data_26759 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26759 _Entry.Title ; Backbone resonance assignments for the SET domain of the human methyltransferase NSD2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-03-17 _Entry.Accession_date 2016-03-17 _Entry.Last_release_date 2016-07-14 _Entry.Original_release_date 2016-07-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details ; Backbone HN, N, C, CA and side-chain CB resonance assignments for the SET domain of the human methyltransferase NSD2 [Y991-G1203]. ; _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 Romel Bobby . . . . 26759 2 Karolina Peciak . . . . 26759 3 Alexander Milbradt . G. . . 26759 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 26759 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Discovery Sciences, Innovative Medicines and Early Development Biotech Unit' . 26759 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID MMSET . 26759 NSD2 . 26759 'SET domain' . 26759 'backbone assignment' . 26759 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26759 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 584 26759 '15N chemical shifts' 189 26759 '1H chemical shifts' 189 26759 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 . . 2016-10-26 2016-03-17 update BMRB 'update entry citation' 26759 1 . . 2016-07-14 2016-03-17 original author 'original release' 26759 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26759 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27368234 _Citation.Full_citation . _Citation.Title ; Backbone resonance assignments for the SET domain of the human methyltransferase NSD2 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 2 _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 307 _Citation.Page_last 310 _Citation.Year 2016 _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 Romel Bobby . . . . 26759 1 2 Karolina Peciak . . . . 26759 1 3 Alexander Milbradt . G. . . 26759 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID MMSET 26759 1 NSD2 26759 1 'SET Domain' 26759 1 'backbone assignment' 26759 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26759 _Assembly.ID 1 _Assembly.Name 'NSD2 C16' _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 . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 24308.6269 _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 'NSD2 C16' 1 $NSD2_C16 A . yes native no no . . . 26759 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NSD2_C16 _Entity.Sf_category entity _Entity.Sf_framecode NSD2_C16 _Entity.Entry_ID 26759 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NSD2_C16 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSYKHIKVNKPYGKVQIYTA DISEIPKCNCKPTDENPCGF DSECLNRMLMFECHPQVCPA GEFCQNQCFTKRQYPETKII KTDGKGWGLVAKRDIRKGEF VNEYVGELIDEEECMARIKH AHENDITHFYMLTIDKDRII DAGPKGNYSRFMNHSCQPNC ETLKWTVNGDTRVGLFAVCD IPAGTELTFNYNLDCLGNEK TVCRCGASNCSGFLG ; _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 215 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment SET _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24308.6269 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 26759 1 2 . SER . 26759 1 3 . TYR . 26759 1 4 . LYS . 26759 1 5 . HIS . 26759 1 6 . ILE . 26759 1 7 . LYS . 26759 1 8 . VAL . 26759 1 9 . ASN . 26759 1 10 . LYS . 26759 1 11 . PRO . 26759 1 12 . TYR . 26759 1 13 . GLY . 26759 1 14 . LYS . 26759 1 15 . VAL . 26759 1 16 . GLN . 26759 1 17 . ILE . 26759 1 18 . TYR . 26759 1 19 . THR . 26759 1 20 . ALA . 26759 1 21 . ASP . 26759 1 22 . ILE . 26759 1 23 . SER . 26759 1 24 . GLU . 26759 1 25 . ILE . 26759 1 26 . PRO . 26759 1 27 . LYS . 26759 1 28 . CYS . 26759 1 29 . ASN . 26759 1 30 . CYS . 26759 1 31 . LYS . 26759 1 32 . PRO . 26759 1 33 . THR . 26759 1 34 . ASP . 26759 1 35 . GLU . 26759 1 36 . ASN . 26759 1 37 . PRO . 26759 1 38 . CYS . 26759 1 39 . GLY . 26759 1 40 . PHE . 26759 1 41 . ASP . 26759 1 42 . SER . 26759 1 43 . GLU . 26759 1 44 . CYS . 26759 1 45 . LEU . 26759 1 46 . ASN . 26759 1 47 . ARG . 26759 1 48 . MET . 26759 1 49 . LEU . 26759 1 50 . MET . 26759 1 51 . PHE . 26759 1 52 . GLU . 26759 1 53 . CYS . 26759 1 54 . HIS . 26759 1 55 . PRO . 26759 1 56 . GLN . 26759 1 57 . VAL . 26759 1 58 . CYS . 26759 1 59 . PRO . 26759 1 60 . ALA . 26759 1 61 . GLY . 26759 1 62 . GLU . 26759 1 63 . PHE . 26759 1 64 . CYS . 26759 1 65 . GLN . 26759 1 66 . ASN . 26759 1 67 . GLN . 26759 1 68 . CYS . 26759 1 69 . PHE . 26759 1 70 . THR . 26759 1 71 . LYS . 26759 1 72 . ARG . 26759 1 73 . GLN . 26759 1 74 . TYR . 26759 1 75 . PRO . 26759 1 76 . GLU . 26759 1 77 . THR . 26759 1 78 . LYS . 26759 1 79 . ILE . 26759 1 80 . ILE . 26759 1 81 . LYS . 26759 1 82 . THR . 26759 1 83 . ASP . 26759 1 84 . GLY . 26759 1 85 . LYS . 26759 1 86 . GLY . 26759 1 87 . TRP . 26759 1 88 . GLY . 26759 1 89 . LEU . 26759 1 90 . VAL . 26759 1 91 . ALA . 26759 1 92 . LYS . 26759 1 93 . ARG . 26759 1 94 . ASP . 26759 1 95 . ILE . 26759 1 96 . ARG . 26759 1 97 . LYS . 26759 1 98 . GLY . 26759 1 99 . GLU . 26759 1 100 . PHE . 26759 1 101 . VAL . 26759 1 102 . ASN . 26759 1 103 . GLU . 26759 1 104 . TYR . 26759 1 105 . VAL . 26759 1 106 . GLY . 26759 1 107 . GLU . 26759 1 108 . LEU . 26759 1 109 . ILE . 26759 1 110 . ASP . 26759 1 111 . GLU . 26759 1 112 . GLU . 26759 1 113 . GLU . 26759 1 114 . CYS . 26759 1 115 . MET . 26759 1 116 . ALA . 26759 1 117 . ARG . 26759 1 118 . ILE . 26759 1 119 . LYS . 26759 1 120 . HIS . 26759 1 121 . ALA . 26759 1 122 . HIS . 26759 1 123 . GLU . 26759 1 124 . ASN . 26759 1 125 . ASP . 26759 1 126 . ILE . 26759 1 127 . THR . 26759 1 128 . HIS . 26759 1 129 . PHE . 26759 1 130 . TYR . 26759 1 131 . MET . 26759 1 132 . LEU . 26759 1 133 . THR . 26759 1 134 . ILE . 26759 1 135 . ASP . 26759 1 136 . LYS . 26759 1 137 . ASP . 26759 1 138 . ARG . 26759 1 139 . ILE . 26759 1 140 . ILE . 26759 1 141 . ASP . 26759 1 142 . ALA . 26759 1 143 . GLY . 26759 1 144 . PRO . 26759 1 145 . LYS . 26759 1 146 . GLY . 26759 1 147 . ASN . 26759 1 148 . TYR . 26759 1 149 . SER . 26759 1 150 . ARG . 26759 1 151 . PHE . 26759 1 152 . MET . 26759 1 153 . ASN . 26759 1 154 . HIS . 26759 1 155 . SER . 26759 1 156 . CYS . 26759 1 157 . GLN . 26759 1 158 . PRO . 26759 1 159 . ASN . 26759 1 160 . CYS . 26759 1 161 . GLU . 26759 1 162 . THR . 26759 1 163 . LEU . 26759 1 164 . LYS . 26759 1 165 . TRP . 26759 1 166 . THR . 26759 1 167 . VAL . 26759 1 168 . ASN . 26759 1 169 . GLY . 26759 1 170 . ASP . 26759 1 171 . THR . 26759 1 172 . ARG . 26759 1 173 . VAL . 26759 1 174 . GLY . 26759 1 175 . LEU . 26759 1 176 . PHE . 26759 1 177 . ALA . 26759 1 178 . VAL . 26759 1 179 . CYS . 26759 1 180 . ASP . 26759 1 181 . ILE . 26759 1 182 . PRO . 26759 1 183 . ALA . 26759 1 184 . GLY . 26759 1 185 . THR . 26759 1 186 . GLU . 26759 1 187 . LEU . 26759 1 188 . THR . 26759 1 189 . PHE . 26759 1 190 . ASN . 26759 1 191 . TYR . 26759 1 192 . ASN . 26759 1 193 . LEU . 26759 1 194 . ASP . 26759 1 195 . CYS . 26759 1 196 . LEU . 26759 1 197 . GLY . 26759 1 198 . ASN . 26759 1 199 . GLU . 26759 1 200 . LYS . 26759 1 201 . THR . 26759 1 202 . VAL . 26759 1 203 . CYS . 26759 1 204 . ARG . 26759 1 205 . CYS . 26759 1 206 . GLY . 26759 1 207 . ALA . 26759 1 208 . SER . 26759 1 209 . ASN . 26759 1 210 . CYS . 26759 1 211 . SER . 26759 1 212 . GLY . 26759 1 213 . PHE . 26759 1 214 . LEU . 26759 1 215 . GLY . 26759 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 26759 1 . SER 2 2 26759 1 . TYR 3 3 26759 1 . LYS 4 4 26759 1 . HIS 5 5 26759 1 . ILE 6 6 26759 1 . LYS 7 7 26759 1 . VAL 8 8 26759 1 . ASN 9 9 26759 1 . LYS 10 10 26759 1 . PRO 11 11 26759 1 . TYR 12 12 26759 1 . GLY 13 13 26759 1 . LYS 14 14 26759 1 . VAL 15 15 26759 1 . GLN 16 16 26759 1 . ILE 17 17 26759 1 . TYR 18 18 26759 1 . THR 19 19 26759 1 . ALA 20 20 26759 1 . ASP 21 21 26759 1 . ILE 22 22 26759 1 . SER 23 23 26759 1 . GLU 24 24 26759 1 . ILE 25 25 26759 1 . PRO 26 26 26759 1 . LYS 27 27 26759 1 . CYS 28 28 26759 1 . ASN 29 29 26759 1 . CYS 30 30 26759 1 . LYS 31 31 26759 1 . PRO 32 32 26759 1 . THR 33 33 26759 1 . ASP 34 34 26759 1 . GLU 35 35 26759 1 . ASN 36 36 26759 1 . PRO 37 37 26759 1 . CYS 38 38 26759 1 . GLY 39 39 26759 1 . PHE 40 40 26759 1 . ASP 41 41 26759 1 . SER 42 42 26759 1 . GLU 43 43 26759 1 . CYS 44 44 26759 1 . LEU 45 45 26759 1 . ASN 46 46 26759 1 . ARG 47 47 26759 1 . MET 48 48 26759 1 . LEU 49 49 26759 1 . MET 50 50 26759 1 . PHE 51 51 26759 1 . GLU 52 52 26759 1 . CYS 53 53 26759 1 . HIS 54 54 26759 1 . PRO 55 55 26759 1 . GLN 56 56 26759 1 . VAL 57 57 26759 1 . CYS 58 58 26759 1 . PRO 59 59 26759 1 . ALA 60 60 26759 1 . GLY 61 61 26759 1 . GLU 62 62 26759 1 . PHE 63 63 26759 1 . CYS 64 64 26759 1 . GLN 65 65 26759 1 . ASN 66 66 26759 1 . GLN 67 67 26759 1 . CYS 68 68 26759 1 . PHE 69 69 26759 1 . THR 70 70 26759 1 . LYS 71 71 26759 1 . ARG 72 72 26759 1 . GLN 73 73 26759 1 . TYR 74 74 26759 1 . PRO 75 75 26759 1 . GLU 76 76 26759 1 . THR 77 77 26759 1 . LYS 78 78 26759 1 . ILE 79 79 26759 1 . ILE 80 80 26759 1 . LYS 81 81 26759 1 . THR 82 82 26759 1 . ASP 83 83 26759 1 . GLY 84 84 26759 1 . LYS 85 85 26759 1 . GLY 86 86 26759 1 . TRP 87 87 26759 1 . GLY 88 88 26759 1 . LEU 89 89 26759 1 . VAL 90 90 26759 1 . ALA 91 91 26759 1 . LYS 92 92 26759 1 . ARG 93 93 26759 1 . ASP 94 94 26759 1 . ILE 95 95 26759 1 . ARG 96 96 26759 1 . LYS 97 97 26759 1 . GLY 98 98 26759 1 . GLU 99 99 26759 1 . PHE 100 100 26759 1 . VAL 101 101 26759 1 . ASN 102 102 26759 1 . GLU 103 103 26759 1 . TYR 104 104 26759 1 . VAL 105 105 26759 1 . GLY 106 106 26759 1 . GLU 107 107 26759 1 . LEU 108 108 26759 1 . ILE 109 109 26759 1 . ASP 110 110 26759 1 . GLU 111 111 26759 1 . GLU 112 112 26759 1 . GLU 113 113 26759 1 . CYS 114 114 26759 1 . MET 115 115 26759 1 . ALA 116 116 26759 1 . ARG 117 117 26759 1 . ILE 118 118 26759 1 . LYS 119 119 26759 1 . HIS 120 120 26759 1 . ALA 121 121 26759 1 . HIS 122 122 26759 1 . GLU 123 123 26759 1 . ASN 124 124 26759 1 . ASP 125 125 26759 1 . ILE 126 126 26759 1 . THR 127 127 26759 1 . HIS 128 128 26759 1 . PHE 129 129 26759 1 . TYR 130 130 26759 1 . MET 131 131 26759 1 . LEU 132 132 26759 1 . THR 133 133 26759 1 . ILE 134 134 26759 1 . ASP 135 135 26759 1 . LYS 136 136 26759 1 . ASP 137 137 26759 1 . ARG 138 138 26759 1 . ILE 139 139 26759 1 . ILE 140 140 26759 1 . ASP 141 141 26759 1 . ALA 142 142 26759 1 . GLY 143 143 26759 1 . PRO 144 144 26759 1 . LYS 145 145 26759 1 . GLY 146 146 26759 1 . ASN 147 147 26759 1 . TYR 148 148 26759 1 . SER 149 149 26759 1 . ARG 150 150 26759 1 . PHE 151 151 26759 1 . MET 152 152 26759 1 . ASN 153 153 26759 1 . HIS 154 154 26759 1 . SER 155 155 26759 1 . CYS 156 156 26759 1 . GLN 157 157 26759 1 . PRO 158 158 26759 1 . ASN 159 159 26759 1 . CYS 160 160 26759 1 . GLU 161 161 26759 1 . THR 162 162 26759 1 . LEU 163 163 26759 1 . LYS 164 164 26759 1 . TRP 165 165 26759 1 . THR 166 166 26759 1 . VAL 167 167 26759 1 . ASN 168 168 26759 1 . GLY 169 169 26759 1 . ASP 170 170 26759 1 . THR 171 171 26759 1 . ARG 172 172 26759 1 . VAL 173 173 26759 1 . GLY 174 174 26759 1 . LEU 175 175 26759 1 . PHE 176 176 26759 1 . ALA 177 177 26759 1 . VAL 178 178 26759 1 . CYS 179 179 26759 1 . ASP 180 180 26759 1 . ILE 181 181 26759 1 . PRO 182 182 26759 1 . ALA 183 183 26759 1 . GLY 184 184 26759 1 . THR 185 185 26759 1 . GLU 186 186 26759 1 . LEU 187 187 26759 1 . THR 188 188 26759 1 . PHE 189 189 26759 1 . ASN 190 190 26759 1 . TYR 191 191 26759 1 . ASN 192 192 26759 1 . LEU 193 193 26759 1 . ASP 194 194 26759 1 . CYS 195 195 26759 1 . LEU 196 196 26759 1 . GLY 197 197 26759 1 . ASN 198 198 26759 1 . GLU 199 199 26759 1 . LYS 200 200 26759 1 . THR 201 201 26759 1 . VAL 202 202 26759 1 . CYS 203 203 26759 1 . ARG 204 204 26759 1 . CYS 205 205 26759 1 . GLY 206 206 26759 1 . ALA 207 207 26759 1 . SER 208 208 26759 1 . ASN 209 209 26759 1 . CYS 210 210 26759 1 . SER 211 211 26759 1 . GLY 212 212 26759 1 . PHE 213 213 26759 1 . LEU 214 214 26759 1 . GLY 215 215 26759 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 26759 _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 $NSD2_C16 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . WHSC1 . 26759 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 26759 _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 $NSD2_C16 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli 'BL21 (DE3) Gold' . . . . . pET28a . . . 26759 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26759 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NSD2_C16 '[U-13C; U-15N; U-2H]' . . 1 $NSD2_C16 . . 0.6 . . mM . . . . 26759 1 2 SAM 'natural abundance' . . . . . . 1.2 . . mM . . . . 26759 1 3 NaCl 'natural abundance' . . . . . . 100.0 . . mM . . . . 26759 1 4 TCEP 'natural abundance' . . . . . . 1.0 . . mM . . . . 26759 1 5 NaN3 'natural abundance' . . . . . . 1.0 . . % . . . . 26759 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 26759 _Sample_condition_list.ID 1 _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' 0.140 . M 26759 1 pH 7.500 . pH 26759 1 pressure 1.000 . atm 26759 1 temperature 298.000 . K 26759 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 26759 _Software.ID 1 _Software.Name CcpNmr_Analysis _Software.Version 2.1 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 26759 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum display, Spectrum analysis' 26759 1 stop_ save_ save_Topspin _Software.Sf_category software _Software.Sf_framecode Topspin _Software.Entry_ID 26759 _Software.ID 2 _Software.Name Topspin _Software.Version 3.2.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26759 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum acquisition' 26759 2 'Spectrum display' 26759 2 stop_ save_ save_nmrDraw _Software.Sf_category software _Software.Sf_framecode nmrDraw _Software.Entry_ID 26759 _Software.ID 3 _Software.Name nmrDraw _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26759 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum analysis' 26759 3 'Spectrum display' 26759 3 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 26759 _Software.ID 4 _Software.Name nmrPipe _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26759 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum processing' 26759 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26759 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number III _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26759 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance III 800 . . . 26759 1 stop_ save_ save_cold_probe _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode cold_probe _NMR_spectrometer_probe.Entry_ID 26759 _NMR_spectrometer_probe.ID 1 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer Bruker _NMR_spectrometer_probe.Model TCI _NMR_spectrometer_probe.Serial_number . _NMR_spectrometer_probe.Diameter . _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 26759 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 26759 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 1 $cold_probe . . . . . . . . . . . . . . 26759 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 1 $cold_probe . . . . . . . . . . . . . . 26759 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 1 $cold_probe . . . . . . . . . . . . . . 26759 1 4 'HNCOCACB (H[N[co[{CA|ca[C]}]]])' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 1 $cold_probe . . . . . . . . . . . . . . 26759 1 5 'HNCOCA (H[N[co[{CA|ca[C]}]]])' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 1 $cold_probe . . . . . . . . . . . . . . 26759 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 1 $cold_probe . . . . . . . . . . . . . . 26759 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 1 $cold_probe . . . . . . . . . . . . . . 26759 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 26759 _Chem_shift_reference.ID 1 _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 . . . . . 26759 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . 26759 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26759 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 26759 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC/HMQC' 1 $sample_1 isotropic 26759 1 2 '3D HNCA' 1 $sample_1 isotropic 26759 1 3 '3D HNCACB' 1 $sample_1 isotropic 26759 1 4 'HNCOCACB (H[N[co[{CA|ca[C]}]]])' 1 $sample_1 isotropic 26759 1 5 'HNCOCA (H[N[co[{CA|ca[C]}]]])' 1 $sample_1 isotropic 26759 1 6 '3D HNCO' 1 $sample_1 isotropic 26759 1 7 '3D 1H-15N NOESY' 1 $sample_1 isotropic 26759 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 $CcpNmr_Analysis . . 26759 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 2 2 SER C C 13 173.356 0.115 . 1 . 1597 . . 2 SER C . 26759 1 2 . 1 1 2 2 SER CA C 13 57.982 0.014 . 1 . 1507 . . 2 SER CA . 26759 1 3 . 1 1 2 2 SER CB C 13 63.453 0.022 . 1 . 1457 . . 2 SER CB . 26759 1 4 . 1 1 3 3 TYR H H 1 7.956 0.002 . 1 . 470 . . 3 TYR H . 26759 1 5 . 1 1 3 3 TYR C C 13 172.760 0.115 . 1 . 1598 . . 3 TYR C . 26759 1 6 . 1 1 3 3 TYR CA C 13 55.564 0.014 . 1 . 1212 . . 3 TYR CA . 26759 1 7 . 1 1 3 3 TYR CB C 13 39.624 0.022 . 1 . 1211 . . 3 TYR CB . 26759 1 8 . 1 1 3 3 TYR N N 15 120.965 0.054 . 1 . 471 . . 3 TYR N . 26759 1 9 . 1 1 4 4 LYS H H 1 7.846 0.002 . 1 . 520 . . 4 LYS H . 26759 1 10 . 1 1 4 4 LYS C C 13 174.109 0.115 . 1 . 1599 . . 4 LYS C . 26759 1 11 . 1 1 4 4 LYS CA C 13 54.044 0.014 . 1 . 1208 . . 4 LYS CA . 26759 1 12 . 1 1 4 4 LYS CB C 13 32.300 0.022 . 1 . 1209 . . 4 LYS CB . 26759 1 13 . 1 1 4 4 LYS N N 15 122.461 0.054 . 1 . 521 . . 4 LYS N . 26759 1 14 . 1 1 5 5 HIS H H 1 8.400 0.002 . 1 . 658 . . 5 HIS H . 26759 1 15 . 1 1 5 5 HIS C C 13 176.583 0.115 . 1 . 1600 . . 5 HIS C . 26759 1 16 . 1 1 5 5 HIS CA C 13 55.870 0.014 . 1 . 1207 . . 5 HIS CA . 26759 1 17 . 1 1 5 5 HIS CB C 13 30.396 0.022 . 1 . 1206 . . 5 HIS CB . 26759 1 18 . 1 1 5 5 HIS N N 15 129.630 0.054 . 1 . 659 . . 5 HIS N . 26759 1 19 . 1 1 6 6 ILE H H 1 8.108 0.002 . 1 . 524 . . 6 ILE H . 26759 1 20 . 1 1 6 6 ILE C C 13 174.006 0.115 . 1 . 1601 . . 6 ILE C . 26759 1 21 . 1 1 6 6 ILE CA C 13 59.380 0.014 . 1 . 1389 . . 6 ILE CA . 26759 1 22 . 1 1 6 6 ILE CB C 13 40.802 0.022 . 1 . 1272 . . 6 ILE CB . 26759 1 23 . 1 1 6 6 ILE N N 15 124.349 0.054 . 1 . 525 . . 6 ILE N . 26759 1 24 . 1 1 7 7 LYS H H 1 8.445 0.002 . 1 . 642 . . 7 LYS H . 26759 1 25 . 1 1 7 7 LYS C C 13 177.815 0.115 . 1 . 1602 . . 7 LYS C . 26759 1 26 . 1 1 7 7 LYS CA C 13 56.650 0.014 . 1 . 1350 . . 7 LYS CA . 26759 1 27 . 1 1 7 7 LYS CB C 13 34.366 0.022 . 1 . 1255 . . 7 LYS CB . 26759 1 28 . 1 1 7 7 LYS N N 15 115.448 0.054 . 1 . 643 . . 7 LYS N . 26759 1 29 . 1 1 8 8 VAL H H 1 7.193 0.002 . 1 . 880 . . 8 VAL H . 26759 1 30 . 1 1 8 8 VAL C C 13 173.443 0.115 . 1 . 1603 . . 8 VAL C . 26759 1 31 . 1 1 8 8 VAL CA C 13 58.030 0.014 . 1 . 1357 . . 8 VAL CA . 26759 1 32 . 1 1 8 8 VAL CB C 13 35.244 0.022 . 1 . 1276 . . 8 VAL CB . 26759 1 33 . 1 1 8 8 VAL N N 15 113.734 0.054 . 1 . 881 . . 8 VAL N . 26759 1 34 . 1 1 9 9 ASN H H 1 8.699 0.002 . 1 . 802 . . 9 ASN H . 26759 1 35 . 1 1 9 9 ASN C C 13 175.940 0.115 . 1 . 1629 . . 9 ASN C . 26759 1 36 . 1 1 9 9 ASN CA C 13 53.768 0.014 . 1 . 1416 . . 9 ASN CA . 26759 1 37 . 1 1 9 9 ASN CB C 13 38.399 0.022 . 1 . 1266 . . 9 ASN CB . 26759 1 38 . 1 1 9 9 ASN N N 15 119.483 0.054 . 1 . 803 . . 9 ASN N . 26759 1 39 . 1 1 10 10 LYS H H 1 7.979 0.002 . 1 . 1625 . . 10 LYS H . 26759 1 40 . 1 1 10 10 LYS CA C 13 55.277 0.014 . 1 . 1627 . . 10 LYS CA . 26759 1 41 . 1 1 10 10 LYS CB C 13 33.703 0.022 . 1 . 1820 . . 10 LYS CB . 26759 1 42 . 1 1 10 10 LYS N N 15 120.502 0.054 . 1 . 1626 . . 10 LYS N . 26759 1 43 . 1 1 11 11 PRO C C 13 174.987 0.115 . 1 . 1604 . . 11 PRO C . 26759 1 44 . 1 1 11 11 PRO CA C 13 63.331 0.014 . 1 . 1203 . . 11 PRO CA . 26759 1 45 . 1 1 11 11 PRO CB C 13 31.528 0.022 . 1 . 1205 . . 11 PRO CB . 26759 1 46 . 1 1 12 12 TYR H H 1 8.937 0.002 . 1 . 576 . . 12 TYR H . 26759 1 47 . 1 1 12 12 TYR C C 13 176.688 0.115 . 1 . 1606 . . 12 TYR C . 26759 1 48 . 1 1 12 12 TYR CA C 13 56.983 0.014 . 1 . 1200 . . 12 TYR CA . 26759 1 49 . 1 1 12 12 TYR CB C 13 41.597 0.022 . 1 . 1201 . . 12 TYR CB . 26759 1 50 . 1 1 12 12 TYR N N 15 126.865 0.054 . 1 . 577 . . 12 TYR N . 26759 1 51 . 1 1 13 13 GLY H H 1 8.112 0.002 . 1 . 684 . . 13 GLY H . 26759 1 52 . 1 1 13 13 GLY C C 13 175.811 0.115 . 1 . 1607 . . 13 GLY C . 26759 1 53 . 1 1 13 13 GLY CA C 13 45.722 0.014 . 1 . 1197 . . 13 GLY CA . 26759 1 54 . 1 1 13 13 GLY N N 15 117.039 0.054 . 1 . 685 . . 13 GLY N . 26759 1 55 . 1 1 14 14 LYS H H 1 9.165 0.002 . 1 . 634 . . 14 LYS H . 26759 1 56 . 1 1 14 14 LYS C C 13 176.771 0.115 . 1 . 1608 . . 14 LYS C . 26759 1 57 . 1 1 14 14 LYS CA C 13 56.041 0.014 . 1 . 1194 . . 14 LYS CA . 26759 1 58 . 1 1 14 14 LYS CB C 13 31.427 0.022 . 1 . 1198 . . 14 LYS CB . 26759 1 59 . 1 1 14 14 LYS N N 15 126.482 0.054 . 1 . 635 . . 14 LYS N . 26759 1 60 . 1 1 15 15 VAL H H 1 7.312 0.002 . 1 . 572 . . 15 VAL H . 26759 1 61 . 1 1 15 15 VAL C C 13 174.395 0.115 . 1 . 1616 . . 15 VAL C . 26759 1 62 . 1 1 15 15 VAL CA C 13 63.290 0.014 . 1 . 1191 . . 15 VAL CA . 26759 1 63 . 1 1 15 15 VAL CB C 13 31.261 0.022 . 1 . 1192 . . 15 VAL CB . 26759 1 64 . 1 1 15 15 VAL N N 15 121.788 0.054 . 1 . 573 . . 15 VAL N . 26759 1 65 . 1 1 16 16 GLN H H 1 8.292 0.002 . 1 . 737 . . 16 GLN H . 26759 1 66 . 1 1 16 16 GLN C C 13 174.730 0.115 . 1 . 1617 . . 16 GLN C . 26759 1 67 . 1 1 16 16 GLN CA C 13 53.925 0.014 . 1 . 1189 . . 16 GLN CA . 26759 1 68 . 1 1 16 16 GLN CB C 13 31.176 0.022 . 1 . 1188 . . 16 GLN CB . 26759 1 69 . 1 1 16 16 GLN N N 15 124.346 0.054 . 1 . 738 . . 16 GLN N . 26759 1 70 . 1 1 17 17 ILE H H 1 8.009 0.002 . 1 . 504 . . 17 ILE H . 26759 1 71 . 1 1 17 17 ILE C C 13 175.625 0.115 . 1 . 1618 . . 17 ILE C . 26759 1 72 . 1 1 17 17 ILE CA C 13 59.804 0.014 . 1 . 1185 . . 17 ILE CA . 26759 1 73 . 1 1 17 17 ILE CB C 13 39.253 0.022 . 1 . 1186 . . 17 ILE CB . 26759 1 74 . 1 1 17 17 ILE N N 15 119.887 0.054 . 1 . 505 . . 17 ILE N . 26759 1 75 . 1 1 18 18 TYR H H 1 8.723 0.002 . 1 . 872 . . 18 TYR H . 26759 1 76 . 1 1 18 18 TYR C C 13 174.518 0.115 . 1 . 1619 . . 18 TYR C . 26759 1 77 . 1 1 18 18 TYR CA C 13 57.280 0.014 . 1 . 1182 . . 18 TYR CA . 26759 1 78 . 1 1 18 18 TYR CB C 13 38.965 0.022 . 1 . 1183 . . 18 TYR CB . 26759 1 79 . 1 1 18 18 TYR N N 15 128.784 0.054 . 1 . 873 . . 18 TYR N . 26759 1 80 . 1 1 19 19 THR H H 1 7.939 0.002 . 1 . 498 . . 19 THR H . 26759 1 81 . 1 1 19 19 THR C C 13 173.310 0.115 . 1 . 1620 . . 19 THR C . 26759 1 82 . 1 1 19 19 THR CA C 13 60.234 0.014 . 1 . 1179 . . 19 THR CA . 26759 1 83 . 1 1 19 19 THR CB C 13 70.154 0.022 . 1 . 1180 . . 19 THR CB . 26759 1 84 . 1 1 19 19 THR N N 15 116.871 0.054 . 1 . 499 . . 19 THR N . 26759 1 85 . 1 1 20 20 ALA H H 1 7.543 0.002 . 1 . 484 . . 20 ALA H . 26759 1 86 . 1 1 20 20 ALA C C 13 177.574 0.115 . 1 . 1621 . . 20 ALA C . 26759 1 87 . 1 1 20 20 ALA CA C 13 50.821 0.014 . 1 . 1176 . . 20 ALA CA . 26759 1 88 . 1 1 20 20 ALA CB C 13 19.145 0.022 . 1 . 1177 . . 20 ALA CB . 26759 1 89 . 1 1 20 20 ALA N N 15 126.481 0.054 . 1 . 485 . . 20 ALA N . 26759 1 90 . 1 1 21 21 ASP H H 1 8.426 0.002 . 1 . 788 . . 21 ASP H . 26759 1 91 . 1 1 21 21 ASP C C 13 177.677 0.115 . 1 . 1622 . . 21 ASP C . 26759 1 92 . 1 1 21 21 ASP CA C 13 53.627 0.014 . 1 . 1173 . . 21 ASP CA . 26759 1 93 . 1 1 21 21 ASP CB C 13 42.690 0.022 . 1 . 1174 . . 21 ASP CB . 26759 1 94 . 1 1 21 21 ASP N N 15 122.034 0.054 . 1 . 789 . . 21 ASP N . 26759 1 95 . 1 1 22 22 ILE H H 1 8.269 0.002 . 1 . 546 . . 22 ILE H . 26759 1 96 . 1 1 22 22 ILE C C 13 177.219 0.115 . 1 . 1623 . . 22 ILE C . 26759 1 97 . 1 1 22 22 ILE CA C 13 63.662 0.014 . 1 . 1170 . . 22 ILE CA . 26759 1 98 . 1 1 22 22 ILE CB C 13 36.689 0.022 . 1 . 1171 . . 22 ILE CB . 26759 1 99 . 1 1 22 22 ILE N N 15 123.719 0.054 . 1 . 547 . . 22 ILE N . 26759 1 100 . 1 1 23 23 SER H H 1 8.192 0.002 . 1 . 906 . . 23 SER H . 26759 1 101 . 1 1 23 23 SER C C 13 175.371 0.115 . 1 . 1624 . . 23 SER C . 26759 1 102 . 1 1 23 23 SER CA C 13 60.091 0.014 . 1 . 1168 . . 23 SER CA . 26759 1 103 . 1 1 23 23 SER CB C 13 62.576 0.022 . 1 . 1167 . . 23 SER CB . 26759 1 104 . 1 1 23 23 SER N N 15 115.277 0.054 . 1 . 907 . . 23 SER N . 26759 1 105 . 1 1 24 24 GLU H H 1 7.976 0.002 . 1 . 646 . . 24 GLU H . 26759 1 106 . 1 1 24 24 GLU C C 13 176.620 0.115 . 1 . 1630 . . 24 GLU C . 26759 1 107 . 1 1 24 24 GLU CA C 13 55.241 0.014 . 1 . 1162 . . 24 GLU CA . 26759 1 108 . 1 1 24 24 GLU CB C 13 30.037 0.022 . 1 . 1164 . . 24 GLU CB . 26759 1 109 . 1 1 24 24 GLU N N 15 120.579 0.054 . 1 . 647 . . 24 GLU N . 26759 1 110 . 1 1 25 25 ILE H H 1 7.217 0.002 . 1 . 723 . . 25 ILE H . 26759 1 111 . 1 1 25 25 ILE CA C 13 58.340 0.014 . 1 . 1161 . . 25 ILE CA . 26759 1 112 . 1 1 25 25 ILE CB C 13 37.501 0.022 . 1 . 1163 . . 25 ILE CB . 26759 1 113 . 1 1 25 25 ILE N N 15 125.079 0.054 . 1 . 724 . . 25 ILE N . 26759 1 114 . 1 1 26 26 PRO C C 13 175.041 0.115 . 1 . 1631 . . 26 PRO C . 26759 1 115 . 1 1 26 26 PRO CA C 13 62.888 0.014 . 1 . 1566 . . 26 PRO CA . 26759 1 116 . 1 1 26 26 PRO CB C 13 30.780 0.022 . 1 . 1460 . . 26 PRO CB . 26759 1 117 . 1 1 27 27 LYS H H 1 8.249 0.002 . 1 . 626 . . 27 LYS H . 26759 1 118 . 1 1 27 27 LYS C C 13 176.462 0.115 . 1 . 1632 . . 27 LYS C . 26759 1 119 . 1 1 27 27 LYS CA C 13 54.140 0.014 . 1 . 1373 . . 27 LYS CA . 26759 1 120 . 1 1 27 27 LYS CB C 13 34.724 0.022 . 1 . 1317 . . 27 LYS CB . 26759 1 121 . 1 1 27 27 LYS N N 15 123.058 0.054 . 1 . 627 . . 27 LYS N . 26759 1 122 . 1 1 28 28 CYS H H 1 8.647 0.002 . 1 . 586 . . 28 CYS H . 26759 1 123 . 1 1 28 28 CYS C C 13 172.207 0.115 . 1 . 1633 . . 28 CYS C . 26759 1 124 . 1 1 28 28 CYS CA C 13 57.249 0.014 . 1 . 1383 . . 28 CYS CA . 26759 1 125 . 1 1 28 28 CYS CB C 13 30.327 0.022 . 1 . 1283 . . 28 CYS CB . 26759 1 126 . 1 1 28 28 CYS N N 15 126.377 0.054 . 1 . 587 . . 28 CYS N . 26759 1 127 . 1 1 29 29 ASN H H 1 8.424 0.002 . 1 . 608 . . 29 ASN H . 26759 1 128 . 1 1 29 29 ASN C C 13 176.223 0.115 . 1 . 1634 . . 29 ASN C . 26759 1 129 . 1 1 29 29 ASN CA C 13 51.602 0.014 . 1 . 1363 . . 29 ASN CA . 26759 1 130 . 1 1 29 29 ASN CB C 13 39.573 0.022 . 1 . 1293 . . 29 ASN CB . 26759 1 131 . 1 1 29 29 ASN N N 15 113.504 0.054 . 1 . 609 . . 29 ASN N . 26759 1 132 . 1 1 30 30 CYS H H 1 9.382 0.002 . 1 . 900 . . 30 CYS H . 26759 1 133 . 1 1 30 30 CYS C C 13 173.777 0.115 . 1 . 1635 . . 30 CYS C . 26759 1 134 . 1 1 30 30 CYS CA C 13 61.782 0.014 . 1 . 1374 . . 30 CYS CA . 26759 1 135 . 1 1 30 30 CYS CB C 13 30.235 0.022 . 1 . 1229 . . 30 CYS CB . 26759 1 136 . 1 1 30 30 CYS N N 15 126.814 0.054 . 1 . 901 . . 30 CYS N . 26759 1 137 . 1 1 31 31 LYS H H 1 8.061 0.002 . 1 . 773 . . 31 LYS H . 26759 1 138 . 1 1 31 31 LYS CA C 13 52.348 0.014 . 1 . 1404 . . 31 LYS CA . 26759 1 139 . 1 1 31 31 LYS CB C 13 33.081 0.022 . 1 . 1291 . . 31 LYS CB . 26759 1 140 . 1 1 31 31 LYS N N 15 118.194 0.054 . 1 . 774 . . 31 LYS N . 26759 1 141 . 1 1 32 32 PRO C C 13 175.491 0.115 . 1 . 1636 . . 32 PRO C . 26759 1 142 . 1 1 32 32 PRO CA C 13 64.142 0.014 . 1 . 1158 . . 32 PRO CA . 26759 1 143 . 1 1 32 32 PRO CB C 13 31.459 0.022 . 1 . 1160 . . 32 PRO CB . 26759 1 144 . 1 1 33 33 THR H H 1 6.458 0.002 . 1 . 692 . . 33 THR H . 26759 1 145 . 1 1 33 33 THR C C 13 175.380 0.115 . 1 . 1637 . . 33 THR C . 26759 1 146 . 1 1 33 33 THR CA C 13 60.040 0.014 . 1 . 1155 . . 33 THR CA . 26759 1 147 . 1 1 33 33 THR CB C 13 68.387 0.022 . 1 . 1156 . . 33 THR CB . 26759 1 148 . 1 1 33 33 THR N N 15 101.764 0.054 . 1 . 693 . . 33 THR N . 26759 1 149 . 1 1 34 34 ASP H H 1 7.285 0.002 . 1 . 856 . . 34 ASP H . 26759 1 150 . 1 1 34 34 ASP C C 13 175.227 0.115 . 1 . 1638 . . 34 ASP C . 26759 1 151 . 1 1 34 34 ASP CA C 13 54.352 0.014 . 1 . 1151 . . 34 ASP CA . 26759 1 152 . 1 1 34 34 ASP CB C 13 40.002 0.022 . 1 . 1152 . . 34 ASP CB . 26759 1 153 . 1 1 34 34 ASP N N 15 123.994 0.054 . 1 . 857 . . 34 ASP N . 26759 1 154 . 1 1 35 35 GLU H H 1 8.614 0.002 . 1 . 832 . . 35 GLU H . 26759 1 155 . 1 1 35 35 GLU C C 13 177.074 0.115 . 1 . 1639 . . 35 GLU C . 26759 1 156 . 1 1 35 35 GLU CA C 13 58.563 0.014 . 1 . 1146 . . 35 GLU CA . 26759 1 157 . 1 1 35 35 GLU CB C 13 28.985 0.022 . 1 . 1149 . . 35 GLU CB . 26759 1 158 . 1 1 35 35 GLU N N 15 120.811 0.054 . 1 . 833 . . 35 GLU N . 26759 1 159 . 1 1 36 36 ASN H H 1 8.540 0.002 . 1 . 580 . . 36 ASN H . 26759 1 160 . 1 1 36 36 ASN CA C 13 51.549 0.014 . 1 . 1145 . . 36 ASN CA . 26759 1 161 . 1 1 36 36 ASN CB C 13 38.879 0.022 . 1 . 1147 . . 36 ASN CB . 26759 1 162 . 1 1 36 36 ASN N N 15 117.261 0.054 . 1 . 581 . . 36 ASN N . 26759 1 163 . 1 1 37 37 PRO C C 13 177.170 0.115 . 1 . 1640 . . 37 PRO C . 26759 1 164 . 1 1 37 37 PRO CA C 13 63.439 0.014 . 1 . 1580 . . 37 PRO CA . 26759 1 165 . 1 1 37 37 PRO CB C 13 30.714 0.022 . 1 . 1434 . . 37 PRO CB . 26759 1 166 . 1 1 38 38 CYS H H 1 8.329 0.002 . 1 . 596 . . 38 CYS H . 26759 1 167 . 1 1 38 38 CYS C C 13 176.339 0.115 . 1 . 1641 . . 38 CYS C . 26759 1 168 . 1 1 38 38 CYS CA C 13 57.892 0.014 . 1 . 1344 . . 38 CYS CA . 26759 1 169 . 1 1 38 38 CYS CB C 13 31.660 0.022 . 1 . 1273 . . 38 CYS CB . 26759 1 170 . 1 1 38 38 CYS N N 15 119.290 0.054 . 1 . 597 . . 38 CYS N . 26759 1 171 . 1 1 39 39 GLY H H 1 8.450 0.002 . 1 . 769 . . 39 GLY H . 26759 1 172 . 1 1 39 39 GLY C C 13 176.402 0.115 . 1 . 1642 . . 39 GLY C . 26759 1 173 . 1 1 39 39 GLY CA C 13 44.514 0.014 . 1 . 1367 . . 39 GLY CA . 26759 1 174 . 1 1 39 39 GLY N N 15 105.829 0.054 . 1 . 770 . . 39 GLY N . 26759 1 175 . 1 1 40 40 PHE H H 1 8.814 0.002 . 1 . 1224 . . 40 PHE H . 26759 1 176 . 1 1 40 40 PHE C C 13 176.125 0.115 . 1 . 1643 . . 40 PHE C . 26759 1 177 . 1 1 40 40 PHE CA C 13 60.715 0.014 . 1 . 1414 . . 40 PHE CA . 26759 1 178 . 1 1 40 40 PHE CB C 13 38.327 0.022 . 1 . 1290 . . 40 PHE CB . 26759 1 179 . 1 1 40 40 PHE N N 15 121.370 0.054 . 1 . 1225 . . 40 PHE N . 26759 1 180 . 1 1 41 41 ASP H H 1 8.562 0.002 . 1 . 538 . . 41 ASP H . 26759 1 181 . 1 1 41 41 ASP C C 13 175.631 0.115 . 1 . 1644 . . 41 ASP C . 26759 1 182 . 1 1 41 41 ASP CA C 13 53.367 0.014 . 1 . 1143 . . 41 ASP CA . 26759 1 183 . 1 1 41 41 ASP CB C 13 39.602 0.022 . 1 . 1144 . . 41 ASP CB . 26759 1 184 . 1 1 41 41 ASP N N 15 119.203 0.054 . 1 . 539 . . 41 ASP N . 26759 1 185 . 1 1 42 42 SER H H 1 7.568 0.002 . 1 . 818 . . 42 SER H . 26759 1 186 . 1 1 42 42 SER C C 13 174.684 0.115 . 1 . 1645 . . 42 SER C . 26759 1 187 . 1 1 42 42 SER CA C 13 58.401 0.014 . 1 . 1140 . . 42 SER CA . 26759 1 188 . 1 1 42 42 SER CB C 13 65.678 0.022 . 1 . 1141 . . 42 SER CB . 26759 1 189 . 1 1 42 42 SER N N 15 116.066 0.054 . 1 . 819 . . 42 SER N . 26759 1 190 . 1 1 43 43 GLU H H 1 8.680 0.002 . 1 . 798 . . 43 GLU H . 26759 1 191 . 1 1 43 43 GLU C C 13 174.912 0.115 . 1 . 1646 . . 43 GLU C . 26759 1 192 . 1 1 43 43 GLU CA C 13 55.114 0.014 . 1 . 1138 . . 43 GLU CA . 26759 1 193 . 1 1 43 43 GLU CB C 13 27.528 0.022 . 1 . 1137 . . 43 GLU CB . 26759 1 194 . 1 1 43 43 GLU N N 15 120.122 0.054 . 1 . 799 . . 43 GLU N . 26759 1 195 . 1 1 44 44 CYS H H 1 7.411 0.002 . 1 . 606 . . 44 CYS H . 26759 1 196 . 1 1 44 44 CYS C C 13 177.854 0.115 . 1 . 1647 . . 44 CYS C . 26759 1 197 . 1 1 44 44 CYS CA C 13 60.201 0.014 . 1 . 1134 . . 44 CYS CA . 26759 1 198 . 1 1 44 44 CYS CB C 13 31.554 0.022 . 1 . 1133 . . 44 CYS CB . 26759 1 199 . 1 1 44 44 CYS N N 15 120.893 0.054 . 1 . 607 . . 44 CYS N . 26759 1 200 . 1 1 45 45 LEU H H 1 8.877 0.002 . 1 . 711 . . 45 LEU H . 26759 1 201 . 1 1 45 45 LEU C C 13 178.905 0.115 . 1 . 1648 . . 45 LEU C . 26759 1 202 . 1 1 45 45 LEU CA C 13 57.541 0.014 . 1 . 1131 . . 45 LEU CA . 26759 1 203 . 1 1 45 45 LEU CB C 13 42.492 0.022 . 1 . 1132 . . 45 LEU CB . 26759 1 204 . 1 1 45 45 LEU N N 15 132.214 0.054 . 1 . 712 . . 45 LEU N . 26759 1 205 . 1 1 46 46 ASN H H 1 8.366 0.002 . 1 . 480 . . 46 ASN H . 26759 1 206 . 1 1 46 46 ASN C C 13 178.029 0.115 . 1 . 1649 . . 46 ASN C . 26759 1 207 . 1 1 46 46 ASN CA C 13 55.145 0.014 . 1 . 1348 . . 46 ASN CA . 26759 1 208 . 1 1 46 46 ASN CB C 13 35.743 0.022 . 1 . 1300 . . 46 ASN CB . 26759 1 209 . 1 1 46 46 ASN N N 15 119.628 0.054 . 1 . 481 . . 46 ASN N . 26759 1 210 . 1 1 47 47 ARG H H 1 7.759 0.002 . 1 . 894 . . 47 ARG H . 26759 1 211 . 1 1 47 47 ARG C C 13 180.086 0.115 . 1 . 1650 . . 47 ARG C . 26759 1 212 . 1 1 47 47 ARG CA C 13 59.948 0.014 . 1 . 1409 . . 47 ARG CA . 26759 1 213 . 1 1 47 47 ARG CB C 13 29.453 0.022 . 1 . 1306 . . 47 ARG CB . 26759 1 214 . 1 1 47 47 ARG N N 15 123.650 0.054 . 1 . 895 . . 47 ARG N . 26759 1 215 . 1 1 48 48 MET H H 1 8.016 0.002 . 1 . 846 . . 48 MET H . 26759 1 216 . 1 1 48 48 MET C C 13 177.288 0.115 . 1 . 1651 . . 48 MET C . 26759 1 217 . 1 1 48 48 MET CA C 13 58.230 0.014 . 1 . 1130 . . 48 MET CA . 26759 1 218 . 1 1 48 48 MET CB C 13 31.871 0.022 . 1 . 1129 . . 48 MET CB . 26759 1 219 . 1 1 48 48 MET N N 15 118.015 0.054 . 1 . 847 . . 48 MET N . 26759 1 220 . 1 1 49 49 LEU H H 1 7.077 0.002 . 1 . 666 . . 49 LEU H . 26759 1 221 . 1 1 49 49 LEU C C 13 174.876 0.115 . 1 . 1652 . . 49 LEU C . 26759 1 222 . 1 1 49 49 LEU CA C 13 53.673 0.014 . 1 . 1126 . . 49 LEU CA . 26759 1 223 . 1 1 49 49 LEU CB C 13 41.226 0.022 . 1 . 1127 . . 49 LEU CB . 26759 1 224 . 1 1 49 49 LEU N N 15 118.337 0.054 . 1 . 667 . . 49 LEU N . 26759 1 225 . 1 1 50 50 MET H H 1 7.390 0.002 . 1 . 478 . . 50 MET H . 26759 1 226 . 1 1 50 50 MET C C 13 174.066 0.115 . 1 . 1792 . . 50 MET C . 26759 1 227 . 1 1 50 50 MET CA C 13 56.106 0.014 . 1 . 1125 . . 50 MET CA . 26759 1 228 . 1 1 50 50 MET CB C 13 26.755 0.022 . 1 . 1124 . . 50 MET CB . 26759 1 229 . 1 1 50 50 MET N N 15 114.828 0.054 . 1 . 479 . . 50 MET N . 26759 1 230 . 1 1 51 51 PHE H H 1 7.975 0.002 . 1 . 1672 . . 51 PHE H . 26759 1 231 . 1 1 51 51 PHE C C 13 175.780 0.115 . 1 . 1653 . . 51 PHE C . 26759 1 232 . 1 1 51 51 PHE CA C 13 55.157 0.014 . 1 . 1675 . . 51 PHE CA . 26759 1 233 . 1 1 51 51 PHE CB C 13 39.646 0.022 . 1 . 1676 . . 51 PHE CB . 26759 1 234 . 1 1 51 51 PHE N N 15 118.078 0.054 . 1 . 1673 . . 51 PHE N . 26759 1 235 . 1 1 52 52 GLU H H 1 7.958 0.002 . 1 . 783 . . 52 GLU H . 26759 1 236 . 1 1 52 52 GLU C C 13 176.787 0.115 . 1 . 1654 . . 52 GLU C . 26759 1 237 . 1 1 52 52 GLU CA C 13 56.652 0.014 . 1 . 1338 . . 52 GLU CA . 26759 1 238 . 1 1 52 52 GLU CB C 13 31.493 0.022 . 1 . 1295 . . 52 GLU CB . 26759 1 239 . 1 1 52 52 GLU N N 15 124.330 0.054 . 1 . 784 . . 52 GLU N . 26759 1 240 . 1 1 53 53 CYS H H 1 8.023 0.002 . 1 . 707 . . 53 CYS H . 26759 1 241 . 1 1 53 53 CYS C C 13 174.179 0.115 . 1 . 1655 . . 53 CYS C . 26759 1 242 . 1 1 53 53 CYS CA C 13 61.232 0.014 . 1 . 1339 . . 53 CYS CA . 26759 1 243 . 1 1 53 53 CYS CB C 13 33.217 0.022 . 1 . 1260 . . 53 CYS CB . 26759 1 244 . 1 1 53 53 CYS N N 15 129.381 0.054 . 1 . 708 . . 53 CYS N . 26759 1 245 . 1 1 54 54 HIS H H 1 8.620 0.002 . 1 . 656 . . 54 HIS H . 26759 1 246 . 1 1 54 54 HIS CA C 13 53.057 0.014 . 1 . 1384 . . 54 HIS CA . 26759 1 247 . 1 1 54 54 HIS CB C 13 34.388 0.022 . 1 . 1282 . . 54 HIS CB . 26759 1 248 . 1 1 54 54 HIS N N 15 121.516 0.054 . 1 . 657 . . 54 HIS N . 26759 1 249 . 1 1 55 55 PRO C C 13 178.760 0.115 . 1 . 1656 . . 55 PRO C . 26759 1 250 . 1 1 55 55 PRO CA C 13 64.170 0.014 . 1 . 1122 . . 55 PRO CA . 26759 1 251 . 1 1 55 55 PRO CB C 13 31.316 0.022 . 1 . 1123 . . 55 PRO CB . 26759 1 252 . 1 1 56 56 GLN H H 1 10.969 0.002 . 1 . 908 . . 56 GLN H . 26759 1 253 . 1 1 56 56 GLN C C 13 175.710 0.115 . 1 . 1657 . . 56 GLN C . 26759 1 254 . 1 1 56 56 GLN CA C 13 56.281 0.014 . 1 . 1120 . . 56 GLN CA . 26759 1 255 . 1 1 56 56 GLN CB C 13 28.567 0.022 . 1 . 1119 . . 56 GLN CB . 26759 1 256 . 1 1 56 56 GLN N N 15 121.291 0.054 . 1 . 909 . . 56 GLN N . 26759 1 257 . 1 1 57 57 VAL H H 1 7.873 0.002 . 1 . 1116 . . 57 VAL H . 26759 1 258 . 1 1 57 57 VAL C C 13 175.562 0.115 . 1 . 1658 . . 57 VAL C . 26759 1 259 . 1 1 57 57 VAL CA C 13 62.528 0.014 . 1 . 1115 . . 57 VAL CA . 26759 1 260 . 1 1 57 57 VAL CB C 13 33.877 0.022 . 1 . 1114 . . 57 VAL CB . 26759 1 261 . 1 1 57 57 VAL N N 15 119.332 0.054 . 1 . 1117 . . 57 VAL N . 26759 1 262 . 1 1 58 58 CYS H H 1 8.054 0.002 . 1 . 878 . . 58 CYS H . 26759 1 263 . 1 1 58 58 CYS CA C 13 58.058 0.014 . 1 . 1112 . . 58 CYS CA . 26759 1 264 . 1 1 58 58 CYS CB C 13 29.028 0.022 . 1 . 1113 . . 58 CYS CB . 26759 1 265 . 1 1 58 58 CYS N N 15 122.929 0.054 . 1 . 879 . . 58 CYS N . 26759 1 266 . 1 1 59 59 PRO C C 13 178.134 0.115 . 1 . 1659 . . 59 PRO C . 26759 1 267 . 1 1 59 59 PRO CA C 13 64.199 0.014 . 1 . 1111 . . 59 PRO CA . 26759 1 268 . 1 1 59 59 PRO CB C 13 31.351 0.022 . 1 . 1110 . . 59 PRO CB . 26759 1 269 . 1 1 60 60 ALA H H 1 9.506 0.002 . 1 . 506 . . 60 ALA H . 26759 1 270 . 1 1 60 60 ALA C C 13 177.600 0.115 . 1 . 1660 . . 60 ALA C . 26759 1 271 . 1 1 60 60 ALA CA C 13 52.195 0.014 . 1 . 1107 . . 60 ALA CA . 26759 1 272 . 1 1 60 60 ALA CB C 13 18.127 0.022 . 1 . 1108 . . 60 ALA CB . 26759 1 273 . 1 1 60 60 ALA N N 15 124.658 0.054 . 1 . 507 . . 60 ALA N . 26759 1 274 . 1 1 61 61 GLY H H 1 7.840 0.002 . 1 . 709 . . 61 GLY H . 26759 1 275 . 1 1 61 61 GLY C C 13 176.695 0.115 . 1 . 1661 . . 61 GLY C . 26759 1 276 . 1 1 61 61 GLY CA C 13 46.519 0.014 . 1 . 1104 . . 61 GLY CA . 26759 1 277 . 1 1 61 61 GLY N N 15 107.619 0.054 . 1 . 710 . . 61 GLY N . 26759 1 278 . 1 1 62 62 GLU H H 1 9.262 0.002 . 1 . 500 . . 62 GLU H . 26759 1 279 . 1 1 62 62 GLU C C 13 176.358 0.115 . 1 . 1662 . . 62 GLU C . 26759 1 280 . 1 1 62 62 GLU CA C 13 57.321 0.014 . 1 . 1103 . . 62 GLU CA . 26759 1 281 . 1 1 62 62 GLU CB C 13 28.139 0.022 . 1 . 1105 . . 62 GLU CB . 26759 1 282 . 1 1 62 62 GLU N N 15 126.160 0.054 . 1 . 501 . . 62 GLU N . 26759 1 283 . 1 1 63 63 PHE H H 1 7.877 0.002 . 1 . 556 . . 63 PHE H . 26759 1 284 . 1 1 63 63 PHE C C 13 174.710 0.115 . 1 . 1663 . . 63 PHE C . 26759 1 285 . 1 1 63 63 PHE CA C 13 57.480 0.014 . 1 . 1382 . . 63 PHE CA . 26759 1 286 . 1 1 63 63 PHE CB C 13 38.568 0.022 . 1 . 1312 . . 63 PHE CB . 26759 1 287 . 1 1 63 63 PHE N N 15 118.339 0.054 . 1 . 557 . . 63 PHE N . 26759 1 288 . 1 1 64 64 CYS H H 1 7.077 0.002 . 1 . 870 . . 64 CYS H . 26759 1 289 . 1 1 64 64 CYS C C 13 178.094 0.115 . 1 . 1664 . . 64 CYS C . 26759 1 290 . 1 1 64 64 CYS CA C 13 61.441 0.014 . 1 . 1381 . . 64 CYS CA . 26759 1 291 . 1 1 64 64 CYS CB C 13 30.539 0.022 . 1 . 1250 . . 64 CYS CB . 26759 1 292 . 1 1 64 64 CYS N N 15 122.214 0.054 . 1 . 871 . . 64 CYS N . 26759 1 293 . 1 1 65 65 GLN H H 1 8.268 0.002 . 1 . 686 . . 65 GLN H . 26759 1 294 . 1 1 65 65 GLN C C 13 175.149 0.115 . 1 . 1666 . . 65 GLN C . 26759 1 295 . 1 1 65 65 GLN CA C 13 55.113 0.014 . 1 . 1368 . . 65 GLN CA . 26759 1 296 . 1 1 65 65 GLN CB C 13 26.914 0.022 . 1 . 1284 . . 65 GLN CB . 26759 1 297 . 1 1 65 65 GLN N N 15 129.031 0.054 . 1 . 687 . . 65 GLN N . 26759 1 298 . 1 1 66 66 ASN H H 1 9.943 0.002 . 1 . 812 . . 66 ASN H . 26759 1 299 . 1 1 66 66 ASN C C 13 174.214 0.115 . 1 . 1667 . . 66 ASN C . 26759 1 300 . 1 1 66 66 ASN CA C 13 51.650 0.014 . 1 . 1335 . . 66 ASN CA . 26759 1 301 . 1 1 66 66 ASN CB C 13 39.153 0.022 . 1 . 1264 . . 66 ASN CB . 26759 1 302 . 1 1 66 66 ASN N N 15 126.847 0.054 . 1 . 813 . . 66 ASN N . 26759 1 303 . 1 1 67 67 GLN H H 1 7.938 0.002 . 1 . 914 . . 67 GLN H . 26759 1 304 . 1 1 67 67 GLN C C 13 175.695 0.115 . 1 . 1668 . . 67 GLN C . 26759 1 305 . 1 1 67 67 GLN CA C 13 54.632 0.014 . 1 . 1403 . . 67 GLN CA . 26759 1 306 . 1 1 67 67 GLN CB C 13 28.308 0.022 . 1 . 1309 . . 67 GLN CB . 26759 1 307 . 1 1 67 67 GLN N N 15 120.134 0.054 . 1 . 915 . . 67 GLN N . 26759 1 308 . 1 1 68 68 CYS H H 1 7.840 0.002 . 1 . 610 . . 68 CYS H . 26759 1 309 . 1 1 68 68 CYS C C 13 178.130 0.115 . 1 . 1669 . . 68 CYS C . 26759 1 310 . 1 1 68 68 CYS CA C 13 61.573 0.014 . 1 . 1334 . . 68 CYS CA . 26759 1 311 . 1 1 68 68 CYS CB C 13 26.853 0.022 . 1 . 1238 . . 68 CYS CB . 26759 1 312 . 1 1 68 68 CYS N N 15 117.693 0.054 . 1 . 611 . . 68 CYS N . 26759 1 313 . 1 1 69 69 PHE H H 1 10.586 0.002 . 1 . 816 . . 69 PHE H . 26759 1 314 . 1 1 69 69 PHE C C 13 182.168 0.115 . 1 . 1670 . . 69 PHE C . 26759 1 315 . 1 1 69 69 PHE CA C 13 60.179 0.014 . 1 . 1369 . . 69 PHE CA . 26759 1 316 . 1 1 69 69 PHE CB C 13 37.257 0.022 . 1 . 1304 . . 69 PHE CB . 26759 1 317 . 1 1 69 69 PHE N N 15 119.351 0.054 . 1 . 817 . . 69 PHE N . 26759 1 318 . 1 1 70 70 THR H H 1 10.163 0.002 . 1 . 542 . . 70 THR H . 26759 1 319 . 1 1 70 70 THR C C 13 176.378 0.115 . 1 . 1671 . . 70 THR C . 26759 1 320 . 1 1 70 70 THR CA C 13 66.759 0.014 . 1 . 1325 . . 70 THR CA . 26759 1 321 . 1 1 70 70 THR CB C 13 68.102 0.022 . 1 . 1257 . . 70 THR CB . 26759 1 322 . 1 1 70 70 THR N N 15 121.508 0.054 . 1 . 543 . . 70 THR N . 26759 1 323 . 1 1 71 71 LYS H H 1 7.975 0.002 . 1 . 652 . . 71 LYS H . 26759 1 324 . 1 1 71 71 LYS C C 13 175.665 0.115 . 1 . 1678 . . 71 LYS C . 26759 1 325 . 1 1 71 71 LYS CA C 13 57.534 0.014 . 1 . 1366 . . 71 LYS CA . 26759 1 326 . 1 1 71 71 LYS CB C 13 31.741 0.022 . 1 . 1281 . . 71 LYS CB . 26759 1 327 . 1 1 71 71 LYS N N 15 117.824 0.054 . 1 . 653 . . 71 LYS N . 26759 1 328 . 1 1 72 72 ARG H H 1 7.291 0.002 . 1 . 494 . . 72 ARG H . 26759 1 329 . 1 1 72 72 ARG C C 13 175.003 0.115 . 1 . 1679 . . 72 ARG C . 26759 1 330 . 1 1 72 72 ARG CA C 13 56.424 0.014 . 1 . 1356 . . 72 ARG CA . 26759 1 331 . 1 1 72 72 ARG CB C 13 26.183 0.022 . 1 . 1287 . . 72 ARG CB . 26759 1 332 . 1 1 72 72 ARG N N 15 116.294 0.054 . 1 . 495 . . 72 ARG N . 26759 1 333 . 1 1 73 73 GLN H H 1 7.742 0.002 . 1 . 466 . . 73 GLN H . 26759 1 334 . 1 1 73 73 GLN C C 13 174.535 0.115 . 1 . 1680 . . 73 GLN C . 26759 1 335 . 1 1 73 73 GLN CA C 13 54.171 0.014 . 1 . 1216 . . 73 GLN CA . 26759 1 336 . 1 1 73 73 GLN CB C 13 27.033 0.022 . 1 . 1217 . . 73 GLN CB . 26759 1 337 . 1 1 73 73 GLN N N 15 119.548 0.054 . 1 . 467 . . 73 GLN N . 26759 1 338 . 1 1 74 74 TYR H H 1 7.352 0.002 . 1 . 660 . . 74 TYR H . 26759 1 339 . 1 1 74 74 TYR CA C 13 51.334 0.014 . 1 . 1390 . . 74 TYR CA . 26759 1 340 . 1 1 74 74 TYR CB C 13 37.064 0.022 . 1 . 1305 . . 74 TYR CB . 26759 1 341 . 1 1 74 74 TYR N N 15 124.219 0.054 . 1 . 661 . . 74 TYR N . 26759 1 342 . 1 1 75 75 PRO C C 13 175.533 0.115 . 1 . 1681 . . 75 PRO C . 26759 1 343 . 1 1 75 75 PRO CA C 13 62.256 0.014 . 1 . 1102 . . 75 PRO CA . 26759 1 344 . 1 1 75 75 PRO CB C 13 30.664 0.022 . 1 . 1101 . . 75 PRO CB . 26759 1 345 . 1 1 76 76 GLU H H 1 8.736 0.002 . 1 . 598 . . 76 GLU H . 26759 1 346 . 1 1 76 76 GLU C C 13 176.667 0.115 . 1 . 1682 . . 76 GLU C . 26759 1 347 . 1 1 76 76 GLU CA C 13 57.537 0.014 . 1 . 1098 . . 76 GLU CA . 26759 1 348 . 1 1 76 76 GLU CB C 13 29.453 0.022 . 1 . 1099 . . 76 GLU CB . 26759 1 349 . 1 1 76 76 GLU N N 15 123.991 0.054 . 1 . 599 . . 76 GLU N . 26759 1 350 . 1 1 77 77 THR H H 1 8.015 0.002 . 1 . 902 . . 77 THR H . 26759 1 351 . 1 1 77 77 THR C C 13 173.644 0.115 . 1 . 1683 . . 77 THR C . 26759 1 352 . 1 1 77 77 THR CA C 13 59.116 0.014 . 1 . 1096 . . 77 THR CA . 26759 1 353 . 1 1 77 77 THR CB C 13 73.313 0.022 . 1 . 1097 . . 77 THR CB . 26759 1 354 . 1 1 77 77 THR N N 15 113.500 0.054 . 1 . 903 . . 77 THR N . 26759 1 355 . 1 1 78 78 LYS H H 1 8.663 0.002 . 1 . 694 . . 78 LYS H . 26759 1 356 . 1 1 78 78 LYS C C 13 173.703 0.115 . 1 . 1684 . . 78 LYS C . 26759 1 357 . 1 1 78 78 LYS CA C 13 54.522 0.014 . 1 . 1336 . . 78 LYS CA . 26759 1 358 . 1 1 78 78 LYS CB C 13 35.347 0.022 . 1 . 1234 . . 78 LYS CB . 26759 1 359 . 1 1 78 78 LYS N N 15 118.441 0.054 . 1 . 695 . . 78 LYS N . 26759 1 360 . 1 1 79 79 ILE H H 1 8.034 0.002 . 1 . 888 . . 79 ILE H . 26759 1 361 . 1 1 79 79 ILE C C 13 176.803 0.115 . 1 . 1685 . . 79 ILE C . 26759 1 362 . 1 1 79 79 ILE CA C 13 60.486 0.014 . 1 . 1378 . . 79 ILE CA . 26759 1 363 . 1 1 79 79 ILE CB C 13 37.795 0.022 . 1 . 1230 . . 79 ILE CB . 26759 1 364 . 1 1 79 79 ILE N N 15 124.089 0.054 . 1 . 889 . . 79 ILE N . 26759 1 365 . 1 1 80 80 ILE H H 1 8.543 0.002 . 1 . 532 . . 80 ILE H . 26759 1 366 . 1 1 80 80 ILE C C 13 175.120 0.115 . 1 . 1686 . . 80 ILE C . 26759 1 367 . 1 1 80 80 ILE CA C 13 58.503 0.014 . 1 . 1393 . . 80 ILE CA . 26759 1 368 . 1 1 80 80 ILE CB C 13 41.605 0.022 . 1 . 1294 . . 80 ILE CB . 26759 1 369 . 1 1 80 80 ILE N N 15 120.324 0.054 . 1 . 533 . . 80 ILE N . 26759 1 370 . 1 1 81 81 LYS H H 1 8.622 0.002 . 1 . 588 . . 81 LYS H . 26759 1 371 . 1 1 81 81 LYS C C 13 176.251 0.115 . 1 . 1687 . . 81 LYS C . 26759 1 372 . 1 1 81 81 LYS CA C 13 56.155 0.014 . 1 . 1387 . . 81 LYS CA . 26759 1 373 . 1 1 81 81 LYS CB C 13 31.639 0.022 . 1 . 1232 . . 81 LYS CB . 26759 1 374 . 1 1 81 81 LYS N N 15 123.764 0.054 . 1 . 589 . . 81 LYS N . 26759 1 375 . 1 1 82 82 THR H H 1 7.768 0.002 . 1 . 864 . . 82 THR H . 26759 1 376 . 1 1 82 82 THR CA C 13 59.561 0.014 . 1 . 1318 . . 82 THR CA . 26759 1 377 . 1 1 82 82 THR CB C 13 70.499 0.022 . 1 . 1310 . . 82 THR CB . 26759 1 378 . 1 1 82 82 THR N N 15 115.634 0.054 . 1 . 865 . . 82 THR N . 26759 1 379 . 1 1 84 84 GLY C C 13 174.392 0.115 . 1 . 1688 . . 84 GLY C . 26759 1 380 . 1 1 84 84 GLY CA C 13 45.260 0.014 . 1 . 1538 . . 84 GLY CA . 26759 1 381 . 1 1 85 85 LYS H H 1 6.865 0.002 . 1 . 727 . . 85 LYS H . 26759 1 382 . 1 1 85 85 LYS C C 13 175.373 0.115 . 1 . 1689 . . 85 LYS C . 26759 1 383 . 1 1 85 85 LYS CA C 13 54.386 0.014 . 1 . 1398 . . 85 LYS CA . 26759 1 384 . 1 1 85 85 LYS CB C 13 30.546 0.022 . 1 . 1095 . . 85 LYS CB . 26759 1 385 . 1 1 85 85 LYS N N 15 115.984 0.054 . 1 . 728 . . 85 LYS N . 26759 1 386 . 1 1 86 86 GLY H H 1 8.095 0.002 . 1 . 826 . . 86 GLY H . 26759 1 387 . 1 1 86 86 GLY C C 13 175.099 0.115 . 1 . 1690 . . 86 GLY C . 26759 1 388 . 1 1 86 86 GLY CA C 13 44.192 0.014 . 1 . 1094 . . 86 GLY CA . 26759 1 389 . 1 1 86 86 GLY N N 15 108.426 0.054 . 1 . 827 . . 86 GLY N . 26759 1 390 . 1 1 87 87 TRP H H 1 9.286 0.002 . 1 . 858 . . 87 TRP H . 26759 1 391 . 1 1 87 87 TRP C C 13 177.498 0.115 . 1 . 1691 . . 87 TRP C . 26759 1 392 . 1 1 87 87 TRP CA C 13 56.491 0.014 . 1 . 1092 . . 87 TRP CA . 26759 1 393 . 1 1 87 87 TRP CB C 13 31.013 0.022 . 1 . 1093 . . 87 TRP CB . 26759 1 394 . 1 1 87 87 TRP N N 15 128.737 0.054 . 1 . 859 . . 87 TRP N . 26759 1 395 . 1 1 88 88 GLY H H 1 9.521 0.002 . 1 . 530 . . 88 GLY H . 26759 1 396 . 1 1 88 88 GLY C C 13 171.317 0.115 . 1 . 1692 . . 88 GLY C . 26759 1 397 . 1 1 88 88 GLY CA C 13 44.358 0.014 . 1 . 1090 . . 88 GLY CA . 26759 1 398 . 1 1 88 88 GLY N N 15 111.642 0.054 . 1 . 531 . . 88 GLY N . 26759 1 399 . 1 1 89 89 LEU H H 1 8.661 0.002 . 1 . 682 . . 89 LEU H . 26759 1 400 . 1 1 89 89 LEU CA C 13 53.126 0.014 . 1 . 1089 . . 89 LEU CA . 26759 1 401 . 1 1 89 89 LEU CB C 13 47.532 0.022 . 1 . 1821 . . 89 LEU CB . 26759 1 402 . 1 1 89 89 LEU N N 15 123.317 0.054 . 1 . 683 . . 89 LEU N . 26759 1 403 . 1 1 95 95 ILE C C 13 175.477 0.115 . 1 . 1696 . . 95 ILE C . 26759 1 404 . 1 1 95 95 ILE CA C 13 59.614 0.014 . 1 . 1531 . . 95 ILE CA . 26759 1 405 . 1 1 95 95 ILE CB C 13 40.511 0.022 . 1 . 1497 . . 95 ILE CB . 26759 1 406 . 1 1 96 96 ARG H H 1 9.580 0.002 . 1 . 743 . . 96 ARG H . 26759 1 407 . 1 1 96 96 ARG C C 13 175.364 0.115 . 1 . 1697 . . 96 ARG C . 26759 1 408 . 1 1 96 96 ARG CA C 13 54.457 0.014 . 1 . 1359 . . 96 ARG CA . 26759 1 409 . 1 1 96 96 ARG CB C 13 31.113 0.022 . 1 . 1314 . . 96 ARG CB . 26759 1 410 . 1 1 96 96 ARG N N 15 130.879 0.054 . 1 . 744 . . 96 ARG N . 26759 1 411 . 1 1 97 97 LYS H H 1 8.583 0.002 . 1 . 729 . . 97 LYS H . 26759 1 412 . 1 1 97 97 LYS C C 13 176.385 0.115 . 1 . 1698 . . 97 LYS C . 26759 1 413 . 1 1 97 97 LYS CA C 13 58.778 0.014 . 1 . 1392 . . 97 LYS CA . 26759 1 414 . 1 1 97 97 LYS CB C 13 31.704 0.022 . 1 . 1296 . . 97 LYS CB . 26759 1 415 . 1 1 97 97 LYS N N 15 121.747 0.054 . 1 . 730 . . 97 LYS N . 26759 1 416 . 1 1 98 98 GLY H H 1 8.270 0.002 . 1 . 739 . . 98 GLY H . 26759 1 417 . 1 1 98 98 GLY C C 13 174.213 0.115 . 1 . 1699 . . 98 GLY C . 26759 1 418 . 1 1 98 98 GLY CA C 13 44.440 0.014 . 1 . 968 . . 98 GLY CA . 26759 1 419 . 1 1 98 98 GLY N N 15 115.608 0.054 . 1 . 740 . . 98 GLY N . 26759 1 420 . 1 1 99 99 GLU H H 1 8.114 0.002 . 1 . 568 . . 99 GLU H . 26759 1 421 . 1 1 99 99 GLU C C 13 175.962 0.115 . 1 . 1700 . . 99 GLU C . 26759 1 422 . 1 1 99 99 GLU CA C 13 58.194 0.014 . 1 . 1343 . . 99 GLU CA . 26759 1 423 . 1 1 99 99 GLU CB C 13 30.415 0.022 . 1 . 1274 . . 99 GLU CB . 26759 1 424 . 1 1 99 99 GLU N N 15 119.587 0.054 . 1 . 569 . . 99 GLU N . 26759 1 425 . 1 1 100 100 PHE H H 1 7.662 0.002 . 1 . 824 . . 100 PHE H . 26759 1 426 . 1 1 100 100 PHE C C 13 174.180 0.115 . 1 . 1701 . . 100 PHE C . 26759 1 427 . 1 1 100 100 PHE CA C 13 57.168 0.014 . 1 . 1364 . . 100 PHE CA . 26759 1 428 . 1 1 100 100 PHE CB C 13 38.996 0.022 . 1 . 1243 . . 100 PHE CB . 26759 1 429 . 1 1 100 100 PHE N N 15 122.081 0.054 . 1 . 825 . . 100 PHE N . 26759 1 430 . 1 1 101 101 VAL H H 1 8.622 0.002 . 1 . 594 . . 101 VAL H . 26759 1 431 . 1 1 101 101 VAL C C 13 174.448 0.115 . 1 . 1702 . . 101 VAL C . 26759 1 432 . 1 1 101 101 VAL CA C 13 62.323 0.014 . 1 . 1360 . . 101 VAL CA . 26759 1 433 . 1 1 101 101 VAL CB C 13 32.329 0.022 . 1 . 1254 . . 101 VAL CB . 26759 1 434 . 1 1 101 101 VAL N N 15 126.862 0.054 . 1 . 595 . . 101 VAL N . 26759 1 435 . 1 1 102 102 ASN H H 1 6.580 0.002 . 1 . 767 . . 102 ASN H . 26759 1 436 . 1 1 102 102 ASN CA C 13 51.615 0.014 . 1 . 1346 . . 102 ASN CA . 26759 1 437 . 1 1 102 102 ASN CB C 13 42.279 0.022 . 1 . 1235 . . 102 ASN CB . 26759 1 438 . 1 1 102 102 ASN N N 15 114.584 0.054 . 1 . 768 . . 102 ASN N . 26759 1 439 . 1 1 103 103 GLU C C 13 174.242 0.115 . 1 . 1703 . . 103 GLU C . 26759 1 440 . 1 1 103 103 GLU CA C 13 53.430 0.014 . 1 . 1573 . . 103 GLU CA . 26759 1 441 . 1 1 103 103 GLU CB C 13 31.716 0.022 . 1 . 1422 . . 103 GLU CB . 26759 1 442 . 1 1 104 104 TYR H H 1 8.623 0.002 . 1 . 670 . . 104 TYR H . 26759 1 443 . 1 1 104 104 TYR C C 13 173.362 0.115 . 1 . 1704 . . 104 TYR C . 26759 1 444 . 1 1 104 104 TYR CA C 13 57.655 0.014 . 1 . 1355 . . 104 TYR CA . 26759 1 445 . 1 1 104 104 TYR CB C 13 37.399 0.022 . 1 . 1245 . . 104 TYR CB . 26759 1 446 . 1 1 104 104 TYR N N 15 130.723 0.054 . 1 . 671 . . 104 TYR N . 26759 1 447 . 1 1 105 105 VAL H H 1 5.797 0.002 . 1 . 777 . . 105 VAL H . 26759 1 448 . 1 1 105 105 VAL C C 13 175.281 0.115 . 1 . 1705 . . 105 VAL C . 26759 1 449 . 1 1 105 105 VAL CA C 13 57.850 0.014 . 1 . 1322 . . 105 VAL CA . 26759 1 450 . 1 1 105 105 VAL CB C 13 34.277 0.022 . 1 . 1249 . . 105 VAL CB . 26759 1 451 . 1 1 105 105 VAL N N 15 124.037 0.054 . 1 . 778 . . 105 VAL N . 26759 1 452 . 1 1 106 106 GLY H H 1 8.281 0.002 . 1 . 775 . . 106 GLY H . 26759 1 453 . 1 1 106 106 GLY C C 13 172.612 0.115 . 1 . 1706 . . 106 GLY C . 26759 1 454 . 1 1 106 106 GLY CA C 13 46.150 0.014 . 1 . 1410 . . 106 GLY CA . 26759 1 455 . 1 1 106 106 GLY N N 15 107.868 0.054 . 1 . 776 . . 106 GLY N . 26759 1 456 . 1 1 107 107 GLU H H 1 8.191 0.002 . 1 . 836 . . 107 GLU H . 26759 1 457 . 1 1 107 107 GLU C C 13 175.261 0.115 . 1 . 1707 . . 107 GLU C . 26759 1 458 . 1 1 107 107 GLU CA C 13 55.423 0.014 . 1 . 1087 . . 107 GLU CA . 26759 1 459 . 1 1 107 107 GLU CB C 13 31.050 0.022 . 1 . 1088 . . 107 GLU CB . 26759 1 460 . 1 1 107 107 GLU N N 15 121.605 0.054 . 1 . 837 . . 107 GLU N . 26759 1 461 . 1 1 108 108 LEU H H 1 8.407 0.002 . 1 . 1084 . . 108 LEU H . 26759 1 462 . 1 1 108 108 LEU C C 13 174.524 0.115 . 1 . 1708 . . 108 LEU C . 26759 1 463 . 1 1 108 108 LEU CA C 13 53.644 0.014 . 1 . 1083 . . 108 LEU CA . 26759 1 464 . 1 1 108 108 LEU CB C 13 43.495 0.022 . 1 . 1082 . . 108 LEU CB . 26759 1 465 . 1 1 108 108 LEU N N 15 128.643 0.054 . 1 . 1085 . . 108 LEU N . 26759 1 466 . 1 1 109 109 ILE H H 1 9.490 0.002 . 1 . 548 . . 109 ILE H . 26759 1 467 . 1 1 109 109 ILE C C 13 174.173 0.115 . 1 . 1709 . . 109 ILE C . 26759 1 468 . 1 1 109 109 ILE CA C 13 58.545 0.014 . 1 . 1079 . . 109 ILE CA . 26759 1 469 . 1 1 109 109 ILE CB C 13 40.997 0.022 . 1 . 1078 . . 109 ILE CB . 26759 1 470 . 1 1 109 109 ILE N N 15 118.628 0.054 . 1 . 549 . . 109 ILE N . 26759 1 471 . 1 1 110 110 ASP H H 1 8.196 0.002 . 1 . 785 . . 110 ASP H . 26759 1 472 . 1 1 110 110 ASP C C 13 176.511 0.115 . 1 . 1710 . . 110 ASP C . 26759 1 473 . 1 1 110 110 ASP CA C 13 50.554 0.014 . 1 . 1076 . . 110 ASP CA . 26759 1 474 . 1 1 110 110 ASP CB C 13 40.935 0.022 . 1 . 1077 . . 110 ASP CB . 26759 1 475 . 1 1 110 110 ASP N N 15 119.330 0.054 . 1 . 786 . . 110 ASP N . 26759 1 476 . 1 1 111 111 GLU H H 1 8.515 0.002 . 1 . 558 . . 111 GLU H . 26759 1 477 . 1 1 111 111 GLU C C 13 178.451 0.115 . 1 . 1711 . . 111 GLU C . 26759 1 478 . 1 1 111 111 GLU CA C 13 60.092 0.014 . 1 . 1370 . . 111 GLU CA . 26759 1 479 . 1 1 111 111 GLU CB C 13 29.080 0.022 . 1 . 1267 . . 111 GLU CB . 26759 1 480 . 1 1 111 111 GLU N N 15 118.672 0.054 . 1 . 559 . . 111 GLU N . 26759 1 481 . 1 1 112 112 GLU H H 1 8.368 0.002 . 1 . 757 . . 112 GLU H . 26759 1 482 . 1 1 112 112 GLU C C 13 179.529 0.115 . 1 . 1712 . . 112 GLU C . 26759 1 483 . 1 1 112 112 GLU CA C 13 59.411 0.014 . 1 . 1402 . . 112 GLU CA . 26759 1 484 . 1 1 112 112 GLU CB C 13 28.799 0.022 . 1 . 1269 . . 112 GLU CB . 26759 1 485 . 1 1 112 112 GLU N N 15 120.680 0.054 . 1 . 758 . . 112 GLU N . 26759 1 486 . 1 1 113 113 GLU H H 1 8.498 0.002 . 1 . 528 . . 113 GLU H . 26759 1 487 . 1 1 113 113 GLU C C 13 178.079 0.115 . 1 . 1713 . . 113 GLU C . 26759 1 488 . 1 1 113 113 GLU CA C 13 57.903 0.014 . 1 . 1342 . . 113 GLU CA . 26759 1 489 . 1 1 113 113 GLU CB C 13 28.046 0.022 . 1 . 1278 . . 113 GLU CB . 26759 1 490 . 1 1 113 113 GLU N N 15 123.423 0.054 . 1 . 529 . . 113 GLU N . 26759 1 491 . 1 1 114 114 CYS H H 1 8.814 0.002 . 1 . 790 . . 114 CYS H . 26759 1 492 . 1 1 114 114 CYS C C 13 176.438 0.115 . 1 . 1714 . . 114 CYS C . 26759 1 493 . 1 1 114 114 CYS CA C 13 62.853 0.014 . 1 . 1377 . . 114 CYS CA . 26759 1 494 . 1 1 114 114 CYS CB C 13 26.274 0.022 . 1 . 1292 . . 114 CYS CB . 26759 1 495 . 1 1 114 114 CYS N N 15 121.156 0.054 . 1 . 791 . . 114 CYS N . 26759 1 496 . 1 1 115 115 MET H H 1 8.680 0.002 . 1 . 536 . . 115 MET H . 26759 1 497 . 1 1 115 115 MET C C 13 179.597 0.115 . 1 . 1715 . . 115 MET C . 26759 1 498 . 1 1 115 115 MET CA C 13 57.774 0.014 . 1 . 1354 . . 115 MET CA . 26759 1 499 . 1 1 115 115 MET CB C 13 30.810 0.022 . 1 . 1231 . . 115 MET CB . 26759 1 500 . 1 1 115 115 MET N N 15 117.138 0.054 . 1 . 537 . . 115 MET N . 26759 1 501 . 1 1 116 116 ALA H H 1 7.858 0.002 . 1 . 622 . . 116 ALA H . 26759 1 502 . 1 1 116 116 ALA C C 13 181.146 0.115 . 1 . 1716 . . 116 ALA C . 26759 1 503 . 1 1 116 116 ALA CA C 13 54.938 0.014 . 1 . 1386 . . 116 ALA CA . 26759 1 504 . 1 1 116 116 ALA CB C 13 17.178 0.022 . 1 . 1308 . . 116 ALA CB . 26759 1 505 . 1 1 116 116 ALA N N 15 123.767 0.054 . 1 . 623 . . 116 ALA N . 26759 1 506 . 1 1 117 117 ARG H H 1 8.382 0.002 . 1 . 570 . . 117 ARG H . 26759 1 507 . 1 1 117 117 ARG C C 13 180.629 0.115 . 1 . 1717 . . 117 ARG C . 26759 1 508 . 1 1 117 117 ARG CA C 13 59.572 0.014 . 1 . 1073 . . 117 ARG CA . 26759 1 509 . 1 1 117 117 ARG CB C 13 29.857 0.022 . 1 . 1075 . . 117 ARG CB . 26759 1 510 . 1 1 117 117 ARG N N 15 120.970 0.054 . 1 . 571 . . 117 ARG N . 26759 1 511 . 1 1 118 118 ILE H H 1 8.722 0.002 . 1 . 733 . . 118 ILE H . 26759 1 512 . 1 1 118 118 ILE C C 13 177.135 0.115 . 1 . 1718 . . 118 ILE C . 26759 1 513 . 1 1 118 118 ILE CA C 13 65.718 0.014 . 1 . 1071 . . 118 ILE CA . 26759 1 514 . 1 1 118 118 ILE CB C 13 36.964 0.022 . 1 . 1070 . . 118 ILE CB . 26759 1 515 . 1 1 118 118 ILE N N 15 123.674 0.054 . 1 . 734 . . 118 ILE N . 26759 1 516 . 1 1 119 119 LYS H H 1 7.994 0.002 . 1 . 717 . . 119 LYS H . 26759 1 517 . 1 1 119 119 LYS C C 13 179.088 0.115 . 1 . 1719 . . 119 LYS C . 26759 1 518 . 1 1 119 119 LYS CA C 13 59.470 0.014 . 1 . 1068 . . 119 LYS CA . 26759 1 519 . 1 1 119 119 LYS CB C 13 31.572 0.022 . 1 . 1069 . . 119 LYS CB . 26759 1 520 . 1 1 119 119 LYS N N 15 120.956 0.054 . 1 . 718 . . 119 LYS N . 26759 1 521 . 1 1 120 120 HIS H H 1 8.070 0.002 . 1 . 1222 . . 120 HIS H . 26759 1 522 . 1 1 120 120 HIS C C 13 178.243 0.115 . 1 . 1720 . . 120 HIS C . 26759 1 523 . 1 1 120 120 HIS CA C 13 59.476 0.014 . 1 . 1375 . . 120 HIS CA . 26759 1 524 . 1 1 120 120 HIS CB C 13 29.964 0.022 . 1 . 1247 . . 120 HIS CB . 26759 1 525 . 1 1 120 120 HIS N N 15 118.209 0.054 . 1 . 1223 . . 120 HIS N . 26759 1 526 . 1 1 121 121 ALA H H 1 8.205 0.002 . 1 . 868 . . 121 ALA H . 26759 1 527 . 1 1 121 121 ALA C C 13 180.689 0.115 . 1 . 1721 . . 121 ALA C . 26759 1 528 . 1 1 121 121 ALA CA C 13 55.049 0.014 . 1 . 1401 . . 121 ALA CA . 26759 1 529 . 1 1 121 121 ALA CB C 13 17.909 0.022 . 1 . 1261 . . 121 ALA CB . 26759 1 530 . 1 1 121 121 ALA N N 15 123.475 0.054 . 1 . 869 . . 121 ALA N . 26759 1 531 . 1 1 122 122 HIS H H 1 8.522 0.002 . 1 . 632 . . 122 HIS H . 26759 1 532 . 1 1 122 122 HIS C C 13 179.609 0.115 . 1 . 1722 . . 122 HIS C . 26759 1 533 . 1 1 122 122 HIS CA C 13 58.025 0.014 . 1 . 1380 . . 122 HIS CA . 26759 1 534 . 1 1 122 122 HIS CB C 13 29.342 0.022 . 1 . 1256 . . 122 HIS CB . 26759 1 535 . 1 1 122 122 HIS N N 15 117.634 0.054 . 1 . 633 . . 122 HIS N . 26759 1 536 . 1 1 123 123 GLU H H 1 8.138 0.002 . 1 . 512 . . 123 GLU H . 26759 1 537 . 1 1 123 123 GLU C C 13 177.084 0.115 . 1 . 1723 . . 123 GLU C . 26759 1 538 . 1 1 123 123 GLU CA C 13 57.830 0.014 . 1 . 1065 . . 123 GLU CA . 26759 1 539 . 1 1 123 123 GLU CB C 13 28.981 0.022 . 1 . 1064 . . 123 GLU CB . 26759 1 540 . 1 1 123 123 GLU N N 15 119.201 0.054 . 1 . 513 . . 123 GLU N . 26759 1 541 . 1 1 124 124 ASN H H 1 7.485 0.002 . 1 . 628 . . 124 ASN H . 26759 1 542 . 1 1 124 124 ASN C C 13 172.939 0.115 . 1 . 1724 . . 124 ASN C . 26759 1 543 . 1 1 124 124 ASN CA C 13 53.173 0.014 . 1 . 1061 . . 124 ASN CA . 26759 1 544 . 1 1 124 124 ASN CB C 13 39.162 0.022 . 1 . 1062 . . 124 ASN CB . 26759 1 545 . 1 1 124 124 ASN N N 15 116.520 0.054 . 1 . 629 . . 124 ASN N . 26759 1 546 . 1 1 125 125 ASP H H 1 7.825 0.002 . 1 . 502 . . 125 ASP H . 26759 1 547 . 1 1 125 125 ASP C C 13 174.698 0.115 . 1 . 1725 . . 125 ASP C . 26759 1 548 . 1 1 125 125 ASP CA C 13 55.378 0.014 . 1 . 1059 . . 125 ASP CA . 26759 1 549 . 1 1 125 125 ASP CB C 13 38.745 0.022 . 1 . 1058 . . 125 ASP CB . 26759 1 550 . 1 1 125 125 ASP N N 15 117.191 0.054 . 1 . 503 . . 125 ASP N . 26759 1 551 . 1 1 126 126 ILE H H 1 8.071 0.002 . 1 . 804 . . 126 ILE H . 26759 1 552 . 1 1 126 126 ILE C C 13 176.088 0.115 . 1 . 1605 . . 126 ILE C . 26759 1 553 . 1 1 126 126 ILE CA C 13 60.520 0.014 . 1 . 1055 . . 126 ILE CA . 26759 1 554 . 1 1 126 126 ILE CB C 13 36.381 0.022 . 1 . 1056 . . 126 ILE CB . 26759 1 555 . 1 1 126 126 ILE N N 15 120.954 0.054 . 1 . 805 . . 126 ILE N . 26759 1 556 . 1 1 127 127 THR H H 1 8.113 0.002 . 1 . 1053 . . 127 THR H . 26759 1 557 . 1 1 127 127 THR C C 13 173.712 0.115 . 1 . 1726 . . 127 THR C . 26759 1 558 . 1 1 127 127 THR CA C 13 62.008 0.014 . 1 . 1051 . . 127 THR CA . 26759 1 559 . 1 1 127 127 THR CB C 13 69.073 0.022 . 1 . 1052 . . 127 THR CB . 26759 1 560 . 1 1 127 127 THR N N 15 117.049 0.054 . 1 . 1054 . . 127 THR N . 26759 1 561 . 1 1 128 128 HIS H H 1 6.961 0.002 . 1 . 749 . . 128 HIS H . 26759 1 562 . 1 1 128 128 HIS C C 13 173.054 0.115 . 1 . 1727 . . 128 HIS C . 26759 1 563 . 1 1 128 128 HIS CA C 13 54.645 0.014 . 1 . 1047 . . 128 HIS CA . 26759 1 564 . 1 1 128 128 HIS CB C 13 32.803 0.022 . 1 . 1048 . . 128 HIS CB . 26759 1 565 . 1 1 128 128 HIS N N 15 119.692 0.054 . 1 . 750 . . 128 HIS N . 26759 1 566 . 1 1 129 129 PHE H H 1 7.536 0.002 . 1 . 781 . . 129 PHE H . 26759 1 567 . 1 1 129 129 PHE C C 13 175.432 0.115 . 1 . 1728 . . 129 PHE C . 26759 1 568 . 1 1 129 129 PHE CA C 13 57.460 0.014 . 1 . 1045 . . 129 PHE CA . 26759 1 569 . 1 1 129 129 PHE CB C 13 42.855 0.022 . 1 . 1046 . . 129 PHE CB . 26759 1 570 . 1 1 129 129 PHE N N 15 119.591 0.054 . 1 . 782 . . 129 PHE N . 26759 1 571 . 1 1 130 130 TYR H H 1 9.364 0.002 . 1 . 705 . . 130 TYR H . 26759 1 572 . 1 1 130 130 TYR C C 13 178.237 0.115 . 1 . 1729 . . 130 TYR C . 26759 1 573 . 1 1 130 130 TYR CA C 13 56.168 0.014 . 1 . 1371 . . 130 TYR CA . 26759 1 574 . 1 1 130 130 TYR CB C 13 39.305 0.022 . 1 . 1288 . . 130 TYR CB . 26759 1 575 . 1 1 130 130 TYR N N 15 118.338 0.054 . 1 . 706 . . 130 TYR N . 26759 1 576 . 1 1 131 131 MET H H 1 8.176 0.002 . 1 . 822 . . 131 MET H . 26759 1 577 . 1 1 131 131 MET C C 13 175.675 0.115 . 1 . 1731 . . 131 MET C . 26759 1 578 . 1 1 131 131 MET CA C 13 55.022 0.014 . 1 . 1408 . . 131 MET CA . 26759 1 579 . 1 1 131 131 MET CB C 13 33.853 0.022 . 1 . 1285 . . 131 MET CB . 26759 1 580 . 1 1 131 131 MET N N 15 125.629 0.054 . 1 . 823 . . 131 MET N . 26759 1 581 . 1 1 132 132 LEU H H 1 9.483 0.002 . 1 . 779 . . 132 LEU H . 26759 1 582 . 1 1 132 132 LEU C C 13 175.476 0.115 . 1 . 1732 . . 132 LEU C . 26759 1 583 . 1 1 132 132 LEU CA C 13 55.184 0.014 . 1 . 1413 . . 132 LEU CA . 26759 1 584 . 1 1 132 132 LEU CB C 13 45.469 0.022 . 1 . 1242 . . 132 LEU CB . 26759 1 585 . 1 1 132 132 LEU N N 15 129.341 0.054 . 1 . 780 . . 132 LEU N . 26759 1 586 . 1 1 133 133 THR H H 1 9.016 0.002 . 1 . 516 . . 133 THR H . 26759 1 587 . 1 1 133 133 THR C C 13 174.180 0.115 . 1 . 1733 . . 133 THR C . 26759 1 588 . 1 1 133 133 THR CA C 13 64.349 0.014 . 1 . 1399 . . 133 THR CA . 26759 1 589 . 1 1 133 133 THR CB C 13 69.265 0.022 . 1 . 1279 . . 133 THR CB . 26759 1 590 . 1 1 133 133 THR N N 15 124.211 0.054 . 1 . 517 . . 133 THR N . 26759 1 591 . 1 1 134 134 ILE H H 1 8.667 0.002 . 1 . 464 . . 134 ILE H . 26759 1 592 . 1 1 134 134 ILE C C 13 175.057 0.115 . 1 . 1734 . . 134 ILE C . 26759 1 593 . 1 1 134 134 ILE CA C 13 63.662 0.014 . 1 . 1214 . . 134 ILE CA . 26759 1 594 . 1 1 134 134 ILE CB C 13 37.920 0.022 . 1 . 1215 . . 134 ILE CB . 26759 1 595 . 1 1 134 134 ILE N N 15 124.175 0.054 . 1 . 465 . . 134 ILE N . 26759 1 596 . 1 1 135 135 ASP H H 1 8.434 0.002 . 1 . 715 . . 135 ASP H . 26759 1 597 . 1 1 135 135 ASP C C 13 175.335 0.115 . 1 . 1735 . . 135 ASP C . 26759 1 598 . 1 1 135 135 ASP CA C 13 52.251 0.014 . 1 . 1406 . . 135 ASP CA . 26759 1 599 . 1 1 135 135 ASP CB C 13 41.135 0.022 . 1 . 1248 . . 135 ASP CB . 26759 1 600 . 1 1 135 135 ASP N N 15 119.455 0.054 . 1 . 716 . . 135 ASP N . 26759 1 601 . 1 1 136 136 LYS H H 1 8.346 0.002 . 1 . 544 . . 136 LYS H . 26759 1 602 . 1 1 136 136 LYS CA C 13 57.965 0.014 . 1 . 1352 . . 136 LYS CA . 26759 1 603 . 1 1 136 136 LYS CB C 13 30.931 0.022 . 1 . 1252 . . 136 LYS CB . 26759 1 604 . 1 1 136 136 LYS N N 15 117.473 0.054 . 1 . 545 . . 136 LYS N . 26759 1 605 . 1 1 137 137 ASP C C 13 175.669 0.115 . 1 . 1736 . . 137 ASP C . 26759 1 606 . 1 1 138 138 ARG H H 1 7.804 0.002 . 1 . 731 . . 138 ARG H . 26759 1 607 . 1 1 138 138 ARG C C 13 173.044 0.115 . 1 . 1737 . . 138 ARG C . 26759 1 608 . 1 1 138 138 ARG CA C 13 55.983 0.014 . 1 . 1340 . . 138 ARG CA . 26759 1 609 . 1 1 138 138 ARG CB C 13 32.873 0.022 . 1 . 1262 . . 138 ARG CB . 26759 1 610 . 1 1 138 138 ARG N N 15 118.750 0.054 . 1 . 732 . . 138 ARG N . 26759 1 611 . 1 1 139 139 ILE H H 1 9.538 0.002 . 1 . 898 . . 139 ILE H . 26759 1 612 . 1 1 139 139 ILE C C 13 173.788 0.115 . 1 . 1738 . . 139 ILE C . 26759 1 613 . 1 1 139 139 ILE CA C 13 60.465 0.014 . 1 . 1331 . . 139 ILE CA . 26759 1 614 . 1 1 139 139 ILE CB C 13 42.005 0.022 . 1 . 1303 . . 139 ILE CB . 26759 1 615 . 1 1 139 139 ILE N N 15 127.546 0.054 . 1 . 899 . . 139 ILE N . 26759 1 616 . 1 1 140 140 ILE H H 1 9.297 0.002 . 1 . 600 . . 140 ILE H . 26759 1 617 . 1 1 140 140 ILE C C 13 175.033 0.115 . 1 . 1739 . . 140 ILE C . 26759 1 618 . 1 1 140 140 ILE CA C 13 60.947 0.014 . 1 . 1391 . . 140 ILE CA . 26759 1 619 . 1 1 140 140 ILE CB C 13 38.303 0.022 . 1 . 1313 . . 140 ILE CB . 26759 1 620 . 1 1 140 140 ILE N N 15 126.418 0.054 . 1 . 601 . . 140 ILE N . 26759 1 621 . 1 1 141 141 ASP H H 1 9.701 0.002 . 1 . 741 . . 141 ASP H . 26759 1 622 . 1 1 141 141 ASP C C 13 176.491 0.115 . 1 . 1740 . . 141 ASP C . 26759 1 623 . 1 1 141 141 ASP CA C 13 52.234 0.014 . 1 . 1044 . . 141 ASP CA . 26759 1 624 . 1 1 141 141 ASP CB C 13 41.512 0.022 . 1 . 1043 . . 141 ASP CB . 26759 1 625 . 1 1 141 141 ASP N N 15 126.999 0.054 . 1 . 742 . . 141 ASP N . 26759 1 626 . 1 1 142 142 ALA H H 1 8.126 0.002 . 1 . 830 . . 142 ALA H . 26759 1 627 . 1 1 142 142 ALA C C 13 176.486 0.115 . 1 . 1741 . . 142 ALA C . 26759 1 628 . 1 1 142 142 ALA CA C 13 50.688 0.014 . 1 . 1040 . . 142 ALA CA . 26759 1 629 . 1 1 142 142 ALA CB C 13 17.654 0.022 . 1 . 1041 . . 142 ALA CB . 26759 1 630 . 1 1 142 142 ALA N N 15 128.581 0.054 . 1 . 831 . . 142 ALA N . 26759 1 631 . 1 1 143 143 GLY H H 1 8.772 0.002 . 1 . 496 . . 143 GLY H . 26759 1 632 . 1 1 143 143 GLY CA C 13 46.941 0.014 . 1 . 1039 . . 143 GLY CA . 26759 1 633 . 1 1 143 143 GLY N N 15 109.266 0.054 . 1 . 497 . . 143 GLY N . 26759 1 634 . 1 1 144 144 PRO C C 13 178.142 0.115 . 1 . 1742 . . 144 PRO C . 26759 1 635 . 1 1 144 144 PRO CA C 13 63.255 0.014 . 1 . 1038 . . 144 PRO CA . 26759 1 636 . 1 1 144 144 PRO CB C 13 31.882 0.022 . 1 . 1037 . . 144 PRO CB . 26759 1 637 . 1 1 145 145 LYS H H 1 6.661 0.002 . 1 . 912 . . 145 LYS H . 26759 1 638 . 1 1 145 145 LYS C C 13 172.635 0.115 . 1 . 1743 . . 145 LYS C . 26759 1 639 . 1 1 145 145 LYS CA C 13 53.290 0.014 . 1 . 1033 . . 145 LYS CA . 26759 1 640 . 1 1 145 145 LYS CB C 13 35.487 0.022 . 1 . 1034 . . 145 LYS CB . 26759 1 641 . 1 1 145 145 LYS N N 15 115.140 0.054 . 1 . 913 . . 145 LYS N . 26759 1 642 . 1 1 146 146 GLY H H 1 8.093 0.002 . 1 . 814 . . 146 GLY H . 26759 1 643 . 1 1 146 146 GLY C C 13 170.971 0.115 . 1 . 1744 . . 146 GLY C . 26759 1 644 . 1 1 146 146 GLY CA C 13 45.191 0.014 . 1 . 1031 . . 146 GLY CA . 26759 1 645 . 1 1 146 146 GLY N N 15 104.813 0.054 . 1 . 815 . . 146 GLY N . 26759 1 646 . 1 1 147 147 ASN H H 1 8.678 0.002 . 1 . 648 . . 147 ASN H . 26759 1 647 . 1 1 147 147 ASN C C 13 176.372 0.115 . 1 . 1745 . . 147 ASN C . 26759 1 648 . 1 1 147 147 ASN CA C 13 50.475 0.014 . 1 . 1029 . . 147 ASN CA . 26759 1 649 . 1 1 147 147 ASN CB C 13 37.578 0.022 . 1 . 1030 . . 147 ASN CB . 26759 1 650 . 1 1 147 147 ASN N N 15 122.703 0.054 . 1 . 649 . . 147 ASN N . 26759 1 651 . 1 1 148 148 TYR H H 1 7.980 0.002 . 1 . 554 . . 148 TYR H . 26759 1 652 . 1 1 148 148 TYR C C 13 177.990 0.115 . 1 . 1784 . . 148 TYR C . 26759 1 653 . 1 1 148 148 TYR CA C 13 61.249 0.014 . 1 . 1323 . . 148 TYR CA . 26759 1 654 . 1 1 148 148 TYR CB C 13 35.565 0.022 . 1 . 1236 . . 148 TYR CB . 26759 1 655 . 1 1 148 148 TYR N N 15 112.720 0.054 . 1 . 555 . . 148 TYR N . 26759 1 656 . 1 1 149 149 SER H H 1 8.264 0.002 . 1 . 1780 . . 149 SER H . 26759 1 657 . 1 1 149 149 SER C C 13 176.051 0.115 . 1 . 1813 . . 149 SER C . 26759 1 658 . 1 1 149 149 SER CA C 13 61.579 0.014 . 1 . 1782 . . 149 SER CA . 26759 1 659 . 1 1 149 149 SER N N 15 114.136 0.054 . 1 . 1781 . . 149 SER N . 26759 1 660 . 1 1 150 150 ARG H H 1 7.006 0.002 . 1 . 654 . . 150 ARG H . 26759 1 661 . 1 1 150 150 ARG C C 13 174.800 0.115 . 1 . 1746 . . 150 ARG C . 26759 1 662 . 1 1 150 150 ARG CA C 13 57.074 0.014 . 1 . 1365 . . 150 ARG CA . 26759 1 663 . 1 1 150 150 ARG CB C 13 28.785 0.022 . 1 . 1817 . . 150 ARG CB . 26759 1 664 . 1 1 150 150 ARG N N 15 122.242 0.054 . 1 . 655 . . 150 ARG N . 26759 1 665 . 1 1 151 151 PHE H H 1 7.664 0.002 . 1 . 582 . . 151 PHE H . 26759 1 666 . 1 1 151 151 PHE C C 13 174.119 0.115 . 1 . 1747 . . 151 PHE C . 26759 1 667 . 1 1 151 151 PHE CA C 13 59.149 0.014 . 1 . 1385 . . 151 PHE CA . 26759 1 668 . 1 1 151 151 PHE CB C 13 38.468 0.022 . 1 . 1311 . . 151 PHE CB . 26759 1 669 . 1 1 151 151 PHE N N 15 115.899 0.054 . 1 . 583 . . 151 PHE N . 26759 1 670 . 1 1 152 152 MET H H 1 7.507 0.002 . 1 . 562 . . 152 MET H . 26759 1 671 . 1 1 152 152 MET C C 13 178.013 0.115 . 1 . 1748 . . 152 MET C . 26759 1 672 . 1 1 152 152 MET CA C 13 56.954 0.014 . 1 . 1341 . . 152 MET CA . 26759 1 673 . 1 1 152 152 MET CB C 13 32.714 0.022 . 1 . 1268 . . 152 MET CB . 26759 1 674 . 1 1 152 152 MET N N 15 114.898 0.054 . 1 . 563 . . 152 MET N . 26759 1 675 . 1 1 153 153 ASN H H 1 9.591 0.002 . 1 . 668 . . 153 ASN H . 26759 1 676 . 1 1 153 153 ASN C C 13 172.067 0.115 . 1 . 1749 . . 153 ASN C . 26759 1 677 . 1 1 153 153 ASN CA C 13 53.056 0.014 . 1 . 1415 . . 153 ASN CA . 26759 1 678 . 1 1 153 153 ASN CB C 13 38.648 0.022 . 1 . 1239 . . 153 ASN CB . 26759 1 679 . 1 1 153 153 ASN N N 15 126.867 0.054 . 1 . 669 . . 153 ASN N . 26759 1 680 . 1 1 154 154 HIS H H 1 9.598 0.002 . 1 . 735 . . 154 HIS H . 26759 1 681 . 1 1 154 154 HIS C C 13 180.321 0.115 . 1 . 1751 . . 154 HIS C . 26759 1 682 . 1 1 154 154 HIS CA C 13 56.016 0.014 . 1 . 1327 . . 154 HIS CA . 26759 1 683 . 1 1 154 154 HIS CB C 13 30.016 0.022 . 1 . 1227 . . 154 HIS CB . 26759 1 684 . 1 1 154 154 HIS N N 15 120.026 0.054 . 1 . 736 . . 154 HIS N . 26759 1 685 . 1 1 155 155 SER H H 1 6.634 0.002 . 1 . 526 . . 155 SER H . 26759 1 686 . 1 1 155 155 SER C C 13 171.497 0.115 . 1 . 1752 . . 155 SER C . 26759 1 687 . 1 1 155 155 SER CA C 13 55.551 0.014 . 1 . 1320 . . 155 SER CA . 26759 1 688 . 1 1 155 155 SER CB C 13 64.405 0.022 . 1 . 1301 . . 155 SER CB . 26759 1 689 . 1 1 155 155 SER N N 15 119.952 0.054 . 1 . 527 . . 155 SER N . 26759 1 690 . 1 1 156 156 CYS H H 1 8.824 0.002 . 1 . 650 . . 156 CYS H . 26759 1 691 . 1 1 156 156 CYS C C 13 176.060 0.115 . 1 . 1753 . . 156 CYS C . 26759 1 692 . 1 1 156 156 CYS CA C 13 61.758 0.014 . 1 . 1400 . . 156 CYS CA . 26759 1 693 . 1 1 156 156 CYS CB C 13 28.530 0.022 . 1 . 1246 . . 156 CYS CB . 26759 1 694 . 1 1 156 156 CYS N N 15 128.253 0.054 . 1 . 651 . . 156 CYS N . 26759 1 695 . 1 1 157 157 GLN H H 1 8.411 0.002 . 1 . 630 . . 157 GLN H . 26759 1 696 . 1 1 157 157 GLN CA C 13 52.701 0.014 . 1 . 1405 . . 157 GLN CA . 26759 1 697 . 1 1 157 157 GLN CB C 13 28.740 0.022 . 1 . 1258 . . 157 GLN CB . 26759 1 698 . 1 1 157 157 GLN N N 15 121.346 0.054 . 1 . 631 . . 157 GLN N . 26759 1 699 . 1 1 158 158 PRO C C 13 176.468 0.115 . 1 . 1750 . . 158 PRO C . 26759 1 700 . 1 1 158 158 PRO CA C 13 62.288 0.014 . 1 . 1548 . . 158 PRO CA . 26759 1 701 . 1 1 158 158 PRO CB C 13 32.838 0.022 . 1 . 1442 . . 158 PRO CB . 26759 1 702 . 1 1 159 159 ASN H H 1 7.290 0.002 . 1 . 618 . . 159 ASN H . 26759 1 703 . 1 1 159 159 ASN C C 13 175.818 0.115 . 1 . 1754 . . 159 ASN C . 26759 1 704 . 1 1 159 159 ASN CA C 13 51.770 0.014 . 1 . 1353 . . 159 ASN CA . 26759 1 705 . 1 1 159 159 ASN CB C 13 38.517 0.022 . 1 . 1289 . . 159 ASN CB . 26759 1 706 . 1 1 159 159 ASN N N 15 111.854 0.054 . 1 . 619 . . 159 ASN N . 26759 1 707 . 1 1 160 160 CYS H H 1 8.624 0.002 . 1 . 852 . . 160 CYS H . 26759 1 708 . 1 1 160 160 CYS C C 13 173.396 0.115 . 1 . 1755 . . 160 CYS C . 26759 1 709 . 1 1 160 160 CYS CA C 13 57.615 0.014 . 1 . 1028 . . 160 CYS CA . 26759 1 710 . 1 1 160 160 CYS CB C 13 31.839 0.022 . 1 . 1027 . . 160 CYS CB . 26759 1 711 . 1 1 160 160 CYS N N 15 119.039 0.054 . 1 . 853 . . 160 CYS N . 26759 1 712 . 1 1 161 161 GLU H H 1 9.480 0.002 . 1 . 474 . . 161 GLU H . 26759 1 713 . 1 1 161 161 GLU C C 13 174.709 0.115 . 1 . 1756 . . 161 GLU C . 26759 1 714 . 1 1 161 161 GLU CA C 13 53.426 0.014 . 1 . 1024 . . 161 GLU CA . 26759 1 715 . 1 1 161 161 GLU CB C 13 32.030 0.022 . 1 . 1025 . . 161 GLU CB . 26759 1 716 . 1 1 161 161 GLU N N 15 117.943 0.054 . 1 . 475 . . 161 GLU N . 26759 1 717 . 1 1 162 162 THR H H 1 8.564 0.002 . 1 . 751 . . 162 THR H . 26759 1 718 . 1 1 162 162 THR C C 13 175.429 0.115 . 1 . 1757 . . 162 THR C . 26759 1 719 . 1 1 162 162 THR CA C 13 58.670 0.014 . 1 . 1022 . . 162 THR CA . 26759 1 720 . 1 1 162 162 THR CB C 13 69.316 0.022 . 1 . 1021 . . 162 THR CB . 26759 1 721 . 1 1 162 162 THR N N 15 112.865 0.054 . 1 . 752 . . 162 THR N . 26759 1 722 . 1 1 163 163 LEU H H 1 9.270 0.002 . 1 . 840 . . 163 LEU H . 26759 1 723 . 1 1 163 163 LEU C C 13 176.515 0.115 . 1 . 1758 . . 163 LEU C . 26759 1 724 . 1 1 163 163 LEU CA C 13 53.930 0.014 . 1 . 1019 . . 163 LEU CA . 26759 1 725 . 1 1 163 163 LEU CB C 13 45.733 0.022 . 1 . 1018 . . 163 LEU CB . 26759 1 726 . 1 1 163 163 LEU N N 15 122.846 0.054 . 1 . 841 . . 163 LEU N . 26759 1 727 . 1 1 164 164 LYS H H 1 8.730 0.002 . 1 . 910 . . 164 LYS H . 26759 1 728 . 1 1 164 164 LYS C C 13 175.639 0.115 . 1 . 1759 . . 164 LYS C . 26759 1 729 . 1 1 164 164 LYS CA C 13 55.956 0.014 . 1 . 1016 . . 164 LYS CA . 26759 1 730 . 1 1 164 164 LYS CB C 13 31.005 0.022 . 1 . 1017 . . 164 LYS CB . 26759 1 731 . 1 1 164 164 LYS N N 15 124.396 0.054 . 1 . 911 . . 164 LYS N . 26759 1 732 . 1 1 165 165 TRP H H 1 8.953 0.002 . 1 . 492 . . 165 TRP H . 26759 1 733 . 1 1 165 165 TRP CA C 13 55.886 0.014 . 1 . 1333 . . 165 TRP CA . 26759 1 734 . 1 1 165 165 TRP CB C 13 31.571 0.022 . 1 . 1241 . . 165 TRP CB . 26759 1 735 . 1 1 165 165 TRP N N 15 127.395 0.054 . 1 . 493 . . 165 TRP N . 26759 1 736 . 1 1 166 166 THR C C 13 174.728 0.115 . 1 . 1760 . . 166 THR C . 26759 1 737 . 1 1 166 166 THR CA C 13 62.144 0.014 . 1 . 1527 . . 166 THR CA . 26759 1 738 . 1 1 166 166 THR CB C 13 67.719 0.022 . 1 . 1462 . . 166 THR CB . 26759 1 739 . 1 1 167 167 VAL H H 1 9.348 0.002 . 1 . 890 . . 167 VAL H . 26759 1 740 . 1 1 167 167 VAL C C 13 175.206 0.115 . 1 . 1761 . . 167 VAL C . 26759 1 741 . 1 1 167 167 VAL CA C 13 60.560 0.014 . 1 . 1337 . . 167 VAL CA . 26759 1 742 . 1 1 167 167 VAL CB C 13 33.115 0.022 . 1 . 1315 . . 167 VAL CB . 26759 1 743 . 1 1 167 167 VAL N N 15 130.137 0.054 . 1 . 891 . . 167 VAL N . 26759 1 744 . 1 1 168 168 ASN H H 1 9.876 0.002 . 1 . 753 . . 168 ASN H . 26759 1 745 . 1 1 168 168 ASN C C 13 176.226 0.115 . 1 . 1762 . . 168 ASN C . 26759 1 746 . 1 1 168 168 ASN CA C 13 53.929 0.014 . 1 . 1412 . . 168 ASN CA . 26759 1 747 . 1 1 168 168 ASN CB C 13 37.321 0.022 . 1 . 1302 . . 168 ASN CB . 26759 1 748 . 1 1 168 168 ASN N N 15 129.817 0.054 . 1 . 754 . . 168 ASN N . 26759 1 749 . 1 1 169 169 GLY H H 1 9.256 0.002 . 1 . 636 . . 169 GLY H . 26759 1 750 . 1 1 169 169 GLY C C 13 172.465 0.115 . 1 . 1764 . . 169 GLY C . 26759 1 751 . 1 1 169 169 GLY CA C 13 45.210 0.014 . 1 . 1015 . . 169 GLY CA . 26759 1 752 . 1 1 169 169 GLY N N 15 104.329 0.054 . 1 . 637 . . 169 GLY N . 26759 1 753 . 1 1 170 170 ASP H H 1 7.759 0.002 . 1 . 638 . . 170 ASP H . 26759 1 754 . 1 1 170 170 ASP C C 13 174.906 0.115 . 1 . 1765 . . 170 ASP C . 26759 1 755 . 1 1 170 170 ASP CA C 13 51.549 0.014 . 1 . 1012 . . 170 ASP CA . 26759 1 756 . 1 1 170 170 ASP CB C 13 44.275 0.022 . 1 . 1013 . . 170 ASP CB . 26759 1 757 . 1 1 170 170 ASP N N 15 119.773 0.054 . 1 . 639 . . 170 ASP N . 26759 1 758 . 1 1 171 171 THR H H 1 8.952 0.002 . 1 . 882 . . 171 THR H . 26759 1 759 . 1 1 171 171 THR C C 13 173.487 0.115 . 1 . 1766 . . 171 THR C . 26759 1 760 . 1 1 171 171 THR CA C 13 62.610 0.014 . 1 . 1009 . . 171 THR CA . 26759 1 761 . 1 1 171 171 THR CB C 13 68.950 0.022 . 1 . 1010 . . 171 THR CB . 26759 1 762 . 1 1 171 171 THR N N 15 120.243 0.054 . 1 . 883 . . 171 THR N . 26759 1 763 . 1 1 172 172 ARG H H 1 8.979 0.002 . 1 . 862 . . 172 ARG H . 26759 1 764 . 1 1 172 172 ARG C C 13 174.835 0.115 . 1 . 1767 . . 172 ARG C . 26759 1 765 . 1 1 172 172 ARG CA C 13 52.798 0.014 . 1 . 1005 . . 172 ARG CA . 26759 1 766 . 1 1 172 172 ARG CB C 13 34.073 0.022 . 1 . 1006 . . 172 ARG CB . 26759 1 767 . 1 1 172 172 ARG N N 15 124.673 0.054 . 1 . 863 . . 172 ARG N . 26759 1 768 . 1 1 173 173 VAL H H 1 9.383 0.002 . 1 . 560 . . 173 VAL H . 26759 1 769 . 1 1 173 173 VAL C C 13 175.691 0.115 . 1 . 1768 . . 173 VAL C . 26759 1 770 . 1 1 173 173 VAL CA C 13 62.083 0.014 . 1 . 1004 . . 173 VAL CA . 26759 1 771 . 1 1 173 173 VAL CB C 13 31.253 0.022 . 1 . 1002 . . 173 VAL CB . 26759 1 772 . 1 1 173 173 VAL N N 15 122.018 0.054 . 1 . 561 . . 173 VAL N . 26759 1 773 . 1 1 174 174 GLY H H 1 9.531 0.002 . 1 . 834 . . 174 GLY H . 26759 1 774 . 1 1 174 174 GLY C C 13 170.907 0.115 . 1 . 1770 . . 174 GLY C . 26759 1 775 . 1 1 174 174 GLY CA C 13 43.988 0.014 . 1 . 999 . . 174 GLY CA . 26759 1 776 . 1 1 174 174 GLY N N 15 114.841 0.054 . 1 . 835 . . 174 GLY N . 26759 1 777 . 1 1 175 175 LEU H H 1 8.266 0.002 . 1 . 996 . . 175 LEU H . 26759 1 778 . 1 1 175 175 LEU C C 13 175.279 0.115 . 1 . 1771 . . 175 LEU C . 26759 1 779 . 1 1 175 175 LEU CA C 13 52.016 0.014 . 1 . 994 . . 175 LEU CA . 26759 1 780 . 1 1 175 175 LEU CB C 13 41.837 0.022 . 1 . 995 . . 175 LEU CB . 26759 1 781 . 1 1 175 175 LEU N N 15 123.083 0.054 . 1 . 997 . . 175 LEU N . 26759 1 782 . 1 1 176 176 PHE H H 1 9.113 0.002 . 1 . 508 . . 176 PHE H . 26759 1 783 . 1 1 176 176 PHE C C 13 175.651 0.115 . 1 . 1772 . . 176 PHE C . 26759 1 784 . 1 1 176 176 PHE CA C 13 55.095 0.014 . 1 . 990 . . 176 PHE CA . 26759 1 785 . 1 1 176 176 PHE CB C 13 42.506 0.022 . 1 . 991 . . 176 PHE CB . 26759 1 786 . 1 1 176 176 PHE N N 15 120.805 0.054 . 1 . 509 . . 176 PHE N . 26759 1 787 . 1 1 177 177 ALA H H 1 8.678 0.002 . 1 . 690 . . 177 ALA H . 26759 1 788 . 1 1 177 177 ALA C C 13 181.294 0.115 . 1 . 1773 . . 177 ALA C . 26759 1 789 . 1 1 177 177 ALA CA C 13 52.420 0.014 . 1 . 985 . . 177 ALA CA . 26759 1 790 . 1 1 177 177 ALA CB C 13 18.646 0.022 . 1 . 987 . . 177 ALA CB . 26759 1 791 . 1 1 177 177 ALA N N 15 125.874 0.054 . 1 . 691 . . 177 ALA N . 26759 1 792 . 1 1 178 178 VAL H H 1 9.580 0.002 . 1 . 680 . . 178 VAL H . 26759 1 793 . 1 1 178 178 VAL C C 13 174.423 0.115 . 1 . 1693 . . 178 VAL C . 26759 1 794 . 1 1 178 178 VAL CA C 13 61.079 0.014 . 1 . 984 . . 178 VAL CA . 26759 1 795 . 1 1 178 178 VAL CB C 13 30.888 0.022 . 1 . 986 . . 178 VAL CB . 26759 1 796 . 1 1 178 178 VAL N N 15 121.101 0.054 . 1 . 681 . . 178 VAL N . 26759 1 797 . 1 1 179 179 CYS H H 1 7.959 0.002 . 1 . 590 . . 179 CYS H . 26759 1 798 . 1 1 179 179 CYS C C 13 170.976 0.115 . 1 . 1694 . . 179 CYS C . 26759 1 799 . 1 1 179 179 CYS CA C 13 53.865 0.014 . 1 . 1379 . . 179 CYS CA . 26759 1 800 . 1 1 179 179 CYS CB C 13 30.510 0.022 . 1 . 1297 . . 179 CYS CB . 26759 1 801 . 1 1 179 179 CYS N N 15 116.487 0.054 . 1 . 591 . . 179 CYS N . 26759 1 802 . 1 1 180 180 ASP H H 1 8.369 0.002 . 1 . 763 . . 180 ASP H . 26759 1 803 . 1 1 180 180 ASP C C 13 177.131 0.115 . 1 . 1695 . . 180 ASP C . 26759 1 804 . 1 1 180 180 ASP CA C 13 54.600 0.014 . 1 . 1321 . . 180 ASP CA . 26759 1 805 . 1 1 180 180 ASP CB C 13 39.558 0.022 . 1 . 1299 . . 180 ASP CB . 26759 1 806 . 1 1 180 180 ASP N N 15 118.941 0.054 . 1 . 764 . . 180 ASP N . 26759 1 807 . 1 1 181 181 ILE H H 1 9.227 0.002 . 1 . 844 . . 181 ILE H . 26759 1 808 . 1 1 181 181 ILE CA C 13 58.476 0.014 . 1 . 1351 . . 181 ILE CA . 26759 1 809 . 1 1 181 181 ILE CB C 13 40.662 0.022 . 1 . 1251 . . 181 ILE CB . 26759 1 810 . 1 1 181 181 ILE N N 15 124.688 0.054 . 1 . 845 . . 181 ILE N . 26759 1 811 . 1 1 182 182 PRO C C 13 177.591 0.115 . 1 . 1774 . . 182 PRO C . 26759 1 812 . 1 1 182 182 PRO CA C 13 61.933 0.014 . 1 . 1540 . . 182 PRO CA . 26759 1 813 . 1 1 182 182 PRO CB C 13 31.416 0.022 . 1 . 1431 . . 182 PRO CB . 26759 1 814 . 1 1 183 183 ALA H H 1 9.246 0.002 . 1 . 701 . . 183 ALA H . 26759 1 815 . 1 1 183 183 ALA CA C 13 53.196 0.014 . 1 . 1345 . . 183 ALA CA . 26759 1 816 . 1 1 183 183 ALA CB C 13 17.253 0.022 . 1 . 1228 . . 183 ALA CB . 26759 1 817 . 1 1 183 183 ALA N N 15 127.256 0.054 . 1 . 702 . . 183 ALA N . 26759 1 818 . 1 1 185 185 THR C C 13 174.060 0.115 . 1 . 1775 . . 185 THR C . 26759 1 819 . 1 1 185 185 THR CA C 13 62.479 0.014 . 1 . 1550 . . 185 THR CA . 26759 1 820 . 1 1 185 185 THR CB C 13 68.514 0.022 . 1 . 1455 . . 185 THR CB . 26759 1 821 . 1 1 186 186 GLU H H 1 8.858 0.002 . 1 . 662 . . 186 GLU H . 26759 1 822 . 1 1 186 186 GLU C C 13 176.139 0.115 . 1 . 1776 . . 186 GLU C . 26759 1 823 . 1 1 186 186 GLU CA C 13 57.229 0.014 . 1 . 1362 . . 186 GLU CA . 26759 1 824 . 1 1 186 186 GLU CB C 13 28.115 0.022 . 1 . 1316 . . 186 GLU CB . 26759 1 825 . 1 1 186 186 GLU N N 15 127.981 0.054 . 1 . 663 . . 186 GLU N . 26759 1 826 . 1 1 187 187 LEU H H 1 9.257 0.002 . 1 . 614 . . 187 LEU H . 26759 1 827 . 1 1 187 187 LEU C C 13 175.975 0.115 . 1 . 1777 . . 187 LEU C . 26759 1 828 . 1 1 187 187 LEU CA C 13 53.739 0.014 . 1 . 983 . . 187 LEU CA . 26759 1 829 . 1 1 187 187 LEU CB C 13 41.788 0.022 . 1 . 982 . . 187 LEU CB . 26759 1 830 . 1 1 187 187 LEU N N 15 131.309 0.054 . 1 . 615 . . 187 LEU N . 26759 1 831 . 1 1 188 188 THR H H 1 9.365 0.002 . 1 . 490 . . 188 THR H . 26759 1 832 . 1 1 188 188 THR C C 13 173.017 0.115 . 1 . 1779 . . 188 THR C . 26759 1 833 . 1 1 188 188 THR CA C 13 58.544 0.014 . 1 . 978 . . 188 THR CA . 26759 1 834 . 1 1 188 188 THR CB C 13 72.979 0.022 . 1 . 979 . . 188 THR CB . 26759 1 835 . 1 1 188 188 THR N N 15 116.946 0.054 . 1 . 491 . . 188 THR N . 26759 1 836 . 1 1 189 189 PHE H H 1 8.252 0.002 . 1 . 721 . . 189 PHE H . 26759 1 837 . 1 1 189 189 PHE C C 13 172.458 0.115 . 1 . 1787 . . 189 PHE C . 26759 1 838 . 1 1 189 189 PHE CA C 13 55.281 0.014 . 1 . 975 . . 189 PHE CA . 26759 1 839 . 1 1 189 189 PHE CB C 13 41.598 0.022 . 1 . 974 . . 189 PHE CB . 26759 1 840 . 1 1 189 189 PHE N N 15 114.004 0.054 . 1 . 722 . . 189 PHE N . 26759 1 841 . 1 1 190 190 ASN H H 1 9.033 0.002 . 1 . 806 . . 190 ASN H . 26759 1 842 . 1 1 190 190 ASN C C 13 177.132 0.115 . 1 . 1788 . . 190 ASN C . 26759 1 843 . 1 1 190 190 ASN CA C 13 51.631 0.014 . 1 . 972 . . 190 ASN CA . 26759 1 844 . 1 1 190 190 ASN CB C 13 37.978 0.022 . 1 . 973 . . 190 ASN CB . 26759 1 845 . 1 1 190 190 ASN N N 15 119.585 0.054 . 1 . 807 . . 190 ASN N . 26759 1 846 . 1 1 191 191 TYR H H 1 12.337 0.002 . 1 . 566 . . 191 TYR H . 26759 1 847 . 1 1 191 191 TYR C C 13 177.891 0.115 . 1 . 1789 . . 191 TYR C . 26759 1 848 . 1 1 191 191 TYR CA C 13 57.045 0.014 . 1 . 1329 . . 191 TYR CA . 26759 1 849 . 1 1 191 191 TYR CB C 13 35.890 0.022 . 1 . 1237 . . 191 TYR CB . 26759 1 850 . 1 1 191 191 TYR N N 15 133.129 0.054 . 1 . 567 . . 191 TYR N . 26759 1 851 . 1 1 192 192 ASN H H 1 8.876 0.002 . 1 . 584 . . 192 ASN H . 26759 1 852 . 1 1 192 192 ASN C C 13 176.021 0.115 . 1 . 1790 . . 192 ASN C . 26759 1 853 . 1 1 192 192 ASN CA C 13 55.348 0.014 . 1 . 1388 . . 192 ASN CA . 26759 1 854 . 1 1 192 192 ASN CB C 13 38.103 0.022 . 1 . 1307 . . 192 ASN CB . 26759 1 855 . 1 1 192 192 ASN N N 15 116.424 0.054 . 1 . 585 . . 192 ASN N . 26759 1 856 . 1 1 193 193 LEU H H 1 7.904 0.002 . 1 . 468 . . 193 LEU H . 26759 1 857 . 1 1 193 193 LEU C C 13 178.189 0.115 . 1 . 1791 . . 193 LEU C . 26759 1 858 . 1 1 193 193 LEU CA C 13 56.258 0.014 . 1 . 1330 . . 193 LEU CA . 26759 1 859 . 1 1 193 193 LEU CB C 13 40.363 0.022 . 1 . 1244 . . 193 LEU CB . 26759 1 860 . 1 1 193 193 LEU N N 15 119.332 0.054 . 1 . 469 . . 193 LEU N . 26759 1 861 . 1 1 194 194 ASP H H 1 8.425 0.002 . 1 . 794 . . 194 ASP H . 26759 1 862 . 1 1 194 194 ASP C C 13 176.344 0.115 . 1 . 1793 . . 194 ASP C . 26759 1 863 . 1 1 194 194 ASP CA C 13 55.277 0.014 . 1 . 1407 . . 194 ASP CA . 26759 1 864 . 1 1 194 194 ASP CB C 13 43.082 0.022 . 1 . 1226 . . 194 ASP CB . 26759 1 865 . 1 1 194 194 ASP N N 15 117.446 0.054 . 1 . 795 . . 194 ASP N . 26759 1 866 . 1 1 195 195 CYS H H 1 7.958 0.002 . 1 . 1220 . . 195 CYS H . 26759 1 867 . 1 1 195 195 CYS C C 13 174.706 0.115 . 1 . 1794 . . 195 CYS C . 26759 1 868 . 1 1 195 195 CYS CA C 13 58.034 0.014 . 1 . 1395 . . 195 CYS CA . 26759 1 869 . 1 1 195 195 CYS CB C 13 28.066 0.022 . 1 . 1280 . . 195 CYS CB . 26759 1 870 . 1 1 195 195 CYS N N 15 117.733 0.054 . 1 . 1221 . . 195 CYS N . 26759 1 871 . 1 1 196 196 LEU H H 1 7.172 0.002 . 1 . 624 . . 196 LEU H . 26759 1 872 . 1 1 196 196 LEU C C 13 176.517 0.115 . 1 . 1795 . . 196 LEU C . 26759 1 873 . 1 1 196 196 LEU CA C 13 54.346 0.014 . 1 . 1347 . . 196 LEU CA . 26759 1 874 . 1 1 196 196 LEU CB C 13 43.506 0.022 . 1 . 1259 . . 196 LEU CB . 26759 1 875 . 1 1 196 196 LEU N N 15 122.068 0.054 . 1 . 625 . . 196 LEU N . 26759 1 876 . 1 1 197 197 GLY H H 1 8.213 0.002 . 1 . 616 . . 197 GLY H . 26759 1 877 . 1 1 197 197 GLY C C 13 174.335 0.115 . 1 . 1796 . . 197 GLY C . 26759 1 878 . 1 1 197 197 GLY CA C 13 44.446 0.014 . 1 . 1328 . . 197 GLY CA . 26759 1 879 . 1 1 197 197 GLY N N 15 106.885 0.054 . 1 . 617 . . 197 GLY N . 26759 1 880 . 1 1 198 198 ASN H H 1 7.749 0.002 . 1 . 964 . . 198 ASN H . 26759 1 881 . 1 1 198 198 ASN C C 13 175.723 0.115 . 1 . 1797 . . 198 ASN C . 26759 1 882 . 1 1 198 198 ASN CA C 13 53.191 0.014 . 1 . 961 . . 198 ASN CA . 26759 1 883 . 1 1 198 198 ASN CB C 13 39.011 0.022 . 1 . 963 . . 198 ASN CB . 26759 1 884 . 1 1 198 198 ASN N N 15 115.647 0.054 . 1 . 965 . . 198 ASN N . 26759 1 885 . 1 1 199 199 GLU H H 1 8.969 0.002 . 1 . 592 . . 199 GLU H . 26759 1 886 . 1 1 199 199 GLU C C 13 176.827 0.115 . 1 . 1798 . . 199 GLU C . 26759 1 887 . 1 1 199 199 GLU CA C 13 58.919 0.014 . 1 . 960 . . 199 GLU CA . 26759 1 888 . 1 1 199 199 GLU CB C 13 28.057 0.022 . 1 . 962 . . 199 GLU CB . 26759 1 889 . 1 1 199 199 GLU N N 15 121.281 0.054 . 1 . 593 . . 199 GLU N . 26759 1 890 . 1 1 200 200 LYS H H 1 8.347 0.002 . 1 . 892 . . 200 LYS H . 26759 1 891 . 1 1 200 200 LYS C C 13 176.406 0.115 . 1 . 1799 . . 200 LYS C . 26759 1 892 . 1 1 200 200 LYS CA C 13 55.665 0.014 . 1 . 1372 . . 200 LYS CA . 26759 1 893 . 1 1 200 200 LYS CB C 13 30.430 0.022 . 1 . 1286 . . 200 LYS CB . 26759 1 894 . 1 1 200 200 LYS N N 15 117.990 0.054 . 1 . 893 . . 200 LYS N . 26759 1 895 . 1 1 201 201 THR H H 1 7.874 0.002 . 1 . 574 . . 201 THR H . 26759 1 896 . 1 1 201 201 THR C C 13 173.519 0.115 . 1 . 1800 . . 201 THR C . 26759 1 897 . 1 1 201 201 THR CA C 13 62.715 0.014 . 1 . 957 . . 201 THR CA . 26759 1 898 . 1 1 201 201 THR CB C 13 69.014 0.022 . 1 . 956 . . 201 THR CB . 26759 1 899 . 1 1 201 201 THR N N 15 119.555 0.054 . 1 . 575 . . 201 THR N . 26759 1 900 . 1 1 202 202 VAL H H 1 8.409 0.002 . 1 . 674 . . 202 VAL H . 26759 1 901 . 1 1 202 202 VAL C C 13 175.174 0.115 . 1 . 1801 . . 202 VAL C . 26759 1 902 . 1 1 202 202 VAL CA C 13 62.712 0.014 . 1 . 954 . . 202 VAL CA . 26759 1 903 . 1 1 202 202 VAL CB C 13 31.352 0.022 . 1 . 953 . . 202 VAL CB . 26759 1 904 . 1 1 202 202 VAL N N 15 128.851 0.054 . 1 . 675 . . 202 VAL N . 26759 1 905 . 1 1 203 203 CYS H H 1 7.331 0.002 . 1 . 602 . . 203 CYS H . 26759 1 906 . 1 1 203 203 CYS C C 13 176.499 0.115 . 1 . 1802 . . 203 CYS C . 26759 1 907 . 1 1 203 203 CYS CA C 13 59.288 0.014 . 1 . 950 . . 203 CYS CA . 26759 1 908 . 1 1 203 203 CYS CB C 13 30.475 0.022 . 1 . 951 . . 203 CYS CB . 26759 1 909 . 1 1 203 203 CYS N N 15 128.316 0.054 . 1 . 603 . . 203 CYS N . 26759 1 910 . 1 1 204 204 ARG H H 1 10.458 0.002 . 1 . 672 . . 204 ARG H . 26759 1 911 . 1 1 204 204 ARG C C 13 177.740 0.115 . 1 . 1803 . . 204 ARG C . 26759 1 912 . 1 1 204 204 ARG CA C 13 53.175 0.014 . 1 . 948 . . 204 ARG CA . 26759 1 913 . 1 1 204 204 ARG CB C 13 28.019 0.022 . 1 . 947 . . 204 ARG CB . 26759 1 914 . 1 1 204 204 ARG N N 15 130.880 0.054 . 1 . 673 . . 204 ARG N . 26759 1 915 . 1 1 205 205 CYS H H 1 10.050 0.002 . 1 . 620 . . 205 CYS H . 26759 1 916 . 1 1 205 205 CYS C C 13 177.569 0.115 . 1 . 1804 . . 205 CYS C . 26759 1 917 . 1 1 205 205 CYS CA C 13 61.646 0.014 . 1 . 944 . . 205 CYS CA . 26759 1 918 . 1 1 205 205 CYS CB C 13 29.514 0.022 . 1 . 945 . . 205 CYS CB . 26759 1 919 . 1 1 205 205 CYS N N 15 125.901 0.054 . 1 . 621 . . 205 CYS N . 26759 1 920 . 1 1 206 206 GLY H H 1 9.249 0.002 . 1 . 476 . . 206 GLY H . 26759 1 921 . 1 1 206 206 GLY C C 13 173.883 0.115 . 1 . 1805 . . 206 GLY C . 26759 1 922 . 1 1 206 206 GLY CA C 13 45.505 0.014 . 1 . 941 . . 206 GLY CA . 26759 1 923 . 1 1 206 206 GLY N N 15 113.785 0.054 . 1 . 477 . . 206 GLY N . 26759 1 924 . 1 1 207 207 ALA H H 1 9.248 0.002 . 1 . 765 . . 207 ALA H . 26759 1 925 . 1 1 207 207 ALA CA C 13 52.141 0.014 . 1 . 940 . . 207 ALA CA . 26759 1 926 . 1 1 207 207 ALA CB C 13 20.272 0.022 . 1 . 942 . . 207 ALA CB . 26759 1 927 . 1 1 207 207 ALA N N 15 127.707 0.054 . 1 . 766 . . 207 ALA N . 26759 1 928 . 1 1 208 208 SER C C 13 174.698 0.115 . 1 . 1806 . . 208 SER C . 26759 1 929 . 1 1 208 208 SER CA C 13 60.529 0.014 . 1 . 938 . . 208 SER CA . 26759 1 930 . 1 1 208 208 SER CB C 13 61.938 0.022 . 1 . 939 . . 208 SER CB . 26759 1 931 . 1 1 209 209 ASN H H 1 8.112 0.002 . 1 . 828 . . 209 ASN H . 26759 1 932 . 1 1 209 209 ASN C C 13 174.306 0.115 . 1 . 1807 . . 209 ASN C . 26759 1 933 . 1 1 209 209 ASN CA C 13 51.502 0.014 . 1 . 936 . . 209 ASN CA . 26759 1 934 . 1 1 209 209 ASN CB C 13 36.757 0.022 . 1 . 935 . . 209 ASN CB . 26759 1 935 . 1 1 209 209 ASN N N 15 118.282 0.054 . 1 . 829 . . 209 ASN N . 26759 1 936 . 1 1 210 210 CYS H H 1 6.998 0.002 . 1 . 931 . . 210 CYS H . 26759 1 937 . 1 1 210 210 CYS C C 13 177.776 0.115 . 1 . 1808 . . 210 CYS C . 26759 1 938 . 1 1 210 210 CYS CA C 13 58.342 0.014 . 1 . 929 . . 210 CYS CA . 26759 1 939 . 1 1 210 210 CYS CB C 13 28.765 0.022 . 1 . 930 . . 210 CYS CB . 26759 1 940 . 1 1 210 210 CYS N N 15 122.071 0.054 . 1 . 932 . . 210 CYS N . 26759 1 941 . 1 1 211 211 SER H H 1 9.735 0.002 . 1 . 713 . . 211 SER H . 26759 1 942 . 1 1 211 211 SER C C 13 175.748 0.115 . 1 . 1809 . . 211 SER C . 26759 1 943 . 1 1 211 211 SER CA C 13 59.529 0.014 . 1 . 925 . . 211 SER CA . 26759 1 944 . 1 1 211 211 SER CB C 13 63.493 0.022 . 1 . 926 . . 211 SER CB . 26759 1 945 . 1 1 211 211 SER N N 15 130.610 0.054 . 1 . 714 . . 211 SER N . 26759 1 946 . 1 1 212 212 GLY H H 1 9.809 0.002 . 1 . 755 . . 212 GLY H . 26759 1 947 . 1 1 212 212 GLY C C 13 174.056 0.115 . 1 . 1810 . . 212 GLY C . 26759 1 948 . 1 1 212 212 GLY CA C 13 44.295 0.014 . 1 . 923 . . 212 GLY CA . 26759 1 949 . 1 1 212 212 GLY N N 15 116.681 0.054 . 1 . 756 . . 212 GLY N . 26759 1 950 . 1 1 213 213 PHE H H 1 7.818 0.002 . 1 . 866 . . 213 PHE H . 26759 1 951 . 1 1 213 213 PHE C C 13 173.734 0.115 . 1 . 1811 . . 213 PHE C . 26759 1 952 . 1 1 213 213 PHE CA C 13 56.317 0.014 . 1 . 919 . . 213 PHE CA . 26759 1 953 . 1 1 213 213 PHE CB C 13 42.381 0.022 . 1 . 920 . . 213 PHE CB . 26759 1 954 . 1 1 213 213 PHE N N 15 120.240 0.054 . 1 . 867 . . 213 PHE N . 26759 1 955 . 1 1 214 214 LEU H H 1 8.343 0.002 . 1 . 552 . . 214 LEU H . 26759 1 956 . 1 1 214 214 LEU C C 13 175.429 0.115 . 1 . 1812 . . 214 LEU C . 26759 1 957 . 1 1 214 214 LEU CA C 13 54.557 0.014 . 1 . 917 . . 214 LEU CA . 26759 1 958 . 1 1 214 214 LEU CB C 13 39.875 0.022 . 1 . 918 . . 214 LEU CB . 26759 1 959 . 1 1 214 214 LEU N N 15 122.054 0.054 . 1 . 553 . . 214 LEU N . 26759 1 960 . 1 1 215 215 GLY H H 1 7.251 0.002 . 1 . 699 . . 215 GLY H . 26759 1 961 . 1 1 215 215 GLY CA C 13 45.751 0.014 . 1 . 916 . . 215 GLY CA . 26759 1 962 . 1 1 215 215 GLY N N 15 114.748 0.054 . 1 . 700 . . 215 GLY N . 26759 1 stop_ save_