 . . . . 22 Q H . 26731 1 98 . 1 1 24 24 GLN C C 13 177.2 . . 1 . . . . 22 Q C . 26731 1 99 . 1 1 24 24 GLN CA C 13 58.22 . . 1 . . . . 22 Q CA . 26731 1 100 . 1 1 24 24 GLN CB C 13 27.75 . . 1 . . . . 22 Q CB . 26731 1 101 . 1 1 24 24 GLN N N 15 119 . . 1 . . . . 22 Q N . 26731 1 102 . 1 1 25 25 LEU H H 1 8.024 . . 1 . . . . 23 L H . 26731 1 103 . 1 1 25 25 LEU C C 13 176.9 . . 1 . . . . 23 L C . 26731 1 104 . 1 1 25 25 LEU CA C 13 54.37 . . 1 . . . . 23 L CA . 26731 1 105 . 1 1 25 25 LEU CB C 13 40.95 . . 1 . . . . 23 L CB . 26731 1 106 . 1 1 25 25 LEU N N 15 118.7 . . 1 . . . . 23 L N . 26731 1 107 . 1 1 26 26 GLY H H 1 8.132 . . 1 . . . . 24 G H . 26731 1 108 . 1 1 26 26 GLY C C 13 175 . . 1 . . . . 24 G C . 26731 1 109 . 1 1 26 26 GLY CA C 13 44.8 . . 1 . . . . 24 G CA . 26731 1 110 . 1 1 26 26 GLY N N 15 108 . . 1 . . . . 24 G N . 26731 1 111 . 1 1 27 27 GLY H H 1 8.67 . . 1 . . . . 25 G H . 26731 1 112 . 1 1 27 27 GLY C C 13 172.3 . . 1 . . . . 25 G C . 26731 1 113 . 1 1 27 27 GLY CA C 13 44.38 . . 1 . . . . 25 G CA . 26731 1 114 . 1 1 27 27 GLY N N 15 112.7 . . 1 . . . . 25 G N . 26731 1 115 . 1 1 28 28 VAL H H 1 8.289 . . 1 . . . . 26 V H . 26731 1 116 . 1 1 28 28 VAL C C 13 176.4 . . 1 . . . . 26 V C . 26731 1 117 . 1 1 28 28 VAL CA C 13 61.23 . . 1 . . . . 26 V CA . 26731 1 118 . 1 1 28 28 VAL CB C 13 31.65 . . 1 . . . . 26 V CB . 26731 1 119 . 1 1 28 28 VAL N N 15 123.1 . . 1 . . . . 26 V N . 26731 1 120 . 1 1 29 29 PHE H H 1 8.6 . . 1 . . . . 27 F H . 26731 1 121 . 1 1 29 29 PHE C C 13 173 . . 1 . . . . 27 F C . 26731 1 122 . 1 1 29 29 PHE CA C 13 54.87 . . 1 . . . . 27 F CA . 26731 1 123 . 1 1 29 29 PHE CB C 13 41.94 . . 1 . . . . 27 F CB . 26731 1 124 . 1 1 29 29 PHE N N 15 125.3 . . 1 . . . . 27 F N . 26731 1 125 . 1 1 30 30 VAL H H 1 8.254 . . 1 . . . . 28 V H . 26731 1 126 . 1 1 30 30 VAL C C 13 176 . . 1 . . . . 28 V C . 26731 1 127 . 1 1 30 30 VAL CA C 13 60.83 . . 1 . . . . 28 V CA . 26731 1 128 . 1 1 30 30 VAL CB C 13 31.53 . . 1 . . . . 28 V CB . 26731 1 129 . 1 1 30 30 VAL N N 15 122.5 . . 1 . . . . 28 V N . 26731 1 130 . 1 1 31 31 ASN H H 1 8.373 . . 1 . . . . 29 N H . 26731 1 131 . 1 1 31 31 ASN C C 13 175.9 . . 1 . . . . 29 N C . 26731 1 132 . 1 1 31 31 ASN CA C 13 54.28 . . 1 . . . . 29 N CA . 26731 1 133 . 1 1 31 31 ASN CB C 13 37.42 . . 1 . . . . 29 N CB . 26731 1 134 . 1 1 31 31 ASN N N 15 127.6 . . 1 . . . . 29 N N . 26731 1 135 . 1 1 32 32 GLY H H 1 9.612 . . 1 . . . . 30 G H . 26731 1 136 . 1 1 32 32 GLY C C 13 174.7 . . 1 . . . . 30 G C . 26731 1 137 . 1 1 32 32 GLY CA C 13 44.59 . . 1 . . . . 30 G CA . 26731 1 138 . 1 1 32 32 GLY N N 15 115.8 . . 1 . . . . 30 G N . 26731 1 139 . 1 1 33 33 ARG H H 1 7.485 . . 1 . . . . 31 R H . 26731 1 140 . 1 1 33 33 ARG C C 13 173.2 . . 1 . . . . 31 R C . 26731 1 141 . 1 1 33 33 ARG CA C 13 51.44 . . 1 . . . . 31 R CA . 26731 1 142 . 1 1 33 33 ARG CB C 13 29.16 . . 1 . . . . 31 R CB . 26731 1 143 . 1 1 33 33 ARG N N 15 117.7 . . 1 . . . . 31 R N . 26731 1 144 . 1 1 36 36 PRO C C 13 177.1 . . 1 . . . . 34 P C . 26731 1 145 . 1 1 36 36 PRO CA C 13 62.35 . . 1 . . . . 34 P CA . 26731 1 146 . 1 1 36 36 PRO CB C 13 32.31 . . 1 . . . . 34 P CB . 26731 1 147 . 1 1 37 37 ASP H H 1 8.811 . . 1 . . . . 35 D H . 26731 1 148 . 1 1 37 37 ASP C C 13 177.8 . . 1 . . . . 35 D C . 26731 1 149 . 1 1 37 37 ASP CA C 13 57.9 . . 1 . . . . 35 D CA . 26731 1 150 . 1 1 37 37 ASP CB C 13 39.5 . . 1 . . . . 35 D CB . 26731 1 151 . 1 1 37 37 ASP N N 15 125.1 . . 1 . . . . 35 D N . 26731 1 152 . 1 1 38 38 VAL H H 1 8.454 . . 1 . . . . 36 V H . 26731 1 153 . 1 1 38 38 VAL C C 13 177.8 . . 1 . . . . 36 V C . 26731 1 154 . 1 1 38 38 VAL CA C 13 64.64 . . 1 . . . . 36 V CA . 26731 1 155 . 1 1 38 38 VAL CB C 13 30.44 . . 1 . . . . 36 V CB . 26731 1 156 . 1 1 38 38 VAL N N 15 114.9 . . 1 . . . . 36 V N . 26731 1 157 . 1 1 39 39 VAL H H 1 7.067 . . 1 . . . . 37 V H . 26731 1 158 . 1 1 39 39 VAL C C 13 177.6 . . 1 . . . . 37 V C . 26731 1 159 . 1 1 39 39 VAL CA C 13 65.14 . . 1 . . . . 37 V CA . 26731 1 160 . 1 1 39 39 VAL CB C 13 30.96 . . 1 . . . . 37 V CB . 26731 1 161 . 1 1 39 39 VAL N N 15 122 . . 1 . . . . 37 V N . 26731 1 162 . 1 1 40 40 ARG H H 1 7.666 . . 1 . . . . 38 R H . 26731 1 163 . 1 1 40 40 ARG C C 13 177.6 . . 1 . . . . 38 R C . 26731 1 164 . 1 1 40 40 ARG CA C 13 59.88 . . 1 . . . . 38 R CA . 26731 1 165 . 1 1 40 40 ARG N N 15 119.6 . . 1 . . . . 38 R N . 26731 1 166 . 1 1 41 41 GLN H H 1 8.415 . . 1 . . . . 39 Q H . 26731 1 167 . 1 1 41 41 GLN C C 13 178.2 . . 1 . . . . 39 Q C . 26731 1 168 . 1 1 41 41 GLN CA C 13 57.85 . . 1 . . . . 39 Q CA . 26731 1 169 . 1 1 41 41 GLN CB C 13 27.34 . . 1 . . . . 39 Q CB . 26731 1 170 . 1 1 41 41 GLN N N 15 115 . . 1 . . . . 39 Q N . 26731 1 171 . 1 1 42 42 ARG H H 1 7.324 . . 1 . . . . 40 R H . 26731 1 172 . 1 1 42 42 ARG C C 13 177.8 . . 1 . . . . 40 R C . 26731 1 173 . 1 1 42 42 ARG CA C 13 57.67 . . 1 . . . . 40 R CA . 26731 1 174 . 1 1 42 42 ARG CB C 13 28.48 . . 1 . . . . 40 R CB . 26731 1 175 . 1 1 42 42 ARG N N 15 120.7 . . 1 . . . . 40 R N . 26731 1 176 . 1 1 43 43 ILE H H 1 7.952 . . 1 . . . . 41 I H . 26731 1 177 . 1 1 43 43 ILE C C 13 176.7 . . 1 . . . . 41 I C . 26731 1 178 . 1 1 43 43 ILE CA C 13 65.69 . . 1 . . . . 41 I CA . 26731 1 179 . 1 1 43 43 ILE CB C 13 36.71 . . 1 . . . . 41 I CB . 26731 1 180 . 1 1 43 43 ILE N N 15 119.9 . . 1 . . . . 41 I N . 26731 1 181 . 1 1 44 44 VAL H H 1 6.834 . . 1 . . . . 42 V H . 26731 1 182 . 1 1 44 44 VAL C C 13 177.9 . . 1 . . . . 42 V C . 26731 1 183 . 1 1 44 44 VAL CA C 13 65.54 . . 1 . . . . 42 V CA . 26731 1 184 . 1 1 44 44 VAL CB C 13 30.28 . . 1 . . . . 42 V CB . 26731 1 185 . 1 1 44 44 VAL N N 15 116.3 . . 1 . . . . 42 V N . 26731 1 186 . 1 1 45 45 GLU H H 1 8.269 . . 1 . . . . 43 E H . 26731 1 187 . 1 1 45 45 GLU C C 13 179.9 . . 1 . . . . 43 E C . 26731 1 188 . 1 1 45 45 GLU CA C 13 58.91 . . 1 . . . . 43 E CA . 26731 1 189 . 1 1 45 45 GLU CB C 13 30.4 . . 1 . . . . 43 E CB . 26731 1 190 . 1 1 45 45 GLU N N 15 122 . . 1 . . . . 43 E N . 26731 1 191 . 1 1 46 46 LEU H H 1 8.469 . . 1 . . . . 44 L H . 26731 1 192 . 1 1 46 46 LEU C C 13 179.7 . . 1 . . . . 44 L C . 26731 1 193 . 1 1 46 46 LEU CA C 13 57.28 . . 1 . . . . 44 L CA . 26731 1 194 . 1 1 46 46 LEU CB C 13 40.75 . . 1 . . . . 44 L CB . 26731 1 195 . 1 1 46 46 LEU N N 15 119.3 . . 1 . . . . 44 L N . 26731 1 196 . 1 1 47 47 ALA H H 1 8.062 . . 1 . . . . 45 A H . 26731 1 197 . 1 1 47 47 ALA C C 13 182.8 . . 1 . . . . 45 A C . 26731 1 198 . 1 1 47 47 ALA CA C 13 54.93 . . 1 . . . . 45 A CA . 26731 1 199 . 1 1 47 47 ALA CB C 13 17.5 . . 1 . . . . 45 A CB . 26731 1 200 . 1 1 47 47 ALA N N 15 123.8 . . 1 . . . . 45 A N . 26731 1 201 . 1 1 48 48 HIS H H 1 8.502 . . 1 . . . . 46 H H . 26731 1 202 . 1 1 48 48 HIS C C 13 176.8 . . 1 . . . . 46 H C . 26731 1 203 . 1 1 48 48 HIS CA C 13 57.83 . . 1 . . . . 46 H CA . 26731 1 204 . 1 1 48 48 HIS CB C 13 28.09 . . 1 . . . . 46 H CB . 26731 1 205 . 1 1 48 48 HIS N N 15 119.3 . . 1 . . . . 46 H N . 26731 1 206 . 1 1 49 49 GLN H H 1 7.69 . . 1 . . . . 47 Q H . 26731 1 207 . 1 1 49 49 GLN C C 13 176.1 . . 1 . . . . 47 Q C . 26731 1 208 . 1 1 49 49 GLN CA C 13 55.49 . . 1 . . . . 47 Q CA . 26731 1 209 . 1 1 49 49 GLN CB C 13 27.91 . . 1 . . . . 47 Q CB . 26731 1 210 . 1 1 49 49 GLN N N 15 117.9 . . 1 . . . . 47 Q N . 26731 1 211 . 1 1 50 50 GLY H H 1 7.913 . . 1 . . . . 48 G H . 26731 1 212 . 1 1 50 50 GLY C C 13 174.2 . . 1 . . . . 48 G C . 26731 1 213 . 1 1 50 50 GLY CA C 13 44.73 . . 1 . . . . 48 G CA . 26731 1 214 . 1 1 50 50 GLY N N 15 108 . . 1 . . . . 48 G N . 26731 1 215 . 1 1 51 51 VAL H H 1 7.733 . . 1 . . . . 49 V H . 26731 1 216 . 1 1 51 51 VAL C C 13 175.8 . . 1 . . . . 49 V C . 26731 1 217 . 1 1 51 51 VAL CA C 13 62.39 . . 1 . . . . 49 V CA . 26731 1 218 . 1 1 51 51 VAL CB C 13 30.15 . . 1 . . . . 49 V CB . 26731 1 219 . 1 1 51 51 VAL N N 15 124.1 . . 1 . . . . 49 V N . 26731 1 220 . 1 1 52 52 ARG H H 1 9.042 . . 1 . . . . 50 R H . 26731 1 221 . 1 1 52 52 ARG C C 13 176.4 . . 1 . . . . 50 R C . 26731 1 222 . 1 1 52 52 ARG CA C 13 55.03 . . 1 . . . . 50 R CA . 26731 1 223 . 1 1 52 52 ARG CB C 13 30.14 . . 1 . . . . 50 R CB . 26731 1 224 . 1 1 52 52 ARG N N 15 128.8 . . 1 . . . . 50 R N . 26731 1 225 . 1 1 53 53 PRO C C 13 177.9 . . 1 . . . . 51 P C . 26731 1 226 . 1 1 53 53 PRO CA C 13 66.56 . . 1 . . . . 51 P CA . 26731 1 227 . 1 1 53 53 PRO CB C 13 30.87 . . 1 . . . . 51 P CB . 26731 1 228 . 1 1 54 54 CYS H H 1 8.988 . . 1 . . . . 52 C H . 26731 1 229 . 1 1 54 54 CYS C C 13 175.9 . . 1 . . . . 52 C C . 26731 1 230 . 1 1 54 54 CYS CA C 13 58.92 . . 1 . . . . 52 C CA . 26731 1 231 . 1 1 54 54 CYS CB C 13 27.08 . . 1 . . . . 52 C CB . 26731 1 232 . 1 1 54 54 CYS N N 15 117 . . 1 . . . . 52 C N . 26731 1 233 . 1 1 55 55 ASP H H 1 7.345 . . 1 . . . . 53 D H . 26731 1 234 . 1 1 55 55 ASP C C 13 178.4 . . 1 . . . . 53 D C . 26731 1 235 . 1 1 55 55 ASP CA C 13 56.65 . . 1 . . . . 53 D CA . 26731 1 236 . 1 1 55 55 ASP CB C 13 40.47 . . 1 . . . . 53 D CB . 26731 1 237 . 1 1 55 55 ASP N N 15 125.3 . . 1 . . . . 53 D N . 26731 1 238 . 1 1 56 56 ILE H H 1 8.316 . . 1 . . . . 54 I H . 26731 1 239 . 1 1 56 56 ILE C C 13 177.5 . . 1 . . . . 54 I C . 26731 1 240 . 1 1 56 56 ILE CA C 13 66.37 . . 1 . . . . 54 I CA . 26731 1 241 . 1 1 56 56 ILE CB C 13 37.02 . . 1 . . . . 54 I CB . 26731 1 242 . 1 1 56 56 ILE N N 15 124.8 . . 1 . . . . 54 I N . 26731 1 243 . 1 1 57 57 SER H H 1 8.374 . . 1 . . . . 55 S H . 26731 1 244 . 1 1 57 57 SER C C 13 176.9 . . 1 . . . . 55 S C . 26731 1 245 . 1 1 57 57 SER CA C 13 60.48 . . 1 . . . . 55 S CA . 26731 1 246 . 1 1 57 57 SER CB C 13 62.44 . . 1 . . . . 55 S CB . 26731 1 247 . 1 1 57 57 SER N N 15 112.4 . . 1 . . . . 55 S N . 26731 1 248 . 1 1 58 58 ARG H H 1 7.576 . . 1 . . . . 56 R H . 26731 1 249 . 1 1 58 58 ARG C C 13 179.1 . . 1 . . . . 56 R C . 26731 1 250 . 1 1 58 58 ARG CA C 13 60 . . 1 . . . . 56 R CA . 26731 1 251 . 1 1 58 58 ARG CB C 13 30.76 . . 1 . . . . 56 R CB . 26731 1 252 . 1 1 58 58 ARG N N 15 116.2 . . 1 . . . . 56 R N . 26731 1 253 . 1 1 59 59 GLN H H 1 8.436 . . 1 . . . . 57 Q H . 26731 1 254 . 1 1 59 59 GLN C C 13 178.3 . . 1 . . . . 57 Q C . 26731 1 255 . 1 1 59 59 GLN CA C 13 58.61 . . 1 . . . . 57 Q CA . 26731 1 256 . 1 1 59 59 GLN CB C 13 28.26 . . 1 . . . . 57 Q CB . 26731 1 257 . 1 1 59 59 GLN N N 15 118.1 . . 1 . . . . 57 Q N . 26731 1 258 . 1 1 60 60 LEU H H 1 8.198 . . 1 . . . . 58 L H . 26731 1 259 . 1 1 60 60 LEU C C 13 175.9 . . 1 . . . . 58 L C . 26731 1 260 . 1 1 60 60 LEU CA C 13 53.86 . . 1 . . . . 58 L CA . 26731 1 261 . 1 1 60 60 LEU CB C 13 40.33 . . 1 . . . . 58 L CB . 26731 1 262 . 1 1 60 60 LEU N N 15 115.8 . . 1 . . . . 58 L N . 26731 1 263 . 1 1 61 61 ARG H H 1 7.855 . . 1 . . . . 59 R H . 26731 1 264 . 1 1 61 61 ARG C C 13 174.3 . . 1 . . . . 59 R C . 26731 1 265 . 1 1 61 61 ARG CA C 13 56.36 . . 1 . . . . 59 R CA . 26731 1 266 . 1 1 61 61 ARG CB C 13 24.95 . . 1 . . . . 59 R CB . 26731 1 267 . 1 1 61 61 ARG N N 15 117.9 . . 1 . . . . 59 R N . 26731 1 268 . 1 1 62 62 VAL H H 1 7.896 . . 1 . . . . 60 V H . 26731 1 269 . 1 1 62 62 VAL C C 13 174.7 . . 1 . . . . 60 V C . 26731 1 270 . 1 1 62 62 VAL CA C 13 59.93 . . 1 . . . . 60 V CA . 26731 1 271 . 1 1 62 62 VAL CB C 13 35.15 . . 1 . . . . 60 V CB . 26731 1 272 . 1 1 62 62 VAL N N 15 119.8 . . 1 . . . . 60 V N . 26731 1 273 . 1 1 63 63 SER H H 1 9.456 . . 1 . . . . 61 S H . 26731 1 274 . 1 1 63 63 SER C C 13 176.8 . . 1 . . . . 61 S C . 26731 1 275 . 1 1 63 63 SER CA C 13 59.92 . . 1 . . . . 61 S CA . 26731 1 276 . 1 1 63 63 SER CB C 13 62.72 . . 1 . . . . 61 S CB . 26731 1 277 . 1 1 63 63 SER N N 15 124.3 . . 1 . . . . 61 S N . 26731 1 278 . 1 1 64 64 HIS H H 1 9.224 . . 1 . . . . 62 H H . 26731 1 279 . 1 1 64 64 HIS C C 13 178 . . 1 . . . . 62 H C . 26731 1 280 . 1 1 64 64 HIS CA C 13 59.19 . . 1 . . . . 62 H CA . 26731 1 281 . 1 1 64 64 HIS CB C 13 25.55 . . 1 . . . . 62 H CB . 26731 1 282 . 1 1 64 64 HIS N N 15 122.6 . . 1 . . . . 62 H N . 26731 1 283 . 1 1 65 65 GLY H H 1 9.437 . . 1 . . . . 63 G H . 26731 1 284 . 1 1 65 65 GLY C C 13 176.1 . . 1 . . . . 63 G C . 26731 1 285 . 1 1 65 65 GLY CA C 13 46.38 . . 1 . . . . 63 G CA . 26731 1 286 . 1 1 65 65 GLY N N 15 113.7 . . 1 . . . . 63 G N . 26731 1 287 . 1 1 66 66 CYS H H 1 7.314 . . 1 . . . . 64 C H . 26731 1 288 . 1 1 66 66 CYS C C 13 175.9 . . 1 . . . . 64 C C . 26731 1 289 . 1 1 66 66 CYS CA C 13 60.73 . . 1 . . . . 64 C CA . 26731 1 290 . 1 1 66 66 CYS CB C 13 26.61 . . 1 . . . . 64 C CB . 26731 1 291 . 1 1 66 66 CYS N N 15 126.2 . . 1 . . . . 64 C N . 26731 1 292 . 1 1 67 67 VAL H H 1 7.635 . . 1 . . . . 65 V H . 26731 1 293 . 1 1 67 67 VAL C C 13 177.1 . . 1 . . . . 65 V C . 26731 1 294 . 1 1 67 67 VAL CA C 13 67.72 . . 1 . . . . 65 V CA . 26731 1 295 . 1 1 67 67 VAL CB C 13 30.71 . . 1 . . . . 65 V CB . 26731 1 296 . 1 1 67 67 VAL N N 15 119.4 . . 1 . . . . 65 V N . 26731 1 297 . 1 1 68 68 SER H H 1 8.269 . . 1 . . . . 66 S H . 26731 1 298 . 1 1 68 68 SER C C 13 177.7 . . 1 . . . . 66 S C . 26731 1 299 . 1 1 68 68 SER CA C 13 61.62 . . 1 . . . . 66 S CA . 26731 1 300 . 1 1 68 68 SER CB C 13 62.84 . . 1 . . . . 66 S CB . 26731 1 301 . 1 1 68 68 SER N N 15 111.4 . . 1 . . . . 66 S N . 26731 1 302 . 1 1 69 69 LYS H H 1 7.303 . . 1 . . . . 67 K H . 26731 1 303 . 1 1 69 69 LYS C C 13 179 . . 1 . . . . 67 K C . 26731 1 304 . 1 1 69 69 LYS CA C 13 58.82 . . 1 . . . . 67 K CA . 26731 1 305 . 1 1 69 69 LYS CB C 13 31.39 . . 1 . . . . 67 K CB . 26731 1 306 . 1 1 69 69 LYS N N 15 122.2 . . 1 . . . . 67 K N . 26731 1 307 . 1 1 70 70 ILE H H 1 8.57 . . 1 . . . . 68 I H . 26731 1 308 . 1 1 70 70 ILE C C 13 179.8 . . 1 . . . . 68 I C . 26731 1 309 . 1 1 70 70 ILE CA C 13 64.75 . . 1 . . . . 68 I CA . 26731 1 310 . 1 1 70 70 ILE CB C 13 36.68 . . 1 . . . . 68 I CB . 26731 1 311 . 1 1 70 70 ILE N N 15 120.2 . . 1 . . . . 68 I N . 26731 1 312 . 1 1 71 71 LEU H H 1 8.734 . . 1 . . . . 69 L H . 26731 1 313 . 1 1 71 71 LEU C C 13 178 . . 1 . . . . 69 L C . 26731 1 314 . 1 1 71 71 LEU CA C 13 57.5 . . 1 . . . . 69 L CA . 26731 1 315 . 1 1 71 71 LEU CB C 13 39.57 . . 1 . . . . 69 L CB . 26731 1 316 . 1 1 71 71 LEU N N 15 120.7 . . 1 . . . . 69 L N . 26731 1 317 . 1 1 72 72 GLY H H 1 8.348 . . 1 . . . . 70 G H . 26731 1 318 . 1 1 72 72 GLY C C 13 177.2 . . 1 . . . . 70 G C . 26731 1 319 . 1 1 72 72 GLY CA C 13 47.08 . . 1 . . . . 70 G CA . 26731 1 320 . 1 1 72 72 GLY N N 15 106.9 . . 1 . . . . 70 G N . 26731 1 321 . 1 1 73 73 ARG H H 1 8.068 . . 1 . . . . 71 R H . 26731 1 322 . 1 1 73 73 ARG C C 13 180.2 . . 1 . . . . 71 R C . 26731 1 323 . 1 1 73 73 ARG CA C 13 58.43 . . 1 . . . . 71 R CA . 26731 1 324 . 1 1 73 73 ARG CB C 13 29.01 . . 1 . . . . 71 R CB . 26731 1 325 . 1 1 73 73 ARG N N 15 121.1 . . 1 . . . . 71 R N . 26731 1 326 . 1 1 74 74 TYR H H 1 8.272 . . 1 . . . . 72 Y H . 26731 1 327 . 1 1 74 74 TYR C C 13 179.1 . . 1 . . . . 72 Y C . 26731 1 328 . 1 1 74 74 TYR CA C 13 61.02 . . 1 . . . . 72 Y CA . 26731 1 329 . 1 1 74 74 TYR CB C 13 37.11 . . 1 . . . . 72 Y CB . 26731 1 330 . 1 1 74 74 TYR N N 15 124.8 . . 1 . . . . 72 Y N . 26731 1 331 . 1 1 75 75 TYR H H 1 8.949 . . 1 . . . . 73 Y H . 26731 1 332 . 1 1 75 75 TYR C C 13 177.9 . . 1 . . . . 73 Y C . 26731 1 333 . 1 1 75 75 TYR CA C 13 59.62 . . 1 . . . . 73 Y CA . 26731 1 334 . 1 1 75 75 TYR CB C 13 35.96 . . 1 . . . . 73 Y CB . 26731 1 335 . 1 1 75 75 TYR N N 15 121.4 . . 1 . . . . 73 Y N . 26731 1 336 . 1 1 76 76 GLU H H 1 7.704 . . 1 . . . . 74 E H . 26731 1 337 . 1 1 76 76 GLU C C 13 178.2 . . 1 . . . . 74 E C . 26731 1 338 . 1 1 76 76 GLU CA C 13 58.4 . . 1 . . . . 74 E CA . 26731 1 339 . 1 1 76 76 GLU CB C 13 30.21 . . 1 . . . . 74 E CB . 26731 1 340 . 1 1 76 76 GLU N N 15 117.1 . . 1 . . . . 74 E N . 26731 1 341 . 1 1 77 77 THR H H 1 8.162 . . 1 . . . . 75 T H . 26731 1 342 . 1 1 77 77 THR C C 13 176.3 . . 1 . . . . 75 T C . 26731 1 343 . 1 1 77 77 THR CA C 13 61.83 . . 1 . . . . 75 T CA . 26731 1 344 . 1 1 77 77 THR CB C 13 72.58 . . 1 . . . . 75 T CB . 26731 1 345 . 1 1 77 77 THR N N 15 105.9 . . 1 . . . . 75 T N . 26731 1 346 . 1 1 78 78 GLY H H 1 8.68 . . 1 . . . . 76 G H . 26731 1 347 . 1 1 78 78 GLY C C 13 173.1 . . 1 . . . . 76 G C . 26731 1 348 . 1 1 78 78 GLY CA C 13 45.06 . . 1 . . . . 76 G CA . 26731 1 349 . 1 1 78 78 GLY N N 15 113.5 . . 1 . . . . 76 G N . 26731 1 350 . 1 1 79 79 SER H H 1 7.816 . . 1 . . . . 77 S H . 26731 1 351 . 1 1 79 79 SER C C 13 175.6 . . 1 . . . . 77 S C . 26731 1 352 . 1 1 79 79 SER CA C 13 55.44 . . 1 . . . . 77 S CA . 26731 1 353 . 1 1 79 79 SER CB C 13 64.03 . . 1 . . . . 77 S CB . 26731 1 354 . 1 1 79 79 SER N N 15 113.7 . . 1 . . . . 77 S N . 26731 1 355 . 1 1 80 80 ILE H H 1 8.497 . . 1 . . . . 78 I H . 26731 1 356 . 1 1 80 80 ILE C C 13 176.1 . . 1 . . . . 78 I C . 26731 1 357 . 1 1 80 80 ILE CA C 13 60.17 . . 1 . . . . 78 I CA . 26731 1 358 . 1 1 80 80 ILE CB C 13 37.94 . . 1 . . . . 78 I CB . 26731 1 359 . 1 1 80 80 ILE N N 15 119.8 . . 1 . . . . 78 I N . 26731 1 360 . 1 1 81 81 LYS H H 1 8.232 . . 1 . . . . 79 K H . 26731 1 361 . 1 1 81 81 LYS C C 13 175.7 . . 1 . . . . 79 K C . 26731 1 362 . 1 1 81 81 LYS CA C 13 54.65 . . 1 . . . . 79 K CA . 26731 1 363 . 1 1 81 81 LYS CB C 13 30.73 . . 1 . . . . 79 K CB . 26731 1 364 . 1 1 81 81 LYS N N 15 124.6 . . 1 . . . . 79 K N . 26731 1 365 . 1 1 82 82 PRO C C 13 176 . . 1 . . . . 80 P C . 26731 1 366 . 1 1 82 82 PRO CA C 13 61.96 . . 1 . . . . 80 P CA . 26731 1 367 . 1 1 82 82 PRO CB C 13 31.44 . . 1 . . . . 80 P CB . 26731 1 368 . 1 1 83 83 GLY H H 1 9.16 . . 1 . . . . 81 G H . 26731 1 369 . 1 1 83 83 GLY C C 13 171.5 . . 1 . . . . 81 G C . 26731 1 370 . 1 1 83 83 GLY CA C 13 43.9 . . 1 . . . . 81 G CA . 26731 1 371 . 1 1 83 83 GLY N N 15 108.1 . . 1 . . . . 81 G N . 26731 1 372 . 1 1 84 84 VAL H H 1 8.036 . . 1 . . . . 82 V H . 26731 1 373 . 1 1 84 84 VAL C C 13 175.9 . . 1 . . . . 82 V C . 26731 1 374 . 1 1 84 84 VAL CA C 13 63.54 . . 1 . . . . 82 V CA . 26731 1 375 . 1 1 84 84 VAL CB C 13 30.39 . . 1 . . . . 82 V CB . 26731 1 376 . 1 1 84 84 VAL N N 15 119.9 . . 1 . . . . 82 V N . 26731 1 377 . 1 1 85 85 ILE H H 1 7.645 . . 1 . . . . 83 I H . 26731 1 378 . 1 1 85 85 ILE C C 13 176.7 . . 1 . . . . 83 I C . 26731 1 379 . 1 1 85 85 ILE CA C 13 59.72 . . 1 . . . . 83 I CA . 26731 1 380 . 1 1 85 85 ILE CB C 13 38.87 . . 1 . . . . 83 I CB . 26731 1 381 . 1 1 85 85 ILE N N 15 129.4 . . 1 . . . . 83 I N . 26731 1 382 . 1 1 86 86 GLY H H 1 8.719 . . 1 . . . . 84 G H . 26731 1 383 . 1 1 86 86 GLY C C 13 174.3 . . 1 . . . . 84 G C . 26731 1 384 . 1 1 86 86 GLY CA C 13 44.51 . . 1 . . . . 84 G CA . 26731 1 385 . 1 1 86 86 GLY N N 15 114.9 . . 1 . . . . 84 G N . 26731 1 386 . 1 1 87 87 GLY H H 1 7.578 . . 1 . . . . 85 G H . 26731 1 387 . 1 1 87 87 GLY C C 13 172 . . 1 . . . . 85 G C . 26731 1 388 . 1 1 87 87 GLY CA C 13 43.3 . . 1 . . . . 85 G CA . 26731 1 389 . 1 1 87 87 GLY N N 15 106 . . 1 . . . . 85 G N . 26731 1 390 . 1 1 88 88 SER H H 1 7.713 . . 1 . . . . 86 S H . 26731 1 391 . 1 1 88 88 SER C C 13 173.3 . . 1 . . . . 86 S C . 26731 1 392 . 1 1 88 88 SER CA C 13 56.85 . . 1 . . . . 86 S CA . 26731 1 393 . 1 1 88 88 SER CB C 13 65.85 . . 1 . . . . 86 S CB . 26731 1 394 . 1 1 88 88 SER N N 15 110.6 . . 1 . . . . 86 S N . 26731 1 395 . 1 1 89 89 LYS H H 1 8.223 . . 1 . . . . 87 K H . 26731 1 396 . 1 1 89 89 LYS C C 13 176.7 . . 1 . . . . 87 K C . 26731 1 397 . 1 1 89 89 LYS CA C 13 56.89 . . 1 . . . . 87 K CA . 26731 1 398 . 1 1 89 89 LYS CB C 13 31.29 . . 1 . . . . 87 K CB . 26731 1 399 . 1 1 89 89 LYS N N 15 119 . . 1 . . . . 87 K N . 26731 1 400 . 1 1 90 90 PRO C C 13 176 . . 1 . . . . 88 P C . 26731 1 401 . 1 1 90 90 PRO CA C 13 62.92 . . 1 . . . . 88 P CA . 26731 1 402 . 1 1 90 90 PRO CB C 13 31.54 . . 1 . . . . 88 P CB . 26731 1 403 . 1 1 91 91 LYS H H 1 8.628 . . 1 . . . . 89 K H . 26731 1 404 . 1 1 91 91 LYS C C 13 176.4 . . 1 . . . . 89 K C . 26731 1 405 . 1 1 91 91 LYS CA C 13 57.08 . . 1 . . . . 89 K CA . 26731 1 406 . 1 1 91 91 LYS CB C 13 34.84 . . 1 . . . . 89 K CB . 26731 1 407 . 1 1 91 91 LYS N N 15 123.5 . . 1 . . . . 89 K N . 26731 1 408 . 1 1 92 92 VAL H H 1 8.661 . . 1 . . . . 90 V H . 26731 1 409 . 1 1 92 92 VAL C C 13 177.3 . . 1 . . . . 90 V C . 26731 1 410 . 1 1 92 92 VAL CA C 13 60.13 . . 1 . . . . 90 V CA . 26731 1 411 . 1 1 92 92 VAL CB C 13 31.98 . . 1 . . . . 90 V CB . 26731 1 412 . 1 1 92 92 VAL N N 15 111.7 . . 1 . . . . 90 V N . 26731 1 413 . 1 1 93 93 ALA H H 1 8.594 . . 1 . . . . 91 A H . 26731 1 414 . 1 1 93 93 ALA C C 13 176.1 . . 1 . . . . 91 A C . 26731 1 415 . 1 1 93 93 ALA CA C 13 49.62 . . 1 . . . . 91 A CA . 26731 1 416 . 1 1 93 93 ALA CB C 13 16.96 . . 1 . . . . 91 A CB . 26731 1 417 . 1 1 93 93 ALA N N 15 130.4 . . 1 . . . . 91 A N . 26731 1 418 . 1 1 94 94 THR H H 1 7.258 . . 1 . . . . 92 T H . 26731 1 419 . 1 1 94 94 THR C C 13 173.1 . . 1 . . . . 92 T C . 26731 1 420 . 1 1 94 94 THR CA C 13 59.64 . . 1 . . . . 92 T CA . 26731 1 421 . 1 1 94 94 THR CB C 13 66.74 . . 1 . . . . 92 T CB . 26731 1 422 . 1 1 94 94 THR N N 15 111.5 . . 1 . . . . 92 T N . 26731 1 423 . 1 1 95 95 PRO C C 13 179.1 . . 1 . . . . 93 P C . 26731 1 424 . 1 1 95 95 PRO CA C 13 66.2 . . 1 . . . . 93 P CA . 26731 1 425 . 1 1 95 95 PRO CB C 13 30.89 . . 1 . . . . 93 P CB . 26731 1 426 . 1 1 96 96 LYS H H 1 8.142 . . 1 . . . . 94 K H . 26731 1 427 . 1 1 96 96 LYS C C 13 178.3 . . 1 . . . . 94 K C . 26731 1 428 . 1 1 96 96 LYS CA C 13 58.07 . . 1 . . . . 94 K CA . 26731 1 429 . 1 1 96 96 LYS CB C 13 31.04 . . 1 . . . . 94 K CB . 26731 1 430 . 1 1 96 96 LYS N N 15 115.9 . . 1 . . . . 94 K N . 26731 1 431 . 1 1 97 97 VAL H H 1 7.151 . . 1 . . . . 95 V H . 26731 1 432 . 1 1 97 97 VAL C C 13 177.6 . . 1 . . . . 95 V C . 26731 1 433 . 1 1 97 97 VAL CA C 13 66.37 . . 1 . . . . 95 V CA . 26731 1 434 . 1 1 97 97 VAL CB C 13 31.08 . . 1 . . . . 95 V CB . 26731 1 435 . 1 1 97 97 VAL N N 15 121.1 . . 1 . . . . 95 V N . 26731 1 436 . 1 1 98 98 VAL H H 1 8.443 . . 1 . . . . 96 V H . 26731 1 437 . 1 1 98 98 VAL C C 13 177.2 . . 1 . . . . 96 V C . 26731 1 438 . 1 1 98 98 VAL CA C 13 67.07 . . 1 . . . . 96 V CA . 26731 1 439 . 1 1 98 98 VAL CB C 13 30.54 . . 1 . . . . 96 V CB . 26731 1 440 . 1 1 98 98 VAL N N 15 120 . . 1 . . . . 96 V N . 26731 1 441 . 1 1 99 99 GLU H H 1 7.888 . . 1 . . . . 97 E H . 26731 1 442 . 1 1 99 99 GLU C C 13 179.5 . . 1 . . . . 97 E C . 26731 1 443 . 1 1 99 99 GLU CA C 13 58.58 . . 1 . . . . 97 E CA . 26731 1 444 . 1 1 99 99 GLU CB C 13 28.79 . . 1 . . . . 97 E CB . 26731 1 445 . 1 1 99 99 GLU N N 15 117.3 . . 1 . . . . 97 E N . 26731 1 446 . 1 1 100 100 LYS H H 1 7.553 . . 1 . . . . 98 K H . 26731 1 447 . 1 1 100 100 LYS C C 13 176.7 . . 1 . . . . 98 K C . 26731 1 448 . 1 1 100 100 LYS CA C 13 56.66 . . 1 . . . . 98 K CA . 26731 1 449 . 1 1 100 100 LYS CB C 13 29.58 . . 1 . . . . 98 K CB . 26731 1 450 . 1 1 100 100 LYS N N 15 120.3 . . 1 . . . . 98 K N . 26731 1 451 . 1 1 101 101 ILE H H 1 8.238 . . 1 . . . . 99 I H . 26731 1 452 . 1 1 101 101 ILE C C 13 177.2 . . 1 . . . . 99 I C . 26731 1 453 . 1 1 101 101 ILE CA C 13 66.34 . . 1 . . . . 99 I CA . 26731 1 454 . 1 1 101 101 ILE CB C 13 36.51 . . 1 . . . . 99 I CB . 26731 1 455 . 1 1 101 101 ILE N N 15 118.8 . . 1 . . . . 99 I N . 26731 1 456 . 1 1 102 102 ALA H H 1 7.967 . . 1 . . . . 100 A H . 26731 1 457 . 1 1 102 102 ALA C C 13 179.8 . . 1 . . . . 100 A C . 26731 1 458 . 1 1 102 102 ALA CA C 13 54.68 . . 1 . . . . 100 A CA . 26731 1 459 . 1 1 102 102 ALA CB C 13 17.41 . . 1 . . . . 100 A CB . 26731 1 460 . 1 1 102 102 ALA N N 15 119.1 . . 1 . . . . 100 A N . 26731 1 461 . 1 1 103 103 GLU H H 1 7.817 . . 1 . . . . 101 E H . 26731 1 462 . 1 1 103 103 GLU C C 13 179.5 . . 1 . . . . 101 E C . 26731 1 463 . 1 1 103 103 GLU CA C 13 58.89 . . 1 . . . . 101 E CA . 26731 1 464 . 1 1 103 103 GLU CB C 13 28.82 . . 1 . . . . 101 E CB . 26731 1 465 . 1 1 103 103 GLU N N 15 120.3 . . 1 . . . . 101 E N . 26731 1 466 . 1 1 104 104 TYR H H 1 8.741 . . 1 . . . . 102 Y H . 26731 1 467 . 1 1 104 104 TYR C C 13 179.2 . . 1 . . . . 102 Y C . 26731 1 468 . 1 1 104 104 TYR CA C 13 56.99 . . 1 . . . . 102 Y CA . 26731 1 469 . 1 1 104 104 TYR CB C 13 35.53 . . 1 . . . . 102 Y CB . 26731 1 470 . 1 1 104 104 TYR N N 15 120 . . 1 . . . . 102 Y N . 26731 1 471 . 1 1 105 105 LYS H H 1 8.132 . . 1 . . . . 103 K H . 26731 1 472 . 1 1 105 105 LYS C C 13 178.3 . . 1 . . . . 103 K C . 26731 1 473 . 1 1 105 105 LYS CA C 13 55.94 . . 1 . . . . 103 K CA . 26731 1 474 . 1 1 105 105 LYS CB C 13 30.96 . . 1 . . . . 103 K CB . 26731 1 475 . 1 1 105 105 LYS N N 15 117.6 . . 1 . . . . 103 K N . 26731 1 476 . 1 1 106 106 ARG H H 1 7.954 . . 1 . . . . 104 R H . 26731 1 477 . 1 1 106 106 ARG C C 13 178.6 . . 1 . . . . 104 R C . 26731 1 478 . 1 1 106 106 ARG CA C 13 58.39 . . 1 . . . . 104 R CA . 26731 1 479 . 1 1 106 106 ARG CB C 13 29.17 . . 1 . . . . 104 R CB . 26731 1 480 . 1 1 106 106 ARG N N 15 118.7 . . 1 . . . . 104 R N . 26731 1 481 . 1 1 107 107 GLN H H 1 7.588 . . 1 . . . . 105 Q H . 26731 1 482 . 1 1 107 107 GLN C C 13 176.7 . . 1 . . . . 105 Q C . 26731 1 483 . 1 1 107 107 GLN CA C 13 57.16 . . 1 . . . . 105 Q CA . 26731 1 484 . 1 1 107 107 GLN CB C 13 28.2 . . 1 . . . . 105 Q CB . 26731 1 485 . 1 1 107 107 GLN N N 15 117 . . 1 . . . . 105 Q N . 26731 1 486 . 1 1 108 108 ASN H H 1 7.959 . . 1 . . . . 106 N H . 26731 1 487 . 1 1 108 108 ASN C C 13 172 . . 1 . . . . 106 N C . 26731 1 488 . 1 1 108 108 ASN CA C 13 50.05 . . 1 . . . . 106 N CA . 26731 1 489 . 1 1 108 108 ASN CB C 13 38.45 . . 1 . . . . 106 N CB . 26731 1 490 . 1 1 108 108 ASN N N 15 115 . . 1 . . . . 106 N N . 26731 1 491 . 1 1 109 109 PRO C C 13 178.3 . . 1 . . . . 107 P C . 26731 1 492 . 1 1 109 109 PRO CA C 13 64.55 . . 1 . . . . 107 P CA . 26731 1 493 . 1 1 109 109 PRO CB C 13 31.73 . . 1 . . . . 107 P CB . 26731 1 494 . 1 1 110 110 THR H H 1 7.442 . . 1 . . . . 108 T H . 26731 1 495 . 1 1 110 110 THR C C 13 174.8 . . 1 . . . . 108 T C . 26731 1 496 . 1 1 110 110 THR CA C 13 60.25 . . 1 . . . . 108 T CA . 26731 1 497 . 1 1 110 110 THR CB C 13 67.95 . . 1 . . . . 108 T CB . 26731 1 498 . 1 1 110 110 THR N N 15 105.9 . . 1 . . . . 108 T N . 26731 1 499 . 1 1 111 111 MET H H 1 7.225 . . 1 . . . . 109 M H . 26731 1 500 . 1 1 111 111 MET C C 13 175.3 . . 1 . . . . 109 M C . 26731 1 501 . 1 1 111 111 MET CA C 13 56.25 . . 1 . . . . 109 M CA . 26731 1 502 . 1 1 111 111 MET CB C 13 32.98 . . 1 . . . . 109 M CB . 26731 1 503 . 1 1 111 111 MET N N 15 123.2 . . 1 . . . . 109 M N . 26731 1 504 . 1 1 112 112 PHE H H 1 8.771 . . 1 . . . . 110 F H . 26731 1 505 . 1 1 112 112 PHE C C 13 178.4 . . 1 . . . . 110 F C . 26731 1 506 . 1 1 112 112 PHE CA C 13 55.79 . . 1 . . . . 110 F CA . 26731 1 507 . 1 1 112 112 PHE CB C 13 40.02 . . 1 . . . . 110 F CB . 26731 1 508 . 1 1 112 112 PHE N N 15 123.5 . . 1 . . . . 110 F N . 26731 1 509 . 1 1 113 113 ALA H H 1 9.208 . . 1 . . . . 111 A H . 26731 1 510 . 1 1 113 113 ALA C C 13 181.3 . . 1 . . . . 111 A C . 26731 1 511 . 1 1 113 113 ALA CA C 13 56.34 . . 1 . . . . 111 A CA . 26731 1 512 . 1 1 113 113 ALA CB C 13 17.66 . . 1 . . . . 111 A CB . 26731 1 513 . 1 1 113 113 ALA N N 15 126.2 . . 1 . . . . 111 A N . 26731 1 514 . 1 1 114 114 TRP H H 1 9.575 . . 1 . . . . 112 W H . 26731 1 515 . 1 1 114 114 TRP C C 13 178.1 . . 1 . . . . 112 W C . 26731 1 516 . 1 1 114 114 TRP CA C 13 59.53 . . 1 . . . . 112 W CA . 26731 1 517 . 1 1 114 114 TRP CB C 13 26.46 . . 1 . . . . 112 W CB . 26731 1 518 . 1 1 114 114 TRP N N 15 117.1 . . 1 . . . . 112 W N . 26731 1 519 . 1 1 115 115 GLU H H 1 6.322 . . 1 . . . . 113 E H . 26731 1 520 . 1 1 115 115 GLU C C 13 180.2 . . 1 . . . . 113 E C . 26731 1 521 . 1 1 115 115 GLU CA C 13 58.29 . . 1 . . . . 113 E CA . 26731 1 522 . 1 1 115 115 GLU CB C 13 29.16 . . 1 . . . . 113 E CB . 26731 1 523 . 1 1 115 115 GLU N N 15 122.7 . . 1 . . . . 113 E N . 26731 1 524 . 1 1 116 116 ILE H H 1 7.784 . . 1 . . . . 114 I H . 26731 1 525 . 1 1 116 116 ILE C C 13 176.6 . . 1 . . . . 114 I C . 26731 1 526 . 1 1 116 116 ILE CA C 13 65.44 . . 1 . . . . 114 I CA . 26731 1 527 . 1 1 116 116 ILE CB C 13 36.23 . . 1 . . . . 114 I CB . 26731 1 528 . 1 1 116 116 ILE N N 15 123.7 . . 1 . . . . 114 I N . 26731 1 529 . 1 1 117 117 ARG H H 1 8.408 . . 1 . . . . 115 R H . 26731 1 530 . 1 1 117 117 ARG C C 13 177.3 . . 1 . . . . 115 R C . 26731 1 531 . 1 1 117 117 ARG CA C 13 60.11 . . 1 . . . . 115 R CA . 26731 1 532 . 1 1 117 117 ARG CB C 13 28.61 . . 1 . . . . 115 R CB . 26731 1 533 . 1 1 117 117 ARG N N 15 121.8 . . 1 . . . . 115 R N . 26731 1 534 . 1 1 118 118 ASP H H 1 7.855 . . 1 . . . . 116 D H . 26731 1 535 . 1 1 118 118 ASP C C 13 179.2 . . 1 . . . . 116 D C . 26731 1 536 . 1 1 118 118 ASP CA C 13 57 . . 1 . . . . 116 D CA . 26731 1 537 . 1 1 118 118 ASP CB C 13 39.46 . . 1 . . . . 116 D CB . 26731 1 538 . 1 1 118 118 ASP N N 15 116.6 . . 1 . . . . 116 D N . 26731 1 539 . 1 1 119 119 ARG H H 1 7.996 . . 1 . . . . 117 R H . 26731 1 540 . 1 1 119 119 ARG C C 13 177.5 . . 1 . . . . 117 R C . 26731 1 541 . 1 1 119 119 ARG CA C 13 59.27 . . 1 . . . . 117 R CA . 26731 1 542 . 1 1 119 119 ARG CB C 13 28.57 . . 1 . . . . 117 R CB . 26731 1 543 . 1 1 119 119 ARG N N 15 123.8 . . 1 . . . . 117 R N . 26731 1 544 . 1 1 120 120 LEU H H 1 8.589 . . 1 . . . . 118 L H . 26731 1 545 . 1 1 120 120 LEU C C 13 180.6 . . 1 . . . . 118 L C . 26731 1 546 . 1 1 120 120 LEU CA C 13 57.58 . . 1 . . . . 118 L CA . 26731 1 547 . 1 1 120 120 LEU CB C 13 41.7 . . 1 . . . . 118 L CB . 26731 1 548 . 1 1 120 120 LEU N N 15 119.8 . . 1 . . . . 118 L N . 26731 1 549 . 1 1 121 121 LEU H H 1 7.358 . . 1 . . . . 119 L H . 26731 1 550 . 1 1 121 121 LEU C C 13 181.1 . . 1 . . . . 119 L C . 26731 1 551 . 1 1 121 121 LEU CA C 13 56.54 . . 1 . . . . 119 L CA . 26731 1 552 . 1 1 121 121 LEU CB C 13 41.34 . . 1 . . . . 119 L CB . 26731 1 553 . 1 1 121 121 LEU N N 15 117.4 . . 1 . . . . 119 L N . 26731 1 554 . 1 1 122 122 ALA H H 1 8.721 . . 1 . . . . 120 A H . 26731 1 555 . 1 1 122 122 ALA C C 13 180.5 . . 1 . . . . 120 A C . 26731 1 556 . 1 1 122 122 ALA CA C 13 54.9 . . 1 . . . . 120 A CA . 26731 1 557 . 1 1 122 122 ALA CB C 13 17.66 . . 1 . . . . 120 A CB . 26731 1 558 . 1 1 122 122 ALA N N 15 126.2 . . 1 . . . . 120 A N . 26731 1 559 . 1 1 123 123 GLU H H 1 8.521 . . 1 . . . . 121 E H . 26731 1 560 . 1 1 123 123 GLU C C 13 175.7 . . 1 . . . . 121 E C . 26731 1 561 . 1 1 123 123 GLU CA C 13 56.1 . . 1 . . . . 121 E CA . 26731 1 562 . 1 1 123 123 GLU CB C 13 28.6 . . 1 . . . . 121 E CB . 26731 1 563 . 1 1 123 123 GLU N N 15 114.3 . . 1 . . . . 121 E N . 26731 1 564 . 1 1 124 124 ARG H H 1 7.909 . . 1 . . . . 122 R H . 26731 1 565 . 1 1 124 124 ARG C C 13 176.1 . . 1 . . . . 122 R C . 26731 1 566 . 1 1 124 124 ARG CA C 13 56.77 . . 1 . . . . 122 R CA . 26731 1 567 . 1 1 124 124 ARG CB C 13 25.06 . . 1 . . . . 122 R CB . 26731 1 568 . 1 1 124 124 ARG N N 15 114.6 . . 1 . . . . 122 R N . 26731 1 569 . 1 1 125 125 VAL H H 1 8.327 . . 1 . . . . 123 V H . 26731 1 570 . 1 1 125 125 VAL C C 13 176.7 . . 1 . . . . 123 V C . 26731 1 571 . 1 1 125 125 VAL CA C 13 64.41 . . 1 . . . . 123 V CA . 26731 1 572 . 1 1 125 125 VAL CB C 13 31.7 . . 1 . . . . 123 V CB . 26731 1 573 . 1 1 125 125 VAL N N 15 120.8 . . 1 . . . . 123 V N . 26731 1 574 . 1 1 126 126 CYS H H 1 7.256 . . 1 . . . . 124 C H . 26731 1 575 . 1 1 126 126 CYS C C 13 172.1 . . 1 . . . . 124 C C . 26731 1 576 . 1 1 126 126 CYS CA C 13 55.47 . . 1 . . . . 124 C CA . 26731 1 577 . 1 1 126 126 CYS CB C 13 31.77 . . 1 . . . . 124 C CB . 26731 1 578 . 1 1 126 126 CYS N N 15 112.7 . . 1 . . . . 124 C N . 26731 1 579 . 1 1 127 127 ASP H H 1 7.692 . . 1 . . . . 125 D H . 26731 1 580 . 1 1 127 127 ASP C C 13 176.4 . . 1 . . . . 125 D C . 26731 1 581 . 1 1 127 127 ASP CA C 13 52.19 . . 1 . . . . 125 D CA . 26731 1 582 . 1 1 127 127 ASP CB C 13 41.88 . . 1 . . . . 125 D CB . 26731 1 583 . 1 1 127 127 ASP N N 15 120.4 . . 1 . . . . 125 D N . 26731 1 584 . 1 1 128 128 ASN H H 1 8.634 . . 1 . . . . 126 N H . 26731 1 585 . 1 1 128 128 ASN C C 13 176 . . 1 . . . . 126 N C . 26731 1 586 . 1 1 128 128 ASN CA C 13 56.39 . . 1 . . . . 126 N CA . 26731 1 587 . 1 1 128 128 ASN CB C 13 37.85 . . 1 . . . . 126 N CB . 26731 1 588 . 1 1 128 128 ASN N N 15 116.5 . . 1 . . . . 126 N N . 26731 1 589 . 1 1 129 129 ASP H H 1 8.421 . . 1 . . . . 127 D H . 26731 1 590 . 1 1 129 129 ASP C C 13 177.1 . . 1 . . . . 127 D C . 26731 1 591 . 1 1 129 129 ASP CA C 13 55.03 . . 1 . . . . 127 D CA . 26731 1 592 . 1 1 129 129 ASP CB C 13 40.54 . . 1 . . . . 127 D CB . 26731 1 593 . 1 1 129 129 ASP N N 15 115.5 . . 1 . . . . 127 D N . 26731 1 594 . 1 1 130 130 THR H H 1 7.699 . . 1 . . . . 128 T H . 26731 1 595 . 1 1 130 130 THR C C 13 174.2 . . 1 . . . . 128 T C . 26731 1 596 . 1 1 130 130 THR CA C 13 60.28 . . 1 . . . . 128 T CA . 26731 1 597 . 1 1 130 130 THR CB C 13 70.2 . . 1 . . . . 128 T CB . 26731 1 598 . 1 1 130 130 THR N N 15 109.3 . . 1 . . . . 128 T N . 26731 1 599 . 1 1 131 131 VAL H H 1 7.62 . . 1 . . . . 129 V H . 26731 1 600 . 1 1 131 131 VAL C C 13 172.7 . . 1 . . . . 129 V C . 26731 1 601 . 1 1 131 131 VAL CA C 13 57.82 . . 1 . . . . 129 V CA . 26731 1 602 . 1 1 131 131 VAL CB C 13 32.01 . . 1 . . . . 129 V CB . 26731 1 603 . 1 1 131 131 VAL N N 15 124.3 . . 1 . . . . 129 V N . 26731 1 604 . 1 1 132 132 PRO C C 13 175.5 . . 1 . . . . 130 P C . 26731 1 605 . 1 1 132 132 PRO CA C 13 61.55 . . 1 . . . . 130 P CA . 26731 1 606 . 1 1 132 132 PRO CB C 13 31.03 . . 1 . . . . 130 P CB . 26731 1 607 . 1 1 133 133 SER H H 1 8.047 . . 1 . . . . 131 S H . 26731 1 608 . 1 1 133 133 SER C C 13 175.4 . . 1 . . . . 131 S C . 26731 1 609 . 1 1 133 133 SER CA C 13 57.84 . . 1 . . . . 131 S CA . 26731 1 610 . 1 1 133 133 SER CB C 13 65.18 . . 1 . . . . 131 S CB . 26731 1 611 . 1 1 133 133 SER N N 15 113.8 . . 1 . . . . 131 S N . 26731 1 612 . 1 1 134 134 VAL H H 1 9.195 . . 1 . . . . 132 V H . 26731 1 613 . 1 1 134 134 VAL C C 13 177.6 . . 1 . . . . 132 V C . 26731 1 614 . 1 1 134 134 VAL CA C 13 67.54 . . 1 . . . . 132 V CA . 26731 1 615 . 1 1 134 134 VAL CB C 13 30.68 . . 1 . . . . 132 V CB . 26731 1 616 . 1 1 134 134 VAL N N 15 121.8 . . 1 . . . . 132 V N . 26731 1 617 . 1 1 135 135 SER H H 1 8.451 . . 1 . . . . 133 S H . 26731 1 618 . 1 1 135 135 SER C C 13 178.8 . . 1 . . . . 133 S C . 26731 1 619 . 1 1 135 135 SER CA C 13 60.95 . . 1 . . . . 133 S CA . 26731 1 620 . 1 1 135 135 SER CB C 13 62.42 . . 1 . . . . 133 S CB . 26731 1 621 . 1 1 135 135 SER N N 15 112.2 . . 1 . . . . 133 S N . 26731 1 622 . 1 1 136 136 SER H H 1 8.098 . . 1 . . . . 134 S H . 26731 1 623 . 1 1 136 136 SER C C 13 175.4 . . 1 . . . . 134 S C . 26731 1 624 . 1 1 136 136 SER CA C 13 61.91 . . 1 . . . . 134 S CA . 26731 1 625 . 1 1 136 136 SER CB C 13 61.87 . . 1 . . . . 134 S CB . 26731 1 626 . 1 1 136 136 SER N N 15 118.7 . . 1 . . . . 134 S N . 26731 1 627 . 1 1 137 137 ILE H H 1 8.7 . . 1 . . . . 135 I H . 26731 1 628 . 1 1 137 137 ILE C C 13 177.2 . . 1 . . . . 135 I C . 26731 1 629 . 1 1 137 137 ILE CA C 13 66.21 . . 1 . . . . 135 I CA . 26731 1 630 . 1 1 137 137 ILE CB C 13 36.53 . . 1 . . . . 135 I CB . 26731 1 631 . 1 1 137 137 ILE N N 15 124.3 . . 1 . . . . 135 I N . 26731 1 632 . 1 1 138 138 ASN H H 1 8.154 . . 1 . . . . 136 N H . 26731 1 633 . 1 1 138 138 ASN C C 13 177.7 . . 1 . . . . 136 N C . 26731 1 634 . 1 1 138 138 ASN CA C 13 56.57 . . 1 . . . . 136 N CA . 26731 1 635 . 1 1 138 138 ASN CB C 13 36.81 . . 1 . . . . 136 N CB . 26731 1 636 . 1 1 138 138 ASN N N 15 117.2 . . 1 . . . . 136 N N . 26731 1 637 . 1 1 139 139 ARG H H 1 8.276 . . 1 . . . . 137 R H . 26731 1 638 . 1 1 139 139 ARG C C 13 179.4 . . 1 . . . . 137 R C . 26731 1 639 . 1 1 139 139 ARG CA C 13 59.67 . . 1 . . . . 137 R CA . 26731 1 640 . 1 1 139 139 ARG CB C 13 29.38 . . 1 . . . . 137 R CB . 26731 1 641 . 1 1 139 139 ARG N N 15 123.4 . . 1 . . . . 137 R N . 26731 1 642 . 1 1 140 140 ILE H H 1 9.048 . . 1 . . . . 138 I H . 26731 1 643 . 1 1 140 140 ILE C C 13 178.4 . . 1 . . . . 138 I C . 26731 1 644 . 1 1 140 140 ILE CA C 13 64.56 . . 1 . . . . 138 I CA . 26731 1 645 . 1 1 140 140 ILE CB C 13 36.94 . . 1 . . . . 138 I CB . 26731 1 646 . 1 1 140 140 ILE N N 15 124.3 . . 1 . . . . 138 I N . 26731 1 647 . 1 1 141 141 ILE H H 1 8.399 . . 1 . . . . 139 I H . 26731 1 648 . 1 1 141 141 ILE C C 13 177.7 . . 1 . . . . 139 I C . 26731 1 649 . 1 1 141 141 ILE CA C 13 65.57 . . 1 . . . . 139 I CA . 26731 1 650 . 1 1 141 141 ILE CB C 13 36.89 . . 1 . . . . 139 I CB . 26731 1 651 . 1 1 141 141 ILE N N 15 122.3 . . 1 . . . . 139 I N . 26731 1 652 . 1 1 142 142 ARG H H 1 8.081 . . 1 . . . . 140 R H . 26731 1 653 . 1 1 142 142 ARG C C 13 178.2 . . 1 . . . . 140 R C . 26731 1 654 . 1 1 142 142 ARG CA C 13 58.77 . . 1 . . . . 140 R CA . 26731 1 655 . 1 1 142 142 ARG CB C 13 30.22 . . 1 . . . . 140 R CB . 26731 1 656 . 1 1 142 142 ARG N N 15 115.9 . . 1 . . . . 140 R N . 26731 1 657 . 1 1 143 143 THR H H 1 7.884 . . 1 . . . . 141 T H . 26731 1 658 . 1 1 143 143 THR C C 13 176.1 . . 1 . . . . 141 T C . 26731 1 659 . 1 1 143 143 THR CA C 13 62.64 . . 1 . . . . 141 T CA . 26731 1 660 . 1 1 143 143 THR CB C 13 70.95 . . 1 . . . . 141 T CB . 26731 1 661 . 1 1 143 143 THR N N 15 106.8 . . 1 . . . . 141 T N . 26731 1 662 . 1 1 144 144 LYS H H 1 8.484 . . 1 . . . . 142 K H . 26731 1 663 . 1 1 144 144 LYS C C 13 176.8 . . 1 . . . . 142 K C . 26731 1 664 . 1 1 144 144 LYS CA C 13 55.54 . . 1 . . . . 142 K CA . 26731 1 665 . 1 1 144 144 LYS CB C 13 33.44 . . 1 . . . . 142 K CB . 26731 1 666 . 1 1 144 144 LYS N N 15 120.1 . . 1 . . . . 142 K N . 26731 1 667 . 1 1 145 145 VAL H H 1 7.462 . . 1 . . . . 143 V H . 26731 1 668 . 1 1 145 145 VAL C C 13 175.9 . . 1 . . . . 143 V C . 26731 1 669 . 1 1 145 145 VAL CA C 13 63.01 . . 1 . . . . 143 V CA . 26731 1 670 . 1 1 145 145 VAL CB C 13 31.23 . . 1 . . . . 143 V CB . 26731 1 671 . 1 1 145 145 VAL N N 15 119.8 . . 1 . . . . 143 V N . 26731 1 672 . 1 1 146 146 GLN H H 1 8.326 . . 1 . . . . 144 Q H . 26731 1 673 . 1 1 146 146 GLN C C 13 175.5 . . 1 . . . . 144 Q C . 26731 1 674 . 1 1 146 146 GLN CA C 13 55.08 . . 1 . . . . 144 Q CA . 26731 1 675 . 1 1 146 146 GLN CB C 13 28.33 . . 1 . . . . 144 Q CB . 26731 1 676 . 1 1 146 146 GLN N N 15 122.3 . . 1 . . . . 144 Q N . 26731 1 677 . 1 1 147 147 GLN H H 1 8.256 . . 1 . . . . 145 Q H . 26731 1 678 . 1 1 147 147 GLN C C 13 173.7 . . 1 . . . . 145 Q C . 26731 1 679 . 1 1 147 147 GLN CA C 13 53.09 . . 1 . . . . 145 Q CA . 26731 1 680 . 1 1 147 147 GLN CB C 13 28.09 . . 1 . . . . 145 Q CB . 26731 1 681 . 1 1 147 147 GLN N N 15 123 . . 1 . . . . 145 Q N . 26731 1 682 . 1 1 149 149 PRO C C 13 176.7 . . 1 . . . . 147 P C . 26731 1 683 . 1 1 149 149 PRO CA C 13 62.5 . . 1 . . . . 147 P CA . 26731 1 684 . 1 1 149 149 PRO CB C 13 31.18 . . 1 . . . . 147 P CB . 26731 1 685 . 1 1 150 150 ASN H H 1 8.437 . . 1 . . . . 148 N H . 26731 1 686 . 1 1 150 150 ASN C C 13 174.2 . . 1 . . . . 148 N C . 26731 1 687 . 1 1 150 150 ASN CA C 13 53.05 . . 1 . . . . 148 N CA . 26731 1 688 . 1 1 150 150 ASN CB C 13 38.21 . . 1 . . . . 148 N CB . 26731 1 689 . 1 1 150 150 ASN N N 15 119 . . 1 . . . . 148 N N . 26731 1 690 . 1 1 151 151 GLN H H 1 7.861 . . 1 . . . . 149 Q H . 26731 1 691 . 1 1 151 151 GLN C C 13 180.3 . . 1 . . . . 149 Q C . 26731 1 692 . 1 1 151 151 GLN CA C 13 56.84 . . 1 . . . . 149 Q CA . 26731 1 693 . 1 1 151 151 GLN CB C 13 29.7 . . 1 . . . . 149 Q CB . 26731 1 694 . 1 1 151 151 GLN N N 15 125.4 . . 1 . . . . 149 Q N . 26731 1 stop_ save_