data_27742 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27742 _Entry.Title ; hSmad2 MH1 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-12-24 _Entry.Accession_date 2018-12-24 _Entry.Last_release_date 2019-01-02 _Entry.Original_release_date 2019-01-02 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'hSmad2 MH1 domain, residues 10-180' _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 Maria Macias . J. . . 27742 2 Pau Martin . . . . 27742 3 Eric Aragon . . . . 27742 4 Lidia Ruiz . . . . 27742 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27742 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 276 27742 '15N chemical shifts' 128 27742 '1H chemical shifts' 128 27742 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2020-01-30 2018-12-24 update BMRB 'update entry citation' 27742 1 . . 2019-09-23 2018-12-24 original author 'original release' 27742 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27743 'hSmad2-beta MH1 domain' 27742 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27742 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31582430 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural basis for distinct roles of SMAD2 and SMAD3 in FOXH1 pioneer-directed TGF-beta signaling ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Genes Dev.' _Citation.Journal_name_full 'Genes & Development' _Citation.Journal_volume 33 _Citation.Journal_issue 21-22 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1549-5477 _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 1506 _Citation.Page_last 1524 _Citation.Year 2019 _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 Eric Aragon . . . . 27742 1 2 Qiong Wang . . . . 27742 1 3 Yilong Zou . . . . 27742 1 4 Sophie Morgani . M. . . 27742 1 5 Lidia Ruiz . . . . 27742 1 6 Zuzanna Kaczmarska . . . . 27742 1 7 Jie Su . . . . 27742 1 8 Carles Torner . . . . 27742 1 9 Lin Tian . . . . 27742 1 10 Jing Hu . . . . 27742 1 11 Weiping Shu . . . . 27742 1 12 Saloni Agrawal . . . . 27742 1 13 Tiago Gomes . . . . 27742 1 14 Jose Marquez . A. . . 27742 1 15 Anna-Katerina Hadjantonakis . . . . 27742 1 16 Maria Macias . J. . . 27742 1 17 Joan Massague . . . . 27742 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27742 _Assembly.ID 1 _Assembly.Name 'hSmad2 MH1 domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 smad2 1 $smad2 A . yes native no no . . . 27742 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_smad2 _Entity.Sf_category entity _Entity.Sf_framecode smad2 _Entity.Entry_ID 27742 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name smad2 _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 ; MSSILPFTPPVVKRLLGWKK SAGGSGGAGGGEQNGQEEKW CEKAVKSLVKKLKKTGRLDE LEKAITTQNCNTKCVTIPST CSEIWGLSTPNTIDQWDTTG LYSFSEQTRSLDGRLQVSHR KGLPHVIYCRLWRWPDLHSH HELKAIENCEYAFNLKKDEV CVNPYHYQRVETPVLPPVLV ; _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 180 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment MH1 _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_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 UNP Q15796-1 . . . . . . . . . . . . . . . . 27742 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 MET . 27742 1 2 2 SER . 27742 1 3 3 SER . 27742 1 4 4 ILE . 27742 1 5 5 LEU . 27742 1 6 6 PRO . 27742 1 7 7 PHE . 27742 1 8 8 THR . 27742 1 9 9 PRO . 27742 1 10 10 PRO . 27742 1 11 11 VAL . 27742 1 12 12 VAL . 27742 1 13 13 LYS . 27742 1 14 14 ARG . 27742 1 15 15 LEU . 27742 1 16 16 LEU . 27742 1 17 17 GLY . 27742 1 18 18 TRP . 27742 1 19 19 LYS . 27742 1 20 20 LYS . 27742 1 21 21 SER . 27742 1 22 22 ALA . 27742 1 23 23 GLY . 27742 1 24 24 GLY . 27742 1 25 25 SER . 27742 1 26 26 GLY . 27742 1 27 27 GLY . 27742 1 28 28 ALA . 27742 1 29 29 GLY . 27742 1 30 30 GLY . 27742 1 31 31 GLY . 27742 1 32 32 GLU . 27742 1 33 33 GLN . 27742 1 34 34 ASN . 27742 1 35 35 GLY . 27742 1 36 36 GLN . 27742 1 37 37 GLU . 27742 1 38 38 GLU . 27742 1 39 39 LYS . 27742 1 40 40 TRP . 27742 1 41 41 CYS . 27742 1 42 42 GLU . 27742 1 43 43 LYS . 27742 1 44 44 ALA . 27742 1 45 45 VAL . 27742 1 46 46 LYS . 27742 1 47 47 SER . 27742 1 48 48 LEU . 27742 1 49 49 VAL . 27742 1 50 50 LYS . 27742 1 51 51 LYS . 27742 1 52 52 LEU . 27742 1 53 53 LYS . 27742 1 54 54 LYS . 27742 1 55 55 THR . 27742 1 56 56 GLY . 27742 1 57 57 ARG . 27742 1 58 58 LEU . 27742 1 59 59 ASP . 27742 1 60 60 GLU . 27742 1 61 61 LEU . 27742 1 62 62 GLU . 27742 1 63 63 LYS . 27742 1 64 64 ALA . 27742 1 65 65 ILE . 27742 1 66 66 THR . 27742 1 67 67 THR . 27742 1 68 68 GLN . 27742 1 69 69 ASN . 27742 1 70 70 CYS . 27742 1 71 71 ASN . 27742 1 72 72 THR . 27742 1 73 73 LYS . 27742 1 74 74 CYS . 27742 1 75 75 VAL . 27742 1 76 76 THR . 27742 1 77 77 ILE . 27742 1 78 78 PRO . 27742 1 79 79 SER . 27742 1 80 80 THR . 27742 1 81 81 CYS . 27742 1 82 82 SER . 27742 1 83 83 GLU . 27742 1 84 84 ILE . 27742 1 85 85 TRP . 27742 1 86 86 GLY . 27742 1 87 87 LEU . 27742 1 88 88 SER . 27742 1 89 89 THR . 27742 1 90 90 PRO . 27742 1 91 91 ASN . 27742 1 92 92 THR . 27742 1 93 93 ILE . 27742 1 94 94 ASP . 27742 1 95 95 GLN . 27742 1 96 96 TRP . 27742 1 97 97 ASP . 27742 1 98 98 THR . 27742 1 99 99 THR . 27742 1 100 100 GLY . 27742 1 101 101 LEU . 27742 1 102 102 TYR . 27742 1 103 103 SER . 27742 1 104 104 PHE . 27742 1 105 105 SER . 27742 1 106 106 GLU . 27742 1 107 107 GLN . 27742 1 108 108 THR . 27742 1 109 109 ARG . 27742 1 110 110 SER . 27742 1 111 111 LEU . 27742 1 112 112 ASP . 27742 1 113 113 GLY . 27742 1 114 114 ARG . 27742 1 115 115 LEU . 27742 1 116 116 GLN . 27742 1 117 117 VAL . 27742 1 118 118 SER . 27742 1 119 119 HIS . 27742 1 120 120 ARG . 27742 1 121 121 LYS . 27742 1 122 122 GLY . 27742 1 123 123 LEU . 27742 1 124 124 PRO . 27742 1 125 125 HIS . 27742 1 126 126 VAL . 27742 1 127 127 ILE . 27742 1 128 128 TYR . 27742 1 129 129 CYS . 27742 1 130 130 ARG . 27742 1 131 131 LEU . 27742 1 132 132 TRP . 27742 1 133 133 ARG . 27742 1 134 134 TRP . 27742 1 135 135 PRO . 27742 1 136 136 ASP . 27742 1 137 137 LEU . 27742 1 138 138 HIS . 27742 1 139 139 SER . 27742 1 140 140 HIS . 27742 1 141 141 HIS . 27742 1 142 142 GLU . 27742 1 143 143 LEU . 27742 1 144 144 LYS . 27742 1 145 145 ALA . 27742 1 146 146 ILE . 27742 1 147 147 GLU . 27742 1 148 148 ASN . 27742 1 149 149 CYS . 27742 1 150 150 GLU . 27742 1 151 151 TYR . 27742 1 152 152 ALA . 27742 1 153 153 PHE . 27742 1 154 154 ASN . 27742 1 155 155 LEU . 27742 1 156 156 LYS . 27742 1 157 157 LYS . 27742 1 158 158 ASP . 27742 1 159 159 GLU . 27742 1 160 160 VAL . 27742 1 161 161 CYS . 27742 1 162 162 VAL . 27742 1 163 163 ASN . 27742 1 164 164 PRO . 27742 1 165 165 TYR . 27742 1 166 166 HIS . 27742 1 167 167 TYR . 27742 1 168 168 GLN . 27742 1 169 169 ARG . 27742 1 170 170 VAL . 27742 1 171 171 GLU . 27742 1 172 172 THR . 27742 1 173 173 PRO . 27742 1 174 174 VAL . 27742 1 175 175 LEU . 27742 1 176 176 PRO . 27742 1 177 177 PRO . 27742 1 178 178 VAL . 27742 1 179 179 LEU . 27742 1 180 180 VAL . 27742 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 27742 1 . SER 2 2 27742 1 . SER 3 3 27742 1 . ILE 4 4 27742 1 . LEU 5 5 27742 1 . PRO 6 6 27742 1 . PHE 7 7 27742 1 . THR 8 8 27742 1 . PRO 9 9 27742 1 . PRO 10 10 27742 1 . VAL 11 11 27742 1 . VAL 12 12 27742 1 . LYS 13 13 27742 1 . ARG 14 14 27742 1 . LEU 15 15 27742 1 . LEU 16 16 27742 1 . GLY 17 17 27742 1 . TRP 18 18 27742 1 . LYS 19 19 27742 1 . LYS 20 20 27742 1 . SER 21 21 27742 1 . ALA 22 22 27742 1 . GLY 23 23 27742 1 . GLY 24 24 27742 1 . SER 25 25 27742 1 . GLY 26 26 27742 1 . GLY 27 27 27742 1 . ALA 28 28 27742 1 . GLY 29 29 27742 1 . GLY 30 30 27742 1 . GLY 31 31 27742 1 . GLU 32 32 27742 1 . GLN 33 33 27742 1 . ASN 34 34 27742 1 . GLY 35 35 27742 1 . GLN 36 36 27742 1 . GLU 37 37 27742 1 . GLU 38 38 27742 1 . LYS 39 39 27742 1 . TRP 40 40 27742 1 . CYS 41 41 27742 1 . GLU 42 42 27742 1 . LYS 43 43 27742 1 . ALA 44 44 27742 1 . VAL 45 45 27742 1 . LYS 46 46 27742 1 . SER 47 47 27742 1 . LEU 48 48 27742 1 . VAL 49 49 27742 1 . LYS 50 50 27742 1 . LYS 51 51 27742 1 . LEU 52 52 27742 1 . LYS 53 53 27742 1 . LYS 54 54 27742 1 . THR 55 55 27742 1 . GLY 56 56 27742 1 . ARG 57 57 27742 1 . LEU 58 58 27742 1 . ASP 59 59 27742 1 . GLU 60 60 27742 1 . LEU 61 61 27742 1 . GLU 62 62 27742 1 . LYS 63 63 27742 1 . ALA 64 64 27742 1 . ILE 65 65 27742 1 . THR 66 66 27742 1 . THR 67 67 27742 1 . GLN 68 68 27742 1 . ASN 69 69 27742 1 . CYS 70 70 27742 1 . ASN 71 71 27742 1 . THR 72 72 27742 1 . LYS 73 73 27742 1 . CYS 74 74 27742 1 . VAL 75 75 27742 1 . THR 76 76 27742 1 . ILE 77 77 27742 1 . PRO 78 78 27742 1 . SER 79 79 27742 1 . THR 80 80 27742 1 . CYS 81 81 27742 1 . SER 82 82 27742 1 . GLU 83 83 27742 1 . ILE 84 84 27742 1 . TRP 85 85 27742 1 . GLY 86 86 27742 1 . LEU 87 87 27742 1 . SER 88 88 27742 1 . THR 89 89 27742 1 . PRO 90 90 27742 1 . ASN 91 91 27742 1 . THR 92 92 27742 1 . ILE 93 93 27742 1 . ASP 94 94 27742 1 . GLN 95 95 27742 1 . TRP 96 96 27742 1 . ASP 97 97 27742 1 . THR 98 98 27742 1 . THR 99 99 27742 1 . GLY 100 100 27742 1 . LEU 101 101 27742 1 . TYR 102 102 27742 1 . SER 103 103 27742 1 . PHE 104 104 27742 1 . SER 105 105 27742 1 . GLU 106 106 27742 1 . GLN 107 107 27742 1 . THR 108 108 27742 1 . ARG 109 109 27742 1 . SER 110 110 27742 1 . LEU 111 111 27742 1 . ASP 112 112 27742 1 . GLY 113 113 27742 1 . ARG 114 114 27742 1 . LEU 115 115 27742 1 . GLN 116 116 27742 1 . VAL 117 117 27742 1 . SER 118 118 27742 1 . HIS 119 119 27742 1 . ARG 120 120 27742 1 . LYS 121 121 27742 1 . GLY 122 122 27742 1 . LEU 123 123 27742 1 . PRO 124 124 27742 1 . HIS 125 125 27742 1 . VAL 126 126 27742 1 . ILE 127 127 27742 1 . TYR 128 128 27742 1 . CYS 129 129 27742 1 . ARG 130 130 27742 1 . LEU 131 131 27742 1 . TRP 132 132 27742 1 . ARG 133 133 27742 1 . TRP 134 134 27742 1 . PRO 135 135 27742 1 . ASP 136 136 27742 1 . LEU 137 137 27742 1 . HIS 138 138 27742 1 . SER 139 139 27742 1 . HIS 140 140 27742 1 . HIS 141 141 27742 1 . GLU 142 142 27742 1 . LEU 143 143 27742 1 . LYS 144 144 27742 1 . ALA 145 145 27742 1 . ILE 146 146 27742 1 . GLU 147 147 27742 1 . ASN 148 148 27742 1 . CYS 149 149 27742 1 . GLU 150 150 27742 1 . TYR 151 151 27742 1 . ALA 152 152 27742 1 . PHE 153 153 27742 1 . ASN 154 154 27742 1 . LEU 155 155 27742 1 . LYS 156 156 27742 1 . LYS 157 157 27742 1 . ASP 158 158 27742 1 . GLU 159 159 27742 1 . VAL 160 160 27742 1 . CYS 161 161 27742 1 . VAL 162 162 27742 1 . ASN 163 163 27742 1 . PRO 164 164 27742 1 . TYR 165 165 27742 1 . HIS 166 166 27742 1 . TYR 167 167 27742 1 . GLN 168 168 27742 1 . ARG 169 169 27742 1 . VAL 170 170 27742 1 . GLU 171 171 27742 1 . THR 172 172 27742 1 . PRO 173 173 27742 1 . VAL 174 174 27742 1 . LEU 175 175 27742 1 . PRO 176 176 27742 1 . PRO 177 177 27742 1 . VAL 178 178 27742 1 . LEU 179 179 27742 1 . VAL 180 180 27742 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 27742 _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 $smad2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27742 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 27742 _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 $smad2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pETM11 . . . 27742 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27742 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 smad2 '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $smad2 . . 300 . . mM . . . . 27742 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 27742 1 3 'sodium chloride' 'natural abundance' . . . . . . 80 . . mM . . . . 27742 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 27742 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6 . pH 27742 1 pressure 1 . atm 27742 1 temperature 298K . K 27742 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27742 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27742 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27742 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27742 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27742 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27742 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 27742 _Software.ID 3 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 27742 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27742 3 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 27742 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 27742 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 . 600 . . . 27742 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 27742 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27742 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27742 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27742 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 27742 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 . . . . . 27742 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27742 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27742 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 27742 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27742 1 2 '3D CBCA(CO)NH' . . . 27742 1 3 '3D HNCACB' . . . 27742 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 10 10 PRO CA C 13 63.118 0.000 . . . . . . . 10 PRO CA . 27742 1 2 . 1 . 1 10 10 PRO CB C 13 28.472 0.000 . . . . . . . 10 PRO CB . 27742 1 3 . 1 . 1 11 11 VAL H H 1 7.543 0.000 . . . . . . . 11 VAL HN . 27742 1 4 . 1 . 1 11 11 VAL CA C 13 64.297 0.071 . . . . . . . 11 VAL CA . 27742 1 5 . 1 . 1 11 11 VAL CB C 13 28.730 0.000 . . . . . . . 11 VAL CB . 27742 1 6 . 1 . 1 11 11 VAL N N 15 121.516 0.000 . . . . . . . 11 VAL N . 27742 1 7 . 1 . 1 12 12 VAL H H 1 7.571 0.000 . . . . . . . 12 VAL HN . 27742 1 8 . 1 . 1 12 12 VAL CA C 13 56.750 0.000 . . . . . . . 12 VAL CA . 27742 1 9 . 1 . 1 12 12 VAL CB C 13 29.435 0.000 . . . . . . . 12 VAL CB . 27742 1 10 . 1 . 1 12 12 VAL N N 15 118.703 0.000 . . . . . . . 12 VAL N . 27742 1 11 . 1 . 1 13 13 LYS H H 1 7.302 0.000 . . . . . . . 13 LYS HN . 27742 1 12 . 1 . 1 13 13 LYS CA C 13 55.269 0.000 . . . . . . . 13 LYS CA . 27742 1 13 . 1 . 1 13 13 LYS CB C 13 29.469 0.114 . . . . . . . 13 LYS CB . 27742 1 14 . 1 . 1 13 13 LYS N N 15 117.585 0.000 . . . . . . . 13 LYS N . 27742 1 15 . 1 . 1 14 14 ARG H H 1 7.997 0.000 . . . . . . . 14 ARG HN . 27742 1 16 . 1 . 1 14 14 ARG CA C 13 53.789 0.000 . . . . . . . 14 ARG CA . 27742 1 17 . 1 . 1 14 14 ARG CB C 13 27.522 0.116 . . . . . . . 14 ARG CB . 27742 1 18 . 1 . 1 14 14 ARG N N 15 122.950 0.000 . . . . . . . 14 ARG N . 27742 1 19 . 1 . 1 15 15 LEU H H 1 8.253 0.000 . . . . . . . 15 LEU HN . 27742 1 20 . 1 . 1 15 15 LEU CA C 13 53.005 0.123 . . . . . . . 15 LEU CA . 27742 1 21 . 1 . 1 15 15 LEU CB C 13 38.540 0.000 . . . . . . . 15 LEU CB . 27742 1 22 . 1 . 1 15 15 LEU N N 15 124.132 0.000 . . . . . . . 15 LEU N . 27742 1 23 . 1 . 1 16 16 LEU H H 1 7.971 0.000 . . . . . . . 16 LEU HN . 27742 1 24 . 1 . 1 16 16 LEU CA C 13 51.559 0.037 . . . . . . . 16 LEU CA . 27742 1 25 . 1 . 1 16 16 LEU CB C 13 37.873 0.000 . . . . . . . 16 LEU CB . 27742 1 26 . 1 . 1 16 16 LEU N N 15 119.547 0.000 . . . . . . . 16 LEU N . 27742 1 27 . 1 . 1 17 17 GLY H H 1 8.285 0.000 . . . . . . . 17 GLY HN . 27742 1 28 . 1 . 1 17 17 GLY CA C 13 42.844 0.000 . . . . . . . 17 GLY CA . 27742 1 29 . 1 . 1 17 17 GLY N N 15 110.828 0.000 . . . . . . . 17 GLY N . 27742 1 30 . 1 . 1 18 18 TRP H H 1 8.202 0.000 . . . . . . . 18 TRP HN . 27742 1 31 . 1 . 1 18 18 TRP CA C 13 53.881 0.166 . . . . . . . 18 TRP CA . 27742 1 32 . 1 . 1 18 18 TRP CB C 13 26.980 0.101 . . . . . . . 18 TRP CB . 27742 1 33 . 1 . 1 18 18 TRP N N 15 121.235 0.000 . . . . . . . 18 TRP N . 27742 1 34 . 1 . 1 19 19 LYS H H 1 8.017 0.000 . . . . . . . 19 LYS HN . 27742 1 35 . 1 . 1 19 19 LYS CA C 13 54.715 0.002 . . . . . . . 19 LYS CA . 27742 1 36 . 1 . 1 19 19 LYS CB C 13 29.882 0.000 . . . . . . . 19 LYS CB . 27742 1 37 . 1 . 1 19 19 LYS N N 15 122.922 0.000 . . . . . . . 19 LYS N . 27742 1 38 . 1 . 1 20 20 LYS H H 1 8.367 0.000 . . . . . . . 20 LYS HN . 27742 1 39 . 1 . 1 20 20 LYS CA C 13 51.165 0.000 . . . . . . . 20 LYS CA . 27742 1 40 . 1 . 1 20 20 LYS CB C 13 30.343 0.000 . . . . . . . 20 LYS CB . 27742 1 41 . 1 . 1 20 20 LYS N N 15 125.032 0.000 . . . . . . . 20 LYS N . 27742 1 42 . 1 . 1 21 21 SER H H 1 8.429 0.000 . . . . . . . 21 SER HN . 27742 1 43 . 1 . 1 21 21 SER CA C 13 54.973 0.000 . . . . . . . 21 SER CA . 27742 1 44 . 1 . 1 21 21 SER CB C 13 61.756 0.034 . . . . . . . 21 SER CB . 27742 1 45 . 1 . 1 21 21 SER N N 15 118.721 0.000 . . . . . . . 21 SER N . 27742 1 46 . 1 . 1 22 22 ALA H H 1 8.723 0.000 . . . . . . . 22 ALA HN . 27742 1 47 . 1 . 1 22 22 ALA CA C 13 49.907 0.100 . . . . . . . 22 ALA CA . 27742 1 48 . 1 . 1 22 22 ALA CB C 13 16.110 0.000 . . . . . . . 22 ALA CB . 27742 1 49 . 1 . 1 22 22 ALA N N 15 128.107 0.000 . . . . . . . 22 ALA N . 27742 1 50 . 1 . 1 23 23 GLY H H 1 8.155 0.000 . . . . . . . 23 GLY HN . 27742 1 51 . 1 . 1 23 23 GLY CA C 13 42.643 0.000 . . . . . . . 23 GLY CA . 27742 1 52 . 1 . 1 23 23 GLY N N 15 108.859 0.000 . . . . . . . 23 GLY N . 27742 1 53 . 1 . 1 24 24 GLY H H 1 8.126 0.000 . . . . . . . 24 GLY HN . 27742 1 54 . 1 . 1 24 24 GLY CA C 13 42.662 0.080 . . . . . . . 24 GLY CA . 27742 1 55 . 1 . 1 24 24 GLY N N 15 110.265 0.000 . . . . . . . 24 GLY N . 27742 1 56 . 1 . 1 25 25 SER H H 1 8.232 0.000 . . . . . . . 25 SER HN . 27742 1 57 . 1 . 1 25 25 SER CA C 13 55.972 0.000 . . . . . . . 25 SER CA . 27742 1 58 . 1 . 1 25 25 SER CB C 13 61.311 0.000 . . . . . . . 25 SER CB . 27742 1 59 . 1 . 1 25 25 SER N N 15 116.946 0.000 . . . . . . . 25 SER N . 27742 1 60 . 1 . 1 26 26 GLY H H 1 8.384 0.000 . . . . . . . 26 GLY HN . 27742 1 61 . 1 . 1 26 26 GLY CA C 13 42.088 0.185 . . . . . . . 26 GLY CA . 27742 1 62 . 1 . 1 26 26 GLY N N 15 111.970 0.000 . . . . . . . 26 GLY N . 27742 1 63 . 1 . 1 27 27 GLY H H 1 8.098 0.000 . . . . . . . 27 GLY HN . 27742 1 64 . 1 . 1 27 27 GLY CA C 13 42.310 0.137 . . . . . . . 27 GLY CA . 27742 1 65 . 1 . 1 27 27 GLY N N 15 109.791 0.000 . . . . . . . 27 GLY N . 27742 1 66 . 1 . 1 28 28 ALA H H 1 8.117 0.000 . . . . . . . 28 ALA HN . 27742 1 67 . 1 . 1 28 28 ALA CA C 13 49.583 0.208 . . . . . . . 28 ALA CA . 27742 1 68 . 1 . 1 28 28 ALA CB C 13 16.065 0.070 . . . . . . . 28 ALA CB . 27742 1 69 . 1 . 1 28 28 ALA N N 15 124.891 0.000 . . . . . . . 28 ALA N . 27742 1 70 . 1 . 1 29 29 GLY H H 1 8.279 0.000 . . . . . . . 29 GLY HN . 27742 1 71 . 1 . 1 29 29 GLY CA C 13 42.520 0.000 . . . . . . . 29 GLY CA . 27742 1 72 . 1 . 1 29 29 GLY N N 15 109.111 0.000 . . . . . . . 29 GLY N . 27742 1 73 . 1 . 1 30 30 GLY H H 1 8.137 0.000 . . . . . . . 30 GLY HN . 27742 1 74 . 1 . 1 30 30 GLY N N 15 109.595 0.000 . . . . . . . 30 GLY N . 27742 1 75 . 1 . 1 31 31 GLY H H 1 8.064 0.000 . . . . . . . 31 GLY HN . 27742 1 76 . 1 . 1 31 31 GLY CA C 13 42.643 0.000 . . . . . . . 31 GLY CA . 27742 1 77 . 1 . 1 31 31 GLY N N 15 109.421 0.000 . . . . . . . 31 GLY N . 27742 1 78 . 1 . 1 32 32 GLU H H 1 8.265 0.000 . . . . . . . 32 GLU HN . 27742 1 79 . 1 . 1 32 32 GLU CA C 13 53.863 0.000 . . . . . . . 32 GLU CA . 27742 1 80 . 1 . 1 32 32 GLU CB C 13 26.992 0.000 . . . . . . . 32 GLU CB . 27742 1 81 . 1 . 1 32 32 GLU N N 15 121.767 0.000 . . . . . . . 32 GLU N . 27742 1 82 . 1 . 1 33 33 GLN H H 1 8.318 0.000 . . . . . . . 33 GLN HN . 27742 1 83 . 1 . 1 33 33 GLN CA C 13 53.863 0.000 . . . . . . . 33 GLN CA . 27742 1 84 . 1 . 1 33 33 GLN CB C 13 26.178 0.000 . . . . . . . 33 GLN CB . 27742 1 85 . 1 . 1 33 33 GLN N N 15 122.922 0.000 . . . . . . . 33 GLN N . 27742 1 86 . 1 . 1 34 34 ASN H H 1 8.334 0.000 . . . . . . . 34 ASN HN . 27742 1 87 . 1 . 1 34 34 ASN CA C 13 51.290 0.000 . . . . . . . 34 ASN CA . 27742 1 88 . 1 . 1 34 34 ASN CB C 13 35.949 0.000 . . . . . . . 34 ASN CB . 27742 1 89 . 1 . 1 34 34 ASN N N 15 120.732 0.000 . . . . . . . 34 ASN N . 27742 1 90 . 1 . 1 35 35 GLY H H 1 8.319 0.000 . . . . . . . 35 GLY HN . 27742 1 91 . 1 . 1 35 35 GLY CA C 13 43.499 0.000 . . . . . . . 35 GLY CA . 27742 1 92 . 1 . 1 35 35 GLY N N 15 110.476 0.000 . . . . . . . 35 GLY N . 27742 1 93 . 1 . 1 36 36 GLN H H 1 8.088 0.000 . . . . . . . 36 GLN HN . 27742 1 94 . 1 . 1 36 36 GLN CA C 13 54.659 0.000 . . . . . . . 36 GLN CA . 27742 1 95 . 1 . 1 36 36 GLN CB C 13 26.030 0.000 . . . . . . . 36 GLN CB . 27742 1 96 . 1 . 1 36 36 GLN N N 15 120.876 0.000 . . . . . . . 36 GLN N . 27742 1 97 . 1 . 1 37 37 GLU H H 1 8.177 0.000 . . . . . . . 37 GLU HN . 27742 1 98 . 1 . 1 37 37 GLU CA C 13 53.048 0.000 . . . . . . . 37 GLU CA . 27742 1 99 . 1 . 1 37 37 GLU CB C 13 26.349 0.000 . . . . . . . 37 GLU CB . 27742 1 100 . 1 . 1 37 37 GLU N N 15 122.241 0.000 . . . . . . . 37 GLU N . 27742 1 101 . 1 . 1 38 38 GLU H H 1 8.249 0.000 . . . . . . . 38 GLU HN . 27742 1 102 . 1 . 1 38 38 GLU CA C 13 54.370 0.000 . . . . . . . 38 GLU CA . 27742 1 103 . 1 . 1 38 38 GLU CB C 13 26.696 0.000 . . . . . . . 38 GLU CB . 27742 1 104 . 1 . 1 38 38 GLU N N 15 123.179 0.000 . . . . . . . 38 GLU N . 27742 1 105 . 1 . 1 39 39 LYS H H 1 8.316 0.000 . . . . . . . 39 LYS HN . 27742 1 106 . 1 . 1 39 39 LYS CA C 13 53.514 0.188 . . . . . . . 39 LYS CA . 27742 1 107 . 1 . 1 39 39 LYS CB C 13 26.178 0.000 . . . . . . . 39 LYS CB . 27742 1 108 . 1 . 1 39 39 LYS N N 15 121.824 0.000 . . . . . . . 39 LYS N . 27742 1 109 . 1 . 1 40 40 TRP H H 1 8.363 0.000 . . . . . . . 40 TRP HN . 27742 1 110 . 1 . 1 40 40 TRP CA C 13 54.132 0.121 . . . . . . . 40 TRP CA . 27742 1 111 . 1 . 1 40 40 TRP CB C 13 26.622 0.000 . . . . . . . 40 TRP CB . 27742 1 112 . 1 . 1 40 40 TRP N N 15 122.613 0.000 . . . . . . . 40 TRP N . 27742 1 113 . 1 . 1 41 41 CYS H H 1 8.023 0.000 . . . . . . . 41 CYS HN . 27742 1 114 . 1 . 1 41 41 CYS CA C 13 53.593 0.322 . . . . . . . 41 CYS CA . 27742 1 115 . 1 . 1 41 41 CYS CB C 13 27.502 0.000 . . . . . . . 41 CYS CB . 27742 1 116 . 1 . 1 41 41 CYS N N 15 123.204 0.000 . . . . . . . 41 CYS N . 27742 1 117 . 1 . 1 42 42 GLU H H 1 8.209 0.000 . . . . . . . 42 GLU HN . 27742 1 118 . 1 . 1 42 42 GLU CA C 13 53.839 0.000 . . . . . . . 42 GLU CA . 27742 1 119 . 1 . 1 42 42 GLU CB C 13 26.887 0.000 . . . . . . . 42 GLU CB . 27742 1 120 . 1 . 1 42 42 GLU N N 15 120.391 0.000 . . . . . . . 42 GLU N . 27742 1 121 . 1 . 1 43 43 LYS H H 1 7.962 0.000 . . . . . . . 43 LYS HN . 27742 1 122 . 1 . 1 43 43 LYS CA C 13 53.301 0.000 . . . . . . . 43 LYS CA . 27742 1 123 . 1 . 1 43 43 LYS CB C 13 29.620 0.068 . . . . . . . 43 LYS CB . 27742 1 124 . 1 . 1 43 43 LYS N N 15 122.978 0.000 . . . . . . . 43 LYS N . 27742 1 125 . 1 . 1 44 44 ALA H H 1 7.997 0.000 . . . . . . . 44 ALA HN . 27742 1 126 . 1 . 1 44 44 ALA CA C 13 49.781 0.158 . . . . . . . 44 ALA CA . 27742 1 127 . 1 . 1 44 44 ALA CB C 13 16.111 0.296 . . . . . . . 44 ALA CB . 27742 1 128 . 1 . 1 44 44 ALA N N 15 125.763 0.000 . . . . . . . 44 ALA N . 27742 1 129 . 1 . 1 45 45 VAL H H 1 8.518 0.000 . . . . . . . 45 VAL HN . 27742 1 130 . 1 . 1 45 45 VAL CA C 13 53.301 0.000 . . . . . . . 45 VAL CA . 27742 1 131 . 1 . 1 45 45 VAL CB C 13 30.650 0.000 . . . . . . . 45 VAL CB . 27742 1 132 . 1 . 1 45 45 VAL N N 15 120.391 0.000 . . . . . . . 45 VAL N . 27742 1 133 . 1 . 1 46 46 LYS H H 1 7.899 0.000 . . . . . . . 46 LYS HN . 27742 1 134 . 1 . 1 46 46 LYS CA C 13 53.685 0.000 . . . . . . . 46 LYS CA . 27742 1 135 . 1 . 1 46 46 LYS CB C 13 29.882 0.000 . . . . . . . 46 LYS CB . 27742 1 136 . 1 . 1 46 46 LYS N N 15 123.548 0.000 . . . . . . . 46 LYS N . 27742 1 137 . 1 . 1 47 47 SER H H 1 8.085 0.000 . . . . . . . 47 SER HN . 27742 1 138 . 1 . 1 47 47 SER CA C 13 54.914 0.000 . . . . . . . 47 SER CA . 27742 1 139 . 1 . 1 47 47 SER CB C 13 61.056 0.000 . . . . . . . 47 SER CB . 27742 1 140 . 1 . 1 47 47 SER N N 15 118.168 0.000 . . . . . . . 47 SER N . 27742 1 141 . 1 . 1 48 48 LEU H H 1 8.134 0.000 . . . . . . . 48 LEU HN . 27742 1 142 . 1 . 1 48 48 LEU CA C 13 52.994 0.000 . . . . . . . 48 LEU CA . 27742 1 143 . 1 . 1 48 48 LEU CB C 13 38.866 0.000 . . . . . . . 48 LEU CB . 27742 1 144 . 1 . 1 48 48 LEU N N 15 122.641 0.000 . . . . . . . 48 LEU N . 27742 1 145 . 1 . 1 51 51 LYS CA C 13 53.531 0.000 . . . . . . . 51 LYS CA . 27742 1 146 . 1 . 1 51 51 LYS CB C 13 26.427 0.000 . . . . . . . 51 LYS CB . 27742 1 147 . 1 . 1 52 52 LEU H H 1 7.966 0.000 . . . . . . . 52 LEU HN . 27742 1 148 . 1 . 1 52 52 LEU CA C 13 52.456 0.000 . . . . . . . 52 LEU CA . 27742 1 149 . 1 . 1 52 52 LEU CB C 13 38.233 0.017 . . . . . . . 52 LEU CB . 27742 1 150 . 1 . 1 52 52 LEU N N 15 126.750 0.000 . . . . . . . 52 LEU N . 27742 1 151 . 1 . 1 53 53 LYS H H 1 7.928 0.000 . . . . . . . 53 LYS HN . 27742 1 152 . 1 . 1 53 53 LYS CA C 13 53.608 0.000 . . . . . . . 53 LYS CA . 27742 1 153 . 1 . 1 53 53 LYS CB C 13 27.118 0.000 . . . . . . . 53 LYS CB . 27742 1 154 . 1 . 1 53 53 LYS N N 15 121.169 0.000 . . . . . . . 53 LYS N . 27742 1 155 . 1 . 1 55 55 THR CA C 13 58.896 0.000 . . . . . . . 55 THR CA . 27742 1 156 . 1 . 1 55 55 THR CB C 13 67.187 0.000 . . . . . . . 55 THR CB . 27742 1 157 . 1 . 1 56 56 GLY H H 1 8.286 0.000 . . . . . . . 56 GLY HN . 27742 1 158 . 1 . 1 56 56 GLY CA C 13 42.576 0.000 . . . . . . . 56 GLY CA . 27742 1 159 . 1 . 1 56 56 GLY N N 15 112.262 0.000 . . . . . . . 56 GLY N . 27742 1 160 . 1 . 1 57 57 ARG H H 1 8.075 0.000 . . . . . . . 57 ARG HN . 27742 1 161 . 1 . 1 57 57 ARG CA C 13 53.341 0.235 . . . . . . . 57 ARG CA . 27742 1 162 . 1 . 1 57 57 ARG CB C 13 27.417 0.067 . . . . . . . 57 ARG CB . 27742 1 163 . 1 . 1 57 57 ARG N N 15 121.516 0.000 . . . . . . . 57 ARG N . 27742 1 164 . 1 . 1 58 58 LEU H H 1 7.588 0.000 . . . . . . . 58 LEU HN . 27742 1 165 . 1 . 1 58 58 LEU CA C 13 55.067 0.000 . . . . . . . 58 LEU CA . 27742 1 166 . 1 . 1 58 58 LEU CB C 13 38.558 0.000 . . . . . . . 58 LEU CB . 27742 1 167 . 1 . 1 58 58 LEU N N 15 123.204 0.000 . . . . . . . 58 LEU N . 27742 1 168 . 1 . 1 59 59 ASP H H 1 8.217 0.000 . . . . . . . 59 ASP HN . 27742 1 169 . 1 . 1 59 59 ASP CA C 13 54.935 0.252 . . . . . . . 59 ASP CA . 27742 1 170 . 1 . 1 59 59 ASP CB C 13 36.300 0.104 . . . . . . . 59 ASP CB . 27742 1 171 . 1 . 1 59 59 ASP N N 15 118.798 0.000 . . . . . . . 59 ASP N . 27742 1 172 . 1 . 1 60 60 GLU H H 1 7.485 0.000 . . . . . . . 60 GLU HN . 27742 1 173 . 1 . 1 60 60 GLU CA C 13 55.912 0.000 . . . . . . . 60 GLU CA . 27742 1 174 . 1 . 1 60 60 GLU CB C 13 26.147 0.000 . . . . . . . 60 GLU CB . 27742 1 175 . 1 . 1 60 60 GLU N N 15 123.251 0.000 . . . . . . . 60 GLU N . 27742 1 176 . 1 . 1 61 61 LEU H H 1 7.278 0.000 . . . . . . . 61 LEU HN . 27742 1 177 . 1 . 1 61 61 LEU CA C 13 54.799 0.039 . . . . . . . 61 LEU CA . 27742 1 178 . 1 . 1 61 61 LEU CB C 13 36.886 0.060 . . . . . . . 61 LEU CB . 27742 1 179 . 1 . 1 61 61 LEU N N 15 119.601 0.000 . . . . . . . 61 LEU N . 27742 1 180 . 1 . 1 62 62 GLU H H 1 7.550 0.000 . . . . . . . 62 GLU HN . 27742 1 181 . 1 . 1 62 62 GLU CA C 13 56.296 0.000 . . . . . . . 62 GLU CA . 27742 1 182 . 1 . 1 62 62 GLU CB C 13 26.580 0.000 . . . . . . . 62 GLU CB . 27742 1 183 . 1 . 1 62 62 GLU N N 15 127.111 0.000 . . . . . . . 62 GLU N . 27742 1 184 . 1 . 1 63 63 LYS H H 1 7.574 0.000 . . . . . . . 63 LYS HN . 27742 1 185 . 1 . 1 63 63 LYS CA C 13 56.987 0.000 . . . . . . . 63 LYS CA . 27742 1 186 . 1 . 1 63 63 LYS CB C 13 29.188 0.094 . . . . . . . 63 LYS CB . 27742 1 187 . 1 . 1 63 63 LYS N N 15 119.547 0.000 . . . . . . . 63 LYS N . 27742 1 188 . 1 . 1 64 64 ALA H H 1 8.280 0.000 . . . . . . . 64 ALA HN . 27742 1 189 . 1 . 1 64 64 ALA CA C 13 53.450 0.000 . . . . . . . 64 ALA CA . 27742 1 190 . 1 . 1 64 64 ALA CB C 13 14.368 0.008 . . . . . . . 64 ALA CB . 27742 1 191 . 1 . 1 64 64 ALA N N 15 125.763 0.000 . . . . . . . 64 ALA N . 27742 1 192 . 1 . 1 65 65 ILE H H 1 7.645 0.000 . . . . . . . 65 ILE HN . 27742 1 193 . 1 . 1 65 65 ILE CA C 13 60.218 0.000 . . . . . . . 65 ILE CA . 27742 1 194 . 1 . 1 65 65 ILE CB C 13 34.430 0.000 . . . . . . . 65 ILE CB . 27742 1 195 . 1 . 1 65 65 ILE N N 15 113.725 0.000 . . . . . . . 65 ILE N . 27742 1 196 . 1 . 1 66 66 THR H H 1 7.509 0.000 . . . . . . . 66 THR HN . 27742 1 197 . 1 . 1 66 66 THR CA C 13 61.290 0.000 . . . . . . . 66 THR CA . 27742 1 198 . 1 . 1 66 66 THR CB C 13 66.930 0.032 . . . . . . . 66 THR CB . 27742 1 199 . 1 . 1 66 66 THR N N 15 108.852 0.000 . . . . . . . 66 THR N . 27742 1 200 . 1 . 1 67 67 THR H H 1 7.069 0.000 . . . . . . . 67 THR HN . 27742 1 201 . 1 . 1 67 67 THR CA C 13 58.942 0.000 . . . . . . . 67 THR CA . 27742 1 202 . 1 . 1 67 67 THR CB C 13 67.915 0.111 . . . . . . . 67 THR CB . 27742 1 203 . 1 . 1 67 67 THR N N 15 109.892 0.000 . . . . . . . 67 THR N . 27742 1 204 . 1 . 1 68 68 GLN H H 1 7.048 0.000 . . . . . . . 68 GLN HN . 27742 1 205 . 1 . 1 68 68 GLN CA C 13 53.224 0.000 . . . . . . . 68 GLN CA . 27742 1 206 . 1 . 1 68 68 GLN CB C 13 22.127 0.000 . . . . . . . 68 GLN CB . 27742 1 207 . 1 . 1 68 68 GLN N N 15 119.212 0.000 . . . . . . . 68 GLN N . 27742 1 208 . 1 . 1 69 69 ASN H H 1 6.355 0.000 . . . . . . . 69 ASN HN . 27742 1 209 . 1 . 1 69 69 ASN CA C 13 49.539 0.000 . . . . . . . 69 ASN CA . 27742 1 210 . 1 . 1 69 69 ASN CB C 13 37.100 0.000 . . . . . . . 69 ASN CB . 27742 1 211 . 1 . 1 69 69 ASN N N 15 115.328 0.000 . . . . . . . 69 ASN N . 27742 1 212 . 1 . 1 70 70 CYS H H 1 8.877 0.000 . . . . . . . 70 CYS HN . 27742 1 213 . 1 . 1 70 70 CYS CA C 13 56.997 0.000 . . . . . . . 70 CYS CA . 27742 1 214 . 1 . 1 70 70 CYS CB C 13 25.472 0.000 . . . . . . . 70 CYS CB . 27742 1 215 . 1 . 1 70 70 CYS N N 15 126.127 0.000 . . . . . . . 70 CYS N . 27742 1 216 . 1 . 1 71 71 ASN H H 1 8.271 0.000 . . . . . . . 71 ASN HN . 27742 1 217 . 1 . 1 71 71 ASN CA C 13 51.305 0.000 . . . . . . . 71 ASN CA . 27742 1 218 . 1 . 1 71 71 ASN CB C 13 34.795 0.000 . . . . . . . 71 ASN CB . 27742 1 219 . 1 . 1 71 71 ASN N N 15 120.672 0.000 . . . . . . . 71 ASN N . 27742 1 220 . 1 . 1 72 72 THR H H 1 6.846 0.000 . . . . . . . 72 THR HN . 27742 1 221 . 1 . 1 72 72 THR CA C 13 57.513 0.000 . . . . . . . 72 THR CA . 27742 1 222 . 1 . 1 72 72 THR CB C 13 68.972 0.000 . . . . . . . 72 THR CB . 27742 1 223 . 1 . 1 72 72 THR N N 15 109.034 0.000 . . . . . . . 72 THR N . 27742 1 224 . 1 . 1 73 73 LYS H H 1 9.333 0.000 . . . . . . . 73 LYS HN . 27742 1 225 . 1 . 1 73 73 LYS CA C 13 53.144 0.000 . . . . . . . 73 LYS CA . 27742 1 226 . 1 . 1 73 73 LYS CB C 13 30.518 0.126 . . . . . . . 73 LYS CB . 27742 1 227 . 1 . 1 73 73 LYS N N 15 122.509 0.000 . . . . . . . 73 LYS N . 27742 1 228 . 1 . 1 74 74 CYS H H 1 8.013 0.000 . . . . . . . 74 CYS HN . 27742 1 229 . 1 . 1 74 74 CYS CA C 13 60.764 0.000 . . . . . . . 74 CYS CA . 27742 1 230 . 1 . 1 74 74 CYS CB C 13 29.019 0.000 . . . . . . . 74 CYS CB . 27742 1 231 . 1 . 1 74 74 CYS N N 15 117.314 0.000 . . . . . . . 74 CYS N . 27742 1 232 . 1 . 1 75 75 VAL H H 1 8.012 0.000 . . . . . . . 75 VAL HN . 27742 1 233 . 1 . 1 75 75 VAL CA C 13 59.114 0.262 . . . . . . . 75 VAL CA . 27742 1 234 . 1 . 1 75 75 VAL CB C 13 30.132 0.424 . . . . . . . 75 VAL CB . 27742 1 235 . 1 . 1 75 75 VAL N N 15 124.587 0.000 . . . . . . . 75 VAL N . 27742 1 236 . 1 . 1 76 76 THR H H 1 7.450 0.000 . . . . . . . 76 THR HN . 27742 1 237 . 1 . 1 76 76 THR CA C 13 56.934 0.087 . . . . . . . 76 THR CA . 27742 1 238 . 1 . 1 76 76 THR CB C 13 67.797 0.216 . . . . . . . 76 THR CB . 27742 1 239 . 1 . 1 76 76 THR N N 15 115.637 0.000 . . . . . . . 76 THR N . 27742 1 240 . 1 . 1 77 77 ILE H H 1 8.021 0.000 . . . . . . . 77 ILE HN . 27742 1 241 . 1 . 1 77 77 ILE CA C 13 55.307 0.000 . . . . . . . 77 ILE CA . 27742 1 242 . 1 . 1 77 77 ILE CB C 13 36.490 0.000 . . . . . . . 77 ILE CB . 27742 1 243 . 1 . 1 77 77 ILE N N 15 113.306 0.000 . . . . . . . 77 ILE N . 27742 1 244 . 1 . 1 78 78 PRO CA C 13 60.366 0.000 . . . . . . . 78 PRO CA . 27742 1 245 . 1 . 1 78 78 PRO CB C 13 29.120 0.000 . . . . . . . 78 PRO CB . 27742 1 246 . 1 . 1 79 79 SER H H 1 8.282 0.000 . . . . . . . 79 SER HN . 27742 1 247 . 1 . 1 79 79 SER CA C 13 55.522 0.000 . . . . . . . 79 SER CA . 27742 1 248 . 1 . 1 79 79 SER CB C 13 61.265 0.000 . . . . . . . 79 SER CB . 27742 1 249 . 1 . 1 79 79 SER N N 15 117.320 0.000 . . . . . . . 79 SER N . 27742 1 250 . 1 . 1 80 80 THR H H 1 7.891 0.000 . . . . . . . 80 THR HN . 27742 1 251 . 1 . 1 80 80 THR CA C 13 56.863 0.000 . . . . . . . 80 THR CA . 27742 1 252 . 1 . 1 80 80 THR CB C 13 66.817 0.000 . . . . . . . 80 THR CB . 27742 1 253 . 1 . 1 80 80 THR N N 15 117.859 0.000 . . . . . . . 80 THR N . 27742 1 254 . 1 . 1 84 84 ILE CA C 13 58.753 0.000 . . . . . . . 84 ILE CA . 27742 1 255 . 1 . 1 84 84 ILE CB C 13 35.026 0.000 . . . . . . . 84 ILE CB . 27742 1 256 . 1 . 1 85 85 TRP H H 1 7.846 0.000 . . . . . . . 85 TRP HN . 27742 1 257 . 1 . 1 85 85 TRP CA C 13 54.980 0.066 . . . . . . . 85 TRP CA . 27742 1 258 . 1 . 1 85 85 TRP CB C 13 26.854 0.043 . . . . . . . 85 TRP CB . 27742 1 259 . 1 . 1 85 85 TRP N N 15 125.172 0.000 . . . . . . . 85 TRP N . 27742 1 260 . 1 . 1 86 86 GLY H H 1 7.904 0.000 . . . . . . . 86 GLY HN . 27742 1 261 . 1 . 1 86 86 GLY CA C 13 42.894 0.000 . . . . . . . 86 GLY CA . 27742 1 262 . 1 . 1 86 86 GLY N N 15 111.137 0.000 . . . . . . . 86 GLY N . 27742 1 263 . 1 . 1 87 87 LEU H H 1 7.733 0.000 . . . . . . . 87 LEU HN . 27742 1 264 . 1 . 1 87 87 LEU CA C 13 52.586 0.000 . . . . . . . 87 LEU CA . 27742 1 265 . 1 . 1 87 87 LEU CB C 13 39.124 0.062 . . . . . . . 87 LEU CB . 27742 1 266 . 1 . 1 87 87 LEU N N 15 122.387 0.000 . . . . . . . 87 LEU N . 27742 1 267 . 1 . 1 88 88 SER H H 1 8.096 0.000 . . . . . . . 88 SER HN . 27742 1 268 . 1 . 1 88 88 SER CA C 13 55.589 0.000 . . . . . . . 88 SER CA . 27742 1 269 . 1 . 1 88 88 SER CB C 13 61.156 0.000 . . . . . . . 88 SER CB . 27742 1 270 . 1 . 1 88 88 SER N N 15 117.314 0.000 . . . . . . . 88 SER N . 27742 1 271 . 1 . 1 89 89 THR H H 1 7.950 0.000 . . . . . . . 89 THR HN . 27742 1 272 . 1 . 1 89 89 THR CA C 13 56.847 0.000 . . . . . . . 89 THR CA . 27742 1 273 . 1 . 1 89 89 THR CB C 13 66.665 0.000 . . . . . . . 89 THR CB . 27742 1 274 . 1 . 1 89 89 THR N N 15 119.012 0.000 . . . . . . . 89 THR N . 27742 1 275 . 1 . 1 90 90 PRO CA C 13 60.552 0.000 . . . . . . . 90 PRO CA . 27742 1 276 . 1 . 1 90 90 PRO CB C 13 28.990 0.000 . . . . . . . 90 PRO CB . 27742 1 277 . 1 . 1 91 91 ASN H H 1 8.272 0.000 . . . . . . . 91 ASN HN . 27742 1 278 . 1 . 1 91 91 ASN CA C 13 51.162 0.000 . . . . . . . 91 ASN CA . 27742 1 279 . 1 . 1 91 91 ASN CB C 13 36.064 0.000 . . . . . . . 91 ASN CB . 27742 1 280 . 1 . 1 91 91 ASN N N 15 119.624 0.000 . . . . . . . 91 ASN N . 27742 1 281 . 1 . 1 92 92 THR H H 1 7.762 0.000 . . . . . . . 92 THR HN . 27742 1 282 . 1 . 1 92 92 THR CA C 13 58.875 0.277 . . . . . . . 92 THR CA . 27742 1 283 . 1 . 1 92 92 THR CB C 13 67.039 0.038 . . . . . . . 92 THR CB . 27742 1 284 . 1 . 1 92 92 THR N N 15 114.345 0.000 . . . . . . . 92 THR N . 27742 1 285 . 1 . 1 93 93 ILE H H 1 7.879 0.000 . . . . . . . 93 ILE HN . 27742 1 286 . 1 . 1 93 93 ILE CA C 13 59.278 0.000 . . . . . . . 93 ILE CA . 27742 1 287 . 1 . 1 93 93 ILE CB C 13 35.302 0.000 . . . . . . . 93 ILE CB . 27742 1 288 . 1 . 1 93 93 ILE N N 15 122.657 0.000 . . . . . . . 93 ILE N . 27742 1 289 . 1 . 1 94 94 ASP H H 1 7.880 0.000 . . . . . . . 94 ASP HN . 27742 1 290 . 1 . 1 94 94 ASP CA C 13 52.687 0.077 . . . . . . . 94 ASP CA . 27742 1 291 . 1 . 1 94 94 ASP CB C 13 39.058 0.115 . . . . . . . 94 ASP CB . 27742 1 292 . 1 . 1 94 94 ASP N N 15 122.657 0.000 . . . . . . . 94 ASP N . 27742 1 293 . 1 . 1 95 95 GLN H H 1 8.134 0.000 . . . . . . . 95 GLN HN . 27742 1 294 . 1 . 1 95 95 GLN CA C 13 55.528 0.000 . . . . . . . 95 GLN CA . 27742 1 295 . 1 . 1 95 95 GLN CB C 13 29.498 0.000 . . . . . . . 95 GLN CB . 27742 1 296 . 1 . 1 95 95 GLN N N 15 123.766 0.000 . . . . . . . 95 GLN N . 27742 1 297 . 1 . 1 96 96 TRP CA C 13 60.969 0.000 . . . . . . . 96 TRP CA . 27742 1 298 . 1 . 1 96 96 TRP CB C 13 28.472 0.000 . . . . . . . 96 TRP CB . 27742 1 299 . 1 . 1 97 97 ASP H H 1 8.248 0.000 . . . . . . . 97 ASP HN . 27742 1 300 . 1 . 1 97 97 ASP CA C 13 51.050 0.000 . . . . . . . 97 ASP CA . 27742 1 301 . 1 . 1 97 97 ASP CB C 13 35.948 0.000 . . . . . . . 97 ASP CB . 27742 1 302 . 1 . 1 97 97 ASP N N 15 119.095 0.000 . . . . . . . 97 ASP N . 27742 1 303 . 1 . 1 98 98 THR H H 1 7.863 0.000 . . . . . . . 98 THR HN . 27742 1 304 . 1 . 1 98 98 THR CA C 13 59.132 0.062 . . . . . . . 98 THR CA . 27742 1 305 . 1 . 1 98 98 THR CB C 13 66.850 0.000 . . . . . . . 98 THR CB . 27742 1 306 . 1 . 1 98 98 THR N N 15 115.146 0.000 . . . . . . . 98 THR N . 27742 1 307 . 1 . 1 99 99 THR H H 1 7.930 0.000 . . . . . . . 99 THR HN . 27742 1 308 . 1 . 1 99 99 THR CA C 13 59.096 0.097 . . . . . . . 99 THR CA . 27742 1 309 . 1 . 1 99 99 THR CB C 13 67.326 0.213 . . . . . . . 99 THR CB . 27742 1 310 . 1 . 1 99 99 THR N N 15 116.571 0.000 . . . . . . . 99 THR N . 27742 1 311 . 1 . 1 100 100 GLY H H 1 7.753 0.000 . . . . . . . 100 GLY HN . 27742 1 312 . 1 . 1 100 100 GLY CA C 13 43.858 0.000 . . . . . . . 100 GLY CA . 27742 1 313 . 1 . 1 100 100 GLY N N 15 110.546 0.000 . . . . . . . 100 GLY N . 27742 1 314 . 1 . 1 101 101 LEU CA C 13 51.919 0.000 . . . . . . . 101 LEU CA . 27742 1 315 . 1 . 1 101 101 LEU CB C 13 37.804 0.000 . . . . . . . 101 LEU CB . 27742 1 316 . 1 . 1 102 102 TYR H H 1 7.704 0.000 . . . . . . . 102 TYR HN . 27742 1 317 . 1 . 1 102 102 TYR CA C 13 54.899 0.000 . . . . . . . 102 TYR CA . 27742 1 318 . 1 . 1 102 102 TYR CB C 13 36.763 0.000 . . . . . . . 102 TYR CB . 27742 1 319 . 1 . 1 102 102 TYR N N 15 119.762 0.000 . . . . . . . 102 TYR N . 27742 1 320 . 1 . 1 103 103 SER H H 1 7.933 0.000 . . . . . . . 103 SER HN . 27742 1 321 . 1 . 1 103 103 SER CA C 13 55.713 0.000 . . . . . . . 103 SER CA . 27742 1 322 . 1 . 1 103 103 SER CB C 13 61.043 0.000 . . . . . . . 103 SER CB . 27742 1 323 . 1 . 1 103 103 SER N N 15 117.859 0.000 . . . . . . . 103 SER N . 27742 1 324 . 1 . 1 105 105 SER CA C 13 56.065 0.000 . . . . . . . 105 SER CA . 27742 1 325 . 1 . 1 105 105 SER CB C 13 61.133 0.000 . . . . . . . 105 SER CB . 27742 1 326 . 1 . 1 106 106 GLU H H 1 8.189 0.000 . . . . . . . 106 GLU HN . 27742 1 327 . 1 . 1 106 106 GLU CA C 13 54.529 0.076 . . . . . . . 106 GLU CA . 27742 1 328 . 1 . 1 106 106 GLU CB C 13 26.811 0.000 . . . . . . . 106 GLU CB . 27742 1 329 . 1 . 1 106 106 GLU N N 15 123.794 0.000 . . . . . . . 106 GLU N . 27742 1 330 . 1 . 1 107 107 GLN H H 1 8.305 0.000 . . . . . . . 107 GLN HN . 27742 1 331 . 1 . 1 107 107 GLN CA C 13 53.301 0.000 . . . . . . . 107 GLN CA . 27742 1 332 . 1 . 1 107 107 GLN CB C 13 26.273 0.000 . . . . . . . 107 GLN CB . 27742 1 333 . 1 . 1 107 107 GLN N N 15 121.235 0.000 . . . . . . . 107 GLN N . 27742 1 334 . 1 . 1 108 108 THR H H 1 8.091 0.000 . . . . . . . 108 THR HN . 27742 1 335 . 1 . 1 108 108 THR CA C 13 58.753 0.000 . . . . . . . 108 THR CA . 27742 1 336 . 1 . 1 108 108 THR CB C 13 67.115 0.038 . . . . . . . 108 THR CB . 27742 1 337 . 1 . 1 108 108 THR N N 15 119.709 0.000 . . . . . . . 108 THR N . 27742 1 338 . 1 . 1 109 109 ARG H H 1 8.107 0.000 . . . . . . . 109 ARG HN . 27742 1 339 . 1 . 1 109 109 ARG CA C 13 55.758 0.000 . . . . . . . 109 ARG CA . 27742 1 340 . 1 . 1 109 109 ARG CB C 13 35.579 0.000 . . . . . . . 109 ARG CB . 27742 1 341 . 1 . 1 109 109 ARG N N 15 126.888 0.000 . . . . . . . 109 ARG N . 27742 1 342 . 1 . 1 110 110 SER H H 1 7.799 0.000 . . . . . . . 110 SER HN . 27742 1 343 . 1 . 1 110 110 SER CA C 13 54.990 0.000 . . . . . . . 110 SER CA . 27742 1 344 . 1 . 1 110 110 SER CB C 13 61.594 0.000 . . . . . . . 110 SER CB . 27742 1 345 . 1 . 1 110 110 SER N N 15 117.255 0.000 . . . . . . . 110 SER N . 27742 1 346 . 1 . 1 111 111 LEU H H 1 8.295 0.000 . . . . . . . 111 LEU HN . 27742 1 347 . 1 . 1 111 111 LEU CA C 13 53.122 0.000 . . . . . . . 111 LEU CA . 27742 1 348 . 1 . 1 111 111 LEU CB C 13 38.111 0.238 . . . . . . . 111 LEU CB . 27742 1 349 . 1 . 1 111 111 LEU N N 15 124.891 0.000 . . . . . . . 111 LEU N . 27742 1 350 . 1 . 1 112 112 ASP H H 1 8.128 0.000 . . . . . . . 112 ASP HN . 27742 1 351 . 1 . 1 112 112 ASP CA C 13 51.494 0.000 . . . . . . . 112 ASP CA . 27742 1 352 . 1 . 1 112 112 ASP CB C 13 38.193 0.000 . . . . . . . 112 ASP CB . 27742 1 353 . 1 . 1 112 112 ASP N N 15 120.874 0.000 . . . . . . . 112 ASP N . 27742 1 354 . 1 . 1 113 113 GLY H H 1 8.170 0.000 . . . . . . . 113 GLY HN . 27742 1 355 . 1 . 1 113 113 GLY CA C 13 42.905 0.059 . . . . . . . 113 GLY CA . 27742 1 356 . 1 . 1 113 113 GLY N N 15 110.828 0.000 . . . . . . . 113 GLY N . 27742 1 357 . 1 . 1 114 114 ARG H H 1 7.777 0.000 . . . . . . . 114 ARG HN . 27742 1 358 . 1 . 1 114 114 ARG CA C 13 53.345 0.000 . . . . . . . 114 ARG CA . 27742 1 359 . 1 . 1 114 114 ARG CB C 13 27.288 0.000 . . . . . . . 114 ARG CB . 27742 1 360 . 1 . 1 114 114 ARG N N 15 121.262 0.000 . . . . . . . 114 ARG N . 27742 1 361 . 1 . 1 115 115 LEU H H 1 8.079 0.000 . . . . . . . 115 LEU HN . 27742 1 362 . 1 . 1 115 115 LEU CA C 13 52.917 0.000 . . . . . . . 115 LEU CA . 27742 1 363 . 1 . 1 115 115 LEU CB C 13 38.888 0.022 . . . . . . . 115 LEU CB . 27742 1 364 . 1 . 1 115 115 LEU N N 15 123.204 0.000 . . . . . . . 115 LEU N . 27742 1 365 . 1 . 1 116 116 GLN H H 1 8.059 0.000 . . . . . . . 116 GLN HN . 27742 1 366 . 1 . 1 116 116 GLN CA C 13 53.762 0.000 . . . . . . . 116 GLN CA . 27742 1 367 . 1 . 1 116 116 GLN CB C 13 27.041 0.000 . . . . . . . 116 GLN CB . 27742 1 368 . 1 . 1 116 116 GLN N N 15 121.797 0.000 . . . . . . . 116 GLN N . 27742 1 369 . 1 . 1 121 121 LYS CA C 13 53.209 0.000 . . . . . . . 121 LYS CA . 27742 1 370 . 1 . 1 121 121 LYS CB C 13 30.385 0.000 . . . . . . . 121 LYS CB . 27742 1 371 . 1 . 1 122 122 GLY H H 1 8.362 0.000 . . . . . . . 122 GLY HN . 27742 1 372 . 1 . 1 122 122 GLY CA C 13 43.917 0.000 . . . . . . . 122 GLY CA . 27742 1 373 . 1 . 1 122 122 GLY N N 15 110.855 0.000 . . . . . . . 122 GLY N . 27742 1 374 . 1 . 1 123 123 LEU H H 1 7.724 0.000 . . . . . . . 123 LEU HN . 27742 1 375 . 1 . 1 123 123 LEU CA C 13 54.973 0.000 . . . . . . . 123 LEU CA . 27742 1 376 . 1 . 1 123 123 LEU CB C 13 38.540 0.000 . . . . . . . 123 LEU CB . 27742 1 377 . 1 . 1 123 123 LEU N N 15 124.817 0.000 . . . . . . . 123 LEU N . 27742 1 378 . 1 . 1 125 125 HIS CA C 13 55.723 0.000 . . . . . . . 125 HIS CA . 27742 1 379 . 1 . 1 125 125 HIS CB C 13 25.215 0.000 . . . . . . . 125 HIS CB . 27742 1 380 . 1 . 1 126 126 VAL H H 1 8.125 0.000 . . . . . . . 126 VAL HN . 27742 1 381 . 1 . 1 126 126 VAL CA C 13 59.547 0.206 . . . . . . . 126 VAL CA . 27742 1 382 . 1 . 1 126 126 VAL CB C 13 29.778 0.115 . . . . . . . 126 VAL CB . 27742 1 383 . 1 . 1 126 126 VAL N N 15 124.071 0.041 . . . . . . . 126 VAL N . 27742 1 384 . 1 . 1 127 127 ILE H H 1 7.941 0.000 . . . . . . . 127 ILE HN . 27742 1 385 . 1 . 1 127 127 ILE CA C 13 58.352 0.343 . . . . . . . 127 ILE CA . 27742 1 386 . 1 . 1 127 127 ILE CB C 13 35.340 0.038 . . . . . . . 127 ILE CB . 27742 1 387 . 1 . 1 127 127 ILE N N 15 126.044 0.000 . . . . . . . 127 ILE N . 27742 1 388 . 1 . 1 128 128 TYR H H 1 7.579 0.000 . . . . . . . 128 TYR HN . 27742 1 389 . 1 . 1 128 128 TYR CA C 13 56.943 0.000 . . . . . . . 128 TYR CA . 27742 1 390 . 1 . 1 128 128 TYR CB C 13 36.445 0.000 . . . . . . . 128 TYR CB . 27742 1 391 . 1 . 1 128 128 TYR N N 15 130.826 0.000 . . . . . . . 128 TYR N . 27742 1 392 . 1 . 1 129 129 CYS CA C 13 59.044 0.000 . . . . . . . 129 CYS CA . 27742 1 393 . 1 . 1 129 129 CYS CB C 13 29.832 0.000 . . . . . . . 129 CYS CB . 27742 1 394 . 1 . 1 130 130 ARG H H 1 8.373 0.000 . . . . . . . 130 ARG HN . 27742 1 395 . 1 . 1 130 130 ARG CA C 13 52.771 0.201 . . . . . . . 130 ARG CA . 27742 1 396 . 1 . 1 130 130 ARG CB C 13 27.531 0.021 . . . . . . . 130 ARG CB . 27742 1 397 . 1 . 1 130 130 ARG N N 15 126.325 0.000 . . . . . . . 130 ARG N . 27742 1 398 . 1 . 1 131 131 LEU H H 1 6.927 0.000 . . . . . . . 131 LEU HN . 27742 1 399 . 1 . 1 131 131 LEU CA C 13 54.778 0.028 . . . . . . . 131 LEU CA . 27742 1 400 . 1 . 1 131 131 LEU CB C 13 40.174 0.080 . . . . . . . 131 LEU CB . 27742 1 401 . 1 . 1 131 131 LEU N N 15 115.328 0.000 . . . . . . . 131 LEU N . 27742 1 402 . 1 . 1 132 132 TRP H H 1 9.032 0.000 . . . . . . . 132 TRP HN . 27742 1 403 . 1 . 1 132 132 TRP CA C 13 51.188 0.189 . . . . . . . 132 TRP CA . 27742 1 404 . 1 . 1 132 132 TRP CB C 13 29.411 0.023 . . . . . . . 132 TRP CB . 27742 1 405 . 1 . 1 132 132 TRP N N 15 119.012 0.000 . . . . . . . 132 TRP N . 27742 1 406 . 1 . 1 133 133 ARG H H 1 9.062 0.000 . . . . . . . 133 ARG HN . 27742 1 407 . 1 . 1 133 133 ARG CA C 13 56.785 0.000 . . . . . . . 133 ARG CA . 27742 1 408 . 1 . 1 133 133 ARG CB C 13 31.843 0.194 . . . . . . . 133 ARG CB . 27742 1 409 . 1 . 1 133 133 ARG N N 15 119.540 0.000 . . . . . . . 133 ARG N . 27742 1 410 . 1 . 1 134 134 TRP H H 1 7.819 0.000 . . . . . . . 134 TRP HN . 27742 1 411 . 1 . 1 134 134 TRP CA C 13 56.571 0.000 . . . . . . . 134 TRP CA . 27742 1 412 . 1 . 1 134 134 TRP CB C 13 27.386 0.000 . . . . . . . 134 TRP CB . 27742 1 413 . 1 . 1 134 134 TRP N N 15 128.482 0.000 . . . . . . . 134 TRP N . 27742 1 414 . 1 . 1 135 135 PRO CA C 13 62.281 0.000 . . . . . . . 135 PRO CA . 27742 1 415 . 1 . 1 135 135 PRO CB C 13 29.109 0.000 . . . . . . . 135 PRO CB . 27742 1 416 . 1 . 1 136 136 ASP H H 1 8.264 0.000 . . . . . . . 136 ASP HN . 27742 1 417 . 1 . 1 136 136 ASP CA C 13 49.642 0.073 . . . . . . . 136 ASP CA . 27742 1 418 . 1 . 1 136 136 ASP CB C 13 37.109 0.050 . . . . . . . 136 ASP CB . 27742 1 419 . 1 . 1 136 136 ASP N N 15 114.493 0.000 . . . . . . . 136 ASP N . 27742 1 420 . 1 . 1 137 137 LEU H H 1 7.358 0.000 . . . . . . . 137 LEU HN . 27742 1 421 . 1 . 1 137 137 LEU CA C 13 53.233 0.185 . . . . . . . 137 LEU CA . 27742 1 422 . 1 . 1 137 137 LEU CB C 13 40.834 0.000 . . . . . . . 137 LEU CB . 27742 1 423 . 1 . 1 137 137 LEU N N 15 122.922 0.000 . . . . . . . 137 LEU N . 27742 1 424 . 1 . 1 138 138 HIS H H 1 9.534 0.001 . . . . . . . 138 HIS HN . 27742 1 425 . 1 . 1 138 138 HIS CA C 13 54.085 0.000 . . . . . . . 138 HIS CA . 27742 1 426 . 1 . 1 138 138 HIS CB C 13 27.954 0.000 . . . . . . . 138 HIS CB . 27742 1 427 . 1 . 1 138 138 HIS N N 15 125.454 0.000 . . . . . . . 138 HIS N . 27742 1 428 . 1 . 1 140 140 HIS CA C 13 54.990 0.000 . . . . . . . 140 HIS CA . 27742 1 429 . 1 . 1 140 140 HIS CB C 13 27.081 0.000 . . . . . . . 140 HIS CB . 27742 1 430 . 1 . 1 141 141 HIS H H 1 7.866 0.000 . . . . . . . 141 HIS HN . 27742 1 431 . 1 . 1 141 141 HIS CA C 13 54.717 0.000 . . . . . . . 141 HIS CA . 27742 1 432 . 1 . 1 141 141 HIS CB C 13 27.584 0.033 . . . . . . . 141 HIS CB . 27742 1 433 . 1 . 1 141 141 HIS N N 15 125.064 0.000 . . . . . . . 141 HIS N . 27742 1 434 . 1 . 1 142 142 GLU H H 1 7.635 0.000 . . . . . . . 142 GLU HN . 27742 1 435 . 1 . 1 142 142 GLU CA C 13 53.711 0.000 . . . . . . . 142 GLU CA . 27742 1 436 . 1 . 1 142 142 GLU CB C 13 29.161 0.000 . . . . . . . 142 GLU CB . 27742 1 437 . 1 . 1 142 142 GLU N N 15 123.766 0.000 . . . . . . . 142 GLU N . 27742 1 438 . 1 . 1 143 143 LEU H H 1 7.110 0.000 . . . . . . . 143 LEU HN . 27742 1 439 . 1 . 1 143 143 LEU CA C 13 50.759 0.000 . . . . . . . 143 LEU CA . 27742 1 440 . 1 . 1 143 143 LEU CB C 13 42.710 0.000 . . . . . . . 143 LEU CB . 27742 1 441 . 1 . 1 143 143 LEU N N 15 117.606 0.000 . . . . . . . 143 LEU N . 27742 1 442 . 1 . 1 144 144 LYS H H 1 8.972 0.000 . . . . . . . 144 LYS HN . 27742 1 443 . 1 . 1 144 144 LYS CA C 13 51.935 0.214 . . . . . . . 144 LYS CA . 27742 1 444 . 1 . 1 144 144 LYS CB C 13 32.819 0.069 . . . . . . . 144 LYS CB . 27742 1 445 . 1 . 1 144 144 LYS N N 15 123.011 0.000 . . . . . . . 144 LYS N . 27742 1 446 . 1 . 1 145 145 ALA H H 1 8.803 0.000 . . . . . . . 145 ALA HN . 27742 1 447 . 1 . 1 145 145 ALA CA C 13 49.215 0.000 . . . . . . . 145 ALA CA . 27742 1 448 . 1 . 1 145 145 ALA CB C 13 18.425 0.000 . . . . . . . 145 ALA CB . 27742 1 449 . 1 . 1 145 145 ALA N N 15 129.610 0.000 . . . . . . . 145 ALA N . 27742 1 450 . 1 . 1 146 146 ILE H H 1 7.668 0.000 . . . . . . . 146 ILE HN . 27742 1 451 . 1 . 1 146 146 ILE CA C 13 58.925 0.000 . . . . . . . 146 ILE CA . 27742 1 452 . 1 . 1 146 146 ILE CB C 13 35.542 0.000 . . . . . . . 146 ILE CB . 27742 1 453 . 1 . 1 146 146 ILE N N 15 116.118 0.000 . . . . . . . 146 ILE N . 27742 1 454 . 1 . 1 147 147 GLU H H 1 8.612 0.000 . . . . . . . 147 GLU HN . 27742 1 455 . 1 . 1 147 147 GLU CA C 13 57.046 0.000 . . . . . . . 147 GLU CA . 27742 1 456 . 1 . 1 147 147 GLU CB C 13 26.307 0.130 . . . . . . . 147 GLU CB . 27742 1 457 . 1 . 1 147 147 GLU N N 15 122.548 0.000 . . . . . . . 147 GLU N . 27742 1 458 . 1 . 1 148 148 ASN H H 1 7.737 0.001 . . . . . . . 148 ASN HN . 27742 1 459 . 1 . 1 148 148 ASN CA C 13 50.245 0.000 . . . . . . . 148 ASN CA . 27742 1 460 . 1 . 1 148 148 ASN CB C 13 34.245 0.000 . . . . . . . 148 ASN CB . 27742 1 461 . 1 . 1 148 148 ASN N N 15 111.022 0.000 . . . . . . . 148 ASN N . 27742 1 462 . 1 . 1 149 149 CYS H H 1 6.893 0.000 . . . . . . . 149 CYS HN . 27742 1 463 . 1 . 1 149 149 CYS CA C 13 58.687 0.000 . . . . . . . 149 CYS CA . 27742 1 464 . 1 . 1 149 149 CYS CB C 13 25.354 0.020 . . . . . . . 149 CYS CB . 27742 1 465 . 1 . 1 149 149 CYS N N 15 124.257 0.000 . . . . . . . 149 CYS N . 27742 1 466 . 1 . 1 150 150 GLU H H 1 6.913 0.000 . . . . . . . 150 GLU HN . 27742 1 467 . 1 . 1 150 150 GLU CA C 13 55.417 0.000 . . . . . . . 150 GLU CA . 27742 1 468 . 1 . 1 150 150 GLU CB C 13 27.808 0.002 . . . . . . . 150 GLU CB . 27742 1 469 . 1 . 1 150 150 GLU N N 15 133.493 0.000 . . . . . . . 150 GLU N . 27742 1 470 . 1 . 1 151 151 TYR H H 1 7.886 0.000 . . . . . . . 151 TYR HN . 27742 1 471 . 1 . 1 151 151 TYR CA C 13 54.825 0.074 . . . . . . . 151 TYR CA . 27742 1 472 . 1 . 1 151 151 TYR CB C 13 36.171 0.000 . . . . . . . 151 TYR CB . 27742 1 473 . 1 . 1 151 151 TYR N N 15 116.734 0.000 . . . . . . . 151 TYR N . 27742 1 474 . 1 . 1 152 152 ALA H H 1 6.805 0.000 . . . . . . . 152 ALA HN . 27742 1 475 . 1 . 1 152 152 ALA CA C 13 50.481 0.125 . . . . . . . 152 ALA CA . 27742 1 476 . 1 . 1 152 152 ALA CB C 13 17.306 1.024 . . . . . . . 152 ALA CB . 27742 1 477 . 1 . 1 152 152 ALA N N 15 129.673 0.000 . . . . . . . 152 ALA N . 27742 1 478 . 1 . 1 153 153 PHE H H 1 7.945 0.000 . . . . . . . 153 PHE HN . 27742 1 479 . 1 . 1 153 153 PHE CA C 13 58.808 0.201 . . . . . . . 153 PHE CA . 27742 1 480 . 1 . 1 153 153 PHE CB C 13 35.399 0.134 . . . . . . . 153 PHE CB . 27742 1 481 . 1 . 1 153 153 PHE N N 15 120.953 0.000 . . . . . . . 153 PHE N . 27742 1 482 . 1 . 1 154 154 ASN H H 1 8.059 0.000 . . . . . . . 154 ASN HN . 27742 1 483 . 1 . 1 154 154 ASN CA C 13 52.840 0.000 . . . . . . . 154 ASN CA . 27742 1 484 . 1 . 1 154 154 ASN CB C 13 38.283 0.000 . . . . . . . 154 ASN CB . 27742 1 485 . 1 . 1 154 154 ASN N N 15 123.766 0.000 . . . . . . . 154 ASN N . 27742 1 486 . 1 . 1 155 155 LEU CA C 13 51.689 0.000 . . . . . . . 155 LEU CA . 27742 1 487 . 1 . 1 155 155 LEU CB C 13 38.405 0.000 . . . . . . . 155 LEU CB . 27742 1 488 . 1 . 1 156 156 LYS H H 1 7.986 0.000 . . . . . . . 156 LYS HN . 27742 1 489 . 1 . 1 156 156 LYS CA C 13 54.949 0.573 . . . . . . . 156 LYS CA . 27742 1 490 . 1 . 1 156 156 LYS CB C 13 26.849 0.038 . . . . . . . 156 LYS CB . 27742 1 491 . 1 . 1 156 156 LYS N N 15 121.169 0.000 . . . . . . . 156 LYS N . 27742 1 492 . 1 . 1 157 157 LYS H H 1 7.385 0.000 . . . . . . . 157 LYS HN . 27742 1 493 . 1 . 1 157 157 LYS CA C 13 54.851 0.000 . . . . . . . 157 LYS CA . 27742 1 494 . 1 . 1 157 157 LYS CB C 13 25.966 0.000 . . . . . . . 157 LYS CB . 27742 1 495 . 1 . 1 157 157 LYS N N 15 120.188 0.000 . . . . . . . 157 LYS N . 27742 1 496 . 1 . 1 161 161 CYS CA C 13 57.046 0.000 . . . . . . . 161 CYS CA . 27742 1 497 . 1 . 1 161 161 CYS CB C 13 27.732 0.000 . . . . . . . 161 CYS CB . 27742 1 498 . 1 . 1 162 162 VAL H H 1 9.155 0.000 . . . . . . . 162 VAL HN . 27742 1 499 . 1 . 1 162 162 VAL CA C 13 57.342 0.000 . . . . . . . 162 VAL CA . 27742 1 500 . 1 . 1 162 162 VAL CB C 13 28.472 0.222 . . . . . . . 162 VAL CB . 27742 1 501 . 1 . 1 162 162 VAL N N 15 122.641 0.000 . . . . . . . 162 VAL N . 27742 1 502 . 1 . 1 163 163 ASN H H 1 8.299 0.000 . . . . . . . 163 ASN HN . 27742 1 503 . 1 . 1 163 163 ASN CA C 13 55.639 0.000 . . . . . . . 163 ASN CA . 27742 1 504 . 1 . 1 163 163 ASN CB C 13 38.540 0.000 . . . . . . . 163 ASN CB . 27742 1 505 . 1 . 1 163 163 ASN N N 15 118.984 0.000 . . . . . . . 163 ASN N . 27742 1 506 . 1 . 1 166 166 HIS CA C 13 54.825 0.000 . . . . . . . 166 HIS CA . 27742 1 507 . 1 . 1 166 166 HIS CB C 13 26.696 0.000 . . . . . . . 166 HIS CB . 27742 1 508 . 1 . 1 167 167 TYR H H 1 7.919 0.000 . . . . . . . 167 TYR HN . 27742 1 509 . 1 . 1 167 167 TYR CA C 13 51.568 0.000 . . . . . . . 167 TYR CA . 27742 1 510 . 1 . 1 167 167 TYR CB C 13 38.466 0.074 . . . . . . . 167 TYR CB . 27742 1 511 . 1 . 1 167 167 TYR N N 15 122.078 0.000 . . . . . . . 167 TYR N . 27742 1 512 . 1 . 1 168 168 GLN H H 1 7.914 0.000 . . . . . . . 168 GLN HN . 27742 1 513 . 1 . 1 168 168 GLN CA C 13 53.419 0.148 . . . . . . . 168 GLN CA . 27742 1 514 . 1 . 1 168 168 GLN CB C 13 26.823 0.000 . . . . . . . 168 GLN CB . 27742 1 515 . 1 . 1 168 168 GLN N N 15 120.953 0.000 . . . . . . . 168 GLN N . 27742 1 516 . 1 . 1 169 169 ARG H H 1 8.247 0.000 . . . . . . . 169 ARG HN . 27742 1 517 . 1 . 1 169 169 ARG CA C 13 52.399 0.091 . . . . . . . 169 ARG CA . 27742 1 518 . 1 . 1 169 169 ARG CB C 13 27.369 0.000 . . . . . . . 169 ARG CB . 27742 1 519 . 1 . 1 169 169 ARG N N 15 122.256 0.000 . . . . . . . 169 ARG N . 27742 1 520 . 1 . 1 170 170 VAL H H 1 8.336 0.000 . . . . . . . 170 VAL HN . 27742 1 521 . 1 . 1 170 170 VAL CA C 13 58.288 0.000 . . . . . . . 170 VAL CA . 27742 1 522 . 1 . 1 170 170 VAL CB C 13 30.392 0.000 . . . . . . . 170 VAL CB . 27742 1 523 . 1 . 1 170 170 VAL N N 15 126.017 0.000 . . . . . . . 170 VAL N . 27742 1 524 . 1 . 1 171 171 GLU CA C 13 53.220 0.000 . . . . . . . 171 GLU CA . 27742 1 525 . 1 . 1 171 171 GLU CB C 13 27.231 0.000 . . . . . . . 171 GLU CB . 27742 1 526 . 1 . 1 172 172 THR H H 1 8.046 0.000 . . . . . . . 172 THR HN . 27742 1 527 . 1 . 1 172 172 THR CA C 13 56.999 0.000 . . . . . . . 172 THR CA . 27742 1 528 . 1 . 1 172 172 THR CB C 13 66.856 0.000 . . . . . . . 172 THR CB . 27742 1 529 . 1 . 1 172 172 THR N N 15 119.012 0.000 . . . . . . . 172 THR N . 27742 1 530 . 1 . 1 174 174 VAL H H 1 7.598 0.000 . . . . . . . 174 SER HN . 27742 1 531 . 1 . 1 174 174 VAL CA C 13 60.967 0.000 . . . . . . . 174 SER CA . 27742 1 532 . 1 . 1 174 174 VAL N N 15 125.329 0.000 . . . . . . . 174 SER N . 27742 1 stop_ save_