data_27743 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27743 _Entry.Title ; hSmad2-beta 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 'human Smad2-beta MH1 domain, residues 10-150' _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. . . 27743 2 Pau Martin . . . . 27743 3 Eric Aragon . . . . 27743 4 Lidia Ruiz . . . . 27743 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 27743 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27743 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 250 27743 '15N chemical shifts' 120 27743 '1H chemical shifts' 120 27743 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' 27743 1 . . 2019-09-23 2018-12-24 original author 'original release' 27743 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27742 'hSmad2 MH1 domain' 27743 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27743 _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 . . . . 27743 1 2 Qiong Wang . . . . 27743 1 3 Yilong Zou . . . . 27743 1 4 Sophie Morgani . M. . . 27743 1 5 Lidia Ruiz . . . . 27743 1 6 Zuzanna Kaczmarska . . . . 27743 1 7 Jie Su . . . . 27743 1 8 Carles Torner . . . . 27743 1 9 Lin Tian . . . . 27743 1 10 Jing Hu . . . . 27743 1 11 Weiping Shu . . . . 27743 1 12 Saloni Agrawal . . . . 27743 1 13 Tiago Gomes . . . . 27743 1 14 Jose Marquez . A. . . 27743 1 15 Anna-Katerina Hadjantonakis . . . . 27743 1 16 Maria Macias . J. . . 27743 1 17 Joan Massague . . . . 27743 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27743 _Assembly.ID 1 _Assembly.Name 'hSmad2-beta 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 . . . 27743 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_smad2 _Entity.Sf_category entity _Entity.Sf_framecode smad2 _Entity.Entry_ID 27743 _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 LEKAITTQNCNTKCVTIPRS LDGRLQVSHRKGLPHVIYCR LWRWPDLHSHHELKAIENCE YAFNLKKDEVCVNPYHYQRV ETPVLPPSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; This is an isoform lacking a 30aa exon. Sequence numbering is done as in the reference isoform. This is why the assignment skips residues 79 to 108. ; _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 149 _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 Q15796-2 . . . . . . . . . . . . . . . . 27743 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 . 27743 1 2 2 SER . 27743 1 3 3 SER . 27743 1 4 4 ILE . 27743 1 5 5 LEU . 27743 1 6 6 PRO . 27743 1 7 7 PHE . 27743 1 8 8 THR . 27743 1 9 9 PRO . 27743 1 10 10 PRO . 27743 1 11 11 VAL . 27743 1 12 12 VAL . 27743 1 13 13 LYS . 27743 1 14 14 ARG . 27743 1 15 15 LEU . 27743 1 16 16 LEU . 27743 1 17 17 GLY . 27743 1 18 18 TRP . 27743 1 19 19 LYS . 27743 1 20 20 LYS . 27743 1 21 21 SER . 27743 1 22 22 ALA . 27743 1 23 23 GLY . 27743 1 24 24 GLY . 27743 1 25 25 SER . 27743 1 26 26 GLY . 27743 1 27 27 GLY . 27743 1 28 28 ALA . 27743 1 29 29 GLY . 27743 1 30 30 GLY . 27743 1 31 31 GLY . 27743 1 32 32 GLU . 27743 1 33 33 GLN . 27743 1 34 34 ASN . 27743 1 35 35 GLY . 27743 1 36 36 GLN . 27743 1 37 37 GLU . 27743 1 38 38 GLU . 27743 1 39 39 LYS . 27743 1 40 40 TRP . 27743 1 41 41 CYS . 27743 1 42 42 GLU . 27743 1 43 43 LYS . 27743 1 44 44 ALA . 27743 1 45 45 VAL . 27743 1 46 46 LYS . 27743 1 47 47 SER . 27743 1 48 48 LEU . 27743 1 49 49 VAL . 27743 1 50 50 LYS . 27743 1 51 51 LYS . 27743 1 52 52 LEU . 27743 1 53 53 LYS . 27743 1 54 54 LYS . 27743 1 55 55 THR . 27743 1 56 56 GLY . 27743 1 57 57 ARG . 27743 1 58 58 LEU . 27743 1 59 59 ASP . 27743 1 60 60 GLU . 27743 1 61 61 LEU . 27743 1 62 62 GLU . 27743 1 63 63 LYS . 27743 1 64 64 ALA . 27743 1 65 65 ILE . 27743 1 66 66 THR . 27743 1 67 67 THR . 27743 1 68 68 GLN . 27743 1 69 69 ASN . 27743 1 70 70 CYS . 27743 1 71 71 ASN . 27743 1 72 72 THR . 27743 1 73 73 LYS . 27743 1 74 74 CYS . 27743 1 75 75 VAL . 27743 1 76 76 THR . 27743 1 77 77 ILE . 27743 1 78 78 PRO . 27743 1 79 109 ARG . 27743 1 80 110 SER . 27743 1 81 111 LEU . 27743 1 82 112 ASP . 27743 1 83 113 GLY . 27743 1 84 114 ARG . 27743 1 85 115 LEU . 27743 1 86 116 GLN . 27743 1 87 117 VAL . 27743 1 88 118 SER . 27743 1 89 119 HIS . 27743 1 90 120 ARG . 27743 1 91 121 LYS . 27743 1 92 122 GLY . 27743 1 93 123 LEU . 27743 1 94 124 PRO . 27743 1 95 125 HIS . 27743 1 96 126 VAL . 27743 1 97 127 ILE . 27743 1 98 128 TYR . 27743 1 99 129 CYS . 27743 1 100 130 ARG . 27743 1 101 131 LEU . 27743 1 102 132 TRP . 27743 1 103 133 ARG . 27743 1 104 134 TRP . 27743 1 105 135 PRO . 27743 1 106 136 ASP . 27743 1 107 137 LEU . 27743 1 108 138 HIS . 27743 1 109 139 SER . 27743 1 110 140 HIS . 27743 1 111 141 HIS . 27743 1 112 142 GLU . 27743 1 113 143 LEU . 27743 1 114 144 LYS . 27743 1 115 145 ALA . 27743 1 116 146 ILE . 27743 1 117 147 GLU . 27743 1 118 148 ASN . 27743 1 119 149 CYS . 27743 1 120 150 GLU . 27743 1 121 151 TYR . 27743 1 122 152 ALA . 27743 1 123 153 PHE . 27743 1 124 154 ASN . 27743 1 125 155 LEU . 27743 1 126 156 LYS . 27743 1 127 157 LYS . 27743 1 128 158 ASP . 27743 1 129 159 GLU . 27743 1 130 160 VAL . 27743 1 131 161 CYS . 27743 1 132 162 VAL . 27743 1 133 163 ASN . 27743 1 134 164 PRO . 27743 1 135 165 TYR . 27743 1 136 166 HIS . 27743 1 137 167 TYR . 27743 1 138 168 GLN . 27743 1 139 169 ARG . 27743 1 140 170 VAL . 27743 1 141 171 GLU . 27743 1 142 172 THR . 27743 1 143 173 PRO . 27743 1 144 174 VAL . 27743 1 145 175 LEU . 27743 1 146 176 PRO . 27743 1 147 177 PRO . 27743 1 148 178 SER . 27743 1 149 179 SER . 27743 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 27743 1 . SER 2 2 27743 1 . SER 3 3 27743 1 . ILE 4 4 27743 1 . LEU 5 5 27743 1 . PRO 6 6 27743 1 . PHE 7 7 27743 1 . THR 8 8 27743 1 . PRO 9 9 27743 1 . PRO 10 10 27743 1 . VAL 11 11 27743 1 . VAL 12 12 27743 1 . LYS 13 13 27743 1 . ARG 14 14 27743 1 . LEU 15 15 27743 1 . LEU 16 16 27743 1 . GLY 17 17 27743 1 . TRP 18 18 27743 1 . LYS 19 19 27743 1 . LYS 20 20 27743 1 . SER 21 21 27743 1 . ALA 22 22 27743 1 . GLY 23 23 27743 1 . GLY 24 24 27743 1 . SER 25 25 27743 1 . GLY 26 26 27743 1 . GLY 27 27 27743 1 . ALA 28 28 27743 1 . GLY 29 29 27743 1 . GLY 30 30 27743 1 . GLY 31 31 27743 1 . GLU 32 32 27743 1 . GLN 33 33 27743 1 . ASN 34 34 27743 1 . GLY 35 35 27743 1 . GLN 36 36 27743 1 . GLU 37 37 27743 1 . GLU 38 38 27743 1 . LYS 39 39 27743 1 . TRP 40 40 27743 1 . CYS 41 41 27743 1 . GLU 42 42 27743 1 . LYS 43 43 27743 1 . ALA 44 44 27743 1 . VAL 45 45 27743 1 . LYS 46 46 27743 1 . SER 47 47 27743 1 . LEU 48 48 27743 1 . VAL 49 49 27743 1 . LYS 50 50 27743 1 . LYS 51 51 27743 1 . LEU 52 52 27743 1 . LYS 53 53 27743 1 . LYS 54 54 27743 1 . THR 55 55 27743 1 . GLY 56 56 27743 1 . ARG 57 57 27743 1 . LEU 58 58 27743 1 . ASP 59 59 27743 1 . GLU 60 60 27743 1 . LEU 61 61 27743 1 . GLU 62 62 27743 1 . LYS 63 63 27743 1 . ALA 64 64 27743 1 . ILE 65 65 27743 1 . THR 66 66 27743 1 . THR 67 67 27743 1 . GLN 68 68 27743 1 . ASN 69 69 27743 1 . CYS 70 70 27743 1 . ASN 71 71 27743 1 . THR 72 72 27743 1 . LYS 73 73 27743 1 . CYS 74 74 27743 1 . VAL 75 75 27743 1 . THR 76 76 27743 1 . ILE 77 77 27743 1 . PRO 78 78 27743 1 . ARG 79 79 27743 1 . SER 80 80 27743 1 . LEU 81 81 27743 1 . ASP 82 82 27743 1 . GLY 83 83 27743 1 . ARG 84 84 27743 1 . LEU 85 85 27743 1 . GLN 86 86 27743 1 . VAL 87 87 27743 1 . SER 88 88 27743 1 . HIS 89 89 27743 1 . ARG 90 90 27743 1 . LYS 91 91 27743 1 . GLY 92 92 27743 1 . LEU 93 93 27743 1 . PRO 94 94 27743 1 . HIS 95 95 27743 1 . VAL 96 96 27743 1 . ILE 97 97 27743 1 . TYR 98 98 27743 1 . CYS 99 99 27743 1 . ARG 100 100 27743 1 . LEU 101 101 27743 1 . TRP 102 102 27743 1 . ARG 103 103 27743 1 . TRP 104 104 27743 1 . PRO 105 105 27743 1 . ASP 106 106 27743 1 . LEU 107 107 27743 1 . HIS 108 108 27743 1 . SER 109 109 27743 1 . HIS 110 110 27743 1 . HIS 111 111 27743 1 . GLU 112 112 27743 1 . LEU 113 113 27743 1 . LYS 114 114 27743 1 . ALA 115 115 27743 1 . ILE 116 116 27743 1 . GLU 117 117 27743 1 . ASN 118 118 27743 1 . CYS 119 119 27743 1 . GLU 120 120 27743 1 . TYR 121 121 27743 1 . ALA 122 122 27743 1 . PHE 123 123 27743 1 . ASN 124 124 27743 1 . LEU 125 125 27743 1 . LYS 126 126 27743 1 . LYS 127 127 27743 1 . ASP 128 128 27743 1 . GLU 129 129 27743 1 . VAL 130 130 27743 1 . CYS 131 131 27743 1 . VAL 132 132 27743 1 . ASN 133 133 27743 1 . PRO 134 134 27743 1 . TYR 135 135 27743 1 . HIS 136 136 27743 1 . TYR 137 137 27743 1 . GLN 138 138 27743 1 . ARG 139 139 27743 1 . VAL 140 140 27743 1 . GLU 141 141 27743 1 . THR 142 142 27743 1 . PRO 143 143 27743 1 . VAL 144 144 27743 1 . LEU 145 145 27743 1 . PRO 146 146 27743 1 . PRO 147 147 27743 1 . SER 148 148 27743 1 . SER 149 149 27743 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 27743 _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 . . . . . . . . . . . . . 27743 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 27743 _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 . . . 27743 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27743 _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 . . . . 27743 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 27743 1 3 'sodium chloride' 'natural abundance' . . . . . . 80 . . mM . . . . 27743 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 27743 _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 27743 1 pressure 1 . atm 27743 1 temperature 298K . K 27743 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27743 _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' . . 27743 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27743 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27743 _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' . . 27743 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27743 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 27743 _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.' . . 27743 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27743 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 27743 _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 27743 _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 . . . 27743 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 27743 _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 . . . . . . . . . . . . . . . . 27743 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27743 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27743 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 27743 _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 . . . . . 27743 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27743 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27743 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 27743 _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' . . . 27743 1 2 '3D CBCA(CO)NH' . . . 27743 1 3 '3D HNCACB' . . . 27743 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 3 $XEASY . . 27743 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 63.509 0.000 . . . . . . . 10 PRO CA . 27743 1 2 . 1 . 1 10 10 PRO CB C 13 28.781 0.000 . . . . . . . 10 PRO CB . 27743 1 3 . 1 . 1 11 11 VAL H H 1 7.877 0.000 . . . . . . . 11 VAL HN . 27743 1 4 . 1 . 1 11 11 VAL CA C 13 62.572 0.000 . . . . . . . 11 VAL CA . 27743 1 5 . 1 . 1 11 11 VAL CB C 13 28.014 0.000 . . . . . . . 11 VAL CB . 27743 1 6 . 1 . 1 11 11 VAL N N 15 118.466 0.000 . . . . . . . 11 VAL N . 27743 1 7 . 1 . 1 12 12 VAL H H 1 7.157 0.000 . . . . . . . 12 VAL HN . 27743 1 8 . 1 . 1 12 12 VAL CA C 13 63.838 0.031 . . . . . . . 12 VAL CA . 27743 1 9 . 1 . 1 12 12 VAL CB C 13 29.395 0.000 . . . . . . . 12 VAL CB . 27743 1 10 . 1 . 1 12 12 VAL N N 15 122.623 0.000 . . . . . . . 12 VAL N . 27743 1 11 . 1 . 1 13 13 LYS H H 1 9.335 0.000 . . . . . . . 13 LYS HN . 27743 1 12 . 1 . 1 13 13 LYS CA C 13 57.098 0.200 . . . . . . . 13 LYS CA . 27743 1 13 . 1 . 1 13 13 LYS CB C 13 26.025 0.000 . . . . . . . 13 LYS CB . 27743 1 14 . 1 . 1 13 13 LYS N N 15 116.834 0.000 . . . . . . . 13 LYS N . 27743 1 15 . 1 . 1 14 14 ARG H H 1 7.586 0.000 . . . . . . . 14 ARG HN . 27743 1 16 . 1 . 1 14 14 ARG CA C 13 57.080 0.004 . . . . . . . 14 ARG CA . 27743 1 17 . 1 . 1 14 14 ARG CB C 13 29.226 0.000 . . . . . . . 14 ARG CB . 27743 1 18 . 1 . 1 14 14 ARG N N 15 119.802 0.000 . . . . . . . 14 ARG N . 27743 1 19 . 1 . 1 15 15 LEU H H 1 8.140 0.000 . . . . . . . 15 LEU HN . 27743 1 20 . 1 . 1 15 15 LEU CA C 13 53.060 0.107 . . . . . . . 15 LEU CA . 27743 1 21 . 1 . 1 15 15 LEU CB C 13 38.634 0.000 . . . . . . . 15 LEU CB . 27743 1 22 . 1 . 1 15 15 LEU N N 15 117.873 0.000 . . . . . . . 15 LEU N . 27743 1 23 . 1 . 1 16 16 LEU H H 1 8.186 0.001 . . . . . . . 16 LEU HN . 27743 1 24 . 1 . 1 16 16 LEU CA C 13 55.304 0.000 . . . . . . . 16 LEU CA . 27743 1 25 . 1 . 1 16 16 LEU CB C 13 38.427 0.000 . . . . . . . 16 LEU CB . 27743 1 26 . 1 . 1 16 16 LEU N N 15 122.177 0.000 . . . . . . . 16 LEU N . 27743 1 27 . 1 . 1 17 17 GLY H H 1 7.748 0.000 . . . . . . . 17 GLY HN . 27743 1 28 . 1 . 1 17 17 GLY CA C 13 43.831 0.003 . . . . . . . 17 GLY CA . 27743 1 29 . 1 . 1 17 17 GLY N N 15 108.669 0.000 . . . . . . . 17 GLY N . 27743 1 30 . 1 . 1 18 18 TRP H H 1 7.075 0.000 . . . . . . . 18 TRP HN . 27743 1 31 . 1 . 1 18 18 TRP CA C 13 55.446 0.071 . . . . . . . 18 TRP CA . 27743 1 32 . 1 . 1 18 18 TRP CB C 13 27.413 0.035 . . . . . . . 18 TRP CB . 27743 1 33 . 1 . 1 18 18 TRP N N 15 118.763 0.000 . . . . . . . 18 TRP N . 27743 1 34 . 1 . 1 19 19 LYS H H 1 7.661 0.000 . . . . . . . 19 LYS HN . 27743 1 35 . 1 . 1 19 19 LYS CA C 13 54.957 0.081 . . . . . . . 19 LYS CA . 27743 1 36 . 1 . 1 19 19 LYS CB C 13 29.302 0.000 . . . . . . . 19 LYS CB . 27743 1 37 . 1 . 1 19 19 LYS N N 15 123.662 0.000 . . . . . . . 19 LYS N . 27743 1 38 . 1 . 1 20 20 LYS H H 1 8.337 0.000 . . . . . . . 20 LYS HN . 27743 1 39 . 1 . 1 20 20 LYS CA C 13 51.457 0.000 . . . . . . . 20 LYS CA . 27743 1 40 . 1 . 1 20 20 LYS CB C 13 29.929 0.015 . . . . . . . 20 LYS CB . 27743 1 41 . 1 . 1 20 20 LYS N N 15 124.849 0.000 . . . . . . . 20 LYS N . 27743 1 42 . 1 . 1 21 21 SER H H 1 8.464 0.000 . . . . . . . 21 SER HN . 27743 1 43 . 1 . 1 21 21 SER CA C 13 55.051 0.000 . . . . . . . 21 SER CA . 27743 1 44 . 1 . 1 21 21 SER CB C 13 61.862 0.034 . . . . . . . 21 SER CB . 27743 1 45 . 1 . 1 21 21 SER N N 15 118.615 0.000 . . . . . . . 21 SER N . 27743 1 46 . 1 . 1 22 22 ALA H H 1 8.665 0.000 . . . . . . . 22 ALA HN . 27743 1 47 . 1 . 1 22 22 ALA CA C 13 50.098 0.000 . . . . . . . 22 ALA CA . 27743 1 48 . 1 . 1 22 22 ALA CB C 13 16.298 0.000 . . . . . . . 22 ALA CB . 27743 1 49 . 1 . 1 22 22 ALA N N 15 127.818 0.000 . . . . . . . 22 ALA N . 27743 1 50 . 1 . 1 23 23 GLY H H 1 8.160 0.000 . . . . . . . 23 GLY HN . 27743 1 51 . 1 . 1 23 23 GLY CA C 13 42.688 0.000 . . . . . . . 23 GLY CA . 27743 1 52 . 1 . 1 23 23 GLY N N 15 109.172 0.000 . . . . . . . 23 GLY N . 27743 1 53 . 1 . 1 24 24 GLY H H 1 8.120 0.000 . . . . . . . 24 GLY HN . 27743 1 54 . 1 . 1 24 24 GLY CA C 13 42.751 0.001 . . . . . . . 24 GLY CA . 27743 1 55 . 1 . 1 24 24 GLY N N 15 109.454 0.000 . . . . . . . 24 GLY N . 27743 1 56 . 1 . 1 25 25 SER H H 1 8.228 0.000 . . . . . . . 25 SER HN . 27743 1 57 . 1 . 1 25 25 SER CA C 13 56.078 0.000 . . . . . . . 25 SER CA . 27743 1 58 . 1 . 1 25 25 SER CB C 13 61.417 0.000 . . . . . . . 25 SER CB . 27743 1 59 . 1 . 1 25 25 SER N N 15 116.834 0.000 . . . . . . . 25 SER N . 27743 1 60 . 1 . 1 26 26 GLY H H 1 8.380 0.000 . . . . . . . 26 GLY HN . 27743 1 61 . 1 . 1 26 26 GLY CA C 13 42.194 0.186 . . . . . . . 26 GLY CA . 27743 1 62 . 1 . 1 26 26 GLY N N 15 111.787 0.000 . . . . . . . 26 GLY N . 27743 1 63 . 1 . 1 27 27 GLY H H 1 8.094 0.000 . . . . . . . 27 GLY HN . 27743 1 64 . 1 . 1 27 27 GLY CA C 13 42.456 0.000 . . . . . . . 27 GLY CA . 27743 1 65 . 1 . 1 27 27 GLY N N 15 109.412 0.000 . . . . . . . 27 GLY N . 27743 1 66 . 1 . 1 28 28 ALA H H 1 8.115 0.000 . . . . . . . 28 ALA HN . 27743 1 67 . 1 . 1 28 28 ALA CA C 13 49.481 0.000 . . . . . . . 28 ALA CA . 27743 1 68 . 1 . 1 28 28 ALA CB C 13 16.101 0.000 . . . . . . . 28 ALA CB . 27743 1 69 . 1 . 1 28 28 ALA N N 15 124.701 0.000 . . . . . . . 28 ALA N . 27743 1 70 . 1 . 1 29 29 GLY H H 1 8.275 0.000 . . . . . . . 29 GLY HN . 27743 1 71 . 1 . 1 29 29 GLY CA C 13 42.256 0.000 . . . . . . . 29 GLY CA . 27743 1 72 . 1 . 1 29 29 GLY N N 15 108.521 0.000 . . . . . . . 29 GLY N . 27743 1 73 . 1 . 1 30 30 GLY H H 1 8.133 0.000 . . . . . . . 30 GLY HN . 27743 1 74 . 1 . 1 30 30 GLY CA C 13 43.012 0.000 . . . . . . . 30 GLY CA . 27743 1 75 . 1 . 1 30 30 GLY N N 15 109.412 0.000 . . . . . . . 30 GLY N . 27743 1 76 . 1 . 1 31 31 GLY H H 1 8.065 0.000 . . . . . . . 31 GLY HN . 27743 1 77 . 1 . 1 31 31 GLY CA C 13 42.623 0.000 . . . . . . . 31 GLY CA . 27743 1 78 . 1 . 1 31 31 GLY N N 15 109.560 0.000 . . . . . . . 31 GLY N . 27743 1 79 . 1 . 1 32 32 GLU H H 1 8.269 0.000 . . . . . . . 32 GLU HN . 27743 1 80 . 1 . 1 32 32 GLU CA C 13 54.359 0.000 . . . . . . . 32 GLU CA . 27743 1 81 . 1 . 1 32 32 GLU CB C 13 26.867 0.065 . . . . . . . 32 GLU CB . 27743 1 82 . 1 . 1 32 32 GLU N N 15 121.584 0.000 . . . . . . . 32 GLU N . 27743 1 83 . 1 . 1 33 33 GLN H H 1 8.316 0.000 . . . . . . . 33 GLN HN . 27743 1 84 . 1 . 1 33 33 GLN CA C 13 53.192 0.000 . . . . . . . 33 GLN CA . 27743 1 85 . 1 . 1 33 33 GLN CB C 13 25.926 0.033 . . . . . . . 33 GLN CB . 27743 1 86 . 1 . 1 33 33 GLN N N 15 121.287 0.000 . . . . . . . 33 GLN N . 27743 1 87 . 1 . 1 34 34 ASN H H 1 8.313 0.000 . . . . . . . 34 ASN HN . 27743 1 88 . 1 . 1 34 34 ASN CA C 13 51.227 0.045 . . . . . . . 34 ASN CA . 27743 1 89 . 1 . 1 34 34 ASN CB C 13 35.925 0.000 . . . . . . . 34 ASN CB . 27743 1 90 . 1 . 1 34 34 ASN N N 15 120.396 0.000 . . . . . . . 34 ASN N . 27743 1 91 . 1 . 1 35 35 GLY H H 1 8.316 0.000 . . . . . . . 35 GLY HN . 27743 1 92 . 1 . 1 35 35 GLY CA C 13 43.384 0.017 . . . . . . . 35 GLY CA . 27743 1 93 . 1 . 1 35 35 GLY N N 15 110.451 0.000 . . . . . . . 35 GLY N . 27743 1 94 . 1 . 1 36 36 GLN H H 1 8.085 0.000 . . . . . . . 36 GLN HN . 27743 1 95 . 1 . 1 36 36 GLN CA C 13 54.915 0.000 . . . . . . . 36 GLN CA . 27743 1 96 . 1 . 1 36 36 GLN CB C 13 25.505 0.130 . . . . . . . 36 GLN CB . 27743 1 97 . 1 . 1 36 36 GLN N N 15 120.693 0.000 . . . . . . . 36 GLN N . 27743 1 98 . 1 . 1 37 37 GLU H H 1 8.402 0.000 . . . . . . . 37 GLU HN . 27743 1 99 . 1 . 1 37 37 GLU CA C 13 54.306 0.000 . . . . . . . 37 GLU CA . 27743 1 100 . 1 . 1 37 37 GLU CB C 13 26.734 0.068 . . . . . . . 37 GLU CB . 27743 1 101 . 1 . 1 37 37 GLU N N 15 122.326 0.000 . . . . . . . 37 GLU N . 27743 1 102 . 1 . 1 38 38 GLU H H 1 8.255 0.000 . . . . . . . 38 GLU HN . 27743 1 103 . 1 . 1 38 38 GLU CA C 13 55.079 0.000 . . . . . . . 38 GLU CA . 27743 1 104 . 1 . 1 38 38 GLU CB C 13 27.128 0.250 . . . . . . . 38 GLU CB . 27743 1 105 . 1 . 1 38 38 GLU N N 15 122.920 0.000 . . . . . . . 38 GLU N . 27743 1 106 . 1 . 1 39 39 LYS H H 1 8.329 0.000 . . . . . . . 39 LYS HN . 27743 1 107 . 1 . 1 39 39 LYS CA C 13 54.787 0.000 . . . . . . . 39 LYS CA . 27743 1 108 . 1 . 1 39 39 LYS CB C 13 26.206 0.000 . . . . . . . 39 LYS CB . 27743 1 109 . 1 . 1 39 39 LYS N N 15 121.584 0.000 . . . . . . . 39 LYS N . 27743 1 110 . 1 . 1 40 40 TRP H H 1 7.763 0.000 . . . . . . . 40 TRP HN . 27743 1 111 . 1 . 1 40 40 TRP CA C 13 52.764 0.000 . . . . . . . 40 TRP CA . 27743 1 112 . 1 . 1 40 40 TRP CB C 13 29.565 0.163 . . . . . . . 40 TRP CB . 27743 1 113 . 1 . 1 40 40 TRP N N 15 118.454 0.000 . . . . . . . 40 TRP N . 27743 1 114 . 1 . 1 41 41 CYS H H 1 8.086 0.000 . . . . . . . 41 CYS HN . 27743 1 115 . 1 . 1 41 41 CYS CA C 13 55.664 0.000 . . . . . . . 41 CYS CA . 27743 1 116 . 1 . 1 41 41 CYS CB C 13 61.292 0.000 . . . . . . . 41 CYS CB . 27743 1 117 . 1 . 1 41 41 CYS N N 15 117.131 0.000 . . . . . . . 41 CYS N . 27743 1 118 . 1 . 1 42 42 GLU H H 1 8.139 0.000 . . . . . . . 42 GLU HN . 27743 1 119 . 1 . 1 42 42 GLU CA C 13 53.471 0.000 . . . . . . . 42 GLU CA . 27743 1 120 . 1 . 1 42 42 GLU CB C 13 26.425 0.073 . . . . . . . 42 GLU CB . 27743 1 121 . 1 . 1 42 42 GLU N N 15 122.641 0.000 . . . . . . . 42 GLU N . 27743 1 122 . 1 . 1 43 43 LYS H H 1 7.953 0.000 . . . . . . . 43 LYS HN . 27743 1 123 . 1 . 1 43 43 LYS CA C 13 59.684 0.000 . . . . . . . 43 LYS CA . 27743 1 124 . 1 . 1 43 43 LYS CB C 13 29.349 0.000 . . . . . . . 43 LYS CB . 27743 1 125 . 1 . 1 43 43 LYS N N 15 122.078 0.000 . . . . . . . 43 LYS N . 27743 1 126 . 1 . 1 44 44 ALA H H 1 8.049 0.000 . . . . . . . 44 ALA HN . 27743 1 127 . 1 . 1 44 44 ALA CA C 13 52.617 0.203 . . . . . . . 44 ALA CA . 27743 1 128 . 1 . 1 44 44 ALA CB C 13 13.366 0.000 . . . . . . . 44 ALA CB . 27743 1 129 . 1 . 1 44 44 ALA N N 15 122.474 0.000 . . . . . . . 44 ALA N . 27743 1 130 . 1 . 1 45 45 VAL H H 1 8.213 0.000 . . . . . . . 45 VAL HN . 27743 1 131 . 1 . 1 45 45 VAL CA C 13 65.093 0.000 . . . . . . . 45 VAL CA . 27743 1 132 . 1 . 1 45 45 VAL CB C 13 28.353 0.145 . . . . . . . 45 VAL CB . 27743 1 133 . 1 . 1 45 45 VAL N N 15 123.662 0.000 . . . . . . . 45 VAL N . 27743 1 134 . 1 . 1 46 46 LYS H H 1 8.608 0.000 . . . . . . . 46 LYS HN . 27743 1 135 . 1 . 1 46 46 LYS CA C 13 58.069 0.108 . . . . . . . 46 LYS CA . 27743 1 136 . 1 . 1 46 46 LYS CB C 13 29.756 0.108 . . . . . . . 46 LYS CB . 27743 1 137 . 1 . 1 46 46 LYS N N 15 121.287 0.000 . . . . . . . 46 LYS N . 27743 1 138 . 1 . 1 47 47 SER H H 1 7.847 0.000 . . . . . . . 47 SER HN . 27743 1 139 . 1 . 1 47 47 SER CA C 13 58.311 0.062 . . . . . . . 47 SER CA . 27743 1 140 . 1 . 1 47 47 SER CB C 13 60.839 0.038 . . . . . . . 47 SER CB . 27743 1 141 . 1 . 1 47 47 SER N N 15 112.677 0.000 . . . . . . . 47 SER N . 27743 1 142 . 1 . 1 48 48 LEU H H 1 7.084 0.000 . . . . . . . 48 LEU HN . 27743 1 143 . 1 . 1 48 48 LEU CA C 13 55.079 0.072 . . . . . . . 48 LEU CA . 27743 1 144 . 1 . 1 48 48 LEU CB C 13 38.473 0.036 . . . . . . . 48 LEU CB . 27743 1 145 . 1 . 1 48 48 LEU N N 15 121.732 0.000 . . . . . . . 48 LEU N . 27743 1 146 . 1 . 1 49 49 VAL H H 1 8.410 0.001 . . . . . . . 49 VAL HN . 27743 1 147 . 1 . 1 49 49 VAL CA C 13 64.301 0.000 . . . . . . . 49 VAL CA . 27743 1 148 . 1 . 1 49 49 VAL CB C 13 28.495 0.000 . . . . . . . 49 VAL CB . 27743 1 149 . 1 . 1 49 49 VAL N N 15 118.763 0.000 . . . . . . . 49 VAL N . 27743 1 150 . 1 . 1 50 50 LYS H H 1 7.514 0.000 . . . . . . . 50 LYS HN . 27743 1 151 . 1 . 1 50 50 LYS CA C 13 57.202 0.015 . . . . . . . 50 LYS CA . 27743 1 152 . 1 . 1 50 50 LYS CB C 13 29.145 0.031 . . . . . . . 50 LYS CB . 27743 1 153 . 1 . 1 50 50 LYS N N 15 118.466 0.000 . . . . . . . 50 LYS N . 27743 1 154 . 1 . 1 51 51 LYS H H 1 8.043 0.000 . . . . . . . 51 LYS HN . 27743 1 155 . 1 . 1 51 51 LYS CA C 13 52.983 0.163 . . . . . . . 51 LYS CA . 27743 1 156 . 1 . 1 51 51 LYS CB C 13 29.981 0.023 . . . . . . . 51 LYS CB . 27743 1 157 . 1 . 1 51 51 LYS N N 15 122.641 0.000 . . . . . . . 51 LYS N . 27743 1 158 . 1 . 1 52 52 LEU H H 1 8.524 0.000 . . . . . . . 52 LEU HN . 27743 1 159 . 1 . 1 52 52 LEU CA C 13 53.949 0.000 . . . . . . . 52 LEU CA . 27743 1 160 . 1 . 1 52 52 LEU CB C 13 37.401 0.093 . . . . . . . 52 LEU CB . 27743 1 161 . 1 . 1 52 52 LEU N N 15 119.060 0.000 . . . . . . . 52 LEU N . 27743 1 162 . 1 . 1 53 53 LYS H H 1 7.046 0.000 . . . . . . . 53 LYS HN . 27743 1 163 . 1 . 1 53 53 LYS CA C 13 51.660 0.009 . . . . . . . 53 LYS CA . 27743 1 164 . 1 . 1 53 53 LYS CB C 13 29.652 0.000 . . . . . . . 53 LYS CB . 27743 1 165 . 1 . 1 53 53 LYS N N 15 117.724 0.000 . . . . . . . 53 LYS N . 27743 1 166 . 1 . 1 54 54 LYS H H 1 7.908 0.000 . . . . . . . 54 LYS HN . 27743 1 167 . 1 . 1 54 54 LYS CA C 13 52.206 0.000 . . . . . . . 54 LYS CA . 27743 1 168 . 1 . 1 54 54 LYS CB C 13 26.555 0.035 . . . . . . . 54 LYS CB . 27743 1 169 . 1 . 1 54 54 LYS N N 15 124.361 0.000 . . . . . . . 54 LYS N . 27743 1 170 . 1 . 1 55 55 THR H H 1 8.142 0.000 . . . . . . . 55 THR HN . 27743 1 171 . 1 . 1 55 55 THR CA C 13 59.241 0.065 . . . . . . . 55 THR CA . 27743 1 172 . 1 . 1 55 55 THR CB C 13 67.103 0.000 . . . . . . . 55 THR CB . 27743 1 173 . 1 . 1 55 55 THR N N 15 122.922 0.000 . . . . . . . 55 THR N . 27743 1 174 . 1 . 1 56 56 GLY H H 1 7.752 0.000 . . . . . . . 56 GLY HN . 27743 1 175 . 1 . 1 56 56 GLY CA C 13 43.614 0.000 . . . . . . . 56 GLY CA . 27743 1 176 . 1 . 1 56 56 GLY N N 15 110.451 0.000 . . . . . . . 56 GLY N . 27743 1 177 . 1 . 1 57 57 ARG H H 1 7.989 0.000 . . . . . . . 57 ARG HN . 27743 1 178 . 1 . 1 57 57 ARG CA C 13 53.182 0.000 . . . . . . . 57 ARG CA . 27743 1 179 . 1 . 1 57 57 ARG CB C 13 27.369 0.000 . . . . . . . 57 ARG CB . 27743 1 180 . 1 . 1 57 57 ARG N N 15 119.951 0.000 . . . . . . . 57 ARG N . 27743 1 181 . 1 . 1 58 58 LEU H H 1 7.645 0.000 . . . . . . . 58 LEU HN . 27743 1 182 . 1 . 1 58 58 LEU CA C 13 55.530 0.000 . . . . . . . 58 LEU CA . 27743 1 183 . 1 . 1 58 58 LEU CB C 13 38.400 0.038 . . . . . . . 58 LEU CB . 27743 1 184 . 1 . 1 58 58 LEU N N 15 123.068 0.000 . . . . . . . 58 LEU N . 27743 1 185 . 1 . 1 59 59 ASP H H 1 8.640 0.000 . . . . . . . 59 ASP HN . 27743 1 186 . 1 . 1 59 59 ASP CA C 13 54.927 0.150 . . . . . . . 59 ASP CA . 27743 1 187 . 1 . 1 59 59 ASP CB C 13 39.398 0.000 . . . . . . . 59 ASP CB . 27743 1 188 . 1 . 1 59 59 ASP N N 15 122.453 0.000 . . . . . . . 59 ASP N . 27743 1 189 . 1 . 1 60 60 GLU H H 1 7.131 0.000 . . . . . . . 60 GLU HN . 27743 1 190 . 1 . 1 60 60 GLU CA C 13 58.618 0.000 . . . . . . . 60 GLU CA . 27743 1 191 . 1 . 1 60 60 GLU CB C 13 27.519 0.000 . . . . . . . 60 GLU CB . 27743 1 192 . 1 . 1 60 60 GLU N N 15 110.451 0.000 . . . . . . . 60 GLU N . 27743 1 193 . 1 . 1 62 62 GLU CA C 13 56.661 0.000 . . . . . . . 62 GLU CA . 27743 1 194 . 1 . 1 62 62 GLU CB C 13 29.722 0.000 . . . . . . . 62 GLU CB . 27743 1 195 . 1 . 1 63 63 LYS H H 1 7.243 0.000 . . . . . . . 63 LYS HN . 27743 1 196 . 1 . 1 63 63 LYS CA C 13 57.123 0.011 . . . . . . . 63 LYS CA . 27743 1 197 . 1 . 1 63 63 LYS CB C 13 29.165 0.000 . . . . . . . 63 LYS CB . 27743 1 198 . 1 . 1 63 63 LYS N N 15 118.141 0.000 . . . . . . . 63 LYS N . 27743 1 199 . 1 . 1 64 64 ALA H H 1 8.299 0.000 . . . . . . . 64 ALA HN . 27743 1 200 . 1 . 1 64 64 ALA CA C 13 53.581 0.000 . . . . . . . 64 ALA CA . 27743 1 201 . 1 . 1 64 64 ALA CB C 13 14.482 0.000 . . . . . . . 64 ALA CB . 27743 1 202 . 1 . 1 64 64 ALA N N 15 125.740 0.000 . . . . . . . 64 ALA N . 27743 1 203 . 1 . 1 65 65 ILE H H 1 7.647 0.000 . . . . . . . 65 ILE HN . 27743 1 204 . 1 . 1 65 65 ILE CA C 13 60.324 0.000 . . . . . . . 65 ILE CA . 27743 1 205 . 1 . 1 65 65 ILE CB C 13 34.453 0.000 . . . . . . . 65 ILE CB . 27743 1 206 . 1 . 1 65 65 ILE N N 15 113.716 0.000 . . . . . . . 65 ILE N . 27743 1 207 . 1 . 1 66 66 THR H H 1 7.505 0.000 . . . . . . . 66 THR HN . 27743 1 208 . 1 . 1 66 66 THR CA C 13 61.200 0.163 . . . . . . . 66 THR CA . 27743 1 209 . 1 . 1 66 66 THR CB C 13 67.035 0.033 . . . . . . . 66 THR CB . 27743 1 210 . 1 . 1 66 66 THR N N 15 108.669 0.000 . . . . . . . 66 THR N . 27743 1 211 . 1 . 1 67 67 THR H H 1 7.058 0.000 . . . . . . . 67 THR HN . 27743 1 212 . 1 . 1 67 67 THR CA C 13 59.021 0.124 . . . . . . . 67 THR CA . 27743 1 213 . 1 . 1 67 67 THR CB C 13 67.912 0.001 . . . . . . . 67 THR CB . 27743 1 214 . 1 . 1 67 67 THR N N 15 109.709 0.000 . . . . . . . 67 THR N . 27743 1 215 . 1 . 1 68 68 GLN H H 1 7.041 0.000 . . . . . . . 68 GLN HN . 27743 1 216 . 1 . 1 68 68 GLN CA C 13 53.573 0.150 . . . . . . . 68 GLN CA . 27743 1 217 . 1 . 1 68 68 GLN CB C 13 22.211 0.038 . . . . . . . 68 GLN CB . 27743 1 218 . 1 . 1 68 68 GLN N N 15 119.298 0.000 . . . . . . . 68 GLN N . 27743 1 219 . 1 . 1 69 69 ASN H H 1 6.360 0.000 . . . . . . . 69 ASN HN . 27743 1 220 . 1 . 1 69 69 ASN CA C 13 49.544 0.038 . . . . . . . 69 ASN CA . 27743 1 221 . 1 . 1 69 69 ASN CB C 13 37.307 0.001 . . . . . . . 69 ASN CB . 27743 1 222 . 1 . 1 69 69 ASN N N 15 115.328 0.000 . . . . . . . 69 ASN N . 27743 1 223 . 1 . 1 70 70 CYS H H 1 8.888 0.000 . . . . . . . 70 CYS HN . 27743 1 224 . 1 . 1 70 70 CYS CA C 13 55.532 0.000 . . . . . . . 70 CYS CA . 27743 1 225 . 1 . 1 70 70 CYS CB C 13 30.530 0.033 . . . . . . . 70 CYS CB . 27743 1 226 . 1 . 1 70 70 CYS N N 15 126.928 0.000 . . . . . . . 70 CYS N . 27743 1 227 . 1 . 1 71 71 ASN H H 1 8.187 0.000 . . . . . . . 71 ASN HN . 27743 1 228 . 1 . 1 71 71 ASN CA C 13 50.825 0.162 . . . . . . . 71 ASN CA . 27743 1 229 . 1 . 1 71 71 ASN CB C 13 34.745 0.162 . . . . . . . 71 ASN CB . 27743 1 230 . 1 . 1 71 71 ASN N N 15 118.763 0.000 . . . . . . . 71 ASN N . 27743 1 231 . 1 . 1 72 72 THR H H 1 6.918 0.000 . . . . . . . 72 THR HN . 27743 1 232 . 1 . 1 72 72 THR CA C 13 57.374 0.162 . . . . . . . 72 THR CA . 27743 1 233 . 1 . 1 72 72 THR CB C 13 69.078 0.000 . . . . . . . 72 THR CB . 27743 1 234 . 1 . 1 72 72 THR N N 15 109.263 0.000 . . . . . . . 72 THR N . 27743 1 235 . 1 . 1 73 73 LYS H H 1 9.337 0.000 . . . . . . . 73 LYS HN . 27743 1 236 . 1 . 1 73 73 LYS CA C 13 53.257 0.130 . . . . . . . 73 LYS CA . 27743 1 237 . 1 . 1 73 73 LYS CB C 13 30.624 0.126 . . . . . . . 73 LYS CB . 27743 1 238 . 1 . 1 73 73 LYS N N 15 122.326 0.000 . . . . . . . 73 LYS N . 27743 1 239 . 1 . 1 74 74 CYS H H 1 8.026 0.000 . . . . . . . 74 CYS HN . 27743 1 240 . 1 . 1 74 74 CYS CA C 13 60.629 0.000 . . . . . . . 74 CYS CA . 27743 1 241 . 1 . 1 74 74 CYS CB C 13 28.845 0.033 . . . . . . . 74 CYS CB . 27743 1 242 . 1 . 1 74 74 CYS N N 15 117.131 0.000 . . . . . . . 74 CYS N . 27743 1 243 . 1 . 1 75 75 VAL H H 1 7.967 0.000 . . . . . . . 75 VAL HN . 27743 1 244 . 1 . 1 75 75 VAL CA C 13 58.994 0.000 . . . . . . . 75 VAL CA . 27743 1 245 . 1 . 1 75 75 VAL CB C 13 30.682 0.000 . . . . . . . 75 VAL CB . 27743 1 246 . 1 . 1 75 75 VAL N N 15 124.404 0.000 . . . . . . . 75 VAL N . 27743 1 247 . 1 . 1 76 76 THR H H 1 7.472 0.000 . . . . . . . 76 THR HN . 27743 1 248 . 1 . 1 76 76 THR CA C 13 56.907 0.000 . . . . . . . 76 THR CA . 27743 1 249 . 1 . 1 76 76 THR CB C 13 67.934 0.247 . . . . . . . 76 THR CB . 27743 1 250 . 1 . 1 76 76 THR N N 15 115.349 0.000 . . . . . . . 76 THR N . 27743 1 251 . 1 . 1 77 77 ILE H H 1 8.025 0.000 . . . . . . . 77 ILE HN . 27743 1 252 . 1 . 1 77 77 ILE CA C 13 55.512 0.000 . . . . . . . 77 ILE CA . 27743 1 253 . 1 . 1 77 77 ILE CB C 13 36.463 0.000 . . . . . . . 77 ILE CB . 27743 1 254 . 1 . 1 77 77 ILE N N 15 113.123 0.000 . . . . . . . 77 ILE N . 27743 1 255 . 1 . 1 79 79 ARG CA C 13 55.003 0.000 . . . . . . . 109 ARG CA . 27743 1 256 . 1 . 1 79 79 ARG CB C 13 27.010 0.000 . . . . . . . 109 ARG CB . 27743 1 257 . 1 . 1 80 80 SER H H 1 7.689 0.000 . . . . . . . 110 SER HN . 27743 1 258 . 1 . 1 80 80 SER CA C 13 55.409 0.000 . . . . . . . 110 SER CA . 27743 1 259 . 1 . 1 80 80 SER CB C 13 61.096 0.096 . . . . . . . 110 SER CB . 27743 1 260 . 1 . 1 80 80 SER N N 15 118.170 0.000 . . . . . . . 110 SER N . 27743 1 261 . 1 . 1 81 81 LEU H H 1 8.256 0.000 . . . . . . . 111 LEU HN . 27743 1 262 . 1 . 1 81 81 LEU CA C 13 52.939 0.055 . . . . . . . 111 LEU CA . 27743 1 263 . 1 . 1 81 81 LEU CB C 13 39.046 0.031 . . . . . . . 111 LEU CB . 27743 1 264 . 1 . 1 81 81 LEU N N 15 125.454 0.000 . . . . . . . 111 LEU N . 27743 1 265 . 1 . 1 82 82 ASP H H 1 7.785 0.000 . . . . . . . 112 ASP HN . 27743 1 266 . 1 . 1 82 82 ASP CA C 13 54.921 0.000 . . . . . . . 112 ASP CA . 27743 1 267 . 1 . 1 82 82 ASP CB C 13 35.780 0.218 . . . . . . . 112 ASP CB . 27743 1 268 . 1 . 1 82 82 ASP N N 15 120.396 0.000 . . . . . . . 112 ASP N . 27743 1 269 . 1 . 1 83 83 GLY H H 1 121.881 0.000 . . . . . . . 113 GLY HN . 27743 1 270 . 1 . 1 83 83 GLY CA C 13 42.805 0.000 . . . . . . . 113 GLY CA . 27743 1 271 . 1 . 1 83 83 GLY N N 15 7.732 0.000 . . . . . . . 113 GLY N . 27743 1 272 . 1 . 1 84 84 ARG H H 1 121.881 0.000 . . . . . . . 114 ARG HN . 27743 1 273 . 1 . 1 84 84 ARG CA C 13 55.687 0.000 . . . . . . . 114 ARG CA . 27743 1 274 . 1 . 1 84 84 ARG CB C 13 26.660 0.000 . . . . . . . 114 ARG CB . 27743 1 275 . 1 . 1 84 84 ARG N N 15 7.730 0.000 . . . . . . . 114 ARG N . 27743 1 276 . 1 . 1 85 85 LEU H H 1 8.191 0.000 . . . . . . . 115 LEU HN . 27743 1 277 . 1 . 1 85 85 LEU CA C 13 56.164 0.000 . . . . . . . 115 LEU CA . 27743 1 278 . 1 . 1 85 85 LEU CB C 13 38.284 0.000 . . . . . . . 115 LEU CB . 27743 1 279 . 1 . 1 85 85 LEU N N 15 122.673 0.000 . . . . . . . 115 LEU N . 27743 1 280 . 1 . 1 86 86 GLN H H 1 7.989 0.000 . . . . . . . 116 GLN HN . 27743 1 281 . 1 . 1 86 86 GLN CA C 13 53.927 0.051 . . . . . . . 116 GLN CA . 27743 1 282 . 1 . 1 86 86 GLN CB C 13 26.625 0.174 . . . . . . . 116 GLN CB . 27743 1 283 . 1 . 1 86 86 GLN N N 15 120.953 0.000 . . . . . . . 116 GLN N . 27743 1 284 . 1 . 1 87 87 VAL H H 1 7.957 0.000 . . . . . . . 117 VAL HN . 27743 1 285 . 1 . 1 87 87 VAL CA C 13 59.271 0.452 . . . . . . . 117 VAL CA . 27743 1 286 . 1 . 1 87 87 VAL CB C 13 29.861 0.069 . . . . . . . 117 VAL CB . 27743 1 287 . 1 . 1 87 87 VAL N N 15 122.360 0.000 . . . . . . . 117 VAL N . 27743 1 288 . 1 . 1 88 88 SER H H 1 8.197 0.000 . . . . . . . 118 SER HN . 27743 1 289 . 1 . 1 88 88 SER CA C 13 55.825 0.015 . . . . . . . 118 SER CA . 27743 1 290 . 1 . 1 88 88 SER CB C 13 61.683 0.149 . . . . . . . 118 SER CB . 27743 1 291 . 1 . 1 88 88 SER N N 15 127.174 0.000 . . . . . . . 118 SER N . 27743 1 292 . 1 . 1 89 89 HIS H H 1 7.849 0.000 . . . . . . . 119 HIS HN . 27743 1 293 . 1 . 1 89 89 HIS CA C 13 57.216 0.000 . . . . . . . 119 HIS CA . 27743 1 294 . 1 . 1 89 89 HIS N N 15 123.810 0.000 . . . . . . . 119 HIS N . 27743 1 295 . 1 . 1 90 90 ARG CA C 13 54.933 0.000 . . . . . . . 120 ARG CA . 27743 1 296 . 1 . 1 90 90 ARG CB C 13 26.691 0.000 . . . . . . . 120 ARG CB . 27743 1 297 . 1 . 1 91 91 LYS H H 1 7.702 0.000 . . . . . . . 121 LYS HN . 27743 1 298 . 1 . 1 91 91 LYS CA C 13 53.288 0.037 . . . . . . . 121 LYS CA . 27743 1 299 . 1 . 1 91 91 LYS CB C 13 30.153 0.000 . . . . . . . 121 LYS CB . 27743 1 300 . 1 . 1 91 91 LYS N N 15 124.256 0.000 . . . . . . . 121 LYS N . 27743 1 301 . 1 . 1 92 92 GLY H H 1 7.933 0.000 . . . . . . . 122 GLY HN . 27743 1 302 . 1 . 1 92 92 GLY CA C 13 42.152 0.100 . . . . . . . 122 GLY CA . 27743 1 303 . 1 . 1 92 92 GLY N N 15 108.859 0.000 . . . . . . . 122 GLY N . 27743 1 304 . 1 . 1 93 93 LEU H H 1 7.874 0.000 . . . . . . . 123 LEU HN . 27743 1 305 . 1 . 1 93 93 LEU CA C 13 50.396 0.000 . . . . . . . 123 LEU CA . 27743 1 306 . 1 . 1 93 93 LEU CB C 13 38.284 0.000 . . . . . . . 123 LEU CB . 27743 1 307 . 1 . 1 93 93 LEU N N 15 123.766 0.000 . . . . . . . 123 LEU N . 27743 1 308 . 1 . 1 94 94 PRO CA C 13 60.488 0.000 . . . . . . . 124 PRO CA . 27743 1 309 . 1 . 1 95 95 HIS H H 1 8.519 0.000 . . . . . . . 125 HIS HN . 27743 1 310 . 1 . 1 95 95 HIS CA C 13 52.886 0.000 . . . . . . . 125 HIS CA . 27743 1 311 . 1 . 1 95 95 HIS CB C 13 29.495 0.000 . . . . . . . 125 HIS CB . 27743 1 312 . 1 . 1 95 95 HIS N N 15 121.287 0.000 . . . . . . . 125 HIS N . 27743 1 313 . 1 . 1 96 96 VAL CA C 13 62.877 0.000 . . . . . . . 126 VAL CA . 27743 1 314 . 1 . 1 96 96 VAL CB C 13 27.528 0.000 . . . . . . . 126 VAL CB . 27743 1 315 . 1 . 1 97 97 ILE H H 1 7.465 0.001 . . . . . . . 127 ILE HN . 27743 1 316 . 1 . 1 97 97 ILE CA C 13 62.393 0.112 . . . . . . . 127 ILE CA . 27743 1 317 . 1 . 1 97 97 ILE CB C 13 34.166 0.075 . . . . . . . 127 ILE CB . 27743 1 318 . 1 . 1 97 97 ILE N N 15 119.266 0.000 . . . . . . . 127 ILE N . 27743 1 319 . 1 . 1 98 98 TYR H H 1 7.582 0.000 . . . . . . . 128 TYR HN . 27743 1 320 . 1 . 1 98 98 TYR CA C 13 60.575 0.083 . . . . . . . 128 TYR CA . 27743 1 321 . 1 . 1 98 98 TYR CB C 13 33.792 0.000 . . . . . . . 128 TYR CB . 27743 1 322 . 1 . 1 98 98 TYR N N 15 116.734 0.000 . . . . . . . 128 TYR N . 27743 1 323 . 1 . 1 99 99 CYS H H 1 7.964 0.000 . . . . . . . 129 CYS HN . 27743 1 324 . 1 . 1 99 99 CYS CA C 13 62.594 0.059 . . . . . . . 129 CYS CA . 27743 1 325 . 1 . 1 99 99 CYS CB C 13 24.680 0.210 . . . . . . . 129 CYS CB . 27743 1 326 . 1 . 1 99 99 CYS N N 15 119.357 0.000 . . . . . . . 129 CYS N . 27743 1 327 . 1 . 1 100 100 ARG H H 1 8.553 0.000 . . . . . . . 130 ARG HN . 27743 1 328 . 1 . 1 100 100 ARG CA C 13 53.501 1.359 . . . . . . . 130 ARG CA . 27743 1 329 . 1 . 1 100 100 ARG CB C 13 27.358 0.017 . . . . . . . 130 ARG CB . 27743 1 330 . 1 . 1 100 100 ARG N N 15 125.735 0.000 . . . . . . . 130 ARG N . 27743 1 331 . 1 . 1 101 101 LEU H H 1 6.941 0.000 . . . . . . . 131 LEU HN . 27743 1 332 . 1 . 1 101 101 LEU CA C 13 54.857 0.066 . . . . . . . 131 LEU CA . 27743 1 333 . 1 . 1 101 101 LEU CB C 13 40.257 0.064 . . . . . . . 131 LEU CB . 27743 1 334 . 1 . 1 101 101 LEU N N 15 115.349 0.000 . . . . . . . 131 LEU N . 27743 1 335 . 1 . 1 102 102 TRP H H 1 8.982 0.000 . . . . . . . 132 TRP HN . 27743 1 336 . 1 . 1 102 102 TRP CA C 13 51.484 0.000 . . . . . . . 132 TRP CA . 27743 1 337 . 1 . 1 102 102 TRP CB C 13 29.613 0.000 . . . . . . . 132 TRP CB . 27743 1 338 . 1 . 1 102 102 TRP N N 15 118.912 0.000 . . . . . . . 132 TRP N . 27743 1 339 . 1 . 1 103 103 ARG H H 1 9.099 0.000 . . . . . . . 133 ARG HN . 27743 1 340 . 1 . 1 103 103 ARG CA C 13 57.134 0.004 . . . . . . . 133 ARG CA . 27743 1 341 . 1 . 1 103 103 ARG CB C 13 31.950 0.195 . . . . . . . 133 ARG CB . 27743 1 342 . 1 . 1 103 103 ARG N N 15 119.357 0.000 . . . . . . . 133 ARG N . 27743 1 343 . 1 . 1 104 104 TRP H H 1 7.994 0.000 . . . . . . . 134 TRP HN . 27743 1 344 . 1 . 1 104 104 TRP CA C 13 56.806 0.000 . . . . . . . 134 TRP CA . 27743 1 345 . 1 . 1 104 104 TRP CB C 13 27.341 0.000 . . . . . . . 134 TRP CB . 27743 1 346 . 1 . 1 104 104 TRP N N 15 128.299 0.000 . . . . . . . 134 TRP N . 27743 1 347 . 1 . 1 105 105 PRO CA C 13 62.387 0.000 . . . . . . . 135 PRO CA . 27743 1 348 . 1 . 1 105 105 PRO CB C 13 29.215 0.000 . . . . . . . 135 PRO CB . 27743 1 349 . 1 . 1 106 106 ASP H H 1 8.302 0.000 . . . . . . . 136 ASP HN . 27743 1 350 . 1 . 1 106 106 ASP CA C 13 49.856 0.036 . . . . . . . 136 ASP CA . 27743 1 351 . 1 . 1 106 106 ASP CB C 13 37.104 0.180 . . . . . . . 136 ASP CB . 27743 1 352 . 1 . 1 106 106 ASP N N 15 114.310 0.000 . . . . . . . 136 ASP N . 27743 1 353 . 1 . 1 107 107 LEU H H 1 7.350 0.000 . . . . . . . 137 LEU HN . 27743 1 354 . 1 . 1 107 107 LEU CA C 13 53.380 0.101 . . . . . . . 137 LEU CA . 27743 1 355 . 1 . 1 107 107 LEU CB C 13 40.607 0.103 . . . . . . . 137 LEU CB . 27743 1 356 . 1 . 1 107 107 LEU N N 15 122.623 0.000 . . . . . . . 137 LEU N . 27743 1 357 . 1 . 1 108 108 HIS H H 1 9.586 0.000 . . . . . . . 138 HIS HN . 27743 1 358 . 1 . 1 108 108 HIS CA C 13 53.639 0.216 . . . . . . . 138 HIS CA . 27743 1 359 . 1 . 1 108 108 HIS CB C 13 27.896 0.000 . . . . . . . 138 HIS CB . 27743 1 360 . 1 . 1 108 108 HIS N N 15 126.779 0.000 . . . . . . . 138 HIS N . 27743 1 361 . 1 . 1 109 109 SER H H 1 8.192 0.000 . . . . . . . 139 SER HN . 27743 1 362 . 1 . 1 109 109 SER CA C 13 54.932 0.146 . . . . . . . 139 SER CA . 27743 1 363 . 1 . 1 109 109 SER CB C 13 61.395 0.000 . . . . . . . 139 SER CB . 27743 1 364 . 1 . 1 109 109 SER N N 15 117.578 0.000 . . . . . . . 139 SER N . 27743 1 365 . 1 . 1 110 110 HIS H H 1 8.079 0.000 . . . . . . . 140 HIS HN . 27743 1 366 . 1 . 1 110 110 HIS CA C 13 53.398 0.000 . . . . . . . 140 HIS CA . 27743 1 367 . 1 . 1 110 110 HIS CB C 13 29.641 0.000 . . . . . . . 140 HIS CB . 27743 1 368 . 1 . 1 110 110 HIS N N 15 123.485 0.000 . . . . . . . 140 HIS N . 27743 1 369 . 1 . 1 111 111 HIS H H 1 7.905 0.000 . . . . . . . 141 HIS HN . 27743 1 370 . 1 . 1 111 111 HIS CA C 13 53.105 0.000 . . . . . . . 141 HIS CA . 27743 1 371 . 1 . 1 111 111 HIS CB C 13 30.153 0.000 . . . . . . . 141 HIS CB . 27743 1 372 . 1 . 1 111 111 HIS N N 15 123.365 0.000 . . . . . . . 141 HIS N . 27743 1 373 . 1 . 1 113 113 LEU CA C 13 50.598 0.000 . . . . . . . 143 LEU CA . 27743 1 374 . 1 . 1 113 113 LEU CB C 13 42.360 0.000 . . . . . . . 143 LEU CB . 27743 1 375 . 1 . 1 114 114 LYS H H 1 8.992 0.000 . . . . . . . 144 LYS HN . 27743 1 376 . 1 . 1 114 114 LYS CA C 13 52.219 0.000 . . . . . . . 144 LYS CA . 27743 1 377 . 1 . 1 114 114 LYS CB C 13 32.930 0.033 . . . . . . . 144 LYS CB . 27743 1 378 . 1 . 1 114 114 LYS N N 15 123.365 0.000 . . . . . . . 144 LYS N . 27743 1 379 . 1 . 1 115 115 ALA H H 1 8.842 0.000 . . . . . . . 145 ALA HN . 27743 1 380 . 1 . 1 115 115 ALA CA C 13 49.237 0.000 . . . . . . . 145 ALA CA . 27743 1 381 . 1 . 1 115 115 ALA CB C 13 18.835 0.073 . . . . . . . 145 ALA CB . 27743 1 382 . 1 . 1 115 115 ALA N N 15 130.045 0.000 . . . . . . . 145 ALA N . 27743 1 383 . 1 . 1 116 116 ILE H H 1 7.698 0.000 . . . . . . . 146 ILE HN . 27743 1 384 . 1 . 1 116 116 ILE CA C 13 58.664 0.169 . . . . . . . 146 ILE CA . 27743 1 385 . 1 . 1 116 116 ILE CB C 13 35.231 0.000 . . . . . . . 146 ILE CB . 27743 1 386 . 1 . 1 116 116 ILE N N 15 115.795 0.000 . . . . . . . 146 ILE N . 27743 1 387 . 1 . 1 117 117 GLU H H 1 8.622 0.000 . . . . . . . 147 GLU HN . 27743 1 388 . 1 . 1 117 117 GLU CA C 13 57.083 0.130 . . . . . . . 147 GLU CA . 27743 1 389 . 1 . 1 117 117 GLU CB C 13 26.413 0.130 . . . . . . . 147 GLU CB . 27743 1 390 . 1 . 1 117 117 GLU N N 15 122.771 0.000 . . . . . . . 147 GLU N . 27743 1 391 . 1 . 1 118 118 ASN H H 1 7.715 0.000 . . . . . . . 148 ASN HN . 27743 1 392 . 1 . 1 118 118 ASN CA C 13 50.145 0.064 . . . . . . . 148 ASN CA . 27743 1 393 . 1 . 1 118 118 ASN CB C 13 34.291 0.032 . . . . . . . 148 ASN CB . 27743 1 394 . 1 . 1 118 118 ASN N N 15 111.193 0.000 . . . . . . . 148 ASN N . 27743 1 395 . 1 . 1 119 119 CYS H H 1 6.862 0.000 . . . . . . . 149 CYS HN . 27743 1 396 . 1 . 1 119 119 CYS CA C 13 58.946 0.017 . . . . . . . 149 CYS CA . 27743 1 397 . 1 . 1 119 119 CYS CB C 13 25.460 0.020 . . . . . . . 149 CYS CB . 27743 1 398 . 1 . 1 119 119 CYS N N 15 124.107 0.000 . . . . . . . 149 CYS N . 27743 1 399 . 1 . 1 120 120 GLU H H 1 6.895 0.000 . . . . . . . 150 GLU HN . 27743 1 400 . 1 . 1 120 120 GLU CA C 13 54.831 0.083 . . . . . . . 150 GLU CA . 27743 1 401 . 1 . 1 120 120 GLU CB C 13 27.989 0.045 . . . . . . . 150 GLU CB . 27743 1 402 . 1 . 1 120 120 GLU N N 15 133.310 0.000 . . . . . . . 150 GLU N . 27743 1 403 . 1 . 1 121 121 TYR H H 1 7.866 0.000 . . . . . . . 151 TYR HN . 27743 1 404 . 1 . 1 121 121 TYR CA C 13 55.193 0.340 . . . . . . . 151 TYR CA . 27743 1 405 . 1 . 1 121 121 TYR CB C 13 36.060 0.000 . . . . . . . 151 TYR CB . 27743 1 406 . 1 . 1 121 121 TYR N N 15 116.537 0.000 . . . . . . . 151 TYR N . 27743 1 407 . 1 . 1 122 122 ALA H H 1 6.817 0.000 . . . . . . . 152 ALA HN . 27743 1 408 . 1 . 1 122 122 ALA CA C 13 50.728 0.000 . . . . . . . 152 ALA CA . 27743 1 409 . 1 . 1 122 122 ALA CB C 13 18.107 0.000 . . . . . . . 152 ALA CB . 27743 1 410 . 1 . 1 122 122 ALA N N 15 129.896 0.000 . . . . . . . 152 ALA N . 27743 1 411 . 1 . 1 123 123 PHE CA C 13 54.950 0.000 . . . . . . . 153 PHE CA . 27743 1 412 . 1 . 1 123 123 PHE CB C 13 36.147 0.000 . . . . . . . 153 PHE CB . 27743 1 413 . 1 . 1 124 124 ASN H H 1 7.933 0.000 . . . . . . . 154 ASN HN . 27743 1 414 . 1 . 1 124 124 ASN CA C 13 52.264 0.255 . . . . . . . 154 ASN CA . 27743 1 415 . 1 . 1 124 124 ASN CB C 13 38.283 0.000 . . . . . . . 154 ASN CB . 27743 1 416 . 1 . 1 124 124 ASN N N 15 122.360 0.000 . . . . . . . 154 ASN N . 27743 1 417 . 1 . 1 125 125 LEU H H 1 7.705 0.000 . . . . . . . 155 LEU HN . 27743 1 418 . 1 . 1 125 125 LEU CA C 13 54.698 0.249 . . . . . . . 155 LEU CA . 27743 1 419 . 1 . 1 125 125 LEU CB C 13 36.405 0.000 . . . . . . . 155 LEU CB . 27743 1 420 . 1 . 1 125 125 LEU N N 15 119.579 0.000 . . . . . . . 155 LEU N . 27743 1 421 . 1 . 1 126 126 LYS H H 1 7.480 0.000 . . . . . . . 156 LYS HN . 27743 1 422 . 1 . 1 126 126 LYS CA C 13 55.446 0.214 . . . . . . . 156 LYS CA . 27743 1 423 . 1 . 1 126 126 LYS CB C 13 26.096 0.000 . . . . . . . 156 LYS CB . 27743 1 424 . 1 . 1 126 126 LYS N N 15 123.068 0.000 . . . . . . . 156 LYS N . 27743 1 425 . 1 . 1 127 127 LYS H H 1 7.334 0.000 . . . . . . . 157 LYS HN . 27743 1 426 . 1 . 1 127 127 LYS CA C 13 55.285 0.000 . . . . . . . 157 LYS CA . 27743 1 427 . 1 . 1 127 127 LYS CB C 13 25.740 0.000 . . . . . . . 157 LYS CB . 27743 1 428 . 1 . 1 127 127 LYS N N 15 120.248 0.000 . . . . . . . 157 LYS N . 27743 1 429 . 1 . 1 128 128 ASP H H 1 7.308 0.000 . . . . . . . 158 ASP HN . 27743 1 430 . 1 . 1 128 128 ASP CA C 13 54.973 0.117 . . . . . . . 158 ASP CA . 27743 1 431 . 1 . 1 128 128 ASP CB C 13 36.815 0.000 . . . . . . . 158 ASP CB . 27743 1 432 . 1 . 1 128 128 ASP N N 15 119.654 0.000 . . . . . . . 158 ASP N . 27743 1 433 . 1 . 1 129 129 GLU H H 1 7.551 0.000 . . . . . . . 159 GLU HN . 27743 1 434 . 1 . 1 129 129 GLU CA C 13 54.548 0.000 . . . . . . . 159 GLU CA . 27743 1 435 . 1 . 1 129 129 GLU CB C 13 27.731 0.000 . . . . . . . 159 GLU CB . 27743 1 436 . 1 . 1 129 129 GLU N N 15 126.928 0.000 . . . . . . . 159 GLU N . 27743 1 437 . 1 . 1 131 131 CYS CA C 13 56.731 0.000 . . . . . . . 161 CYS CA . 27743 1 438 . 1 . 1 131 131 CYS CB C 13 27.704 0.000 . . . . . . . 161 CYS CB . 27743 1 439 . 1 . 1 132 132 VAL H H 1 9.183 0.000 . . . . . . . 162 VAL HN . 27743 1 440 . 1 . 1 132 132 VAL CA C 13 57.205 0.057 . . . . . . . 162 VAL CA . 27743 1 441 . 1 . 1 132 132 VAL CB C 13 28.678 0.069 . . . . . . . 162 VAL CB . 27743 1 442 . 1 . 1 132 132 VAL N N 15 122.641 0.000 . . . . . . . 162 VAL N . 27743 1 443 . 1 . 1 133 133 ASN H H 1 8.750 0.000 . . . . . . . 163 ASN HN . 27743 1 444 . 1 . 1 133 133 ASN CA C 13 48.517 0.000 . . . . . . . 163 ASN CA . 27743 1 445 . 1 . 1 133 133 ASN CB C 13 35.709 0.000 . . . . . . . 163 ASN CB . 27743 1 446 . 1 . 1 133 133 ASN N N 15 123.766 0.000 . . . . . . . 163 ASN N . 27743 1 447 . 1 . 1 134 134 PRO CA C 13 60.726 0.000 . . . . . . . 164 PRO CA . 27743 1 448 . 1 . 1 134 134 PRO CB C 13 29.176 0.000 . . . . . . . 164 PRO CB . 27743 1 449 . 1 . 1 135 135 TYR H H 1 7.844 0.000 . . . . . . . 165 TYR HN . 27743 1 450 . 1 . 1 135 135 TYR CA C 13 55.229 0.075 . . . . . . . 165 TYR CA . 27743 1 451 . 1 . 1 135 135 TYR CB C 13 35.489 0.000 . . . . . . . 165 TYR CB . 27743 1 452 . 1 . 1 135 135 TYR N N 15 119.828 0.000 . . . . . . . 165 TYR N . 27743 1 453 . 1 . 1 136 136 HIS H H 1 7.950 0.000 . . . . . . . 166 HIS HN . 27743 1 454 . 1 . 1 136 136 HIS CA C 13 52.886 0.000 . . . . . . . 166 HIS CA . 27743 1 455 . 1 . 1 136 136 HIS CB C 13 26.446 0.095 . . . . . . . 166 HIS CB . 27743 1 456 . 1 . 1 136 136 HIS N N 15 123.810 0.000 . . . . . . . 166 HIS N . 27743 1 457 . 1 . 1 137 137 TYR H H 1 7.976 0.000 . . . . . . . 167 TYR HN . 27743 1 458 . 1 . 1 137 137 TYR CA C 13 52.415 0.000 . . . . . . . 167 TYR CA . 27743 1 459 . 1 . 1 137 137 TYR CB C 13 38.303 0.037 . . . . . . . 167 TYR CB . 27743 1 460 . 1 . 1 137 137 TYR N N 15 126.611 0.000 . . . . . . . 167 TYR N . 27743 1 461 . 1 . 1 138 138 GLN H H 1 7.989 0.000 . . . . . . . 168 GLN HN . 27743 1 462 . 1 . 1 138 138 GLN CA C 13 54.292 0.056 . . . . . . . 168 GLN CA . 27743 1 463 . 1 . 1 138 138 GLN CB C 13 27.495 0.000 . . . . . . . 168 GLN CB . 27743 1 464 . 1 . 1 138 138 GLN N N 15 121.235 0.000 . . . . . . . 168 GLN N . 27743 1 465 . 1 . 1 139 139 ARG H H 1 8.247 0.000 . . . . . . . 169 ARG HN . 27743 1 466 . 1 . 1 139 139 ARG CA C 13 53.946 0.000 . . . . . . . 169 ARG CA . 27743 1 467 . 1 . 1 139 139 ARG CB C 13 27.216 0.000 . . . . . . . 169 ARG CB . 27743 1 468 . 1 . 1 139 139 ARG N N 15 122.111 0.000 . . . . . . . 169 ARG N . 27743 1 469 . 1 . 1 140 140 VAL H H 1 8.056 0.000 . . . . . . . 170 VAL HN . 27743 1 470 . 1 . 1 140 140 VAL CA C 13 59.046 0.052 . . . . . . . 170 VAL CA . 27743 1 471 . 1 . 1 140 140 VAL CB C 13 30.174 0.453 . . . . . . . 170 VAL CB . 27743 1 472 . 1 . 1 140 140 VAL N N 15 123.204 0.000 . . . . . . . 170 VAL N . 27743 1 473 . 1 . 1 141 141 GLU H H 1 8.268 0.000 . . . . . . . 171 GLU HN . 27743 1 474 . 1 . 1 141 141 GLU CA C 13 53.451 0.000 . . . . . . . 171 GLU CA . 27743 1 475 . 1 . 1 141 141 GLU CB C 13 27.354 0.033 . . . . . . . 171 GLU CB . 27743 1 476 . 1 . 1 141 141 GLU N N 15 124.552 0.000 . . . . . . . 171 GLU N . 27743 1 477 . 1 . 1 142 142 THR H H 1 8.130 0.000 . . . . . . . 172 THR HN . 27743 1 478 . 1 . 1 142 142 THR CA C 13 56.888 0.000 . . . . . . . 172 THR CA . 27743 1 479 . 1 . 1 142 142 THR CB C 13 67.197 0.000 . . . . . . . 172 THR CB . 27743 1 480 . 1 . 1 142 142 THR N N 15 118.912 0.000 . . . . . . . 172 THR N . 27743 1 481 . 1 . 1 143 143 PRO CA C 13 60.699 0.000 . . . . . . . 173 PRO CA . 27743 1 482 . 1 . 1 143 143 PRO CB C 13 29.136 0.000 . . . . . . . 173 PRO CB . 27743 1 483 . 1 . 1 148 148 SER H H 1 8.315 0.000 . . . . . . . 178 SER HN . 27743 1 484 . 1 . 1 148 148 SER CA C 13 55.296 0.000 . . . . . . . 178 SER CA . 27743 1 485 . 1 . 1 148 148 SER CB C 13 61.924 0.000 . . . . . . . 178 SER CB . 27743 1 486 . 1 . 1 148 148 SER N N 15 117.873 0.000 . . . . . . . 178 SER N . 27743 1 487 . 1 . 1 149 149 SER H H 1 7.763 0.000 . . . . . . . 179 SER HN . 27743 1 488 . 1 . 1 149 149 SER CA C 13 56.664 0.000 . . . . . . . 179 SER CA . 27743 1 489 . 1 . 1 149 149 SER CB C 13 62.068 0.000 . . . . . . . 179 SER CB . 27743 1 490 . 1 . 1 149 149 SER N N 15 123.799 0.000 . . . . . . . 179 SER N . 27743 1 stop_ save_