data_31034 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31034 _Entry.Title ; Preligand association structure of DR5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-07-17 _Entry.Accession_date 2022-07-17 _Entry.Last_release_date 2022-08-13 _Entry.Original_release_date 2022-08-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 . _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 G. Du G. . . . 31034 2 L. Zhao L. . . . 31034 3 J. Chou J. J. . . 31034 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID APOPTOSIS . 31034 'autoinhibition state' . 31034 'preligand association structure' . 31034 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31034 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 348 31034 '15N chemical shifts' 97 31034 '1H chemical shifts' 386 31034 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 . . 2023-02-24 2022-07-17 update BMRB 'update entry citation' 31034 1 . . 2023-02-09 2022-07-17 original author 'original release' 31034 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8DPX 'BMRB Entry Tracking System' 31034 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31034 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36604598 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Autoinhibitory structure of preligand association state implicates a new strategy to attain effective DR5 receptor activation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Cell Res.' _Citation.Journal_name_full 'Cell research' _Citation.Journal_volume 33 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1748-7838 _Citation.Journal_CSD 0353 _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 131 _Citation.Page_last 146 _Citation.Year 2023 _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 Gang Du G. . . . 31034 1 2 Linlin Zhao L. . . . 31034 1 3 Yumei Zheng Y. . . . 31034 1 4 Anissa Belfetmi A. . . . 31034 1 5 Tiantian Cai T. . . . 31034 1 6 Boying Xu B. . . . 31034 1 7 Karen Heyninck K. . . . 31034 1 8 Kim 'Van Den Heede' K. . . . 31034 1 9 Marie-Ange Buyse M. A. . . 31034 1 10 Pietro Fontana P. . . . 31034 1 11 Michael Bowman M. . . . 31034 1 12 Lih-Ling Lin L. L. . . 31034 1 13 Hao Wu H. . . . 31034 1 14 'James Jeiwen' Chou J. J. . . 31034 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31034 _Assembly.ID 1 _Assembly.Name 'Tumor necrosis factor receptor superfamily member 10B' _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 unit_1 1 $entity_1 A A yes . . . . . . 31034 1 2 unit_2 1 $entity_1 B B yes . . . . . . 31034 1 3 unit_3 1 $entity_1 C C yes . . . . . . 31034 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 5 5 SG . 1 . 1 CYS 18 18 SG . . . . . . . . . . . . 31034 1 2 disulfide single . 1 . 1 CYS 21 21 SG . 1 . 1 CYS 37 37 SG . . . . . . . . . . . . 31034 1 3 disulfide single . 1 . 1 CYS 40 40 SG . 1 . 1 CYS 53 53 SG . . . . . . . . . . . . 31034 1 4 disulfide single . 1 . 1 CYS 43 43 SG . 1 . 1 CYS 61 61 SG . . . . . . . . . . . . 31034 1 5 disulfide single . 1 . 1 CYS 63 63 SG . 1 . 1 CYS 77 77 SG . . . . . . . . . . . . 31034 1 6 disulfide single . 1 . 1 CYS 80 80 SG . 1 . 1 CYS 94 94 SG . . . . . . . . . . . . 31034 1 7 disulfide single . 1 . 1 CYS 84 84 SG . 1 . 1 CYS 102 102 SG . . . . . . . . . . . . 31034 1 8 disulfide single . 2 . 1 CYS 5 5 SG . 2 . 1 CYS 18 18 SG . . . . . . . . . . . . 31034 1 9 disulfide single . 2 . 1 CYS 21 21 SG . 2 . 1 CYS 37 37 SG . . . . . . . . . . . . 31034 1 10 disulfide single . 2 . 1 CYS 40 40 SG . 2 . 1 CYS 53 53 SG . . . . . . . . . . . . 31034 1 11 disulfide single . 2 . 1 CYS 43 43 SG . 2 . 1 CYS 61 61 SG . . . . . . . . . . . . 31034 1 12 disulfide single . 2 . 1 CYS 63 63 SG . 2 . 1 CYS 77 77 SG . . . . . . . . . . . . 31034 1 13 disulfide single . 2 . 1 CYS 80 80 SG . 2 . 1 CYS 94 94 SG . . . . . . . . . . . . 31034 1 14 disulfide single . 2 . 1 CYS 84 84 SG . 2 . 1 CYS 102 102 SG . . . . . . . . . . . . 31034 1 15 disulfide single . 3 . 1 CYS 5 5 SG . 3 . 1 CYS 18 18 SG . . . . . . . . . . . . 31034 1 16 disulfide single . 3 . 1 CYS 21 21 SG . 3 . 1 CYS 37 37 SG . . . . . . . . . . . . 31034 1 17 disulfide single . 3 . 1 CYS 40 40 SG . 3 . 1 CYS 53 53 SG . . . . . . . . . . . . 31034 1 18 disulfide single . 3 . 1 CYS 43 43 SG . 3 . 1 CYS 61 61 SG . . . . . . . . . . . . 31034 1 19 disulfide single . 3 . 1 CYS 63 63 SG . 3 . 1 CYS 77 77 SG . . . . . . . . . . . . 31034 1 20 disulfide single . 3 . 1 CYS 80 80 SG . 3 . 1 CYS 94 94 SG . . . . . . . . . . . . 31034 1 21 disulfide single . 3 . 1 CYS 84 84 SG . 3 . 1 CYS 102 102 SG . . . . . . . . . . . . 31034 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31034 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B,C _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SEGLCPPGHHISEDGRDCIS CKYGQDYSTHWNDLLFCLRC TRCDSGEVELSPCTTTRNTV CQCEEGTFREEDSPEMCRKC RTGCPRGMVKVGDCTPWSDI ECVHKESGD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12232.644 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Death receptor 5' common 31034 1 'TNF-related apoptosis-inducing ligand receptor 2' common 31034 1 'TRAIL receptor 2' common 31034 1 TRAIL-R2 common 31034 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 77 SER . 31034 1 2 78 GLU . 31034 1 3 79 GLY . 31034 1 4 80 LEU . 31034 1 5 81 CYS . 31034 1 6 82 PRO . 31034 1 7 83 PRO . 31034 1 8 84 GLY . 31034 1 9 85 HIS . 31034 1 10 86 HIS . 31034 1 11 87 ILE . 31034 1 12 88 SER . 31034 1 13 89 GLU . 31034 1 14 90 ASP . 31034 1 15 91 GLY . 31034 1 16 92 ARG . 31034 1 17 93 ASP . 31034 1 18 94 CYS . 31034 1 19 95 ILE . 31034 1 20 96 SER . 31034 1 21 97 CYS . 31034 1 22 98 LYS . 31034 1 23 99 TYR . 31034 1 24 100 GLY . 31034 1 25 101 GLN . 31034 1 26 102 ASP . 31034 1 27 103 TYR . 31034 1 28 104 SER . 31034 1 29 105 THR . 31034 1 30 106 HIS . 31034 1 31 107 TRP . 31034 1 32 108 ASN . 31034 1 33 109 ASP . 31034 1 34 110 LEU . 31034 1 35 111 LEU . 31034 1 36 112 PHE . 31034 1 37 113 CYS . 31034 1 38 114 LEU . 31034 1 39 115 ARG . 31034 1 40 116 CYS . 31034 1 41 117 THR . 31034 1 42 118 ARG . 31034 1 43 119 CYS . 31034 1 44 120 ASP . 31034 1 45 121 SER . 31034 1 46 122 GLY . 31034 1 47 123 GLU . 31034 1 48 124 VAL . 31034 1 49 125 GLU . 31034 1 50 126 LEU . 31034 1 51 127 SER . 31034 1 52 128 PRO . 31034 1 53 129 CYS . 31034 1 54 130 THR . 31034 1 55 131 THR . 31034 1 56 132 THR . 31034 1 57 133 ARG . 31034 1 58 134 ASN . 31034 1 59 135 THR . 31034 1 60 136 VAL . 31034 1 61 137 CYS . 31034 1 62 138 GLN . 31034 1 63 139 CYS . 31034 1 64 140 GLU . 31034 1 65 141 GLU . 31034 1 66 142 GLY . 31034 1 67 143 THR . 31034 1 68 144 PHE . 31034 1 69 145 ARG . 31034 1 70 146 GLU . 31034 1 71 147 GLU . 31034 1 72 148 ASP . 31034 1 73 149 SER . 31034 1 74 150 PRO . 31034 1 75 151 GLU . 31034 1 76 152 MET . 31034 1 77 153 CYS . 31034 1 78 154 ARG . 31034 1 79 155 LYS . 31034 1 80 156 CYS . 31034 1 81 157 ARG . 31034 1 82 158 THR . 31034 1 83 159 GLY . 31034 1 84 160 CYS . 31034 1 85 161 PRO . 31034 1 86 162 ARG . 31034 1 87 163 GLY . 31034 1 88 164 MET . 31034 1 89 165 VAL . 31034 1 90 166 LYS . 31034 1 91 167 VAL . 31034 1 92 168 GLY . 31034 1 93 169 ASP . 31034 1 94 170 CYS . 31034 1 95 171 THR . 31034 1 96 172 PRO . 31034 1 97 173 TRP . 31034 1 98 174 SER . 31034 1 99 175 ASP . 31034 1 100 176 ILE . 31034 1 101 177 GLU . 31034 1 102 178 CYS . 31034 1 103 179 VAL . 31034 1 104 180 HIS . 31034 1 105 181 LYS . 31034 1 106 182 GLU . 31034 1 107 183 SER . 31034 1 108 184 GLY . 31034 1 109 185 ASP . 31034 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 . SER 1 1 31034 1 . GLU 2 2 31034 1 . GLY 3 3 31034 1 . LEU 4 4 31034 1 . CYS 5 5 31034 1 . PRO 6 6 31034 1 . PRO 7 7 31034 1 . GLY 8 8 31034 1 . HIS 9 9 31034 1 . HIS 10 10 31034 1 . ILE 11 11 31034 1 . SER 12 12 31034 1 . GLU 13 13 31034 1 . ASP 14 14 31034 1 . GLY 15 15 31034 1 . ARG 16 16 31034 1 . ASP 17 17 31034 1 . CYS 18 18 31034 1 . ILE 19 19 31034 1 . SER 20 20 31034 1 . CYS 21 21 31034 1 . LYS 22 22 31034 1 . TYR 23 23 31034 1 . GLY 24 24 31034 1 . GLN 25 25 31034 1 . ASP 26 26 31034 1 . TYR 27 27 31034 1 . SER 28 28 31034 1 . THR 29 29 31034 1 . HIS 30 30 31034 1 . TRP 31 31 31034 1 . ASN 32 32 31034 1 . ASP 33 33 31034 1 . LEU 34 34 31034 1 . LEU 35 35 31034 1 . PHE 36 36 31034 1 . CYS 37 37 31034 1 . LEU 38 38 31034 1 . ARG 39 39 31034 1 . CYS 40 40 31034 1 . THR 41 41 31034 1 . ARG 42 42 31034 1 . CYS 43 43 31034 1 . ASP 44 44 31034 1 . SER 45 45 31034 1 . GLY 46 46 31034 1 . GLU 47 47 31034 1 . VAL 48 48 31034 1 . GLU 49 49 31034 1 . LEU 50 50 31034 1 . SER 51 51 31034 1 . PRO 52 52 31034 1 . CYS 53 53 31034 1 . THR 54 54 31034 1 . THR 55 55 31034 1 . THR 56 56 31034 1 . ARG 57 57 31034 1 . ASN 58 58 31034 1 . THR 59 59 31034 1 . VAL 60 60 31034 1 . CYS 61 61 31034 1 . GLN 62 62 31034 1 . CYS 63 63 31034 1 . GLU 64 64 31034 1 . GLU 65 65 31034 1 . GLY 66 66 31034 1 . THR 67 67 31034 1 . PHE 68 68 31034 1 . ARG 69 69 31034 1 . GLU 70 70 31034 1 . GLU 71 71 31034 1 . ASP 72 72 31034 1 . SER 73 73 31034 1 . PRO 74 74 31034 1 . GLU 75 75 31034 1 . MET 76 76 31034 1 . CYS 77 77 31034 1 . ARG 78 78 31034 1 . LYS 79 79 31034 1 . CYS 80 80 31034 1 . ARG 81 81 31034 1 . THR 82 82 31034 1 . GLY 83 83 31034 1 . CYS 84 84 31034 1 . PRO 85 85 31034 1 . ARG 86 86 31034 1 . GLY 87 87 31034 1 . MET 88 88 31034 1 . VAL 89 89 31034 1 . LYS 90 90 31034 1 . VAL 91 91 31034 1 . GLY 92 92 31034 1 . ASP 93 93 31034 1 . CYS 94 94 31034 1 . THR 95 95 31034 1 . PRO 96 96 31034 1 . TRP 97 97 31034 1 . SER 98 98 31034 1 . ASP 99 99 31034 1 . ILE 100 100 31034 1 . GLU 101 101 31034 1 . CYS 102 102 31034 1 . VAL 103 103 31034 1 . HIS 104 104 31034 1 . LYS 105 105 31034 1 . GLU 106 106 31034 1 . SER 107 107 31034 1 . GLY 108 108 31034 1 . ASP 109 109 31034 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 31034 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'TNFRSF10B, DR5, KILLER, TRAILR2, TRICK2, ZTNFR9, UNQ160/PRO186' . 31034 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 31034 _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 $entity_1 . 'recombinant technology' 'Komagataella pastoris' . . 4922 Komagataella pastoris X-33 . . . . . . . . . 31034 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31034 _Sample.ID 1 _Sample.Name . _Sample.Type bicelle _Sample.Sub_type . _Sample.Details '400 uM [U-100% 15N, U-100% 13C, U-85% 2H] DR5 ectodomain, 4.4 mM DGS-NTA (Ni), 44 mM DMPC, 88 mM D7PC, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DR5 ectodomain' '[U-100% 15N, U-100% 13C, U-85% 2H]' . . 1 $entity_1 . . 400 . . uM . . . . 31034 1 2 'DGS-NTA (Ni)' 'natural abundance' . . . . . . 4.4 . . mM . . . . 31034 1 3 DMPC 'natural abundance' . . . . . . 44 . . mM . . . . 31034 1 4 D7PC 'natural abundance' . . . . . . 88 . . mM . . . . 31034 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 31034 _Sample.ID 2 _Sample.Name . _Sample.Type bicelle _Sample.Sub_type . _Sample.Details '500 uM [U-100% 15N; U-100% 2H] DR5 ectodomain, 5.5 mM DGS-NTA (Ni), 55 mM DMPC, 110 mM D7PC, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DR5 ectodomain' '[U-100% 15N; U-100% 2H]' . . 1 $entity_1 . . 500 . . uM . . . . 31034 2 2 'DGS-NTA (Ni)' 'natural abundance' . . . . . . 5.5 . . mM . . . . 31034 2 3 DMPC 'natural abundance' . . . . . . 55 . . mM . . . . 31034 2 4 D7PC 'natural abundance' . . . . . . 110 . . mM . . . . 31034 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 31034 _Sample.ID 3 _Sample.Name . _Sample.Type bicelle _Sample.Sub_type . _Sample.Details ; 250 uM [U-100% 15N; U-100% 2H] Isotopically mixed DR5 ectodomain, 250 uM [U-100% 13C] DR5 ectodomain, 5.5 mM DGS-NTA (Ni), 55 mM DMPC, 110 mM D7PC, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DR5 ectodomain' '[U-100% 13C]' . . 1 $entity_1 . . 250 . . uM . . . . 31034 3 2 'DGS-NTA (Ni)' 'natural abundance' . . . . . . 5.5 . . mM . . . . 31034 3 3 DMPC 'natural abundance' . . . . . . 55 . . mM . . . . 31034 3 4 D7PC 'natural abundance' . . . . . . 110 . . mM . . . . 31034 3 5 'Isotopically mixed DR5 ectodomain' '[U-100% 15N; U-100% 2H]' . . 1 $entity_1 . . 250 . . uM . . . . 31034 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 31034 _Sample.ID 4 _Sample.Name . _Sample.Type bicelle _Sample.Sub_type . _Sample.Details ; 250 uM [U-100% 13C; U-100% 15N; U-95% 2H] Isotopically mixed DR5 ectodomain, 250 uM DR5 ectodomain, 5.5 mM DGS-NTA (Ni), 55 mM DMPC, 110 mM D7PC, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DR5 ectodomain' 'natural abundance' . . 1 $entity_1 . . 250 . . uM . . . . 31034 4 2 'DGS-NTA (Ni)' 'natural abundance' . . . . . . 5.5 . . mM . . . . 31034 4 3 DMPC 'natural abundance' . . . . . . 55 . . mM . . . . 31034 4 4 D7PC 'natural abundance' . . . . . . 110 . . mM . . . . 31034 4 5 'Isotopically mixed DR5 ectodomain' '[U-100% 13C; U-100% 15N; U-95% 2H]' . . 1 $entity_1 . . 250 . . uM . . . . 31034 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 31034 _Sample.ID 5 _Sample.Name . _Sample.Type bicelle _Sample.Sub_type . _Sample.Details '500 uM [U-100% 13C; U-100% 15N] DR5 ectodomain, 5.5 mM DGS-NTA (Ni), 55 mM DMPC, 110 mM D7PC, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DR5 ectodomain' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 500 . . uM . . . . 31034 5 2 'DGS-NTA (Ni)' 'natural abundance' . . . . . . 5.5 . . mM . . . . 31034 5 3 DMPC 'natural abundance' . . . . . . 55 . . mM . . . . 31034 5 4 D7PC 'natural abundance' . . . . . . 110 . . mM . . . . 31034 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 31034 _Sample.ID 6 _Sample.Name . _Sample.Type bicelle _Sample.Sub_type . _Sample.Details '400 uM [U-100% 15N, U-85% 2H] DR5 ectodomain, 4.4 mM DGS-NTA (Ni), 44 mM DMPC, 88 mM D7PC, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DR5 ectodomain' '[U-100% 15N, U-85% 2H]' . . 1 $entity_1 . . 400 . . uM . . . . 31034 6 2 'DGS-NTA (Ni)' 'natural abundance' . . . . . . 4.4 . . mM . . . . 31034 6 3 DMPC 'natural abundance' . . . . . . 44 . . mM . . . . 31034 6 4 D7PC 'natural abundance' . . . . . . 88 . . mM . . . . 31034 6 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 31034 _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 'ionic strength' 50 5 mM 31034 1 pH 7.2 0.1 pH 31034 1 pressure 1 0.005 atm 31034 1 temperature 310 1 K 31034 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31034 _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' . . 31034 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 31034 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31034 _Software.ID 2 _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.' . . 31034 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 31034 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31034 _Software.ID 3 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 'Version 2' _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Vranken et al' . . 31034 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 31034 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 31034 _Software.ID 4 _Software.Type . _Software.Name TALOS+ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Shen . . 31034 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 31034 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 31034 _Software.ID 5 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 31034 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 31034 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 31034 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 31034 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 31034 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details cryoprobe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 31034 _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 NMR_spectrometer_1 Bruker AVANCE . 600 . . . 31034 1 2 NMR_spectrometer_2 Bruker 'AVANCE NEO' . 700 . . . 31034 1 3 NMR_spectrometer_3 Bruker AVANCE . 800 . . . 31034 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 31034 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 11 . . . . . . . . . . . . . . . . . . 31034 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 11 . . . . . . . . . . . . . . . . . . 31034 1 3 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 11 . . . . . . . . . . . . . . . . . . 31034 1 4 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 11 . . . . . . . . . . . . . . . . . . 31034 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 11 . . . . . . . . . . . . . . . . . . 31034 1 6 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 11 . . . . . . . . . . . . . . . . . . 31034 1 7 '3D 1H-15N NOESY-TROSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 12 . . . . . . . . . . . . . . . . . . 31034 1 8 '3D HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 11 . . . . . . . . . . . . . . . . . . 31034 1 9 '3D 1H-15N NOESY-TROSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 14 . . . . . . . . . . . . . . . . . . 31034 1 10 '3D 1H-15N NOESY-TROSY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 14 . . . . . . . . . . . . . . . . . . 31034 1 11 '13C-filtered 1H-15N NOESY-TROSY' no . . . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 14 . . . . . . . . . . . . . . . . . . 31034 1 12 '2D 1H-13C HSQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 14 . . . . . . . . . . . . . . . . . . 31034 1 13 '3D 1H-15N NOESY-TROSY' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 12 . . . . . . . . . . . . . . . . . . 31034 1 14 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 12 . . . . . . . . . . . . . . . . . . 31034 1 15 '2D 1H-15N TROSY-HSQC' no . . . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 12 . . . . . . . . . . . . . . . . . . 31034 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 31034 _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 0.000 internal indirect 0.251449530 . . . . . 31034 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 31034 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 31034 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 31034 _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 $chem_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 TROSY-HSQC' . . . 31034 1 2 '3D HNCA' . . . 31034 1 3 '3D HN(CO)CA' . . . 31034 1 4 '3D HN(CA)CO' . . . 31034 1 5 '3D HNCO' . . . 31034 1 6 '3D HNCACB' . . . 31034 1 7 '3D 1H-15N NOESY-TROSY' . . . 31034 1 8 '3D HN(COCA)CB' . . . 31034 1 9 '3D 1H-15N NOESY-TROSY' . . . 31034 1 10 '3D 1H-15N NOESY-TROSY' . . . 31034 1 11 '13C-filtered 1H-15N NOESY-TROSY' . . . 31034 1 12 '2D 1H-13C HSQC' . . . 31034 1 13 '3D 1H-15N NOESY-TROSY' . . . 31034 1 14 '3D 1H-13C NOESY aliphatic' . . . 31034 1 15 '2D 1H-15N TROSY-HSQC' . . . 31034 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 1 1 SER HA H 1 4.52 0.020 . 1 . . . . A 77 SER HA . 31034 1 2 . 1 . 1 1 1 SER HB2 H 1 3.73 0.020 . . . . . . A 77 SER HB2 . 31034 1 3 . 1 . 1 1 1 SER HB3 H 1 3.73 0.020 . . . . . . A 77 SER HB3 . 31034 1 4 . 1 . 1 1 1 SER C C 13 176.42 0.050 . 1 . . . . A 77 SER C . 31034 1 5 . 1 . 1 1 1 SER CA C 13 56.62 0.050 . 1 . . . . A 77 SER CA . 31034 1 6 . 1 . 1 1 1 SER CB C 13 63.06 0.050 . 1 . . . . A 77 SER CB . 31034 1 7 . 1 . 1 1 1 SER N N 15 117.44 0.030 . 1 . . . . A 77 SER N . 31034 1 8 . 1 . 1 2 2 GLU CA C 13 56.49 0.050 . 1 . . . . A 78 GLU CA . 31034 1 9 . 1 . 1 2 2 GLU CB C 13 26.59 0.050 . 1 . . . . A 78 GLU CB . 31034 1 10 . 1 . 1 3 3 GLY H H 1 8.27 0.010 . 1 . . . . A 79 GLY H . 31034 1 11 . 1 . 1 3 3 GLY HA2 H 1 3.49 0.020 . . . . . . A 79 GLY HA2 . 31034 1 12 . 1 . 1 3 3 GLY HA3 H 1 3.49 0.020 . . . . . . A 79 GLY HA3 . 31034 1 13 . 1 . 1 3 3 GLY C C 13 172.70 0.050 . 1 . . . . A 79 GLY C . 31034 1 14 . 1 . 1 3 3 GLY CA C 13 44.33 0.050 . 1 . . . . A 79 GLY CA . 31034 1 15 . 1 . 1 3 3 GLY N N 15 103.09 0.030 . 1 . . . . A 79 GLY N . 31034 1 16 . 1 . 1 4 4 LEU H H 1 7.45 0.010 . 1 . . . . A 80 LEU H . 31034 1 17 . 1 . 1 4 4 LEU HA H 1 4.83 0.020 . 1 . . . . A 80 LEU HA . 31034 1 18 . 1 . 1 4 4 LEU HB2 H 1 1.58 0.020 . . . . . . A 80 LEU HB2 . 31034 1 19 . 1 . 1 4 4 LEU HB3 H 1 1.58 0.020 . . . . . . A 80 LEU HB3 . 31034 1 20 . 1 . 1 4 4 LEU HD11 H 1 0.83 0.010 . . . . . . A 80 LEU HD11 . 31034 1 21 . 1 . 1 4 4 LEU HD12 H 1 0.83 0.010 . . . . . . A 80 LEU HD12 . 31034 1 22 . 1 . 1 4 4 LEU HD13 H 1 0.83 0.010 . . . . . . A 80 LEU HD13 . 31034 1 23 . 1 . 1 4 4 LEU HD21 H 1 0.74 0.010 . . . . . . A 80 LEU HD21 . 31034 1 24 . 1 . 1 4 4 LEU HD22 H 1 0.74 0.010 . . . . . . A 80 LEU HD22 . 31034 1 25 . 1 . 1 4 4 LEU HD23 H 1 0.74 0.010 . . . . . . A 80 LEU HD23 . 31034 1 26 . 1 . 1 4 4 LEU C C 13 176.23 0.050 . 1 . . . . A 80 LEU C . 31034 1 27 . 1 . 1 4 4 LEU CA C 13 52.53 0.050 . 1 . . . . A 80 LEU CA . 31034 1 28 . 1 . 1 4 4 LEU CB C 13 45.42 0.050 . 1 . . . . A 80 LEU CB . 31034 1 29 . 1 . 1 4 4 LEU CD1 C 13 26.04 0.020 . . . . . . A 80 LEU CD1 . 31034 1 30 . 1 . 1 4 4 LEU CD2 C 13 23.44 0.020 . . . . . . A 80 LEU CD2 . 31034 1 31 . 1 . 1 4 4 LEU N N 15 116.89 0.030 . 1 . . . . A 80 LEU N . 31034 1 32 . 1 . 1 5 5 CYS H H 1 9.51 0.010 . 1 . . . . A 81 CYS H . 31034 1 33 . 1 . 1 5 5 CYS C C 13 180.71 0.050 . 1 . . . . A 81 CYS C . 31034 1 34 . 1 . 1 5 5 CYS CA C 13 51.85 0.050 . 1 . . . . A 81 CYS CA . 31034 1 35 . 1 . 1 5 5 CYS CB C 13 38.45 0.050 . 1 . . . . A 81 CYS CB . 31034 1 36 . 1 . 1 5 5 CYS N N 15 118.86 0.030 . 1 . . . . A 81 CYS N . 31034 1 37 . 1 . 1 7 7 PRO HA H 1 3.70 0.020 . 1 . . . . A 83 PRO HA . 31034 1 38 . 1 . 1 7 7 PRO C C 13 178.28 0.050 . 1 . . . . A 83 PRO C . 31034 1 39 . 1 . 1 7 7 PRO CA C 13 62.53 0.050 . 1 . . . . A 83 PRO CA . 31034 1 40 . 1 . 1 7 7 PRO CB C 13 30.58 0.050 . 1 . . . . A 83 PRO CB . 31034 1 41 . 1 . 1 8 8 GLY H H 1 9.08 0.010 . 1 . . . . A 84 GLY H . 31034 1 42 . 1 . 1 8 8 GLY HA2 H 1 3.79 0.020 . . . . . . A 84 GLY HA2 . 31034 1 43 . 1 . 1 8 8 GLY HA3 H 1 3.79 0.020 . . . . . . A 84 GLY HA3 . 31034 1 44 . 1 . 1 8 8 GLY C C 13 174.10 0.050 . 1 . . . . A 84 GLY C . 31034 1 45 . 1 . 1 8 8 GLY CA C 13 44.51 0.050 . 1 . . . . A 84 GLY CA . 31034 1 46 . 1 . 1 8 8 GLY N N 15 116.79 0.030 . 1 . . . . A 84 GLY N . 31034 1 47 . 1 . 1 9 9 HIS H H 1 7.80 0.010 . 1 . . . . A 85 HIS H . 31034 1 48 . 1 . 1 9 9 HIS HA H 1 5.14 0.020 . 1 . . . . A 85 HIS HA . 31034 1 49 . 1 . 1 9 9 HIS HB2 H 1 2.93 0.020 . . . . . . A 85 HIS HB2 . 31034 1 50 . 1 . 1 9 9 HIS HB3 H 1 2.93 0.020 . . . . . . A 85 HIS HB3 . 31034 1 51 . 1 . 1 9 9 HIS C C 13 173.01 0.050 . 1 . . . . A 85 HIS C . 31034 1 52 . 1 . 1 9 9 HIS CA C 13 54.96 0.050 . 1 . . . . A 85 HIS CA . 31034 1 53 . 1 . 1 9 9 HIS CB C 13 32.48 0.050 . 1 . . . . A 85 HIS CB . 31034 1 54 . 1 . 1 9 9 HIS N N 15 119.85 0.030 . 1 . . . . A 85 HIS N . 31034 1 55 . 1 . 1 10 10 HIS H H 1 9.00 0.010 . 1 . . . . A 86 HIS H . 31034 1 56 . 1 . 1 10 10 HIS HA H 1 5.26 0.020 . 1 . . . . A 86 HIS HA . 31034 1 57 . 1 . 1 10 10 HIS HB2 H 1 2.58 0.020 . . . . . . A 86 HIS HB2 . 31034 1 58 . 1 . 1 10 10 HIS HB3 H 1 2.58 0.020 . . . . . . A 86 HIS HB3 . 31034 1 59 . 1 . 1 10 10 HIS C C 13 172.19 0.050 . 1 . . . . A 86 HIS C . 31034 1 60 . 1 . 1 10 10 HIS CA C 13 53.63 0.050 . 1 . . . . A 86 HIS CA . 31034 1 61 . 1 . 1 10 10 HIS CB C 13 29.94 0.050 . 1 . . . . A 86 HIS CB . 31034 1 62 . 1 . 1 10 10 HIS N N 15 117.44 0.030 . 1 . . . . A 86 HIS N . 31034 1 63 . 1 . 1 11 11 ILE H H 1 8.68 0.010 . 1 . . . . A 87 ILE H . 31034 1 64 . 1 . 1 11 11 ILE HA H 1 5.23 0.020 . 1 . . . . A 87 ILE HA . 31034 1 65 . 1 . 1 11 11 ILE HG21 H 1 0.73 0.020 . 1 . . . . A 87 ILE HG21 . 31034 1 66 . 1 . 1 11 11 ILE HG22 H 1 0.73 0.020 . 1 . . . . A 87 ILE HG22 . 31034 1 67 . 1 . 1 11 11 ILE HG23 H 1 0.73 0.020 . 1 . . . . A 87 ILE HG23 . 31034 1 68 . 1 . 1 11 11 ILE HD11 H 1 0.82 0.020 . 1 . . . . A 87 ILE HD11 . 31034 1 69 . 1 . 1 11 11 ILE HD12 H 1 0.82 0.020 . 1 . . . . A 87 ILE HD12 . 31034 1 70 . 1 . 1 11 11 ILE HD13 H 1 0.82 0.020 . 1 . . . . A 87 ILE HD13 . 31034 1 71 . 1 . 1 11 11 ILE C C 13 175.53 0.050 . 1 . . . . A 87 ILE C . 31034 1 72 . 1 . 1 11 11 ILE CA C 13 60.90 0.050 . 1 . . . . A 87 ILE CA . 31034 1 73 . 1 . 1 11 11 ILE CB C 13 42.25 0.050 . 1 . . . . A 87 ILE CB . 31034 1 74 . 1 . 1 11 11 ILE CG2 C 13 15.82 0.020 . 1 . . . . A 87 ILE CG2 . 31034 1 75 . 1 . 1 11 11 ILE CD1 C 13 14.68 0.020 . 1 . . . . A 87 ILE CD1 . 31034 1 76 . 1 . 1 11 11 ILE N N 15 123.68 0.030 . 1 . . . . A 87 ILE N . 31034 1 77 . 1 . 1 12 12 SER H H 1 8.36 0.010 . 1 . . . . A 88 SER H . 31034 1 78 . 1 . 1 12 12 SER HA H 1 4.60 0.020 . 1 . . . . A 88 SER HA . 31034 1 79 . 1 . 1 12 12 SER C C 13 176.31 0.050 . 1 . . . . A 88 SER C . 31034 1 80 . 1 . 1 12 12 SER CA C 13 57.57 0.050 . 1 . . . . A 88 SER CA . 31034 1 81 . 1 . 1 12 12 SER CB C 13 64.04 0.050 . 1 . . . . A 88 SER CB . 31034 1 82 . 1 . 1 12 12 SER N N 15 121.16 0.030 . 1 . . . . A 88 SER N . 31034 1 83 . 1 . 1 13 13 GLU H H 1 9.10 0.010 . 1 . . . . A 89 GLU H . 31034 1 84 . 1 . 1 13 13 GLU HA H 1 3.97 0.020 . 1 . . . . A 89 GLU HA . 31034 1 85 . 1 . 1 13 13 GLU HB2 H 1 2.07 0.020 . . . . . . A 89 GLU HB2 . 31034 1 86 . 1 . 1 13 13 GLU HB3 H 1 2.07 0.020 . . . . . . A 89 GLU HB3 . 31034 1 87 . 1 . 1 13 13 GLU HG2 H 1 2.55 0.020 . . . . . . A 89 GLU HG2 . 31034 1 88 . 1 . 1 13 13 GLU HG3 H 1 2.55 0.020 . . . . . . A 89 GLU HG3 . 31034 1 89 . 1 . 1 13 13 GLU C C 13 177.23 0.050 . 1 . . . . A 89 GLU C . 31034 1 90 . 1 . 1 13 13 GLU CA C 13 59.31 0.050 . 1 . . . . A 89 GLU CA . 31034 1 91 . 1 . 1 13 13 GLU CB C 13 28.85 0.050 . 1 . . . . A 89 GLU CB . 31034 1 92 . 1 . 1 13 13 GLU CG C 13 33.96 0.020 . 1 . . . . A 89 GLU CG . 31034 1 93 . 1 . 1 13 13 GLU N N 15 122.36 0.030 . 1 . . . . A 89 GLU N . 31034 1 94 . 1 . 1 14 14 ASP H H 1 7.94 0.010 . 1 . . . . A 90 ASP H . 31034 1 95 . 1 . 1 14 14 ASP HA H 1 4.52 0.020 . 1 . . . . A 90 ASP HA . 31034 1 96 . 1 . 1 14 14 ASP HB2 H 1 3.03 0.020 . . . . . . A 90 ASP HB2 . 31034 1 97 . 1 . 1 14 14 ASP HB3 H 1 2.58 0.020 . . . . . . A 90 ASP HB3 . 31034 1 98 . 1 . 1 14 14 ASP C C 13 177.40 0.050 . 1 . . . . A 90 ASP C . 31034 1 99 . 1 . 1 14 14 ASP CA C 13 52.57 0.050 . 1 . . . . A 90 ASP CA . 31034 1 100 . 1 . 1 14 14 ASP CB C 13 39.81 0.050 . 1 . . . . A 90 ASP CB . 31034 1 101 . 1 . 1 14 14 ASP N N 15 114.38 0.030 . 1 . . . . A 90 ASP N . 31034 1 102 . 1 . 1 15 15 GLY H H 1 7.87 0.010 . 1 . . . . A 91 GLY H . 31034 1 103 . 1 . 1 15 15 GLY HA2 H 1 3.59 0.020 . . . . . . A 91 GLY HA2 . 31034 1 104 . 1 . 1 15 15 GLY HA3 H 1 4.05 0.020 . . . . . . A 91 GLY HA3 . 31034 1 105 . 1 . 1 15 15 GLY C C 13 174.21 0.050 . 1 . . . . A 91 GLY C . 31034 1 106 . 1 . 1 15 15 GLY CA C 13 45.15 0.050 . 1 . . . . A 91 GLY CA . 31034 1 107 . 1 . 1 15 15 GLY N N 15 109.13 0.030 . 1 . . . . A 91 GLY N . 31034 1 108 . 1 . 1 16 16 ARG H H 1 7.66 0.010 . 1 . . . . A 92 ARG H . 31034 1 109 . 1 . 1 16 16 ARG HA H 1 4.20 0.020 . 1 . . . . A 92 ARG HA . 31034 1 110 . 1 . 1 16 16 ARG C C 13 175.58 0.050 . 1 . . . . A 92 ARG C . 31034 1 111 . 1 . 1 16 16 ARG CA C 13 56.66 0.050 . 1 . . . . A 92 ARG CA . 31034 1 112 . 1 . 1 16 16 ARG CB C 13 30.85 0.050 . 1 . . . . A 92 ARG CB . 31034 1 113 . 1 . 1 16 16 ARG CD C 13 43.29 0.020 . 1 . . . . A 92 ARG CD . 31034 1 114 . 1 . 1 16 16 ARG N N 15 116.68 0.030 . 1 . . . . A 92 ARG N . 31034 1 115 . 1 . 1 17 17 ASP H H 1 8.08 0.010 . 1 . . . . A 93 ASP H . 31034 1 116 . 1 . 1 17 17 ASP HA H 1 5.16 0.020 . 1 . . . . A 93 ASP HA . 31034 1 117 . 1 . 1 17 17 ASP HB2 H 1 2.37 0.020 . . . . . . A 93 ASP HB2 . 31034 1 118 . 1 . 1 17 17 ASP HB3 H 1 2.37 0.020 . . . . . . A 93 ASP HB3 . 31034 1 119 . 1 . 1 17 17 ASP C C 13 173.76 0.050 . 1 . . . . A 93 ASP C . 31034 1 120 . 1 . 1 17 17 ASP CA C 13 52.69 0.050 . 1 . . . . A 93 ASP CA . 31034 1 121 . 1 . 1 17 17 ASP CB C 13 44.97 0.050 . 1 . . . . A 93 ASP CB . 31034 1 122 . 1 . 1 17 17 ASP N N 15 118.43 0.030 . 1 . . . . A 93 ASP N . 31034 1 123 . 1 . 1 18 18 CYS H H 1 8.38 0.010 . 1 . . . . A 94 CYS H . 31034 1 124 . 1 . 1 18 18 CYS HA H 1 5.25 0.020 . 1 . . . . A 94 CYS HA . 31034 1 125 . 1 . 1 18 18 CYS HB2 H 1 2.76 0.020 . . . . . . A 94 CYS HB2 . 31034 1 126 . 1 . 1 18 18 CYS HB3 H 1 2.76 0.020 . . . . . . A 94 CYS HB3 . 31034 1 127 . 1 . 1 18 18 CYS C C 13 173.51 0.050 . 1 . . . . A 94 CYS C . 31034 1 128 . 1 . 1 18 18 CYS CA C 13 52.83 0.050 . 1 . . . . A 94 CYS CA . 31034 1 129 . 1 . 1 18 18 CYS CB C 13 38.45 0.050 . 1 . . . . A 94 CYS CB . 31034 1 130 . 1 . 1 18 18 CYS N N 15 117.55 0.030 . 1 . . . . A 94 CYS N . 31034 1 131 . 1 . 1 19 19 ILE H H 1 8.96 0.010 . 1 . . . . A 95 ILE H . 31034 1 132 . 1 . 1 19 19 ILE HA H 1 4.10 0.020 . 1 . . . . A 95 ILE HA . 31034 1 133 . 1 . 1 19 19 ILE HG21 H 1 0.86 0.020 . 1 . . . . A 95 ILE HG21 . 31034 1 134 . 1 . 1 19 19 ILE HG22 H 1 0.86 0.020 . 1 . . . . A 95 ILE HG22 . 31034 1 135 . 1 . 1 19 19 ILE HG23 H 1 0.86 0.020 . 1 . . . . A 95 ILE HG23 . 31034 1 136 . 1 . 1 19 19 ILE HD11 H 1 0.69 0.020 . 1 . . . . A 95 ILE HD11 . 31034 1 137 . 1 . 1 19 19 ILE HD12 H 1 0.69 0.020 . 1 . . . . A 95 ILE HD12 . 31034 1 138 . 1 . 1 19 19 ILE HD13 H 1 0.69 0.020 . 1 . . . . A 95 ILE HD13 . 31034 1 139 . 1 . 1 19 19 ILE C C 13 175.09 0.050 . 1 . . . . A 95 ILE C . 31034 1 140 . 1 . 1 19 19 ILE CA C 13 58.74 0.050 . 1 . . . . A 95 ILE CA . 31034 1 141 . 1 . 1 19 19 ILE CB C 13 38.94 0.050 . 1 . . . . A 95 ILE CB . 31034 1 142 . 1 . 1 19 19 ILE CG2 C 13 17.32 0.020 . 1 . . . . A 95 ILE CG2 . 31034 1 143 . 1 . 1 19 19 ILE CD1 C 13 12.95 0.020 . 1 . . . . A 95 ILE CD1 . 31034 1 144 . 1 . 1 19 19 ILE N N 15 127.50 0.030 . 1 . . . . A 95 ILE N . 31034 1 145 . 1 . 1 20 20 SER H H 1 8.66 0.010 . 1 . . . . A 96 SER H . 31034 1 146 . 1 . 1 20 20 SER HA H 1 3.83 0.020 . 1 . . . . A 96 SER HA . 31034 1 147 . 1 . 1 20 20 SER HB2 H 1 3.63 0.020 . . . . . . A 96 SER HB2 . 31034 1 148 . 1 . 1 20 20 SER HB3 H 1 3.63 0.020 . . . . . . A 96 SER HB3 . 31034 1 149 . 1 . 1 20 20 SER C C 13 176.48 0.050 . 1 . . . . A 96 SER C . 31034 1 150 . 1 . 1 20 20 SER CA C 13 58.96 0.050 . 1 . . . . A 96 SER CA . 31034 1 151 . 1 . 1 20 20 SER CB C 13 62.61 0.050 . 1 . . . . A 96 SER CB . 31034 1 152 . 1 . 1 20 20 SER N N 15 120.83 0.030 . 1 . . . . A 96 SER N . 31034 1 153 . 1 . 1 21 21 CYS H H 1 8.50 0.010 . 1 . . . . A 97 CYS H . 31034 1 154 . 1 . 1 21 21 CYS HA H 1 4.68 0.020 . 1 . . . . A 97 CYS HA . 31034 1 155 . 1 . 1 21 21 CYS C C 13 173.80 0.050 . 1 . . . . A 97 CYS C . 31034 1 156 . 1 . 1 21 21 CYS CA C 13 53.25 0.050 . 1 . . . . A 97 CYS CA . 31034 1 157 . 1 . 1 21 21 CYS CB C 13 36.73 0.050 . 1 . . . . A 97 CYS CB . 31034 1 158 . 1 . 1 21 21 CYS N N 15 125.32 0.030 . 1 . . . . A 97 CYS N . 31034 1 159 . 1 . 1 22 22 LYS H H 1 9.95 0.010 . 1 . . . . A 98 LYS H . 31034 1 160 . 1 . 1 22 22 LYS HA H 1 4.37 0.020 . 1 . . . . A 98 LYS HA . 31034 1 161 . 1 . 1 22 22 LYS HB2 H 1 1.71 0.020 . . . . . . A 98 LYS HB2 . 31034 1 162 . 1 . 1 22 22 LYS HB3 H 1 1.71 0.020 . . . . . . A 98 LYS HB3 . 31034 1 163 . 1 . 1 22 22 LYS HG2 H 1 1.41 0.020 . . . . . . A 98 LYS HG2 . 31034 1 164 . 1 . 1 22 22 LYS HG3 H 1 1.41 0.020 . . . . . . A 98 LYS HG3 . 31034 1 165 . 1 . 1 22 22 LYS C C 13 175.31 0.050 . 1 . . . . A 98 LYS C . 31034 1 166 . 1 . 1 22 22 LYS CA C 13 55.19 0.050 . 1 . . . . A 98 LYS CA . 31034 1 167 . 1 . 1 22 22 LYS CB C 13 32.12 0.050 . 1 . . . . A 98 LYS CB . 31034 1 168 . 1 . 1 22 22 LYS CG C 13 24.94 0.020 . 1 . . . . A 98 LYS CG . 31034 1 169 . 1 . 1 22 22 LYS CD C 13 28.98 0.020 . 1 . . . . A 98 LYS CD . 31034 1 170 . 1 . 1 22 22 LYS CE C 13 42.29 0.020 . 1 . . . . A 98 LYS CE . 31034 1 171 . 1 . 1 22 22 LYS N N 15 125.10 0.030 . 1 . . . . A 98 LYS N . 31034 1 172 . 1 . 1 23 23 TYR H H 1 8.70 0.010 . 1 . . . . A 99 TYR H . 31034 1 173 . 1 . 1 23 23 TYR HA H 1 4.61 0.020 . 1 . . . . A 99 TYR HA . 31034 1 174 . 1 . 1 23 23 TYR HB2 H 1 2.96 0.020 . . . . . . A 99 TYR HB2 . 31034 1 175 . 1 . 1 23 23 TYR HB3 H 1 2.96 0.020 . . . . . . A 99 TYR HB3 . 31034 1 176 . 1 . 1 23 23 TYR C C 13 177.02 0.050 . 1 . . . . A 99 TYR C . 31034 1 177 . 1 . 1 23 23 TYR CA C 13 60.07 0.050 . 1 . . . . A 99 TYR CA . 31034 1 178 . 1 . 1 23 23 TYR CB C 13 37.45 0.050 . 1 . . . . A 99 TYR CB . 31034 1 179 . 1 . 1 23 23 TYR N N 15 129.91 0.030 . 1 . . . . A 99 TYR N . 31034 1 180 . 1 . 1 24 24 GLY H H 1 9.30 0.010 . 1 . . . . A 100 GLY H . 31034 1 181 . 1 . 1 24 24 GLY HA2 H 1 4.02 0.020 . . . . . . A 100 GLY HA2 . 31034 1 182 . 1 . 1 24 24 GLY HA3 H 1 4.02 0.020 . . . . . . A 100 GLY HA3 . 31034 1 183 . 1 . 1 24 24 GLY C C 13 172.94 0.050 . 1 . . . . A 100 GLY C . 31034 1 184 . 1 . 1 24 24 GLY CA C 13 44.85 0.050 . 1 . . . . A 100 GLY CA . 31034 1 185 . 1 . 1 24 24 GLY N N 15 120.61 0.030 . 1 . . . . A 100 GLY N . 31034 1 186 . 1 . 1 25 25 GLN H H 1 8.44 0.010 . 1 . . . . A 101 GLN H . 31034 1 187 . 1 . 1 25 25 GLN HA H 1 4.45 0.020 . 1 . . . . A 101 GLN HA . 31034 1 188 . 1 . 1 25 25 GLN HB2 H 1 1.70 0.020 . . . . . . A 101 GLN HB2 . 31034 1 189 . 1 . 1 25 25 GLN HB3 H 1 1.70 0.020 . . . . . . A 101 GLN HB3 . 31034 1 190 . 1 . 1 25 25 GLN C C 13 175.34 0.050 . 1 . . . . A 101 GLN C . 31034 1 191 . 1 . 1 25 25 GLN CA C 13 56.36 0.050 . 1 . . . . A 101 GLN CA . 31034 1 192 . 1 . 1 25 25 GLN CB C 13 31.21 0.050 . 1 . . . . A 101 GLN CB . 31034 1 193 . 1 . 1 25 25 GLN N N 15 120.94 0.030 . 1 . . . . A 101 GLN N . 31034 1 194 . 1 . 1 26 26 ASP H H 1 8.88 0.010 . 1 . . . . A 102 ASP H . 31034 1 195 . 1 . 1 26 26 ASP HA H 1 5.26 0.020 . 1 . . . . A 102 ASP HA . 31034 1 196 . 1 . 1 26 26 ASP C C 13 173.85 0.050 . 1 . . . . A 102 ASP C . 31034 1 197 . 1 . 1 26 26 ASP CA C 13 54.03 0.050 . 1 . . . . A 102 ASP CA . 31034 1 198 . 1 . 1 26 26 ASP CB C 13 43.62 0.050 . 1 . . . . A 102 ASP CB . 31034 1 199 . 1 . 1 26 26 ASP N N 15 122.25 0.030 . 1 . . . . A 102 ASP N . 31034 1 200 . 1 . 1 27 27 TYR H H 1 9.11 0.010 . 1 . . . . A 103 TYR H . 31034 1 201 . 1 . 1 27 27 TYR HA H 1 4.43 0.020 . 1 . . . . A 103 TYR HA . 31034 1 202 . 1 . 1 27 27 TYR C C 13 174.23 0.050 . 1 . . . . A 103 TYR C . 31034 1 203 . 1 . 1 27 27 TYR CA C 13 57.19 0.050 . 1 . . . . A 103 TYR CA . 31034 1 204 . 1 . 1 27 27 TYR CB C 13 43.52 0.050 . 1 . . . . A 103 TYR CB . 31034 1 205 . 1 . 1 27 27 TYR N N 15 115.04 0.030 . 1 . . . . A 103 TYR N . 31034 1 206 . 1 . 1 28 28 SER H H 1 8.37 0.010 . 1 . . . . A 104 SER H . 31034 1 207 . 1 . 1 28 28 SER HA H 1 4.45 0.020 . 1 . . . . A 104 SER HA . 31034 1 208 . 1 . 1 28 28 SER HB2 H 1 4.37 0.020 . . . . . . A 104 SER HB2 . 31034 1 209 . 1 . 1 28 28 SER HB3 H 1 4.37 0.020 . . . . . . A 104 SER HB3 . 31034 1 210 . 1 . 1 28 28 SER C C 13 175.76 0.050 . 1 . . . . A 104 SER C . 31034 1 211 . 1 . 1 28 28 SER CA C 13 57.72 0.050 . 1 . . . . A 104 SER CA . 31034 1 212 . 1 . 1 28 28 SER CB C 13 64.28 0.050 . 1 . . . . A 104 SER CB . 31034 1 213 . 1 . 1 28 28 SER N N 15 112.08 0.030 . 1 . . . . A 104 SER N . 31034 1 214 . 1 . 1 29 29 THR H H 1 8.83 0.010 . 1 . . . . A 105 THR H . 31034 1 215 . 1 . 1 29 29 THR HA H 1 4.38 0.020 . 1 . . . . A 105 THR HA . 31034 1 216 . 1 . 1 29 29 THR HG21 H 1 1.40 0.020 . 1 . . . . A 105 THR HG21 . 31034 1 217 . 1 . 1 29 29 THR HG22 H 1 1.40 0.020 . 1 . . . . A 105 THR HG22 . 31034 1 218 . 1 . 1 29 29 THR HG23 H 1 1.40 0.020 . 1 . . . . A 105 THR HG23 . 31034 1 219 . 1 . 1 29 29 THR C C 13 174.54 0.050 . 1 . . . . A 105 THR C . 31034 1 220 . 1 . 1 29 29 THR CA C 13 62.95 0.050 . 1 . . . . A 105 THR CA . 31034 1 221 . 1 . 1 29 29 THR CB C 13 69.94 0.050 . 1 . . . . A 105 THR CB . 31034 1 222 . 1 . 1 29 29 THR CG2 C 13 22.42 0.020 . 1 . . . . A 105 THR CG2 . 31034 1 223 . 1 . 1 29 29 THR N N 15 116.35 0.030 . 1 . . . . A 105 THR N . 31034 1 224 . 1 . 1 30 30 HIS H H 1 7.89 0.010 . 1 . . . . A 106 HIS H . 31034 1 225 . 1 . 1 30 30 HIS HA H 1 5.16 0.020 . 1 . . . . A 106 HIS HA . 31034 1 226 . 1 . 1 30 30 HIS C C 13 175.02 0.050 . 1 . . . . A 106 HIS C . 31034 1 227 . 1 . 1 30 30 HIS CA C 13 54.77 0.050 . 1 . . . . A 106 HIS CA . 31034 1 228 . 1 . 1 30 30 HIS CB C 13 33.28 0.050 . 1 . . . . A 106 HIS CB . 31034 1 229 . 1 . 1 30 30 HIS N N 15 119.63 0.030 . 1 . . . . A 106 HIS N . 31034 1 230 . 1 . 1 31 31 TRP H H 1 8.69 0.010 . 1 . . . . A 107 TRP H . 31034 1 231 . 1 . 1 31 31 TRP HA H 1 5.05 0.020 . 1 . . . . A 107 TRP HA . 31034 1 232 . 1 . 1 31 31 TRP HB2 H 1 3.11 0.020 . . . . . . A 107 TRP HB2 . 31034 1 233 . 1 . 1 31 31 TRP HB3 H 1 3.11 0.020 . . . . . . A 107 TRP HB3 . 31034 1 234 . 1 . 1 31 31 TRP HE1 H 1 10.20 0.020 . 1 . . . . A 107 TRP HE1 . 31034 1 235 . 1 . 1 31 31 TRP C C 13 178.78 0.050 . 1 . . . . A 107 TRP C . 31034 1 236 . 1 . 1 31 31 TRP CA C 13 58.59 0.050 . 1 . . . . A 107 TRP CA . 31034 1 237 . 1 . 1 31 31 TRP CB C 13 27.41 0.050 . 1 . . . . A 107 TRP CB . 31034 1 238 . 1 . 1 31 31 TRP N N 15 123.35 0.030 . 1 . . . . A 107 TRP N . 31034 1 239 . 1 . 1 31 31 TRP NE1 N 15 131.16 0.030 . 1 . . . . A 107 TRP NE1 . 31034 1 240 . 1 . 1 32 32 ASN H H 1 9.71 0.010 . 1 . . . . A 108 ASN H . 31034 1 241 . 1 . 1 32 32 ASN HA H 1 5.29 0.020 . 1 . . . . A 108 ASN HA . 31034 1 242 . 1 . 1 32 32 ASN C C 13 172.19 0.050 . 1 . . . . A 108 ASN C . 31034 1 243 . 1 . 1 32 32 ASN CA C 13 54.12 0.050 . 1 . . . . A 108 ASN CA . 31034 1 244 . 1 . 1 32 32 ASN CB C 13 44.33 0.050 . 1 . . . . A 108 ASN CB . 31034 1 245 . 1 . 1 32 32 ASN N N 15 122.14 0.030 . 1 . . . . A 108 ASN N . 31034 1 246 . 1 . 1 33 33 ASP H H 1 8.35 0.010 . 1 . . . . A 109 ASP H . 31034 1 247 . 1 . 1 33 33 ASP HB2 H 1 2.65 0.020 . . . . . . A 109 ASP HB2 . 31034 1 248 . 1 . 1 33 33 ASP HB3 H 1 2.40 0.020 . . . . . . A 109 ASP HB3 . 31034 1 249 . 1 . 1 33 33 ASP C C 13 176.17 0.050 . 1 . . . . A 109 ASP C . 31034 1 250 . 1 . 1 33 33 ASP CA C 13 51.29 0.050 . 1 . . . . A 109 ASP CA . 31034 1 251 . 1 . 1 33 33 ASP CB C 13 38.81 0.050 . 1 . . . . A 109 ASP CB . 31034 1 252 . 1 . 1 33 33 ASP N N 15 122.04 0.030 . 1 . . . . A 109 ASP N . 31034 1 253 . 1 . 1 34 34 LEU H H 1 8.93 0.010 . 1 . . . . A 110 LEU H . 31034 1 254 . 1 . 1 34 34 LEU HA H 1 4.26 0.020 . 1 . . . . A 110 LEU HA . 31034 1 255 . 1 . 1 34 34 LEU HB2 H 1 1.70 0.020 . . . . . . A 110 LEU HB2 . 31034 1 256 . 1 . 1 34 34 LEU HB3 H 1 1.70 0.020 . . . . . . A 110 LEU HB3 . 31034 1 257 . 1 . 1 34 34 LEU HD11 H 1 0.83 0.010 . . . . . . A 110 LEU HD11 . 31034 1 258 . 1 . 1 34 34 LEU HD12 H 1 0.83 0.010 . . . . . . A 110 LEU HD12 . 31034 1 259 . 1 . 1 34 34 LEU HD13 H 1 0.83 0.010 . . . . . . A 110 LEU HD13 . 31034 1 260 . 1 . 1 34 34 LEU HD21 H 1 0.86 0.010 . . . . . . A 110 LEU HD21 . 31034 1 261 . 1 . 1 34 34 LEU HD22 H 1 0.86 0.010 . . . . . . A 110 LEU HD22 . 31034 1 262 . 1 . 1 34 34 LEU HD23 H 1 0.86 0.010 . . . . . . A 110 LEU HD23 . 31034 1 263 . 1 . 1 34 34 LEU C C 13 177.96 0.050 . 1 . . . . A 110 LEU C . 31034 1 264 . 1 . 1 34 34 LEU CA C 13 54.47 0.050 . 1 . . . . A 110 LEU CA . 31034 1 265 . 1 . 1 34 34 LEU CB C 13 41.89 0.050 . 1 . . . . A 110 LEU CB . 31034 1 266 . 1 . 1 34 34 LEU CD1 C 13 25.05 0.020 . . . . . . A 110 LEU CD1 . 31034 1 267 . 1 . 1 34 34 LEU CD2 C 13 22.85 0.020 . . . . . . A 110 LEU CD2 . 31034 1 268 . 1 . 1 34 34 LEU N N 15 122.14 0.030 . 1 . . . . A 110 LEU N . 31034 1 269 . 1 . 1 35 35 LEU H H 1 8.08 0.010 . 1 . . . . A 111 LEU H . 31034 1 270 . 1 . 1 35 35 LEU HA H 1 4.38 0.020 . 1 . . . . A 111 LEU HA . 31034 1 271 . 1 . 1 35 35 LEU HB2 H 1 1.50 0.020 . . . . . . A 111 LEU HB2 . 31034 1 272 . 1 . 1 35 35 LEU HB3 H 1 1.50 0.020 . . . . . . A 111 LEU HB3 . 31034 1 273 . 1 . 1 35 35 LEU HD11 H 1 0.93 0.010 . . . . . . A 111 LEU HD11 . 31034 1 274 . 1 . 1 35 35 LEU HD12 H 1 0.93 0.010 . . . . . . A 111 LEU HD12 . 31034 1 275 . 1 . 1 35 35 LEU HD13 H 1 0.93 0.010 . . . . . . A 111 LEU HD13 . 31034 1 276 . 1 . 1 35 35 LEU HD21 H 1 0.76 0.010 . . . . . . A 111 LEU HD21 . 31034 1 277 . 1 . 1 35 35 LEU HD22 H 1 0.76 0.010 . . . . . . A 111 LEU HD22 . 31034 1 278 . 1 . 1 35 35 LEU HD23 H 1 0.76 0.010 . . . . . . A 111 LEU HD23 . 31034 1 279 . 1 . 1 35 35 LEU C C 13 175.19 0.050 . 1 . . . . A 111 LEU C . 31034 1 280 . 1 . 1 35 35 LEU CA C 13 54.65 0.050 . 1 . . . . A 111 LEU CA . 31034 1 281 . 1 . 1 35 35 LEU CB C 13 41.07 0.050 . 1 . . . . A 111 LEU CB . 31034 1 282 . 1 . 1 35 35 LEU CD1 C 13 25.20 0.020 . . . . . . A 111 LEU CD1 . 31034 1 283 . 1 . 1 35 35 LEU CD2 C 13 23.74 0.020 . . . . . . A 111 LEU CD2 . 31034 1 284 . 1 . 1 35 35 LEU N N 15 119.52 0.030 . 1 . . . . A 111 LEU N . 31034 1 285 . 1 . 1 36 36 PHE H H 1 6.56 0.010 . 1 . . . . A 112 PHE H . 31034 1 286 . 1 . 1 36 36 PHE HA H 1 3.74 0.020 . 1 . . . . A 112 PHE HA . 31034 1 287 . 1 . 1 36 36 PHE HB2 H 1 2.80 0.020 . . . . . . A 112 PHE HB2 . 31034 1 288 . 1 . 1 36 36 PHE HB3 H 1 2.80 0.020 . . . . . . A 112 PHE HB3 . 31034 1 289 . 1 . 1 36 36 PHE C C 13 174.57 0.050 . 1 . . . . A 112 PHE C . 31034 1 290 . 1 . 1 36 36 PHE CA C 13 53.83 0.050 . 1 . . . . A 112 PHE CA . 31034 1 291 . 1 . 1 36 36 PHE CB C 13 39.68 0.050 . 1 . . . . A 112 PHE CB . 31034 1 292 . 1 . 1 36 36 PHE N N 15 113.07 0.030 . 1 . . . . A 112 PHE N . 31034 1 293 . 1 . 1 37 37 CYS H H 1 8.33 0.010 . 1 . . . . A 113 CYS H . 31034 1 294 . 1 . 1 37 37 CYS HA H 1 4.39 0.020 . 1 . . . . A 113 CYS HA . 31034 1 295 . 1 . 1 37 37 CYS C C 13 172.71 0.050 . 1 . . . . A 113 CYS C . 31034 1 296 . 1 . 1 37 37 CYS CA C 13 57.31 0.050 . 1 . . . . A 113 CYS CA . 31034 1 297 . 1 . 1 37 37 CYS CB C 13 45.69 0.050 . 1 . . . . A 113 CYS CB . 31034 1 298 . 1 . 1 37 37 CYS N N 15 117.88 0.030 . 1 . . . . A 113 CYS N . 31034 1 299 . 1 . 1 38 38 LEU H H 1 8.70 0.010 . 1 . . . . A 114 LEU H . 31034 1 300 . 1 . 1 38 38 LEU HA H 1 4.16 0.020 . 1 . . . . A 114 LEU HA . 31034 1 301 . 1 . 1 38 38 LEU HD11 H 1 0.84 0.010 . . . . . . A 114 LEU HD11 . 31034 1 302 . 1 . 1 38 38 LEU HD12 H 1 0.84 0.010 . . . . . . A 114 LEU HD12 . 31034 1 303 . 1 . 1 38 38 LEU HD13 H 1 0.84 0.010 . . . . . . A 114 LEU HD13 . 31034 1 304 . 1 . 1 38 38 LEU HD21 H 1 0.83 0.010 . . . . . . A 114 LEU HD21 . 31034 1 305 . 1 . 1 38 38 LEU HD22 H 1 0.83 0.010 . . . . . . A 114 LEU HD22 . 31034 1 306 . 1 . 1 38 38 LEU HD23 H 1 0.83 0.010 . . . . . . A 114 LEU HD23 . 31034 1 307 . 1 . 1 38 38 LEU C C 13 175.94 0.050 . 1 . . . . A 114 LEU C . 31034 1 308 . 1 . 1 38 38 LEU CA C 13 54.14 0.050 . 1 . . . . A 114 LEU CA . 31034 1 309 . 1 . 1 38 38 LEU CB C 13 39.99 0.050 . 1 . . . . A 114 LEU CB . 31034 1 310 . 1 . 1 38 38 LEU CD1 C 13 25.38 0.020 . . . . . . A 114 LEU CD1 . 31034 1 311 . 1 . 1 38 38 LEU CD2 C 13 23.41 0.020 . . . . . . A 114 LEU CD2 . 31034 1 312 . 1 . 1 38 38 LEU N N 15 124.33 0.030 . 1 . . . . A 114 LEU N . 31034 1 313 . 1 . 1 39 39 ARG H H 1 8.27 0.010 . 1 . . . . A 115 ARG H . 31034 1 314 . 1 . 1 39 39 ARG HA H 1 4.08 0.020 . 1 . . . . A 115 ARG HA . 31034 1 315 . 1 . 1 39 39 ARG HB2 H 1 1.76 0.020 . . . . . . A 115 ARG HB2 . 31034 1 316 . 1 . 1 39 39 ARG HB3 H 1 1.76 0.020 . . . . . . A 115 ARG HB3 . 31034 1 317 . 1 . 1 39 39 ARG HG2 H 1 1.79 0.020 . . . . . . A 115 ARG HG2 . 31034 1 318 . 1 . 1 39 39 ARG HG3 H 1 1.79 0.020 . . . . . . A 115 ARG HG3 . 31034 1 319 . 1 . 1 39 39 ARG C C 13 177.77 0.050 . 1 . . . . A 115 ARG C . 31034 1 320 . 1 . 1 39 39 ARG CA C 13 56.73 0.050 . 1 . . . . A 115 ARG CA . 31034 1 321 . 1 . 1 39 39 ARG CB C 13 29.40 0.050 . 1 . . . . A 115 ARG CB . 31034 1 322 . 1 . 1 39 39 ARG CG C 13 27.36 0.020 . 1 . . . . A 115 ARG CG . 31034 1 323 . 1 . 1 39 39 ARG CD C 13 43.40 0.020 . 1 . . . . A 115 ARG CD . 31034 1 324 . 1 . 1 39 39 ARG N N 15 120.39 0.030 . 1 . . . . A 115 ARG N . 31034 1 325 . 1 . 1 40 40 CYS H H 1 8.25 0.010 . 1 . . . . A 116 CYS H . 31034 1 326 . 1 . 1 40 40 CYS HA H 1 4.67 0.020 . 1 . . . . A 116 CYS HA . 31034 1 327 . 1 . 1 40 40 CYS C C 13 175.96 0.050 . 1 . . . . A 116 CYS C . 31034 1 328 . 1 . 1 40 40 CYS CA C 13 56.74 0.050 . 1 . . . . A 116 CYS CA . 31034 1 329 . 1 . 1 40 40 CYS CB C 13 40.53 0.050 . 1 . . . . A 116 CYS CB . 31034 1 330 . 1 . 1 40 40 CYS N N 15 123.68 0.030 . 1 . . . . A 116 CYS N . 31034 1 331 . 1 . 1 41 41 THR H H 1 10.05 0.010 . 1 . . . . A 117 THR H . 31034 1 332 . 1 . 1 41 41 THR HA H 1 4.21 0.020 . 1 . . . . A 117 THR HA . 31034 1 333 . 1 . 1 41 41 THR HB H 1 3.98 0.020 . 1 . . . . A 117 THR HB . 31034 1 334 . 1 . 1 41 41 THR HG21 H 1 1.21 0.020 . 1 . . . . A 117 THR HG21 . 31034 1 335 . 1 . 1 41 41 THR HG22 H 1 1.21 0.020 . 1 . . . . A 117 THR HG22 . 31034 1 336 . 1 . 1 41 41 THR HG23 H 1 1.21 0.020 . 1 . . . . A 117 THR HG23 . 31034 1 337 . 1 . 1 41 41 THR C C 13 174.32 0.050 . 1 . . . . A 117 THR C . 31034 1 338 . 1 . 1 41 41 THR CA C 13 62.87 0.050 . 1 . . . . A 117 THR CA . 31034 1 339 . 1 . 1 41 41 THR CB C 13 69.31 0.050 . 1 . . . . A 117 THR CB . 31034 1 340 . 1 . 1 41 41 THR CG2 C 13 22.50 0.020 . 1 . . . . A 117 THR CG2 . 31034 1 341 . 1 . 1 41 41 THR N N 15 123.02 0.030 . 1 . . . . A 117 THR N . 31034 1 342 . 1 . 1 42 42 ARG H H 1 8.72 0.010 . 1 . . . . A 118 ARG H . 31034 1 343 . 1 . 1 42 42 ARG HA H 1 4.59 0.020 . 1 . . . . A 118 ARG HA . 31034 1 344 . 1 . 1 42 42 ARG HG2 H 1 1.67 0.020 . . . . . . A 118 ARG HG2 . 31034 1 345 . 1 . 1 42 42 ARG HG3 H 1 1.67 0.020 . . . . . . A 118 ARG HG3 . 31034 1 346 . 1 . 1 42 42 ARG C C 13 175.95 0.050 . 1 . . . . A 118 ARG C . 31034 1 347 . 1 . 1 42 42 ARG CA C 13 53.70 0.050 . 1 . . . . A 118 ARG CA . 31034 1 348 . 1 . 1 42 42 ARG CB C 13 30.31 0.050 . 1 . . . . A 118 ARG CB . 31034 1 349 . 1 . 1 42 42 ARG CG C 13 26.99 0.020 . 1 . . . . A 118 ARG CG . 31034 1 350 . 1 . 1 42 42 ARG CD C 13 43.42 0.020 . 1 . . . . A 118 ARG CD . 31034 1 351 . 1 . 1 42 42 ARG N N 15 127.39 0.030 . 1 . . . . A 118 ARG N . 31034 1 352 . 1 . 1 43 43 CYS H H 1 8.85 0.010 . 1 . . . . A 119 CYS H . 31034 1 353 . 1 . 1 43 43 CYS HA H 1 4.66 0.020 . 1 . . . . A 119 CYS HA . 31034 1 354 . 1 . 1 43 43 CYS C C 13 174.74 0.050 . 1 . . . . A 119 CYS C . 31034 1 355 . 1 . 1 43 43 CYS CA C 13 52.95 0.050 . 1 . . . . A 119 CYS CA . 31034 1 356 . 1 . 1 43 43 CYS CB C 13 35.00 0.050 . 1 . . . . A 119 CYS CB . 31034 1 357 . 1 . 1 43 43 CYS N N 15 123.68 0.030 . 1 . . . . A 119 CYS N . 31034 1 358 . 1 . 1 44 44 ASP H H 1 9.10 0.010 . 1 . . . . A 120 ASP H . 31034 1 359 . 1 . 1 44 44 ASP HA H 1 4.67 0.020 . 1 . . . . A 120 ASP HA . 31034 1 360 . 1 . 1 44 44 ASP C C 13 176.53 0.050 . 1 . . . . A 120 ASP C . 31034 1 361 . 1 . 1 44 44 ASP CA C 13 52.95 0.050 . 1 . . . . A 120 ASP CA . 31034 1 362 . 1 . 1 44 44 ASP CB C 13 42.34 0.050 . 1 . . . . A 120 ASP CB . 31034 1 363 . 1 . 1 45 45 SER H H 1 8.65 0.010 . 1 . . . . A 121 SER H . 31034 1 364 . 1 . 1 45 45 SER HA H 1 4.16 0.020 . 1 . . . . A 121 SER HA . 31034 1 365 . 1 . 1 45 45 SER HB2 H 1 3.80 0.020 . . . . . . A 121 SER HB2 . 31034 1 366 . 1 . 1 45 45 SER HB3 H 1 3.80 0.020 . . . . . . A 121 SER HB3 . 31034 1 367 . 1 . 1 45 45 SER C C 13 175.47 0.050 . 1 . . . . A 121 SER C . 31034 1 368 . 1 . 1 45 45 SER CA C 13 59.84 0.050 . 1 . . . . A 121 SER CA . 31034 1 369 . 1 . 1 45 45 SER CB C 13 61.89 0.050 . 1 . . . . A 121 SER CB . 31034 1 370 . 1 . 1 45 45 SER N N 15 115.25 0.030 . 1 . . . . A 121 SER N . 31034 1 371 . 1 . 1 46 46 GLY H H 1 8.68 0.010 . 1 . . . . A 122 GLY H . 31034 1 372 . 1 . 1 46 46 GLY HA2 H 1 3.76 0.020 . . . . . . A 122 GLY HA2 . 31034 1 373 . 1 . 1 46 46 GLY HA3 H 1 3.76 0.020 . . . . . . A 122 GLY HA3 . 31034 1 374 . 1 . 1 46 46 GLY C C 13 173.43 0.050 . 1 . . . . A 122 GLY C . 31034 1 375 . 1 . 1 46 46 GLY CA C 13 44.24 0.050 . 1 . . . . A 122 GLY CA . 31034 1 376 . 1 . 1 46 46 GLY N N 15 112.96 0.030 . 1 . . . . A 122 GLY N . 31034 1 377 . 1 . 1 47 47 GLU H H 1 7.86 0.010 . 1 . . . . A 123 GLU H . 31034 1 378 . 1 . 1 47 47 GLU HA H 1 4.79 0.020 . 1 . . . . A 123 GLU HA . 31034 1 379 . 1 . 1 47 47 GLU C C 13 175.76 0.050 . 1 . . . . A 123 GLU C . 31034 1 380 . 1 . 1 47 47 GLU CA C 13 54.05 0.050 . 1 . . . . A 123 GLU CA . 31034 1 381 . 1 . 1 47 47 GLU CB C 13 32.84 0.050 . 1 . . . . A 123 GLU CB . 31034 1 382 . 1 . 1 47 47 GLU N N 15 118.86 0.030 . 1 . . . . A 123 GLU N . 31034 1 383 . 1 . 1 48 48 VAL H H 1 9.07 0.010 . 1 . . . . A 124 VAL H . 31034 1 384 . 1 . 1 48 48 VAL HA H 1 4.31 0.020 . 1 . . . . A 124 VAL HA . 31034 1 385 . 1 . 1 48 48 VAL HB H 1 1.87 0.020 . 1 . . . . A 124 VAL HB . 31034 1 386 . 1 . 1 48 48 VAL HG11 H 1 0.83 0.010 . . . . . . A 124 VAL HG11 . 31034 1 387 . 1 . 1 48 48 VAL HG12 H 1 0.83 0.010 . . . . . . A 124 VAL HG12 . 31034 1 388 . 1 . 1 48 48 VAL HG13 H 1 0.83 0.010 . . . . . . A 124 VAL HG13 . 31034 1 389 . 1 . 1 48 48 VAL HG21 H 1 0.85 0.010 . . . . . . A 124 VAL HG21 . 31034 1 390 . 1 . 1 48 48 VAL HG22 H 1 0.85 0.010 . . . . . . A 124 VAL HG22 . 31034 1 391 . 1 . 1 48 48 VAL HG23 H 1 0.85 0.010 . . . . . . A 124 VAL HG23 . 31034 1 392 . 1 . 1 48 48 VAL C C 13 174.55 0.050 . 1 . . . . A 124 VAL C . 31034 1 393 . 1 . 1 48 48 VAL CA C 13 59.16 0.050 . 1 . . . . A 124 VAL CA . 31034 1 394 . 1 . 1 48 48 VAL CB C 13 34.02 0.050 . 1 . . . . A 124 VAL CB . 31034 1 395 . 1 . 1 48 48 VAL CG1 C 13 20.16 0.020 . . . . . . A 124 VAL CG1 . 31034 1 396 . 1 . 1 48 48 VAL CG2 C 13 21.13 0.020 . . . . . . A 124 VAL CG2 . 31034 1 397 . 1 . 1 48 48 VAL N N 15 117.99 0.030 . 1 . . . . A 124 VAL N . 31034 1 398 . 1 . 1 49 49 GLU H H 1 8.48 0.010 . 1 . . . . A 125 GLU H . 31034 1 399 . 1 . 1 49 49 GLU HA H 1 4.56 0.020 . 1 . . . . A 125 GLU HA . 31034 1 400 . 1 . 1 49 49 GLU C C 13 176.02 0.050 . 1 . . . . A 125 GLU C . 31034 1 401 . 1 . 1 49 49 GLU CA C 13 56.22 0.050 . 1 . . . . A 125 GLU CA . 31034 1 402 . 1 . 1 49 49 GLU CB C 13 29.67 0.050 . 1 . . . . A 125 GLU CB . 31034 1 403 . 1 . 1 49 49 GLU N N 15 125.54 0.030 . 1 . . . . A 125 GLU N . 31034 1 404 . 1 . 1 50 50 LEU H H 1 8.96 0.010 . 1 . . . . A 126 LEU H . 31034 1 405 . 1 . 1 50 50 LEU HA H 1 3.68 0.020 . 1 . . . . A 126 LEU HA . 31034 1 406 . 1 . 1 50 50 LEU HD11 H 1 0.91 0.010 . . . . . . A 126 LEU HD11 . 31034 1 407 . 1 . 1 50 50 LEU HD12 H 1 0.91 0.010 . . . . . . A 126 LEU HD12 . 31034 1 408 . 1 . 1 50 50 LEU HD13 H 1 0.91 0.010 . . . . . . A 126 LEU HD13 . 31034 1 409 . 1 . 1 50 50 LEU HD21 H 1 0.83 0.010 . . . . . . A 126 LEU HD21 . 31034 1 410 . 1 . 1 50 50 LEU HD22 H 1 0.83 0.010 . . . . . . A 126 LEU HD22 . 31034 1 411 . 1 . 1 50 50 LEU HD23 H 1 0.83 0.010 . . . . . . A 126 LEU HD23 . 31034 1 412 . 1 . 1 50 50 LEU C C 13 177.65 0.050 . 1 . . . . A 126 LEU C . 31034 1 413 . 1 . 1 50 50 LEU CA C 13 55.78 0.050 . 1 . . . . A 126 LEU CA . 31034 1 414 . 1 . 1 50 50 LEU CB C 13 41.98 0.050 . 1 . . . . A 126 LEU CB . 31034 1 415 . 1 . 1 50 50 LEU CD1 C 13 24.67 0.020 . . . . . . A 126 LEU CD1 . 31034 1 416 . 1 . 1 50 50 LEU CD2 C 13 23.59 0.020 . . . . . . A 126 LEU CD2 . 31034 1 417 . 1 . 1 50 50 LEU N N 15 131.88 0.030 . 1 . . . . A 126 LEU N . 31034 1 418 . 1 . 1 51 51 SER H H 1 7.49 0.010 . 1 . . . . A 127 SER H . 31034 1 419 . 1 . 1 51 51 SER C C 13 181.29 0.050 . 1 . . . . A 127 SER C . 31034 1 420 . 1 . 1 51 51 SER CA C 13 54.84 0.050 . 1 . . . . A 127 SER CA . 31034 1 421 . 1 . 1 51 51 SER CB C 13 63.43 0.050 . 1 . . . . A 127 SER CB . 31034 1 422 . 1 . 1 51 51 SER N N 15 112.08 0.030 . 1 . . . . A 127 SER N . 31034 1 423 . 1 . 1 52 52 PRO HA H 1 4.52 0.020 . 1 . . . . A 128 PRO HA . 31034 1 424 . 1 . 1 52 52 PRO C C 13 176.32 0.050 . 1 . . . . A 128 PRO C . 31034 1 425 . 1 . 1 52 52 PRO CA C 13 61.51 0.050 . 1 . . . . A 128 PRO CA . 31034 1 426 . 1 . 1 52 52 PRO CB C 13 32.02 0.050 . 1 . . . . A 128 PRO CB . 31034 1 427 . 1 . 1 53 53 CYS H H 1 8.52 0.010 . 1 . . . . A 129 CYS H . 31034 1 428 . 1 . 1 53 53 CYS HA H 1 4.08 0.020 . 1 . . . . A 129 CYS HA . 31034 1 429 . 1 . 1 53 53 CYS C C 13 174.31 0.050 . 1 . . . . A 129 CYS C . 31034 1 430 . 1 . 1 53 53 CYS CA C 13 54.28 0.050 . 1 . . . . A 129 CYS CA . 31034 1 431 . 1 . 1 53 53 CYS CB C 13 43.34 0.050 . 1 . . . . A 129 CYS CB . 31034 1 432 . 1 . 1 53 53 CYS N N 15 122.36 0.030 . 1 . . . . A 129 CYS N . 31034 1 433 . 1 . 1 54 54 THR H H 1 9.00 0.010 . 1 . . . . A 130 THR H . 31034 1 434 . 1 . 1 54 54 THR HA H 1 4.37 0.020 . 1 . . . . A 130 THR HA . 31034 1 435 . 1 . 1 54 54 THR HG21 H 1 1.17 0.020 . 1 . . . . A 130 THR HG21 . 31034 1 436 . 1 . 1 54 54 THR HG22 H 1 1.17 0.020 . 1 . . . . A 130 THR HG22 . 31034 1 437 . 1 . 1 54 54 THR HG23 H 1 1.17 0.020 . 1 . . . . A 130 THR HG23 . 31034 1 438 . 1 . 1 54 54 THR C C 13 175.65 0.050 . 1 . . . . A 130 THR C . 31034 1 439 . 1 . 1 54 54 THR CA C 13 59.24 0.050 . 1 . . . . A 130 THR CA . 31034 1 440 . 1 . 1 54 54 THR CB C 13 69.94 0.050 . 1 . . . . A 130 THR CB . 31034 1 441 . 1 . 1 54 54 THR CG2 C 13 21.44 0.020 . 1 . . . . A 130 THR CG2 . 31034 1 442 . 1 . 1 54 54 THR N N 15 119.52 0.030 . 1 . . . . A 130 THR N . 31034 1 443 . 1 . 1 55 55 THR H H 1 7.83 0.010 . 1 . . . . A 131 THR H . 31034 1 444 . 1 . 1 55 55 THR HG21 H 1 1.23 0.020 . 1 . . . . A 131 THR HG21 . 31034 1 445 . 1 . 1 55 55 THR HG22 H 1 1.23 0.020 . 1 . . . . A 131 THR HG22 . 31034 1 446 . 1 . 1 55 55 THR HG23 H 1 1.23 0.020 . 1 . . . . A 131 THR HG23 . 31034 1 447 . 1 . 1 55 55 THR C C 13 175.54 0.050 . 1 . . . . A 131 THR C . 31034 1 448 . 1 . 1 55 55 THR CA C 13 64.72 0.050 . 1 . . . . A 131 THR CA . 31034 1 449 . 1 . 1 55 55 THR CB C 13 67.73 0.050 . 1 . . . . A 131 THR CB . 31034 1 450 . 1 . 1 55 55 THR CG2 C 13 23.17 0.020 . 1 . . . . A 131 THR CG2 . 31034 1 451 . 1 . 1 55 55 THR N N 15 105.63 0.030 . 1 . . . . A 131 THR N . 31034 1 452 . 1 . 1 56 56 THR H H 1 7.54 0.010 . 1 . . . . A 132 THR H . 31034 1 453 . 1 . 1 56 56 THR C C 13 174.00 0.050 . 1 . . . . A 132 THR C . 31034 1 454 . 1 . 1 56 56 THR CA C 13 59.80 0.050 . 1 . . . . A 132 THR CA . 31034 1 455 . 1 . 1 56 56 THR CB C 13 69.58 0.050 . 1 . . . . A 132 THR CB . 31034 1 456 . 1 . 1 56 56 THR N N 15 106.61 0.030 . 1 . . . . A 132 THR N . 31034 1 457 . 1 . 1 57 57 ARG H H 1 7.20 0.010 . 1 . . . . A 133 ARG H . 31034 1 458 . 1 . 1 57 57 ARG HA H 1 4.13 0.020 . 1 . . . . A 133 ARG HA . 31034 1 459 . 1 . 1 57 57 ARG HG2 H 1 1.55 0.020 . . . . . . A 133 ARG HG2 . 31034 1 460 . 1 . 1 57 57 ARG HG3 H 1 1.55 0.020 . . . . . . A 133 ARG HG3 . 31034 1 461 . 1 . 1 57 57 ARG C C 13 172.04 0.050 . 1 . . . . A 133 ARG C . 31034 1 462 . 1 . 1 57 57 ARG CA C 13 55.60 0.050 . 1 . . . . A 133 ARG CA . 31034 1 463 . 1 . 1 57 57 ARG CB C 13 33.02 0.050 . 1 . . . . A 133 ARG CB . 31034 1 464 . 1 . 1 57 57 ARG CG C 13 26.46 0.020 . 1 . . . . A 133 ARG CG . 31034 1 465 . 1 . 1 57 57 ARG CD C 13 43.77 0.020 . 1 . . . . A 133 ARG CD . 31034 1 466 . 1 . 1 57 57 ARG N N 15 124.22 0.030 . 1 . . . . A 133 ARG N . 31034 1 467 . 1 . 1 58 58 ASN H H 1 7.51 0.010 . 1 . . . . A 134 ASN H . 31034 1 468 . 1 . 1 58 58 ASN HA H 1 4.21 0.020 . 1 . . . . A 134 ASN HA . 31034 1 469 . 1 . 1 58 58 ASN HB2 H 1 2.33 0.020 . . . . . . A 134 ASN HB2 . 31034 1 470 . 1 . 1 58 58 ASN HB3 H 1 2.33 0.020 . . . . . . A 134 ASN HB3 . 31034 1 471 . 1 . 1 58 58 ASN C C 13 175.48 0.050 . 1 . . . . A 134 ASN C . 31034 1 472 . 1 . 1 58 58 ASN CA C 13 51.13 0.050 . 1 . . . . A 134 ASN CA . 31034 1 473 . 1 . 1 58 58 ASN CB C 13 37.46 0.050 . 1 . . . . A 134 ASN CB . 31034 1 474 . 1 . 1 58 58 ASN N N 15 121.38 0.030 . 1 . . . . A 134 ASN N . 31034 1 475 . 1 . 1 59 59 THR H H 1 8.13 0.010 . 1 . . . . A 135 THR H . 31034 1 476 . 1 . 1 59 59 THR HA H 1 3.59 0.020 . 1 . . . . A 135 THR HA . 31034 1 477 . 1 . 1 59 59 THR C C 13 173.69 0.050 . 1 . . . . A 135 THR C . 31034 1 478 . 1 . 1 59 59 THR CA C 13 62.19 0.050 . 1 . . . . A 135 THR CA . 31034 1 479 . 1 . 1 59 59 THR CB C 13 69.70 0.050 . 1 . . . . A 135 THR CB . 31034 1 480 . 1 . 1 59 59 THR N N 15 121.60 0.030 . 1 . . . . A 135 THR N . 31034 1 481 . 1 . 1 60 60 VAL H H 1 8.21 0.010 . 1 . . . . A 136 VAL H . 31034 1 482 . 1 . 1 60 60 VAL HA H 1 4.20 0.020 . 1 . . . . A 136 VAL HA . 31034 1 483 . 1 . 1 60 60 VAL HB H 1 1.93 0.020 . 1 . . . . A 136 VAL HB . 31034 1 484 . 1 . 1 60 60 VAL HG11 H 1 0.97 0.010 . . . . . . A 136 VAL HG11 . 31034 1 485 . 1 . 1 60 60 VAL HG12 H 1 0.97 0.010 . . . . . . A 136 VAL HG12 . 31034 1 486 . 1 . 1 60 60 VAL HG13 H 1 0.97 0.010 . . . . . . A 136 VAL HG13 . 31034 1 487 . 1 . 1 60 60 VAL HG21 H 1 0.88 0.010 . . . . . . A 136 VAL HG21 . 31034 1 488 . 1 . 1 60 60 VAL HG22 H 1 0.88 0.010 . . . . . . A 136 VAL HG22 . 31034 1 489 . 1 . 1 60 60 VAL HG23 H 1 0.88 0.010 . . . . . . A 136 VAL HG23 . 31034 1 490 . 1 . 1 60 60 VAL C C 13 175.07 0.050 . 1 . . . . A 136 VAL C . 31034 1 491 . 1 . 1 60 60 VAL CA C 13 62.23 0.050 . 1 . . . . A 136 VAL CA . 31034 1 492 . 1 . 1 60 60 VAL CB C 13 32.21 0.050 . 1 . . . . A 136 VAL CB . 31034 1 493 . 1 . 1 60 60 VAL CG1 C 13 21.95 0.020 . . . . . . A 136 VAL CG1 . 31034 1 494 . 1 . 1 60 60 VAL CG2 C 13 20.83 0.020 . . . . . . A 136 VAL CG2 . 31034 1 495 . 1 . 1 60 60 VAL N N 15 126.96 0.030 . 1 . . . . A 136 VAL N . 31034 1 496 . 1 . 1 61 61 CYS H H 1 8.71 0.010 . 1 . . . . A 137 CYS H . 31034 1 497 . 1 . 1 61 61 CYS HA H 1 5.36 0.020 . 1 . . . . A 137 CYS HA . 31034 1 498 . 1 . 1 61 61 CYS HB2 H 1 2.67 0.020 . . . . . . A 137 CYS HB2 . 31034 1 499 . 1 . 1 61 61 CYS HB3 H 1 2.67 0.020 . . . . . . A 137 CYS HB3 . 31034 1 500 . 1 . 1 61 61 CYS C C 13 173.82 0.050 . 1 . . . . A 137 CYS C . 31034 1 501 . 1 . 1 61 61 CYS CA C 13 53.16 0.050 . 1 . . . . A 137 CYS CA . 31034 1 502 . 1 . 1 61 61 CYS CB C 13 42.63 0.050 . 1 . . . . A 137 CYS CB . 31034 1 503 . 1 . 1 61 61 CYS N N 15 127.39 0.030 . 1 . . . . A 137 CYS N . 31034 1 504 . 1 . 1 62 62 GLN H H 1 9.03 0.010 . 1 . . . . A 138 GLN H . 31034 1 505 . 1 . 1 62 62 GLN HA H 1 4.06 0.020 . 1 . . . . A 138 GLN HA . 31034 1 506 . 1 . 1 62 62 GLN HG2 H 1 2.07 0.020 . . . . . . A 138 GLN HG2 . 31034 1 507 . 1 . 1 62 62 GLN HG3 H 1 2.07 0.020 . . . . . . A 138 GLN HG3 . 31034 1 508 . 1 . 1 62 62 GLN C C 13 174.40 0.050 . 1 . . . . A 138 GLN C . 31034 1 509 . 1 . 1 62 62 GLN CA C 13 54.05 0.050 . 1 . . . . A 138 GLN CA . 31034 1 510 . 1 . 1 62 62 GLN CB C 13 32.79 0.050 . 1 . . . . A 138 GLN CB . 31034 1 511 . 1 . 1 62 62 GLN N N 15 121.38 0.030 . 1 . . . . A 138 GLN N . 31034 1 512 . 1 . 1 63 63 CYS H H 1 8.91 0.010 . 1 . . . . A 139 CYS H . 31034 1 513 . 1 . 1 63 63 CYS HA H 1 4.41 0.020 . 1 . . . . A 139 CYS HA . 31034 1 514 . 1 . 1 63 63 CYS C C 13 174.69 0.050 . 1 . . . . A 139 CYS C . 31034 1 515 . 1 . 1 63 63 CYS CA C 13 55.87 0.050 . 1 . . . . A 139 CYS CA . 31034 1 516 . 1 . 1 63 63 CYS CB C 13 38.20 0.050 . 1 . . . . A 139 CYS CB . 31034 1 517 . 1 . 1 63 63 CYS N N 15 123.57 0.030 . 1 . . . . A 139 CYS N . 31034 1 518 . 1 . 1 64 64 GLU H H 1 7.80 0.010 . 1 . . . . A 140 GLU H . 31034 1 519 . 1 . 1 64 64 GLU HA H 1 4.01 0.020 . 1 . . . . A 140 GLU HA . 31034 1 520 . 1 . 1 64 64 GLU C C 13 175.55 0.050 . 1 . . . . A 140 GLU C . 31034 1 521 . 1 . 1 64 64 GLU CA C 13 55.87 0.050 . 1 . . . . A 140 GLU CA . 31034 1 522 . 1 . 1 64 64 GLU CB C 13 30.12 0.050 . 1 . . . . A 140 GLU CB . 31034 1 523 . 1 . 1 64 64 GLU N N 15 120.39 0.030 . 1 . . . . A 140 GLU N . 31034 1 524 . 1 . 1 65 65 GLU H H 1 8.64 0.010 . 1 . . . . A 141 GLU H . 31034 1 525 . 1 . 1 65 65 GLU C C 13 176.63 0.050 . 1 . . . . A 141 GLU C . 31034 1 526 . 1 . 1 65 65 GLU CA C 13 57.87 0.050 . 1 . . . . A 141 GLU CA . 31034 1 527 . 1 . 1 65 65 GLU CB C 13 29.04 0.050 . 1 . . . . A 141 GLU CB . 31034 1 528 . 1 . 1 65 65 GLU N N 15 123.57 0.030 . 1 . . . . A 141 GLU N . 31034 1 529 . 1 . 1 66 66 GLY H H 1 8.55 0.010 . 1 . . . . A 142 GLY H . 31034 1 530 . 1 . 1 66 66 GLY HA2 H 1 3.70 0.020 . . . . . . A 142 GLY HA2 . 31034 1 531 . 1 . 1 66 66 GLY HA3 H 1 3.70 0.020 . . . . . . A 142 GLY HA3 . 31034 1 532 . 1 . 1 66 66 GLY C C 13 174.27 0.050 . 1 . . . . A 142 GLY C . 31034 1 533 . 1 . 1 66 66 GLY CA C 13 44.35 0.050 . 1 . . . . A 142 GLY CA . 31034 1 534 . 1 . 1 66 66 GLY N N 15 113.83 0.030 . 1 . . . . A 142 GLY N . 31034 1 535 . 1 . 1 67 67 THR H H 1 8.33 0.010 . 1 . . . . A 143 THR H . 31034 1 536 . 1 . 1 67 67 THR HG21 H 1 0.89 0.020 . 1 . . . . A 143 THR HG21 . 31034 1 537 . 1 . 1 67 67 THR HG22 H 1 0.89 0.020 . 1 . . . . A 143 THR HG22 . 31034 1 538 . 1 . 1 67 67 THR HG23 H 1 0.89 0.020 . 1 . . . . A 143 THR HG23 . 31034 1 539 . 1 . 1 67 67 THR C C 13 181.08 0.050 . 1 . . . . A 143 THR C . 31034 1 540 . 1 . 1 67 67 THR CA C 13 59.61 0.050 . 1 . . . . A 143 THR CA . 31034 1 541 . 1 . 1 67 67 THR CB C 13 72.89 0.050 . 1 . . . . A 143 THR CB . 31034 1 542 . 1 . 1 67 67 THR CG2 C 13 21.77 0.020 . 1 . . . . A 143 THR CG2 . 31034 1 543 . 1 . 1 67 67 THR N N 15 114.93 0.030 . 1 . . . . A 143 THR N . 31034 1 544 . 1 . 1 68 68 PHE H H 1 9.17 0.010 . 1 . . . . A 144 PHE H . 31034 1 545 . 1 . 1 68 68 PHE HA H 1 4.97 0.020 . 1 . . . . A 144 PHE HA . 31034 1 546 . 1 . 1 68 68 PHE HB2 H 1 3.21 0.020 . . . . . . A 144 PHE HB2 . 31034 1 547 . 1 . 1 68 68 PHE HB3 H 1 3.21 0.020 . . . . . . A 144 PHE HB3 . 31034 1 548 . 1 . 1 68 68 PHE C C 13 174.15 0.050 . 1 . . . . A 144 PHE C . 31034 1 549 . 1 . 1 68 68 PHE CA C 13 55.75 0.050 . 1 . . . . A 144 PHE CA . 31034 1 550 . 1 . 1 68 68 PHE CB C 13 44.42 0.050 . 1 . . . . A 144 PHE CB . 31034 1 551 . 1 . 1 68 68 PHE N N 15 115.69 0.030 . 1 . . . . A 144 PHE N . 31034 1 552 . 1 . 1 69 69 ARG H H 1 7.97 0.010 . 1 . . . . A 145 ARG H . 31034 1 553 . 1 . 1 69 69 ARG HA H 1 2.71 0.020 . 1 . . . . A 145 ARG HA . 31034 1 554 . 1 . 1 69 69 ARG HB2 H 1 1.68 0.020 . . . . . . A 145 ARG HB2 . 31034 1 555 . 1 . 1 69 69 ARG HB3 H 1 1.68 0.020 . . . . . . A 145 ARG HB3 . 31034 1 556 . 1 . 1 69 69 ARG C C 13 174.62 0.050 . 1 . . . . A 145 ARG C . 31034 1 557 . 1 . 1 69 69 ARG CA C 13 55.07 0.050 . 1 . . . . A 145 ARG CA . 31034 1 558 . 1 . 1 69 69 ARG CB C 13 32.54 0.050 . 1 . . . . A 145 ARG CB . 31034 1 559 . 1 . 1 69 69 ARG N N 15 120.72 0.030 . 1 . . . . A 145 ARG N . 31034 1 560 . 1 . 1 70 70 GLU H H 1 8.71 0.010 . 1 . . . . A 146 GLU H . 31034 1 561 . 1 . 1 70 70 GLU HB2 H 1 1.96 0.020 . . . . . . A 146 GLU HB2 . 31034 1 562 . 1 . 1 70 70 GLU HB3 H 1 1.96 0.020 . . . . . . A 146 GLU HB3 . 31034 1 563 . 1 . 1 70 70 GLU C C 13 177.42 0.050 . 1 . . . . A 146 GLU C . 31034 1 564 . 1 . 1 70 70 GLU CA C 13 56.06 0.050 . 1 . . . . A 146 GLU CA . 31034 1 565 . 1 . 1 70 70 GLU CB C 13 30.08 0.050 . 1 . . . . A 146 GLU CB . 31034 1 566 . 1 . 1 70 70 GLU N N 15 125.10 0.030 . 1 . . . . A 146 GLU N . 31034 1 567 . 1 . 1 71 71 GLU H H 1 8.88 0.010 . 1 . . . . A 147 GLU H . 31034 1 568 . 1 . 1 71 71 GLU HA H 1 4.06 0.020 . 1 . . . . A 147 GLU HA . 31034 1 569 . 1 . 1 71 71 GLU C C 13 177.21 0.050 . 1 . . . . A 147 GLU C . 31034 1 570 . 1 . 1 71 71 GLU CA C 13 58.33 0.050 . 1 . . . . A 147 GLU CA . 31034 1 571 . 1 . 1 71 71 GLU CB C 13 29.40 0.050 . 1 . . . . A 147 GLU CB . 31034 1 572 . 1 . 1 71 71 GLU N N 15 123.57 0.030 . 1 . . . . A 147 GLU N . 31034 1 573 . 1 . 1 72 72 ASP H H 1 8.63 0.010 . 1 . . . . A 148 ASP H . 31034 1 574 . 1 . 1 72 72 ASP HA H 1 4.52 0.020 . 1 . . . . A 148 ASP HA . 31034 1 575 . 1 . 1 72 72 ASP HB2 H 1 2.75 0.020 . . . . . . A 148 ASP HB2 . 31034 1 576 . 1 . 1 72 72 ASP HB3 H 1 2.20 0.020 . . . . . . A 148 ASP HB3 . 31034 1 577 . 1 . 1 72 72 ASP C C 13 175.61 0.050 . 1 . . . . A 148 ASP C . 31034 1 578 . 1 . 1 72 72 ASP CA C 13 54.73 0.050 . 1 . . . . A 148 ASP CA . 31034 1 579 . 1 . 1 72 72 ASP CB C 13 39.43 0.050 . 1 . . . . A 148 ASP CB . 31034 1 580 . 1 . 1 72 72 ASP N N 15 118.21 0.030 . 1 . . . . A 148 ASP N . 31034 1 581 . 1 . 1 73 73 SER H H 1 7.72 0.010 . 1 . . . . A 149 SER H . 31034 1 582 . 1 . 1 73 73 SER HA H 1 3.88 0.020 . 1 . . . . A 149 SER HA . 31034 1 583 . 1 . 1 73 73 SER C C 13 174.47 0.050 . 1 . . . . A 149 SER C . 31034 1 584 . 1 . 1 73 73 SER CA C 13 55.11 0.050 . 1 . . . . A 149 SER CA . 31034 1 585 . 1 . 1 73 73 SER CB C 13 64.24 0.050 . 1 . . . . A 149 SER CB . 31034 1 586 . 1 . 1 73 73 SER N N 15 115.25 0.030 . 1 . . . . A 149 SER N . 31034 1 587 . 1 . 1 74 74 PRO HA H 1 4.62 0.020 . 1 . . . . A 150 PRO HA . 31034 1 588 . 1 . 1 74 74 PRO C C 13 176.82 0.050 . 1 . . . . A 150 PRO C . 31034 1 589 . 1 . 1 74 74 PRO CA C 13 63.15 0.050 . 1 . . . . A 150 PRO CA . 31034 1 590 . 1 . 1 74 74 PRO CB C 13 30.94 0.050 . 1 . . . . A 150 PRO CB . 31034 1 591 . 1 . 1 75 75 GLU H H 1 8.03 0.010 . 1 . . . . A 151 GLU H . 31034 1 592 . 1 . 1 75 75 GLU HA H 1 4.20 0.020 . 1 . . . . A 151 GLU HA . 31034 1 593 . 1 . 1 75 75 GLU HB2 H 1 1.80 0.020 . . . . . . A 151 GLU HB2 . 31034 1 594 . 1 . 1 75 75 GLU HB3 H 1 1.80 0.020 . . . . . . A 151 GLU HB3 . 31034 1 595 . 1 . 1 75 75 GLU C C 13 175.70 0.050 . 1 . . . . A 151 GLU C . 31034 1 596 . 1 . 1 75 75 GLU CA C 13 55.94 0.050 . 1 . . . . A 151 GLU CA . 31034 1 597 . 1 . 1 75 75 GLU CB C 13 29.67 0.050 . 1 . . . . A 151 GLU CB . 31034 1 598 . 1 . 1 75 75 GLU N N 15 120.50 0.030 . 1 . . . . A 151 GLU N . 31034 1 599 . 1 . 1 76 76 MET H H 1 7.97 0.010 . 1 . . . . A 152 MET H . 31034 1 600 . 1 . 1 76 76 MET HA H 1 4.38 0.020 . 1 . . . . A 152 MET HA . 31034 1 601 . 1 . 1 76 76 MET HB2 H 1 1.98 0.020 . . . . . . A 152 MET HB2 . 31034 1 602 . 1 . 1 76 76 MET HB3 H 1 1.98 0.020 . . . . . . A 152 MET HB3 . 31034 1 603 . 1 . 1 76 76 MET HG2 H 1 2.50 0.020 . . . . . . A 152 MET HG2 . 31034 1 604 . 1 . 1 76 76 MET HG3 H 1 2.50 0.020 . . . . . . A 152 MET HG3 . 31034 1 605 . 1 . 1 76 76 MET C C 13 176.20 0.050 . 1 . . . . A 152 MET C . 31034 1 606 . 1 . 1 76 76 MET CA C 13 55.19 0.050 . 1 . . . . A 152 MET CA . 31034 1 607 . 1 . 1 76 76 MET CB C 13 33.28 0.050 . 1 . . . . A 152 MET CB . 31034 1 608 . 1 . 1 76 76 MET N N 15 118.10 0.030 . 1 . . . . A 152 MET N . 31034 1 609 . 1 . 1 77 77 CYS H H 1 8.44 0.010 . 1 . . . . A 153 CYS H . 31034 1 610 . 1 . 1 77 77 CYS HA H 1 4.35 0.020 . 1 . . . . A 153 CYS HA . 31034 1 611 . 1 . 1 77 77 CYS C C 13 174.24 0.050 . 1 . . . . A 153 CYS C . 31034 1 612 . 1 . 1 77 77 CYS CA C 13 56.62 0.050 . 1 . . . . A 153 CYS CA . 31034 1 613 . 1 . 1 77 77 CYS CB C 13 41.80 0.050 . 1 . . . . A 153 CYS CB . 31034 1 614 . 1 . 1 77 77 CYS N N 15 120.29 0.030 . 1 . . . . A 153 CYS N . 31034 1 615 . 1 . 1 78 78 ARG H H 1 8.67 0.010 . 1 . . . . A 154 ARG H . 31034 1 616 . 1 . 1 78 78 ARG HA H 1 4.46 0.020 . 1 . . . . A 154 ARG HA . 31034 1 617 . 1 . 1 78 78 ARG HG2 H 1 1.40 0.020 . . . . . . A 154 ARG HG2 . 31034 1 618 . 1 . 1 78 78 ARG HG3 H 1 1.40 0.020 . . . . . . A 154 ARG HG3 . 31034 1 619 . 1 . 1 78 78 ARG C C 13 174.94 0.050 . 1 . . . . A 154 ARG C . 31034 1 620 . 1 . 1 78 78 ARG CA C 13 53.47 0.050 . 1 . . . . A 154 ARG CA . 31034 1 621 . 1 . 1 78 78 ARG CB C 13 32.21 0.050 . 1 . . . . A 154 ARG CB . 31034 1 622 . 1 . 1 78 78 ARG CG C 13 26.75 0.020 . 1 . . . . A 154 ARG CG . 31034 1 623 . 1 . 1 78 78 ARG CD C 13 43.54 0.020 . 1 . . . . A 154 ARG CD . 31034 1 624 . 1 . 1 78 78 ARG N N 15 124.44 0.030 . 1 . . . . A 154 ARG N . 31034 1 625 . 1 . 1 79 79 LYS H H 1 8.47 0.010 . 1 . . . . A 155 LYS H . 31034 1 626 . 1 . 1 79 79 LYS HA H 1 4.20 0.020 . 1 . . . . A 155 LYS HA . 31034 1 627 . 1 . 1 79 79 LYS HG2 H 1 1.54 0.020 . . . . . . A 155 LYS HG2 . 31034 1 628 . 1 . 1 79 79 LYS HG3 H 1 1.54 0.020 . . . . . . A 155 LYS HG3 . 31034 1 629 . 1 . 1 79 79 LYS C C 13 177.96 0.050 . 1 . . . . A 155 LYS C . 31034 1 630 . 1 . 1 79 79 LYS CA C 13 57.38 0.050 . 1 . . . . A 155 LYS CA . 31034 1 631 . 1 . 1 79 79 LYS CB C 13 32.05 0.050 . 1 . . . . A 155 LYS CB . 31034 1 632 . 1 . 1 79 79 LYS CG C 13 25.23 0.020 . 1 . . . . A 155 LYS CG . 31034 1 633 . 1 . 1 79 79 LYS CD C 13 29.39 0.020 . 1 . . . . A 155 LYS CD . 31034 1 634 . 1 . 1 79 79 LYS CE C 13 42.16 0.020 . 1 . . . . A 155 LYS CE . 31034 1 635 . 1 . 1 79 79 LYS N N 15 121.38 0.030 . 1 . . . . A 155 LYS N . 31034 1 636 . 1 . 1 80 80 CYS H H 1 8.41 0.010 . 1 . . . . A 156 CYS H . 31034 1 637 . 1 . 1 80 80 CYS HA H 1 4.39 0.020 . 1 . . . . A 156 CYS HA . 31034 1 638 . 1 . 1 80 80 CYS C C 13 176.51 0.050 . 1 . . . . A 156 CYS C . 31034 1 639 . 1 . 1 80 80 CYS CA C 13 55.44 0.050 . 1 . . . . A 156 CYS CA . 31034 1 640 . 1 . 1 80 80 CYS CB C 13 43.12 0.050 . 1 . . . . A 156 CYS CB . 31034 1 641 . 1 . 1 80 80 CYS N N 15 122.58 0.030 . 1 . . . . A 156 CYS N . 31034 1 642 . 1 . 1 81 81 ARG H H 1 10.24 0.010 . 1 . . . . A 157 ARG H . 31034 1 643 . 1 . 1 81 81 ARG HA H 1 4.31 0.020 . 1 . . . . A 157 ARG HA . 31034 1 644 . 1 . 1 81 81 ARG HB2 H 1 1.89 0.020 . . . . . . A 157 ARG HB2 . 31034 1 645 . 1 . 1 81 81 ARG HB3 H 1 1.89 0.020 . . . . . . A 157 ARG HB3 . 31034 1 646 . 1 . 1 81 81 ARG C C 13 176.74 0.050 . 1 . . . . A 157 ARG C . 31034 1 647 . 1 . 1 81 81 ARG CA C 13 57.23 0.050 . 1 . . . . A 157 ARG CA . 31034 1 648 . 1 . 1 81 81 ARG CB C 13 30.40 0.050 . 1 . . . . A 157 ARG CB . 31034 1 649 . 1 . 1 81 81 ARG N N 15 126.41 0.030 . 1 . . . . A 157 ARG N . 31034 1 650 . 1 . 1 82 82 THR H H 1 8.44 0.010 . 1 . . . . A 158 THR H . 31034 1 651 . 1 . 1 82 82 THR HA H 1 4.27 0.020 . 1 . . . . A 158 THR HA . 31034 1 652 . 1 . 1 82 82 THR HB H 1 4.22 0.020 . 1 . . . . A 158 THR HB . 31034 1 653 . 1 . 1 82 82 THR HG21 H 1 1.21 0.020 . 1 . . . . A 158 THR HG21 . 31034 1 654 . 1 . 1 82 82 THR HG22 H 1 1.21 0.020 . 1 . . . . A 158 THR HG22 . 31034 1 655 . 1 . 1 82 82 THR HG23 H 1 1.21 0.020 . 1 . . . . A 158 THR HG23 . 31034 1 656 . 1 . 1 82 82 THR C C 13 175.06 0.050 . 1 . . . . A 158 THR C . 31034 1 657 . 1 . 1 82 82 THR CA C 13 62.04 0.050 . 1 . . . . A 158 THR CA . 31034 1 658 . 1 . 1 82 82 THR CB C 13 68.59 0.050 . 1 . . . . A 158 THR CB . 31034 1 659 . 1 . 1 82 82 THR CG2 C 13 21.95 0.020 . 1 . . . . A 158 THR CG2 . 31034 1 660 . 1 . 1 82 82 THR N N 15 110.77 0.030 . 1 . . . . A 158 THR N . 31034 1 661 . 1 . 1 83 83 GLY H H 1 7.32 0.010 . 1 . . . . A 159 GLY H . 31034 1 662 . 1 . 1 83 83 GLY HA2 H 1 3.89 0.020 . . . . . . A 159 GLY HA2 . 31034 1 663 . 1 . 1 83 83 GLY HA3 H 1 3.89 0.020 . . . . . . A 159 GLY HA3 . 31034 1 664 . 1 . 1 83 83 GLY C C 13 181.78 0.050 . 1 . . . . A 159 GLY C . 31034 1 665 . 1 . 1 83 83 GLY CA C 13 43.61 0.050 . 1 . . . . A 159 GLY CA . 31034 1 666 . 1 . 1 83 83 GLY N N 15 108.47 0.030 . 1 . . . . A 159 GLY N . 31034 1 667 . 1 . 1 87 87 GLY C C 13 173.85 0.050 . 1 . . . . A 163 GLY C . 31034 1 668 . 1 . 1 87 87 GLY CA C 13 44.60 0.050 . 1 . . . . A 163 GLY CA . 31034 1 669 . 1 . 1 88 88 MET H H 1 7.95 0.010 . 1 . . . . A 164 MET H . 31034 1 670 . 1 . 1 88 88 MET HA H 1 4.92 0.020 . 1 . . . . A 164 MET HA . 31034 1 671 . 1 . 1 88 88 MET C C 13 174.50 0.050 . 1 . . . . A 164 MET C . 31034 1 672 . 1 . 1 88 88 MET CA C 13 54.37 0.050 . 1 . . . . A 164 MET CA . 31034 1 673 . 1 . 1 88 88 MET CB C 13 35.74 0.050 . 1 . . . . A 164 MET CB . 31034 1 674 . 1 . 1 88 88 MET N N 15 118.54 0.030 . 1 . . . . A 164 MET N . 31034 1 675 . 1 . 1 89 89 VAL H H 1 9.13 0.010 . 1 . . . . A 165 VAL H . 31034 1 676 . 1 . 1 89 89 VAL HA H 1 4.37 0.020 . 1 . . . . A 165 VAL HA . 31034 1 677 . 1 . 1 89 89 VAL HB H 1 1.88 0.020 . 1 . . . . A 165 VAL HB . 31034 1 678 . 1 . 1 89 89 VAL HG11 H 1 0.81 0.010 . . . . . . A 165 VAL HG11 . 31034 1 679 . 1 . 1 89 89 VAL HG12 H 1 0.81 0.010 . . . . . . A 165 VAL HG12 . 31034 1 680 . 1 . 1 89 89 VAL HG13 H 1 0.81 0.010 . . . . . . A 165 VAL HG13 . 31034 1 681 . 1 . 1 89 89 VAL HG21 H 1 0.81 0.010 . . . . . . A 165 VAL HG21 . 31034 1 682 . 1 . 1 89 89 VAL HG22 H 1 0.81 0.010 . . . . . . A 165 VAL HG22 . 31034 1 683 . 1 . 1 89 89 VAL HG23 H 1 0.81 0.010 . . . . . . A 165 VAL HG23 . 31034 1 684 . 1 . 1 89 89 VAL C C 13 174.20 0.050 . 1 . . . . A 165 VAL C . 31034 1 685 . 1 . 1 89 89 VAL CA C 13 59.65 0.050 . 1 . . . . A 165 VAL CA . 31034 1 686 . 1 . 1 89 89 VAL CB C 13 34.27 0.050 . 1 . . . . A 165 VAL CB . 31034 1 687 . 1 . 1 89 89 VAL CG1 C 13 20.48 0.020 . . . . . . A 165 VAL CG1 . 31034 1 688 . 1 . 1 89 89 VAL CG2 C 13 21.27 0.020 . . . . . . A 165 VAL CG2 . 31034 1 689 . 1 . 1 89 89 VAL N N 15 118.86 0.030 . 1 . . . . A 165 VAL N . 31034 1 690 . 1 . 1 90 90 LYS H H 1 8.39 0.010 . 1 . . . . A 166 LYS H . 31034 1 691 . 1 . 1 90 90 LYS HA H 1 4.45 0.020 . 1 . . . . A 166 LYS HA . 31034 1 692 . 1 . 1 90 90 LYS HG2 H 1 1.28 0.020 . . . . . . A 166 LYS HG2 . 31034 1 693 . 1 . 1 90 90 LYS HG3 H 1 1.28 0.020 . . . . . . A 166 LYS HG3 . 31034 1 694 . 1 . 1 90 90 LYS C C 13 177.06 0.050 . 1 . . . . A 166 LYS C . 31034 1 695 . 1 . 1 90 90 LYS CA C 13 56.49 0.050 . 1 . . . . A 166 LYS CA . 31034 1 696 . 1 . 1 90 90 LYS CB C 13 32.21 0.050 . 1 . . . . A 166 LYS CB . 31034 1 697 . 1 . 1 90 90 LYS CG C 13 25.04 0.020 . 1 . . . . A 166 LYS CG . 31034 1 698 . 1 . 1 90 90 LYS CD C 13 29.31 0.020 . 1 . . . . A 166 LYS CD . 31034 1 699 . 1 . 1 90 90 LYS CE C 13 42.13 0.020 . 1 . . . . A 166 LYS CE . 31034 1 700 . 1 . 1 90 90 LYS N N 15 127.29 0.030 . 1 . . . . A 166 LYS N . 31034 1 701 . 1 . 1 91 91 VAL H H 1 8.85 0.010 . 1 . . . . A 167 VAL H . 31034 1 702 . 1 . 1 91 91 VAL HA H 1 4.47 0.020 . 1 . . . . A 167 VAL HA . 31034 1 703 . 1 . 1 91 91 VAL HB H 1 2.20 0.020 . 1 . . . . A 167 VAL HB . 31034 1 704 . 1 . 1 91 91 VAL HG11 H 1 0.71 0.010 . . . . . . A 167 VAL HG11 . 31034 1 705 . 1 . 1 91 91 VAL HG12 H 1 0.71 0.010 . . . . . . A 167 VAL HG12 . 31034 1 706 . 1 . 1 91 91 VAL HG13 H 1 0.71 0.010 . . . . . . A 167 VAL HG13 . 31034 1 707 . 1 . 1 91 91 VAL HG21 H 1 0.83 0.010 . . . . . . A 167 VAL HG21 . 31034 1 708 . 1 . 1 91 91 VAL HG22 H 1 0.83 0.010 . . . . . . A 167 VAL HG22 . 31034 1 709 . 1 . 1 91 91 VAL HG23 H 1 0.83 0.010 . . . . . . A 167 VAL HG23 . 31034 1 710 . 1 . 1 91 91 VAL C C 13 175.37 0.050 . 1 . . . . A 167 VAL C . 31034 1 711 . 1 . 1 91 91 VAL CA C 13 60.49 0.050 . 1 . . . . A 167 VAL CA . 31034 1 712 . 1 . 1 91 91 VAL CB C 13 32.84 0.050 . 1 . . . . A 167 VAL CB . 31034 1 713 . 1 . 1 91 91 VAL CG1 C 13 19.78 0.020 . . . . . . A 167 VAL CG1 . 31034 1 714 . 1 . 1 91 91 VAL CG2 C 13 21.77 0.020 . . . . . . A 167 VAL CG2 . 31034 1 715 . 1 . 1 91 91 VAL N N 15 122.25 0.030 . 1 . . . . A 167 VAL N . 31034 1 716 . 1 . 1 92 92 GLY H H 1 7.56 0.010 . 1 . . . . A 168 GLY H . 31034 1 717 . 1 . 1 92 92 GLY HA2 H 1 4.21 0.020 . . . . . . A 168 GLY HA2 . 31034 1 718 . 1 . 1 92 92 GLY HA3 H 1 3.90 0.020 . . . . . . A 168 GLY HA3 . 31034 1 719 . 1 . 1 92 92 GLY C C 13 172.39 0.050 . 1 . . . . A 168 GLY C . 31034 1 720 . 1 . 1 92 92 GLY CA C 13 44.51 0.050 . 1 . . . . A 168 GLY CA . 31034 1 721 . 1 . 1 92 92 GLY N N 15 110.88 0.030 . 1 . . . . A 168 GLY N . 31034 1 722 . 1 . 1 93 93 ASP H H 1 8.19 0.010 . 1 . . . . A 169 ASP H . 31034 1 723 . 1 . 1 93 93 ASP HA H 1 4.70 0.020 . 1 . . . . A 169 ASP HA . 31034 1 724 . 1 . 1 93 93 ASP HB2 H 1 2.62 0.020 . . . . . . A 169 ASP HB2 . 31034 1 725 . 1 . 1 93 93 ASP HB3 H 1 2.29 0.020 . . . . . . A 169 ASP HB3 . 31034 1 726 . 1 . 1 93 93 ASP C C 13 174.90 0.050 . 1 . . . . A 169 ASP C . 31034 1 727 . 1 . 1 93 93 ASP CA C 13 53.37 0.050 . 1 . . . . A 169 ASP CA . 31034 1 728 . 1 . 1 93 93 ASP CB C 13 42.52 0.050 . 1 . . . . A 169 ASP CB . 31034 1 729 . 1 . 1 93 93 ASP N N 15 121.27 0.030 . 1 . . . . A 169 ASP N . 31034 1 730 . 1 . 1 94 94 CYS H H 1 8.47 0.010 . 1 . . . . A 170 CYS H . 31034 1 731 . 1 . 1 94 94 CYS HA H 1 4.50 0.020 . 1 . . . . A 170 CYS HA . 31034 1 732 . 1 . 1 94 94 CYS HB2 H 1 2.89 0.020 . . . . . . A 170 CYS HB2 . 31034 1 733 . 1 . 1 94 94 CYS HB3 H 1 2.89 0.020 . . . . . . A 170 CYS HB3 . 31034 1 734 . 1 . 1 94 94 CYS C C 13 174.38 0.050 . 1 . . . . A 170 CYS C . 31034 1 735 . 1 . 1 94 94 CYS CA C 13 55.04 0.050 . 1 . . . . A 170 CYS CA . 31034 1 736 . 1 . 1 94 94 CYS CB C 13 39.92 0.050 . 1 . . . . A 170 CYS CB . 31034 1 737 . 1 . 1 94 94 CYS N N 15 119.74 0.030 . 1 . . . . A 170 CYS N . 31034 1 738 . 1 . 1 95 95 THR H H 1 9.38 0.010 . 1 . . . . A 171 THR H . 31034 1 739 . 1 . 1 95 95 THR HG21 H 1 1.10 0.020 . 1 . . . . A 171 THR HG21 . 31034 1 740 . 1 . 1 95 95 THR HG22 H 1 1.10 0.020 . 1 . . . . A 171 THR HG22 . 31034 1 741 . 1 . 1 95 95 THR HG23 H 1 1.10 0.020 . 1 . . . . A 171 THR HG23 . 31034 1 742 . 1 . 1 95 95 THR C C 13 172.39 0.050 . 1 . . . . A 171 THR C . 31034 1 743 . 1 . 1 95 95 THR CA C 13 59.61 0.050 . 1 . . . . A 171 THR CA . 31034 1 744 . 1 . 1 95 95 THR CB C 13 69.40 0.050 . 1 . . . . A 171 THR CB . 31034 1 745 . 1 . 1 95 95 THR CG2 C 13 20.83 0.020 . 1 . . . . A 171 THR CG2 . 31034 1 746 . 1 . 1 95 95 THR N N 15 125.32 0.030 . 1 . . . . A 171 THR N . 31034 1 747 . 1 . 1 96 96 PRO HA H 1 4.63 0.020 . 1 . . . . A 172 PRO HA . 31034 1 748 . 1 . 1 96 96 PRO HB2 H 1 2.19 0.020 . . . . . . A 172 PRO HB2 . 31034 1 749 . 1 . 1 96 96 PRO HB3 H 1 2.19 0.020 . . . . . . A 172 PRO HB3 . 31034 1 750 . 1 . 1 96 96 PRO C C 13 177.14 0.050 . 1 . . . . A 172 PRO C . 31034 1 751 . 1 . 1 96 96 PRO CA C 13 64.19 0.050 . 1 . . . . A 172 PRO CA . 31034 1 752 . 1 . 1 96 96 PRO CB C 13 30.49 0.050 . 1 . . . . A 172 PRO CB . 31034 1 753 . 1 . 1 97 97 TRP H H 1 7.47 0.010 . 1 . . . . A 173 TRP H . 31034 1 754 . 1 . 1 97 97 TRP HA H 1 3.66 0.020 . 1 . . . . A 173 TRP HA . 31034 1 755 . 1 . 1 97 97 TRP HB2 H 1 3.06 0.020 . . . . . . A 173 TRP HB2 . 31034 1 756 . 1 . 1 97 97 TRP HB3 H 1 3.06 0.020 . . . . . . A 173 TRP HB3 . 31034 1 757 . 1 . 1 97 97 TRP HE1 H 1 10.16 0.020 . 1 . . . . A 173 TRP HE1 . 31034 1 758 . 1 . 1 97 97 TRP C C 13 175.11 0.050 . 1 . . . . A 173 TRP C . 31034 1 759 . 1 . 1 97 97 TRP CA C 13 55.49 0.050 . 1 . . . . A 173 TRP CA . 31034 1 760 . 1 . 1 97 97 TRP CB C 13 29.94 0.050 . 1 . . . . A 173 TRP CB . 31034 1 761 . 1 . 1 97 97 TRP N N 15 115.36 0.030 . 1 . . . . A 173 TRP N . 31034 1 762 . 1 . 1 97 97 TRP NE1 N 15 130.15 0.030 . 1 . . . . A 173 TRP NE1 . 31034 1 763 . 1 . 1 98 98 SER H H 1 7.65 0.010 . 1 . . . . A 174 SER H . 31034 1 764 . 1 . 1 98 98 SER HA H 1 4.33 0.020 . 1 . . . . A 174 SER HA . 31034 1 765 . 1 . 1 98 98 SER HB2 H 1 3.72 0.020 . . . . . . A 174 SER HB2 . 31034 1 766 . 1 . 1 98 98 SER HB3 H 1 3.72 0.020 . . . . . . A 174 SER HB3 . 31034 1 767 . 1 . 1 98 98 SER C C 13 180.21 0.050 . 1 . . . . A 174 SER C . 31034 1 768 . 1 . 1 98 98 SER CA C 13 57.34 0.050 . 1 . . . . A 174 SER CA . 31034 1 769 . 1 . 1 98 98 SER CB C 13 64.69 0.050 . 1 . . . . A 174 SER CB . 31034 1 770 . 1 . 1 98 98 SER N N 15 116.89 0.030 . 1 . . . . A 174 SER N . 31034 1 771 . 1 . 1 99 99 ASP H H 1 7.31 0.010 . 1 . . . . A 175 ASP H . 31034 1 772 . 1 . 1 99 99 ASP HA H 1 4.56 0.020 . 1 . . . . A 175 ASP HA . 31034 1 773 . 1 . 1 99 99 ASP C C 13 178.09 0.050 . 1 . . . . A 175 ASP C . 31034 1 774 . 1 . 1 99 99 ASP CA C 13 51.67 0.050 . 1 . . . . A 175 ASP CA . 31034 1 775 . 1 . 1 99 99 ASP CB C 13 40.89 0.050 . 1 . . . . A 175 ASP CB . 31034 1 776 . 1 . 1 99 99 ASP N N 15 121.82 0.030 . 1 . . . . A 175 ASP N . 31034 1 777 . 1 . 1 100 100 ILE H H 1 8.52 0.010 . 1 . . . . A 176 ILE H . 31034 1 778 . 1 . 1 100 100 ILE HA H 1 3.75 0.020 . 1 . . . . A 176 ILE HA . 31034 1 779 . 1 . 1 100 100 ILE HG21 H 1 0.90 0.020 . 1 . . . . A 176 ILE HG21 . 31034 1 780 . 1 . 1 100 100 ILE HG22 H 1 0.90 0.020 . 1 . . . . A 176 ILE HG22 . 31034 1 781 . 1 . 1 100 100 ILE HG23 H 1 0.90 0.020 . 1 . . . . A 176 ILE HG23 . 31034 1 782 . 1 . 1 100 100 ILE HD11 H 1 0.45 0.020 . 1 . . . . A 176 ILE HD11 . 31034 1 783 . 1 . 1 100 100 ILE HD12 H 1 0.45 0.020 . 1 . . . . A 176 ILE HD12 . 31034 1 784 . 1 . 1 100 100 ILE HD13 H 1 0.45 0.020 . 1 . . . . A 176 ILE HD13 . 31034 1 785 . 1 . 1 100 100 ILE C C 13 174.17 0.050 . 1 . . . . A 176 ILE C . 31034 1 786 . 1 . 1 100 100 ILE CA C 13 62.02 0.050 . 1 . . . . A 176 ILE CA . 31034 1 787 . 1 . 1 100 100 ILE CB C 13 37.71 0.050 . 1 . . . . A 176 ILE CB . 31034 1 788 . 1 . 1 100 100 ILE CG2 C 13 18.81 0.020 . 1 . . . . A 176 ILE CG2 . 31034 1 789 . 1 . 1 100 100 ILE CD1 C 13 14.62 0.020 . 1 . . . . A 176 ILE CD1 . 31034 1 790 . 1 . 1 100 100 ILE N N 15 115.47 0.030 . 1 . . . . A 176 ILE N . 31034 1 791 . 1 . 1 101 101 GLU H H 1 7.68 0.010 . 1 . . . . A 177 GLU H . 31034 1 792 . 1 . 1 101 101 GLU HA H 1 4.50 0.020 . 1 . . . . A 177 GLU HA . 31034 1 793 . 1 . 1 101 101 GLU C C 13 175.38 0.050 . 1 . . . . A 177 GLU C . 31034 1 794 . 1 . 1 101 101 GLU CA C 13 54.24 0.050 . 1 . . . . A 177 GLU CA . 31034 1 795 . 1 . 1 101 101 GLU CB C 13 31.48 0.050 . 1 . . . . A 177 GLU CB . 31034 1 796 . 1 . 1 101 101 GLU N N 15 122.80 0.030 . 1 . . . . A 177 GLU N . 31034 1 797 . 1 . 1 102 102 CYS H H 1 8.50 0.010 . 1 . . . . A 178 CYS H . 31034 1 798 . 1 . 1 102 102 CYS HA H 1 4.79 0.020 . 1 . . . . A 178 CYS HA . 31034 1 799 . 1 . 1 102 102 CYS C C 13 173.88 0.050 . 1 . . . . A 178 CYS C . 31034 1 800 . 1 . 1 102 102 CYS CA C 13 53.37 0.050 . 1 . . . . A 178 CYS CA . 31034 1 801 . 1 . 1 102 102 CYS CB C 13 44.24 0.050 . 1 . . . . A 178 CYS CB . 31034 1 802 . 1 . 1 102 102 CYS N N 15 124.55 0.030 . 1 . . . . A 178 CYS N . 31034 1 803 . 1 . 1 103 103 VAL H H 1 8.99 0.010 . 1 . . . . A 179 VAL H . 31034 1 804 . 1 . 1 103 103 VAL HB H 1 2.20 0.020 . 1 . . . . A 179 VAL HB . 31034 1 805 . 1 . 1 103 103 VAL HG11 H 1 0.77 0.010 . . . . . . A 179 VAL HG11 . 31034 1 806 . 1 . 1 103 103 VAL HG12 H 1 0.77 0.010 . . . . . . A 179 VAL HG12 . 31034 1 807 . 1 . 1 103 103 VAL HG13 H 1 0.77 0.010 . . . . . . A 179 VAL HG13 . 31034 1 808 . 1 . 1 103 103 VAL HG21 H 1 0.85 0.010 . . . . . . A 179 VAL HG21 . 31034 1 809 . 1 . 1 103 103 VAL HG22 H 1 0.85 0.010 . . . . . . A 179 VAL HG22 . 31034 1 810 . 1 . 1 103 103 VAL HG23 H 1 0.85 0.010 . . . . . . A 179 VAL HG23 . 31034 1 811 . 1 . 1 103 103 VAL C C 13 175.19 0.050 . 1 . . . . A 179 VAL C . 31034 1 812 . 1 . 1 103 103 VAL CA C 13 58.93 0.050 . 1 . . . . A 179 VAL CA . 31034 1 813 . 1 . 1 103 103 VAL CB C 13 35.28 0.050 . 1 . . . . A 179 VAL CB . 31034 1 814 . 1 . 1 103 103 VAL CG1 C 13 19.72 0.020 . . . . . . A 179 VAL CG1 . 31034 1 815 . 1 . 1 103 103 VAL CG2 C 13 21.56 0.020 . . . . . . A 179 VAL CG2 . 31034 1 816 . 1 . 1 103 103 VAL N N 15 118.10 0.030 . 1 . . . . A 179 VAL N . 31034 1 817 . 1 . 1 104 104 HIS H H 1 8.63 0.010 . 1 . . . . A 180 HIS H . 31034 1 818 . 1 . 1 104 104 HIS C C 13 176.16 0.050 . 1 . . . . A 180 HIS C . 31034 1 819 . 1 . 1 104 104 HIS CA C 13 57.87 0.050 . 1 . . . . A 180 HIS CA . 31034 1 820 . 1 . 1 104 104 HIS CB C 13 30.58 0.050 . 1 . . . . A 180 HIS CB . 31034 1 821 . 1 . 1 104 104 HIS N N 15 122.80 0.030 . 1 . . . . A 180 HIS N . 31034 1 822 . 1 . 1 105 105 LYS H H 1 8.30 0.010 . 1 . . . . A 181 LYS H . 31034 1 823 . 1 . 1 105 105 LYS C C 13 176.38 0.050 . 1 . . . . A 181 LYS C . 31034 1 824 . 1 . 1 105 105 LYS CA C 13 57.08 0.050 . 1 . . . . A 181 LYS CA . 31034 1 825 . 1 . 1 105 105 LYS CB C 13 32.66 0.050 . 1 . . . . A 181 LYS CB . 31034 1 826 . 1 . 1 105 105 LYS N N 15 124.11 0.030 . 1 . . . . A 181 LYS N . 31034 1 827 . 1 . 1 106 106 GLU H H 1 8.75 0.010 . 1 . . . . A 182 GLU H . 31034 1 828 . 1 . 1 106 106 GLU C C 13 176.27 0.050 . 1 . . . . A 182 GLU C . 31034 1 829 . 1 . 1 106 106 GLU CA C 13 56.42 0.050 . 1 . . . . A 182 GLU CA . 31034 1 830 . 1 . 1 106 106 GLU CB C 13 29.49 0.050 . 1 . . . . A 182 GLU CB . 31034 1 831 . 1 . 1 106 106 GLU N N 15 121.93 0.030 . 1 . . . . A 182 GLU N . 31034 1 stop_ save_