data_27931 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27931 _Entry.Title ; Unfolded ZnF in FUS (371-526) prion-like domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-05-29 _Entry.Accession_date 2019-05-29 _Entry.Last_release_date 2019-05-30 _Entry.Original_release_date 2019-05-30 _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 _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 'Unfolded ZnF in FUS (371-526) prion-like domain' _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 Jianxing Song . . . . 27931 2 'Liang Zhong' Lim . . . . 27931 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27931 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 223 27931 '15N chemical shifts' 112 27931 '1H chemical shifts' 268 27931 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 . . 2022-04-04 2019-05-29 update BMRB 'update Polymer_type' 27931 1 . . 2020-09-28 2019-05-29 original author 'original release' 27931 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27932 'FUS (371-526) (Folded)' 27931 stop_ save_ ############### # Citations # ############### save_Citation_1 _Citation.Sf_category citations _Citation.Sf_framecode Citation_1 _Citation.Entry_ID 27931 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31188823 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A unified mechanism for LLPS of ALS/FTLD-causing FUS as well as its modulation by ATP and oligonucleic acids ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS Biol.' _Citation.Journal_name_full 'PLoS biology' _Citation.Journal_volume 17 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1545-7885 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first e3000327 _Citation.Page_last e3000327 _Citation.Year 2019 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jian Kang J. . . . 27931 1 2 Liangzhong Lim L. . . . 27931 1 3 Yimei Lu Y. . . . 27931 1 4 Jianxing Song J. . . . 27931 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'C-terminal domain' 27931 1 FUS 27931 1 ZnF 27931 1 'prion-like domain' 27931 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27931 _Assembly.ID 1 _Assembly.Name 'FUS (371-526)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'FUS (371-526)' 1 $Unfolded_FUS_(371-526) A . yes native no no . . . 27931 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Unfolded_FUS_(371-526) _Entity.Sf_category entity _Entity.Sf_framecode Unfolded_FUS_(371-526) _Entity.Entry_ID 27931 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Unfolded_FUS_(371-526) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; RRADFNRGGGNGRGGRGRGG PMGRGGYGGGGSGGGGRGGF PSGGGGGGGQQRAGDWKCPN PTCENMNFSWRNECNQCKAP KPDGPGGGPGGSHMGGNYGD DRRGGRGGYDRGGYRGRGGD RGGFRGGRGGGDRGGFGPGK MDSRGEHRQDRRERPYLEHH HHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 164 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'FUS (371-526)' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'FUS (371-526) with unfolded ZnF' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . ARG . 27931 1 2 . ARG . 27931 1 3 . ALA . 27931 1 4 . ASP . 27931 1 5 . PHE . 27931 1 6 . ASN . 27931 1 7 . ARG . 27931 1 8 . GLY . 27931 1 9 . GLY . 27931 1 10 . GLY . 27931 1 11 . ASN . 27931 1 12 . GLY . 27931 1 13 . ARG . 27931 1 14 . GLY . 27931 1 15 . GLY . 27931 1 16 . ARG . 27931 1 17 . GLY . 27931 1 18 . ARG . 27931 1 19 . GLY . 27931 1 20 . GLY . 27931 1 21 . PRO . 27931 1 22 . MET . 27931 1 23 . GLY . 27931 1 24 . ARG . 27931 1 25 . GLY . 27931 1 26 . GLY . 27931 1 27 . TYR . 27931 1 28 . GLY . 27931 1 29 . GLY . 27931 1 30 . GLY . 27931 1 31 . GLY . 27931 1 32 . SER . 27931 1 33 . GLY . 27931 1 34 . GLY . 27931 1 35 . GLY . 27931 1 36 . GLY . 27931 1 37 . ARG . 27931 1 38 . GLY . 27931 1 39 . GLY . 27931 1 40 . PHE . 27931 1 41 . PRO . 27931 1 42 . SER . 27931 1 43 . GLY . 27931 1 44 . GLY . 27931 1 45 . GLY . 27931 1 46 . GLY . 27931 1 47 . GLY . 27931 1 48 . GLY . 27931 1 49 . GLY . 27931 1 50 . GLN . 27931 1 51 . GLN . 27931 1 52 . ARG . 27931 1 53 . ALA . 27931 1 54 . GLY . 27931 1 55 . ASP . 27931 1 56 . TRP . 27931 1 57 . LYS . 27931 1 58 . CYS . 27931 1 59 . PRO . 27931 1 60 . ASN . 27931 1 61 . PRO . 27931 1 62 . THR . 27931 1 63 . CYS . 27931 1 64 . GLU . 27931 1 65 . ASN . 27931 1 66 . MET . 27931 1 67 . ASN . 27931 1 68 . PHE . 27931 1 69 . SER . 27931 1 70 . TRP . 27931 1 71 . ARG . 27931 1 72 . ASN . 27931 1 73 . GLU . 27931 1 74 . CYS . 27931 1 75 . ASN . 27931 1 76 . GLN . 27931 1 77 . CYS . 27931 1 78 . LYS . 27931 1 79 . ALA . 27931 1 80 . PRO . 27931 1 81 . LYS . 27931 1 82 . PRO . 27931 1 83 . ASP . 27931 1 84 . GLY . 27931 1 85 . PRO . 27931 1 86 . GLY . 27931 1 87 . GLY . 27931 1 88 . GLY . 27931 1 89 . PRO . 27931 1 90 . GLY . 27931 1 91 . GLY . 27931 1 92 . SER . 27931 1 93 . HIS . 27931 1 94 . MET . 27931 1 95 . GLY . 27931 1 96 . GLY . 27931 1 97 . ASN . 27931 1 98 . TYR . 27931 1 99 . GLY . 27931 1 100 . ASP . 27931 1 101 . ASP . 27931 1 102 . ARG . 27931 1 103 . ARG . 27931 1 104 . GLY . 27931 1 105 . GLY . 27931 1 106 . ARG . 27931 1 107 . GLY . 27931 1 108 . GLY . 27931 1 109 . TYR . 27931 1 110 . ASP . 27931 1 111 . ARG . 27931 1 112 . GLY . 27931 1 113 . GLY . 27931 1 114 . TYR . 27931 1 115 . ARG . 27931 1 116 . GLY . 27931 1 117 . ARG . 27931 1 118 . GLY . 27931 1 119 . GLY . 27931 1 120 . ASP . 27931 1 121 . ARG . 27931 1 122 . GLY . 27931 1 123 . GLY . 27931 1 124 . PHE . 27931 1 125 . ARG . 27931 1 126 . GLY . 27931 1 127 . GLY . 27931 1 128 . ARG . 27931 1 129 . GLY . 27931 1 130 . GLY . 27931 1 131 . GLY . 27931 1 132 . ASP . 27931 1 133 . ARG . 27931 1 134 . GLY . 27931 1 135 . GLY . 27931 1 136 . PHE . 27931 1 137 . GLY . 27931 1 138 . PRO . 27931 1 139 . GLY . 27931 1 140 . LYS . 27931 1 141 . MET . 27931 1 142 . ASP . 27931 1 143 . SER . 27931 1 144 . ARG . 27931 1 145 . GLY . 27931 1 146 . GLU . 27931 1 147 . HIS . 27931 1 148 . ARG . 27931 1 149 . GLN . 27931 1 150 . ASP . 27931 1 151 . ARG . 27931 1 152 . ARG . 27931 1 153 . GLU . 27931 1 154 . ARG . 27931 1 155 . PRO . 27931 1 156 . TYR . 27931 1 157 . LEU . 27931 1 158 . GLU . 27931 1 159 . HIS . 27931 1 160 . HIS . 27931 1 161 . HIS . 27931 1 162 . HIS . 27931 1 163 . HIS . 27931 1 164 . HIS . 27931 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 . ARG 1 1 27931 1 . ARG 2 2 27931 1 . ALA 3 3 27931 1 . ASP 4 4 27931 1 . PHE 5 5 27931 1 . ASN 6 6 27931 1 . ARG 7 7 27931 1 . GLY 8 8 27931 1 . GLY 9 9 27931 1 . GLY 10 10 27931 1 . ASN 11 11 27931 1 . GLY 12 12 27931 1 . ARG 13 13 27931 1 . GLY 14 14 27931 1 . GLY 15 15 27931 1 . ARG 16 16 27931 1 . GLY 17 17 27931 1 . ARG 18 18 27931 1 . GLY 19 19 27931 1 . GLY 20 20 27931 1 . PRO 21 21 27931 1 . MET 22 22 27931 1 . GLY 23 23 27931 1 . ARG 24 24 27931 1 . GLY 25 25 27931 1 . GLY 26 26 27931 1 . TYR 27 27 27931 1 . GLY 28 28 27931 1 . GLY 29 29 27931 1 . GLY 30 30 27931 1 . GLY 31 31 27931 1 . SER 32 32 27931 1 . GLY 33 33 27931 1 . GLY 34 34 27931 1 . GLY 35 35 27931 1 . GLY 36 36 27931 1 . ARG 37 37 27931 1 . GLY 38 38 27931 1 . GLY 39 39 27931 1 . PHE 40 40 27931 1 . PRO 41 41 27931 1 . SER 42 42 27931 1 . GLY 43 43 27931 1 . GLY 44 44 27931 1 . GLY 45 45 27931 1 . GLY 46 46 27931 1 . GLY 47 47 27931 1 . GLY 48 48 27931 1 . GLY 49 49 27931 1 . GLN 50 50 27931 1 . GLN 51 51 27931 1 . ARG 52 52 27931 1 . ALA 53 53 27931 1 . GLY 54 54 27931 1 . ASP 55 55 27931 1 . TRP 56 56 27931 1 . LYS 57 57 27931 1 . CYS 58 58 27931 1 . PRO 59 59 27931 1 . ASN 60 60 27931 1 . PRO 61 61 27931 1 . THR 62 62 27931 1 . CYS 63 63 27931 1 . GLU 64 64 27931 1 . ASN 65 65 27931 1 . MET 66 66 27931 1 . ASN 67 67 27931 1 . PHE 68 68 27931 1 . SER 69 69 27931 1 . TRP 70 70 27931 1 . ARG 71 71 27931 1 . ASN 72 72 27931 1 . GLU 73 73 27931 1 . CYS 74 74 27931 1 . ASN 75 75 27931 1 . GLN 76 76 27931 1 . CYS 77 77 27931 1 . LYS 78 78 27931 1 . ALA 79 79 27931 1 . PRO 80 80 27931 1 . LYS 81 81 27931 1 . PRO 82 82 27931 1 . ASP 83 83 27931 1 . GLY 84 84 27931 1 . PRO 85 85 27931 1 . GLY 86 86 27931 1 . GLY 87 87 27931 1 . GLY 88 88 27931 1 . PRO 89 89 27931 1 . GLY 90 90 27931 1 . GLY 91 91 27931 1 . SER 92 92 27931 1 . HIS 93 93 27931 1 . MET 94 94 27931 1 . GLY 95 95 27931 1 . GLY 96 96 27931 1 . ASN 97 97 27931 1 . TYR 98 98 27931 1 . GLY 99 99 27931 1 . ASP 100 100 27931 1 . ASP 101 101 27931 1 . ARG 102 102 27931 1 . ARG 103 103 27931 1 . GLY 104 104 27931 1 . GLY 105 105 27931 1 . ARG 106 106 27931 1 . GLY 107 107 27931 1 . GLY 108 108 27931 1 . TYR 109 109 27931 1 . ASP 110 110 27931 1 . ARG 111 111 27931 1 . GLY 112 112 27931 1 . GLY 113 113 27931 1 . TYR 114 114 27931 1 . ARG 115 115 27931 1 . GLY 116 116 27931 1 . ARG 117 117 27931 1 . GLY 118 118 27931 1 . GLY 119 119 27931 1 . ASP 120 120 27931 1 . ARG 121 121 27931 1 . GLY 122 122 27931 1 . GLY 123 123 27931 1 . PHE 124 124 27931 1 . ARG 125 125 27931 1 . GLY 126 126 27931 1 . GLY 127 127 27931 1 . ARG 128 128 27931 1 . GLY 129 129 27931 1 . GLY 130 130 27931 1 . GLY 131 131 27931 1 . ASP 132 132 27931 1 . ARG 133 133 27931 1 . GLY 134 134 27931 1 . GLY 135 135 27931 1 . PHE 136 136 27931 1 . GLY 137 137 27931 1 . PRO 138 138 27931 1 . GLY 139 139 27931 1 . LYS 140 140 27931 1 . MET 141 141 27931 1 . ASP 142 142 27931 1 . SER 143 143 27931 1 . ARG 144 144 27931 1 . GLY 145 145 27931 1 . GLU 146 146 27931 1 . HIS 147 147 27931 1 . ARG 148 148 27931 1 . GLN 149 149 27931 1 . ASP 150 150 27931 1 . ARG 151 151 27931 1 . ARG 152 152 27931 1 . GLU 153 153 27931 1 . ARG 154 154 27931 1 . PRO 155 155 27931 1 . TYR 156 156 27931 1 . LEU 157 157 27931 1 . GLU 158 158 27931 1 . HIS 159 159 27931 1 . HIS 160 160 27931 1 . HIS 161 161 27931 1 . HIS 162 162 27931 1 . HIS 163 163 27931 1 . HIS 164 164 27931 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 27931 _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 $Unfolded_FUS_(371-526) . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 27931 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 27931 _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 $Unfolded_FUS_(371-526) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28a . . . 27931 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27931 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Unfolded FUS (371-526)' '[U-100% 13C; U-100% 15N]' . . 1 $Unfolded_FUS_(371-526) . . 500 . . uM . . . . 27931 1 2 'sodium phosphate' 'natural abundance' . . . . . . 5 . . mM . . . . 27931 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27931 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details '5 mM sodium phosphate buffer at pH 6.0' 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' 10 . mM 27931 1 pH 6 . pH 27931 1 pressure 1 . atm 27931 1 temperature 295 . K 27931 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 27931 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27931 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 27931 1 processing . 27931 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27931 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _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 27931 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AMX . 800 . . . 27931 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 27931 _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 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27931 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27931 1 3 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27931 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27931 1 5 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27931 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27931 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27931 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27931 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27931 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . 27931 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27931 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCACB' . . . 27931 1 2 '3D CBCA(CO)NH' . . . 27931 1 3 '3D HCCH-TOCSY' . . . 27931 1 4 '3D 1H-15N NOESY' . . . 27931 1 5 '3D H(CCO)NH' . . . 27931 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRView . . 27931 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 ARG HA H 1 4.2275 . . . . . . . . 1 ARG HA . 27931 1 2 . 1 . 1 1 1 ARG CA C 13 55.36 . . . . . . . . 1 ARG CA . 27931 1 3 . 1 . 1 1 1 ARG CB C 13 32.14 . . . . . . . . 1 ARG CB . 27931 1 4 . 1 . 1 2 2 ARG H H 1 8.748 . . . . . . . . 2 ARG H . 27931 1 5 . 1 . 1 2 2 ARG HA H 1 4.2275 . . . . . . . . 2 ARG HA . 27931 1 6 . 1 . 1 2 2 ARG CA C 13 56.275 . . . . . . . . 2 ARG CA . 27931 1 7 . 1 . 1 2 2 ARG CB C 13 31.084 . . . . . . . . 2 ARG CB . 27931 1 8 . 1 . 1 2 2 ARG N N 15 124.741 . . . . . . . . 2 ARG N . 27931 1 9 . 1 . 1 3 3 ALA H H 1 8.355 . . . . . . . . 3 ALA H . 27931 1 10 . 1 . 1 3 3 ALA HA H 1 4.3638 . . . . . . . . 3 ALA HA . 27931 1 11 . 1 . 1 3 3 ALA CA C 13 53.034 . . . . . . . . 3 ALA CA . 27931 1 12 . 1 . 1 3 3 ALA CB C 13 19.468 . . . . . . . . 3 ALA CB . 27931 1 13 . 1 . 1 3 3 ALA N N 15 125.681 . . . . . . . . 3 ALA N . 27931 1 14 . 1 . 1 4 4 ASP H H 1 8.166 . . . . . . . . 4 ASP H . 27931 1 15 . 1 . 1 4 4 ASP HA H 1 4.5196 . . . . . . . . 4 ASP HA . 27931 1 16 . 1 . 1 4 4 ASP CA C 13 54.416 . . . . . . . . 4 ASP CA . 27931 1 17 . 1 . 1 4 4 ASP CB C 13 41.337 . . . . . . . . 4 ASP CB . 27931 1 18 . 1 . 1 4 4 ASP N N 15 119.113 . . . . . . . . 4 ASP N . 27931 1 19 . 1 . 1 5 5 PHE H H 1 8.029 . . . . . . . . 5 PHE H . 27931 1 20 . 1 . 1 5 5 PHE HA H 1 4.6075 . . . . . . . . 5 PHE HA . 27931 1 21 . 1 . 1 5 5 PHE CA C 13 58.274 . . . . . . . . 5 PHE CA . 27931 1 22 . 1 . 1 5 5 PHE CB C 13 39.485 . . . . . . . . 5 PHE CB . 27931 1 23 . 1 . 1 5 5 PHE N N 15 120.493 . . . . . . . . 5 PHE N . 27931 1 24 . 1 . 1 6 6 ASN H H 1 8.339 . . . . . . . . 6 ASN H . 27931 1 25 . 1 . 1 6 6 ASN HA H 1 4.6103 . . . . . . . . 6 ASN HA . 27931 1 26 . 1 . 1 6 6 ASN CA C 13 53.482 . . . . . . . . 6 ASN CA . 27931 1 27 . 1 . 1 6 6 ASN CB C 13 39.067 . . . . . . . . 6 ASN CB . 27931 1 28 . 1 . 1 6 6 ASN N N 15 120.296 . . . . . . . . 6 ASN N . 27931 1 29 . 1 . 1 7 7 ARG H H 1 8.197 . . . . . . . . 7 ARG H . 27931 1 30 . 1 . 1 7 7 ARG HA H 1 4.259 . . . . . . . . 7 ARG HA . 27931 1 31 . 1 . 1 7 7 ARG CA C 13 56.703 . . . . . . . . 7 ARG CA . 27931 1 32 . 1 . 1 7 7 ARG CB C 13 30.724 . . . . . . . . 7 ARG CB . 27931 1 33 . 1 . 1 7 7 ARG N N 15 121.705 . . . . . . . . 7 ARG N . 27931 1 34 . 1 . 1 8 8 GLY H H 1 8.341 . . . . . . . . 8 GLY H . 27931 1 35 . 1 . 1 8 8 GLY HA2 H 1 3.9154 . . . . . . . . 8 GLY HA . 27931 1 36 . 1 . 1 8 8 GLY HA3 H 1 3.9154 . . . . . . . . 8 GLY HA . 27931 1 37 . 1 . 1 8 8 GLY CA C 13 45.672 . . . . . . . . 8 GLY CA . 27931 1 38 . 1 . 1 8 8 GLY N N 15 109.263 . . . . . . . . 8 GLY N . 27931 1 39 . 1 . 1 10 10 GLY H H 1 8.318 . . . . . . . . 10 GLY H . 27931 1 40 . 1 . 1 10 10 GLY HA2 H 1 3.9367 . . . . . . . . 10 GLY HA . 27931 1 41 . 1 . 1 10 10 GLY HA3 H 1 3.9367 . . . . . . . . 10 GLY HA . 27931 1 42 . 1 . 1 10 10 GLY CA C 13 45.476 . . . . . . . . 10 GLY CA . 27931 1 43 . 1 . 1 10 10 GLY N N 15 108.818 . . . . . . . . 10 GLY N . 27931 1 44 . 1 . 1 11 11 ASN H H 1 8.282 . . . . . . . . 11 ASN H . 27931 1 45 . 1 . 1 11 11 ASN HA H 1 4.675 . . . . . . . . 11 ASN HA . 27931 1 46 . 1 . 1 11 11 ASN CA C 13 53.33 . . . . . . . . 11 ASN CA . 27931 1 47 . 1 . 1 11 11 ASN CB C 13 39.023 . . . . . . . . 11 ASN CB . 27931 1 48 . 1 . 1 11 11 ASN N N 15 118.661 . . . . . . . . 11 ASN N . 27931 1 49 . 1 . 1 12 12 GLY H H 1 8.424 . . . . . . . . 12 GLY H . 27931 1 50 . 1 . 1 12 12 GLY HA2 H 1 3.9099 . . . . . . . . 12 GLY HA . 27931 1 51 . 1 . 1 12 12 GLY HA3 H 1 3.9099 . . . . . . . . 12 GLY HA . 27931 1 52 . 1 . 1 12 12 GLY CA C 13 45.772 . . . . . . . . 12 GLY CA . 27931 1 53 . 1 . 1 12 12 GLY N N 15 109.172 . . . . . . . . 12 GLY N . 27931 1 54 . 1 . 1 13 13 ARG H H 1 8.191 . . . . . . . . 13 ARG H . 27931 1 55 . 1 . 1 13 13 ARG HA H 1 4.2049 . . . . . . . . 13 ARG HA . 27931 1 56 . 1 . 1 13 13 ARG CA C 13 56.447 . . . . . . . . 13 ARG CA . 27931 1 57 . 1 . 1 13 13 ARG CB C 13 30.677 . . . . . . . . 13 ARG CB . 27931 1 58 . 1 . 1 13 13 ARG N N 15 120.362 . . . . . . . . 13 ARG N . 27931 1 59 . 1 . 1 14 14 GLY H H 1 8.371 . . . . . . . . 14 GLY H . 27931 1 60 . 1 . 1 14 14 GLY HA2 H 1 3.8893 . . . . . . . . 14 GLY HA . 27931 1 61 . 1 . 1 14 14 GLY HA3 H 1 3.8893 . . . . . . . . 14 GLY HA . 27931 1 62 . 1 . 1 14 14 GLY CA C 13 45.63 . . . . . . . . 14 GLY CA . 27931 1 63 . 1 . 1 14 14 GLY N N 15 109.329 . . . . . . . . 14 GLY N . 27931 1 64 . 1 . 1 16 16 ARG H H 1 8.346 . . . . . . . . 16 ARG H . 27931 1 65 . 1 . 1 16 16 ARG HA H 1 4.2901 . . . . . . . . 16 ARG HA . 27931 1 66 . 1 . 1 16 16 ARG CA C 13 56.3645 . . . . . . . . 16 ARG CA . 27931 1 67 . 1 . 1 16 16 ARG CB C 13 30.6379 . . . . . . . . 16 ARG CB . 27931 1 68 . 1 . 1 16 16 ARG N N 15 121.9234 . . . . . . . . 16 ARG N . 27931 1 69 . 1 . 1 18 18 ARG H H 1 8.54 . . . . . . . . 18 ARG H . 27931 1 70 . 1 . 1 18 18 ARG HA H 1 4.2265 . . . . . . . . 18 ARG HA . 27931 1 71 . 1 . 1 18 18 ARG CA C 13 56.547 . . . . . . . . 18 ARG CA . 27931 1 72 . 1 . 1 18 18 ARG CB C 13 31.019 . . . . . . . . 18 ARG CB . 27931 1 73 . 1 . 1 18 18 ARG N N 15 124.369 . . . . . . . . 18 ARG N . 27931 1 74 . 1 . 1 21 21 PRO CA C 13 62.914 . . . . . . . . 21 PRO CA . 27931 1 75 . 1 . 1 21 21 PRO CB C 13 32.264 . . . . . . . . 21 PRO CB . 27931 1 76 . 1 . 1 22 22 MET H H 1 8.685 . . . . . . . . 22 MET H . 27931 1 77 . 1 . 1 22 22 MET HA H 1 4.4901 . . . . . . . . 22 MET HA . 27931 1 78 . 1 . 1 22 22 MET CA C 13 56.127 . . . . . . . . 22 MET CA . 27931 1 79 . 1 . 1 22 22 MET CB C 13 32.828 . . . . . . . . 22 MET CB . 27931 1 80 . 1 . 1 22 22 MET N N 15 121.079 . . . . . . . . 22 MET N . 27931 1 81 . 1 . 1 23 23 GLY H H 1 8.259 . . . . . . . . 23 GLY H . 27931 1 82 . 1 . 1 23 23 GLY HA2 H 1 3.9305 . . . . . . . . 23 GLY HA . 27931 1 83 . 1 . 1 23 23 GLY HA3 H 1 3.9305 . . . . . . . . 23 GLY HA . 27931 1 84 . 1 . 1 23 23 GLY CA C 13 45.544 . . . . . . . . 23 GLY CA . 27931 1 85 . 1 . 1 23 23 GLY N N 15 109.72 . . . . . . . . 23 GLY N . 27931 1 86 . 1 . 1 24 24 ARG H H 1 8.244 . . . . . . . . 24 ARG H . 27931 1 87 . 1 . 1 24 24 ARG HA H 1 4.2407 . . . . . . . . 24 ARG HA . 27931 1 88 . 1 . 1 24 24 ARG CA C 13 56.626 . . . . . . . . 24 ARG CA . 27931 1 89 . 1 . 1 24 24 ARG CB C 13 30.181 . . . . . . . . 24 ARG CB . 27931 1 90 . 1 . 1 24 24 ARG N N 15 120.798 . . . . . . . . 24 ARG N . 27931 1 91 . 1 . 1 27 27 TYR CA C 13 58.578 . . . . . . . . 27 TYR CA . 27931 1 92 . 1 . 1 27 27 TYR CB C 13 38.822 . . . . . . . . 27 TYR CB . 27931 1 93 . 1 . 1 28 28 GLY H H 1 8.276 . . . . . . . . 28 GLY H . 27931 1 94 . 1 . 1 28 28 GLY HA2 H 1 3.8822 . . . . . . . . 28 GLY HA . 27931 1 95 . 1 . 1 28 28 GLY HA3 H 1 3.8822 . . . . . . . . 28 GLY HA . 27931 1 96 . 1 . 1 28 28 GLY CA C 13 45.573 . . . . . . . . 28 GLY CA . 27931 1 97 . 1 . 1 28 28 GLY N N 15 110.131 . . . . . . . . 28 GLY N . 27931 1 98 . 1 . 1 31 31 GLY CA C 13 45.369 . . . . . . . . 31 GLY CA . 27931 1 99 . 1 . 1 32 32 SER H H 1 8.314 . . . . . . . . 32 SER H . 27931 1 100 . 1 . 1 32 32 SER HA H 1 4.4421 . . . . . . . . 32 SER HA . 27931 1 101 . 1 . 1 32 32 SER CA C 13 58.802 . . . . . . . . 32 SER CA . 27931 1 102 . 1 . 1 32 32 SER CB C 13 64.176 . . . . . . . . 32 SER CB . 27931 1 103 . 1 . 1 32 32 SER N N 15 115.725 . . . . . . . . 32 SER N . 27931 1 104 . 1 . 1 33 33 GLY H H 1 8.433 . . . . . . . . 33 GLY H . 27931 1 105 . 1 . 1 33 33 GLY HA2 H 1 3.9943 . . . . . . . . 33 GLY HA . 27931 1 106 . 1 . 1 33 33 GLY HA3 H 1 3.9943 . . . . . . . . 33 GLY HA . 27931 1 107 . 1 . 1 33 33 GLY CA C 13 45.615 . . . . . . . . 33 GLY CA . 27931 1 108 . 1 . 1 33 33 GLY N N 15 110.906 . . . . . . . . 33 GLY N . 27931 1 109 . 1 . 1 37 37 ARG H H 1 8.394 . . . . . . . . 37 ARG H . 27931 1 110 . 1 . 1 37 37 ARG HA H 1 4.2872 . . . . . . . . 37 ARG HA . 27931 1 111 . 1 . 1 37 37 ARG CA C 13 56.475 . . . . . . . . 37 ARG CA . 27931 1 112 . 1 . 1 37 37 ARG CB C 13 33.081 . . . . . . . . 37 ARG CB . 27931 1 113 . 1 . 1 37 37 ARG N N 15 121.306 . . . . . . . . 37 ARG N . 27931 1 114 . 1 . 1 41 41 PRO CA C 13 63.616 . . . . . . . . 41 PRO CA . 27931 1 115 . 1 . 1 41 41 PRO CB C 13 32.091 . . . . . . . . 41 PRO CB . 27931 1 116 . 1 . 1 42 42 SER H H 1 8.388 . . . . . . . . 42 SER H . 27931 1 117 . 1 . 1 42 42 SER HA H 1 4.4403 . . . . . . . . 42 SER HA . 27931 1 118 . 1 . 1 42 42 SER CA C 13 58.82 . . . . . . . . 42 SER CA . 27931 1 119 . 1 . 1 42 42 SER CB C 13 64.165 . . . . . . . . 42 SER CB . 27931 1 120 . 1 . 1 42 42 SER N N 15 116.28 . . . . . . . . 42 SER N . 27931 1 121 . 1 . 1 43 43 GLY H H 1 8.473 . . . . . . . . 43 GLY H . 27931 1 122 . 1 . 1 43 43 GLY HA2 H 1 3.9575 . . . . . . . . 43 GLY HA . 27931 1 123 . 1 . 1 43 43 GLY HA3 H 1 3.9575 . . . . . . . . 43 GLY HA . 27931 1 124 . 1 . 1 43 43 GLY CA C 13 45.583 . . . . . . . . 43 GLY CA . 27931 1 125 . 1 . 1 43 43 GLY N N 15 110.869 . . . . . . . . 43 GLY N . 27931 1 126 . 1 . 1 44 44 GLY HA2 H 1 3.8889 . . . . . . . . 44 GLY HA . 27931 1 127 . 1 . 1 44 44 GLY HA3 H 1 3.8889 . . . . . . . . 44 GLY HA . 27931 1 128 . 1 . 1 45 45 GLY H H 1 8.105 . . . . . . . . 45 GLY H . 27931 1 129 . 1 . 1 45 45 GLY HA2 H 1 3.8293 . . . . . . . . 45 GLY HA . 27931 1 130 . 1 . 1 45 45 GLY HA3 H 1 3.8293 . . . . . . . . 45 GLY HA . 27931 1 131 . 1 . 1 45 45 GLY CA C 13 41.199 . . . . . . . . 45 GLY CA . 27931 1 132 . 1 . 1 45 45 GLY N N 15 108.303 . . . . . . . . 45 GLY N . 27931 1 133 . 1 . 1 49 49 GLY CA C 13 44.794 . . . . . . . . 49 GLY CA . 27931 1 134 . 1 . 1 50 50 GLN H H 1 8.435 . . . . . . . . 50 GLN H . 27931 1 135 . 1 . 1 50 50 GLN HA H 1 4.2298 . . . . . . . . 50 GLN HA . 27931 1 136 . 1 . 1 50 50 GLN CA C 13 56.77 . . . . . . . . 50 GLN CA . 27931 1 137 . 1 . 1 50 50 GLN CB C 13 28.58 . . . . . . . . 50 GLN CB . 27931 1 138 . 1 . 1 50 50 GLN N N 15 125.536 . . . . . . . . 50 GLN N . 27931 1 139 . 1 . 1 51 51 GLN H H 1 8.434 . . . . . . . . 51 GLN H . 27931 1 140 . 1 . 1 51 51 GLN HA H 1 4.2245 . . . . . . . . 51 GLN HA . 27931 1 141 . 1 . 1 51 51 GLN CA C 13 56.674 . . . . . . . . 51 GLN CA . 27931 1 142 . 1 . 1 51 51 GLN CB C 13 28.705 . . . . . . . . 51 GLN CB . 27931 1 143 . 1 . 1 51 51 GLN N N 15 125.521 . . . . . . . . 51 GLN N . 27931 1 144 . 1 . 1 52 52 ARG H H 1 8.432 . . . . . . . . 52 ARG H . 27931 1 145 . 1 . 1 52 52 ARG HA H 1 4.2258 . . . . . . . . 52 ARG HA . 27931 1 146 . 1 . 1 52 52 ARG CA C 13 56.598 . . . . . . . . 52 ARG CA . 27931 1 147 . 1 . 1 52 52 ARG CB C 13 31.028 . . . . . . . . 52 ARG CB . 27931 1 148 . 1 . 1 52 52 ARG N N 15 125.499 . . . . . . . . 52 ARG N . 27931 1 149 . 1 . 1 53 53 ALA H H 1 8.436 . . . . . . . . 53 ALA H . 27931 1 150 . 1 . 1 53 53 ALA HA H 1 4.2242 . . . . . . . . 53 ALA HA . 27931 1 151 . 1 . 1 53 53 ALA CA C 13 52.865 . . . . . . . . 53 ALA CA . 27931 1 152 . 1 . 1 53 53 ALA CB C 13 19.324 . . . . . . . . 53 ALA CB . 27931 1 153 . 1 . 1 53 53 ALA N N 15 125.472 . . . . . . . . 53 ALA N . 27931 1 154 . 1 . 1 54 54 GLY H H 1 8.301 . . . . . . . . 54 GLY H . 27931 1 155 . 1 . 1 54 54 GLY HA2 H 1 3.8404 . . . . . . . . 54 GLY HA . 27931 1 156 . 1 . 1 54 54 GLY HA3 H 1 3.8404 . . . . . . . . 54 GLY HA . 27931 1 157 . 1 . 1 54 54 GLY CA C 13 45.559 . . . . . . . . 54 GLY CA . 27931 1 158 . 1 . 1 54 54 GLY N N 15 108.09 . . . . . . . . 54 GLY N . 27931 1 159 . 1 . 1 55 55 ASP H H 1 8.071 . . . . . . . . 55 ASP H . 27931 1 160 . 1 . 1 55 55 ASP HA H 1 4.8267 . . . . . . . . 55 ASP HA . 27931 1 161 . 1 . 1 55 55 ASP CA C 13 54.325 . . . . . . . . 55 ASP CA . 27931 1 162 . 1 . 1 55 55 ASP CB C 13 41.176 . . . . . . . . 55 ASP CB . 27931 1 163 . 1 . 1 55 55 ASP N N 15 120.315 . . . . . . . . 55 ASP N . 27931 1 164 . 1 . 1 56 56 TRP H H 1 7.946 . . . . . . . . 56 TRP H . 27931 1 165 . 1 . 1 56 56 TRP HA H 1 4.5213 . . . . . . . . 56 TRP HA . 27931 1 166 . 1 . 1 56 56 TRP CA C 13 57.845 . . . . . . . . 56 TRP CA . 27931 1 167 . 1 . 1 56 56 TRP CB C 13 29.467 . . . . . . . . 56 TRP CB . 27931 1 168 . 1 . 1 56 56 TRP N N 15 121.59 . . . . . . . . 56 TRP N . 27931 1 169 . 1 . 1 57 57 LYS H H 1 7.822 . . . . . . . . 57 LYS H . 27931 1 170 . 1 . 1 57 57 LYS HA H 1 4.1382 . . . . . . . . 57 LYS HA . 27931 1 171 . 1 . 1 57 57 LYS CA C 13 56.114 . . . . . . . . 57 LYS CA . 27931 1 172 . 1 . 1 57 57 LYS CB C 13 33.367 . . . . . . . . 57 LYS CB . 27931 1 173 . 1 . 1 57 57 LYS N N 15 123.415 . . . . . . . . 57 LYS N . 27931 1 174 . 1 . 1 58 58 CYS H H 1 8.033 . . . . . . . . 58 CYS H . 27931 1 175 . 1 . 1 58 58 CYS HA H 1 4.5216 . . . . . . . . 58 CYS HA . 27931 1 176 . 1 . 1 58 58 CYS CA C 13 56.369 . . . . . . . . 58 CYS CA . 27931 1 177 . 1 . 1 58 58 CYS CB C 13 27.506 . . . . . . . . 58 CYS CB . 27931 1 178 . 1 . 1 58 58 CYS N N 15 121.747 . . . . . . . . 58 CYS N . 27931 1 179 . 1 . 1 59 59 PRO CA C 13 63.27 . . . . . . . . 59 PRO CA . 27931 1 180 . 1 . 1 59 59 PRO CB C 13 32.094 . . . . . . . . 59 PRO CB . 27931 1 181 . 1 . 1 60 60 ASN H H 1 8.378 . . . . . . . . 60 ASN H . 27931 1 182 . 1 . 1 60 60 ASN HA H 1 4.5904 . . . . . . . . 60 ASN HA . 27931 1 183 . 1 . 1 60 60 ASN CA C 13 54.5 . . . . . . . . 60 ASN CA . 27931 1 184 . 1 . 1 60 60 ASN CB C 13 41.49 . . . . . . . . 60 ASN CB . 27931 1 185 . 1 . 1 60 60 ASN N N 15 120.578 . . . . . . . . 60 ASN N . 27931 1 186 . 1 . 1 61 61 PRO CA C 13 63.937 . . . . . . . . 61 PRO CA . 27931 1 187 . 1 . 1 61 61 PRO CB C 13 32.309 . . . . . . . . 61 PRO CB . 27931 1 188 . 1 . 1 62 62 THR H H 1 8.177 . . . . . . . . 62 THR H . 27931 1 189 . 1 . 1 62 62 THR HA H 1 4.3109 . . . . . . . . 62 THR HA . 27931 1 190 . 1 . 1 62 62 THR CA C 13 62.347 . . . . . . . . 62 THR CA . 27931 1 191 . 1 . 1 62 62 THR CB C 13 70.082 . . . . . . . . 62 THR CB . 27931 1 192 . 1 . 1 62 62 THR N N 15 113.4 . . . . . . . . 62 THR N . 27931 1 193 . 1 . 1 63 63 CYS H H 1 8.188 . . . . . . . . 63 CYS H . 27931 1 194 . 1 . 1 63 63 CYS HA H 1 4.4611 . . . . . . . . 63 CYS HA . 27931 1 195 . 1 . 1 63 63 CYS CA C 13 58.953 . . . . . . . . 63 CYS CA . 27931 1 196 . 1 . 1 63 63 CYS CB C 13 28.128 . . . . . . . . 63 CYS CB . 27931 1 197 . 1 . 1 63 63 CYS N N 15 120.625 . . . . . . . . 63 CYS N . 27931 1 198 . 1 . 1 64 64 GLU H H 1 8.424 . . . . . . . . 64 GLU H . 27931 1 199 . 1 . 1 64 64 GLU HA H 1 4.3688 . . . . . . . . 64 GLU HA . 27931 1 200 . 1 . 1 64 64 GLU CA C 13 57.31 . . . . . . . . 64 GLU CA . 27931 1 201 . 1 . 1 64 64 GLU CB C 13 30.224 . . . . . . . . 64 GLU CB . 27931 1 202 . 1 . 1 64 64 GLU N N 15 122.918 . . . . . . . . 64 GLU N . 27931 1 203 . 1 . 1 65 65 ASN H H 1 8.335 . . . . . . . . 65 ASN H . 27931 1 204 . 1 . 1 65 65 ASN HA H 1 4.6831 . . . . . . . . 65 ASN HA . 27931 1 205 . 1 . 1 65 65 ASN CA C 13 53.543 . . . . . . . . 65 ASN CA . 27931 1 206 . 1 . 1 65 65 ASN CB C 13 38.907 . . . . . . . . 65 ASN CB . 27931 1 207 . 1 . 1 65 65 ASN N N 15 118.979 . . . . . . . . 65 ASN N . 27931 1 208 . 1 . 1 66 66 MET H H 1 8.174 . . . . . . . . 66 MET H . 27931 1 209 . 1 . 1 66 66 MET HA H 1 4.5589 . . . . . . . . 66 MET HA . 27931 1 210 . 1 . 1 66 66 MET CA C 13 56.0531 . . . . . . . . 66 MET CA . 27931 1 211 . 1 . 1 66 66 MET CB C 13 32.682 . . . . . . . . 66 MET CB . 27931 1 212 . 1 . 1 66 66 MET N N 15 120.416 . . . . . . . . 66 MET N . 27931 1 213 . 1 . 1 67 67 ASN H H 1 8.214 . . . . . . . . 67 ASN H . 27931 1 214 . 1 . 1 67 67 ASN HA H 1 4.5923 . . . . . . . . 67 ASN HA . 27931 1 215 . 1 . 1 67 67 ASN CA C 13 53.5 . . . . . . . . 67 ASN CA . 27931 1 216 . 1 . 1 67 67 ASN CB C 13 38.899 . . . . . . . . 67 ASN CB . 27931 1 217 . 1 . 1 67 67 ASN N N 15 118.989 . . . . . . . . 67 ASN N . 27931 1 218 . 1 . 1 68 68 PHE H H 1 8.045 . . . . . . . . 68 PHE H . 27931 1 219 . 1 . 1 68 68 PHE HA H 1 4.5166 . . . . . . . . 68 PHE HA . 27931 1 220 . 1 . 1 68 68 PHE CA C 13 58.205 . . . . . . . . 68 PHE CA . 27931 1 221 . 1 . 1 68 68 PHE CB C 13 39.465 . . . . . . . . 68 PHE CB . 27931 1 222 . 1 . 1 68 68 PHE N N 15 120.493 . . . . . . . . 68 PHE N . 27931 1 223 . 1 . 1 69 69 SER H H 1 8.115 . . . . . . . . 69 SER H . 27931 1 224 . 1 . 1 69 69 SER HA H 1 4.3227 . . . . . . . . 69 SER HA . 27931 1 225 . 1 . 1 69 69 SER CA C 13 59.049 . . . . . . . . 69 SER CA . 27931 1 226 . 1 . 1 69 69 SER CB C 13 63.889 . . . . . . . . 69 SER CB . 27931 1 227 . 1 . 1 69 69 SER N N 15 116.96 . . . . . . . . 69 SER N . 27931 1 228 . 1 . 1 70 70 TRP H H 1 8.372 . . . . . . . . 70 TRP H . 27931 1 229 . 1 . 1 70 70 TRP HA H 1 4.2839 . . . . . . . . 70 TRP HA . 27931 1 230 . 1 . 1 70 70 TRP CA C 13 57.046 . . . . . . . . 70 TRP CA . 27931 1 231 . 1 . 1 70 70 TRP CB C 13 30.565 . . . . . . . . 70 TRP CB . 27931 1 232 . 1 . 1 70 70 TRP N N 15 122.342 . . . . . . . . 70 TRP N . 27931 1 233 . 1 . 1 71 71 ARG H H 1 7.762 . . . . . . . . 71 ARG H . 27931 1 234 . 1 . 1 71 71 ARG HA H 1 4.0823 . . . . . . . . 71 ARG HA . 27931 1 235 . 1 . 1 71 71 ARG CA C 13 56.657 . . . . . . . . 71 ARG CA . 27931 1 236 . 1 . 1 71 71 ARG CB C 13 30.776 . . . . . . . . 71 ARG CB . 27931 1 237 . 1 . 1 71 71 ARG N N 15 121.588 . . . . . . . . 71 ARG N . 27931 1 238 . 1 . 1 72 72 ASN H H 1 8.12 . . . . . . . . 72 ASN H . 27931 1 239 . 1 . 1 72 72 ASN HA H 1 4.5731 . . . . . . . . 72 ASN HA . 27931 1 240 . 1 . 1 72 72 ASN CA C 13 53.678 . . . . . . . . 72 ASN CA . 27931 1 241 . 1 . 1 72 72 ASN CB C 13 39.033 . . . . . . . . 72 ASN CB . 27931 1 242 . 1 . 1 72 72 ASN N N 15 119.091 . . . . . . . . 72 ASN N . 27931 1 243 . 1 . 1 73 73 GLU H H 1 8.416 . . . . . . . . 73 GLU H . 27931 1 244 . 1 . 1 73 73 GLU HA H 1 4.3273 . . . . . . . . 73 GLU HA . 27931 1 245 . 1 . 1 73 73 GLU CA C 13 57.541 . . . . . . . . 73 GLU CA . 27931 1 246 . 1 . 1 73 73 GLU CB C 13 29.944 . . . . . . . . 73 GLU CB . 27931 1 247 . 1 . 1 73 73 GLU N N 15 120.796 . . . . . . . . 73 GLU N . 27931 1 248 . 1 . 1 74 74 CYS H H 1 8.266 . . . . . . . . 74 CYS H . 27931 1 249 . 1 . 1 74 74 CYS HA H 1 4.4679 . . . . . . . . 74 CYS HA . 27931 1 250 . 1 . 1 74 74 CYS CA C 13 59.175 . . . . . . . . 74 CYS CA . 27931 1 251 . 1 . 1 74 74 CYS CB C 13 27.964 . . . . . . . . 74 CYS CB . 27931 1 252 . 1 . 1 74 74 CYS N N 15 119.281 . . . . . . . . 74 CYS N . 27931 1 253 . 1 . 1 75 75 ASN H H 1 8.372 . . . . . . . . 75 ASN H . 27931 1 254 . 1 . 1 75 75 ASN HA H 1 4.5868 . . . . . . . . 75 ASN HA . 27931 1 255 . 1 . 1 75 75 ASN CA C 13 53.747 . . . . . . . . 75 ASN CA . 27931 1 256 . 1 . 1 75 75 ASN CB C 13 38.976 . . . . . . . . 75 ASN CB . 27931 1 257 . 1 . 1 75 75 ASN N N 15 120.734 . . . . . . . . 75 ASN N . 27931 1 258 . 1 . 1 76 76 GLN H H 1 8.287 . . . . . . . . 76 GLN H . 27931 1 259 . 1 . 1 76 76 GLN HA H 1 4.2933 . . . . . . . . 76 GLN HA . 27931 1 260 . 1 . 1 76 76 GLN CA C 13 56.527 . . . . . . . . 76 GLN CA . 27931 1 261 . 1 . 1 76 76 GLN CB C 13 29.307 . . . . . . . . 76 GLN CB . 27931 1 262 . 1 . 1 76 76 GLN N N 15 119.995 . . . . . . . . 76 GLN N . 27931 1 263 . 1 . 1 77 77 CYS H H 1 8.296 . . . . . . . . 77 CYS H . 27931 1 264 . 1 . 1 77 77 CYS HA H 1 4.3658 . . . . . . . . 77 CYS HA . 27931 1 265 . 1 . 1 77 77 CYS CA C 13 58.929 . . . . . . . . 77 CYS CA . 27931 1 266 . 1 . 1 77 77 CYS CB C 13 27.942 . . . . . . . . 77 CYS CB . 27931 1 267 . 1 . 1 77 77 CYS N N 15 120.1381 . . . . . . . . 77 CYS N . 27931 1 268 . 1 . 1 78 78 LYS H H 1 8.311 . . . . . . . . 78 LYS H . 27931 1 269 . 1 . 1 78 78 LYS HA H 1 4.2353 . . . . . . . . 78 LYS HA . 27931 1 270 . 1 . 1 78 78 LYS CA C 13 56.253 . . . . . . . . 78 LYS CA . 27931 1 271 . 1 . 1 78 78 LYS CB C 13 33.222 . . . . . . . . 78 LYS CB . 27931 1 272 . 1 . 1 78 78 LYS N N 15 123.853 . . . . . . . . 78 LYS N . 27931 1 273 . 1 . 1 79 79 ALA H H 1 8.156 . . . . . . . . 79 ALA H . 27931 1 274 . 1 . 1 79 79 ALA HA H 1 4.5303 . . . . . . . . 79 ALA HA . 27931 1 275 . 1 . 1 79 79 ALA CA C 13 50.636 . . . . . . . . 79 ALA CA . 27931 1 276 . 1 . 1 79 79 ALA CB C 13 18.414 . . . . . . . . 79 ALA CB . 27931 1 277 . 1 . 1 79 79 ALA N N 15 126.358 . . . . . . . . 79 ALA N . 27931 1 278 . 1 . 1 80 80 PRO CA C 13 63.609 . . . . . . . . 80 PRO CA . 27931 1 279 . 1 . 1 80 80 PRO CB C 13 32.34 . . . . . . . . 80 PRO CB . 27931 1 280 . 1 . 1 81 81 LYS H H 1 8.494 . . . . . . . . 81 LYS H . 27931 1 281 . 1 . 1 81 81 LYS HA H 1 4.4311 . . . . . . . . 81 LYS HA . 27931 1 282 . 1 . 1 81 81 LYS CA C 13 55.91 . . . . . . . . 81 LYS CA . 27931 1 283 . 1 . 1 81 81 LYS CB C 13 32.99 . . . . . . . . 81 LYS CB . 27931 1 284 . 1 . 1 81 81 LYS N N 15 120.141 . . . . . . . . 81 LYS N . 27931 1 285 . 1 . 1 82 82 PRO CA C 13 63.086 . . . . . . . . 82 PRO CA . 27931 1 286 . 1 . 1 82 82 PRO CB C 13 32.878 . . . . . . . . 82 PRO CB . 27931 1 287 . 1 . 1 83 83 ASP H H 1 8.48 . . . . . . . . 83 ASP H . 27931 1 288 . 1 . 1 83 83 ASP HA H 1 4.5797 . . . . . . . . 83 ASP HA . 27931 1 289 . 1 . 1 83 83 ASP CA C 13 54.74 . . . . . . . . 83 ASP CA . 27931 1 290 . 1 . 1 83 83 ASP CB C 13 41.547 . . . . . . . . 83 ASP CB . 27931 1 291 . 1 . 1 83 83 ASP N N 15 120.709 . . . . . . . . 83 ASP N . 27931 1 292 . 1 . 1 84 84 GLY H H 1 8.066 . . . . . . . . 84 GLY H . 27931 1 293 . 1 . 1 84 84 GLY HA2 H 1 4.0764 . . . . . . . . 84 GLY HA . 27931 1 294 . 1 . 1 84 84 GLY HA3 H 1 4.0764 . . . . . . . . 84 GLY HA . 27931 1 295 . 1 . 1 84 84 GLY CA C 13 44.857 . . . . . . . . 84 GLY CA . 27931 1 296 . 1 . 1 84 84 GLY N N 15 108.673 . . . . . . . . 84 GLY N . 27931 1 297 . 1 . 1 85 85 PRO HA H 1 4.4048 . . . . . . . . 85 PRO HA . 27931 1 298 . 1 . 1 85 85 PRO CA C 13 63.95 . . . . . . . . 85 PRO CA . 27931 1 299 . 1 . 1 85 85 PRO CB C 13 32.187 . . . . . . . . 85 PRO CB . 27931 1 300 . 1 . 1 86 86 GLY H H 1 8.556 . . . . . . . . 86 GLY H . 27931 1 301 . 1 . 1 86 86 GLY HA2 H 1 3.9331 . . . . . . . . 86 GLY HA . 27931 1 302 . 1 . 1 86 86 GLY HA3 H 1 3.9331 . . . . . . . . 86 GLY HA . 27931 1 303 . 1 . 1 86 86 GLY CA C 13 45.606 . . . . . . . . 86 GLY CA . 27931 1 304 . 1 . 1 86 86 GLY N N 15 109.574 . . . . . . . . 86 GLY N . 27931 1 305 . 1 . 1 87 87 GLY H H 1 8.206 . . . . . . . . 87 GLY H . 27931 1 306 . 1 . 1 87 87 GLY HA2 H 1 3.9507 . . . . . . . . 87 GLY HA . 27931 1 307 . 1 . 1 87 87 GLY HA3 H 1 3.9507 . . . . . . . . 87 GLY HA . 27931 1 308 . 1 . 1 87 87 GLY CA C 13 45.4 . . . . . . . . 87 GLY CA . 27931 1 309 . 1 . 1 87 87 GLY N N 15 108.497 . . . . . . . . 87 GLY N . 27931 1 310 . 1 . 1 89 89 PRO HA H 1 4.3995 . . . . . . . . 89 PRO HA . 27931 1 311 . 1 . 1 89 89 PRO CA C 13 63.723 . . . . . . . . 89 PRO CA . 27931 1 312 . 1 . 1 89 89 PRO CB C 13 32.234 . . . . . . . . 89 PRO CB . 27931 1 313 . 1 . 1 90 90 GLY H H 1 8.492 . . . . . . . . 90 GLY H . 27931 1 314 . 1 . 1 90 90 GLY HA2 H 1 3.9235 . . . . . . . . 90 GLY HA . 27931 1 315 . 1 . 1 90 90 GLY HA3 H 1 3.9235 . . . . . . . . 90 GLY HA . 27931 1 316 . 1 . 1 90 90 GLY CA C 13 45.464 . . . . . . . . 90 GLY CA . 27931 1 317 . 1 . 1 90 90 GLY N N 15 109.467 . . . . . . . . 90 GLY N . 27931 1 318 . 1 . 1 91 91 GLY HA2 H 1 3.9341 . . . . . . . . 91 GLY HA . 27931 1 319 . 1 . 1 91 91 GLY HA3 H 1 3.9341 . . . . . . . . 91 GLY HA . 27931 1 320 . 1 . 1 91 91 GLY CA C 13 45.452 . . . . . . . . 91 GLY CA . 27931 1 321 . 1 . 1 92 92 SER H H 1 8.146 . . . . . . . . 92 SER H . 27931 1 322 . 1 . 1 92 92 SER HA H 1 4.367 . . . . . . . . 92 SER HA . 27931 1 323 . 1 . 1 92 92 SER CA C 13 58.744 . . . . . . . . 92 SER CA . 27931 1 324 . 1 . 1 92 92 SER CB C 13 64.148 . . . . . . . . 92 SER CB . 27931 1 325 . 1 . 1 92 92 SER N N 15 115.271 . . . . . . . . 92 SER N . 27931 1 326 . 1 . 1 93 93 HIS H H 1 8.373 . . . . . . . . 93 HIS H . 27931 1 327 . 1 . 1 93 93 HIS HA H 1 4.7669 . . . . . . . . 93 HIS HA . 27931 1 328 . 1 . 1 93 93 HIS CA C 13 56.81 . . . . . . . . 93 HIS CA . 27931 1 329 . 1 . 1 93 93 HIS CB C 13 29.89 . . . . . . . . 93 HIS CB . 27931 1 330 . 1 . 1 93 93 HIS N N 15 122.387 . . . . . . . . 93 HIS N . 27931 1 331 . 1 . 1 94 94 MET H H 1 8.357 . . . . . . . . 94 MET H . 27931 1 332 . 1 . 1 94 94 MET HA H 1 4.5995 . . . . . . . . 94 MET HA . 27931 1 333 . 1 . 1 94 94 MET CA C 13 55.993 . . . . . . . . 94 MET CA . 27931 1 334 . 1 . 1 94 94 MET CB C 13 33.019 . . . . . . . . 94 MET CB . 27931 1 335 . 1 . 1 94 94 MET N N 15 119.15 . . . . . . . . 94 MET N . 27931 1 336 . 1 . 1 95 95 GLY H H 1 8.2593 . . . . . . . . 95 GLY H . 27931 1 337 . 1 . 1 95 95 GLY HA2 H 1 3.9138 . . . . . . . . 95 GLY HA . 27931 1 338 . 1 . 1 95 95 GLY HA3 H 1 3.9138 . . . . . . . . 95 GLY HA . 27931 1 339 . 1 . 1 95 95 GLY CA C 13 45.591 . . . . . . . . 95 GLY CA . 27931 1 340 . 1 . 1 95 95 GLY N N 15 109.859 . . . . . . . . 95 GLY N . 27931 1 341 . 1 . 1 96 96 GLY H H 1 8.235 . . . . . . . . 96 GLY H . 27931 1 342 . 1 . 1 96 96 GLY HA2 H 1 3.9356 . . . . . . . . 96 GLY HA . 27931 1 343 . 1 . 1 96 96 GLY HA3 H 1 3.9356 . . . . . . . . 96 GLY HA . 27931 1 344 . 1 . 1 96 96 GLY CA C 13 45.559 . . . . . . . . 96 GLY CA . 27931 1 345 . 1 . 1 96 96 GLY N N 15 108.584 . . . . . . . . 96 GLY N . 27931 1 346 . 1 . 1 97 97 ASN H H 1 8.387 . . . . . . . . 97 ASN H . 27931 1 347 . 1 . 1 97 97 ASN HA H 1 4.7064 . . . . . . . . 97 ASN HA . 27931 1 348 . 1 . 1 97 97 ASN CA C 13 53.42 . . . . . . . . 97 ASN CA . 27931 1 349 . 1 . 1 97 97 ASN CB C 13 39.09 . . . . . . . . 97 ASN CB . 27931 1 350 . 1 . 1 97 97 ASN N N 15 118.54 . . . . . . . . 97 ASN N . 27931 1 351 . 1 . 1 98 98 TYR H H 1 8.197 . . . . . . . . 98 TYR H . 27931 1 352 . 1 . 1 98 98 TYR HA H 1 4.4719 . . . . . . . . 98 TYR HA . 27931 1 353 . 1 . 1 98 98 TYR CA C 13 58.67 . . . . . . . . 98 TYR CA . 27931 1 354 . 1 . 1 98 98 TYR CB C 13 38.903 . . . . . . . . 98 TYR CB . 27931 1 355 . 1 . 1 98 98 TYR N N 15 120.857 . . . . . . . . 98 TYR N . 27931 1 356 . 1 . 1 99 99 GLY H H 1 8.405 . . . . . . . . 99 GLY H . 27931 1 357 . 1 . 1 99 99 GLY HA2 H 1 3.8895 . . . . . . . . 99 GLY HA . 27931 1 358 . 1 . 1 99 99 GLY HA3 H 1 3.8895 . . . . . . . . 99 GLY HA . 27931 1 359 . 1 . 1 99 99 GLY CA C 13 45.569 . . . . . . . . 99 GLY CA . 27931 1 360 . 1 . 1 99 99 GLY N N 15 111.373 . . . . . . . . 99 GLY N . 27931 1 361 . 1 . 1 100 100 ASP H H 1 8.251 . . . . . . . . 100 ASP H . 27931 1 362 . 1 . 1 100 100 ASP HA H 1 4.5721 . . . . . . . . 100 ASP HA . 27931 1 363 . 1 . 1 100 100 ASP CA C 13 54.706 . . . . . . . . 100 ASP CA . 27931 1 364 . 1 . 1 100 100 ASP CB C 13 41.424 . . . . . . . . 100 ASP CB . 27931 1 365 . 1 . 1 100 100 ASP N N 15 120.344 . . . . . . . . 100 ASP N . 27931 1 366 . 1 . 1 101 101 ASP H H 1 8.355 . . . . . . . . 101 ASP H . 27931 1 367 . 1 . 1 101 101 ASP HA H 1 4.5115 . . . . . . . . 101 ASP HA . 27931 1 368 . 1 . 1 101 101 ASP CA C 13 54.748 . . . . . . . . 101 ASP CA . 27931 1 369 . 1 . 1 101 101 ASP CB C 13 41.072 . . . . . . . . 101 ASP CB . 27931 1 370 . 1 . 1 101 101 ASP N N 15 120.985 . . . . . . . . 101 ASP N . 27931 1 371 . 1 . 1 102 102 ARG H H 1 8.375 . . . . . . . . 102 ARG H . 27931 1 372 . 1 . 1 102 102 ARG HA H 1 4.285 . . . . . . . . 102 ARG HA . 27931 1 373 . 1 . 1 102 102 ARG CA C 13 56.414 . . . . . . . . 102 ARG CA . 27931 1 374 . 1 . 1 102 102 ARG CB C 13 30.548 . . . . . . . . 102 ARG CB . 27931 1 375 . 1 . 1 102 102 ARG N N 15 121.502 . . . . . . . . 102 ARG N . 27931 1 376 . 1 . 1 103 103 ARG H H 1 8.207 . . . . . . . . 103 ARG H . 27931 1 377 . 1 . 1 103 103 ARG HA H 1 4.269 . . . . . . . . 103 ARG HA . 27931 1 378 . 1 . 1 103 103 ARG CA C 13 56.721 . . . . . . . . 103 ARG CA . 27931 1 379 . 1 . 1 103 103 ARG CB C 13 30.608 . . . . . . . . 103 ARG CB . 27931 1 380 . 1 . 1 103 103 ARG N N 15 120.619 . . . . . . . . 103 ARG N . 27931 1 381 . 1 . 1 104 104 GLY H H 1 8.414 . . . . . . . . 104 GLY H . 27931 1 382 . 1 . 1 104 104 GLY HA2 H 1 3.9002 . . . . . . . . 104 GLY HA . 27931 1 383 . 1 . 1 104 104 GLY HA3 H 1 3.9002 . . . . . . . . 104 GLY HA . 27931 1 384 . 1 . 1 104 104 GLY CA C 13 45.723 . . . . . . . . 104 GLY CA . 27931 1 385 . 1 . 1 104 104 GLY N N 15 109.324 . . . . . . . . 104 GLY N . 27931 1 386 . 1 . 1 105 105 GLY HA2 H 1 3.8772 . . . . . . . . 105 GLY HA . 27931 1 387 . 1 . 1 105 105 GLY HA3 H 1 3.8772 . . . . . . . . 105 GLY HA . 27931 1 388 . 1 . 1 106 106 ARG H H 1 8.246 . . . . . . . . 106 ARG H . 27931 1 389 . 1 . 1 106 106 ARG HA H 1 4.3284 . . . . . . . . 106 ARG HA . 27931 1 390 . 1 . 1 106 106 ARG CA C 13 56.457 . . . . . . . . 106 ARG CA . 27931 1 391 . 1 . 1 106 106 ARG CB C 13 30.866 . . . . . . . . 106 ARG CB . 27931 1 392 . 1 . 1 106 106 ARG N N 15 120.654 . . . . . . . . 106 ARG N . 27931 1 393 . 1 . 1 107 107 GLY H H 1 8.415 . . . . . . . . 107 GLY H . 27931 1 394 . 1 . 1 107 107 GLY HA2 H 1 3.9022 . . . . . . . . 107 GLY HA . 27931 1 395 . 1 . 1 107 107 GLY HA3 H 1 3.9022 . . . . . . . . 107 GLY HA . 27931 1 396 . 1 . 1 107 107 GLY CA C 13 45.68 . . . . . . . . 107 GLY CA . 27931 1 397 . 1 . 1 107 107 GLY N N 15 109.846 . . . . . . . . 107 GLY N . 27931 1 398 . 1 . 1 108 108 GLY H H 1 8.49 . . . . . . . . 108 GLY H . 27931 1 399 . 1 . 1 108 108 GLY HA2 H 1 3.9322 . . . . . . . . 108 GLY HA . 27931 1 400 . 1 . 1 108 108 GLY HA3 H 1 3.9322 . . . . . . . . 108 GLY HA . 27931 1 401 . 1 . 1 108 108 GLY CA C 13 45.455 . . . . . . . . 108 GLY CA . 27931 1 402 . 1 . 1 108 108 GLY N N 15 110.131 . . . . . . . . 108 GLY N . 27931 1 403 . 1 . 1 109 109 TYR H H 1 8.029 . . . . . . . . 109 TYR H . 27931 1 404 . 1 . 1 109 109 TYR HA H 1 4.5099 . . . . . . . . 109 TYR HA . 27931 1 405 . 1 . 1 109 109 TYR CA C 13 58.25 . . . . . . . . 109 TYR CA . 27931 1 406 . 1 . 1 109 109 TYR CB C 13 38.991 . . . . . . . . 109 TYR CB . 27931 1 407 . 1 . 1 109 109 TYR N N 15 119.886 . . . . . . . . 109 TYR N . 27931 1 408 . 1 . 1 110 110 ASP H H 1 8.302 . . . . . . . . 110 ASP H . 27931 1 409 . 1 . 1 110 110 ASP HA H 1 4.5939 . . . . . . . . 110 ASP HA . 27931 1 410 . 1 . 1 110 110 ASP CA C 13 54.597 . . . . . . . . 110 ASP CA . 27931 1 411 . 1 . 1 110 110 ASP CB C 13 41.368 . . . . . . . . 110 ASP CB . 27931 1 412 . 1 . 1 110 110 ASP N N 15 122.082 . . . . . . . . 110 ASP N . 27931 1 413 . 1 . 1 111 111 ARG H H 1 8.223 . . . . . . . . 111 ARG H . 27931 1 414 . 1 . 1 111 111 ARG HA H 1 4.237 . . . . . . . . 111 ARG HA . 27931 1 415 . 1 . 1 111 111 ARG CA C 13 56.695 . . . . . . . . 111 ARG CA . 27931 1 416 . 1 . 1 111 111 ARG CB C 13 30.534 . . . . . . . . 111 ARG CB . 27931 1 417 . 1 . 1 111 111 ARG N N 15 121.961 . . . . . . . . 111 ARG N . 27931 1 418 . 1 . 1 112 112 GLY H H 1 8.373 . . . . . . . . 112 GLY H . 27931 1 419 . 1 . 1 112 112 GLY HA2 H 1 3.9519 . . . . . . . . 112 GLY HA . 27931 1 420 . 1 . 1 112 112 GLY HA3 H 1 3.9519 . . . . . . . . 112 GLY HA . 27931 1 421 . 1 . 1 112 112 GLY CA C 13 45.584 . . . . . . . . 112 GLY CA . 27931 1 422 . 1 . 1 112 112 GLY N N 15 109.611 . . . . . . . . 112 GLY N . 27931 1 423 . 1 . 1 113 113 GLY HA2 H 1 3.8939 . . . . . . . . 113 GLY HA . 27931 1 424 . 1 . 1 113 113 GLY HA3 H 1 3.8939 . . . . . . . . 113 GLY HA . 27931 1 425 . 1 . 1 113 113 GLY CA C 13 45.421 . . . . . . . . 113 GLY CA . 27931 1 426 . 1 . 1 114 114 TYR H H 1 8.121 . . . . . . . . 114 TYR H . 27931 1 427 . 1 . 1 114 114 TYR HA H 1 4.5383 . . . . . . . . 114 TYR HA . 27931 1 428 . 1 . 1 114 114 TYR CA C 13 58.754 . . . . . . . . 114 TYR CA . 27931 1 429 . 1 . 1 114 114 TYR CB C 13 38.89 . . . . . . . . 114 TYR CB . 27931 1 430 . 1 . 1 114 114 TYR N N 15 120.552 . . . . . . . . 114 TYR N . 27931 1 431 . 1 . 1 115 115 ARG H H 1 8.275 . . . . . . . . 115 ARG H . 27931 1 432 . 1 . 1 115 115 ARG HA H 1 4.2201 . . . . . . . . 115 ARG HA . 27931 1 433 . 1 . 1 115 115 ARG CA C 13 56.26 . . . . . . . . 115 ARG CA . 27931 1 434 . 1 . 1 115 115 ARG CB C 13 30.778 . . . . . . . . 115 ARG CB . 27931 1 435 . 1 . 1 115 115 ARG N N 15 123.795 . . . . . . . . 115 ARG N . 27931 1 436 . 1 . 1 116 116 GLY H H 1 7.685 . . . . . . . . 116 GLY H . 27931 1 437 . 1 . 1 116 116 GLY HA2 H 1 3.8657 . . . . . . . . 116 GLY HA . 27931 1 438 . 1 . 1 116 116 GLY HA3 H 1 3.8657 . . . . . . . . 116 GLY HA . 27931 1 439 . 1 . 1 116 116 GLY CA C 13 45.395 . . . . . . . . 116 GLY CA . 27931 1 440 . 1 . 1 116 116 GLY N N 15 108.816 . . . . . . . . 116 GLY N . 27931 1 441 . 1 . 1 117 117 ARG H H 1 8.299 . . . . . . . . 117 ARG H . 27931 1 442 . 1 . 1 117 117 ARG HA H 1 4.3323 . . . . . . . . 117 ARG HA . 27931 1 443 . 1 . 1 117 117 ARG CA C 13 56.45 . . . . . . . . 117 ARG CA . 27931 1 444 . 1 . 1 117 117 ARG CB C 13 30.894 . . . . . . . . 117 ARG CB . 27931 1 445 . 1 . 1 117 117 ARG N N 15 120.576 . . . . . . . . 117 ARG N . 27931 1 446 . 1 . 1 118 118 GLY H H 1 8.451 . . . . . . . . 118 GLY H . 27931 1 447 . 1 . 1 118 118 GLY HA2 H 1 3.922 . . . . . . . . 118 GLY HA . 27931 1 448 . 1 . 1 118 118 GLY HA3 H 1 3.922 . . . . . . . . 118 GLY HA . 27931 1 449 . 1 . 1 118 118 GLY CA C 13 45.543 . . . . . . . . 118 GLY CA . 27931 1 450 . 1 . 1 118 118 GLY N N 15 109.836 . . . . . . . . 118 GLY N . 27931 1 451 . 1 . 1 119 119 GLY HA2 H 1 3.9297 . . . . . . . . 119 GLY HA . 27931 1 452 . 1 . 1 119 119 GLY HA3 H 1 3.9297 . . . . . . . . 119 GLY HA . 27931 1 453 . 1 . 1 119 119 GLY CA C 13 45.56 . . . . . . . . 119 GLY CA . 27931 1 454 . 1 . 1 120 120 ASP H H 1 8.239 . . . . . . . . 120 ASP H . 27931 1 455 . 1 . 1 120 120 ASP HA H 1 4.5571 . . . . . . . . 120 ASP HA . 27931 1 456 . 1 . 1 120 120 ASP CA C 13 54.95 . . . . . . . . 120 ASP CA . 27931 1 457 . 1 . 1 120 120 ASP CB C 13 41.456 . . . . . . . . 120 ASP CB . 27931 1 458 . 1 . 1 120 120 ASP N N 15 120.598 . . . . . . . . 120 ASP N . 27931 1 459 . 1 . 1 121 121 ARG H H 1 8.369 . . . . . . . . 121 ARG H . 27931 1 460 . 1 . 1 121 121 ARG HA H 1 4.2873 . . . . . . . . 121 ARG HA . 27931 1 461 . 1 . 1 121 121 ARG CA C 13 56.37 . . . . . . . . 121 ARG CA . 27931 1 462 . 1 . 1 121 121 ARG CB C 13 30.543 . . . . . . . . 121 ARG CB . 27931 1 463 . 1 . 1 121 121 ARG N N 15 121.361 . . . . . . . . 121 ARG N . 27931 1 464 . 1 . 1 122 122 GLY H H 1 7.794 . . . . . . . . 122 GLY H . 27931 1 465 . 1 . 1 122 122 GLY HA2 H 1 3.8588 . . . . . . . . 122 GLY HA . 27931 1 466 . 1 . 1 122 122 GLY HA3 H 1 3.8588 . . . . . . . . 122 GLY HA . 27931 1 467 . 1 . 1 122 122 GLY CA C 13 45.55 . . . . . . . . 122 GLY CA . 27931 1 468 . 1 . 1 122 122 GLY N N 15 109.081 . . . . . . . . 122 GLY N . 27931 1 469 . 1 . 1 123 123 GLY H H 1 7.897 . . . . . . . . 123 GLY H . 27931 1 470 . 1 . 1 123 123 GLY HA2 H 1 3.8767 . . . . . . . . 123 GLY HA . 27931 1 471 . 1 . 1 123 123 GLY HA3 H 1 3.8767 . . . . . . . . 123 GLY HA . 27931 1 472 . 1 . 1 123 123 GLY CA C 13 45.4 . . . . . . . . 123 GLY CA . 27931 1 473 . 1 . 1 123 123 GLY N N 15 108.265 . . . . . . . . 123 GLY N . 27931 1 474 . 1 . 1 124 124 PHE H H 1 8.268 . . . . . . . . 124 PHE H . 27931 1 475 . 1 . 1 124 124 PHE HA H 1 4.6651 . . . . . . . . 124 PHE HA . 27931 1 476 . 1 . 1 124 124 PHE CA C 13 57.413 . . . . . . . . 124 PHE CA . 27931 1 477 . 1 . 1 124 124 PHE CB C 13 39.0579 . . . . . . . . 124 PHE CB . 27931 1 478 . 1 . 1 124 124 PHE N N 15 118.757 . . . . . . . . 124 PHE N . 27931 1 479 . 1 . 1 125 125 ARG H H 1 8.347 . . . . . . . . 125 ARG H . 27931 1 480 . 1 . 1 125 125 ARG HA H 1 4.3651 . . . . . . . . 125 ARG HA . 27931 1 481 . 1 . 1 125 125 ARG CA C 13 56.084 . . . . . . . . 125 ARG CA . 27931 1 482 . 1 . 1 125 125 ARG CB C 13 30.0215 . . . . . . . . 125 ARG CB . 27931 1 483 . 1 . 1 125 125 ARG N N 15 121.326 . . . . . . . . 125 ARG N . 27931 1 484 . 1 . 1 128 128 ARG H H 1 8.409 . . . . . . . . 128 ARG H . 27931 1 485 . 1 . 1 128 128 ARG HA H 1 4.2428 . . . . . . . . 128 ARG HA . 27931 1 486 . 1 . 1 128 128 ARG CA C 13 56.535 . . . . . . . . 128 ARG CA . 27931 1 487 . 1 . 1 128 128 ARG CB C 13 30.415 . . . . . . . . 128 ARG CB . 27931 1 488 . 1 . 1 128 128 ARG N N 15 121.639 . . . . . . . . 128 ARG N . 27931 1 489 . 1 . 1 133 133 ARG H H 1 8.35 . . . . . . . . 133 ARG H . 27931 1 490 . 1 . 1 133 133 ARG HA H 1 4.2411 . . . . . . . . 133 ARG HA . 27931 1 491 . 1 . 1 133 133 ARG CA C 13 57.395 . . . . . . . . 133 ARG CA . 27931 1 492 . 1 . 1 133 133 ARG CB C 13 32.95 . . . . . . . . 133 ARG CB . 27931 1 493 . 1 . 1 133 133 ARG N N 15 118.622 . . . . . . . . 133 ARG N . 27931 1 494 . 1 . 1 134 134 GLY H H 1 8.439 . . . . . . . . 134 GLY H . 27931 1 495 . 1 . 1 134 134 GLY HA2 H 1 3.9532 . . . . . . . . 134 GLY HA . 27931 1 496 . 1 . 1 134 134 GLY HA3 H 1 3.9532 . . . . . . . . 134 GLY HA . 27931 1 497 . 1 . 1 134 134 GLY CA C 13 45.45 . . . . . . . . 134 GLY CA . 27931 1 498 . 1 . 1 134 134 GLY N N 15 110.2325 . . . . . . . . 134 GLY N . 27931 1 499 . 1 . 1 135 135 GLY H H 1 8.16 . . . . . . . . 135 GLY H . 27931 1 500 . 1 . 1 135 135 GLY HA2 H 1 3.8791 . . . . . . . . 135 GLY HA . 27931 1 501 . 1 . 1 135 135 GLY HA3 H 1 3.8791 . . . . . . . . 135 GLY HA . 27931 1 502 . 1 . 1 135 135 GLY CA C 13 45.298 . . . . . . . . 135 GLY CA . 27931 1 503 . 1 . 1 135 135 GLY N N 15 108.5 . . . . . . . . 135 GLY N . 27931 1 504 . 1 . 1 136 136 PHE H H 1 8.102 . . . . . . . . 136 PHE H . 27931 1 505 . 1 . 1 136 136 PHE HA H 1 4.6277 . . . . . . . . 136 PHE HA . 27931 1 506 . 1 . 1 136 136 PHE CA C 13 57.745 . . . . . . . . 136 PHE CA . 27931 1 507 . 1 . 1 136 136 PHE CB C 13 40.176 . . . . . . . . 136 PHE CB . 27931 1 508 . 1 . 1 136 136 PHE N N 15 119.514 . . . . . . . . 136 PHE N . 27931 1 509 . 1 . 1 137 137 GLY H H 1 8.251 . . . . . . . . 137 GLY H . 27931 1 510 . 1 . 1 137 137 GLY HA2 H 1 4.0334 . . . . . . . . 137 GLY HA . 27931 1 511 . 1 . 1 137 137 GLY HA3 H 1 4.0334 . . . . . . . . 137 GLY HA . 27931 1 512 . 1 . 1 137 137 GLY CA C 13 45.574 . . . . . . . . 137 GLY CA . 27931 1 513 . 1 . 1 137 137 GLY N N 15 110.326 . . . . . . . . 137 GLY N . 27931 1 514 . 1 . 1 138 138 PRO CA C 13 63.164 . . . . . . . . 138 PRO CA . 27931 1 515 . 1 . 1 138 138 PRO CB C 13 32.752 . . . . . . . . 138 PRO CB . 27931 1 516 . 1 . 1 139 139 GLY H H 1 8.589 . . . . . . . . 139 GLY H . 27931 1 517 . 1 . 1 139 139 GLY HA2 H 1 3.9666 . . . . . . . . 139 GLY HA . 27931 1 518 . 1 . 1 139 139 GLY HA3 H 1 3.9666 . . . . . . . . 139 GLY HA . 27931 1 519 . 1 . 1 139 139 GLY CA C 13 45.339 . . . . . . . . 139 GLY CA . 27931 1 520 . 1 . 1 139 139 GLY N N 15 110.468 . . . . . . . . 139 GLY N . 27931 1 521 . 1 . 1 140 140 LYS H H 1 8.11 . . . . . . . . 140 LYS H . 27931 1 522 . 1 . 1 140 140 LYS HA H 1 4.2922 . . . . . . . . 140 LYS HA . 27931 1 523 . 1 . 1 140 140 LYS CA C 13 56.466 . . . . . . . . 140 LYS CA . 27931 1 524 . 1 . 1 140 140 LYS CB C 13 33.323 . . . . . . . . 140 LYS CB . 27931 1 525 . 1 . 1 140 140 LYS N N 15 120.774 . . . . . . . . 140 LYS N . 27931 1 526 . 1 . 1 141 141 MET H H 1 8.463 . . . . . . . . 141 MET H . 27931 1 527 . 1 . 1 141 141 MET HA H 1 4.3022 . . . . . . . . 141 MET HA . 27931 1 528 . 1 . 1 141 141 MET CA C 13 55.789 . . . . . . . . 141 MET CA . 27931 1 529 . 1 . 1 141 141 MET CB C 13 33.147 . . . . . . . . 141 MET CB . 27931 1 530 . 1 . 1 141 141 MET N N 15 121.69 . . . . . . . . 141 MET N . 27931 1 531 . 1 . 1 142 142 ASP H H 1 8.314 . . . . . . . . 142 ASP H . 27931 1 532 . 1 . 1 142 142 ASP HA H 1 4.6004 . . . . . . . . 142 ASP HA . 27931 1 533 . 1 . 1 142 142 ASP CA C 13 54.5 . . . . . . . . 142 ASP CA . 27931 1 534 . 1 . 1 142 142 ASP CB C 13 41.597 . . . . . . . . 142 ASP CB . 27931 1 535 . 1 . 1 142 142 ASP N N 15 121.897 . . . . . . . . 142 ASP N . 27931 1 536 . 1 . 1 143 143 SER H H 1 8.345 . . . . . . . . 143 SER H . 27931 1 537 . 1 . 1 143 143 SER HA H 1 4.3918 . . . . . . . . 143 SER HA . 27931 1 538 . 1 . 1 143 143 SER CA C 13 59.051 . . . . . . . . 143 SER CA . 27931 1 539 . 1 . 1 143 143 SER CB C 13 63.914 . . . . . . . . 143 SER CB . 27931 1 540 . 1 . 1 143 143 SER N N 15 117.236 . . . . . . . . 143 SER N . 27931 1 541 . 1 . 1 144 144 ARG H H 1 8.37 . . . . . . . . 144 ARG H . 27931 1 542 . 1 . 1 144 144 ARG HA H 1 4.2822 . . . . . . . . 144 ARG HA . 27931 1 543 . 1 . 1 144 144 ARG CA C 13 57.035 . . . . . . . . 144 ARG CA . 27931 1 544 . 1 . 1 144 144 ARG CB C 13 30.605 . . . . . . . . 144 ARG CB . 27931 1 545 . 1 . 1 144 144 ARG N N 15 122.483 . . . . . . . . 144 ARG N . 27931 1 546 . 1 . 1 145 145 GLY H H 1 8.266 . . . . . . . . 145 GLY H . 27931 1 547 . 1 . 1 145 145 GLY HA2 H 1 3.9075 . . . . . . . . 145 GLY HA . 27931 1 548 . 1 . 1 145 145 GLY HA3 H 1 3.9075 . . . . . . . . 145 GLY HA . 27931 1 549 . 1 . 1 145 145 GLY CA C 13 45.588 . . . . . . . . 145 GLY CA . 27931 1 550 . 1 . 1 145 145 GLY N N 15 108.91 . . . . . . . . 145 GLY N . 27931 1 551 . 1 . 1 146 146 GLU H H 1 8.244 . . . . . . . . 146 GLU H . 27931 1 552 . 1 . 1 146 146 GLU HA H 1 4.269 . . . . . . . . 146 GLU HA . 27931 1 553 . 1 . 1 146 146 GLU CA C 13 56.232 . . . . . . . . 146 GLU CA . 27931 1 554 . 1 . 1 146 146 GLU CB C 13 29.11 . . . . . . . . 146 GLU CB . 27931 1 555 . 1 . 1 146 146 GLU N N 15 119.737 . . . . . . . . 146 GLU N . 27931 1 556 . 1 . 1 147 147 HIS H H 1 8.578 . . . . . . . . 147 HIS H . 27931 1 557 . 1 . 1 147 147 HIS HA H 1 4.6985 . . . . . . . . 147 HIS HA . 27931 1 558 . 1 . 1 147 147 HIS CA C 13 55.411 . . . . . . . . 147 HIS CA . 27931 1 559 . 1 . 1 147 147 HIS CB C 13 28.953 . . . . . . . . 147 HIS CB . 27931 1 560 . 1 . 1 147 147 HIS N N 15 119.663 . . . . . . . . 147 HIS N . 27931 1 561 . 1 . 1 148 148 ARG H H 1 8.358 . . . . . . . . 148 ARG H . 27931 1 562 . 1 . 1 148 148 ARG HA H 1 4.2681 . . . . . . . . 148 ARG HA . 27931 1 563 . 1 . 1 148 148 ARG CA C 13 56.567 . . . . . . . . 148 ARG CA . 27931 1 564 . 1 . 1 148 148 ARG CB C 13 31.057 . . . . . . . . 148 ARG CB . 27931 1 565 . 1 . 1 148 148 ARG N N 15 122.771 . . . . . . . . 148 ARG N . 27931 1 566 . 1 . 1 149 149 GLN H H 1 8.571 . . . . . . . . 149 GLN H . 27931 1 567 . 1 . 1 149 149 GLN HA H 1 4.2811 . . . . . . . . 149 GLN HA . 27931 1 568 . 1 . 1 149 149 GLN CA C 13 56.322 . . . . . . . . 149 GLN CA . 27931 1 569 . 1 . 1 149 149 GLN CB C 13 29.531 . . . . . . . . 149 GLN CB . 27931 1 570 . 1 . 1 149 149 GLN N N 15 121.631 . . . . . . . . 149 GLN N . 27931 1 571 . 1 . 1 150 150 ASP H H 1 8.355 . . . . . . . . 150 ASP H . 27931 1 572 . 1 . 1 150 150 ASP HA H 1 4.5556 . . . . . . . . 150 ASP HA . 27931 1 573 . 1 . 1 150 150 ASP CA C 13 54.617 . . . . . . . . 150 ASP CA . 27931 1 574 . 1 . 1 150 150 ASP CB C 13 41.371 . . . . . . . . 150 ASP CB . 27931 1 575 . 1 . 1 150 150 ASP N N 15 121.837 . . . . . . . . 150 ASP N . 27931 1 576 . 1 . 1 151 151 ARG H H 1 8.251 . . . . . . . . 151 ARG H . 27931 1 577 . 1 . 1 151 151 ARG HA H 1 4.2951 . . . . . . . . 151 ARG HA . 27931 1 578 . 1 . 1 151 151 ARG CA C 13 56.382 . . . . . . . . 151 ARG CA . 27931 1 579 . 1 . 1 151 151 ARG CB C 13 30.683 . . . . . . . . 151 ARG CB . 27931 1 580 . 1 . 1 151 151 ARG N N 15 121.696 . . . . . . . . 151 ARG N . 27931 1 581 . 1 . 1 152 152 ARG H H 1 8.349 . . . . . . . . 152 ARG H . 27931 1 582 . 1 . 1 152 152 ARG HA H 1 4.2361 . . . . . . . . 152 ARG HA . 27931 1 583 . 1 . 1 152 152 ARG CA C 13 56.286 . . . . . . . . 152 ARG CA . 27931 1 584 . 1 . 1 152 152 ARG CB C 13 30.764 . . . . . . . . 152 ARG CB . 27931 1 585 . 1 . 1 152 152 ARG N N 15 123.819 . . . . . . . . 152 ARG N . 27931 1 586 . 1 . 1 153 153 GLU H H 1 8.359 . . . . . . . . 153 GLU H . 27931 1 587 . 1 . 1 153 153 GLU HA H 1 4.2393 . . . . . . . . 153 GLU HA . 27931 1 588 . 1 . 1 153 153 GLU CA C 13 56.849 . . . . . . . . 153 GLU CA . 27931 1 589 . 1 . 1 153 153 GLU CB C 13 30.598 . . . . . . . . 153 GLU CB . 27931 1 590 . 1 . 1 153 153 GLU N N 15 122.594 . . . . . . . . 153 GLU N . 27931 1 591 . 1 . 1 154 154 ARG H H 1 8.172 . . . . . . . . 154 ARG H . 27931 1 592 . 1 . 1 154 154 ARG HA H 1 4.5671 . . . . . . . . 154 ARG HA . 27931 1 593 . 1 . 1 154 154 ARG CA C 13 54.014 . . . . . . . . 154 ARG CA . 27931 1 594 . 1 . 1 154 154 ARG CB C 13 30.765 . . . . . . . . 154 ARG CB . 27931 1 595 . 1 . 1 154 154 ARG N N 15 122.01 . . . . . . . . 154 ARG N . 27931 1 596 . 1 . 1 155 155 PRO HA H 1 4.3653 . . . . . . . . 155 PRO HA . 27931 1 597 . 1 . 1 155 155 PRO CA C 13 63.747 . . . . . . . . 155 PRO CA . 27931 1 598 . 1 . 1 155 155 PRO CB C 13 31.829 . . . . . . . . 155 PRO CB . 27931 1 599 . 1 . 1 156 156 TYR H H 1 7.43 . . . . . . . . 156 TYR H . 27931 1 600 . 1 . 1 156 156 TYR HA H 1 4.3653 . . . . . . . . 156 TYR HA . 27931 1 601 . 1 . 1 156 156 TYR CA C 13 59.182 . . . . . . . . 156 TYR CA . 27931 1 602 . 1 . 1 156 156 TYR CB C 13 39.383 . . . . . . . . 156 TYR CB . 27931 1 603 . 1 . 1 156 156 TYR N N 15 123.715 . . . . . . . . 156 TYR N . 27931 1 stop_ save_