data_51835 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51835 _Entry.Title ; Binding of Rho GDP-dissociation inhibitor to its GTPase clients relies on preformed secondary structural properties of the binding interface ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-02-16 _Entry.Accession_date 2023-02-16 _Entry.Last_release_date 2023-02-16 _Entry.Original_release_date 2023-02-16 _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 1 _Entry.Generated_software_label $software_1 _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 Sara Medina-Gomez . . . . 51835 2 Ilaria Visco . . . . 51835 3 Felipe Merino . . . . 51835 4 Peter Bieling . . . . 51835 5 Rasmus Linser . . . . 51835 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51835 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 505 51835 '15N chemical shifts' 156 51835 '1H chemical shifts' 156 51835 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 . . 2024-08-12 2023-02-16 update BMRB 'update entry citation' 51835 1 . . 2024-06-27 2023-02-16 original author 'original release' 51835 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51835 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38853146 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Transient Structural Properties of the Rho GDP-Dissociation Inhibitor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Angew. Chem. Int. Ed. Engl.' _Citation.Journal_name_full . _Citation.Journal_volume 63 _Citation.Journal_issue 34 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first e202403941 _Citation.Page_last e202403941 _Citation.Year 2024 _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 Sara Medina-Gomez . . . . 51835 1 2 Ilaria Visco . . . . 51835 1 3 Felipe Merino . . . . 51835 1 4 Peter Bieling . . . . 51835 1 5 Rasmus Linser . . . . 51835 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51835 _Assembly.ID 1 _Assembly.Name RhoDI1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 23729.72 _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 RhoGDI 1 $entity_1 . . yes native yes no . . . 51835 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51835 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGMAEQEPTAEQLAQIAA ENEEDEHSVNYKPPAQKSIQ EIQELDKDDESLRKYKEALL GRVAVSADPNVPNVVVTRLT LVSSTAPGPLELDLTGDLES FKKQSFVLKEGVEYRIKISF RVNREIVSGMKYIQHTYRKG VKIDKTDYMVGSYGPRAEEY EFLTPMEEAPKGMLARGSYN IKSRFTDDDRTDHLSWEWNL TIKKEWKD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 208 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . GLY . 51835 1 2 . PRO . 51835 1 3 . LEU . 51835 1 4 . GLY . 51835 1 5 . MET . 51835 1 6 . ALA . 51835 1 7 . GLU . 51835 1 8 . GLN . 51835 1 9 . GLU . 51835 1 10 . PRO . 51835 1 11 . THR . 51835 1 12 . ALA . 51835 1 13 . GLU . 51835 1 14 . GLN . 51835 1 15 . LEU . 51835 1 16 . ALA . 51835 1 17 . GLN . 51835 1 18 . ILE . 51835 1 19 . ALA . 51835 1 20 . ALA . 51835 1 21 . GLU . 51835 1 22 . ASN . 51835 1 23 . GLU . 51835 1 24 . GLU . 51835 1 25 . ASP . 51835 1 26 . GLU . 51835 1 27 . HIS . 51835 1 28 . SER . 51835 1 29 . VAL . 51835 1 30 . ASN . 51835 1 31 . TYR . 51835 1 32 . LYS . 51835 1 33 . PRO . 51835 1 34 . PRO . 51835 1 35 . ALA . 51835 1 36 . GLN . 51835 1 37 . LYS . 51835 1 38 . SER . 51835 1 39 . ILE . 51835 1 40 . GLN . 51835 1 41 . GLU . 51835 1 42 . ILE . 51835 1 43 . GLN . 51835 1 44 . GLU . 51835 1 45 . LEU . 51835 1 46 . ASP . 51835 1 47 . LYS . 51835 1 48 . ASP . 51835 1 49 . ASP . 51835 1 50 . GLU . 51835 1 51 . SER . 51835 1 52 . LEU . 51835 1 53 . ARG . 51835 1 54 . LYS . 51835 1 55 . TYR . 51835 1 56 . LYS . 51835 1 57 . GLU . 51835 1 58 . ALA . 51835 1 59 . LEU . 51835 1 60 . LEU . 51835 1 61 . GLY . 51835 1 62 . ARG . 51835 1 63 . VAL . 51835 1 64 . ALA . 51835 1 65 . VAL . 51835 1 66 . SER . 51835 1 67 . ALA . 51835 1 68 . ASP . 51835 1 69 . PRO . 51835 1 70 . ASN . 51835 1 71 . VAL . 51835 1 72 . PRO . 51835 1 73 . ASN . 51835 1 74 . VAL . 51835 1 75 . VAL . 51835 1 76 . VAL . 51835 1 77 . THR . 51835 1 78 . ARG . 51835 1 79 . LEU . 51835 1 80 . THR . 51835 1 81 . LEU . 51835 1 82 . VAL . 51835 1 83 . SER . 51835 1 84 . SER . 51835 1 85 . THR . 51835 1 86 . ALA . 51835 1 87 . PRO . 51835 1 88 . GLY . 51835 1 89 . PRO . 51835 1 90 . LEU . 51835 1 91 . GLU . 51835 1 92 . LEU . 51835 1 93 . ASP . 51835 1 94 . LEU . 51835 1 95 . THR . 51835 1 96 . GLY . 51835 1 97 . ASP . 51835 1 98 . LEU . 51835 1 99 . GLU . 51835 1 100 . SER . 51835 1 101 . PHE . 51835 1 102 . LYS . 51835 1 103 . LYS . 51835 1 104 . GLN . 51835 1 105 . SER . 51835 1 106 . PHE . 51835 1 107 . VAL . 51835 1 108 . LEU . 51835 1 109 . LYS . 51835 1 110 . GLU . 51835 1 111 . GLY . 51835 1 112 . VAL . 51835 1 113 . GLU . 51835 1 114 . TYR . 51835 1 115 . ARG . 51835 1 116 . ILE . 51835 1 117 . LYS . 51835 1 118 . ILE . 51835 1 119 . SER . 51835 1 120 . PHE . 51835 1 121 . ARG . 51835 1 122 . VAL . 51835 1 123 . ASN . 51835 1 124 . ARG . 51835 1 125 . GLU . 51835 1 126 . ILE . 51835 1 127 . VAL . 51835 1 128 . SER . 51835 1 129 . GLY . 51835 1 130 . MET . 51835 1 131 . LYS . 51835 1 132 . TYR . 51835 1 133 . ILE . 51835 1 134 . GLN . 51835 1 135 . HIS . 51835 1 136 . THR . 51835 1 137 . TYR . 51835 1 138 . ARG . 51835 1 139 . LYS . 51835 1 140 . GLY . 51835 1 141 . VAL . 51835 1 142 . LYS . 51835 1 143 . ILE . 51835 1 144 . ASP . 51835 1 145 . LYS . 51835 1 146 . THR . 51835 1 147 . ASP . 51835 1 148 . TYR . 51835 1 149 . MET . 51835 1 150 . VAL . 51835 1 151 . GLY . 51835 1 152 . SER . 51835 1 153 . TYR . 51835 1 154 . GLY . 51835 1 155 . PRO . 51835 1 156 . ARG . 51835 1 157 . ALA . 51835 1 158 . GLU . 51835 1 159 . GLU . 51835 1 160 . TYR . 51835 1 161 . GLU . 51835 1 162 . PHE . 51835 1 163 . LEU . 51835 1 164 . THR . 51835 1 165 . PRO . 51835 1 166 . MET . 51835 1 167 . GLU . 51835 1 168 . GLU . 51835 1 169 . ALA . 51835 1 170 . PRO . 51835 1 171 . LYS . 51835 1 172 . GLY . 51835 1 173 . MET . 51835 1 174 . LEU . 51835 1 175 . ALA . 51835 1 176 . ARG . 51835 1 177 . GLY . 51835 1 178 . SER . 51835 1 179 . TYR . 51835 1 180 . ASN . 51835 1 181 . ILE . 51835 1 182 . LYS . 51835 1 183 . SER . 51835 1 184 . ARG . 51835 1 185 . PHE . 51835 1 186 . THR . 51835 1 187 . ASP . 51835 1 188 . ASP . 51835 1 189 . ASP . 51835 1 190 . ARG . 51835 1 191 . THR . 51835 1 192 . ASP . 51835 1 193 . HIS . 51835 1 194 . LEU . 51835 1 195 . SER . 51835 1 196 . TRP . 51835 1 197 . GLU . 51835 1 198 . TRP . 51835 1 199 . ASN . 51835 1 200 . LEU . 51835 1 201 . THR . 51835 1 202 . ILE . 51835 1 203 . LYS . 51835 1 204 . LYS . 51835 1 205 . GLU . 51835 1 206 . TRP . 51835 1 207 . LYS . 51835 1 208 . ASP . 51835 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 51835 1 . PRO 2 2 51835 1 . LEU 3 3 51835 1 . GLY 4 4 51835 1 . MET 5 5 51835 1 . ALA 6 6 51835 1 . GLU 7 7 51835 1 . GLN 8 8 51835 1 . GLU 9 9 51835 1 . PRO 10 10 51835 1 . THR 11 11 51835 1 . ALA 12 12 51835 1 . GLU 13 13 51835 1 . GLN 14 14 51835 1 . LEU 15 15 51835 1 . ALA 16 16 51835 1 . GLN 17 17 51835 1 . ILE 18 18 51835 1 . ALA 19 19 51835 1 . ALA 20 20 51835 1 . GLU 21 21 51835 1 . ASN 22 22 51835 1 . GLU 23 23 51835 1 . GLU 24 24 51835 1 . ASP 25 25 51835 1 . GLU 26 26 51835 1 . HIS 27 27 51835 1 . SER 28 28 51835 1 . VAL 29 29 51835 1 . ASN 30 30 51835 1 . TYR 31 31 51835 1 . LYS 32 32 51835 1 . PRO 33 33 51835 1 . PRO 34 34 51835 1 . ALA 35 35 51835 1 . GLN 36 36 51835 1 . LYS 37 37 51835 1 . SER 38 38 51835 1 . ILE 39 39 51835 1 . GLN 40 40 51835 1 . GLU 41 41 51835 1 . ILE 42 42 51835 1 . GLN 43 43 51835 1 . GLU 44 44 51835 1 . LEU 45 45 51835 1 . ASP 46 46 51835 1 . LYS 47 47 51835 1 . ASP 48 48 51835 1 . ASP 49 49 51835 1 . GLU 50 50 51835 1 . SER 51 51 51835 1 . LEU 52 52 51835 1 . ARG 53 53 51835 1 . LYS 54 54 51835 1 . TYR 55 55 51835 1 . LYS 56 56 51835 1 . GLU 57 57 51835 1 . ALA 58 58 51835 1 . LEU 59 59 51835 1 . LEU 60 60 51835 1 . GLY 61 61 51835 1 . ARG 62 62 51835 1 . VAL 63 63 51835 1 . ALA 64 64 51835 1 . VAL 65 65 51835 1 . SER 66 66 51835 1 . ALA 67 67 51835 1 . ASP 68 68 51835 1 . PRO 69 69 51835 1 . ASN 70 70 51835 1 . VAL 71 71 51835 1 . PRO 72 72 51835 1 . ASN 73 73 51835 1 . VAL 74 74 51835 1 . VAL 75 75 51835 1 . VAL 76 76 51835 1 . THR 77 77 51835 1 . ARG 78 78 51835 1 . LEU 79 79 51835 1 . THR 80 80 51835 1 . LEU 81 81 51835 1 . VAL 82 82 51835 1 . SER 83 83 51835 1 . SER 84 84 51835 1 . THR 85 85 51835 1 . ALA 86 86 51835 1 . PRO 87 87 51835 1 . GLY 88 88 51835 1 . PRO 89 89 51835 1 . LEU 90 90 51835 1 . GLU 91 91 51835 1 . LEU 92 92 51835 1 . ASP 93 93 51835 1 . LEU 94 94 51835 1 . THR 95 95 51835 1 . GLY 96 96 51835 1 . ASP 97 97 51835 1 . LEU 98 98 51835 1 . GLU 99 99 51835 1 . SER 100 100 51835 1 . PHE 101 101 51835 1 . LYS 102 102 51835 1 . LYS 103 103 51835 1 . GLN 104 104 51835 1 . SER 105 105 51835 1 . PHE 106 106 51835 1 . VAL 107 107 51835 1 . LEU 108 108 51835 1 . LYS 109 109 51835 1 . GLU 110 110 51835 1 . GLY 111 111 51835 1 . VAL 112 112 51835 1 . GLU 113 113 51835 1 . TYR 114 114 51835 1 . ARG 115 115 51835 1 . ILE 116 116 51835 1 . LYS 117 117 51835 1 . ILE 118 118 51835 1 . SER 119 119 51835 1 . PHE 120 120 51835 1 . ARG 121 121 51835 1 . VAL 122 122 51835 1 . ASN 123 123 51835 1 . ARG 124 124 51835 1 . GLU 125 125 51835 1 . ILE 126 126 51835 1 . VAL 127 127 51835 1 . SER 128 128 51835 1 . GLY 129 129 51835 1 . MET 130 130 51835 1 . LYS 131 131 51835 1 . TYR 132 132 51835 1 . ILE 133 133 51835 1 . GLN 134 134 51835 1 . HIS 135 135 51835 1 . THR 136 136 51835 1 . TYR 137 137 51835 1 . ARG 138 138 51835 1 . LYS 139 139 51835 1 . GLY 140 140 51835 1 . VAL 141 141 51835 1 . LYS 142 142 51835 1 . ILE 143 143 51835 1 . ASP 144 144 51835 1 . LYS 145 145 51835 1 . THR 146 146 51835 1 . ASP 147 147 51835 1 . TYR 148 148 51835 1 . MET 149 149 51835 1 . VAL 150 150 51835 1 . GLY 151 151 51835 1 . SER 152 152 51835 1 . TYR 153 153 51835 1 . GLY 154 154 51835 1 . PRO 155 155 51835 1 . ARG 156 156 51835 1 . ALA 157 157 51835 1 . GLU 158 158 51835 1 . GLU 159 159 51835 1 . TYR 160 160 51835 1 . GLU 161 161 51835 1 . PHE 162 162 51835 1 . LEU 163 163 51835 1 . THR 164 164 51835 1 . PRO 165 165 51835 1 . MET 166 166 51835 1 . GLU 167 167 51835 1 . GLU 168 168 51835 1 . ALA 169 169 51835 1 . PRO 170 170 51835 1 . LYS 171 171 51835 1 . GLY 172 172 51835 1 . MET 173 173 51835 1 . LEU 174 174 51835 1 . ALA 175 175 51835 1 . ARG 176 176 51835 1 . GLY 177 177 51835 1 . SER 178 178 51835 1 . TYR 179 179 51835 1 . ASN 180 180 51835 1 . ILE 181 181 51835 1 . LYS 182 182 51835 1 . SER 183 183 51835 1 . ARG 184 184 51835 1 . PHE 185 185 51835 1 . THR 186 186 51835 1 . ASP 187 187 51835 1 . ASP 188 188 51835 1 . ASP 189 189 51835 1 . ARG 190 190 51835 1 . THR 191 191 51835 1 . ASP 192 192 51835 1 . HIS 193 193 51835 1 . LEU 194 194 51835 1 . SER 195 195 51835 1 . TRP 196 196 51835 1 . GLU 197 197 51835 1 . TRP 198 198 51835 1 . ASN 199 199 51835 1 . LEU 200 200 51835 1 . THR 201 201 51835 1 . ILE 202 202 51835 1 . LYS 203 203 51835 1 . LYS 204 204 51835 1 . GLU 205 205 51835 1 . TRP 206 206 51835 1 . LYS 207 207 51835 1 . ASP 208 208 51835 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51835 _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 . 9913 organism . 'Bos taurus' cow . . Eukaryota Metazoa Bos taurus . . . . . . . . . . . . . 51835 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51835 _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' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pGEX6P . . . 51835 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51835 _Sample.ID 1 _Sample.Name 'RhoGDI 1' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 RhoGDI1 '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 600 . . uM . . . . 51835 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 51835 1 3 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 51835 1 4 TCEP 'natural abundance' . . . . . . 0.5 . . mM . . . . 51835 1 5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 51835 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 51835 _Sample_condition_list.ID 1 _Sample_condition_list.Name RhoGDI1 _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' 0.15 . M 51835 1 pH 7.4 . pH 51835 1 pressure 1 . atm 51835 1 temperature 287 . K 51835 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51835 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 3.1.0 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51835 1 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 51835 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance NEO 800 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51835 _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 HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51835 1 2 '3D HNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51835 1 3 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51835 1 4 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51835 1 5 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51835 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 51835 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name RhoGDI1 _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 . . . . . . 51835 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.0 . . . . . 51835 1 N 15 na nitrogen . . . . na 0.00 na direct 1.0 . . . . . 51835 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 51835 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name RhoGDI1 _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 2 '3D HNCA' . . . 51835 1 3 '3D HNCO' . . . 51835 1 4 '3D HN(CA)CO' . . . 51835 1 5 '3D HNCACB' . . . 51835 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 $software_1 . . 51835 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 3 3 LEU H H 1 8.417785934 0.0111355808 . . . . . . . 3 LEU H . 51835 1 2 . 1 . 1 3 3 LEU C C 13 177.9066333 0.0324390719 . . . . . . . 3 LEU C . 51835 1 3 . 1 . 1 3 3 LEU CA C 13 55.39119353 0.0424379426 . . . . . . . 3 LEU CA . 51835 1 4 . 1 . 1 3 3 LEU CB C 13 41.55948809 0.0344075658 . . . . . . . 3 LEU CB . 51835 1 5 . 1 . 1 3 3 LEU N N 15 121.7817073 0.0739875309 . . . . . . . 3 LEU N . 51835 1 6 . 1 . 1 4 4 GLY H H 1 8.331031885 0.0126972353 . . . . . . . 4 GLY H . 51835 1 7 . 1 . 1 4 4 GLY C C 13 174.1512187 0.0204997484 . . . . . . . 4 GLY C . 51835 1 8 . 1 . 1 4 4 GLY CA C 13 45.3241349 0.037557907 . . . . . . . 4 GLY CA . 51835 1 9 . 1 . 1 4 4 GLY N N 15 109.3728351 0.0882770053 . . . . . . . 4 GLY N . 51835 1 10 . 1 . 1 5 5 MET H H 1 8.071567847 0.0134779477 . . . . . . . 5 MET H . 51835 1 11 . 1 . 1 5 5 MET C C 13 176.0217521 0.0197252287 . . . . . . . 5 MET C . 51835 1 12 . 1 . 1 5 5 MET CA C 13 55.48725506 0.0577237243 . . . . . . . 5 MET CA . 51835 1 13 . 1 . 1 5 5 MET CB C 13 32.48036539 0.1317693263 . . . . . . . 5 MET CB . 51835 1 14 . 1 . 1 5 5 MET N N 15 119.8472926 0.1479656333 . . . . . . . 5 MET N . 51835 1 15 . 1 . 1 6 6 ALA H H 1 8.29049536 0.0177278144 . . . . . . . 6 ALA H . 51835 1 16 . 1 . 1 6 6 ALA C C 13 177.6844693 0.0180316597 . . . . . . . 6 ALA C . 51835 1 17 . 1 . 1 6 6 ALA CA C 13 52.59754726 0.023881207 . . . . . . . 6 ALA CA . 51835 1 18 . 1 . 1 6 6 ALA CB C 13 18.76937081 0.039685425 . . . . . . . 6 ALA CB . 51835 1 19 . 1 . 1 6 6 ALA N N 15 124.7790815 0.0898373746 . . . . . . . 6 ALA N . 51835 1 20 . 1 . 1 7 7 GLU H H 1 8.273956452 0.0149234234 . . . . . . . 7 GLU H . 51835 1 21 . 1 . 1 7 7 GLU C C 13 176.3478977 0.0333423871 . . . . . . . 7 GLU C . 51835 1 22 . 1 . 1 7 7 GLU CA C 13 56.53207708 0.059597429 . . . . . . . 7 GLU CA . 51835 1 23 . 1 . 1 7 7 GLU CB C 13 29.77453481 0.0309790472 . . . . . . . 7 GLU CB . 51835 1 24 . 1 . 1 7 7 GLU N N 15 119.5990783 0.0803868626 . . . . . . . 7 GLU N . 51835 1 25 . 1 . 1 8 8 GLN H H 1 8.217083569 0.0147507675 . . . . . . . 8 GLN H . 51835 1 26 . 1 . 1 8 8 GLN C C 13 175.5388502 0.0276083657 . . . . . . . 8 GLN C . 51835 1 27 . 1 . 1 8 8 GLN CA C 13 55.52772387 0.0603193686 . . . . . . . 8 GLN CA . 51835 1 28 . 1 . 1 8 8 GLN CB C 13 29.56736209 0.0329793393 . . . . . . . 8 GLN CB . 51835 1 29 . 1 . 1 8 8 GLN N N 15 120.4653927 0.0976870258 . . . . . . . 8 GLN N . 51835 1 30 . 1 . 1 9 9 GLU H H 1 8.384257337 0.0123917018 . . . . . . . 9 GLU H . 51835 1 31 . 1 . 1 9 9 GLU C C 13 174.4446998 . . . . . . . . 9 GLU C . 51835 1 32 . 1 . 1 9 9 GLU CA C 13 54.60983934 0.1086950542 . . . . . . . 9 GLU CA . 51835 1 33 . 1 . 1 9 9 GLU CB C 13 29.24825976 0.0354377156 . . . . . . . 9 GLU CB . 51835 1 34 . 1 . 1 9 9 GLU N N 15 123.6615226 0.0869890182 . . . . . . . 9 GLU N . 51835 1 35 . 1 . 1 10 10 PRO C C 13 177.1131864 . . . . . . . . 10 PRO C . 51835 1 36 . 1 . 1 10 10 PRO CA C 13 63.03930187 0.0394984867 . . . . . . . 10 PRO CA . 51835 1 37 . 1 . 1 10 10 PRO CB C 13 31.53884701 0.0373195267 . . . . . . . 10 PRO CB . 51835 1 38 . 1 . 1 11 11 THR H H 1 8.197601657 0.0143899255 . . . . . . . 11 THR H . 51835 1 39 . 1 . 1 11 11 THR C C 13 174.8588069 0.0029396698 . . . . . . . 11 THR C . 51835 1 40 . 1 . 1 11 11 THR CA C 13 61.32514738 0.1606568885 . . . . . . . 11 THR CA . 51835 1 41 . 1 . 1 11 11 THR CB C 13 70.52553828 0.0470854458 . . . . . . . 11 THR CB . 51835 1 42 . 1 . 1 11 11 THR N N 15 113.1251647 0.092676149 . . . . . . . 11 THR N . 51835 1 43 . 1 . 1 12 12 ALA H H 1 8.527873848 0.0138741192 . . . . . . . 12 ALA H . 51835 1 44 . 1 . 1 12 12 ALA C C 13 179.4118811 0.0308691843 . . . . . . . 12 ALA C . 51835 1 45 . 1 . 1 12 12 ALA CA C 13 54.17931455 0.032260012 . . . . . . . 12 ALA CA . 51835 1 46 . 1 . 1 12 12 ALA CB C 13 18.14964821 0.0337805742 . . . . . . . 12 ALA CB . 51835 1 47 . 1 . 1 12 12 ALA N N 15 124.2068547 0.1043020749 . . . . . . . 12 ALA N . 51835 1 48 . 1 . 1 13 13 GLU H H 1 8.435586993 0.0141052866 . . . . . . . 13 GLU H . 51835 1 49 . 1 . 1 13 13 GLU C C 13 177.8865312 0.0222843117 . . . . . . . 13 GLU C . 51835 1 50 . 1 . 1 13 13 GLU CA C 13 58.39333764 0.0828406245 . . . . . . . 13 GLU CA . 51835 1 51 . 1 . 1 13 13 GLU CB C 13 29.25962378 0.0635635421 . . . . . . . 13 GLU CB . 51835 1 52 . 1 . 1 13 13 GLU N N 15 118.6871871 0.0959544964 . . . . . . . 13 GLU N . 51835 1 53 . 1 . 1 14 14 GLN H H 1 7.956156007 0.0132084205 . . . . . . . 14 GLN H . 51835 1 54 . 1 . 1 14 14 GLN C C 13 177.7193799 0.0292607575 . . . . . . . 14 GLN C . 51835 1 55 . 1 . 1 14 14 GLN CA C 13 57.40923584 0.070270205 . . . . . . . 14 GLN CA . 51835 1 56 . 1 . 1 14 14 GLN CB C 13 28.65261931 0.037894945 . . . . . . . 14 GLN CB . 51835 1 57 . 1 . 1 14 14 GLN N N 15 120.577033 0.0965573239 . . . . . . . 14 GLN N . 51835 1 58 . 1 . 1 15 15 LEU H H 1 8.195538838 0.0150814901 . . . . . . . 15 LEU H . 51835 1 59 . 1 . 1 15 15 LEU C C 13 178.2553261 0.0382296019 . . . . . . . 15 LEU C . 51835 1 60 . 1 . 1 15 15 LEU CA C 13 56.38652507 0.050512423 . . . . . . . 15 LEU CA . 51835 1 61 . 1 . 1 15 15 LEU CB C 13 41.39440431 0.1115877318 . . . . . . . 15 LEU CB . 51835 1 62 . 1 . 1 15 15 LEU N N 15 121.2716177 0.1081029467 . . . . . . . 15 LEU N . 51835 1 63 . 1 . 1 16 16 ALA H H 1 7.944644391 0.0136104822 . . . . . . . 16 ALA H . 51835 1 64 . 1 . 1 16 16 ALA C C 13 178.5578628 . . . . . . . . 16 ALA C . 51835 1 65 . 1 . 1 16 16 ALA CA C 13 53.38132427 0.0355087174 . . . . . . . 16 ALA CA . 51835 1 66 . 1 . 1 16 16 ALA CB C 13 18.20450546 0.0361195899 . . . . . . . 16 ALA CB . 51835 1 67 . 1 . 1 16 16 ALA N N 15 122.5573658 0.0885571978 . . . . . . . 16 ALA N . 51835 1 68 . 1 . 1 17 17 GLN H H 1 7.886317808 0.0114916841 . . . . . . . 17 GLN H . 51835 1 69 . 1 . 1 17 17 GLN C C 13 176.729348 0.0073935424 . . . . . . . 17 GLN C . 51835 1 70 . 1 . 1 17 17 GLN CA C 13 56.61775293 0.0924775446 . . . . . . . 17 GLN CA . 51835 1 71 . 1 . 1 17 17 GLN CB C 13 28.62655718 0.0479352771 . . . . . . . 17 GLN CB . 51835 1 72 . 1 . 1 17 17 GLN N N 15 118.760924 0.0912243937 . . . . . . . 17 GLN N . 51835 1 73 . 1 . 1 18 18 ILE H H 1 7.902139552 0.0129408441 . . . . . . . 18 ILE H . 51835 1 74 . 1 . 1 18 18 ILE C C 13 176.6956688 0.0215104092 . . . . . . . 18 ILE C . 51835 1 75 . 1 . 1 18 18 ILE CA C 13 62.12938134 0.042550967 . . . . . . . 18 ILE CA . 51835 1 76 . 1 . 1 18 18 ILE CB C 13 38.1169053 0.0273730432 . . . . . . . 18 ILE CB . 51835 1 77 . 1 . 1 18 18 ILE N N 15 121.0778084 0.1139533358 . . . . . . . 18 ILE N . 51835 1 78 . 1 . 1 19 19 ALA H H 1 8.074873273 0.0137443536 . . . . . . . 19 ALA H . 51835 1 79 . 1 . 1 19 19 ALA C C 13 177.904327 0.0274803012 . . . . . . . 19 ALA C . 51835 1 80 . 1 . 1 19 19 ALA CA C 13 53.0657048 0.106895801 . . . . . . . 19 ALA CA . 51835 1 81 . 1 . 1 19 19 ALA CB C 13 18.63127634 0.1085520767 . . . . . . . 19 ALA CB . 51835 1 82 . 1 . 1 19 19 ALA N N 15 125.8997581 0.0992806267 . . . . . . . 19 ALA N . 51835 1 83 . 1 . 1 20 20 ALA H H 1 7.992532497 0.0141492019 . . . . . . . 20 ALA H . 51835 1 84 . 1 . 1 20 20 ALA C C 13 178.1842361 0.0399695326 . . . . . . . 20 ALA C . 51835 1 85 . 1 . 1 20 20 ALA CA C 13 52.92504481 0.0689202499 . . . . . . . 20 ALA CA . 51835 1 86 . 1 . 1 20 20 ALA CB C 13 18.73223501 0.0588609088 . . . . . . . 20 ALA CB . 51835 1 87 . 1 . 1 20 20 ALA N N 15 122.369427 0.0848977204 . . . . . . . 20 ALA N . 51835 1 88 . 1 . 1 21 21 GLU H H 1 8.156107814 0.011731853 . . . . . . . 21 GLU H . 51835 1 89 . 1 . 1 21 21 GLU C C 13 176.4979993 0.0349691182 . . . . . . . 21 GLU C . 51835 1 90 . 1 . 1 21 21 GLU CA C 13 57.00491967 0.0363473882 . . . . . . . 21 GLU CA . 51835 1 91 . 1 . 1 21 21 GLU CB C 13 29.63915974 0.0327637902 . . . . . . . 21 GLU CB . 51835 1 92 . 1 . 1 21 21 GLU N N 15 119.1846613 0.1248572749 . . . . . . . 21 GLU N . 51835 1 93 . 1 . 1 22 22 ASN H H 1 8.218033664 0.0123317623 . . . . . . . 22 ASN H . 51835 1 94 . 1 . 1 22 22 ASN C C 13 175.346095 0.0545595804 . . . . . . . 22 ASN C . 51835 1 95 . 1 . 1 22 22 ASN CA C 13 53.42417102 0.061548007 . . . . . . . 22 ASN CA . 51835 1 96 . 1 . 1 22 22 ASN CB C 13 39.08688148 0.0389890817 . . . . . . . 22 ASN CB . 51835 1 97 . 1 . 1 22 22 ASN N N 15 118.5272318 0.1014535924 . . . . . . . 22 ASN N . 51835 1 98 . 1 . 1 23 23 GLU C C 13 173.7110445 0 . . . . . . . 23 GLU C . 51835 1 99 . 1 . 1 23 23 GLU CA C 13 55.72083697 . . . . . . . . 23 GLU CA . 51835 1 100 . 1 . 1 23 23 GLU CB C 13 32.58061134 . . . . . . . . 23 GLU CB . 51835 1 101 . 1 . 1 24 24 GLU H H 1 8.318290838 0.0371149996 . . . . . . . 24 GLU H . 51835 1 102 . 1 . 1 24 24 GLU C C 13 176.5396887 0.2634418434 . . . . . . . 24 GLU C . 51835 1 103 . 1 . 1 24 24 GLU CA C 13 54.49788043 0.142431807 . . . . . . . 24 GLU CA . 51835 1 104 . 1 . 1 24 24 GLU CB C 13 31.65761063 0.0934694853 . . . . . . . 24 GLU CB . 51835 1 105 . 1 . 1 24 24 GLU N N 15 118.6120617 0.074066476 . . . . . . . 24 GLU N . 51835 1 106 . 1 . 1 25 25 ASP H H 1 8.157462987 0.0191093118 . . . . . . . 25 ASP H . 51835 1 107 . 1 . 1 25 25 ASP C C 13 176.5838798 0.0238003952 . . . . . . . 25 ASP C . 51835 1 108 . 1 . 1 25 25 ASP CA C 13 55.40360328 0.0467401732 . . . . . . . 25 ASP CA . 51835 1 109 . 1 . 1 25 25 ASP CB C 13 41.26641868 0.0863659777 . . . . . . . 25 ASP CB . 51835 1 110 . 1 . 1 25 25 ASP N N 15 120.9431402 0.0889708377 . . . . . . . 25 ASP N . 51835 1 111 . 1 . 1 26 26 GLU H H 1 8.36140319 0.0132630931 . . . . . . . 26 GLU H . 51835 1 112 . 1 . 1 26 26 GLU C C 13 176.5168534 . . . . . . . . 26 GLU C . 51835 1 113 . 1 . 1 26 26 GLU CA C 13 57.32545045 0.0615896687 . . . . . . . 26 GLU CA . 51835 1 114 . 1 . 1 26 26 GLU CB C 13 29.28275333 0.0441530196 . . . . . . . 26 GLU CB . 51835 1 115 . 1 . 1 26 26 GLU N N 15 121.4203371 0.0760018448 . . . . . . . 26 GLU N . 51835 1 116 . 1 . 1 27 27 HIS H H 1 8.284813029 0.0144383776 . . . . . . . 27 HIS H . 51835 1 117 . 1 . 1 27 27 HIS C C 13 176.4478455 . . . . . . . . 27 HIS C . 51835 1 118 . 1 . 1 27 27 HIS CA C 13 56.30595384 0.0992233898 . . . . . . . 27 HIS CA . 51835 1 119 . 1 . 1 27 27 HIS CB C 13 32.74331205 0.038970604 . . . . . . . 27 HIS CB . 51835 1 120 . 1 . 1 27 27 HIS N N 15 122.7932023 0.1038330805 . . . . . . . 27 HIS N . 51835 1 121 . 1 . 1 28 28 SER H H 1 8.350078385 0.0122127625 . . . . . . . 28 SER H . 51835 1 122 . 1 . 1 28 28 SER C C 13 176.3287643 0.1980247781 . . . . . . . 28 SER C . 51835 1 123 . 1 . 1 28 28 SER CA C 13 58.12774403 0.6040074733 . . . . . . . 28 SER CA . 51835 1 124 . 1 . 1 28 28 SER CB C 13 63.86134218 0.1249670294 . . . . . . . 28 SER CB . 51835 1 125 . 1 . 1 28 28 SER N N 15 117.1137757 0.1385621123 . . . . . . . 28 SER N . 51835 1 126 . 1 . 1 29 29 VAL H H 1 8.16377945 0.0111824017 . . . . . . . 29 VAL H . 51835 1 127 . 1 . 1 29 29 VAL C C 13 175.9907192 0.0249209224 . . . . . . . 29 VAL C . 51835 1 128 . 1 . 1 29 29 VAL CA C 13 63.0466464 0.0977525954 . . . . . . . 29 VAL CA . 51835 1 129 . 1 . 1 29 29 VAL CB C 13 31.77403291 0.0443402858 . . . . . . . 29 VAL CB . 51835 1 130 . 1 . 1 29 29 VAL N N 15 121.3145636 0.0907764769 . . . . . . . 29 VAL N . 51835 1 131 . 1 . 1 30 30 ASN H H 1 8.24723571 0.0182034557 . . . . . . . 30 ASN H . 51835 1 132 . 1 . 1 30 30 ASN C C 13 174.4785852 0.0192772243 . . . . . . . 30 ASN C . 51835 1 133 . 1 . 1 30 30 ASN CA C 13 53.11985864 0.1935126676 . . . . . . . 30 ASN CA . 51835 1 134 . 1 . 1 30 30 ASN CB C 13 38.77440528 0.1450580916 . . . . . . . 30 ASN CB . 51835 1 135 . 1 . 1 30 30 ASN N N 15 119.8741419 0.1140465893 . . . . . . . 30 ASN N . 51835 1 136 . 1 . 1 31 31 TYR H H 1 7.80564574 0.0139941026 . . . . . . . 31 TYR H . 51835 1 137 . 1 . 1 31 31 TYR C C 13 175.0075548 0.0732044764 . . . . . . . 31 TYR C . 51835 1 138 . 1 . 1 31 31 TYR CA C 13 58.53926823 0.0435829455 . . . . . . . 31 TYR CA . 51835 1 139 . 1 . 1 31 31 TYR CB C 13 38.44515002 0.0845398534 . . . . . . . 31 TYR CB . 51835 1 140 . 1 . 1 31 31 TYR N N 15 120.9531746 0.1207934695 . . . . . . . 31 TYR N . 51835 1 141 . 1 . 1 32 32 LYS H H 1 7.785802139 0.0132414271 . . . . . . . 32 LYS H . 51835 1 142 . 1 . 1 32 32 LYS C C 13 172.7485657 . . . . . . . . 32 LYS C . 51835 1 143 . 1 . 1 32 32 LYS CA C 13 53.15876182 0.0915326869 . . . . . . . 32 LYS CA . 51835 1 144 . 1 . 1 32 32 LYS CB C 13 32.63426466 0.0379048544 . . . . . . . 32 LYS CB . 51835 1 145 . 1 . 1 32 32 LYS N N 15 126.7556547 0.1065601123 . . . . . . . 32 LYS N . 51835 1 146 . 1 . 1 34 34 PRO C C 13 176.7238871 . . . . . . . . 34 PRO C . 51835 1 147 . 1 . 1 34 34 PRO CA C 13 63.05028679 . . . . . . . . 34 PRO CA . 51835 1 148 . 1 . 1 34 34 PRO CB C 13 31.53339082 . . . . . . . . 34 PRO CB . 51835 1 149 . 1 . 1 35 35 ALA H H 1 8.273030693 0.01904741812 . . . . . . . 35 ALA H . 51835 1 150 . 1 . 1 35 35 ALA C C 13 177.7834317 . . . . . . . . 35 ALA C . 51835 1 151 . 1 . 1 35 35 ALA CA C 13 52.42949493 0.0705807464 . . . . . . . 35 ALA CA . 51835 1 152 . 1 . 1 35 35 ALA CB C 13 18.84256681 0.0339968827 . . . . . . . 35 ALA CB . 51835 1 153 . 1 . 1 35 35 ALA N N 15 123.6411714 0.1015831035 . . . . . . . 35 ALA N . 51835 1 154 . 1 . 1 36 36 GLN H H 1 8.453850039 0.0109856295 . . . . . . . 36 GLN H . 51835 1 155 . 1 . 1 36 36 GLN C C 13 176.4806511 . . . . . . . . 36 GLN C . 51835 1 156 . 1 . 1 36 36 GLN CA C 13 56.79226369 0.0342846291 . . . . . . . 36 GLN CA . 51835 1 157 . 1 . 1 36 36 GLN CB C 13 29.75840038 0.0050398443 . . . . . . . 36 GLN CB . 51835 1 158 . 1 . 1 36 36 GLN N N 15 120.3232846 0.2143720849 . . . . . . . 36 GLN N . 51835 1 159 . 1 . 1 37 37 LYS H H 1 8.191841235 0.0137448944 . . . . . . . 37 LYS H . 51835 1 160 . 1 . 1 37 37 LYS C C 13 175.5291095 0.0661348737 . . . . . . . 37 LYS C . 51835 1 161 . 1 . 1 37 37 LYS CA C 13 56.84307736 0.4843241245 . . . . . . . 37 LYS CA . 51835 1 162 . 1 . 1 37 37 LYS CB C 13 29.65054422 0.0579405583 . . . . . . . 37 LYS CB . 51835 1 163 . 1 . 1 37 37 LYS N N 15 118.6282978 0.1035223391 . . . . . . . 37 LYS N . 51835 1 164 . 1 . 1 38 38 SER H H 1 7.982978102 0.01163290409 . . . . . . . 38 SER H . 51835 1 165 . 1 . 1 38 38 SER C C 13 175.1422336 0.2338350071 . . . . . . . 38 SER C . 51835 1 166 . 1 . 1 38 38 SER CA C 13 58.49767856 0.1342455009 . . . . . . . 38 SER CA . 51835 1 167 . 1 . 1 38 38 SER CB C 13 63.77844171 0.1747528612 . . . . . . . 38 SER CB . 51835 1 168 . 1 . 1 38 38 SER N N 15 116.028457 0.08562924759 . . . . . . . 38 SER N . 51835 1 169 . 1 . 1 39 39 ILE H H 1 8.154417945 0.0135163398 . . . . . . . 39 ILE H . 51835 1 170 . 1 . 1 39 39 ILE C C 13 176.411293 0.0280891655 . . . . . . . 39 ILE C . 51835 1 171 . 1 . 1 39 39 ILE CA C 13 61.71792506 0.0436276486 . . . . . . . 39 ILE CA . 51835 1 172 . 1 . 1 39 39 ILE CB C 13 38.13711177 0.0850641343 . . . . . . . 39 ILE CB . 51835 1 173 . 1 . 1 39 39 ILE N N 15 121.9859355 0.0783124683 . . . . . . . 39 ILE N . 51835 1 174 . 1 . 1 40 40 GLN H H 1 8.322117389 0.0134903028 . . . . . . . 40 GLN H . 51835 1 175 . 1 . 1 40 40 GLN C C 13 175.94208 0.0320935771 . . . . . . . 40 GLN C . 51835 1 176 . 1 . 1 40 40 GLN CA C 13 56.09148395 0.0479169914 . . . . . . . 40 GLN CA . 51835 1 177 . 1 . 1 40 40 GLN CB C 13 28.9887265 0.0178184872 . . . . . . . 40 GLN CB . 51835 1 178 . 1 . 1 40 40 GLN N N 15 123.5683243 0.0589380157 . . . . . . . 40 GLN N . 51835 1 179 . 1 . 1 41 41 GLU H H 1 8.21561583 0.0135337938 . . . . . . . 41 GLU H . 51835 1 180 . 1 . 1 41 41 GLU C C 13 175.4883552 . . . . . . . . 41 GLU C . 51835 1 181 . 1 . 1 41 41 GLU CA C 13 56.85233682 0.0504127264 . . . . . . . 41 GLU CA . 51835 1 182 . 1 . 1 41 41 GLU CB C 13 29.9510512 0.0810911453 . . . . . . . 41 GLU CB . 51835 1 183 . 1 . 1 41 41 GLU N N 15 121.8373219 0.0739428318 . . . . . . . 41 GLU N . 51835 1 184 . 1 . 1 42 42 ILE H H 1 8.076136598 0.0114626518 . . . . . . . 42 ILE H . 51835 1 185 . 1 . 1 42 42 ILE C C 13 175.8774956 0.8615823782 . . . . . . . 42 ILE C . 51835 1 186 . 1 . 1 42 42 ILE CA C 13 61.66831036 0.0352578557 . . . . . . . 42 ILE CA . 51835 1 187 . 1 . 1 42 42 ILE CB C 13 38.08552156 0.0679355102 . . . . . . . 42 ILE CB . 51835 1 188 . 1 . 1 42 42 ILE N N 15 121.6835408 0.1435092087 . . . . . . . 42 ILE N . 51835 1 189 . 1 . 1 43 43 GLN H H 1 8.244669551 0.0146588752 . . . . . . . 43 GLN H . 51835 1 190 . 1 . 1 43 43 GLN C C 13 175.975341 0.2043418537 . . . . . . . 43 GLN C . 51835 1 191 . 1 . 1 43 43 GLN CA C 13 56.35840177 0.0761622928 . . . . . . . 43 GLN CA . 51835 1 192 . 1 . 1 43 43 GLN CB C 13 28.94367997 0.0567976211 . . . . . . . 43 GLN CB . 51835 1 193 . 1 . 1 43 43 GLN N N 15 122.8812898 0.0833224833 . . . . . . . 43 GLN N . 51835 1 194 . 1 . 1 44 44 GLU H H 1 8.268520663 0.0119666799 . . . . . . . 44 GLU H . 51835 1 195 . 1 . 1 44 44 GLU C C 13 176.5029966 0.0370728286 . . . . . . . 44 GLU C . 51835 1 196 . 1 . 1 44 44 GLU CA C 13 56.58499077 0.0633954823 . . . . . . . 44 GLU CA . 51835 1 197 . 1 . 1 44 44 GLU CB C 13 29.87314901 0.1190061201 . . . . . . . 44 GLU CB . 51835 1 198 . 1 . 1 44 44 GLU N N 15 121.7080498 0.115123931 . . . . . . . 44 GLU N . 51835 1 199 . 1 . 1 45 45 LEU H H 1 8.083166631 0.0135900196 . . . . . . . 45 LEU H . 51835 1 200 . 1 . 1 45 45 LEU C C 13 177.1397737 0.0228269844 . . . . . . . 45 LEU C . 51835 1 201 . 1 . 1 45 45 LEU CA C 13 55.38773697 0.0388126801 . . . . . . . 45 LEU CA . 51835 1 202 . 1 . 1 45 45 LEU CB C 13 41.90390514 0.0598902153 . . . . . . . 45 LEU CB . 51835 1 203 . 1 . 1 45 45 LEU N N 15 122.4223054 0.0822633285 . . . . . . . 45 LEU N . 51835 1 204 . 1 . 1 46 46 ASP H H 1 8.275098114 0.0159923909 . . . . . . . 46 ASP H . 51835 1 205 . 1 . 1 46 46 ASP C C 13 176.3284605 0.025812931 . . . . . . . 46 ASP C . 51835 1 206 . 1 . 1 46 46 ASP CA C 13 54.66079839 0.1161059797 . . . . . . . 46 ASP CA . 51835 1 207 . 1 . 1 46 46 ASP CB C 13 41.15289968 0.0646842326 . . . . . . . 46 ASP CB . 51835 1 208 . 1 . 1 46 46 ASP N N 15 120.6012824 0.0942629176 . . . . . . . 46 ASP N . 51835 1 209 . 1 . 1 47 47 LYS H H 1 8.054673056 0.0139888098 . . . . . . . 47 LYS H . 51835 1 210 . 1 . 1 47 47 LYS C C 13 176.4048213 0.99969084 . . . . . . . 47 LYS C . 51835 1 211 . 1 . 1 47 47 LYS CA C 13 56.53446794 0.0459989939 . . . . . . . 47 LYS CA . 51835 1 212 . 1 . 1 47 47 LYS CB C 13 32.5094668 0.0200082463 . . . . . . . 47 LYS CB . 51835 1 213 . 1 . 1 47 47 LYS N N 15 120.9970029 0.0765768495 . . . . . . . 47 LYS N . 51835 1 214 . 1 . 1 48 48 ASP H H 1 8.256256666 0.0166702668 . . . . . . . 48 ASP H . 51835 1 215 . 1 . 1 48 48 ASP C C 13 176.9735676 0.054312627 . . . . . . . 48 ASP C . 51835 1 216 . 1 . 1 48 48 ASP CA C 13 54.26120269 0.4311994388 . . . . . . . 48 ASP CA . 51835 1 217 . 1 . 1 48 48 ASP CB C 13 40.97559343 0.0897230996 . . . . . . . 48 ASP CB . 51835 1 218 . 1 . 1 48 48 ASP N N 15 120.5233821 0.0895651422 . . . . . . . 48 ASP N . 51835 1 219 . 1 . 1 49 49 ASP H H 1 8.44474767 0.0115800563 . . . . . . . 49 ASP H . 51835 1 220 . 1 . 1 49 49 ASP C C 13 180.1958467 . . . . . . . . 49 ASP C . 51835 1 221 . 1 . 1 49 49 ASP CA C 13 56.03424545 0.4070005609 . . . . . . . 49 ASP CA . 51835 1 222 . 1 . 1 49 49 ASP CB C 13 40.97487547 0.2224182076 . . . . . . . 49 ASP CB . 51835 1 223 . 1 . 1 49 49 ASP N N 15 126.716167 0.0735642122 . . . . . . . 49 ASP N . 51835 1 224 . 1 . 1 50 50 GLU H H 1 8.456770535 0.1095679021 . . . . . . . 50 GLU H . 51835 1 225 . 1 . 1 50 50 GLU C C 13 178.0143082 0.0589995012 . . . . . . . 50 GLU C . 51835 1 226 . 1 . 1 50 50 GLU CA C 13 58.71141024 0.0656459227 . . . . . . . 50 GLU CA . 51835 1 227 . 1 . 1 50 50 GLU CB C 13 29.11676402 0.0308998169 . . . . . . . 50 GLU CB . 51835 1 228 . 1 . 1 50 50 GLU N N 15 121.8251551 1.14357626 . . . . . . . 50 GLU N . 51835 1 229 . 1 . 1 51 51 SER H H 1 8.232048853 0.1926246039 . . . . . . . 51 SER H . 51835 1 230 . 1 . 1 51 51 SER C C 13 177.9315665 0.0587128964 . . . . . . . 51 SER C . 51835 1 231 . 1 . 1 51 51 SER CA C 13 61.21088391 0.0687782339 . . . . . . . 51 SER CA . 51835 1 232 . 1 . 1 51 51 SER CB C 13 62.60939842 0.0282076485 . . . . . . . 51 SER CB . 51835 1 233 . 1 . 1 51 51 SER N N 15 115.3718237 0.3120349533 . . . . . . . 51 SER N . 51835 1 234 . 1 . 1 52 52 LEU H H 1 7.852834292 0.0143554375 . . . . . . . 52 LEU H . 51835 1 235 . 1 . 1 52 52 LEU C C 13 178.4216595 0.0464091132 . . . . . . . 52 LEU C . 51835 1 236 . 1 . 1 52 52 LEU CA C 13 56.73703552 0.0321788585 . . . . . . . 52 LEU CA . 51835 1 237 . 1 . 1 52 52 LEU CB C 13 41.14233544 0.0269858528 . . . . . . . 52 LEU CB . 51835 1 238 . 1 . 1 52 52 LEU N N 15 122.5901992 0.078553632 . . . . . . . 52 LEU N . 51835 1 239 . 1 . 1 53 53 ARG H H 1 7.899887995 0.0144797952 . . . . . . . 53 ARG H . 51835 1 240 . 1 . 1 53 53 ARG C C 13 177.9754126 . . . . . . . . 53 ARG C . 51835 1 241 . 1 . 1 53 53 ARG CA C 13 58.7648651 0.0495895402 . . . . . . . 53 ARG CA . 51835 1 242 . 1 . 1 53 53 ARG CB C 13 29.61602357 0.039244492 . . . . . . . 53 ARG CB . 51835 1 243 . 1 . 1 53 53 ARG N N 15 119.7507749 0.0859088542 . . . . . . . 53 ARG N . 51835 1 244 . 1 . 1 57 57 GLU H H 1 8.034537979 0.0489971349 . . . . . . . 57 GLU H . 51835 1 245 . 1 . 1 57 57 GLU C C 13 178.0008593 0.0284258513 . . . . . . . 57 GLU C . 51835 1 246 . 1 . 1 57 57 GLU CA C 13 58.26014064 0.1292296276 . . . . . . . 57 GLU CA . 51835 1 247 . 1 . 1 57 57 GLU CB C 13 29.47270901 0.1414972886 . . . . . . . 57 GLU CB . 51835 1 248 . 1 . 1 57 57 GLU N N 15 119.0367411 0.1063796718 . . . . . . . 57 GLU N . 51835 1 249 . 1 . 1 58 58 ALA H H 1 7.85678404 0.013261675 . . . . . . . 58 ALA H . 51835 1 250 . 1 . 1 58 58 ALA C C 13 178.9491124 0.0007688768 . . . . . . . 58 ALA C . 51835 1 251 . 1 . 1 58 58 ALA CA C 13 53.65322026 0.1566633709 . . . . . . . 58 ALA CA . 51835 1 252 . 1 . 1 58 58 ALA CB C 13 18.07231773 0.0402489322 . . . . . . . 58 ALA CB . 51835 1 253 . 1 . 1 58 58 ALA N N 15 122.6031093 0.0567423506 . . . . . . . 58 ALA N . 51835 1 254 . 1 . 1 59 59 LEU H H 1 7.734273181 0.0145611623 . . . . . . . 59 LEU H . 51835 1 255 . 1 . 1 59 59 LEU C C 13 178.6224056 0.3115688943 . . . . . . . 59 LEU C . 51835 1 256 . 1 . 1 59 59 LEU CA C 13 56.19807753 0.1099976751 . . . . . . . 59 LEU CA . 51835 1 257 . 1 . 1 59 59 LEU CB C 13 41.47248469 0.0636098999 . . . . . . . 59 LEU CB . 51835 1 258 . 1 . 1 59 59 LEU N N 15 119.4361656 0.1281160525 . . . . . . . 59 LEU N . 51835 1 259 . 1 . 1 60 60 LEU H H 1 7.767901331 0.0102415509 . . . . . . . 60 LEU H . 51835 1 260 . 1 . 1 60 60 LEU C C 13 178.2111798 0.0301875014 . . . . . . . 60 LEU C . 51835 1 261 . 1 . 1 60 60 LEU CA C 13 56.04395402 0.1469533361 . . . . . . . 60 LEU CA . 51835 1 262 . 1 . 1 60 60 LEU CB C 13 41.46344195 0.0415577539 . . . . . . . 60 LEU CB . 51835 1 263 . 1 . 1 60 60 LEU N N 15 119.8702346 0.1031464424 . . . . . . . 60 LEU N . 51835 1 264 . 1 . 1 61 61 GLY H H 1 8.017920422 0.0158222226 . . . . . . . 61 GLY H . 51835 1 265 . 1 . 1 61 61 GLY C C 13 174.1278541 0.0026575473 . . . . . . . 61 GLY C . 51835 1 266 . 1 . 1 61 61 GLY CA C 13 45.46860845 0.0263806539 . . . . . . . 61 GLY CA . 51835 1 267 . 1 . 1 61 61 GLY N N 15 107.6541273 0.1252583321 . . . . . . . 61 GLY N . 51835 1 268 . 1 . 1 62 62 ARG H H 1 7.859070595 0.0146647212 . . . . . . . 62 ARG H . 51835 1 269 . 1 . 1 62 62 ARG C C 13 176.2910508 0.004736199 . . . . . . . 62 ARG C . 51835 1 270 . 1 . 1 62 62 ARG CA C 13 56.2524023 0.0853143636 . . . . . . . 62 ARG CA . 51835 1 271 . 1 . 1 62 62 ARG CB C 13 30.25820302 0.0445690737 . . . . . . . 62 ARG CB . 51835 1 272 . 1 . 1 62 62 ARG N N 15 119.8744572 0.1011076726 . . . . . . . 62 ARG N . 51835 1 273 . 1 . 1 63 63 VAL H H 1 7.980786681 0.0155096293 . . . . . . . 63 VAL H . 51835 1 274 . 1 . 1 63 63 VAL C C 13 175.7769846 . . . . . . . . 63 VAL C . 51835 1 275 . 1 . 1 63 63 VAL CA C 13 62.18254199 0.0756796209 . . . . . . . 63 VAL CA . 51835 1 276 . 1 . 1 63 63 VAL CB C 13 32.29611533 0.0847166586 . . . . . . . 63 VAL CB . 51835 1 277 . 1 . 1 63 63 VAL N N 15 120.9011086 0.1195636442 . . . . . . . 63 VAL N . 51835 1 278 . 1 . 1 64 64 ALA H H 1 8.253285654 0.0151744116 . . . . . . . 64 ALA H . 51835 1 279 . 1 . 1 64 64 ALA C C 13 177.8167547 0.232139324 . . . . . . . 64 ALA C . 51835 1 280 . 1 . 1 64 64 ALA CA C 13 52.29876095 0.0745763667 . . . . . . . 64 ALA CA . 51835 1 281 . 1 . 1 64 64 ALA CB C 13 18.90949672 0.026153737 . . . . . . . 64 ALA CB . 51835 1 282 . 1 . 1 64 64 ALA N N 15 126.1684257 2.962918798 . . . . . . . 64 ALA N . 51835 1 283 . 1 . 1 65 65 VAL H H 1 8.021490573 0.0296395862 . . . . . . . 65 VAL H . 51835 1 284 . 1 . 1 65 65 VAL C C 13 176.3892442 0.1933160679 . . . . . . . 65 VAL C . 51835 1 285 . 1 . 1 65 65 VAL CA C 13 62.22045043 0.0498951853 . . . . . . . 65 VAL CA . 51835 1 286 . 1 . 1 65 65 VAL CB C 13 32.25162786 0.1482930396 . . . . . . . 65 VAL CB . 51835 1 287 . 1 . 1 65 65 VAL N N 15 118.9896966 0.1318952938 . . . . . . . 65 VAL N . 51835 1 288 . 1 . 1 66 66 SER H H 1 8.193083307 0.01297362453 . . . . . . . 66 SER H . 51835 1 289 . 1 . 1 66 66 SER C C 13 173.9903725 0.0294096239 . . . . . . . 66 SER C . 51835 1 290 . 1 . 1 66 66 SER CA C 13 58.18873421 0.0361716018 . . . . . . . 66 SER CA . 51835 1 291 . 1 . 1 66 66 SER CB C 13 63.59016825 0.0308556321 . . . . . . . 66 SER CB . 51835 1 292 . 1 . 1 66 66 SER N N 15 118.4790583 0.03743088924 . . . . . . . 66 SER N . 51835 1 293 . 1 . 1 67 67 ALA H H 1 8.215659401 0.0142865581 . . . . . . . 67 ALA H . 51835 1 294 . 1 . 1 67 67 ALA C C 13 176.7779938 0.0180398581 . . . . . . . 67 ALA C . 51835 1 295 . 1 . 1 67 67 ALA CA C 13 52.06688278 0.0374396644 . . . . . . . 67 ALA CA . 51835 1 296 . 1 . 1 67 67 ALA CB C 13 18.99316748 0.0328081219 . . . . . . . 67 ALA CB . 51835 1 297 . 1 . 1 67 67 ALA N N 15 125.8448552 0.0834113506 . . . . . . . 67 ALA N . 51835 1 298 . 1 . 1 68 68 ASP H H 1 8.113368379 0.01715026972 . . . . . . . 68 ASP H . 51835 1 299 . 1 . 1 68 68 ASP C C 13 175.1318696 . . . . . . . . 68 ASP C . 51835 1 300 . 1 . 1 68 68 ASP CA C 13 52.05107778 0.0610756279 . . . . . . . 68 ASP CA . 51835 1 301 . 1 . 1 68 68 ASP CB C 13 41.20254127 0.0352879417 . . . . . . . 68 ASP CB . 51835 1 302 . 1 . 1 68 68 ASP N N 15 121.5969439 0.0936306739 . . . . . . . 68 ASP N . 51835 1 303 . 1 . 1 69 69 PRO C C 13 176.8669252 . . . . . . . . 69 PRO C . 51835 1 304 . 1 . 1 69 69 PRO CA C 13 63.63691812 . . . . . . . . 69 PRO CA . 51835 1 305 . 1 . 1 69 69 PRO CB C 13 31.74987372 . . . . . . . . 69 PRO CB . 51835 1 306 . 1 . 1 70 70 ASN H H 1 8.491760415 0.01341377657 . . . . . . . 70 ASN H . 51835 1 307 . 1 . 1 70 70 ASN C C 13 175.0961742 0.0263370982 . . . . . . . 70 ASN C . 51835 1 308 . 1 . 1 70 70 ASN CA C 13 53.44678615 0.0378549634 . . . . . . . 70 ASN CA . 51835 1 309 . 1 . 1 70 70 ASN CB C 13 38.76399199 0.0368872636 . . . . . . . 70 ASN CB . 51835 1 310 . 1 . 1 70 70 ASN N N 15 117.0802751 0.08537842724 . . . . . . . 70 ASN N . 51835 1 311 . 1 . 1 71 71 VAL H H 1 7.541604219 0.0158699284 . . . . . . . 71 VAL H . 51835 1 312 . 1 . 1 71 71 VAL C C 13 173.7443105 . . . . . . . . 71 VAL C . 51835 1 313 . 1 . 1 71 71 VAL CA C 13 59.79358537 0.0756272041 . . . . . . . 71 VAL CA . 51835 1 314 . 1 . 1 71 71 VAL CB C 13 32.13606781 0.0412206438 . . . . . . . 71 VAL CB . 51835 1 315 . 1 . 1 71 71 VAL N N 15 120.6367208 0.1306077853 . . . . . . . 71 VAL N . 51835 1 316 . 1 . 1 72 72 PRO C C 13 175.988104 . . . . . . . . 72 PRO C . 51835 1 317 . 1 . 1 72 72 PRO CA C 13 62.84805307 . . . . . . . . 72 PRO CA . 51835 1 318 . 1 . 1 72 72 PRO CB C 13 31.81339206 . . . . . . . . 72 PRO CB . 51835 1 319 . 1 . 1 73 73 ASN H H 1 8.866521041 0.01527990954 . . . . . . . 73 ASN H . 51835 1 320 . 1 . 1 73 73 ASN C C 13 174.3162655 0.0074861485 . . . . . . . 73 ASN C . 51835 1 321 . 1 . 1 73 73 ASN CA C 13 56.79591924 0.0461714593 . . . . . . . 73 ASN CA . 51835 1 322 . 1 . 1 73 73 ASN CB C 13 39.30212137 0.0242813759 . . . . . . . 73 ASN CB . 51835 1 323 . 1 . 1 73 73 ASN N N 15 118.2999874 0.0913701245 . . . . . . . 73 ASN N . 51835 1 324 . 1 . 1 74 74 VAL H H 1 7.64361875 0.0140478645 . . . . . . . 74 VAL H . 51835 1 325 . 1 . 1 74 74 VAL C C 13 175.4583356 . . . . . . . . 74 VAL C . 51835 1 326 . 1 . 1 74 74 VAL CA C 13 60.15772912 0.0703304449 . . . . . . . 74 VAL CA . 51835 1 327 . 1 . 1 74 74 VAL CB C 13 32.79967257 0.0379189363 . . . . . . . 74 VAL CB . 51835 1 328 . 1 . 1 74 74 VAL N N 15 113.8096854 0.0742990013 . . . . . . . 74 VAL N . 51835 1 329 . 1 . 1 76 76 VAL C C 13 175.6578487 . . . . . . . . 76 VAL C . 51835 1 330 . 1 . 1 76 76 VAL CB C 13 29.58255551 0 . . . . . . . 76 VAL CB . 51835 1 331 . 1 . 1 77 77 THR H H 1 8.606013929 0.0142087578 . . . . . . . 77 THR H . 51835 1 332 . 1 . 1 77 77 THR C C 13 177.3451837 0.0136300846 . . . . . . . 77 THR C . 51835 1 333 . 1 . 1 77 77 THR CA C 13 62.7616061 0.0401695722 . . . . . . . 77 THR CA . 51835 1 334 . 1 . 1 77 77 THR CB C 13 68.70198975 0.03671438 . . . . . . . 77 THR CB . 51835 1 335 . 1 . 1 77 77 THR N N 15 116.2135766 0.0641593808 . . . . . . . 77 THR N . 51835 1 336 . 1 . 1 78 78 ARG H H 1 7.284123108 0.014715274 . . . . . . . 78 ARG H . 51835 1 337 . 1 . 1 78 78 ARG C C 13 172.7853249 0.0059073879 . . . . . . . 78 ARG C . 51835 1 338 . 1 . 1 78 78 ARG CA C 13 56.36934338 0.0358306514 . . . . . . . 78 ARG CA . 51835 1 339 . 1 . 1 78 78 ARG CB C 13 34.66386138 0.0413567683 . . . . . . . 78 ARG CB . 51835 1 340 . 1 . 1 78 78 ARG N N 15 123.3767757 0.0648548777 . . . . . . . 78 ARG N . 51835 1 341 . 1 . 1 79 79 LEU H H 1 8.051108187 0.0098518622 . . . . . . . 79 LEU H . 51835 1 342 . 1 . 1 79 79 LEU C C 13 174.3367754 0.0132621215 . . . . . . . 79 LEU C . 51835 1 343 . 1 . 1 79 79 LEU CA C 13 53.61369298 0.397559667 . . . . . . . 79 LEU CA . 51835 1 344 . 1 . 1 79 79 LEU CB C 13 41.24309593 3.320298187 . . . . . . . 79 LEU CB . 51835 1 345 . 1 . 1 79 79 LEU N N 15 125.1517155 0.0725711684 . . . . . . . 79 LEU N . 51835 1 346 . 1 . 1 80 80 THR H H 1 9.292995032 0.0136826988 . . . . . . . 80 THR H . 51835 1 347 . 1 . 1 80 80 THR C C 13 172.7716218 0.0200201109 . . . . . . . 80 THR C . 51835 1 348 . 1 . 1 80 80 THR CA C 13 61.24889606 0.073806062 . . . . . . . 80 THR CA . 51835 1 349 . 1 . 1 80 80 THR CB C 13 71.42672964 0.0272938392 . . . . . . . 80 THR CB . 51835 1 350 . 1 . 1 80 80 THR N N 15 122.6702904 0.0756678227 . . . . . . . 80 THR N . 51835 1 351 . 1 . 1 81 81 LEU H H 1 8.672757714 0.0142606321 . . . . . . . 81 LEU H . 51835 1 352 . 1 . 1 81 81 LEU C C 13 175.0144964 0.0504625376 . . . . . . . 81 LEU C . 51835 1 353 . 1 . 1 81 81 LEU CA C 13 54.73404875 0.0705544844 . . . . . . . 81 LEU CA . 51835 1 354 . 1 . 1 81 81 LEU CB C 13 41.44846918 0.0507372664 . . . . . . . 81 LEU CB . 51835 1 355 . 1 . 1 81 81 LEU N N 15 127.6591183 0.1251149793 . . . . . . . 81 LEU N . 51835 1 356 . 1 . 1 82 82 VAL H H 1 8.980762457 0.0161428701 . . . . . . . 82 VAL H . 51835 1 357 . 1 . 1 82 82 VAL C C 13 175.9171729 . . . . . . . . 82 VAL C . 51835 1 358 . 1 . 1 82 82 VAL CA C 13 61.52359431 0.0422705978 . . . . . . . 82 VAL CA . 51835 1 359 . 1 . 1 82 82 VAL CB C 13 32.51666914 0.0516850166 . . . . . . . 82 VAL CB . 51835 1 360 . 1 . 1 82 82 VAL N N 15 125.9096142 0.0540426161 . . . . . . . 82 VAL N . 51835 1 361 . 1 . 1 84 84 SER H H 1 7.844764374 0 . . . . . . . 84 SER H . 51835 1 362 . 1 . 1 84 84 SER C C 13 176.5165126 0 . . . . . . . 84 SER C . 51835 1 363 . 1 . 1 84 84 SER CA C 13 63.56662358 0 . . . . . . . 84 SER CA . 51835 1 364 . 1 . 1 84 84 SER CB C 13 67.94601604 0 . . . . . . . 84 SER CB . 51835 1 365 . 1 . 1 84 84 SER N N 15 117.8510987 0 . . . . . . . 84 SER N . 51835 1 366 . 1 . 1 85 85 THR H H 1 8.586673558 0.00998746783 . . . . . . . 85 THR H . 51835 1 367 . 1 . 1 85 85 THR C C 13 174.850711 0.0355048923 . . . . . . . 85 THR C . 51835 1 368 . 1 . 1 85 85 THR CA C 13 61.40473619 0.155020792 . . . . . . . 85 THR CA . 51835 1 369 . 1 . 1 85 85 THR CB C 13 70.72092303 0.0604835345 . . . . . . . 85 THR CB . 51835 1 370 . 1 . 1 85 85 THR N N 15 114.2305785 0.05460694891 . . . . . . . 85 THR N . 51835 1 371 . 1 . 1 86 86 ALA H H 1 8.722519849 0.0186792708 . . . . . . . 86 ALA H . 51835 1 372 . 1 . 1 86 86 ALA C C 13 179.9874858 . . . . . . . . 86 ALA C . 51835 1 373 . 1 . 1 86 86 ALA CA C 13 54.66905367 0.0507671688 . . . . . . . 86 ALA CA . 51835 1 374 . 1 . 1 86 86 ALA CB C 13 17.9052638 0.0432129636 . . . . . . . 86 ALA CB . 51835 1 375 . 1 . 1 86 86 ALA N N 15 123.6377799 0.0805614895 . . . . . . . 86 ALA N . 51835 1 376 . 1 . 1 87 87 PRO C C 13 175.9635047 . . . . . . . . 87 PRO C . 51835 1 377 . 1 . 1 87 87 PRO CA C 13 63.71167891 0.1730200499 . . . . . . . 87 PRO CA . 51835 1 378 . 1 . 1 87 87 PRO CB C 13 31.13921534 . . . . . . . . 87 PRO CB . 51835 1 379 . 1 . 1 88 88 GLY H H 1 7.033123812 0.01756981216 . . . . . . . 88 GLY H . 51835 1 380 . 1 . 1 88 88 GLY C C 13 170.4511499 . . . . . . . . 88 GLY C . 51835 1 381 . 1 . 1 88 88 GLY CA C 13 44.307279 0.0409921285 . . . . . . . 88 GLY CA . 51835 1 382 . 1 . 1 88 88 GLY N N 15 105.7940002 0.09925153355 . . . . . . . 88 GLY N . 51835 1 383 . 1 . 1 90 90 LEU C C 13 174.0594129 0 . . . . . . . 90 LEU C . 51835 1 384 . 1 . 1 91 91 GLU H H 1 9.028899373 0.0148324786 . . . . . . . 91 GLU H . 51835 1 385 . 1 . 1 91 91 GLU C C 13 172.9189027 0.0062675166 . . . . . . . 91 GLU C . 51835 1 386 . 1 . 1 91 91 GLU CA C 13 55.49211679 0.0624156682 . . . . . . . 91 GLU CA . 51835 1 387 . 1 . 1 91 91 GLU CB C 13 28.74847401 0.0889244887 . . . . . . . 91 GLU CB . 51835 1 388 . 1 . 1 91 91 GLU N N 15 119.2845872 0.0793617017 . . . . . . . 91 GLU N . 51835 1 389 . 1 . 1 92 92 LEU H H 1 9.274262222 0.0176184233 . . . . . . . 92 LEU H . 51835 1 390 . 1 . 1 92 92 LEU C C 13 173.2910002 . . . . . . . . 92 LEU C . 51835 1 391 . 1 . 1 92 92 LEU CA C 13 53.15711808 0.039129006 . . . . . . . 92 LEU CA . 51835 1 392 . 1 . 1 92 92 LEU CB C 13 43.08523542 0.2817695166 . . . . . . . 92 LEU CB . 51835 1 393 . 1 . 1 92 92 LEU N N 15 115.5113864 0.0614714632 . . . . . . . 92 LEU N . 51835 1 394 . 1 . 1 93 93 ASP H H 1 8.521404485 0.0120338958 . . . . . . . 93 ASP H . 51835 1 395 . 1 . 1 93 93 ASP C C 13 176.8825768 0.0427728842 . . . . . . . 93 ASP C . 51835 1 396 . 1 . 1 93 93 ASP CA C 13 53.40977406 0.0506657376 . . . . . . . 93 ASP CA . 51835 1 397 . 1 . 1 93 93 ASP CB C 13 39.42990757 0.0257170652 . . . . . . . 93 ASP CB . 51835 1 398 . 1 . 1 93 93 ASP N N 15 121.4739282 0.0933411583 . . . . . . . 93 ASP N . 51835 1 399 . 1 . 1 94 94 LEU H H 1 7.38923306 0.0134621638 . . . . . . . 94 LEU H . 51835 1 400 . 1 . 1 94 94 LEU C C 13 177.0185035 0 . . . . . . . 94 LEU C . 51835 1 401 . 1 . 1 94 94 LEU CA C 13 55.19333344 0.0362823101 . . . . . . . 94 LEU CA . 51835 1 402 . 1 . 1 94 94 LEU CB C 13 38.86001866 0.036579554 . . . . . . . 94 LEU CB . 51835 1 403 . 1 . 1 94 94 LEU N N 15 125.0118208 0.1257050249 . . . . . . . 94 LEU N . 51835 1 404 . 1 . 1 95 95 THR H H 1 8.425922441 0.0132203799 . . . . . . . 95 THR H . 51835 1 405 . 1 . 1 95 95 THR C C 13 175.145183 0.0064819601 . . . . . . . 95 THR C . 51835 1 406 . 1 . 1 95 95 THR CA C 13 62.44265956 0.1255297882 . . . . . . . 95 THR CA . 51835 1 407 . 1 . 1 95 95 THR CB C 13 69.62669827 0.0577333494 . . . . . . . 95 THR CB . 51835 1 408 . 1 . 1 95 95 THR N N 15 110.1032813 0.13239233 . . . . . . . 95 THR N . 51835 1 409 . 1 . 1 96 96 GLY H H 1 7.273457322 0.0174111054 . . . . . . . 96 GLY H . 51835 1 410 . 1 . 1 96 96 GLY C C 13 172.6818747 0.01705704249 . . . . . . . 96 GLY C . 51835 1 411 . 1 . 1 96 96 GLY CA C 13 44.2152531 0.08427559389 . . . . . . . 96 GLY CA . 51835 1 412 . 1 . 1 96 96 GLY N N 15 110.0742229 0.067104734 . . . . . . . 96 GLY N . 51835 1 413 . 1 . 1 97 97 ASP H H 1 8.142581271 0.01555084336 . . . . . . . 97 ASP H . 51835 1 414 . 1 . 1 97 97 ASP C C 13 176.8317948 . . . . . . . . 97 ASP C . 51835 1 415 . 1 . 1 97 97 ASP CA C 13 53.66257713 0.0400975238 . . . . . . . 97 ASP CA . 51835 1 416 . 1 . 1 97 97 ASP CB C 13 40.41936938 0.0371514387 . . . . . . . 97 ASP CB . 51835 1 417 . 1 . 1 97 97 ASP N N 15 119.9591569 0.09258732965 . . . . . . . 97 ASP N . 51835 1 418 . 1 . 1 98 98 LEU C C 13 180.1853452 0 . . . . . . . 98 LEU C . 51835 1 419 . 1 . 1 98 98 LEU CA C 13 56.63305998 0.3053790749 . . . . . . . 98 LEU CA . 51835 1 420 . 1 . 1 98 98 LEU CB C 13 41.11607653 0.0200686749 . . . . . . . 98 LEU CB . 51835 1 421 . 1 . 1 99 99 GLU H H 1 8.127866424 0.0291441643 . . . . . . . 99 GLU H . 51835 1 422 . 1 . 1 99 99 GLU C C 13 179.84697 0.004816854807 . . . . . . . 99 GLU C . 51835 1 423 . 1 . 1 99 99 GLU CA C 13 58.45597372 0.2168305896 . . . . . . . 99 GLU CA . 51835 1 424 . 1 . 1 99 99 GLU CB C 13 28.61730392 0.0330547404 . . . . . . . 99 GLU CB . 51835 1 425 . 1 . 1 99 99 GLU N N 15 118.2450079 0.1118525243 . . . . . . . 99 GLU N . 51835 1 426 . 1 . 1 100 100 SER H H 1 7.579010983 0.01048345521 . . . . . . . 100 SER H . 51835 1 427 . 1 . 1 100 100 SER C C 13 176.9881472 . . . . . . . . 100 SER C . 51835 1 428 . 1 . 1 100 100 SER CA C 13 61.26207112 0.04040213839 . . . . . . . 100 SER CA . 51835 1 429 . 1 . 1 100 100 SER CB C 13 62.902228 0.03092763194 . . . . . . . 100 SER CB . 51835 1 430 . 1 . 1 100 100 SER N N 15 114.295695 0.08346185613 . . . . . . . 100 SER N . 51835 1 431 . 1 . 1 101 101 PHE H H 1 6.992551217 0.01676258267 . . . . . . . 101 PHE H . 51835 1 432 . 1 . 1 101 101 PHE C C 13 178.1675602 0.01862161457 . . . . . . . 101 PHE C . 51835 1 433 . 1 . 1 101 101 PHE CA C 13 57.42599713 0.07563582801 . . . . . . . 101 PHE CA . 51835 1 434 . 1 . 1 101 101 PHE CB C 13 37.02726242 0.0631134324 . . . . . . . 101 PHE CB . 51835 1 435 . 1 . 1 101 101 PHE N N 15 120.0399799 0.07890257667 . . . . . . . 101 PHE N . 51835 1 436 . 1 . 1 102 102 LYS H H 1 7.502774891 0.01472940543 . . . . . . . 102 LYS H . 51835 1 437 . 1 . 1 102 102 LYS C C 13 177.3366358 0.007965321282 . . . . . . . 102 LYS C . 51835 1 438 . 1 . 1 102 102 LYS CA C 13 58.97699354 0.02702798129 . . . . . . . 102 LYS CA . 51835 1 439 . 1 . 1 102 102 LYS CB C 13 31.99788079 0.06144166678 . . . . . . . 102 LYS CB . 51835 1 440 . 1 . 1 102 102 LYS N N 15 115.8449422 0.07497642544 . . . . . . . 102 LYS N . 51835 1 441 . 1 . 1 103 103 LYS H H 1 7.280174634 0.01387736364 . . . . . . . 103 LYS H . 51835 1 442 . 1 . 1 103 103 LYS C C 13 175.5155227 0.01651844701 . . . . . . . 103 LYS C . 51835 1 443 . 1 . 1 103 103 LYS CA C 13 55.58933362 0.08040281042 . . . . . . . 103 LYS CA . 51835 1 444 . 1 . 1 103 103 LYS CB C 13 32.2208361 0.0364278257 . . . . . . . 103 LYS CB . 51835 1 445 . 1 . 1 103 103 LYS N N 15 115.1630147 0.07674754316 . . . . . . . 103 LYS N . 51835 1 446 . 1 . 1 104 104 GLN H H 1 7.400468746 0.01291831495 . . . . . . . 104 GLN H . 51835 1 447 . 1 . 1 104 104 GLN C C 13 174.0825022 0.1556806835 . . . . . . . 104 GLN C . 51835 1 448 . 1 . 1 104 104 GLN CA C 13 54.38864884 0.09703089856 . . . . . . . 104 GLN CA . 51835 1 449 . 1 . 1 104 104 GLN CB C 13 31.33477008 0.1663797375 . . . . . . . 104 GLN CB . 51835 1 450 . 1 . 1 104 104 GLN N N 15 118.6277049 0.0729350833 . . . . . . . 104 GLN N . 51835 1 451 . 1 . 1 105 105 SER H H 1 8.095258263 0.01633918421 . . . . . . . 105 SER H . 51835 1 452 . 1 . 1 105 105 SER C C 13 175.0414862 0.008808887866 . . . . . . . 105 SER C . 51835 1 453 . 1 . 1 105 105 SER CA C 13 57.79642286 0.06780827858 . . . . . . . 105 SER CA . 51835 1 454 . 1 . 1 105 105 SER CB C 13 64.94484704 0.02762636423 . . . . . . . 105 SER CB . 51835 1 455 . 1 . 1 105 105 SER N N 15 112.0296597 0.07207506212 . . . . . . . 105 SER N . 51835 1 456 . 1 . 1 106 106 PHE H H 1 8.310630783 0.0117449498 . . . . . . . 106 PHE H . 51835 1 457 . 1 . 1 106 106 PHE C C 13 175.5132097 0.1067043717 . . . . . . . 106 PHE C . 51835 1 458 . 1 . 1 106 106 PHE CA C 13 55.58817674 0.04166949723 . . . . . . . 106 PHE CA . 51835 1 459 . 1 . 1 106 106 PHE CB C 13 40.51353223 0.03038413806 . . . . . . . 106 PHE CB . 51835 1 460 . 1 . 1 106 106 PHE N N 15 122.143852 0.0800158475 . . . . . . . 106 PHE N . 51835 1 461 . 1 . 1 107 107 VAL H H 1 8.612929274 0.01631326153 . . . . . . . 107 VAL H . 51835 1 462 . 1 . 1 107 107 VAL C C 13 174.9294584 . . . . . . . . 107 VAL C . 51835 1 463 . 1 . 1 107 107 VAL CA C 13 61.8978404 0.2396078943 . . . . . . . 107 VAL CA . 51835 1 464 . 1 . 1 107 107 VAL CB C 13 32.44756955 0.2961548002 . . . . . . . 107 VAL CB . 51835 1 465 . 1 . 1 107 107 VAL N N 15 123.7918908 0.08386806689 . . . . . . . 107 VAL N . 51835 1 466 . 1 . 1 108 108 LEU H H 1 9.619278797 0.01163183937 . . . . . . . 108 LEU H . 51835 1 467 . 1 . 1 108 108 LEU CA C 13 56.00616031 0.0822153565 . . . . . . . 108 LEU CA . 51835 1 468 . 1 . 1 108 108 LEU CB C 13 41.03496116 0.1231862889 . . . . . . . 108 LEU CB . 51835 1 469 . 1 . 1 108 108 LEU N N 15 121.1295252 0.0573357373 . . . . . . . 108 LEU N . 51835 1 470 . 1 . 1 112 112 VAL H H 1 8.000210338 0.02180404542 . . . . . . . 112 VAL H . 51835 1 471 . 1 . 1 112 112 VAL C C 13 176.8068762 . . . . . . . . 112 VAL C . 51835 1 472 . 1 . 1 112 112 VAL CA C 13 62.19239327 0.1193488538 . . . . . . . 112 VAL CA . 51835 1 473 . 1 . 1 112 112 VAL CB C 13 31.53037715 0.5645643423 . . . . . . . 112 VAL CB . 51835 1 474 . 1 . 1 112 112 VAL N N 15 118.9326563 0.1232192241 . . . . . . . 112 VAL N . 51835 1 475 . 1 . 1 113 113 GLU H H 1 8.195867518 0.01309002572 . . . . . . . 113 GLU H . 51835 1 476 . 1 . 1 113 113 GLU C C 13 175.3036005 . . . . . . . . 113 GLU C . 51835 1 477 . 1 . 1 113 113 GLU CA C 13 56.23579827 0.0377048774 . . . . . . . 113 GLU CA . 51835 1 478 . 1 . 1 113 113 GLU CB C 13 31.38368132 0.1234817001 . . . . . . . 113 GLU CB . 51835 1 479 . 1 . 1 113 113 GLU N N 15 117.099159 0.08699205337 . . . . . . . 113 GLU N . 51835 1 480 . 1 . 1 117 117 LYS C C 13 176.9583266 0 . . . . . . . 117 LYS C . 51835 1 481 . 1 . 1 117 117 LYS CA C 13 53.59563613 0 . . . . . . . 117 LYS CA . 51835 1 482 . 1 . 1 117 117 LYS CB C 13 32.10243852 0 . . . . . . . 117 LYS CB . 51835 1 483 . 1 . 1 118 118 ILE H H 1 8.711181891 0.01745348757 . . . . . . . 118 ILE H . 51835 1 484 . 1 . 1 118 118 ILE C C 13 173.5859335 . . . . . . . . 118 ILE C . 51835 1 485 . 1 . 1 118 118 ILE CA C 13 63.05211121 0.0379058975 . . . . . . . 118 ILE CA . 51835 1 486 . 1 . 1 118 118 ILE CB C 13 41.20633138 0.0363099555 . . . . . . . 118 ILE CB . 51835 1 487 . 1 . 1 118 118 ILE N N 15 127.2055515 0.1083933868 . . . . . . . 118 ILE N . 51835 1 488 . 1 . 1 119 119 SER H H 1 8.33125525 0 . . . . . . . 119 SER H . 51835 1 489 . 1 . 1 119 119 SER CA C 13 58.58495985 0 . . . . . . . 119 SER CA . 51835 1 490 . 1 . 1 119 119 SER CB C 13 65.04782825 0 . . . . . . . 119 SER CB . 51835 1 491 . 1 . 1 119 119 SER N N 15 121.7339362 0 . . . . . . . 119 SER N . 51835 1 492 . 1 . 1 121 121 ARG C C 13 174.7073177 0 . . . . . . . 121 ARG C . 51835 1 493 . 1 . 1 121 121 ARG CA C 13 60.42525032 0 . . . . . . . 121 ARG CA . 51835 1 494 . 1 . 1 121 121 ARG CB C 13 34.41245509 0 . . . . . . . 121 ARG CB . 51835 1 495 . 1 . 1 122 122 VAL H H 1 8.824988563 0.01454818702 . . . . . . . 122 VAL H . 51835 1 496 . 1 . 1 122 122 VAL C C 13 175.6080175 . . . . . . . . 122 VAL C . 51835 1 497 . 1 . 1 122 122 VAL CA C 13 62.50139729 0.0387018569 . . . . . . . 122 VAL CA . 51835 1 498 . 1 . 1 122 122 VAL CB C 13 29.80452705 0.043595036 . . . . . . . 122 VAL CB . 51835 1 499 . 1 . 1 122 122 VAL N N 15 129.9379898 0.1166626556 . . . . . . . 122 VAL N . 51835 1 500 . 1 . 1 125 125 GLU C C 13 174.3942614 0 . . . . . . . 125 GLU C . 51835 1 501 . 1 . 1 126 126 ILE H H 1 8.313040476 0.0120629722 . . . . . . . 126 ILE H . 51835 1 502 . 1 . 1 126 126 ILE C C 13 175.5694385 0.02463322675 . . . . . . . 126 ILE C . 51835 1 503 . 1 . 1 126 126 ILE CA C 13 62.57315951 0.02997064498 . . . . . . . 126 ILE CA . 51835 1 504 . 1 . 1 126 126 ILE CB C 13 39.03248737 0 . . . . . . . 126 ILE CB . 51835 1 505 . 1 . 1 126 126 ILE N N 15 120.2753541 0.08779946214 . . . . . . . 126 ILE N . 51835 1 506 . 1 . 1 127 127 VAL H H 1 8.457296216 0.008278393337 . . . . . . . 127 VAL H . 51835 1 507 . 1 . 1 127 127 VAL C C 13 174.4615953 . . . . . . . . 127 VAL C . 51835 1 508 . 1 . 1 127 127 VAL CA C 13 60.49810626 0.034950052 . . . . . . . 127 VAL CA . 51835 1 509 . 1 . 1 127 127 VAL CB C 13 33.92013593 0.045820861 . . . . . . . 127 VAL CB . 51835 1 510 . 1 . 1 127 127 VAL N N 15 126.1257939 0.1234973866 . . . . . . . 127 VAL N . 51835 1 511 . 1 . 1 128 128 SER H H 1 8.536959397 0.01046945783 . . . . . . . 128 SER H . 51835 1 512 . 1 . 1 128 128 SER C C 13 174.2808359 . . . . . . . . 128 SER C . 51835 1 513 . 1 . 1 128 128 SER CA C 13 58.07316162 0.05624501361 . . . . . . . 128 SER CA . 51835 1 514 . 1 . 1 128 128 SER CB C 13 65.25599776 0.0329335919 . . . . . . . 128 SER CB . 51835 1 515 . 1 . 1 128 128 SER N N 15 121.0484198 0.0925116603 . . . . . . . 128 SER N . 51835 1 516 . 1 . 1 129 129 GLY H H 1 8.465823558 0.01531726784 . . . . . . . 129 GLY H . 51835 1 517 . 1 . 1 129 129 GLY C C 13 171.7514556 . . . . . . . . 129 GLY C . 51835 1 518 . 1 . 1 129 129 GLY CA C 13 43.33725401 0.0368920104 . . . . . . . 129 GLY CA . 51835 1 519 . 1 . 1 129 129 GLY N N 15 106.6025079 0.08746461124 . . . . . . . 129 GLY N . 51835 1 520 . 1 . 1 134 134 GLN C C 13 174.9160167 0 . . . . . . . 134 GLN C . 51835 1 521 . 1 . 1 135 135 HIS H H 1 9.488735309 0.008452901009 . . . . . . . 135 HIS H . 51835 1 522 . 1 . 1 135 135 HIS C C 13 174.0811759 0.04213064888 . . . . . . . 135 HIS C . 51835 1 523 . 1 . 1 135 135 HIS CA C 13 54.83545648 0.06381400882 . . . . . . . 135 HIS CA . 51835 1 524 . 1 . 1 135 135 HIS CB C 13 34.27051277 0.03134213603 . . . . . . . 135 HIS CB . 51835 1 525 . 1 . 1 135 135 HIS N N 15 129.3099039 0.07919137841 . . . . . . . 135 HIS N . 51835 1 526 . 1 . 1 136 136 THR H H 1 8.744668844 0.01132070547 . . . . . . . 136 THR H . 51835 1 527 . 1 . 1 136 136 THR C C 13 172.8469013 0.004269611311 . . . . . . . 136 THR C . 51835 1 528 . 1 . 1 136 136 THR CA C 13 63.11938761 0.039449163 . . . . . . . 136 THR CA . 51835 1 529 . 1 . 1 136 136 THR CB C 13 70.12400677 0.316216107 . . . . . . . 136 THR CB . 51835 1 530 . 1 . 1 136 136 THR N N 15 119.4006078 0.07602894619 . . . . . . . 136 THR N . 51835 1 531 . 1 . 1 137 137 TYR H H 1 9.787159963 0.01885186426 . . . . . . . 137 TYR H . 51835 1 532 . 1 . 1 137 137 TYR C C 13 174.9221457 . . . . . . . . 137 TYR C . 51835 1 533 . 1 . 1 137 137 TYR CA C 13 56.49278057 0 . . . . . . . 137 TYR CA . 51835 1 534 . 1 . 1 137 137 TYR CB C 13 41.81587316 . . . . . . . . 137 TYR CB . 51835 1 535 . 1 . 1 137 137 TYR N N 15 126.7937034 0.08075596919 . . . . . . . 137 TYR N . 51835 1 536 . 1 . 1 139 139 LYS C C 13 176.2129791 0 . . . . . . . 139 LYS C . 51835 1 537 . 1 . 1 139 139 LYS CB C 13 29.55750893 . . . . . . . . 139 LYS CB . 51835 1 538 . 1 . 1 140 140 GLY H H 1 8.884725252 0.013244216 . . . . . . . 140 GLY H . 51835 1 539 . 1 . 1 140 140 GLY C C 13 173.7813014 . . . . . . . . 140 GLY C . 51835 1 540 . 1 . 1 140 140 GLY CA C 13 45.21022709 0.02785255912 . . . . . . . 140 GLY CA . 51835 1 541 . 1 . 1 140 140 GLY N N 15 103.8148959 0.07960266954 . . . . . . . 140 GLY N . 51835 1 542 . 1 . 1 141 141 VAL H H 1 7.778977829 0.01545603418 . . . . . . . 141 VAL H . 51835 1 543 . 1 . 1 141 141 VAL C C 13 174.7412733 0.1112536592 . . . . . . . 141 VAL C . 51835 1 544 . 1 . 1 141 141 VAL CA C 13 61.07720401 0.09563575778 . . . . . . . 141 VAL CA . 51835 1 545 . 1 . 1 141 141 VAL CB C 13 33.79834719 0.04042275149 . . . . . . . 141 VAL CB . 51835 1 546 . 1 . 1 141 141 VAL N N 15 121.2988736 0.1357480317 . . . . . . . 141 VAL N . 51835 1 547 . 1 . 1 142 142 LYS H H 1 8.660945013 0.01929178106 . . . . . . . 142 LYS H . 51835 1 548 . 1 . 1 142 142 LYS C C 13 176.3131014 0.005981863139 . . . . . . . 142 LYS C . 51835 1 549 . 1 . 1 142 142 LYS CA C 13 57.22947476 0.07725472619 . . . . . . . 142 LYS CA . 51835 1 550 . 1 . 1 142 142 LYS CB C 13 30.80056602 0.002187418365 . . . . . . . 142 LYS CB . 51835 1 551 . 1 . 1 142 142 LYS N N 15 127.6248554 0.1102428477 . . . . . . . 142 LYS N . 51835 1 552 . 1 . 1 143 143 ILE H H 1 8.914777343 0.04094989132 . . . . . . . 143 ILE H . 51835 1 553 . 1 . 1 143 143 ILE C C 13 175.6027346 . . . . . . . . 143 ILE C . 51835 1 554 . 1 . 1 143 143 ILE CA C 13 61.23380815 0.1403331098 . . . . . . . 143 ILE CA . 51835 1 555 . 1 . 1 143 143 ILE CB C 13 38.65901256 0.005770380913 . . . . . . . 143 ILE CB . 51835 1 556 . 1 . 1 143 143 ILE N N 15 123.7092024 0.1728494081 . . . . . . . 143 ILE N . 51835 1 557 . 1 . 1 146 146 THR H H 1 9.013989761 0.0094239907 . . . . . . . 146 THR H . 51835 1 558 . 1 . 1 146 146 THR C C 13 171.7141773 . . . . . . . . 146 THR C . 51835 1 559 . 1 . 1 146 146 THR CA C 13 58.70972111 0.1150825281 . . . . . . . 146 THR CA . 51835 1 560 . 1 . 1 146 146 THR CB C 13 70.90635854 0.1233931903 . . . . . . . 146 THR CB . 51835 1 561 . 1 . 1 146 146 THR N N 15 123.1317868 0.0721264882 . . . . . . . 146 THR N . 51835 1 562 . 1 . 1 147 147 ASP H H 1 8.705707702 0.01563199539 . . . . . . . 147 ASP H . 51835 1 563 . 1 . 1 147 147 ASP C C 13 178.5166723 0.01126005749 . . . . . . . 147 ASP C . 51835 1 564 . 1 . 1 147 147 ASP CA C 13 53.61396706 0.07186135277 . . . . . . . 147 ASP CA . 51835 1 565 . 1 . 1 147 147 ASP CB C 13 42.50712347 0.009843294942 . . . . . . . 147 ASP CB . 51835 1 566 . 1 . 1 147 147 ASP N N 15 120.8522297 0.07207605774 . . . . . . . 147 ASP N . 51835 1 567 . 1 . 1 148 148 TYR H H 1 7.950133536 0.01312794828 . . . . . . . 148 TYR H . 51835 1 568 . 1 . 1 148 148 TYR C C 13 176.7782297 0.06152554707 . . . . . . . 148 TYR C . 51835 1 569 . 1 . 1 148 148 TYR CA C 13 57.21076547 0.3118981924 . . . . . . . 148 TYR CA . 51835 1 570 . 1 . 1 148 148 TYR CB C 13 40.88056348 0.2782280077 . . . . . . . 148 TYR CB . 51835 1 571 . 1 . 1 148 148 TYR N N 15 118.6584636 0.05692860354 . . . . . . . 148 TYR N . 51835 1 572 . 1 . 1 149 149 MET H H 1 8.805128933 0.01887619512 . . . . . . . 149 MET H . 51835 1 573 . 1 . 1 149 149 MET C C 13 175.1403723 0.06429909736 . . . . . . . 149 MET C . 51835 1 574 . 1 . 1 149 149 MET CA C 13 55.63664493 0.03084905375 . . . . . . . 149 MET CA . 51835 1 575 . 1 . 1 149 149 MET CB C 13 30.89039727 0.326886801 . . . . . . . 149 MET CB . 51835 1 576 . 1 . 1 149 149 MET N N 15 122.9977916 0.07696042445 . . . . . . . 149 MET N . 51835 1 577 . 1 . 1 150 150 VAL H H 1 8.443438792 0.02070753721 . . . . . . . 150 VAL H . 51835 1 578 . 1 . 1 150 150 VAL C C 13 176.7694919 0.01407855074 . . . . . . . 150 VAL C . 51835 1 579 . 1 . 1 150 150 VAL CA C 13 63.49103877 0.0383371446 . . . . . . . 150 VAL CA . 51835 1 580 . 1 . 1 150 150 VAL CB C 13 30.85548274 0.030756271 . . . . . . . 150 VAL CB . 51835 1 581 . 1 . 1 150 150 VAL N N 15 128.3151397 0.1026394392 . . . . . . . 150 VAL N . 51835 1 582 . 1 . 1 151 151 GLY H H 1 7.599616869 0.01579144528 . . . . . . . 151 GLY H . 51835 1 583 . 1 . 1 151 151 GLY C C 13 172.3638643 0.0379505655 . . . . . . . 151 GLY C . 51835 1 584 . 1 . 1 151 151 GLY CA C 13 44.45911103 0.03783489647 . . . . . . . 151 GLY CA . 51835 1 585 . 1 . 1 151 151 GLY N N 15 106.687945 0.05584919397 . . . . . . . 151 GLY N . 51835 1 586 . 1 . 1 152 152 SER H H 1 7.948073396 0.01637253343 . . . . . . . 152 SER H . 51835 1 587 . 1 . 1 152 152 SER C C 13 173.2586931 . . . . . . . . 152 SER C . 51835 1 588 . 1 . 1 152 152 SER CA C 13 57.23347724 0.0943173734 . . . . . . . 152 SER CA . 51835 1 589 . 1 . 1 152 152 SER CB C 13 63.76669067 0.1630018196 . . . . . . . 152 SER CB . 51835 1 590 . 1 . 1 152 152 SER N N 15 115.8695364 0.07085503355 . . . . . . . 152 SER N . 51835 1 591 . 1 . 1 155 155 PRO C C 13 174.7669423 0 . . . . . . . 155 PRO C . 51835 1 592 . 1 . 1 155 155 PRO CA C 13 61.68924806 . . . . . . . . 155 PRO CA . 51835 1 593 . 1 . 1 155 155 PRO CB C 13 32.55955561 . . . . . . . . 155 PRO CB . 51835 1 594 . 1 . 1 156 156 ARG H H 1 8.842722611 0.01682034817 . . . . . . . 156 ARG H . 51835 1 595 . 1 . 1 156 156 ARG C C 13 176.2297574 . . . . . . . . 156 ARG C . 51835 1 596 . 1 . 1 156 156 ARG CA C 13 53.97409853 0.0427303811 . . . . . . . 156 ARG CA . 51835 1 597 . 1 . 1 156 156 ARG CB C 13 32.80327045 0.0335677963 . . . . . . . 156 ARG CB . 51835 1 598 . 1 . 1 156 156 ARG N N 15 121.8883435 0.08231453746 . . . . . . . 156 ARG N . 51835 1 599 . 1 . 1 157 157 ALA H H 1 8.518027614 0 . . . . . . . 157 ALA H . 51835 1 600 . 1 . 1 157 157 ALA C C 13 178.1062093 0 . . . . . . . 157 ALA C . 51835 1 601 . 1 . 1 157 157 ALA CA C 13 54.90076672 . . . . . . . . 157 ALA CA . 51835 1 602 . 1 . 1 157 157 ALA CB C 13 18.43842389 . . . . . . . . 157 ALA CB . 51835 1 603 . 1 . 1 157 157 ALA N N 15 124.469636 0 . . . . . . . 157 ALA N . 51835 1 604 . 1 . 1 158 158 GLU H H 1 7.916572194 0.01464465343 . . . . . . . 158 GLU H . 51835 1 605 . 1 . 1 158 158 GLU C C 13 177.4784007 0.01660349483 . . . . . . . 158 GLU C . 51835 1 606 . 1 . 1 158 158 GLU CA C 13 56.65514355 . . . . . . . . 158 GLU CA . 51835 1 607 . 1 . 1 158 158 GLU CB C 13 29.06040388 0.06907913844 . . . . . . . 158 GLU CB . 51835 1 608 . 1 . 1 158 158 GLU N N 15 116.4746169 0.04967579991 . . . . . . . 158 GLU N . 51835 1 609 . 1 . 1 159 159 GLU H H 1 8.593084514 0.01617850858 . . . . . . . 159 GLU H . 51835 1 610 . 1 . 1 159 159 GLU C C 13 176.766082 . . . . . . . . 159 GLU C . 51835 1 611 . 1 . 1 159 159 GLU CA C 13 57.27143303 . . . . . . . . 159 GLU CA . 51835 1 612 . 1 . 1 159 159 GLU CB C 13 29.97856306 0.05887258076 . . . . . . . 159 GLU CB . 51835 1 613 . 1 . 1 159 159 GLU N N 15 122.9570103 0.08547476507 . . . . . . . 159 GLU N . 51835 1 614 . 1 . 1 160 160 TYR H H 1 8.901281529 0.01156872681 . . . . . . . 160 TYR H . 51835 1 615 . 1 . 1 160 160 TYR C C 13 174.8326131 0.07578592124 . . . . . . . 160 TYR C . 51835 1 616 . 1 . 1 160 160 TYR CA C 13 57.01333867 0.342626241 . . . . . . . 160 TYR CA . 51835 1 617 . 1 . 1 160 160 TYR CB C 13 41.28271628 0.7396939107 . . . . . . . 160 TYR CB . 51835 1 618 . 1 . 1 160 160 TYR N N 15 122.0948358 0.04127160691 . . . . . . . 160 TYR N . 51835 1 619 . 1 . 1 161 161 GLU H H 1 8.929860499 0.01439753163 . . . . . . . 161 GLU H . 51835 1 620 . 1 . 1 161 161 GLU C C 13 175.5041549 0.2836131482 . . . . . . . 161 GLU C . 51835 1 621 . 1 . 1 161 161 GLU CA C 13 55.39913899 0.073032326 . . . . . . . 161 GLU CA . 51835 1 622 . 1 . 1 161 161 GLU CB C 13 32.91324867 0.09142500495 . . . . . . . 161 GLU CB . 51835 1 623 . 1 . 1 161 161 GLU N N 15 119.742696 0.07088822392 . . . . . . . 161 GLU N . 51835 1 624 . 1 . 1 162 162 PHE H H 1 9.150378845 0.01645443695 . . . . . . . 162 PHE H . 51835 1 625 . 1 . 1 162 162 PHE C C 13 172.2463089 0.0018039828 . . . . . . . 162 PHE C . 51835 1 626 . 1 . 1 162 162 PHE CA C 13 56.0300649 0.7884503117 . . . . . . . 162 PHE CA . 51835 1 627 . 1 . 1 162 162 PHE CB C 13 42.19786469 0.05439415064 . . . . . . . 162 PHE CB . 51835 1 628 . 1 . 1 162 162 PHE N N 15 124.0645021 0.05998804121 . . . . . . . 162 PHE N . 51835 1 629 . 1 . 1 163 163 LEU H H 1 7.677010843 0.01957368662 . . . . . . . 163 LEU H . 51835 1 630 . 1 . 1 163 163 LEU C C 13 175.968869 0.02896808987 . . . . . . . 163 LEU C . 51835 1 631 . 1 . 1 163 163 LEU CA C 13 53.30351919 0.0652488979 . . . . . . . 163 LEU CA . 51835 1 632 . 1 . 1 163 163 LEU CB C 13 43.90769905 0.05167672734 . . . . . . . 163 LEU CB . 51835 1 633 . 1 . 1 163 163 LEU N N 15 127.7502198 0.1067531894 . . . . . . . 163 LEU N . 51835 1 634 . 1 . 1 164 164 THR H H 1 8.499308675 0.01511784565 . . . . . . . 164 THR H . 51835 1 635 . 1 . 1 164 164 THR C C 13 172.1087691 . . . . . . . . 164 THR C . 51835 1 636 . 1 . 1 164 164 THR CA C 13 60.68928067 0.0414350752 . . . . . . . 164 THR CA . 51835 1 637 . 1 . 1 164 164 THR CB C 13 67.71931356 0.0386524586 . . . . . . . 164 THR CB . 51835 1 638 . 1 . 1 164 164 THR N N 15 113.2764125 0.0179156088 . . . . . . . 164 THR N . 51835 1 639 . 1 . 1 167 167 GLU C C 13 175.5570367 0 . . . . . . . 167 GLU C . 51835 1 640 . 1 . 1 167 167 GLU CA C 13 56.79177278 . . . . . . . . 167 GLU CA . 51835 1 641 . 1 . 1 168 168 GLU H H 1 8.755012862 0.02146128161 . . . . . . . 168 GLU H . 51835 1 642 . 1 . 1 168 168 GLU C C 13 173.800896 0.05909276518 . . . . . . . 168 GLU C . 51835 1 643 . 1 . 1 168 168 GLU CA C 13 54.29978701 0.0418798826 . . . . . . . 168 GLU CA . 51835 1 644 . 1 . 1 168 168 GLU CB C 13 32.90216268 0.2425167735 . . . . . . . 168 GLU CB . 51835 1 645 . 1 . 1 168 168 GLU N N 15 126.3795227 0.07926572633 . . . . . . . 168 GLU N . 51835 1 646 . 1 . 1 169 169 ALA H H 1 8.505097658 0.009250583097 . . . . . . . 169 ALA H . 51835 1 647 . 1 . 1 169 169 ALA CA C 13 54.32169479 . . . . . . . . 169 ALA CA . 51835 1 648 . 1 . 1 169 169 ALA CB C 13 18.25571987 . . . . . . . . 169 ALA CB . 51835 1 649 . 1 . 1 169 169 ALA N N 15 124.5536797 0.1367177504 . . . . . . . 169 ALA N . 51835 1 650 . 1 . 1 170 170 PRO C C 13 173.6190692 0 . . . . . . . 170 PRO C . 51835 1 651 . 1 . 1 170 170 PRO CA C 13 63.12885423 . . . . . . . . 170 PRO CA . 51835 1 652 . 1 . 1 170 170 PRO CB C 13 32.63393008 . . . . . . . . 170 PRO CB . 51835 1 653 . 1 . 1 171 171 LYS H H 1 8.016366718 0.01773832107 . . . . . . . 171 LYS H . 51835 1 654 . 1 . 1 171 171 LYS C C 13 175.3952886 0.01792324702 . . . . . . . 171 LYS C . 51835 1 655 . 1 . 1 171 171 LYS CA C 13 55.25494319 0.06091779774 . . . . . . . 171 LYS CA . 51835 1 656 . 1 . 1 171 171 LYS CB C 13 36.20455012 0.04801895692 . . . . . . . 171 LYS CB . 51835 1 657 . 1 . 1 171 171 LYS N N 15 114.1579309 0.0769038729 . . . . . . . 171 LYS N . 51835 1 658 . 1 . 1 172 172 GLY H H 1 8.329509138 0.01358623109 . . . . . . . 172 GLY H . 51835 1 659 . 1 . 1 172 172 GLY C C 13 174.5366957 . . . . . . . . 172 GLY C . 51835 1 660 . 1 . 1 172 172 GLY CA C 13 43.6903948 0.0611153639 . . . . . . . 172 GLY CA . 51835 1 661 . 1 . 1 172 172 GLY N N 15 110.4196067 0.1258256054 . . . . . . . 172 GLY N . 51835 1 662 . 1 . 1 173 173 MET CA C 13 58.94126351 0 . . . . . . . 173 MET CA . 51835 1 663 . 1 . 1 173 173 MET CB C 13 35.81312564 0 . . . . . . . 173 MET CB . 51835 1 664 . 1 . 1 174 174 LEU H H 1 8.247373982 0.04651637477 . . . . . . . 174 LEU H . 51835 1 665 . 1 . 1 174 174 LEU C C 13 177.5248089 0.01490744207 . . . . . . . 174 LEU C . 51835 1 666 . 1 . 1 174 174 LEU CA C 13 56.6299311 0.1315846002 . . . . . . . 174 LEU CA . 51835 1 667 . 1 . 1 174 174 LEU CB C 13 41.13225646 0.1817146915 . . . . . . . 174 LEU CB . 51835 1 668 . 1 . 1 174 174 LEU N N 15 120.880576 0.1247040868 . . . . . . . 174 LEU N . 51835 1 669 . 1 . 1 175 175 ALA H H 1 7.373271467 0.01711077808 . . . . . . . 175 ALA H . 51835 1 670 . 1 . 1 175 175 ALA C C 13 178.6545754 0.003199106998 . . . . . . . 175 ALA C . 51835 1 671 . 1 . 1 175 175 ALA CA C 13 51.99208141 0.0449706555 . . . . . . . 175 ALA CA . 51835 1 672 . 1 . 1 175 175 ALA CB C 13 20.1891937 0.0369019889 . . . . . . . 175 ALA CB . 51835 1 673 . 1 . 1 175 175 ALA N N 15 119.524631 0.08385902901 . . . . . . . 175 ALA N . 51835 1 674 . 1 . 1 176 176 ARG H H 1 7.004170698 0.01650523543 . . . . . . . 176 ARG H . 51835 1 675 . 1 . 1 176 176 ARG C C 13 175.6998403 0.008853928173 . . . . . . . 176 ARG C . 51835 1 676 . 1 . 1 176 176 ARG CA C 13 57.65710994 0.05892625047 . . . . . . . 176 ARG CA . 51835 1 677 . 1 . 1 176 176 ARG CB C 13 30.72650844 0.105322921 . . . . . . . 176 ARG CB . 51835 1 678 . 1 . 1 176 176 ARG N N 15 117.480941 0.06409883845 . . . . . . . 176 ARG N . 51835 1 679 . 1 . 1 177 177 GLY H H 1 8.821431269 0.01561286074 . . . . . . . 177 GLY H . 51835 1 680 . 1 . 1 177 177 GLY C C 13 173.3552727 0.02526734658 . . . . . . . 177 GLY C . 51835 1 681 . 1 . 1 177 177 GLY CA C 13 43.95279064 0.07865361769 . . . . . . . 177 GLY CA . 51835 1 682 . 1 . 1 177 177 GLY N N 15 109.1406852 0.07193260477 . . . . . . . 177 GLY N . 51835 1 683 . 1 . 1 178 178 SER H H 1 8.345588078 0.01398476487 . . . . . . . 178 SER H . 51835 1 684 . 1 . 1 178 178 SER C C 13 174.3793386 . . . . . . . . 178 SER C . 51835 1 685 . 1 . 1 178 178 SER CA C 13 59.62170894 0.09428817109 . . . . . . . 178 SER CA . 51835 1 686 . 1 . 1 178 178 SER CB C 13 64.3676362 0.0004924922279 . . . . . . . 178 SER CB . 51835 1 687 . 1 . 1 178 178 SER N N 15 115.1578651 0.07445298589 . . . . . . . 178 SER N . 51835 1 688 . 1 . 1 179 179 TYR H H 1 9.547432129 0.01578665285 . . . . . . . 179 TYR H . 51835 1 689 . 1 . 1 179 179 TYR C C 13 173.7067636 0.03970363431 . . . . . . . 179 TYR C . 51835 1 690 . 1 . 1 179 179 TYR CA C 13 57.77972986 0.046277269 . . . . . . . 179 TYR CA . 51835 1 691 . 1 . 1 179 179 TYR CB C 13 40.12217887 0.03332136437 . . . . . . . 179 TYR CB . 51835 1 692 . 1 . 1 179 179 TYR N N 15 125.9753345 0.08313482753 . . . . . . . 179 TYR N . 51835 1 693 . 1 . 1 180 180 ASN H H 1 8.935834057 0.01355365227 . . . . . . . 180 ASN H . 51835 1 694 . 1 . 1 180 180 ASN C C 13 172.1812781 0.01165433171 . . . . . . . 180 ASN C . 51835 1 695 . 1 . 1 180 180 ASN CA C 13 52.96565029 0.01720905675 . . . . . . . 180 ASN CA . 51835 1 696 . 1 . 1 180 180 ASN CB C 13 42.37340774 0.04961242466 . . . . . . . 180 ASN CB . 51835 1 697 . 1 . 1 180 180 ASN N N 15 121.8659942 0.08366194949 . . . . . . . 180 ASN N . 51835 1 698 . 1 . 1 181 181 ILE H H 1 9.200338775 0.01699378179 . . . . . . . 181 ILE H . 51835 1 699 . 1 . 1 181 181 ILE C C 13 175.2666407 . . . . . . . . 181 ILE C . 51835 1 700 . 1 . 1 181 181 ILE CA C 13 59.78076889 0.0907914309 . . . . . . . 181 ILE CA . 51835 1 701 . 1 . 1 181 181 ILE CB C 13 36.60346158 0.0069075177 . . . . . . . 181 ILE CB . 51835 1 702 . 1 . 1 181 181 ILE N N 15 127.2316 0.0656120004 . . . . . . . 181 ILE N . 51835 1 703 . 1 . 1 182 182 LYS C C 13 175.437767 0 . . . . . . . 182 LYS C . 51835 1 704 . 1 . 1 183 183 SER H H 1 8.813211362 0.01245268353 . . . . . . . 183 SER H . 51835 1 705 . 1 . 1 183 183 SER C C 13 172.8377811 . . . . . . . . 183 SER C . 51835 1 706 . 1 . 1 183 183 SER CA C 13 59.34363734 0.0352553076 . . . . . . . 183 SER CA . 51835 1 707 . 1 . 1 183 183 SER CB C 13 65.9021389 0.0 . . . . . . . 183 SER CB . 51835 1 708 . 1 . 1 183 183 SER N N 15 122.9475923 0.09256877819 . . . . . . . 183 SER N . 51835 1 709 . 1 . 1 184 184 ARG C C 13 173.4252685 0 . . . . . . . 184 ARG C . 51835 1 710 . 1 . 1 184 184 ARG CB C 13 25.76102376 . . . . . . . . 184 ARG CB . 51835 1 711 . 1 . 1 185 185 PHE H H 1 7.995871767 0.01511453304 . . . . . . . 185 PHE H . 51835 1 712 . 1 . 1 185 185 PHE C C 13 174.5308269 0.03875967834 . . . . . . . 185 PHE C . 51835 1 713 . 1 . 1 185 185 PHE CA C 13 56.22509688 0.07169216879 . . . . . . . 185 PHE CA . 51835 1 714 . 1 . 1 185 185 PHE CB C 13 34.18861122 0.04421956352 . . . . . . . 185 PHE CB . 51835 1 715 . 1 . 1 185 185 PHE N N 15 122.5311985 0.1032984467 . . . . . . . 185 PHE N . 51835 1 716 . 1 . 1 186 186 THR H H 1 8.502815235 0.01589501976 . . . . . . . 186 THR H . 51835 1 717 . 1 . 1 186 186 THR C C 13 170.899711 0.008767822756 . . . . . . . 186 THR C . 51835 1 718 . 1 . 1 186 186 THR CA C 13 61.7231815 0.07740177154 . . . . . . . 186 THR CA . 51835 1 719 . 1 . 1 186 186 THR CB C 13 71.55950453 0.01168732785 . . . . . . . 186 THR CB . 51835 1 720 . 1 . 1 186 186 THR N N 15 120.5262398 0.0752372747 . . . . . . . 186 THR N . 51835 1 721 . 1 . 1 187 187 ASP H H 1 7.873384257 0.0133249462 . . . . . . . 187 ASP H . 51835 1 722 . 1 . 1 187 187 ASP C C 13 174.4141288 0.01405487094 . . . . . . . 187 ASP C . 51835 1 723 . 1 . 1 187 187 ASP CA C 13 52.56199447 0.08706665784 . . . . . . . 187 ASP CA . 51835 1 724 . 1 . 1 187 187 ASP CB C 13 42.48647851 0.004997097624 . . . . . . . 187 ASP CB . 51835 1 725 . 1 . 1 187 187 ASP N N 15 123.1665482 0.05256058108 . . . . . . . 187 ASP N . 51835 1 726 . 1 . 1 188 188 ASP H H 1 9.218214066 0.01589533705 . . . . . . . 188 ASP H . 51835 1 727 . 1 . 1 188 188 ASP C C 13 175.3688237 . . . . . . . . 188 ASP C . 51835 1 728 . 1 . 1 188 188 ASP CA C 13 56.76263483 0.0335978972 . . . . . . . 188 ASP CA . 51835 1 729 . 1 . 1 188 188 ASP CB C 13 40.5741695 0.0461393788 . . . . . . . 188 ASP CB . 51835 1 730 . 1 . 1 188 188 ASP N N 15 120.0345401 0.04192289496 . . . . . . . 188 ASP N . 51835 1 731 . 1 . 1 189 189 ASP H H 1 8.82283761 0 . . . . . . . 189 ASP H . 51835 1 732 . 1 . 1 189 189 ASP C C 13 175.2908804 0 . . . . . . . 189 ASP C . 51835 1 733 . 1 . 1 189 189 ASP CB C 13 40.93561292 . . . . . . . . 189 ASP CB . 51835 1 734 . 1 . 1 189 189 ASP N N 15 123.2520763 0 . . . . . . . 189 ASP N . 51835 1 735 . 1 . 1 190 190 ARG H H 1 8.291270186 0.01966234375 . . . . . . . 190 ARG H . 51835 1 736 . 1 . 1 190 190 ARG C C 13 175.7445419 0.05414181811 . . . . . . . 190 ARG C . 51835 1 737 . 1 . 1 190 190 ARG CA C 13 57.08287525 0.09397474158 . . . . . . . 190 ARG CA . 51835 1 738 . 1 . 1 190 190 ARG CB C 13 25.80449518 0.007215642917 . . . . . . . 190 ARG CB . 51835 1 739 . 1 . 1 190 190 ARG N N 15 113.9372053 0.07046214352 . . . . . . . 190 ARG N . 51835 1 740 . 1 . 1 191 191 THR H H 1 7.832227865 0.01455081888 . . . . . . . 191 THR H . 51835 1 741 . 1 . 1 191 191 THR C C 13 174.9724431 0.03455466053 . . . . . . . 191 THR C . 51835 1 742 . 1 . 1 191 191 THR CA C 13 63.68254569 0.04003089539 . . . . . . . 191 THR CA . 51835 1 743 . 1 . 1 191 191 THR CB C 13 67.9933258 0.02868875662 . . . . . . . 191 THR CB . 51835 1 744 . 1 . 1 191 191 THR N N 15 118.008283 0.06397702084 . . . . . . . 191 THR N . 51835 1 745 . 1 . 1 192 192 ASP H H 1 9.008680825 0.01955937113 . . . . . . . 192 ASP H . 51835 1 746 . 1 . 1 192 192 ASP C C 13 175.3846852 . . . . . . . . 192 ASP C . 51835 1 747 . 1 . 1 192 192 ASP CA C 13 52.18314737 0.043122959 . . . . . . . 192 ASP CA . 51835 1 748 . 1 . 1 192 192 ASP CB C 13 38.88105391 0.039668959 . . . . . . . 192 ASP CB . 51835 1 749 . 1 . 1 192 192 ASP N N 15 129.0854517 0.06009780683 . . . . . . . 192 ASP N . 51835 1 750 . 1 . 1 193 193 HIS C C 13 175.4250474 0 . . . . . . . 193 HIS C . 51835 1 751 . 1 . 1 193 193 HIS CA C 13 53.40853956 . . . . . . . . 193 HIS CA . 51835 1 752 . 1 . 1 193 193 HIS CB C 13 33.94496807 . . . . . . . . 193 HIS CB . 51835 1 753 . 1 . 1 194 194 LEU H H 1 9.291526618 0.01172827752 . . . . . . . 194 LEU H . 51835 1 754 . 1 . 1 194 194 LEU C C 13 175.0313149 0.1178120694 . . . . . . . 194 LEU C . 51835 1 755 . 1 . 1 194 194 LEU CA C 13 54.62602174 . . . . . . . . 194 LEU CA . 51835 1 756 . 1 . 1 194 194 LEU CB C 13 43.70642474 0.09810394438 . . . . . . . 194 LEU CB . 51835 1 757 . 1 . 1 194 194 LEU N N 15 121.9750193 0.05547211523 . . . . . . . 194 LEU N . 51835 1 758 . 1 . 1 195 195 SER H H 1 8.321645382 0.008606755257 . . . . . . . 195 SER H . 51835 1 759 . 1 . 1 195 195 SER C C 13 172.9424931 0.02282629164 . . . . . . . 195 SER C . 51835 1 760 . 1 . 1 195 195 SER CA C 13 58.54468972 0.1132370894 . . . . . . . 195 SER CA . 51835 1 761 . 1 . 1 195 195 SER CB C 13 65.02767354 0.09536582298 . . . . . . . 195 SER CB . 51835 1 762 . 1 . 1 195 195 SER N N 15 121.6276224 0.1113453254 . . . . . . . 195 SER N . 51835 1 763 . 1 . 1 196 196 TRP H H 1 9.097645852 0.01827192058 . . . . . . . 196 TRP H . 51835 1 764 . 1 . 1 196 196 TRP C C 13 171.9909691 0.02867182548 . . . . . . . 196 TRP C . 51835 1 765 . 1 . 1 196 196 TRP CA C 13 57.56228208 0.1059577153 . . . . . . . 196 TRP CA . 51835 1 766 . 1 . 1 196 196 TRP CB C 13 32.22882172 0.004184903748 . . . . . . . 196 TRP CB . 51835 1 767 . 1 . 1 196 196 TRP N N 15 123.1665275 0.07360949433 . . . . . . . 196 TRP N . 51835 1 768 . 1 . 1 197 197 GLU H H 1 8.343165367 0.0115610602 . . . . . . . 197 GLU H . 51835 1 769 . 1 . 1 197 197 GLU C C 13 174.0908189 . . . . . . . . 197 GLU C . 51835 1 770 . 1 . 1 197 197 GLU CA C 13 54.81199678 0.0381309835 . . . . . . . 197 GLU CA . 51835 1 771 . 1 . 1 197 197 GLU CB C 13 33.5786737 0.0416600121 . . . . . . . 197 GLU CB . 51835 1 772 . 1 . 1 197 197 GLU N N 15 119.6353695 0.07956746002 . . . . . . . 197 GLU N . 51835 1 773 . 1 . 1 200 200 LEU H H 1 8.739022515 0.01994856614 . . . . . . . 200 LEU H . 51835 1 774 . 1 . 1 200 200 LEU C C 13 175.4995057 0.02119380539 . . . . . . . 200 LEU C . 51835 1 775 . 1 . 1 200 200 LEU CA C 13 53.68583453 0.06500855089 . . . . . . . 200 LEU CA . 51835 1 776 . 1 . 1 200 200 LEU CB C 13 46.66491103 0 . . . . . . . 200 LEU CB . 51835 1 777 . 1 . 1 200 200 LEU N N 15 120.8575914 0.06463967063 . . . . . . . 200 LEU N . 51835 1 778 . 1 . 1 201 201 THR H H 1 9.307838151 0.01842091844 . . . . . . . 201 THR H . 51835 1 779 . 1 . 1 201 201 THR C C 13 172.7541104 0.003542322828 . . . . . . . 201 THR C . 51835 1 780 . 1 . 1 201 201 THR CA C 13 61.71439056 0.09751282632 . . . . . . . 201 THR CA . 51835 1 781 . 1 . 1 201 201 THR CB C 13 70.61432635 0.02626859594 . . . . . . . 201 THR CB . 51835 1 782 . 1 . 1 201 201 THR N N 15 120.9908797 0.04413832172 . . . . . . . 201 THR N . 51835 1 783 . 1 . 1 202 202 ILE H H 1 9.086661955 0.01593340701 . . . . . . . 202 ILE H . 51835 1 784 . 1 . 1 202 202 ILE C C 13 176.7561513 . . . . . . . . 202 ILE C . 51835 1 785 . 1 . 1 202 202 ILE CA C 13 58.97825715 0.0369936326 . . . . . . . 202 ILE CA . 51835 1 786 . 1 . 1 202 202 ILE CB C 13 35.84369453 0.0305688856 . . . . . . . 202 ILE CB . 51835 1 787 . 1 . 1 202 202 ILE N N 15 127.3350479 0.06764090241 . . . . . . . 202 ILE N . 51835 1 788 . 1 . 1 203 203 LYS H H 1 8.999823582 0.0086387905 . . . . . . . 203 LYS H . 51835 1 789 . 1 . 1 203 203 LYS C C 13 174.582339 0.137654307 . . . . . . . 203 LYS C . 51835 1 790 . 1 . 1 203 203 LYS CA C 13 54.72280262 0.04446982483 . . . . . . . 203 LYS CA . 51835 1 791 . 1 . 1 203 203 LYS CB C 13 33.34745477 0.3617219931 . . . . . . . 203 LYS CB . 51835 1 792 . 1 . 1 203 203 LYS N N 15 120.6886997 0.0807347377 . . . . . . . 203 LYS N . 51835 1 793 . 1 . 1 204 204 LYS H H 1 8.637320564 0.01503201564 . . . . . . . 204 LYS H . 51835 1 794 . 1 . 1 204 204 LYS C C 13 174.9579475 0.007027435727 . . . . . . . 204 LYS C . 51835 1 795 . 1 . 1 204 204 LYS CA C 13 59.50774977 0.02398539442 . . . . . . . 204 LYS CA . 51835 1 796 . 1 . 1 204 204 LYS CB C 13 32.58636238 0.1877578706 . . . . . . . 204 LYS CB . 51835 1 797 . 1 . 1 204 204 LYS N N 15 119.8319787 0.07443338347 . . . . . . . 204 LYS N . 51835 1 798 . 1 . 1 205 205 GLU H H 1 7.175998735 0.01652209398 . . . . . . . 205 GLU H . 51835 1 799 . 1 . 1 205 205 GLU C C 13 175.1716209 0 . . . . . . . 205 GLU C . 51835 1 800 . 1 . 1 205 205 GLU CA C 13 53.33016938 0.03759341527 . . . . . . . 205 GLU CA . 51835 1 801 . 1 . 1 205 205 GLU CB C 13 32.92510235 0.0168285964 . . . . . . . 205 GLU CB . 51835 1 802 . 1 . 1 205 205 GLU N N 15 111.4665922 0.08131650258 . . . . . . . 205 GLU N . 51835 1 803 . 1 . 1 206 206 TRP H H 1 8.161022909 0.01726787086 . . . . . . . 206 TRP H . 51835 1 804 . 1 . 1 206 206 TRP C C 13 176.5849329 0.01698817598 . . . . . . . 206 TRP C . 51835 1 805 . 1 . 1 206 206 TRP CA C 13 59.74687846 0.0281264547 . . . . . . . 206 TRP CA . 51835 1 806 . 1 . 1 206 206 TRP CB C 13 30.02060751 0.02471653436 . . . . . . . 206 TRP CB . 51835 1 807 . 1 . 1 206 206 TRP N N 15 117.0391622 0.07241812705 . . . . . . . 206 TRP N . 51835 1 808 . 1 . 1 207 207 LYS H H 1 7.623261425 0.0172834597 . . . . . . . 207 LYS H . 51835 1 809 . 1 . 1 207 207 LYS C C 13 174.7934937 0.007694902047 . . . . . . . 207 LYS C . 51835 1 810 . 1 . 1 207 207 LYS CA C 13 55.31131051 0.05049890896 . . . . . . . 207 LYS CA . 51835 1 811 . 1 . 1 207 207 LYS CB C 13 33.77173025 0.01025833832 . . . . . . . 207 LYS CB . 51835 1 812 . 1 . 1 207 207 LYS N N 15 114.6357665 0.05394329363 . . . . . . . 207 LYS N . 51835 1 813 . 1 . 1 208 208 ASP H H 1 7.816562541 0.01945404726 . . . . . . . 208 ASP H . 51835 1 814 . 1 . 1 208 208 ASP C C 13 180.7587535 . . . . . . . . 208 ASP C . 51835 1 815 . 1 . 1 208 208 ASP CA C 13 56.23492654 0.0380467159 . . . . . . . 208 ASP CA . 51835 1 816 . 1 . 1 208 208 ASP CB C 13 42.05495745 0.0379703462 . . . . . . . 208 ASP CB . 51835 1 817 . 1 . 1 208 208 ASP N N 15 126.3352678 0.0821631244 . . . . . . . 208 ASP N . 51835 1 stop_ save_