data_50794 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50794 _Entry.Title ; NMR assignment of the Feline Immunodeficiency Virus p24 capsid ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-03-01 _Entry.Accession_date 2021-03-01 _Entry.Last_release_date 2021-03-01 _Entry.Original_release_date 2021-03-01 _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 Mathieu Long . . . . 50794 2 Francois-Xavier Cantrelle . . . . 50794 3 Xavier Robert . . . . 50794 4 Emmanuelle Boll . . . . 50794 5 Natalia Sierra . . . . 50794 6 Patrice Gouet . . . . 50794 7 Xavier Hanoulle . . . . 50794 8 Guzman Alvarez . . . . 50794 9 Christophe Guillon . . . . 50794 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50794 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 522 50794 '15N chemical shifts' 167 50794 '1H chemical shifts' 167 50794 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 . . 2021-06-23 2021-03-01 update BMRB 'update entry citation' 50794 1 . . 2021-06-13 2021-03-01 original author 'original release' 50794 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50794 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34096272 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Identification of a Potential Inhibitor of the FIV p24 Capsid Protein and Characterization of Its Binding Site ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 60 _Citation.Journal_issue 24 _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 1896 _Citation.Page_last 1908 _Citation.Year 2021 _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 Mathieu Long . . . . 50794 1 2 Francois-Xavier Cantrelle . . . . 50794 1 3 Xavier Robert . . . . 50794 1 4 Emmanuelle Boll . . . . 50794 1 5 Natalia Sierra . . . . 50794 1 6 Patrice Gouet . . . . 50794 1 7 Xavier Hanoulle . . . . 50794 1 8 Guzman Alvarez . . . . 50794 1 9 Christophe Guillon . . . . 50794 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50794 _Assembly.ID 1 _Assembly.Name 'FIV p24' _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 . _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 'FIV p24' 1 $entity_1 . . yes native no no . . . 50794 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50794 _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 ; TIQTVNGVPQYVALDPKMVS IFMEKAREGLGGEEVQLWFT AFSANLTPTDMATLIMAAPG CAADKEILDESLKQLTAEYD RTHPPDAPRPLPYFTAAEIM GIGLTQEQQAEARFAPARMQ CRAWYLEALGKLAAIKAKSP RAVQLRQGAKEDYSSFIDRL FAQIDQEQNTAEVKLYLKQS LSIANANADCKKAMSHLKPE STLEEKLRACQEI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 213 _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 . THR . 50794 1 2 . ILE . 50794 1 3 . GLN . 50794 1 4 . THR . 50794 1 5 . VAL . 50794 1 6 . ASN . 50794 1 7 . GLY . 50794 1 8 . VAL . 50794 1 9 . PRO . 50794 1 10 . GLN . 50794 1 11 . TYR . 50794 1 12 . VAL . 50794 1 13 . ALA . 50794 1 14 . LEU . 50794 1 15 . ASP . 50794 1 16 . PRO . 50794 1 17 . LYS . 50794 1 18 . MET . 50794 1 19 . VAL . 50794 1 20 . SER . 50794 1 21 . ILE . 50794 1 22 . PHE . 50794 1 23 . MET . 50794 1 24 . GLU . 50794 1 25 . LYS . 50794 1 26 . ALA . 50794 1 27 . ARG . 50794 1 28 . GLU . 50794 1 29 . GLY . 50794 1 30 . LEU . 50794 1 31 . GLY . 50794 1 32 . GLY . 50794 1 33 . GLU . 50794 1 34 . GLU . 50794 1 35 . VAL . 50794 1 36 . GLN . 50794 1 37 . LEU . 50794 1 38 . TRP . 50794 1 39 . PHE . 50794 1 40 . THR . 50794 1 41 . ALA . 50794 1 42 . PHE . 50794 1 43 . SER . 50794 1 44 . ALA . 50794 1 45 . ASN . 50794 1 46 . LEU . 50794 1 47 . THR . 50794 1 48 . PRO . 50794 1 49 . THR . 50794 1 50 . ASP . 50794 1 51 . MET . 50794 1 52 . ALA . 50794 1 53 . THR . 50794 1 54 . LEU . 50794 1 55 . ILE . 50794 1 56 . MET . 50794 1 57 . ALA . 50794 1 58 . ALA . 50794 1 59 . PRO . 50794 1 60 . GLY . 50794 1 61 . CYS . 50794 1 62 . ALA . 50794 1 63 . ALA . 50794 1 64 . ASP . 50794 1 65 . LYS . 50794 1 66 . GLU . 50794 1 67 . ILE . 50794 1 68 . LEU . 50794 1 69 . ASP . 50794 1 70 . GLU . 50794 1 71 . SER . 50794 1 72 . LEU . 50794 1 73 . LYS . 50794 1 74 . GLN . 50794 1 75 . LEU . 50794 1 76 . THR . 50794 1 77 . ALA . 50794 1 78 . GLU . 50794 1 79 . TYR . 50794 1 80 . ASP . 50794 1 81 . ARG . 50794 1 82 . THR . 50794 1 83 . HIS . 50794 1 84 . PRO . 50794 1 85 . PRO . 50794 1 86 . ASP . 50794 1 87 . ALA . 50794 1 88 . PRO . 50794 1 89 . ARG . 50794 1 90 . PRO . 50794 1 91 . LEU . 50794 1 92 . PRO . 50794 1 93 . TYR . 50794 1 94 . PHE . 50794 1 95 . THR . 50794 1 96 . ALA . 50794 1 97 . ALA . 50794 1 98 . GLU . 50794 1 99 . ILE . 50794 1 100 . MET . 50794 1 101 . GLY . 50794 1 102 . ILE . 50794 1 103 . GLY . 50794 1 104 . LEU . 50794 1 105 . THR . 50794 1 106 . GLN . 50794 1 107 . GLU . 50794 1 108 . GLN . 50794 1 109 . GLN . 50794 1 110 . ALA . 50794 1 111 . GLU . 50794 1 112 . ALA . 50794 1 113 . ARG . 50794 1 114 . PHE . 50794 1 115 . ALA . 50794 1 116 . PRO . 50794 1 117 . ALA . 50794 1 118 . ARG . 50794 1 119 . MET . 50794 1 120 . GLN . 50794 1 121 . CYS . 50794 1 122 . ARG . 50794 1 123 . ALA . 50794 1 124 . TRP . 50794 1 125 . TYR . 50794 1 126 . LEU . 50794 1 127 . GLU . 50794 1 128 . ALA . 50794 1 129 . LEU . 50794 1 130 . GLY . 50794 1 131 . LYS . 50794 1 132 . LEU . 50794 1 133 . ALA . 50794 1 134 . ALA . 50794 1 135 . ILE . 50794 1 136 . LYS . 50794 1 137 . ALA . 50794 1 138 . LYS . 50794 1 139 . SER . 50794 1 140 . PRO . 50794 1 141 . ARG . 50794 1 142 . ALA . 50794 1 143 . VAL . 50794 1 144 . GLN . 50794 1 145 . LEU . 50794 1 146 . ARG . 50794 1 147 . GLN . 50794 1 148 . GLY . 50794 1 149 . ALA . 50794 1 150 . LYS . 50794 1 151 . GLU . 50794 1 152 . ASP . 50794 1 153 . TYR . 50794 1 154 . SER . 50794 1 155 . SER . 50794 1 156 . PHE . 50794 1 157 . ILE . 50794 1 158 . ASP . 50794 1 159 . ARG . 50794 1 160 . LEU . 50794 1 161 . PHE . 50794 1 162 . ALA . 50794 1 163 . GLN . 50794 1 164 . ILE . 50794 1 165 . ASP . 50794 1 166 . GLN . 50794 1 167 . GLU . 50794 1 168 . GLN . 50794 1 169 . ASN . 50794 1 170 . THR . 50794 1 171 . ALA . 50794 1 172 . GLU . 50794 1 173 . VAL . 50794 1 174 . LYS . 50794 1 175 . LEU . 50794 1 176 . TYR . 50794 1 177 . LEU . 50794 1 178 . LYS . 50794 1 179 . GLN . 50794 1 180 . SER . 50794 1 181 . LEU . 50794 1 182 . SER . 50794 1 183 . ILE . 50794 1 184 . ALA . 50794 1 185 . ASN . 50794 1 186 . ALA . 50794 1 187 . ASN . 50794 1 188 . ALA . 50794 1 189 . ASP . 50794 1 190 . CYS . 50794 1 191 . LYS . 50794 1 192 . LYS . 50794 1 193 . ALA . 50794 1 194 . MET . 50794 1 195 . SER . 50794 1 196 . HIS . 50794 1 197 . LEU . 50794 1 198 . LYS . 50794 1 199 . PRO . 50794 1 200 . GLU . 50794 1 201 . SER . 50794 1 202 . THR . 50794 1 203 . LEU . 50794 1 204 . GLU . 50794 1 205 . GLU . 50794 1 206 . LYS . 50794 1 207 . LEU . 50794 1 208 . ARG . 50794 1 209 . ALA . 50794 1 210 . CYS . 50794 1 211 . GLN . 50794 1 212 . GLU . 50794 1 213 . ILE . 50794 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 . THR 1 1 50794 1 . ILE 2 2 50794 1 . GLN 3 3 50794 1 . THR 4 4 50794 1 . VAL 5 5 50794 1 . ASN 6 6 50794 1 . GLY 7 7 50794 1 . VAL 8 8 50794 1 . PRO 9 9 50794 1 . GLN 10 10 50794 1 . TYR 11 11 50794 1 . VAL 12 12 50794 1 . ALA 13 13 50794 1 . LEU 14 14 50794 1 . ASP 15 15 50794 1 . PRO 16 16 50794 1 . LYS 17 17 50794 1 . MET 18 18 50794 1 . VAL 19 19 50794 1 . SER 20 20 50794 1 . ILE 21 21 50794 1 . PHE 22 22 50794 1 . MET 23 23 50794 1 . GLU 24 24 50794 1 . LYS 25 25 50794 1 . ALA 26 26 50794 1 . ARG 27 27 50794 1 . GLU 28 28 50794 1 . GLY 29 29 50794 1 . LEU 30 30 50794 1 . GLY 31 31 50794 1 . GLY 32 32 50794 1 . GLU 33 33 50794 1 . GLU 34 34 50794 1 . VAL 35 35 50794 1 . GLN 36 36 50794 1 . LEU 37 37 50794 1 . TRP 38 38 50794 1 . PHE 39 39 50794 1 . THR 40 40 50794 1 . ALA 41 41 50794 1 . PHE 42 42 50794 1 . SER 43 43 50794 1 . ALA 44 44 50794 1 . ASN 45 45 50794 1 . LEU 46 46 50794 1 . THR 47 47 50794 1 . PRO 48 48 50794 1 . THR 49 49 50794 1 . ASP 50 50 50794 1 . MET 51 51 50794 1 . ALA 52 52 50794 1 . THR 53 53 50794 1 . LEU 54 54 50794 1 . ILE 55 55 50794 1 . MET 56 56 50794 1 . ALA 57 57 50794 1 . ALA 58 58 50794 1 . PRO 59 59 50794 1 . GLY 60 60 50794 1 . CYS 61 61 50794 1 . ALA 62 62 50794 1 . ALA 63 63 50794 1 . ASP 64 64 50794 1 . LYS 65 65 50794 1 . GLU 66 66 50794 1 . ILE 67 67 50794 1 . LEU 68 68 50794 1 . ASP 69 69 50794 1 . GLU 70 70 50794 1 . SER 71 71 50794 1 . LEU 72 72 50794 1 . LYS 73 73 50794 1 . GLN 74 74 50794 1 . LEU 75 75 50794 1 . THR 76 76 50794 1 . ALA 77 77 50794 1 . GLU 78 78 50794 1 . TYR 79 79 50794 1 . ASP 80 80 50794 1 . ARG 81 81 50794 1 . THR 82 82 50794 1 . HIS 83 83 50794 1 . PRO 84 84 50794 1 . PRO 85 85 50794 1 . ASP 86 86 50794 1 . ALA 87 87 50794 1 . PRO 88 88 50794 1 . ARG 89 89 50794 1 . PRO 90 90 50794 1 . LEU 91 91 50794 1 . PRO 92 92 50794 1 . TYR 93 93 50794 1 . PHE 94 94 50794 1 . THR 95 95 50794 1 . ALA 96 96 50794 1 . ALA 97 97 50794 1 . GLU 98 98 50794 1 . ILE 99 99 50794 1 . MET 100 100 50794 1 . GLY 101 101 50794 1 . ILE 102 102 50794 1 . GLY 103 103 50794 1 . LEU 104 104 50794 1 . THR 105 105 50794 1 . GLN 106 106 50794 1 . GLU 107 107 50794 1 . GLN 108 108 50794 1 . GLN 109 109 50794 1 . ALA 110 110 50794 1 . GLU 111 111 50794 1 . ALA 112 112 50794 1 . ARG 113 113 50794 1 . PHE 114 114 50794 1 . ALA 115 115 50794 1 . PRO 116 116 50794 1 . ALA 117 117 50794 1 . ARG 118 118 50794 1 . MET 119 119 50794 1 . GLN 120 120 50794 1 . CYS 121 121 50794 1 . ARG 122 122 50794 1 . ALA 123 123 50794 1 . TRP 124 124 50794 1 . TYR 125 125 50794 1 . LEU 126 126 50794 1 . GLU 127 127 50794 1 . ALA 128 128 50794 1 . LEU 129 129 50794 1 . GLY 130 130 50794 1 . LYS 131 131 50794 1 . LEU 132 132 50794 1 . ALA 133 133 50794 1 . ALA 134 134 50794 1 . ILE 135 135 50794 1 . LYS 136 136 50794 1 . ALA 137 137 50794 1 . LYS 138 138 50794 1 . SER 139 139 50794 1 . PRO 140 140 50794 1 . ARG 141 141 50794 1 . ALA 142 142 50794 1 . VAL 143 143 50794 1 . GLN 144 144 50794 1 . LEU 145 145 50794 1 . ARG 146 146 50794 1 . GLN 147 147 50794 1 . GLY 148 148 50794 1 . ALA 149 149 50794 1 . LYS 150 150 50794 1 . GLU 151 151 50794 1 . ASP 152 152 50794 1 . TYR 153 153 50794 1 . SER 154 154 50794 1 . SER 155 155 50794 1 . PHE 156 156 50794 1 . ILE 157 157 50794 1 . ASP 158 158 50794 1 . ARG 159 159 50794 1 . LEU 160 160 50794 1 . PHE 161 161 50794 1 . ALA 162 162 50794 1 . GLN 163 163 50794 1 . ILE 164 164 50794 1 . ASP 165 165 50794 1 . GLN 166 166 50794 1 . GLU 167 167 50794 1 . GLN 168 168 50794 1 . ASN 169 169 50794 1 . THR 170 170 50794 1 . ALA 171 171 50794 1 . GLU 172 172 50794 1 . VAL 173 173 50794 1 . LYS 174 174 50794 1 . LEU 175 175 50794 1 . TYR 176 176 50794 1 . LEU 177 177 50794 1 . LYS 178 178 50794 1 . GLN 179 179 50794 1 . SER 180 180 50794 1 . LEU 181 181 50794 1 . SER 182 182 50794 1 . ILE 183 183 50794 1 . ALA 184 184 50794 1 . ASN 185 185 50794 1 . ALA 186 186 50794 1 . ASN 187 187 50794 1 . ALA 188 188 50794 1 . ASP 189 189 50794 1 . CYS 190 190 50794 1 . LYS 191 191 50794 1 . LYS 192 192 50794 1 . ALA 193 193 50794 1 . MET 194 194 50794 1 . SER 195 195 50794 1 . HIS 196 196 50794 1 . LEU 197 197 50794 1 . LYS 198 198 50794 1 . PRO 199 199 50794 1 . GLU 200 200 50794 1 . SER 201 201 50794 1 . THR 202 202 50794 1 . LEU 203 203 50794 1 . GLU 204 204 50794 1 . GLU 205 205 50794 1 . LYS 206 206 50794 1 . LEU 207 207 50794 1 . ARG 208 208 50794 1 . ALA 209 209 50794 1 . CYS 210 210 50794 1 . GLN 211 211 50794 1 . GLU 212 212 50794 1 . ILE 213 213 50794 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 50794 _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 . 11673 organism . 'Feline immunodeficiency virus' FIV . . Viruses . Lentivirus FIV . . . . . . . . . . . . . 50794 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 50794 _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 . . . plasmid . . pPSET . . . 50794 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50794 _Sample.ID 1 _Sample.Name 'sample assignment' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'FIV p24' '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 120 . . uM . . . . 50794 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 50794 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 50794 1 4 DTT 'natural abundance' . . . . . . 3 . . mM . . . . 50794 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 50794 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 50794 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'assignemnt condition' _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' 0.1 . M 50794 1 pH 6.8 . pH 50794 1 pressure 1 . atm 50794 1 temperature 293 . K 50794 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50794 _Software.ID 1 _Software.Type . _Software.Name ANALYSIS _Software.Version 2.5.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50794 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 50794 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 900MHz _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 50794 _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 '1D 1H' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50794 1 2 '2D 1H-15N TROSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50794 1 3 '3D BEST TROSY HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50794 1 4 '3D BEST TROSY HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50794 1 5 '3D BEST TROSY HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50794 1 6 '3D BEST TROSY HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50794 1 7 'TROSY (H)N(CA)NNH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50794 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 50794 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'p24 chemical shift ref' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50794 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50794 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50794 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 50794 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'p24 chemical shift' _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 '2D 1H-15N TROSY' . . . 50794 1 3 '3D BEST TROSY HN(CO)CACB' . . . 50794 1 4 '3D BEST TROSY HNCACB' . . . 50794 1 5 '3D BEST TROSY HNCO' . . . 50794 1 6 '3D BEST TROSY HN(CA)CO' . . . 50794 1 7 'TROSY (H)N(CA)NNH' . . . 50794 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 . . 50794 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 THR C C 13 179.792 . . 1 . . 869 . . 1 THR C . 50794 1 2 . 1 . 1 1 1 THR CA C 13 60.119 . . 1 . . 871 . . 1 THR CA . 50794 1 3 . 1 . 1 1 1 THR CB C 13 67.208 . . 1 . . 870 . . 1 THR CB . 50794 1 4 . 1 . 1 2 2 ILE H H 1 8.401 0.004 . 1 . . 85 . . 2 ILE H . 50794 1 5 . 1 . 1 2 2 ILE C C 13 175.105 0.062 . 1 . . 629 . . 2 ILE C . 50794 1 6 . 1 . 1 2 2 ILE CA C 13 60.494 0.076 . 1 . . 347 . . 2 ILE CA . 50794 1 7 . 1 . 1 2 2 ILE CB C 13 38.640 0.021 . 1 . . 494 . . 2 ILE CB . 50794 1 8 . 1 . 1 2 2 ILE N N 15 125.926 0.034 . 1 . . 86 . . 2 ILE N . 50794 1 9 . 1 . 1 3 3 GLN H H 1 8.771 0.003 . 1 . . 121 . . 3 GLN H . 50794 1 10 . 1 . 1 3 3 GLN C C 13 174.208 0.002 . 1 . . 631 . . 3 GLN C . 50794 1 11 . 1 . 1 3 3 GLN CA C 13 53.053 0.012 . 1 . . 367 . . 3 GLN CA . 50794 1 12 . 1 . 1 3 3 GLN CB C 13 31.123 0.017 . 1 . . 507 . . 3 GLN CB . 50794 1 13 . 1 . 1 3 3 GLN N N 15 127.604 0.038 . 1 . . 122 . . 3 GLN N . 50794 1 14 . 1 . 1 4 4 THR H H 1 8.680 0.003 . 1 . . 125 . . 4 THR H . 50794 1 15 . 1 . 1 4 4 THR C C 13 173.960 0.009 . 1 . . 623 . . 4 THR C . 50794 1 16 . 1 . 1 4 4 THR CA C 13 62.036 0.023 . 1 . . 369 . . 4 THR CA . 50794 1 17 . 1 . 1 4 4 THR CB C 13 67.958 0.022 . 1 . . 509 . . 4 THR CB . 50794 1 18 . 1 . 1 4 4 THR N N 15 120.340 0.024 . 1 . . 126 . . 4 THR N . 50794 1 19 . 1 . 1 5 5 VAL H H 1 8.314 0.003 . 1 . . 101 . . 5 VAL H . 50794 1 20 . 1 . 1 5 5 VAL C C 13 176.229 . . 1 . . 950 . . 5 VAL C . 50794 1 21 . 1 . 1 5 5 VAL CA C 13 61.060 0.01 . 1 . . 355 . . 5 VAL CA . 50794 1 22 . 1 . 1 5 5 VAL CB C 13 32.784 . . 1 . . 500 . . 5 VAL CB . 50794 1 23 . 1 . 1 5 5 VAL N N 15 128.463 0.019 . 1 . . 102 . . 5 VAL N . 50794 1 24 . 1 . 1 6 6 ASN C C 13 175.347 . . 1 . . 888 . . 6 ASN C . 50794 1 25 . 1 . 1 6 6 ASN CA C 13 53.699 . . 1 . . 887 . . 6 ASN CA . 50794 1 26 . 1 . 1 6 6 ASN CB C 13 36.730 . . 1 . . 889 . . 6 ASN CB . 50794 1 27 . 1 . 1 7 7 GLY H H 1 8.239 0.003 . 1 . . 151 . . 7 GLY H . 50794 1 28 . 1 . 1 7 7 GLY C C 13 173.795 0.03 . 1 . . 606 . . 7 GLY C . 50794 1 29 . 1 . 1 7 7 GLY CA C 13 44.681 0.022 . 1 . . 298 . . 7 GLY CA . 50794 1 30 . 1 . 1 7 7 GLY N N 15 101.905 0.036 . 1 . . 152 . . 7 GLY N . 50794 1 31 . 1 . 1 8 8 VAL H H 1 7.574 0.002 . 1 . . 716 . . 8 VAL H . 50794 1 32 . 1 . 1 8 8 VAL CA C 13 58.666 0.013 . 1 . . 718 . . 8 VAL CA . 50794 1 33 . 1 . 1 8 8 VAL CB C 13 33.434 . . 1 . . 486 . . 8 VAL CB . 50794 1 34 . 1 . 1 8 8 VAL N N 15 122.821 0.053 . 1 . . 717 . . 8 VAL N . 50794 1 35 . 1 . 1 9 9 PRO C C 13 176.282 . . 1 . . 894 . . 9 PRO C . 50794 1 36 . 1 . 1 9 9 PRO CA C 13 62.086 . . 1 . . 896 . . 9 PRO CA . 50794 1 37 . 1 . 1 9 9 PRO CB C 13 31.284 . . 1 . . 895 . . 9 PRO CB . 50794 1 38 . 1 . 1 10 10 GLN H H 1 8.839 0.002 . 1 . . 223 . . 10 GLN H . 50794 1 39 . 1 . 1 10 10 GLN C C 13 173.924 0.021 . 1 . . 593 . . 10 GLN C . 50794 1 40 . 1 . 1 10 10 GLN CA C 13 53.334 0.032 . 1 . . 416 . . 10 GLN CA . 50794 1 41 . 1 . 1 10 10 GLN CB C 13 31.937 0.071 . 1 . . 543 . . 10 GLN CB . 50794 1 42 . 1 . 1 10 10 GLN N N 15 120.653 0.025 . 1 . . 224 . . 10 GLN N . 50794 1 43 . 1 . 1 11 11 TYR H H 1 9.121 0.003 . 1 . . 7 . . 11 TYR H . 50794 1 44 . 1 . 1 11 11 TYR C C 13 175.010 0.003 . 1 . . 605 . . 11 TYR C . 50794 1 45 . 1 . 1 11 11 TYR CA C 13 58.965 0.054 . 1 . . 300 . . 11 TYR CA . 50794 1 46 . 1 . 1 11 11 TYR CB C 13 38.068 0.011 . 1 . . 468 . . 11 TYR CB . 50794 1 47 . 1 . 1 11 11 TYR N N 15 123.762 0.053 . 1 . . 8 . . 11 TYR N . 50794 1 48 . 1 . 1 12 12 VAL H H 1 7.690 0.003 . 1 . . 53 . . 12 VAL H . 50794 1 49 . 1 . 1 12 12 VAL C C 13 172.207 0.019 . 1 . . 625 . . 12 VAL C . 50794 1 50 . 1 . 1 12 12 VAL CA C 13 59.135 0.006 . 1 . . 328 . . 12 VAL CA . 50794 1 51 . 1 . 1 12 12 VAL CB C 13 34.101 0.006 . 1 . . 485 . . 12 VAL CB . 50794 1 52 . 1 . 1 12 12 VAL N N 15 127.547 0.038 . 1 . . 54 . . 12 VAL N . 50794 1 53 . 1 . 1 13 13 ALA H H 1 7.923 0.003 . 1 . . 109 . . 13 ALA H . 50794 1 54 . 1 . 1 13 13 ALA C C 13 178.432 0.006 . 1 . . 626 . . 13 ALA C . 50794 1 55 . 1 . 1 13 13 ALA CA C 13 51.715 0.03 . 1 . . 361 . . 13 ALA CA . 50794 1 56 . 1 . 1 13 13 ALA CB C 13 17.716 0.002 . 1 . . 502 . . 13 ALA CB . 50794 1 57 . 1 . 1 13 13 ALA N N 15 124.735 0.049 . 1 . . 110 . . 13 ALA N . 50794 1 58 . 1 . 1 14 14 LEU H H 1 8.092 0.002 . 1 . . 516 . . 14 LEU H . 50794 1 59 . 1 . 1 14 14 LEU C C 13 176.507 0.007 . 1 . . 688 . . 14 LEU C . 50794 1 60 . 1 . 1 14 14 LEU CA C 13 54.829 0.059 . 1 . . 573 . . 14 LEU CA . 50794 1 61 . 1 . 1 14 14 LEU CB C 13 41.436 0.01 . 1 . . 574 . . 14 LEU CB . 50794 1 62 . 1 . 1 14 14 LEU N N 15 120.646 0.017 . 1 . . 517 . . 14 LEU N . 50794 1 63 . 1 . 1 15 15 ASP H H 1 8.025 0.003 . 1 . . 45 . . 15 ASP H . 50794 1 64 . 1 . 1 15 15 ASP C C 13 175.647 . . 1 . . 604 . . 15 ASP C . 50794 1 65 . 1 . 1 15 15 ASP CA C 13 51.123 0.03 . 1 . . 325 . . 15 ASP CA . 50794 1 66 . 1 . 1 15 15 ASP CB C 13 41.625 . . 1 . . 943 . . 15 ASP CB . 50794 1 67 . 1 . 1 15 15 ASP N N 15 126.868 0.024 . 1 . . 46 . . 15 ASP N . 50794 1 68 . 1 . 1 23 23 MET C C 13 176.127 . . 1 . . 1248 . . 23 MET C . 50794 1 69 . 1 . 1 23 23 MET CA C 13 61.276 . . 1 . . 1249 . . 23 MET CA . 50794 1 70 . 1 . 1 24 24 GLU H H 1 8.286 0.003 . 1 . . 1115 . . 24 GLU H . 50794 1 71 . 1 . 1 24 24 GLU C C 13 178.020 0.051 . 1 . . 915 . . 24 GLU C . 50794 1 72 . 1 . 1 24 24 GLU CA C 13 58.821 0.012 . 1 . . 914 . . 24 GLU CA . 50794 1 73 . 1 . 1 24 24 GLU N N 15 115.304 0.032 . 1 . . 1116 . . 24 GLU N . 50794 1 74 . 1 . 1 25 25 LYS H H 1 7.296 0.002 . 1 . . 459 . . 25 LYS H . 50794 1 75 . 1 . 1 25 25 LYS C C 13 179.822 0.017 . 1 . . 748 . . 25 LYS C . 50794 1 76 . 1 . 1 25 25 LYS CA C 13 58.331 0.067 . 1 . . 461 . . 25 LYS CA . 50794 1 77 . 1 . 1 25 25 LYS N N 15 117.667 0.033 . 1 . . 460 . . 25 LYS N . 50794 1 78 . 1 . 1 26 26 ALA H H 1 7.739 0.003 . 1 . . 243 . . 26 ALA H . 50794 1 79 . 1 . 1 26 26 ALA C C 13 177.707 0.004 . 1 . . 667 . . 26 ALA C . 50794 1 80 . 1 . 1 26 26 ALA CA C 13 51.295 0.053 . 1 . . 428 . . 26 ALA CA . 50794 1 81 . 1 . 1 26 26 ALA CB C 13 16.952 0.058 . 1 . . 550 . . 26 ALA CB . 50794 1 82 . 1 . 1 26 26 ALA N N 15 119.397 0.071 . 1 . . 244 . . 26 ALA N . 50794 1 83 . 1 . 1 27 27 ARG H H 1 6.940 0.003 . 1 . . 245 . . 27 ARG H . 50794 1 84 . 1 . 1 27 27 ARG C C 13 177.404 0.004 . 1 . . 666 . . 27 ARG C . 50794 1 85 . 1 . 1 27 27 ARG CA C 13 59.174 0.029 . 1 . . 429 . . 27 ARG CA . 50794 1 86 . 1 . 1 27 27 ARG CB C 13 28.999 0.048 . 1 . . 551 . . 27 ARG CB . 50794 1 87 . 1 . 1 27 27 ARG N N 15 120.145 0.048 . 1 . . 246 . . 27 ARG N . 50794 1 88 . 1 . 1 28 28 GLU H H 1 7.856 0.004 . 1 . . 290 . . 28 GLU H . 50794 1 89 . 1 . 1 28 28 GLU C C 13 175.980 0.004 . 1 . . 680 . . 28 GLU C . 50794 1 90 . 1 . 1 28 28 GLU CA C 13 55.162 0.012 . 1 . . 448 . . 28 GLU CA . 50794 1 91 . 1 . 1 28 28 GLU CB C 13 28.302 0.043 . 1 . . 564 . . 28 GLU CB . 50794 1 92 . 1 . 1 28 28 GLU N N 15 116.033 0.039 . 1 . . 291 . . 28 GLU N . 50794 1 93 . 1 . 1 29 29 GLY H H 1 7.598 0.003 . 1 . . 165 . . 29 GLY H . 50794 1 94 . 1 . 1 29 29 GLY C C 13 175.058 0.002 . 1 . . 665 . . 29 GLY C . 50794 1 95 . 1 . 1 29 29 GLY CA C 13 43.968 0.011 . 1 . . 387 . . 29 GLY CA . 50794 1 96 . 1 . 1 29 29 GLY N N 15 109.334 0.028 . 1 . . 166 . . 29 GLY N . 50794 1 97 . 1 . 1 30 30 LEU H H 1 8.906 0.007 . 1 . . 237 . . 30 LEU H . 50794 1 98 . 1 . 1 30 30 LEU C C 13 175.886 0.014 . 1 . . 669 . . 30 LEU C . 50794 1 99 . 1 . 1 30 30 LEU CA C 13 55.089 0.041 . 1 . . 425 . . 30 LEU CA . 50794 1 100 . 1 . 1 30 30 LEU CB C 13 41.613 . . 1 . . 548 . . 30 LEU CB . 50794 1 101 . 1 . 1 30 30 LEU N N 15 120.569 0.046 . 1 . . 238 . . 30 LEU N . 50794 1 102 . 1 . 1 31 31 GLY H H 1 8.388 0.002 . 1 . . 253 . . 31 GLY H . 50794 1 103 . 1 . 1 31 31 GLY C C 13 173.523 0.024 . 1 . . 690 . . 31 GLY C . 50794 1 104 . 1 . 1 31 31 GLY CA C 13 44.559 0.063 . 1 . . 433 . . 31 GLY CA . 50794 1 105 . 1 . 1 31 31 GLY N N 15 104.310 0.051 . 1 . . 254 . . 31 GLY N . 50794 1 106 . 1 . 1 32 32 GLY H H 1 7.237 0.002 . 1 . . 225 . . 32 GLY H . 50794 1 107 . 1 . 1 32 32 GLY C C 13 174.046 0.007 . 1 . . 660 . . 32 GLY C . 50794 1 108 . 1 . 1 32 32 GLY CA C 13 44.563 0.049 . 1 . . 1472 . . 32 GLY CA . 50794 1 109 . 1 . 1 32 32 GLY N N 15 106.817 0.031 . 1 . . 226 . . 32 GLY N . 50794 1 110 . 1 . 1 33 33 GLU H H 1 8.624 0.004 . 1 . . 27 . . 33 GLU H . 50794 1 111 . 1 . 1 33 33 GLU C C 13 178.599 0.001 . 1 . . 723 . . 33 GLU C . 50794 1 112 . 1 . 1 33 33 GLU CA C 13 59.313 0.039 . 1 . . 312 . . 33 GLU CA . 50794 1 113 . 1 . 1 33 33 GLU CB C 13 29.159 0.012 . 1 . . 476 . . 33 GLU CB . 50794 1 114 . 1 . 1 33 33 GLU N N 15 123.157 0.039 . 1 . . 28 . . 33 GLU N . 50794 1 115 . 1 . 1 34 34 GLU H H 1 8.725 0.003 . 1 . . 385 . . 34 GLU H . 50794 1 116 . 1 . 1 34 34 GLU C C 13 179.963 0.017 . 1 . . 645 . . 34 GLU C . 50794 1 117 . 1 . 1 34 34 GLU CA C 13 59.388 0.036 . 1 . . 1465 . . 34 GLU CA . 50794 1 118 . 1 . 1 34 34 GLU CB C 13 28.242 0.08 . 1 . . 588 . . 34 GLU CB . 50794 1 119 . 1 . 1 34 34 GLU N N 15 117.659 0.06 . 1 . . 386 . . 34 GLU N . 50794 1 120 . 1 . 1 35 35 VAL H H 1 7.939 0.004 . 1 . . 117 . . 35 VAL H . 50794 1 121 . 1 . 1 35 35 VAL C C 13 177.066 0.02 . 1 . . 628 . . 35 VAL C . 50794 1 122 . 1 . 1 35 35 VAL CA C 13 65.572 0.074 . 1 . . 365 . . 35 VAL CA . 50794 1 123 . 1 . 1 35 35 VAL CB C 13 29.934 . . 1 . . 505 . . 35 VAL CB . 50794 1 124 . 1 . 1 35 35 VAL N N 15 120.386 0.121 . 1 . . 118 . . 35 VAL N . 50794 1 125 . 1 . 1 36 36 GLN H H 1 7.723 0.002 . 1 . . 31 . . 36 GLN H . 50794 1 126 . 1 . 1 36 36 GLN C C 13 179.986 0.015 . 1 . . 699 . . 36 GLN C . 50794 1 127 . 1 . 1 36 36 GLN CA C 13 60.106 0.071 . 1 . . 316 . . 36 GLN CA . 50794 1 128 . 1 . 1 36 36 GLN CB C 13 26.606 . . 1 . . 477 . . 36 GLN CB . 50794 1 129 . 1 . 1 36 36 GLN N N 15 120.895 0.025 . 1 . . 32 . . 36 GLN N . 50794 1 130 . 1 . 1 37 37 LEU H H 1 8.579 0.003 . 1 . . 3 . . 37 LEU H . 50794 1 131 . 1 . 1 37 37 LEU C C 13 179.829 0.008 . 1 . . 893 . . 37 LEU C . 50794 1 132 . 1 . 1 37 37 LEU CA C 13 57.997 0.064 . 1 . . 577 . . 37 LEU CA . 50794 1 133 . 1 . 1 37 37 LEU CB C 13 40.414 . . 1 . . 955 . . 37 LEU CB . 50794 1 134 . 1 . 1 37 37 LEU N N 15 123.538 0.063 . 1 . . 4 . . 37 LEU N . 50794 1 135 . 1 . 1 38 38 TRP H H 1 8.090 0.004 . 1 . . 183 . . 38 TRP H . 50794 1 136 . 1 . 1 38 38 TRP C C 13 178.644 0.028 . 1 . . 740 . . 38 TRP C . 50794 1 137 . 1 . 1 38 38 TRP CA C 13 61.696 0.049 . 1 . . 394 . . 38 TRP CA . 50794 1 138 . 1 . 1 38 38 TRP CB C 13 28.942 . . 1 . . 583 . . 38 TRP CB . 50794 1 139 . 1 . 1 38 38 TRP N N 15 121.697 0.03 . 1 . . 184 . . 38 TRP N . 50794 1 140 . 1 . 1 39 39 PHE H H 1 9.359 0.004 . 1 . . 280 . . 39 PHE H . 50794 1 141 . 1 . 1 39 39 PHE C C 13 178.675 0.009 . 1 . . 678 . . 39 PHE C . 50794 1 142 . 1 . 1 39 39 PHE CA C 13 62.172 0.045 . 1 . . 445 . . 39 PHE CA . 50794 1 143 . 1 . 1 39 39 PHE CB C 13 39.022 0.052 . 1 . . 561 . . 39 PHE CB . 50794 1 144 . 1 . 1 39 39 PHE N N 15 119.187 0.131 . 1 . . 281 . . 39 PHE N . 50794 1 145 . 1 . 1 40 40 THR H H 1 8.581 0.002 . 1 . . 213 . . 40 THR H . 50794 1 146 . 1 . 1 40 40 THR C C 13 175.180 0.019 . 1 . . 1464 . . 40 THR C . 50794 1 147 . 1 . 1 40 40 THR CA C 13 67.892 0.005 . 1 . . 412 . . 40 THR CA . 50794 1 148 . 1 . 1 40 40 THR N N 15 118.514 0.028 . 1 . . 214 . . 40 THR N . 50794 1 149 . 1 . 1 41 41 ALA H H 1 7.097 0.002 . 1 . . 143 . . 41 ALA H . 50794 1 150 . 1 . 1 41 41 ALA C C 13 179.896 0.013 . 1 . . 778 . . 41 ALA C . 50794 1 151 . 1 . 1 41 41 ALA CA C 13 54.164 0.028 . 1 . . 376 . . 41 ALA CA . 50794 1 152 . 1 . 1 41 41 ALA CB C 13 17.410 . . 1 . . 518 . . 41 ALA CB . 50794 1 153 . 1 . 1 41 41 ALA N N 15 122.319 0.059 . 1 . . 144 . . 41 ALA N . 50794 1 154 . 1 . 1 42 42 PHE H H 1 7.959 0.004 . 1 . . 971 . . 42 PHE H . 50794 1 155 . 1 . 1 42 42 PHE C C 13 177.297 0.02 . 1 . . 884 . . 42 PHE C . 50794 1 156 . 1 . 1 42 42 PHE CA C 13 58.975 0.051 . 1 . . 886 . . 42 PHE CA . 50794 1 157 . 1 . 1 42 42 PHE CB C 13 37.943 . . 1 . . 885 . . 42 PHE CB . 50794 1 158 . 1 . 1 42 42 PHE N N 15 116.894 0.005 . 1 . . 972 . . 42 PHE N . 50794 1 159 . 1 . 1 43 43 SER H H 1 7.707 0.003 . 1 . . 149 . . 43 SER H . 50794 1 160 . 1 . 1 43 43 SER C C 13 175.354 0.011 . 1 . . 661 . . 43 SER C . 50794 1 161 . 1 . 1 43 43 SER CA C 13 59.767 0.092 . 1 . . 379 . . 43 SER CA . 50794 1 162 . 1 . 1 43 43 SER CB C 13 62.423 0.021 . 1 . . 520 . . 43 SER CB . 50794 1 163 . 1 . 1 43 43 SER N N 15 108.667 0.053 . 1 . . 150 . . 43 SER N . 50794 1 164 . 1 . 1 44 44 ALA H H 1 7.017 0.003 . 1 . . 229 . . 44 ALA H . 50794 1 165 . 1 . 1 44 44 ALA C C 13 176.697 0.011 . 1 . . 662 . . 44 ALA C . 50794 1 166 . 1 . 1 44 44 ALA CA C 13 54.589 0.014 . 1 . . 418 . . 44 ALA CA . 50794 1 167 . 1 . 1 44 44 ALA CB C 13 17.448 0.066 . 1 . . 544 . . 44 ALA CB . 50794 1 168 . 1 . 1 44 44 ALA N N 15 124.531 0.031 . 1 . . 230 . . 44 ALA N . 50794 1 169 . 1 . 1 45 45 ASN H H 1 7.071 0.002 . 1 . . 187 . . 45 ASN H . 50794 1 170 . 1 . 1 45 45 ASN C C 13 173.022 0.003 . 1 . . 602 . . 45 ASN C . 50794 1 171 . 1 . 1 45 45 ASN CA C 13 51.222 0.039 . 1 . . 396 . . 45 ASN CA . 50794 1 172 . 1 . 1 45 45 ASN CB C 13 38.030 0.019 . 1 . . 529 . . 45 ASN CB . 50794 1 173 . 1 . 1 45 45 ASN N N 15 111.378 0.024 . 1 . . 188 . . 45 ASN N . 50794 1 174 . 1 . 1 46 46 LEU H H 1 6.709 0.002 . 1 . . 37 . . 46 LEU H . 50794 1 175 . 1 . 1 46 46 LEU C C 13 176.898 0.001 . 1 . . 612 . . 46 LEU C . 50794 1 176 . 1 . 1 46 46 LEU CA C 13 52.675 0.016 . 1 . . 319 . . 46 LEU CA . 50794 1 177 . 1 . 1 46 46 LEU CB C 13 41.754 0.089 . 1 . . 480 . . 46 LEU CB . 50794 1 178 . 1 . 1 46 46 LEU N N 15 116.402 0.026 . 1 . . 38 . . 46 LEU N . 50794 1 179 . 1 . 1 47 47 THR H H 1 8.442 0.003 . 1 . . 69 . . 47 THR H . 50794 1 180 . 1 . 1 47 47 THR C C 13 174.338 . . 1 . . 611 . . 47 THR C . 50794 1 181 . 1 . 1 47 47 THR CA C 13 60.068 0.041 . 1 . . 338 . . 47 THR CA . 50794 1 182 . 1 . 1 47 47 THR CB C 13 67.120 . . 1 . . 489 . . 47 THR CB . 50794 1 183 . 1 . 1 47 47 THR N N 15 110.821 0.038 . 1 . . 70 . . 47 THR N . 50794 1 184 . 1 . 1 49 49 THR C C 13 177.170 . . 1 . . 874 . . 49 THR C . 50794 1 185 . 1 . 1 49 49 THR CB C 13 69.040 . . 1 . . 1455 . . 49 THR CB . 50794 1 186 . 1 . 1 50 50 ASP H H 1 8.544 0.004 . 1 . . 93 . . 50 ASP H . 50794 1 187 . 1 . 1 50 50 ASP C C 13 177.955 0.036 . 1 . . 619 . . 50 ASP C . 50794 1 188 . 1 . 1 50 50 ASP CA C 13 57.364 0.045 . 1 . . 349 . . 50 ASP CA . 50794 1 189 . 1 . 1 50 50 ASP CB C 13 41.507 . . 1 . . 858 . . 50 ASP CB . 50794 1 190 . 1 . 1 50 50 ASP N N 15 125.535 0.024 . 1 . . 94 . . 50 ASP N . 50794 1 191 . 1 . 1 51 51 MET H H 1 7.939 0.003 . 1 . . 107 . . 51 MET H . 50794 1 192 . 1 . 1 51 51 MET C C 13 176.510 0.003 . 1 . . 672 . . 51 MET C . 50794 1 193 . 1 . 1 51 51 MET CA C 13 60.590 0.015 . 1 . . 358 . . 51 MET CA . 50794 1 194 . 1 . 1 51 51 MET CB C 13 32.376 0.042 . 1 . . 692 . . 51 MET CB . 50794 1 195 . 1 . 1 51 51 MET N N 15 118.122 0.04 . 1 . . 108 . . 51 MET N . 50794 1 196 . 1 . 1 52 52 ALA H H 1 7.493 0.003 . 1 . . 264 . . 52 ALA H . 50794 1 197 . 1 . 1 52 52 ALA C C 13 180.737 0.029 . 1 . . 700 . . 52 ALA C . 50794 1 198 . 1 . 1 52 52 ALA CA C 13 54.883 0.021 . 1 . . 438 . . 52 ALA CA . 50794 1 199 . 1 . 1 52 52 ALA CB C 13 17.208 0.011 . 1 . . 556 . . 52 ALA CB . 50794 1 200 . 1 . 1 52 52 ALA N N 15 119.639 0.02 . 1 . . 265 . . 52 ALA N . 50794 1 201 . 1 . 1 53 53 THR H H 1 8.308 0.002 . 1 . . 13 . . 53 THR H . 50794 1 202 . 1 . 1 53 53 THR C C 13 176.241 0.018 . 1 . . 702 . . 53 THR C . 50794 1 203 . 1 . 1 53 53 THR CA C 13 66.026 0.044 . 1 . . 303 . . 53 THR CA . 50794 1 204 . 1 . 1 53 53 THR CB C 13 68.280 0.033 . 1 . . 471 . . 53 THR CB . 50794 1 205 . 1 . 1 53 53 THR N N 15 116.134 0.054 . 1 . . 14 . . 53 THR N . 50794 1 206 . 1 . 1 54 54 LEU H H 1 7.818 0.003 . 1 . . 39 . . 54 LEU H . 50794 1 207 . 1 . 1 54 54 LEU C C 13 177.128 0.01 . 1 . . 673 . . 54 LEU C . 50794 1 208 . 1 . 1 54 54 LEU CA C 13 57.621 0.076 . 1 . . 322 . . 54 LEU CA . 50794 1 209 . 1 . 1 54 54 LEU CB C 13 40.406 0.007 . 1 . . 481 . . 54 LEU CB . 50794 1 210 . 1 . 1 54 54 LEU N N 15 122.048 0.063 . 1 . . 40 . . 54 LEU N . 50794 1 211 . 1 . 1 55 55 ILE H H 1 7.361 0.004 . 1 . . 268 . . 55 ILE H . 50794 1 212 . 1 . 1 55 55 ILE C C 13 178.599 0.018 . 1 . . 873 . . 55 ILE C . 50794 1 213 . 1 . 1 55 55 ILE CA C 13 62.618 0.052 . 1 . . 439 . . 55 ILE CA . 50794 1 214 . 1 . 1 55 55 ILE CB C 13 34.751 0.167 . 1 . . 567 . . 55 ILE CB . 50794 1 215 . 1 . 1 55 55 ILE N N 15 115.331 0.044 . 1 . . 269 . . 55 ILE N . 50794 1 216 . 1 . 1 56 56 MET H H 1 7.817 0.003 . 1 . . 855 . . 56 MET H . 50794 1 217 . 1 . 1 56 56 MET C C 13 177.124 0.014 . 1 . . 774 . . 56 MET C . 50794 1 218 . 1 . 1 56 56 MET CA C 13 57.323 0.033 . 1 . . 844 . . 56 MET CA . 50794 1 219 . 1 . 1 56 56 MET N N 15 116.118 0.075 . 1 . . 856 . . 56 MET N . 50794 1 220 . 1 . 1 57 57 ALA H H 1 7.457 0.002 . 1 . . 292 . . 57 ALA H . 50794 1 221 . 1 . 1 57 57 ALA C C 13 177.929 0.014 . 1 . . 681 . . 57 ALA C . 50794 1 222 . 1 . 1 57 57 ALA CA C 13 52.222 0.044 . 1 . . 449 . . 57 ALA CA . 50794 1 223 . 1 . 1 57 57 ALA CB C 13 17.861 0.074 . 1 . . 565 . . 57 ALA CB . 50794 1 224 . 1 . 1 57 57 ALA N N 15 119.931 0.034 . 1 . . 293 . . 57 ALA N . 50794 1 225 . 1 . 1 58 58 ALA H H 1 7.243 0.004 . 1 . . 247 . . 58 ALA H . 50794 1 226 . 1 . 1 58 58 ALA C C 13 175.108 . . 1 . . 668 . . 58 ALA C . 50794 1 227 . 1 . 1 58 58 ALA CA C 13 50.149 0.027 . 1 . . 430 . . 58 ALA CA . 50794 1 228 . 1 . 1 58 58 ALA CB C 13 16.990 . . 1 . . 552 . . 58 ALA CB . 50794 1 229 . 1 . 1 58 58 ALA N N 15 120.888 0.025 . 1 . . 248 . . 58 ALA N . 50794 1 230 . 1 . 1 59 59 PRO C C 13 177.448 . . 1 . . 877 . . 59 PRO C . 50794 1 231 . 1 . 1 59 59 PRO CA C 13 62.281 . . 1 . . 878 . . 59 PRO CA . 50794 1 232 . 1 . 1 59 59 PRO CB C 13 30.976 . . 1 . . 879 . . 59 PRO CB . 50794 1 233 . 1 . 1 60 60 GLY H H 1 8.418 0.005 . 1 . . 115 . . 60 GLY H . 50794 1 234 . 1 . 1 60 60 GLY C C 13 174.253 0.007 . 1 . . 751 . . 60 GLY C . 50794 1 235 . 1 . 1 60 60 GLY CA C 13 45.788 0.016 . 1 . . 364 . . 60 GLY CA . 50794 1 236 . 1 . 1 60 60 GLY N N 15 109.795 0.018 . 1 . . 116 . . 60 GLY N . 50794 1 237 . 1 . 1 61 61 CYS H H 1 8.435 0.003 . 1 . . 181 . . 61 CYS H . 50794 1 238 . 1 . 1 61 61 CYS C C 13 175.134 0.007 . 1 . . 755 . . 61 CYS C . 50794 1 239 . 1 . 1 61 61 CYS CA C 13 57.711 0.015 . 1 . . 393 . . 61 CYS CA . 50794 1 240 . 1 . 1 61 61 CYS CB C 13 26.657 0.002 . 1 . . 528 . . 61 CYS CB . 50794 1 241 . 1 . 1 61 61 CYS N N 15 117.501 0.029 . 1 . . 182 . . 61 CYS N . 50794 1 242 . 1 . 1 62 62 ALA H H 1 8.302 0.003 . 1 . . 752 . . 62 ALA H . 50794 1 243 . 1 . 1 62 62 ALA C C 13 180.247 0.04 . 1 . . 1445 . . 62 ALA C . 50794 1 244 . 1 . 1 62 62 ALA CA C 13 55.542 0.026 . 1 . . 756 . . 62 ALA CA . 50794 1 245 . 1 . 1 62 62 ALA CB C 13 17.429 0.03 . 1 . . 754 . . 62 ALA CB . 50794 1 246 . 1 . 1 62 62 ALA N N 15 123.838 0.044 . 1 . . 753 . . 62 ALA N . 50794 1 247 . 1 . 1 63 63 ALA H H 1 8.423 0.003 . 1 . . 221 . . 63 ALA H . 50794 1 248 . 1 . 1 63 63 ALA C C 13 180.168 . . 1 . . 747 . . 63 ALA C . 50794 1 249 . 1 . 1 63 63 ALA CA C 13 54.532 0.055 . 1 . . 370 . . 63 ALA CA . 50794 1 250 . 1 . 1 63 63 ALA CB C 13 17.057 0.128 . 1 . . 542 . . 63 ALA CB . 50794 1 251 . 1 . 1 63 63 ALA N N 15 120.347 0.027 . 1 . . 222 . . 63 ALA N . 50794 1 252 . 1 . 1 64 64 ASP H H 1 7.565 0.002 . 1 . . 203 . . 64 ASP H . 50794 1 253 . 1 . 1 64 64 ASP C C 13 178.251 0.008 . 1 . . 655 . . 64 ASP C . 50794 1 254 . 1 . 1 64 64 ASP CA C 13 56.396 0.038 . 1 . . 405 . . 64 ASP CA . 50794 1 255 . 1 . 1 64 64 ASP CB C 13 40.194 . . 1 . . 535 . . 64 ASP CB . 50794 1 256 . 1 . 1 64 64 ASP N N 15 119.250 0.039 . 1 . . 204 . . 64 ASP N . 50794 1 257 . 1 . 1 65 65 LYS H H 1 7.876 0.003 . 1 . . 241 . . 65 LYS H . 50794 1 258 . 1 . 1 65 65 LYS C C 13 178.559 0.001 . 1 . . 1246 . . 65 LYS C . 50794 1 259 . 1 . 1 65 65 LYS CA C 13 59.356 0.036 . 1 . . 427 . . 65 LYS CA . 50794 1 260 . 1 . 1 65 65 LYS CB C 13 31.200 0.063 . 1 . . 549 . . 65 LYS CB . 50794 1 261 . 1 . 1 65 65 LYS N N 15 118.627 0.051 . 1 . . 242 . . 65 LYS N . 50794 1 262 . 1 . 1 66 66 GLU H H 1 7.694 0.003 . 1 . . 195 . . 66 GLU H . 50794 1 263 . 1 . 1 66 66 GLU C C 13 179.165 0.026 . 1 . . 615 . . 66 GLU C . 50794 1 264 . 1 . 1 66 66 GLU CA C 13 58.838 0.092 . 1 . . 401 . . 66 GLU CA . 50794 1 265 . 1 . 1 66 66 GLU CB C 13 28.514 0.114 . 1 . . 531 . . 66 GLU CB . 50794 1 266 . 1 . 1 66 66 GLU N N 15 119.992 0.01 . 1 . . 196 . . 66 GLU N . 50794 1 267 . 1 . 1 67 67 ILE H H 1 7.985 0.002 . 1 . . 77 . . 67 ILE H . 50794 1 268 . 1 . 1 67 67 ILE CA C 13 61.651 0.026 . 1 . . 343 . . 67 ILE CA . 50794 1 269 . 1 . 1 67 67 ILE CB C 13 39.585 . . 1 . . 721 . . 67 ILE CB . 50794 1 270 . 1 . 1 67 67 ILE N N 15 116.595 0.06 . 1 . . 78 . . 67 ILE N . 50794 1 271 . 1 . 1 73 73 LYS C C 13 178.808 . . 1 . . 1225 . . 73 LYS C . 50794 1 272 . 1 . 1 73 73 LYS CA C 13 58.675 . . 1 . . 1226 . . 73 LYS CA . 50794 1 273 . 1 . 1 74 74 GLN H H 1 7.430 0.001 . 1 . . 159 . . 74 GLN H . 50794 1 274 . 1 . 1 74 74 GLN C C 13 179.215 0.011 . 1 . . 644 . . 74 GLN C . 50794 1 275 . 1 . 1 74 74 GLN CA C 13 58.090 0.041 . 1 . . 383 . . 74 GLN CA . 50794 1 276 . 1 . 1 74 74 GLN CB C 13 26.937 0.018 . 1 . . 523 . . 74 GLN CB . 50794 1 277 . 1 . 1 74 74 GLN N N 15 118.385 0.099 . 1 . . 160 . . 74 GLN N . 50794 1 278 . 1 . 1 75 75 LEU H H 1 7.421 0.003 . 1 . . 239 . . 75 LEU H . 50794 1 279 . 1 . 1 75 75 LEU C C 13 180.096 0.012 . 1 . . 671 . . 75 LEU C . 50794 1 280 . 1 . 1 75 75 LEU CA C 13 57.335 0.11 . 1 . . 426 . . 75 LEU CA . 50794 1 281 . 1 . 1 75 75 LEU CB C 13 39.378 . . 1 . . 586 . . 75 LEU CB . 50794 1 282 . 1 . 1 75 75 LEU N N 15 121.468 0.043 . 1 . . 240 . . 75 LEU N . 50794 1 283 . 1 . 1 76 76 THR H H 1 8.026 0.003 . 1 . . 260 . . 76 THR H . 50794 1 284 . 1 . 1 76 76 THR C C 13 176.586 0.005 . 1 . . 649 . . 76 THR C . 50794 1 285 . 1 . 1 76 76 THR CA C 13 64.397 0.053 . 1 . . 436 . . 76 THR CA . 50794 1 286 . 1 . 1 76 76 THR CB C 13 67.535 0.043 . 1 . . 554 . . 76 THR CB . 50794 1 287 . 1 . 1 76 76 THR N N 15 112.056 0.029 . 1 . . 261 . . 76 THR N . 50794 1 288 . 1 . 1 77 77 ALA H H 1 7.798 0.003 . 1 . . 177 . . 77 ALA H . 50794 1 289 . 1 . 1 77 77 ALA C C 13 181.267 0.012 . 1 . . 683 . . 77 ALA C . 50794 1 290 . 1 . 1 77 77 ALA CA C 13 54.625 0.03 . 1 . . 392 . . 77 ALA CA . 50794 1 291 . 1 . 1 77 77 ALA CB C 13 17.122 0.006 . 1 . . 527 . . 77 ALA CB . 50794 1 292 . 1 . 1 77 77 ALA N N 15 125.091 0.048 . 1 . . 178 . . 77 ALA N . 50794 1 293 . 1 . 1 78 78 GLU H H 1 7.399 0.006 . 1 . . 314 . . 78 GLU H . 50794 1 294 . 1 . 1 78 78 GLU C C 13 178.347 0.007 . 1 . . 780 . . 78 GLU C . 50794 1 295 . 1 . 1 78 78 GLU CA C 13 57.783 0.071 . 1 . . 452 . . 78 GLU CA . 50794 1 296 . 1 . 1 78 78 GLU CB C 13 29.217 . . 1 . . 786 . . 78 GLU CB . 50794 1 297 . 1 . 1 78 78 GLU N N 15 119.150 0.04 . 1 . . 315 . . 78 GLU N . 50794 1 298 . 1 . 1 79 79 TYR H H 1 7.517 0.002 . 1 . . 272 . . 79 TYR H . 50794 1 299 . 1 . 1 79 79 TYR C C 13 179.202 0.013 . 1 . . 674 . . 79 TYR C . 50794 1 300 . 1 . 1 79 79 TYR CA C 13 61.544 0.043 . 1 . . 441 . . 79 TYR CA . 50794 1 301 . 1 . 1 79 79 TYR CB C 13 37.556 . . 1 . . 587 . . 79 TYR CB . 50794 1 302 . 1 . 1 79 79 TYR N N 15 122.150 0.038 . 1 . . 273 . . 79 TYR N . 50794 1 303 . 1 . 1 80 80 ASP H H 1 8.850 0.003 . 1 . . 209 . . 80 ASP H . 50794 1 304 . 1 . 1 80 80 ASP C C 13 178.508 0.016 . 1 . . 592 . . 80 ASP C . 50794 1 305 . 1 . 1 80 80 ASP CA C 13 56.443 0.039 . 1 . . 408 . . 80 ASP CA . 50794 1 306 . 1 . 1 80 80 ASP CB C 13 40.169 0.002 . 1 . . 538 . . 80 ASP CB . 50794 1 307 . 1 . 1 80 80 ASP N N 15 121.409 0.047 . 1 . . 210 . . 80 ASP N . 50794 1 308 . 1 . 1 81 81 ARG H H 1 7.484 0.003 . 1 . . 5 . . 81 ARG H . 50794 1 309 . 1 . 1 81 81 ARG C C 13 177.944 0.013 . 1 . . 624 . . 81 ARG C . 50794 1 310 . 1 . 1 81 81 ARG CA C 13 59.007 0.024 . 1 . . 299 . . 81 ARG CA . 50794 1 311 . 1 . 1 81 81 ARG CB C 13 29.379 0.056 . 1 . . 732 . . 81 ARG CB . 50794 1 312 . 1 . 1 81 81 ARG N N 15 118.495 0.081 . 1 . . 6 . . 81 ARG N . 50794 1 313 . 1 . 1 82 82 THR H H 1 7.071 0.002 . 1 . . 105 . . 82 THR H . 50794 1 314 . 1 . 1 82 82 THR C C 13 174.001 0.016 . 1 . . 640 . . 82 THR C . 50794 1 315 . 1 . 1 82 82 THR CA C 13 60.596 0.017 . 1 . . 357 . . 82 THR CA . 50794 1 316 . 1 . 1 82 82 THR CB C 13 68.947 0.011 . 1 . . 501 . . 82 THR CB . 50794 1 317 . 1 . 1 82 82 THR N N 15 104.583 0.019 . 1 . . 106 . . 82 THR N . 50794 1 318 . 1 . 1 83 83 HIS H H 1 7.490 0.003 . 1 . . 153 . . 83 HIS H . 50794 1 319 . 1 . 1 83 83 HIS C C 13 181.411 . . 1 . . 641 . . 83 HIS C . 50794 1 320 . 1 . 1 83 83 HIS CA C 13 52.483 0.031 . 1 . . 380 . . 83 HIS CA . 50794 1 321 . 1 . 1 83 83 HIS CB C 13 25.893 . . 1 . . 521 . . 83 HIS CB . 50794 1 322 . 1 . 1 83 83 HIS N N 15 121.016 0.043 . 1 . . 154 . . 83 HIS N . 50794 1 323 . 1 . 1 85 85 PRO C C 13 176.109 . . 1 . . 904 . . 85 PRO C . 50794 1 324 . 1 . 1 85 85 PRO CA C 13 63.917 . . 1 . . 905 . . 85 PRO CA . 50794 1 325 . 1 . 1 85 85 PRO CB C 13 31.039 . . 1 . . 906 . . 85 PRO CB . 50794 1 326 . 1 . 1 86 86 ASP H H 1 8.456 0.003 . 1 . . 305 . . 86 ASP H . 50794 1 327 . 1 . 1 86 86 ASP C C 13 175.301 0.004 . 1 . . 682 . . 86 ASP C . 50794 1 328 . 1 . 1 86 86 ASP CA C 13 52.372 0.017 . 1 . . 451 . . 86 ASP CA . 50794 1 329 . 1 . 1 86 86 ASP CB C 13 39.087 0.031 . 1 . . 568 . . 86 ASP CB . 50794 1 330 . 1 . 1 86 86 ASP N N 15 118.145 0.04 . 1 . . 306 . . 86 ASP N . 50794 1 331 . 1 . 1 87 87 ALA H H 1 6.369 0.002 . 1 . . 35 . . 87 ALA H . 50794 1 332 . 1 . 1 87 87 ALA C C 13 172.831 . . 1 . . 601 . . 87 ALA C . 50794 1 333 . 1 . 1 87 87 ALA CA C 13 50.566 0.061 . 1 . . 318 . . 87 ALA CA . 50794 1 334 . 1 . 1 87 87 ALA CB C 13 16.802 . . 1 . . 479 . . 87 ALA CB . 50794 1 335 . 1 . 1 87 87 ALA N N 15 123.140 0.039 . 1 . . 36 . . 87 ALA N . 50794 1 336 . 1 . 1 88 88 PRO C C 13 175.740 . . 1 . . 1169 . . 88 PRO C . 50794 1 337 . 1 . 1 88 88 PRO CA C 13 62.938 0.035 . 1 . . 953 . . 88 PRO CA . 50794 1 338 . 1 . 1 88 88 PRO CB C 13 30.825 . . 1 . . 954 . . 88 PRO CB . 50794 1 339 . 1 . 1 89 89 ARG H H 1 8.043 0.002 . 1 . . 262 . . 89 ARG H . 50794 1 340 . 1 . 1 89 89 ARG C C 13 175.362 . . 1 . . 1412 . . 89 ARG C . 50794 1 341 . 1 . 1 89 89 ARG CA C 13 53.508 0.016 . 1 . . 437 . . 89 ARG CA . 50794 1 342 . 1 . 1 89 89 ARG CB C 13 28.815 . . 1 . . 555 . . 89 ARG CB . 50794 1 343 . 1 . 1 89 89 ARG N N 15 120.952 0.048 . 1 . . 263 . . 89 ARG N . 50794 1 344 . 1 . 1 90 90 PRO C C 13 175.836 . . 1 . . 1459 . . 90 PRO C . 50794 1 345 . 1 . 1 90 90 PRO CA C 13 61.124 . . 1 . . 1461 . . 90 PRO CA . 50794 1 346 . 1 . 1 90 90 PRO CB C 13 33.202 . . 1 . . 1460 . . 90 PRO CB . 50794 1 347 . 1 . 1 91 91 LEU H H 1 8.753 0.003 . 1 . . 99 . . 91 LEU H . 50794 1 348 . 1 . 1 91 91 LEU C C 13 176.990 . . 1 . . 622 . . 91 LEU C . 50794 1 349 . 1 . 1 91 91 LEU CA C 13 51.792 0.015 . 1 . . 354 . . 91 LEU CA . 50794 1 350 . 1 . 1 91 91 LEU CB C 13 41.744 . . 1 . . 499 . . 91 LEU CB . 50794 1 351 . 1 . 1 91 91 LEU N N 15 124.714 0.042 . 1 . . 100 . . 91 LEU N . 50794 1 352 . 1 . 1 93 93 TYR C C 13 175.524 . . 1 . . 902 . . 93 TYR C . 50794 1 353 . 1 . 1 93 93 TYR CA C 13 52.916 0.042 . 1 . . 901 . . 93 TYR CA . 50794 1 354 . 1 . 1 93 93 TYR CB C 13 38.691 . . 1 . . 903 . . 93 TYR CB . 50794 1 355 . 1 . 1 94 94 PHE H H 1 8.466 0.004 . 1 . . 284 . . 94 PHE H . 50794 1 356 . 1 . 1 94 94 PHE C C 13 177.162 0.004 . 1 . . 651 . . 94 PHE C . 50794 1 357 . 1 . 1 94 94 PHE CA C 13 58.074 0.029 . 1 . . 447 . . 94 PHE CA . 50794 1 358 . 1 . 1 94 94 PHE CB C 13 39.009 0.0 . 1 . . 563 . . 94 PHE CB . 50794 1 359 . 1 . 1 94 94 PHE N N 15 116.992 0.038 . 1 . . 285 . . 94 PHE N . 50794 1 360 . 1 . 1 95 95 THR H H 1 9.649 0.003 . 1 . . 189 . . 95 THR H . 50794 1 361 . 1 . 1 95 95 THR C C 13 175.161 0.0 . 1 . . 650 . . 95 THR C . 50794 1 362 . 1 . 1 95 95 THR CA C 13 60.720 0.041 . 1 . . 397 . . 95 THR CA . 50794 1 363 . 1 . 1 95 95 THR CB C 13 70.372 0.062 . 1 . . 584 . . 95 THR CB . 50794 1 364 . 1 . 1 95 95 THR N N 15 116.647 0.048 . 1 . . 190 . . 95 THR N . 50794 1 365 . 1 . 1 96 96 ALA H H 1 8.989 0.003 . 1 . . 41 . . 96 ALA H . 50794 1 366 . 1 . 1 96 96 ALA C C 13 179.099 0.016 . 1 . . 603 . . 96 ALA C . 50794 1 367 . 1 . 1 96 96 ALA CA C 13 55.170 0.015 . 1 . . 323 . . 96 ALA CA . 50794 1 368 . 1 . 1 96 96 ALA CB C 13 17.416 0.024 . 1 . . 482 . . 96 ALA CB . 50794 1 369 . 1 . 1 96 96 ALA N N 15 123.048 0.025 . 1 . . 42 . . 96 ALA N . 50794 1 370 . 1 . 1 97 97 ALA H H 1 8.187 0.003 . 1 . . 695 . . 97 ALA H . 50794 1 371 . 1 . 1 97 97 ALA C C 13 179.068 . . 1 . . 743 . . 97 ALA C . 50794 1 372 . 1 . 1 97 97 ALA CA C 13 54.834 0.036 . 1 . . 589 . . 97 ALA CA . 50794 1 373 . 1 . 1 97 97 ALA CB C 13 17.044 0.061 . 1 . . 590 . . 97 ALA CB . 50794 1 374 . 1 . 1 97 97 ALA N N 15 118.746 0.026 . 1 . . 696 . . 97 ALA N . 50794 1 375 . 1 . 1 98 98 GLU H H 1 7.552 0.004 . 1 . . 65 . . 98 GLU H . 50794 1 376 . 1 . 1 98 98 GLU C C 13 180.035 0.01 . 1 . . 973 . . 98 GLU C . 50794 1 377 . 1 . 1 98 98 GLU CA C 13 59.029 0.048 . 1 . . 951 . . 98 GLU CA . 50794 1 378 . 1 . 1 98 98 GLU CB C 13 29.371 . . 1 . . 952 . . 98 GLU CB . 50794 1 379 . 1 . 1 98 98 GLU N N 15 117.922 0.044 . 1 . . 66 . . 98 GLU N . 50794 1 380 . 1 . 1 99 99 ILE H H 1 8.333 0.002 . 1 . . 169 . . 99 ILE H . 50794 1 381 . 1 . 1 99 99 ILE C C 13 174.289 0.044 . 1 . . 646 . . 99 ILE C . 50794 1 382 . 1 . 1 99 99 ILE CA C 13 65.354 0.065 . 1 . . 389 . . 99 ILE CA . 50794 1 383 . 1 . 1 99 99 ILE CB C 13 36.601 . . 1 . . 525 . . 99 ILE CB . 50794 1 384 . 1 . 1 99 99 ILE N N 15 120.377 0.034 . 1 . . 170 . . 99 ILE N . 50794 1 385 . 1 . 1 100 100 MET H H 1 6.995 0.003 . 1 . . 789 . . 100 MET H . 50794 1 386 . 1 . 1 100 100 MET C C 13 178.116 0.025 . 1 . . 979 . . 100 MET C . 50794 1 387 . 1 . 1 100 100 MET CA C 13 53.735 0.007 . 1 . . 930 . . 100 MET CA . 50794 1 388 . 1 . 1 100 100 MET CB C 13 29.904 0.003 . 1 . . 1450 . . 100 MET CB . 50794 1 389 . 1 . 1 100 100 MET N N 15 109.597 0.052 . 1 . . 790 . . 100 MET N . 50794 1 390 . 1 . 1 101 101 GLY H H 1 8.452 0.003 . 1 . . 977 . . 101 GLY H . 50794 1 391 . 1 . 1 101 101 GLY C C 13 173.205 0.071 . 1 . . 872 . . 101 GLY C . 50794 1 392 . 1 . 1 101 101 GLY CA C 13 45.116 0.03 . 1 . . 980 . . 101 GLY CA . 50794 1 393 . 1 . 1 101 101 GLY N N 15 111.334 0.024 . 1 . . 978 . . 101 GLY N . 50794 1 394 . 1 . 1 102 102 ILE H H 1 8.195 0.003 . 1 . . 733 . . 102 ILE H . 50794 1 395 . 1 . 1 102 102 ILE C C 13 177.188 0.003 . 1 . . 742 . . 102 ILE C . 50794 1 396 . 1 . 1 102 102 ILE CA C 13 61.644 0.028 . 1 . . 750 . . 102 ILE CA . 50794 1 397 . 1 . 1 102 102 ILE CB C 13 34.992 0.069 . 1 . . 739 . . 102 ILE CB . 50794 1 398 . 1 . 1 102 102 ILE N N 15 122.838 0.079 . 1 . . 734 . . 102 ILE N . 50794 1 399 . 1 . 1 103 103 GLY H H 1 8.481 0.003 . 1 . . 350 . . 103 GLY H . 50794 1 400 . 1 . 1 103 103 GLY C C 13 173.598 0.019 . 1 . . 735 . . 103 GLY C . 50794 1 401 . 1 . 1 103 103 GLY CA C 13 44.424 0.016 . 1 . . 738 . . 103 GLY CA . 50794 1 402 . 1 . 1 103 103 GLY N N 15 114.505 0.022 . 1 . . 351 . . 103 GLY N . 50794 1 403 . 1 . 1 104 104 LEU H H 1 7.037 0.002 . 1 . . 147 . . 104 LEU H . 50794 1 404 . 1 . 1 104 104 LEU C C 13 177.406 0.006 . 1 . . 670 . . 104 LEU C . 50794 1 405 . 1 . 1 104 104 LEU CA C 13 52.767 0.033 . 1 . . 378 . . 104 LEU CA . 50794 1 406 . 1 . 1 104 104 LEU CB C 13 44.071 0.051 . 1 . . 519 . . 104 LEU CB . 50794 1 407 . 1 . 1 104 104 LEU N N 15 119.940 0.05 . 1 . . 148 . . 104 LEU N . 50794 1 408 . 1 . 1 105 105 THR H H 1 8.811 0.003 . 1 . . 256 . . 105 THR H . 50794 1 409 . 1 . 1 105 105 THR C C 13 175.834 0.007 . 1 . . 675 . . 105 THR C . 50794 1 410 . 1 . 1 105 105 THR CA C 13 60.191 0.028 . 1 . . 434 . . 105 THR CA . 50794 1 411 . 1 . 1 105 105 THR CB C 13 70.215 0.047 . 1 . . 553 . . 105 THR CB . 50794 1 412 . 1 . 1 105 105 THR N N 15 114.814 0.017 . 1 . . 257 . . 105 THR N . 50794 1 413 . 1 . 1 106 106 GLN H H 1 8.512 0.003 . 1 . . 276 . . 106 GLN H . 50794 1 414 . 1 . 1 106 106 GLN C C 13 177.974 0.025 . 1 . . 608 . . 106 GLN C . 50794 1 415 . 1 . 1 106 106 GLN CA C 13 58.610 0.084 . 1 . . 443 . . 106 GLN CA . 50794 1 416 . 1 . 1 106 106 GLN CB C 13 25.458 0.037 . 1 . . 559 . . 106 GLN CB . 50794 1 417 . 1 . 1 106 106 GLN N N 15 121.107 0.028 . 1 . . 277 . . 106 GLN N . 50794 1 418 . 1 . 1 107 107 GLU H H 1 7.927 0.002 . 1 . . 59 . . 107 GLU H . 50794 1 419 . 1 . 1 107 107 GLU C C 13 180.785 0.011 . 1 . . 634 . . 107 GLU C . 50794 1 420 . 1 . 1 107 107 GLU CA C 13 60.186 0.026 . 1 . . 332 . . 107 GLU CA . 50794 1 421 . 1 . 1 107 107 GLU CB C 13 27.707 0.066 . 1 . . 488 . . 107 GLU CB . 50794 1 422 . 1 . 1 107 107 GLU N N 15 115.134 0.03 . 1 . . 60 . . 107 GLU N . 50794 1 423 . 1 . 1 108 108 GLN H H 1 7.566 0.004 . 1 . . 129 . . 108 GLN H . 50794 1 424 . 1 . 1 108 108 GLN C C 13 179.054 0.014 . 1 . . 633 . . 108 GLN C . 50794 1 425 . 1 . 1 108 108 GLN CA C 13 58.391 0.041 . 1 . . 371 . . 108 GLN CA . 50794 1 426 . 1 . 1 108 108 GLN CB C 13 28.179 0.095 . 1 . . 511 . . 108 GLN CB . 50794 1 427 . 1 . 1 108 108 GLN N N 15 119.795 0.025 . 1 . . 130 . . 108 GLN N . 50794 1 428 . 1 . 1 109 109 GLN H H 1 7.601 0.003 . 1 . . 167 . . 109 GLN H . 50794 1 429 . 1 . 1 109 109 GLN C C 13 176.393 0.014 . 1 . . 599 . . 109 GLN C . 50794 1 430 . 1 . 1 109 109 GLN CA C 13 56.376 0.049 . 1 . . 388 . . 109 GLN CA . 50794 1 431 . 1 . 1 109 109 GLN CB C 13 28.608 0.097 . 1 . . 524 . . 109 GLN CB . 50794 1 432 . 1 . 1 109 109 GLN N N 15 117.134 0.019 . 1 . . 168 . . 109 GLN N . 50794 1 433 . 1 . 1 110 110 ALA H H 1 7.272 0.004 . 1 . . 19 . . 110 ALA H . 50794 1 434 . 1 . 1 110 110 ALA C C 13 175.813 0.015 . 1 . . 598 . . 110 ALA C . 50794 1 435 . 1 . 1 110 110 ALA CA C 13 51.258 0.006 . 1 . . 308 . . 110 ALA CA . 50794 1 436 . 1 . 1 110 110 ALA CB C 13 19.522 0.065 . 1 . . 474 . . 110 ALA CB . 50794 1 437 . 1 . 1 110 110 ALA N N 15 120.250 0.054 . 1 . . 20 . . 110 ALA N . 50794 1 438 . 1 . 1 111 111 GLU H H 1 6.775 0.002 . 1 . . 97 . . 111 GLU H . 50794 1 439 . 1 . 1 111 111 GLU C C 13 179.271 0.013 . 1 . . 609 . . 111 GLU C . 50794 1 440 . 1 . 1 111 111 GLU CA C 13 56.696 0.016 . 1 . . 353 . . 111 GLU CA . 50794 1 441 . 1 . 1 111 111 GLU CB C 13 29.852 0.011 . 1 . . 498 . . 111 GLU CB . 50794 1 442 . 1 . 1 111 111 GLU N N 15 115.781 0.029 . 1 . . 98 . . 111 GLU N . 50794 1 443 . 1 . 1 112 112 ALA H H 1 9.105 0.004 . 1 . . 63 . . 112 ALA H . 50794 1 444 . 1 . 1 112 112 ALA C C 13 182.186 0.003 . 1 . . 658 . . 112 ALA C . 50794 1 445 . 1 . 1 112 112 ALA CA C 13 55.046 0.051 . 1 . . 334 . . 112 ALA CA . 50794 1 446 . 1 . 1 112 112 ALA CB C 13 16.815 0.046 . 1 . . 578 . . 112 ALA CB . 50794 1 447 . 1 . 1 112 112 ALA N N 15 127.879 0.029 . 1 . . 64 . . 112 ALA N . 50794 1 448 . 1 . 1 113 113 ARG H H 1 8.665 0.004 . 1 . . 215 . . 113 ARG H . 50794 1 449 . 1 . 1 113 113 ARG C C 13 175.318 0.021 . 1 . . 656 . . 113 ARG C . 50794 1 450 . 1 . 1 113 113 ARG CA C 13 57.234 0.028 . 1 . . 413 . . 113 ARG CA . 50794 1 451 . 1 . 1 113 113 ARG CB C 13 28.292 0.092 . 1 . . 540 . . 113 ARG CB . 50794 1 452 . 1 . 1 113 113 ARG N N 15 116.264 0.034 . 1 . . 216 . . 113 ARG N . 50794 1 453 . 1 . 1 114 114 PHE H H 1 7.474 0.002 . 1 . . 207 . . 114 PHE H . 50794 1 454 . 1 . 1 114 114 PHE C C 13 175.954 0.006 . 1 . . 657 . . 114 PHE C . 50794 1 455 . 1 . 1 114 114 PHE CA C 13 56.386 0.022 . 1 . . 407 . . 114 PHE CA . 50794 1 456 . 1 . 1 114 114 PHE CB C 13 39.935 0.064 . 1 . . 537 . . 114 PHE CB . 50794 1 457 . 1 . 1 114 114 PHE N N 15 119.107 0.024 . 1 . . 208 . . 114 PHE N . 50794 1 458 . 1 . 1 115 115 ALA H H 1 7.609 0.002 . 1 . . 87 . . 115 ALA H . 50794 1 459 . 1 . 1 115 115 ALA C C 13 175.747 . . 1 . . 617 . . 115 ALA C . 50794 1 460 . 1 . 1 115 115 ALA CA C 13 56.571 0.011 . 1 . . 463 . . 115 ALA CA . 50794 1 461 . 1 . 1 115 115 ALA CB C 13 15.266 . . 1 . . 495 . . 115 ALA CB . 50794 1 462 . 1 . 1 115 115 ALA N N 15 124.316 0.039 . 1 . . 88 . . 115 ALA N . 50794 1 463 . 1 . 1 121 121 CYS C C 13 176.408 . . 1 . . 1444 . . 121 CYS C . 50794 1 464 . 1 . 1 121 121 CYS CA C 13 55.617 0.003 . 1 . . 1449 . . 121 CYS CA . 50794 1 465 . 1 . 1 122 122 ARG H H 1 8.238 0.002 . 1 . . 1022 . . 122 ARG H . 50794 1 466 . 1 . 1 122 122 ARG C C 13 175.924 0.018 . 1 . . 1443 . . 122 ARG C . 50794 1 467 . 1 . 1 122 122 ARG CA C 13 55.631 0.165 . 1 . . 1036 . . 122 ARG CA . 50794 1 468 . 1 . 1 122 122 ARG CB C 13 29.445 . . 1 . . 1448 . . 122 ARG CB . 50794 1 469 . 1 . 1 122 122 ARG N N 15 121.686 0.02 . 1 . . 1023 . . 122 ARG N . 50794 1 470 . 1 . 1 123 123 ALA H H 1 8.063 0.002 . 1 . . 805 . . 123 ALA H . 50794 1 471 . 1 . 1 123 123 ALA C C 13 176.548 0.023 . 1 . . 829 . . 123 ALA C . 50794 1 472 . 1 . 1 123 123 ALA CA C 13 51.937 0.036 . 1 . . 830 . . 123 ALA CA . 50794 1 473 . 1 . 1 123 123 ALA CB C 13 18.189 0.137 . 1 . . 831 . . 123 ALA CB . 50794 1 474 . 1 . 1 123 123 ALA N N 15 126.079 0.029 . 1 . . 806 . . 123 ALA N . 50794 1 475 . 1 . 1 124 124 TRP H H 1 7.742 0.003 . 1 . . 1004 . . 124 TRP H . 50794 1 476 . 1 . 1 124 124 TRP C C 13 181.046 . . 1 . . 1040 . . 124 TRP C . 50794 1 477 . 1 . 1 124 124 TRP CA C 13 56.756 . . 1 . . 1026 . . 124 TRP CA . 50794 1 478 . 1 . 1 124 124 TRP N N 15 126.364 0.052 . 1 . . 1005 . . 124 TRP N . 50794 1 479 . 1 . 1 125 125 TYR C C 13 178.331 . . 1 . . 1439 . . 125 TYR C . 50794 1 480 . 1 . 1 125 125 TYR CA C 13 58.114 . . 1 . . 1440 . . 125 TYR CA . 50794 1 481 . 1 . 1 126 126 LEU H H 1 8.238 0.004 . 1 . . 795 . . 126 LEU H . 50794 1 482 . 1 . 1 126 126 LEU C C 13 178.771 0.001 . 1 . . 1245 . . 126 LEU C . 50794 1 483 . 1 . 1 126 126 LEU CA C 13 57.165 0.03 . 1 . . 821 . . 126 LEU CA . 50794 1 484 . 1 . 1 126 126 LEU CB C 13 40.386 0.137 . 1 . . 822 . . 126 LEU CB . 50794 1 485 . 1 . 1 126 126 LEU N N 15 118.554 0.039 . 1 . . 796 . . 126 LEU N . 50794 1 486 . 1 . 1 127 127 GLU H H 1 7.912 0.004 . 1 . . 185 . . 127 GLU H . 50794 1 487 . 1 . 1 127 127 GLU C C 13 179.265 0.062 . 1 . . 932 . . 127 GLU C . 50794 1 488 . 1 . 1 127 127 GLU CA C 13 58.762 0.067 . 1 . . 395 . . 127 GLU CA . 50794 1 489 . 1 . 1 127 127 GLU N N 15 119.536 0.047 . 1 . . 186 . . 127 GLU N . 50794 1 490 . 1 . 1 128 128 ALA H H 1 8.606 0.002 . 1 . . 960 . . 128 ALA H . 50794 1 491 . 1 . 1 128 128 ALA C C 13 179.942 0.014 . 1 . . 920 . . 128 ALA C . 50794 1 492 . 1 . 1 128 128 ALA CA C 13 55.084 0.041 . 1 . . 962 . . 128 ALA CA . 50794 1 493 . 1 . 1 128 128 ALA N N 15 124.050 0.003 . 1 . . 961 . . 128 ALA N . 50794 1 494 . 1 . 1 129 129 LEU H H 1 8.847 0.003 . 1 . . 799 . . 129 LEU H . 50794 1 495 . 1 . 1 129 129 LEU C C 13 180.065 0.042 . 1 . . 890 . . 129 LEU C . 50794 1 496 . 1 . 1 129 129 LEU CA C 13 57.721 0.067 . 1 . . 824 . . 129 LEU CA . 50794 1 497 . 1 . 1 129 129 LEU N N 15 119.136 0.019 . 1 . . 800 . . 129 LEU N . 50794 1 498 . 1 . 1 130 130 GLY H H 1 8.095 0.002 . 1 . . 175 . . 130 GLY H . 50794 1 499 . 1 . 1 130 130 GLY C C 13 176.812 0.063 . 1 . . 777 . . 130 GLY C . 50794 1 500 . 1 . 1 130 130 GLY CA C 13 46.367 0.043 . 1 . . 391 . . 130 GLY CA . 50794 1 501 . 1 . 1 130 130 GLY N N 15 108.866 0.031 . 1 . . 176 . . 130 GLY N . 50794 1 502 . 1 . 1 131 131 LYS H H 1 7.814 0.003 . 1 . . 43 . . 131 LYS H . 50794 1 503 . 1 . 1 131 131 LYS C C 13 178.918 0.0 . 1 . . 1174 . . 131 LYS C . 50794 1 504 . 1 . 1 131 131 LYS CA C 13 58.326 0.031 . 1 . . 324 . . 131 LYS CA . 50794 1 505 . 1 . 1 131 131 LYS N N 15 123.794 0.067 . 1 . . 44 . . 131 LYS N . 50794 1 506 . 1 . 1 132 132 LEU H H 1 7.545 0.002 . 1 . . 1105 . . 132 LEU H . 50794 1 507 . 1 . 1 132 132 LEU CA C 13 57.342 . . 1 . . 1173 . . 132 LEU CA . 50794 1 508 . 1 . 1 132 132 LEU N N 15 120.054 0.0 . 1 . . 1106 . . 132 LEU N . 50794 1 509 . 1 . 1 135 135 ILE C C 13 177.718 0.011 . 1 . . 1247 . . 135 ILE C . 50794 1 510 . 1 . 1 136 136 LYS H H 1 7.738 0.002 . 1 . . 1107 . . 136 LYS H . 50794 1 511 . 1 . 1 136 136 LYS C C 13 177.720 . . 1 . . 1473 . . 136 LYS C . 50794 1 512 . 1 . 1 136 136 LYS CA C 13 57.457 0.027 . 1 . . 913 . . 136 LYS CA . 50794 1 513 . 1 . 1 136 136 LYS N N 15 119.668 0.0 . 1 . . 1108 . . 136 LYS N . 50794 1 514 . 1 . 1 137 137 ALA H H 1 7.553 0.004 . 1 . . 419 . . 137 ALA H . 50794 1 515 . 1 . 1 137 137 ALA C C 13 178.226 0.018 . 1 . . 1227 . . 137 ALA C . 50794 1 516 . 1 . 1 137 137 ALA CA C 13 52.831 0.013 . 1 . . 458 . . 137 ALA CA . 50794 1 517 . 1 . 1 137 137 ALA CB C 13 17.843 . . 1 . . 572 . . 137 ALA CB . 50794 1 518 . 1 . 1 137 137 ALA N N 15 120.761 0.057 . 1 . . 420 . . 137 ALA N . 50794 1 519 . 1 . 1 138 138 LYS H H 1 7.569 0.003 . 1 . . 288 . . 138 LYS H . 50794 1 520 . 1 . 1 138 138 LYS C C 13 176.527 0.006 . 1 . . 679 . . 138 LYS C . 50794 1 521 . 1 . 1 138 138 LYS CA C 13 55.931 0.043 . 1 . . 720 . . 138 LYS CA . 50794 1 522 . 1 . 1 138 138 LYS CB C 13 31.885 0.0 . 1 . . 714 . . 138 LYS CB . 50794 1 523 . 1 . 1 138 138 LYS N N 15 117.605 0.045 . 1 . . 289 . . 138 LYS N . 50794 1 524 . 1 . 1 139 139 SER H H 1 7.762 0.003 . 1 . . 235 . . 139 SER H . 50794 1 525 . 1 . 1 139 139 SER C C 13 171.969 . . 1 . . 664 . . 139 SER C . 50794 1 526 . 1 . 1 139 139 SER CA C 13 55.855 . . 1 . . 691 . . 139 SER CA . 50794 1 527 . 1 . 1 139 139 SER CB C 13 62.716 . . 1 . . 547 . . 139 SER CB . 50794 1 528 . 1 . 1 139 139 SER N N 15 117.063 0.036 . 1 . . 236 . . 139 SER N . 50794 1 529 . 1 . 1 141 141 ARG C C 13 180.030 0.065 . 1 . . 1463 . . 141 ARG C . 50794 1 530 . 1 . 1 141 141 ARG CA C 13 54.303 0.021 . 1 . . 1462 . . 141 ARG CA . 50794 1 531 . 1 . 1 142 142 ALA H H 1 7.679 0.004 . 1 . . 197 . . 142 ALA H . 50794 1 532 . 1 . 1 142 142 ALA C C 13 180.094 . . 1 . . 616 . . 142 ALA C . 50794 1 533 . 1 . 1 142 142 ALA CA C 13 53.976 0.056 . 1 . . 402 . . 142 ALA CA . 50794 1 534 . 1 . 1 142 142 ALA CB C 13 17.241 . . 1 . . 532 . . 142 ALA CB . 50794 1 535 . 1 . 1 142 142 ALA N N 15 120.691 0.057 . 1 . . 198 . . 142 ALA N . 50794 1 536 . 1 . 1 143 143 VAL H H 1 7.655 0.001 . 1 . . 83 . . 143 VAL H . 50794 1 537 . 1 . 1 143 143 VAL C C 13 178.389 . . 1 . . 757 . . 143 VAL C . 50794 1 538 . 1 . 1 143 143 VAL CA C 13 63.799 0.038 . 1 . . 346 . . 143 VAL CA . 50794 1 539 . 1 . 1 143 143 VAL N N 15 118.909 0.031 . 1 . . 84 . . 143 VAL N . 50794 1 540 . 1 . 1 144 144 GLN C C 13 174.881 . . 1 . . 862 . . 144 GLN C . 50794 1 541 . 1 . 1 144 144 GLN CA C 13 54.789 . . 1 . . 863 . . 144 GLN CA . 50794 1 542 . 1 . 1 145 145 LEU H H 1 7.431 0.002 . 1 . . 33 . . 145 LEU H . 50794 1 543 . 1 . 1 145 145 LEU C C 13 174.589 0.027 . 1 . . 600 . . 145 LEU C . 50794 1 544 . 1 . 1 145 145 LEU CA C 13 56.004 0.028 . 1 . . 317 . . 145 LEU CA . 50794 1 545 . 1 . 1 145 145 LEU CB C 13 40.671 0.008 . 1 . . 478 . . 145 LEU CB . 50794 1 546 . 1 . 1 145 145 LEU N N 15 125.122 0.068 . 1 . . 34 . . 145 LEU N . 50794 1 547 . 1 . 1 146 146 ARG H H 1 8.059 0.003 . 1 . . 113 . . 146 ARG H . 50794 1 548 . 1 . 1 146 146 ARG C C 13 175.841 0.004 . 1 . . 627 . . 146 ARG C . 50794 1 549 . 1 . 1 146 146 ARG CA C 13 53.545 0.018 . 1 . . 363 . . 146 ARG CA . 50794 1 550 . 1 . 1 146 146 ARG CB C 13 31.535 0.039 . 1 . . 504 . . 146 ARG CB . 50794 1 551 . 1 . 1 146 146 ARG N N 15 123.618 0.044 . 1 . . 114 . . 146 ARG N . 50794 1 552 . 1 . 1 147 147 GLN H H 1 7.293 0.002 . 1 . . 111 . . 147 GLN H . 50794 1 553 . 1 . 1 147 147 GLN C C 13 176.963 0.015 . 1 . . 653 . . 147 GLN C . 50794 1 554 . 1 . 1 147 147 GLN CA C 13 54.888 0.033 . 1 . . 362 . . 147 GLN CA . 50794 1 555 . 1 . 1 147 147 GLN CB C 13 26.613 0.04 . 1 . . 503 . . 147 GLN CB . 50794 1 556 . 1 . 1 147 147 GLN N N 15 125.554 0.043 . 1 . . 112 . . 147 GLN N . 50794 1 557 . 1 . 1 148 148 GLY H H 1 9.540 0.004 . 1 . . 193 . . 148 GLY H . 50794 1 558 . 1 . 1 148 148 GLY C C 13 175.242 0.013 . 1 . . 689 . . 148 GLY C . 50794 1 559 . 1 . 1 148 148 GLY CA C 13 44.711 0.023 . 1 . . 467 . . 148 GLY CA . 50794 1 560 . 1 . 1 148 148 GLY N N 15 115.917 0.032 . 1 . . 194 . . 148 GLY N . 50794 1 561 . 1 . 1 149 149 ALA H H 1 8.825 0.002 . 1 . . 51 . . 149 ALA H . 50794 1 562 . 1 . 1 149 149 ALA C C 13 178.107 0.002 . 1 . . 713 . . 149 ALA C . 50794 1 563 . 1 . 1 149 149 ALA CA C 13 55.196 0.016 . 1 . . 705 . . 149 ALA CA . 50794 1 564 . 1 . 1 149 149 ALA CB C 13 17.724 0.052 . 1 . . 724 . . 149 ALA CB . 50794 1 565 . 1 . 1 149 149 ALA N N 15 126.600 0.041 . 1 . . 52 . . 149 ALA N . 50794 1 566 . 1 . 1 150 150 LYS H H 1 8.391 0.004 . 1 . . 706 . . 150 LYS H . 50794 1 567 . 1 . 1 150 150 LYS C C 13 175.442 0.022 . 1 . . 712 . . 150 LYS C . 50794 1 568 . 1 . 1 150 150 LYS CA C 13 53.260 0.056 . 1 . . 296 . . 150 LYS CA . 50794 1 569 . 1 . 1 150 150 LYS CB C 13 30.869 0.023 . 1 . . 710 . . 150 LYS CB . 50794 1 570 . 1 . 1 150 150 LYS N N 15 114.045 0.04 . 1 . . 709 . . 150 LYS N . 50794 1 571 . 1 . 1 151 151 GLU H H 1 6.731 0.002 . 1 . . 707 . . 151 GLU H . 50794 1 572 . 1 . 1 151 151 GLU C C 13 176.354 0.009 . 1 . . 632 . . 151 GLU C . 50794 1 573 . 1 . 1 151 151 GLU CA C 13 54.438 0.023 . 1 . . 719 . . 151 GLU CA . 50794 1 574 . 1 . 1 151 151 GLU CB C 13 30.399 0.043 . 1 . . 711 . . 151 GLU CB . 50794 1 575 . 1 . 1 151 151 GLU N N 15 123.941 0.039 . 1 . . 708 . . 151 GLU N . 50794 1 576 . 1 . 1 152 152 ASP H H 1 8.853 0.003 . 1 . . 127 . . 152 ASP H . 50794 1 577 . 1 . 1 152 152 ASP C C 13 176.394 . . 1 . . 591 . . 152 ASP C . 50794 1 578 . 1 . 1 152 152 ASP CA C 13 54.485 0.067 . 1 . . 1468 . . 152 ASP CA . 50794 1 579 . 1 . 1 152 152 ASP CB C 13 40.587 0.018 . 1 . . 510 . . 152 ASP CB . 50794 1 580 . 1 . 1 152 152 ASP N N 15 130.328 0.046 . 1 . . 128 . . 152 ASP N . 50794 1 581 . 1 . 1 153 153 TYR H H 1 9.192 0.004 . 1 . . 79 . . 153 TYR H . 50794 1 582 . 1 . 1 153 153 TYR C C 13 176.683 0.011 . 1 . . 736 . . 153 TYR C . 50794 1 583 . 1 . 1 153 153 TYR CA C 13 62.489 0.02 . 1 . . 344 . . 153 TYR CA . 50794 1 584 . 1 . 1 153 153 TYR CB C 13 38.264 0.019 . 1 . . 492 . . 153 TYR CB . 50794 1 585 . 1 . 1 153 153 TYR N N 15 126.775 0.034 . 1 . . 80 . . 153 TYR N . 50794 1 586 . 1 . 1 154 154 SER H H 1 8.474 0.003 . 1 . . 23 . . 154 SER H . 50794 1 587 . 1 . 1 154 154 SER C C 13 176.786 . . 1 . . 737 . . 154 SER C . 50794 1 588 . 1 . 1 154 154 SER CA C 13 61.125 0.031 . 1 . . 310 . . 154 SER CA . 50794 1 589 . 1 . 1 154 154 SER N N 15 112.094 0.031 . 1 . . 24 . . 154 SER N . 50794 1 590 . 1 . 1 155 155 SER H H 1 7.327 0.002 . 1 . . 211 . . 155 SER H . 50794 1 591 . 1 . 1 155 155 SER C C 13 176.569 . . 1 . . 741 . . 155 SER C . 50794 1 592 . 1 . 1 155 155 SER CA C 13 60.859 0.034 . 1 . . 411 . . 155 SER CA . 50794 1 593 . 1 . 1 155 155 SER CB C 13 61.704 . . 1 . . 539 . . 155 SER CB . 50794 1 594 . 1 . 1 155 155 SER N N 15 117.394 0.034 . 1 . . 212 . . 155 SER N . 50794 1 595 . 1 . 1 156 156 PHE H H 1 7.652 0.001 . 1 . . 119 . . 156 PHE H . 50794 1 596 . 1 . 1 156 156 PHE C C 13 175.223 0.018 . 1 . . 703 . . 156 PHE C . 50794 1 597 . 1 . 1 156 156 PHE CA C 13 58.890 0.017 . 1 . . 366 . . 156 PHE CA . 50794 1 598 . 1 . 1 156 156 PHE CB C 13 37.401 . . 1 . . 506 . . 156 PHE CB . 50794 1 599 . 1 . 1 156 156 PHE N N 15 124.856 0.043 . 1 . . 120 . . 156 PHE N . 50794 1 600 . 1 . 1 157 157 ILE H H 1 7.977 0.003 . 1 . . 258 . . 157 ILE H . 50794 1 601 . 1 . 1 157 157 ILE C C 13 177.429 0.01 . 1 . . 864 . . 157 ILE C . 50794 1 602 . 1 . 1 157 157 ILE CA C 13 59.874 0.071 . 1 . . 435 . . 157 ILE CA . 50794 1 603 . 1 . 1 157 157 ILE N N 15 120.882 0.04 . 1 . . 259 . . 157 ILE N . 50794 1 604 . 1 . 1 158 158 ASP H H 1 7.237 0.003 . 1 . . 49 . . 158 ASP H . 50794 1 605 . 1 . 1 158 158 ASP C C 13 179.371 0.036 . 1 . . 1176 . . 158 ASP C . 50794 1 606 . 1 . 1 158 158 ASP CA C 13 57.019 0.02 . 1 . . 327 . . 158 ASP CA . 50794 1 607 . 1 . 1 158 158 ASP CB C 13 39.453 . . 1 . . 484 . . 158 ASP CB . 50794 1 608 . 1 . 1 158 158 ASP N N 15 117.832 0.061 . 1 . . 50 . . 158 ASP N . 50794 1 609 . 1 . 1 159 159 ARG H H 1 7.421 0.002 . 1 . . 1109 . . 159 ARG H . 50794 1 610 . 1 . 1 159 159 ARG C C 13 178.751 0.021 . 1 . . 958 . . 159 ARG C . 50794 1 611 . 1 . 1 159 159 ARG CA C 13 58.488 0.075 . 1 . . 1175 . . 159 ARG CA . 50794 1 612 . 1 . 1 159 159 ARG CB C 13 29.228 . . 1 . . 1458 . . 159 ARG CB . 50794 1 613 . 1 . 1 159 159 ARG N N 15 119.339 0.05 . 1 . . 1110 . . 159 ARG N . 50794 1 614 . 1 . 1 160 160 LEU H H 1 8.881 0.002 . 1 . . 956 . . 160 LEU H . 50794 1 615 . 1 . 1 160 160 LEU C C 13 178.307 0.007 . 1 . . 1447 . . 160 LEU C . 50794 1 616 . 1 . 1 160 160 LEU CA C 13 57.362 0.053 . 1 . . 959 . . 160 LEU CA . 50794 1 617 . 1 . 1 160 160 LEU N N 15 124.048 0.037 . 1 . . 957 . . 160 LEU N . 50794 1 618 . 1 . 1 161 161 PHE H H 1 9.322 0.002 . 1 . . 217 . . 161 PHE H . 50794 1 619 . 1 . 1 161 161 PHE C C 13 177.523 0.001 . 1 . . 659 . . 161 PHE C . 50794 1 620 . 1 . 1 161 161 PHE CA C 13 58.858 0.037 . 1 . . 414 . . 161 PHE CA . 50794 1 621 . 1 . 1 161 161 PHE CB C 13 34.613 0.059 . 1 . . 693 . . 161 PHE CB . 50794 1 622 . 1 . 1 161 161 PHE N N 15 119.649 0.021 . 1 . . 218 . . 161 PHE N . 50794 1 623 . 1 . 1 162 162 ALA H H 1 7.363 0.003 . 1 . . 270 . . 162 ALA H . 50794 1 624 . 1 . 1 162 162 ALA C C 13 180.172 0.004 . 1 . . 1446 . . 162 ALA C . 50794 1 625 . 1 . 1 162 162 ALA CA C 13 54.446 0.012 . 1 . . 440 . . 162 ALA CA . 50794 1 626 . 1 . 1 162 162 ALA CB C 13 17.040 0.086 . 1 . . 557 . . 162 ALA CB . 50794 1 627 . 1 . 1 162 162 ALA N N 15 120.206 0.032 . 1 . . 271 . . 162 ALA N . 50794 1 628 . 1 . 1 163 163 GLN H H 1 7.308 0.003 . 1 . . 201 . . 163 GLN H . 50794 1 629 . 1 . 1 163 163 GLN C C 13 178.293 0.056 . 1 . . 779 . . 163 GLN C . 50794 1 630 . 1 . 1 163 163 GLN CA C 13 57.418 0.019 . 1 . . 404 . . 163 GLN CA . 50794 1 631 . 1 . 1 163 163 GLN CB C 13 27.048 . . 1 . . 534 . . 163 GLN CB . 50794 1 632 . 1 . 1 163 163 GLN N N 15 118.100 0.035 . 1 . . 202 . . 163 GLN N . 50794 1 633 . 1 . 1 164 164 ILE H H 1 8.236 0.001 . 1 . . 251 . . 164 ILE H . 50794 1 634 . 1 . 1 164 164 ILE C C 13 178.536 0.002 . 1 . . 685 . . 164 ILE C . 50794 1 635 . 1 . 1 164 164 ILE CA C 13 65.080 0.059 . 1 . . 432 . . 164 ILE CA . 50794 1 636 . 1 . 1 164 164 ILE N N 15 119.682 0.04 . 1 . . 252 . . 164 ILE N . 50794 1 637 . 1 . 1 165 165 ASP H H 1 7.991 0.003 . 1 . . 341 . . 165 ASP H . 50794 1 638 . 1 . 1 165 165 ASP C C 13 177.887 0.02 . 1 . . 722 . . 165 ASP C . 50794 1 639 . 1 . 1 165 165 ASP CA C 13 56.755 0.033 . 1 . . 456 . . 165 ASP CA . 50794 1 640 . 1 . 1 165 165 ASP CB C 13 39.348 0.253 . 1 . . 570 . . 165 ASP CB . 50794 1 641 . 1 . 1 165 165 ASP N N 15 116.779 0.05 . 1 . . 342 . . 165 ASP N . 50794 1 642 . 1 . 1 166 166 GLN H H 1 7.370 0.003 . 1 . . 409 . . 166 GLN H . 50794 1 643 . 1 . 1 166 166 GLN C C 13 176.800 0.01 . 1 . . 759 . . 166 GLN C . 50794 1 644 . 1 . 1 166 166 GLN CA C 13 56.277 0.07 . 1 . . 462 . . 166 GLN CA . 50794 1 645 . 1 . 1 166 166 GLN CB C 13 28.734 0.016 . 1 . . 571 . . 166 GLN CB . 50794 1 646 . 1 . 1 166 166 GLN N N 15 117.484 0.051 . 1 . . 410 . . 166 GLN N . 50794 1 647 . 1 . 1 167 167 GLU H H 1 7.110 0.003 . 1 . . 135 . . 167 GLU H . 50794 1 648 . 1 . 1 167 167 GLU C C 13 175.974 0.009 . 1 . . 636 . . 167 GLU C . 50794 1 649 . 1 . 1 167 167 GLU CA C 13 55.902 0.055 . 1 . . 373 . . 167 GLU CA . 50794 1 650 . 1 . 1 167 167 GLU CB C 13 29.711 0.03 . 1 . . 845 . . 167 GLU CB . 50794 1 651 . 1 . 1 167 167 GLU N N 15 120.446 0.047 . 1 . . 136 . . 167 GLU N . 50794 1 652 . 1 . 1 168 168 GLN H H 1 8.305 0.003 . 1 . . 67 . . 168 GLN H . 50794 1 653 . 1 . 1 168 168 GLN C C 13 175.241 . . 1 . . 610 . . 168 GLN C . 50794 1 654 . 1 . 1 168 168 GLN CA C 13 55.036 0.004 . 1 . . 335 . . 168 GLN CA . 50794 1 655 . 1 . 1 168 168 GLN CB C 13 26.822 . . 1 . . 579 . . 168 GLN CB . 50794 1 656 . 1 . 1 168 168 GLN N N 15 120.887 0.03 . 1 . . 68 . . 168 GLN N . 50794 1 657 . 1 . 1 169 169 ASN C C 13 174.984 0.062 . 1 . . 910 . . 169 ASN C . 50794 1 658 . 1 . 1 169 169 ASN CA C 13 51.941 . . 1 . . 909 . . 169 ASN CA . 50794 1 659 . 1 . 1 169 169 ASN CB C 13 43.111 . . 1 . . 911 . . 169 ASN CB . 50794 1 660 . 1 . 1 170 170 THR H H 1 8.481 0.004 . 1 . . 336 . . 170 THR H . 50794 1 661 . 1 . 1 170 170 THR C C 13 175.076 0.003 . 1 . . 784 . . 170 THR C . 50794 1 662 . 1 . 1 170 170 THR CA C 13 60.809 0.028 . 1 . . 455 . . 170 THR CA . 50794 1 663 . 1 . 1 170 170 THR CB C 13 69.997 0.093 . 1 . . 731 . . 170 THR CB . 50794 1 664 . 1 . 1 170 170 THR N N 15 110.740 0.052 . 1 . . 337 . . 170 THR N . 50794 1 665 . 1 . 1 171 171 ALA H H 1 8.832 0.003 . 1 . . 233 . . 171 ALA H . 50794 1 666 . 1 . 1 171 171 ALA C C 13 180.594 0.011 . 1 . . 648 . . 171 ALA C . 50794 1 667 . 1 . 1 171 171 ALA CA C 13 54.969 0.027 . 1 . . 424 . . 171 ALA CA . 50794 1 668 . 1 . 1 171 171 ALA CB C 13 17.268 0.094 . 1 . . 546 . . 171 ALA CB . 50794 1 669 . 1 . 1 171 171 ALA N N 15 123.981 0.045 . 1 . . 234 . . 171 ALA N . 50794 1 670 . 1 . 1 172 172 GLU H H 1 8.852 0.005 . 1 . . 171 . . 172 GLU H . 50794 1 671 . 1 . 1 172 172 GLU C C 13 179.301 0.027 . 1 . . 647 . . 172 GLU C . 50794 1 672 . 1 . 1 172 172 GLU CA C 13 59.583 0.055 . 1 . . 390 . . 172 GLU CA . 50794 1 673 . 1 . 1 172 172 GLU CB C 13 27.930 0.007 . 1 . . 526 . . 172 GLU CB . 50794 1 674 . 1 . 1 172 172 GLU N N 15 117.543 0.023 . 1 . . 172 . . 172 GLU N . 50794 1 675 . 1 . 1 173 173 VAL H H 1 7.301 0.004 . 1 . . 21 . . 173 VAL H . 50794 1 676 . 1 . 1 173 173 VAL C C 13 177.774 . . 1 . . 746 . . 173 VAL C . 50794 1 677 . 1 . 1 173 173 VAL CA C 13 65.843 0.05 . 1 . . 309 . . 173 VAL CA . 50794 1 678 . 1 . 1 173 173 VAL CB C 13 30.856 . . 1 . . 697 . . 173 VAL CB . 50794 1 679 . 1 . 1 173 173 VAL N N 15 123.021 0.043 . 1 . . 22 . . 173 VAL N . 50794 1 680 . 1 . 1 177 177 LEU C C 13 178.691 . . 1 . . 1228 . . 177 LEU C . 50794 1 681 . 1 . 1 177 177 LEU CA C 13 57.207 0.009 . 1 . . 976 . . 177 LEU CA . 50794 1 682 . 1 . 1 178 178 LYS H H 1 8.023 0.002 . 1 . . 969 . . 178 LYS H . 50794 1 683 . 1 . 1 178 178 LYS C C 13 179.126 0.004 . 1 . . 859 . . 178 LYS C . 50794 1 684 . 1 . 1 178 178 LYS CA C 13 60.006 0.011 . 1 . . 843 . . 178 LYS CA . 50794 1 685 . 1 . 1 178 178 LYS N N 15 119.801 0.077 . 1 . . 970 . . 178 LYS N . 50794 1 686 . 1 . 1 179 179 GLN H H 1 7.680 0.002 . 1 . . 1 . . 179 GLN H . 50794 1 687 . 1 . 1 179 179 GLN C C 13 176.850 0.007 . 1 . . 635 . . 179 GLN C . 50794 1 688 . 1 . 1 179 179 GLN CA C 13 58.717 0.008 . 1 . . 297 . . 179 GLN CA . 50794 1 689 . 1 . 1 179 179 GLN CB C 13 27.751 0.012 . 1 . . 729 . . 179 GLN CB . 50794 1 690 . 1 . 1 179 179 GLN N N 15 117.468 0.036 . 1 . . 2 . . 179 GLN N . 50794 1 691 . 1 . 1 180 180 SER H H 1 8.093 0.003 . 1 . . 133 . . 180 SER H . 50794 1 692 . 1 . 1 180 180 SER C C 13 178.650 0.021 . 1 . . 728 . . 180 SER C . 50794 1 693 . 1 . 1 180 180 SER CA C 13 60.303 0.09 . 1 . . 372 . . 180 SER CA . 50794 1 694 . 1 . 1 180 180 SER CB C 13 62.785 . . 1 . . 512 . . 180 SER CB . 50794 1 695 . 1 . 1 180 180 SER N N 15 110.484 0.039 . 1 . . 134 . . 180 SER N . 50794 1 696 . 1 . 1 181 181 LEU H H 1 9.116 0.003 . 1 . . 274 . . 181 LEU H . 50794 1 697 . 1 . 1 181 181 LEU C C 13 178.226 0.005 . 1 . . 701 . . 181 LEU C . 50794 1 698 . 1 . 1 181 181 LEU CA C 13 57.565 0.031 . 1 . . 442 . . 181 LEU CA . 50794 1 699 . 1 . 1 181 181 LEU CB C 13 40.061 . . 1 . . 558 . . 181 LEU CB . 50794 1 700 . 1 . 1 181 181 LEU N N 15 122.191 0.052 . 1 . . 275 . . 181 LEU N . 50794 1 701 . 1 . 1 182 182 SER H H 1 6.943 0.003 . 1 . . 15 . . 182 SER H . 50794 1 702 . 1 . 1 182 182 SER C C 13 174.885 0.019 . 1 . . 596 . . 182 SER C . 50794 1 703 . 1 . 1 182 182 SER CA C 13 60.328 0.081 . 1 . . 304 . . 182 SER CA . 50794 1 704 . 1 . 1 182 182 SER CB C 13 61.460 0.071 . 1 . . 472 . . 182 SER CB . 50794 1 705 . 1 . 1 182 182 SER N N 15 109.410 0.039 . 1 . . 16 . . 182 SER N . 50794 1 706 . 1 . 1 183 183 ILE H H 1 6.609 0.002 . 1 . . 231 . . 183 ILE H . 50794 1 707 . 1 . 1 183 183 ILE C C 13 176.544 0.011 . 1 . . 663 . . 183 ILE C . 50794 1 708 . 1 . 1 183 183 ILE CA C 13 62.682 0.027 . 1 . . 421 . . 183 ILE CA . 50794 1 709 . 1 . 1 183 183 ILE CB C 13 38.590 . . 1 . . 545 . . 183 ILE CB . 50794 1 710 . 1 . 1 183 183 ILE N N 15 119.381 0.049 . 1 . . 232 . . 183 ILE N . 50794 1 711 . 1 . 1 184 184 ALA H H 1 8.121 0.002 . 1 . . 282 . . 184 ALA H . 50794 1 712 . 1 . 1 184 184 ALA C C 13 178.644 0.033 . 1 . . 652 . . 184 ALA C . 50794 1 713 . 1 . 1 184 184 ALA CA C 13 54.968 0.049 . 1 . . 446 . . 184 ALA CA . 50794 1 714 . 1 . 1 184 184 ALA CB C 13 17.880 . . 1 . . 562 . . 184 ALA CB . 50794 1 715 . 1 . 1 184 184 ALA N N 15 118.350 0.018 . 1 . . 283 . . 184 ALA N . 50794 1 716 . 1 . 1 185 185 ASN H H 1 8.015 0.002 . 1 . . 191 . . 185 ASN H . 50794 1 717 . 1 . 1 185 185 ASN C C 13 174.397 0.018 . 1 . . 607 . . 185 ASN C . 50794 1 718 . 1 . 1 185 185 ASN CA C 13 51.742 0.025 . 1 . . 398 . . 185 ASN CA . 50794 1 719 . 1 . 1 185 185 ASN CB C 13 35.959 0.035 . 1 . . 530 . . 185 ASN CB . 50794 1 720 . 1 . 1 185 185 ASN N N 15 114.333 0.058 . 1 . . 192 . . 185 ASN N . 50794 1 721 . 1 . 1 186 186 ALA H H 1 7.034 0.003 . 1 . . 55 . . 186 ALA H . 50794 1 722 . 1 . 1 186 186 ALA C C 13 175.715 0.019 . 1 . . 715 . . 186 ALA C . 50794 1 723 . 1 . 1 186 186 ALA CA C 13 50.979 0.059 . 1 . . 331 . . 186 ALA CA . 50794 1 724 . 1 . 1 186 186 ALA CB C 13 18.407 0.046 . 1 . . 487 . . 186 ALA CB . 50794 1 725 . 1 . 1 186 186 ALA N N 15 123.908 0.063 . 1 . . 56 . . 186 ALA N . 50794 1 726 . 1 . 1 187 187 ASN H H 1 8.731 0.002 . 1 . . 163 . . 187 ASN H . 50794 1 727 . 1 . 1 187 187 ASN C C 13 174.749 0.012 . 1 . . 725 . . 187 ASN C . 50794 1 728 . 1 . 1 187 187 ASN CA C 13 50.839 0.06 . 1 . . 384 . . 187 ASN CA . 50794 1 729 . 1 . 1 187 187 ASN CB C 13 36.720 0.014 . 1 . . 730 . . 187 ASN CB . 50794 1 730 . 1 . 1 187 187 ASN N N 15 117.784 0.113 . 1 . . 164 . . 187 ASN N . 50794 1 731 . 1 . 1 188 188 ALA H H 1 8.207 0.003 . 1 . . 219 . . 188 ALA H . 50794 1 732 . 1 . 1 188 188 ALA C C 13 180.665 0.013 . 1 . . 761 . . 188 ALA C . 50794 1 733 . 1 . 1 188 188 ALA CA C 13 55.207 0.006 . 1 . . 415 . . 188 ALA CA . 50794 1 734 . 1 . 1 188 188 ALA CB C 13 17.715 0.004 . 1 . . 541 . . 188 ALA CB . 50794 1 735 . 1 . 1 188 188 ALA N N 15 119.171 0.045 . 1 . . 220 . . 188 ALA N . 50794 1 736 . 1 . 1 189 189 ASP H H 1 7.764 0.002 . 1 . . 205 . . 189 ASP H . 50794 1 737 . 1 . 1 189 189 ASP C C 13 179.390 0.038 . 1 . . 760 . . 189 ASP C . 50794 1 738 . 1 . 1 189 189 ASP CA C 13 56.916 0.009 . 1 . . 406 . . 189 ASP CA . 50794 1 739 . 1 . 1 189 189 ASP CB C 13 39.748 0.095 . 1 . . 536 . . 189 ASP CB . 50794 1 740 . 1 . 1 189 189 ASP N N 15 118.004 0.06 . 1 . . 206 . . 189 ASP N . 50794 1 741 . 1 . 1 190 190 CYS H H 1 8.705 0.003 . 1 . . 47 . . 190 CYS H . 50794 1 742 . 1 . 1 190 190 CYS C C 13 176.224 0.009 . 1 . . 698 . . 190 CYS C . 50794 1 743 . 1 . 1 190 190 CYS CA C 13 63.717 0.039 . 1 . . 326 . . 190 CYS CA . 50794 1 744 . 1 . 1 190 190 CYS CB C 13 27.479 0.055 . 1 . . 483 . . 190 CYS CB . 50794 1 745 . 1 . 1 190 190 CYS N N 15 121.279 0.063 . 1 . . 48 . . 190 CYS N . 50794 1 746 . 1 . 1 191 191 LYS H H 1 8.789 0.004 . 1 . . 157 . . 191 LYS H . 50794 1 747 . 1 . 1 191 191 LYS C C 13 180.421 0.009 . 1 . . 842 . . 191 LYS C . 50794 1 748 . 1 . 1 191 191 LYS CA C 13 61.067 0.053 . 1 . . 382 . . 191 LYS CA . 50794 1 749 . 1 . 1 191 191 LYS CB C 13 31.401 0.045 . 1 . . 522 . . 191 LYS CB . 50794 1 750 . 1 . 1 191 191 LYS N N 15 120.589 0.04 . 1 . . 158 . . 191 LYS N . 50794 1 751 . 1 . 1 192 192 LYS H H 1 7.386 0.002 . 1 . . 29 . . 192 LYS H . 50794 1 752 . 1 . 1 192 192 LYS C C 13 179.916 0.013 . 1 . . 684 . . 192 LYS C . 50794 1 753 . 1 . 1 192 192 LYS CA C 13 58.982 0.038 . 1 . . 313 . . 192 LYS CA . 50794 1 754 . 1 . 1 192 192 LYS CB C 13 31.012 . . 1 . . 585 . . 192 LYS CB . 50794 1 755 . 1 . 1 192 192 LYS N N 15 118.828 0.038 . 1 . . 30 . . 192 LYS N . 50794 1 756 . 1 . 1 193 193 ALA H H 1 7.580 0.003 . 1 . . 329 . . 193 ALA H . 50794 1 757 . 1 . 1 193 193 ALA C C 13 178.178 0.009 . 1 . . 677 . . 193 ALA C . 50794 1 758 . 1 . 1 193 193 ALA CA C 13 53.944 0.039 . 1 . . 454 . . 193 ALA CA . 50794 1 759 . 1 . 1 193 193 ALA CB C 13 17.589 0.05 . 1 . . 781 . . 193 ALA CB . 50794 1 760 . 1 . 1 193 193 ALA N N 15 123.353 0.048 . 1 . . 330 . . 193 ALA N . 50794 1 761 . 1 . 1 194 194 MET H H 1 7.187 0.002 . 1 . . 278 . . 194 MET H . 50794 1 762 . 1 . 1 194 194 MET C C 13 177.275 0.006 . 1 . . 676 . . 194 MET C . 50794 1 763 . 1 . 1 194 194 MET CA C 13 55.143 0.028 . 1 . . 444 . . 194 MET CA . 50794 1 764 . 1 . 1 194 194 MET CB C 13 33.018 0.049 . 1 . . 560 . . 194 MET CB . 50794 1 765 . 1 . 1 194 194 MET N N 15 112.826 0.011 . 1 . . 279 . . 194 MET N . 50794 1 766 . 1 . 1 195 195 SER H H 1 7.446 0.003 . 1 . . 11 . . 195 SER H . 50794 1 767 . 1 . 1 195 195 SER C C 13 174.081 . . 1 . . 595 . . 195 SER C . 50794 1 768 . 1 . 1 195 195 SER CA C 13 61.640 0.017 . 1 . . 302 . . 195 SER CA . 50794 1 769 . 1 . 1 195 195 SER CB C 13 62.542 . . 1 . . 470 . . 195 SER CB . 50794 1 770 . 1 . 1 195 195 SER N N 15 116.616 0.041 . 1 . . 12 . . 195 SER N . 50794 1 771 . 1 . 1 196 196 HIS C C 13 175.081 . . 1 . . 1452 . . 196 HIS C . 50794 1 772 . 1 . 1 196 196 HIS CA C 13 55.623 . . 1 . . 1451 . . 196 HIS CA . 50794 1 773 . 1 . 1 196 196 HIS CB C 13 29.186 . . 1 . . 1453 . . 196 HIS CB . 50794 1 774 . 1 . 1 197 197 LEU H H 1 7.493 0.003 . 1 . . 139 . . 197 LEU H . 50794 1 775 . 1 . 1 197 197 LEU C C 13 175.249 0.002 . 1 . . 638 . . 197 LEU C . 50794 1 776 . 1 . 1 197 197 LEU CA C 13 52.803 0.054 . 1 . . 375 . . 197 LEU CA . 50794 1 777 . 1 . 1 197 197 LEU CB C 13 41.415 0.063 . 1 . . 514 . . 197 LEU CB . 50794 1 778 . 1 . 1 197 197 LEU N N 15 122.659 0.035 . 1 . . 140 . . 197 LEU N . 50794 1 779 . 1 . 1 198 198 LYS H H 1 8.333 0.004 . 1 . . 137 . . 198 LYS H . 50794 1 780 . 1 . 1 198 198 LYS C C 13 175.530 . . 1 . . 637 . . 198 LYS C . 50794 1 781 . 1 . 1 198 198 LYS CA C 13 52.945 . . 1 . . 374 . . 198 LYS CA . 50794 1 782 . 1 . 1 198 198 LYS CB C 13 31.801 . . 1 . . 513 . . 198 LYS CB . 50794 1 783 . 1 . 1 198 198 LYS N N 15 119.059 0.034 . 1 . . 138 . . 198 LYS N . 50794 1 784 . 1 . 1 199 199 PRO C C 13 177.689 . . 1 . . 868 . . 199 PRO C . 50794 1 785 . 1 . 1 199 199 PRO CA C 13 65.849 0.06 . 1 . . 867 . . 199 PRO CA . 50794 1 786 . 1 . 1 199 199 PRO CB C 13 30.655 . . 1 . . 866 . . 199 PRO CB . 50794 1 787 . 1 . 1 200 200 GLU H H 1 8.748 0.002 . 1 . . 71 . . 200 GLU H . 50794 1 788 . 1 . 1 200 200 GLU C C 13 177.017 0.003 . 1 . . 654 . . 200 GLU C . 50794 1 789 . 1 . 1 200 200 GLU CA C 13 56.710 0.025 . 1 . . 339 . . 200 GLU CA . 50794 1 790 . 1 . 1 200 200 GLU CB C 13 27.054 0.011 . 1 . . 490 . . 200 GLU CB . 50794 1 791 . 1 . 1 200 200 GLU N N 15 112.219 0.058 . 1 . . 72 . . 200 GLU N . 50794 1 792 . 1 . 1 201 201 SER H H 1 7.830 0.003 . 1 . . 199 . . 201 SER H . 50794 1 793 . 1 . 1 201 201 SER C C 13 173.550 0.021 . 1 . . 620 . . 201 SER C . 50794 1 794 . 1 . 1 201 201 SER CA C 13 60.088 0.04 . 1 . . 403 . . 201 SER CA . 50794 1 795 . 1 . 1 201 201 SER CB C 13 62.190 0.022 . 1 . . 533 . . 201 SER CB . 50794 1 796 . 1 . 1 201 201 SER N N 15 120.046 0.034 . 1 . . 200 . . 201 SER N . 50794 1 797 . 1 . 1 202 202 THR H H 1 8.521 0.003 . 1 . . 95 . . 202 THR H . 50794 1 798 . 1 . 1 202 202 THR C C 13 175.559 0.007 . 1 . . 621 . . 202 THR C . 50794 1 799 . 1 . 1 202 202 THR CA C 13 61.493 0.038 . 1 . . 352 . . 202 THR CA . 50794 1 800 . 1 . 1 202 202 THR CB C 13 70.147 0.013 . 1 . . 497 . . 202 THR CB . 50794 1 801 . 1 . 1 202 202 THR N N 15 114.726 0.031 . 1 . . 96 . . 202 THR N . 50794 1 802 . 1 . 1 203 203 LEU H H 1 8.689 0.004 . 1 . . 81 . . 203 LEU H . 50794 1 803 . 1 . 1 203 203 LEU C C 13 178.748 0.003 . 1 . . 642 . . 203 LEU C . 50794 1 804 . 1 . 1 203 203 LEU CA C 13 57.335 0.04 . 1 . . 345 . . 203 LEU CA . 50794 1 805 . 1 . 1 203 203 LEU CB C 13 40.199 0.003 . 1 . . 493 . . 203 LEU CB . 50794 1 806 . 1 . 1 203 203 LEU N N 15 123.198 0.035 . 1 . . 82 . . 203 LEU N . 50794 1 807 . 1 . 1 204 204 GLU H H 1 8.618 0.003 . 1 . . 25 . . 204 GLU H . 50794 1 808 . 1 . 1 204 204 GLU C C 13 179.130 0.007 . 1 . . 613 . . 204 GLU C . 50794 1 809 . 1 . 1 204 204 GLU CA C 13 60.078 0.04 . 1 . . 311 . . 204 GLU CA . 50794 1 810 . 1 . 1 204 204 GLU CB C 13 27.982 0.0 . 1 . . 475 . . 204 GLU CB . 50794 1 811 . 1 . 1 204 204 GLU N N 15 116.898 0.028 . 1 . . 26 . . 204 GLU N . 50794 1 812 . 1 . 1 205 205 GLU H H 1 7.596 0.002 . 1 . . 75 . . 205 GLU H . 50794 1 813 . 1 . 1 205 205 GLU C C 13 179.411 0.008 . 1 . . 614 . . 205 GLU C . 50794 1 814 . 1 . 1 205 205 GLU CA C 13 59.167 0.013 . 1 . . 340 . . 205 GLU CA . 50794 1 815 . 1 . 1 205 205 GLU CB C 13 29.298 0.055 . 1 . . 491 . . 205 GLU CB . 50794 1 816 . 1 . 1 205 205 GLU N N 15 118.795 0.019 . 1 . . 76 . . 205 GLU N . 50794 1 817 . 1 . 1 206 206 LYS H H 1 7.514 0.003 . 1 . . 981 . . 206 LYS H . 50794 1 818 . 1 . 1 206 206 LYS C C 13 177.415 0.003 . 1 . . 983 . . 206 LYS C . 50794 1 819 . 1 . 1 206 206 LYS CA C 13 60.076 0.071 . 1 . . 984 . . 206 LYS CA . 50794 1 820 . 1 . 1 206 206 LYS CB C 13 31.421 0.031 . 1 . . 1475 . . 206 LYS CB . 50794 1 821 . 1 . 1 206 206 LYS N N 15 122.697 0.022 . 1 . . 982 . . 206 LYS N . 50794 1 822 . 1 . 1 207 207 LEU H H 1 8.773 0.003 . 1 . . 797 . . 207 LEU H . 50794 1 823 . 1 . 1 207 207 LEU C C 13 180.799 0.019 . 1 . . 686 . . 207 LEU C . 50794 1 824 . 1 . 1 207 207 LEU CA C 13 57.622 0.093 . 1 . . 823 . . 207 LEU CA . 50794 1 825 . 1 . 1 207 207 LEU CB C 13 40.770 . . 1 . . 840 . . 207 LEU CB . 50794 1 826 . 1 . 1 207 207 LEU N N 15 117.630 0.056 . 1 . . 798 . . 207 LEU N . 50794 1 827 . 1 . 1 208 208 ARG H H 1 7.921 0.003 . 1 . . 359 . . 208 ARG H . 50794 1 828 . 1 . 1 208 208 ARG C C 13 179.195 0.009 . 1 . . 618 . . 208 ARG C . 50794 1 829 . 1 . 1 208 208 ARG CA C 13 58.407 0.051 . 1 . . 457 . . 208 ARG CA . 50794 1 830 . 1 . 1 208 208 ARG CB C 13 29.026 0.012 . 1 . . 704 . . 208 ARG CB . 50794 1 831 . 1 . 1 208 208 ARG N N 15 117.796 0.062 . 1 . . 360 . . 208 ARG N . 50794 1 832 . 1 . 1 209 209 ALA H H 1 7.652 0.002 . 1 . . 91 . . 209 ALA H . 50794 1 833 . 1 . 1 209 209 ALA C C 13 179.651 0.003 . 1 . . 594 . . 209 ALA C . 50794 1 834 . 1 . 1 209 209 ALA CA C 13 54.209 0.046 . 1 . . 348 . . 209 ALA CA . 50794 1 835 . 1 . 1 209 209 ALA CB C 13 17.443 . . 1 . . 496 . . 209 ALA CB . 50794 1 836 . 1 . 1 209 209 ALA N N 15 121.095 0.068 . 1 . . 92 . . 209 ALA N . 50794 1 837 . 1 . 1 210 210 CYS H H 1 7.035 0.003 . 1 . . 9 . . 210 CYS H . 50794 1 838 . 1 . 1 210 210 CYS C C 13 175.300 0.021 . 1 . . 694 . . 210 CYS C . 50794 1 839 . 1 . 1 210 210 CYS CA C 13 58.822 0.027 . 1 . . 301 . . 210 CYS CA . 50794 1 840 . 1 . 1 210 210 CYS CB C 13 27.934 0.002 . 1 . . 469 . . 210 CYS CB . 50794 1 841 . 1 . 1 210 210 CYS N N 15 112.304 0.061 . 1 . . 10 . . 210 CYS N . 50794 1 842 . 1 . 1 211 211 GLN H H 1 7.256 0.003 . 1 . . 294 . . 211 GLN H . 50794 1 843 . 1 . 1 211 211 GLN C C 13 176.257 0.008 . 1 . . 639 . . 211 GLN C . 50794 1 844 . 1 . 1 211 211 GLN CA C 13 57.622 0.039 . 1 . . 450 . . 211 GLN CA . 50794 1 845 . 1 . 1 211 211 GLN CB C 13 28.096 0.008 . 1 . . 566 . . 211 GLN CB . 50794 1 846 . 1 . 1 211 211 GLN N N 15 120.839 0.04 . 1 . . 295 . . 211 GLN N . 50794 1 847 . 1 . 1 212 212 GLU H H 1 8.203 0.003 . 1 . . 141 . . 212 GLU H . 50794 1 848 . 1 . 1 212 212 GLU C C 13 175.222 0.008 . 1 . . 881 . . 212 GLU C . 50794 1 849 . 1 . 1 212 212 GLU CA C 13 55.642 0.058 . 1 . . 880 . . 212 GLU CA . 50794 1 850 . 1 . 1 212 212 GLU CB C 13 28.352 0.016 . 1 . . 515 . . 212 GLU CB . 50794 1 851 . 1 . 1 212 212 GLU N N 15 118.567 0.046 . 1 . . 142 . . 212 GLU N . 50794 1 852 . 1 . 1 213 213 ILE H H 1 7.095 0.003 . 1 . . 123 . . 213 ILE H . 50794 1 853 . 1 . 1 213 213 ILE C C 13 181.285 . . 1 . . 630 . . 213 ILE C . 50794 1 854 . 1 . 1 213 213 ILE CA C 13 62.396 0.047 . 1 . . 368 . . 213 ILE CA . 50794 1 855 . 1 . 1 213 213 ILE CB C 13 36.983 . . 1 . . 508 . . 213 ILE CB . 50794 1 856 . 1 . 1 213 213 ILE N N 15 125.326 0.037 . 1 . . 124 . . 213 ILE N . 50794 1 stop_ save_