data_26569 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26569 _Entry.Title ; Backbone chemical shift assignments for TCR_3c8m_t55a ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-05-01 _Entry.Accession_date 2015-05-01 _Entry.Last_release_date 2016-01-06 _Entry.Original_release_date 2016-01-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yanan He . . . 26569 2 Sneha Rangarajan . . . 26569 3 Melissa Kerzic . . . 26569 4 Ming Luo . . . 26569 5 Yihong Chen . . . 26569 6 'Dario A.' Vignali . . . 26569 7 'Roy A' Mariuzza . . . 26569 8 John Orban . . . 26569 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26569 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 624 26569 '15N chemical shifts' 200 26569 '1H chemical shifts' 200 26569 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 1 . . 2016-01-06 . original BMRB . 26569 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26569 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26109064 _Citation.Full_citation . _Citation.Title ; Identification of the Docking Site for CD3 on the T Cell Receptor Beta Chain by Solution NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 290 _Citation.Journal_issue 32 _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 19796 _Citation.Page_last 19805 _Citation.Year 2015 _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.Entry_ID _Citation_author.Citation_ID 1 Yanan He . . . 26569 1 2 Sneha Rangarajan . . . 26569 1 3 Melissa Kerzic . . . 26569 1 4 Ming Luo . . . 26569 1 5 Yihong Chen . . . 26569 1 6 'Dario A.' Vignali . . . 26569 1 7 'Roy A' Mariuzza . . . 26569 1 8 John Orban . . . 26569 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26569 _Assembly.ID 1 _Assembly.Name 'TCR 3c8m t55a, TCR alpha' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'TCR 3c8m t55a, TCR alpha' 1 $TCR_beta3c8m_t55a A . yes native no no . . . 26569 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 21 21 SG . 1 . 1 CYS 92 92 SG . . . . . . . . . . 26569 1 2 disulfide single . 1 . 1 CYS 145 145 SG . 1 . 1 CYS 210 210 SG . . . . . . . . . . 26569 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TCR_beta3c8m_t55a _Entity.Sf_category entity _Entity.Sf_framecode TCR_beta3c8m_t55a _Entity.Entry_ID 26569 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TCR_beta_alpha _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; VVSQHPSWVIAKSGTSVKIE CRSLDFQATTMFWYRQFPKQ SLMLMATSNEGSKAAYEQGV EKDKFLINHASLTLSTLTVT SAHPEDSSFYICSARGGSYN SPLHFGNGTRLTVTEDLKNV FPPEVAVFEPSEAEISHTQK ATLVCLATGFYPDHVELSWW VNGKEVHSGVCTDPQPLKEQ PALNDSRYALSSRLRVSATF WQNPRNHFRCQVQFYGLSEN DEWTQDRAKPVTQIVSAEAW GRAD ; _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 244 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . VAL . 26569 1 2 . VAL . 26569 1 3 . SER . 26569 1 4 . GLN . 26569 1 5 . HIS . 26569 1 6 . PRO . 26569 1 7 . SER . 26569 1 8 . TRP . 26569 1 9 . VAL . 26569 1 10 . ILE . 26569 1 11 . ALA . 26569 1 12 . LYS . 26569 1 13 . SER . 26569 1 14 . GLY . 26569 1 15 . THR . 26569 1 16 . SER . 26569 1 17 . VAL . 26569 1 18 . LYS . 26569 1 19 . ILE . 26569 1 20 . GLU . 26569 1 21 . CYS . 26569 1 22 . ARG . 26569 1 23 . SER . 26569 1 24 . LEU . 26569 1 25 . ASP . 26569 1 26 . PHE . 26569 1 27 . GLN . 26569 1 28 . ALA . 26569 1 29 . THR . 26569 1 30 . THR . 26569 1 31 . MET . 26569 1 32 . PHE . 26569 1 33 . TRP . 26569 1 34 . TYR . 26569 1 35 . ARG . 26569 1 36 . GLN . 26569 1 37 . PHE . 26569 1 38 . PRO . 26569 1 39 . LYS . 26569 1 40 . GLN . 26569 1 41 . SER . 26569 1 42 . LEU . 26569 1 43 . MET . 26569 1 44 . LEU . 26569 1 45 . MET . 26569 1 46 . ALA . 26569 1 47 . THR . 26569 1 48 . SER . 26569 1 49 . ASN . 26569 1 50 . GLU . 26569 1 51 . GLY . 26569 1 52 . SER . 26569 1 53 . LYS . 26569 1 54 . ALA . 26569 1 55 . ALA . 26569 1 56 . TYR . 26569 1 57 . GLU . 26569 1 58 . GLN . 26569 1 59 . GLY . 26569 1 60 . VAL . 26569 1 61 . GLU . 26569 1 62 . LYS . 26569 1 63 . ASP . 26569 1 64 . LYS . 26569 1 65 . PHE . 26569 1 66 . LEU . 26569 1 67 . ILE . 26569 1 68 . ASN . 26569 1 69 . HIS . 26569 1 70 . ALA . 26569 1 71 . SER . 26569 1 72 . LEU . 26569 1 73 . THR . 26569 1 74 . LEU . 26569 1 75 . SER . 26569 1 76 . THR . 26569 1 77 . LEU . 26569 1 78 . THR . 26569 1 79 . VAL . 26569 1 80 . THR . 26569 1 81 . SER . 26569 1 82 . ALA . 26569 1 83 . HIS . 26569 1 84 . PRO . 26569 1 85 . GLU . 26569 1 86 . ASP . 26569 1 87 . SER . 26569 1 88 . SER . 26569 1 89 . PHE . 26569 1 90 . TYR . 26569 1 91 . ILE . 26569 1 92 . CYS . 26569 1 93 . SER . 26569 1 94 . ALA . 26569 1 95 . ARG . 26569 1 96 . GLY . 26569 1 97 . GLY . 26569 1 98 . SER . 26569 1 99 . TYR . 26569 1 100 . ASN . 26569 1 101 . SER . 26569 1 102 . PRO . 26569 1 103 . LEU . 26569 1 104 . HIS . 26569 1 105 . PHE . 26569 1 106 . GLY . 26569 1 107 . ASN . 26569 1 108 . GLY . 26569 1 109 . THR . 26569 1 110 . ARG . 26569 1 111 . LEU . 26569 1 112 . THR . 26569 1 113 . VAL . 26569 1 114 . THR . 26569 1 115 . GLU . 26569 1 116 . ASP . 26569 1 117 . LEU . 26569 1 118 . LYS . 26569 1 119 . ASN . 26569 1 120 . VAL . 26569 1 121 . PHE . 26569 1 122 . PRO . 26569 1 123 . PRO . 26569 1 124 . GLU . 26569 1 125 . VAL . 26569 1 126 . ALA . 26569 1 127 . VAL . 26569 1 128 . PHE . 26569 1 129 . GLU . 26569 1 130 . PRO . 26569 1 131 . SER . 26569 1 132 . GLU . 26569 1 133 . ALA . 26569 1 134 . GLU . 26569 1 135 . ILE . 26569 1 136 . SER . 26569 1 137 . HIS . 26569 1 138 . THR . 26569 1 139 . GLN . 26569 1 140 . LYS . 26569 1 141 . ALA . 26569 1 142 . THR . 26569 1 143 . LEU . 26569 1 144 . VAL . 26569 1 145 . CYS . 26569 1 146 . LEU . 26569 1 147 . ALA . 26569 1 148 . THR . 26569 1 149 . GLY . 26569 1 150 . PHE . 26569 1 151 . TYR . 26569 1 152 . PRO . 26569 1 153 . ASP . 26569 1 154 . HIS . 26569 1 155 . VAL . 26569 1 156 . GLU . 26569 1 157 . LEU . 26569 1 158 . SER . 26569 1 159 . TRP . 26569 1 160 . TRP . 26569 1 161 . VAL . 26569 1 162 . ASN . 26569 1 163 . GLY . 26569 1 164 . LYS . 26569 1 165 . GLU . 26569 1 166 . VAL . 26569 1 167 . HIS . 26569 1 168 . SER . 26569 1 169 . GLY . 26569 1 170 . VAL . 26569 1 171 . CYS . 26569 1 172 . THR . 26569 1 173 . ASP . 26569 1 174 . PRO . 26569 1 175 . GLN . 26569 1 176 . PRO . 26569 1 177 . LEU . 26569 1 178 . LYS . 26569 1 179 . GLU . 26569 1 180 . GLN . 26569 1 181 . PRO . 26569 1 182 . ALA . 26569 1 183 . LEU . 26569 1 184 . ASN . 26569 1 185 . ASP . 26569 1 186 . SER . 26569 1 187 . ARG . 26569 1 188 . TYR . 26569 1 189 . ALA . 26569 1 190 . LEU . 26569 1 191 . SER . 26569 1 192 . SER . 26569 1 193 . ARG . 26569 1 194 . LEU . 26569 1 195 . ARG . 26569 1 196 . VAL . 26569 1 197 . SER . 26569 1 198 . ALA . 26569 1 199 . THR . 26569 1 200 . PHE . 26569 1 201 . TRP . 26569 1 202 . GLN . 26569 1 203 . ASN . 26569 1 204 . PRO . 26569 1 205 . ARG . 26569 1 206 . ASN . 26569 1 207 . HIS . 26569 1 208 . PHE . 26569 1 209 . ARG . 26569 1 210 . CYS . 26569 1 211 . GLN . 26569 1 212 . VAL . 26569 1 213 . GLN . 26569 1 214 . PHE . 26569 1 215 . TYR . 26569 1 216 . GLY . 26569 1 217 . LEU . 26569 1 218 . SER . 26569 1 219 . GLU . 26569 1 220 . ASN . 26569 1 221 . ASP . 26569 1 222 . GLU . 26569 1 223 . TRP . 26569 1 224 . THR . 26569 1 225 . GLN . 26569 1 226 . ASP . 26569 1 227 . ARG . 26569 1 228 . ALA . 26569 1 229 . LYS . 26569 1 230 . PRO . 26569 1 231 . VAL . 26569 1 232 . THR . 26569 1 233 . GLN . 26569 1 234 . ILE . 26569 1 235 . VAL . 26569 1 236 . SER . 26569 1 237 . ALA . 26569 1 238 . GLU . 26569 1 239 . ALA . 26569 1 240 . TRP . 26569 1 241 . GLY . 26569 1 242 . ARG . 26569 1 243 . ALA . 26569 1 244 . ASP . 26569 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 . VAL 1 1 26569 1 . VAL 2 2 26569 1 . SER 3 3 26569 1 . GLN 4 4 26569 1 . HIS 5 5 26569 1 . PRO 6 6 26569 1 . SER 7 7 26569 1 . TRP 8 8 26569 1 . VAL 9 9 26569 1 . ILE 10 10 26569 1 . ALA 11 11 26569 1 . LYS 12 12 26569 1 . SER 13 13 26569 1 . GLY 14 14 26569 1 . THR 15 15 26569 1 . SER 16 16 26569 1 . VAL 17 17 26569 1 . LYS 18 18 26569 1 . ILE 19 19 26569 1 . GLU 20 20 26569 1 . CYS 21 21 26569 1 . ARG 22 22 26569 1 . SER 23 23 26569 1 . LEU 24 24 26569 1 . ASP 25 25 26569 1 . PHE 26 26 26569 1 . GLN 27 27 26569 1 . ALA 28 28 26569 1 . THR 29 29 26569 1 . THR 30 30 26569 1 . MET 31 31 26569 1 . PHE 32 32 26569 1 . TRP 33 33 26569 1 . TYR 34 34 26569 1 . ARG 35 35 26569 1 . GLN 36 36 26569 1 . PHE 37 37 26569 1 . PRO 38 38 26569 1 . LYS 39 39 26569 1 . GLN 40 40 26569 1 . SER 41 41 26569 1 . LEU 42 42 26569 1 . MET 43 43 26569 1 . LEU 44 44 26569 1 . MET 45 45 26569 1 . ALA 46 46 26569 1 . THR 47 47 26569 1 . SER 48 48 26569 1 . ASN 49 49 26569 1 . GLU 50 50 26569 1 . GLY 51 51 26569 1 . SER 52 52 26569 1 . LYS 53 53 26569 1 . ALA 54 54 26569 1 . ALA 55 55 26569 1 . TYR 56 56 26569 1 . GLU 57 57 26569 1 . GLN 58 58 26569 1 . GLY 59 59 26569 1 . VAL 60 60 26569 1 . GLU 61 61 26569 1 . LYS 62 62 26569 1 . ASP 63 63 26569 1 . LYS 64 64 26569 1 . PHE 65 65 26569 1 . LEU 66 66 26569 1 . ILE 67 67 26569 1 . ASN 68 68 26569 1 . HIS 69 69 26569 1 . ALA 70 70 26569 1 . SER 71 71 26569 1 . LEU 72 72 26569 1 . THR 73 73 26569 1 . LEU 74 74 26569 1 . SER 75 75 26569 1 . THR 76 76 26569 1 . LEU 77 77 26569 1 . THR 78 78 26569 1 . VAL 79 79 26569 1 . THR 80 80 26569 1 . SER 81 81 26569 1 . ALA 82 82 26569 1 . HIS 83 83 26569 1 . PRO 84 84 26569 1 . GLU 85 85 26569 1 . ASP 86 86 26569 1 . SER 87 87 26569 1 . SER 88 88 26569 1 . PHE 89 89 26569 1 . TYR 90 90 26569 1 . ILE 91 91 26569 1 . CYS 92 92 26569 1 . SER 93 93 26569 1 . ALA 94 94 26569 1 . ARG 95 95 26569 1 . GLY 96 96 26569 1 . GLY 97 97 26569 1 . SER 98 98 26569 1 . TYR 99 99 26569 1 . ASN 100 100 26569 1 . SER 101 101 26569 1 . PRO 102 102 26569 1 . LEU 103 103 26569 1 . HIS 104 104 26569 1 . PHE 105 105 26569 1 . GLY 106 106 26569 1 . ASN 107 107 26569 1 . GLY 108 108 26569 1 . THR 109 109 26569 1 . ARG 110 110 26569 1 . LEU 111 111 26569 1 . THR 112 112 26569 1 . VAL 113 113 26569 1 . THR 114 114 26569 1 . GLU 115 115 26569 1 . ASP 116 116 26569 1 . LEU 117 117 26569 1 . LYS 118 118 26569 1 . ASN 119 119 26569 1 . VAL 120 120 26569 1 . PHE 121 121 26569 1 . PRO 122 122 26569 1 . PRO 123 123 26569 1 . GLU 124 124 26569 1 . VAL 125 125 26569 1 . ALA 126 126 26569 1 . VAL 127 127 26569 1 . PHE 128 128 26569 1 . GLU 129 129 26569 1 . PRO 130 130 26569 1 . SER 131 131 26569 1 . GLU 132 132 26569 1 . ALA 133 133 26569 1 . GLU 134 134 26569 1 . ILE 135 135 26569 1 . SER 136 136 26569 1 . HIS 137 137 26569 1 . THR 138 138 26569 1 . GLN 139 139 26569 1 . LYS 140 140 26569 1 . ALA 141 141 26569 1 . THR 142 142 26569 1 . LEU 143 143 26569 1 . VAL 144 144 26569 1 . CYS 145 145 26569 1 . LEU 146 146 26569 1 . ALA 147 147 26569 1 . THR 148 148 26569 1 . GLY 149 149 26569 1 . PHE 150 150 26569 1 . TYR 151 151 26569 1 . PRO 152 152 26569 1 . ASP 153 153 26569 1 . HIS 154 154 26569 1 . VAL 155 155 26569 1 . GLU 156 156 26569 1 . LEU 157 157 26569 1 . SER 158 158 26569 1 . TRP 159 159 26569 1 . TRP 160 160 26569 1 . VAL 161 161 26569 1 . ASN 162 162 26569 1 . GLY 163 163 26569 1 . LYS 164 164 26569 1 . GLU 165 165 26569 1 . VAL 166 166 26569 1 . HIS 167 167 26569 1 . SER 168 168 26569 1 . GLY 169 169 26569 1 . VAL 170 170 26569 1 . CYS 171 171 26569 1 . THR 172 172 26569 1 . ASP 173 173 26569 1 . PRO 174 174 26569 1 . GLN 175 175 26569 1 . PRO 176 176 26569 1 . LEU 177 177 26569 1 . LYS 178 178 26569 1 . GLU 179 179 26569 1 . GLN 180 180 26569 1 . PRO 181 181 26569 1 . ALA 182 182 26569 1 . LEU 183 183 26569 1 . ASN 184 184 26569 1 . ASP 185 185 26569 1 . SER 186 186 26569 1 . ARG 187 187 26569 1 . TYR 188 188 26569 1 . ALA 189 189 26569 1 . LEU 190 190 26569 1 . SER 191 191 26569 1 . SER 192 192 26569 1 . ARG 193 193 26569 1 . LEU 194 194 26569 1 . ARG 195 195 26569 1 . VAL 196 196 26569 1 . SER 197 197 26569 1 . ALA 198 198 26569 1 . THR 199 199 26569 1 . PHE 200 200 26569 1 . TRP 201 201 26569 1 . GLN 202 202 26569 1 . ASN 203 203 26569 1 . PRO 204 204 26569 1 . ARG 205 205 26569 1 . ASN 206 206 26569 1 . HIS 207 207 26569 1 . PHE 208 208 26569 1 . ARG 209 209 26569 1 . CYS 210 210 26569 1 . GLN 211 211 26569 1 . VAL 212 212 26569 1 . GLN 213 213 26569 1 . PHE 214 214 26569 1 . TYR 215 215 26569 1 . GLY 216 216 26569 1 . LEU 217 217 26569 1 . SER 218 218 26569 1 . GLU 219 219 26569 1 . ASN 220 220 26569 1 . ASP 221 221 26569 1 . GLU 222 222 26569 1 . TRP 223 223 26569 1 . THR 224 224 26569 1 . GLN 225 225 26569 1 . ASP 226 226 26569 1 . ARG 227 227 26569 1 . ALA 228 228 26569 1 . LYS 229 229 26569 1 . PRO 230 230 26569 1 . VAL 231 231 26569 1 . THR 232 232 26569 1 . GLN 233 233 26569 1 . ILE 234 234 26569 1 . VAL 235 235 26569 1 . SER 236 236 26569 1 . ALA 237 237 26569 1 . GLU 238 238 26569 1 . ALA 239 239 26569 1 . TRP 240 240 26569 1 . GLY 241 241 26569 1 . ARG 242 242 26569 1 . ALA 243 243 26569 1 . ASP 244 244 26569 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 26569 _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 $TCR_beta3c8m_t55a . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26569 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 26569 _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 $TCR_beta3c8m_t55a . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . bacterial . . pET-26b . . . 26569 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26569 _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 'TCR 3c8m t55a, TCR alpha' '[U-13C; U-15N; U-2H]' . . 1 $TCR_beta3c8m_t55a . . 0.22 0.20 0.24 mM . . . . 26569 1 2 NaPi 'natural abundance' . . . . . . 50 . . mM . . . . 26569 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 26569 1 4 Pefabloc 'natural abundance' . . . . . . 0.1 . . mg/mL . . . . 26569 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 26569 _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' 100 . mM 26569 1 pH 7.0 . pH 26569 1 pressure 1 . atm 26569 1 temperature 298 . K 26569 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26569 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26569 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 26569 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26569 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26569 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26569 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 26569 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26569 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26569 3 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 26569 _Software.ID 4 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 26569 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26569 4 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 26569 _Software.ID 5 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 26569 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 26569 5 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 26569 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with cryo probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26569 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'with cryo probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 26569 _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 . 900 'with cryo probe' . . 26569 1 2 spectrometer_2 Bruker Avance . 600 'with cryo probe' . . 26569 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 26569 _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' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26569 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26569 1 3 '3D HNCOCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26569 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26569 1 5 '3D HNCOCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26569 1 6 '3D HNCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26569 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26569 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 26569 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 26569 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 26569 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 26569 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 26569 _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' . . . 26569 1 2 '3D HNCACB' . . . 26569 1 3 '3D HNCOCACB' . . . 26569 1 4 '3D HNCA' . . . 26569 1 5 '3D HNCOCA' . . . 26569 1 6 '3D HNCACO' . . . 26569 1 7 '3D HNCO' . . . 26569 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 VAL H H 1 7.81 0.05 . 1 . . . . 2 VAL HN . 26569 1 2 . 1 1 2 2 VAL C C 13 174.987 0.3 . 1 . . . . 2 VAL CO . 26569 1 3 . 1 1 2 2 VAL CA C 13 60.055 0.3 . 1 . . . . 2 VAL CA . 26569 1 4 . 1 1 2 2 VAL CB C 13 32.605 0.3 . 1 . . . . 2 VAL CB . 26569 1 5 . 1 1 2 2 VAL N N 15 117.444 0.3 . 1 . . . . 2 VAL N . 26569 1 6 . 1 1 3 3 SER H H 1 9.218 0.009 . 1 . . . . 3 SER HN . 26569 1 7 . 1 1 3 3 SER C C 13 173.206 0.3 . 1 . . . . 3 SER CO . 26569 1 8 . 1 1 3 3 SER CA C 13 55.698 0.082 . 1 . . . . 3 SER CA . 26569 1 9 . 1 1 3 3 SER CB C 13 65.26 0.109 . 1 . . . . 3 SER CB . 26569 1 10 . 1 1 3 3 SER N N 15 121.293 0.012 . 1 . . . . 3 SER N . 26569 1 11 . 1 1 4 4 GLN H H 1 9.022 0.013 . 1 . . . . 4 GLN HN . 26569 1 12 . 1 1 4 4 GLN CA C 13 53.534 0.3 . 1 . . . . 4 GLN CA . 26569 1 13 . 1 1 4 4 GLN CB C 13 30.795 0.3 . 1 . . . . 4 GLN CB . 26569 1 14 . 1 1 4 4 GLN N N 15 126.091 0.3 . 1 . . . . 4 GLN N . 26569 1 15 . 1 1 9 9 VAL C C 13 172.96 0.3 . 1 . . . . 9 VAL CO . 26569 1 16 . 1 1 9 9 VAL CA C 13 61.069 0.3 . 1 . . . . 9 VAL CA . 26569 1 17 . 1 1 9 9 VAL CB C 13 34.221 0.3 . 1 . . . . 9 VAL CB . 26569 1 18 . 1 1 10 10 ILE H H 1 8.477 0.003 . 1 . . . . 10 ILE HN . 26569 1 19 . 1 1 10 10 ILE C C 13 173.839 0.079 . 1 . . . . 10 ILE CO . 26569 1 20 . 1 1 10 10 ILE CA C 13 57.822 0.037 . 1 . . . . 10 ILE CA . 26569 1 21 . 1 1 10 10 ILE CB C 13 39.412 0.122 . 1 . . . . 10 ILE CB . 26569 1 22 . 1 1 10 10 ILE N N 15 128.497 0.3 . 1 . . . . 10 ILE N . 26569 1 23 . 1 1 11 11 ALA H H 1 8.624 0.007 . 1 . . . . 11 ALA HN . 26569 1 24 . 1 1 11 11 ALA C C 13 175.028 0.3 . 1 . . . . 11 ALA CO . 26569 1 25 . 1 1 11 11 ALA CA C 13 49.224 0.026 . 1 . . . . 11 ALA CA . 26569 1 26 . 1 1 11 11 ALA CB C 13 22.162 0.15 . 1 . . . . 11 ALA CB . 26569 1 27 . 1 1 11 11 ALA N N 15 129.149 0.151 . 1 . . . . 11 ALA N . 26569 1 28 . 1 1 12 12 LYS H H 1 8.652 0.005 . 1 . . . . 12 LYS HN . 26569 1 29 . 1 1 12 12 LYS C C 13 177.493 0.3 . 1 . . . . 12 LYS CO . 26569 1 30 . 1 1 12 12 LYS CA C 13 54.383 0.194 . 1 . . . . 12 LYS CA . 26569 1 31 . 1 1 12 12 LYS CB C 13 32.563 0.248 . 1 . . . . 12 LYS CB . 26569 1 32 . 1 1 12 12 LYS N N 15 122.463 0.14 . 1 . . . . 12 LYS N . 26569 1 33 . 1 1 13 13 SER H H 1 8.287 0.01 . 1 . . . . 13 SER HN . 26569 1 34 . 1 1 13 13 SER C C 13 175.233 0.3 . 1 . . . . 13 SER CO . 26569 1 35 . 1 1 13 13 SER CA C 13 59.109 0.014 . 1 . . . . 13 SER CA . 26569 1 36 . 1 1 13 13 SER CB C 13 62.871 0.21 . 1 . . . . 13 SER CB . 26569 1 37 . 1 1 13 13 SER N N 15 122.349 0.201 . 1 . . . . 13 SER N . 26569 1 38 . 1 1 14 14 GLY H H 1 10.092 0.011 . 1 . . . . 14 GLY HN . 26569 1 39 . 1 1 14 14 GLY C C 13 174.877 0.3 . 1 . . . . 14 GLY CO . 26569 1 40 . 1 1 14 14 GLY CA C 13 44.393 0.085 . 1 . . . . 14 GLY CA . 26569 1 41 . 1 1 14 14 GLY N N 15 112.941 0.3 . 1 . . . . 14 GLY N . 26569 1 42 . 1 1 15 15 THR H H 1 7.538 0.011 . 1 . . . . 15 THR HN . 26569 1 43 . 1 1 15 15 THR C C 13 172.508 0.3 . 1 . . . . 15 THR CO . 26569 1 44 . 1 1 15 15 THR CA C 13 61.588 0.3 . 1 . . . . 15 THR CA . 26569 1 45 . 1 1 15 15 THR CB C 13 70.871 0.32 . 1 . . . . 15 THR CB . 26569 1 46 . 1 1 15 15 THR N N 15 113.176 0.15 . 1 . . . . 15 THR N . 26569 1 47 . 1 1 16 16 SER H H 1 8.248 0.004 . 1 . . . . 16 SER HN . 26569 1 48 . 1 1 16 16 SER C C 13 174.48 0.3 . 1 . . . . 16 SER CO . 26569 1 49 . 1 1 16 16 SER CA C 13 56.52 0.116 . 1 . . . . 16 SER CA . 26569 1 50 . 1 1 16 16 SER CB C 13 64.077 0.142 . 1 . . . . 16 SER CB . 26569 1 51 . 1 1 16 16 SER N N 15 114.088 0.14 . 1 . . . . 16 SER N . 26569 1 52 . 1 1 17 17 VAL H H 1 8.438 0.006 . 1 . . . . 17 VAL HN . 26569 1 53 . 1 1 17 17 VAL C C 13 172.962 0.052 . 1 . . . . 17 VAL CO . 26569 1 54 . 1 1 17 17 VAL CA C 13 60.678 0.123 . 1 . . . . 17 VAL CA . 26569 1 55 . 1 1 17 17 VAL CB C 13 34.672 0.296 . 1 . . . . 17 VAL CB . 26569 1 56 . 1 1 17 17 VAL N N 15 123.954 0.132 . 1 . . . . 17 VAL N . 26569 1 57 . 1 1 18 18 LYS H H 1 8.267 0.009 . 1 . . . . 18 LYS HN . 26569 1 58 . 1 1 18 18 LYS C C 13 175.069 0.3 . 1 . . . . 18 LYS CO . 26569 1 59 . 1 1 18 18 LYS CA C 13 55.178 0.039 . 1 . . . . 18 LYS CA . 26569 1 60 . 1 1 18 18 LYS CB C 13 33.613 0.285 . 1 . . . . 18 LYS CB . 26569 1 61 . 1 1 18 18 LYS N N 15 128.328 0.248 . 1 . . . . 18 LYS N . 26569 1 62 . 1 1 19 19 ILE H H 1 9.277 0.005 . 1 . . . . 19 ILE HN . 26569 1 63 . 1 1 19 19 ILE C C 13 174.647 0.121 . 1 . . . . 19 ILE CO . 26569 1 64 . 1 1 19 19 ILE CA C 13 60.397 0.026 . 1 . . . . 19 ILE CA . 26569 1 65 . 1 1 19 19 ILE CB C 13 39.969 0.168 . 1 . . . . 19 ILE CB . 26569 1 66 . 1 1 19 19 ILE N N 15 127.134 0.13 . 1 . . . . 19 ILE N . 26569 1 67 . 1 1 20 20 GLU H H 1 9.117 0.007 . 1 . . . . 20 GLU HN . 26569 1 68 . 1 1 20 20 GLU C C 13 174.987 0.3 . 1 . . . . 20 GLU CO . 26569 1 69 . 1 1 20 20 GLU CA C 13 55.36 0.026 . 1 . . . . 20 GLU CA . 26569 1 70 . 1 1 20 20 GLU CB C 13 32.317 0.176 . 1 . . . . 20 GLU CB . 26569 1 71 . 1 1 20 20 GLU N N 15 124.265 0.151 . 1 . . . . 20 GLU N . 26569 1 72 . 1 1 21 21 CYS H H 1 9.18 0.005 . 1 . . . . 21 CYS HN . 26569 1 73 . 1 1 21 21 CYS C C 13 172.179 0.3 . 1 . . . . 21 CYS CO . 26569 1 74 . 1 1 21 21 CYS CA C 13 55.205 0.038 . 1 . . . . 21 CYS CA . 26569 1 75 . 1 1 21 21 CYS CB C 13 44.795 0.246 . 1 . . . . 21 CYS CB . 26569 1 76 . 1 1 21 21 CYS N N 15 123.812 0.3 . 1 . . . . 21 CYS N . 26569 1 77 . 1 1 22 22 ARG H H 1 8.899 0.007 . 1 . . . . 22 ARG HN . 26569 1 78 . 1 1 22 22 ARG C C 13 175.521 0.3 . 1 . . . . 22 ARG CO . 26569 1 79 . 1 1 22 22 ARG CA C 13 53.356 0.069 . 1 . . . . 22 ARG CA . 26569 1 80 . 1 1 22 22 ARG CB C 13 33.166 0.097 . 1 . . . . 22 ARG CB . 26569 1 81 . 1 1 22 22 ARG N N 15 125.78 0.021 . 1 . . . . 22 ARG N . 26569 1 82 . 1 1 23 23 SER H H 1 8.406 0.006 . 1 . . . . 23 SER HN . 26569 1 83 . 1 1 23 23 SER C C 13 174.918 0.3 . 1 . . . . 23 SER CO . 26569 1 84 . 1 1 23 23 SER CA C 13 55.109 0.205 . 1 . . . . 23 SER CA . 26569 1 85 . 1 1 23 23 SER CB C 13 63.095 0.027 . 1 . . . . 23 SER CB . 26569 1 86 . 1 1 23 23 SER N N 15 118.65 0.3 . 1 . . . . 23 SER N . 26569 1 87 . 1 1 24 24 LEU H H 1 8.405 0.004 . 1 . . . . 24 LEU HN . 26569 1 88 . 1 1 24 24 LEU CA C 13 56.383 0.3 . 1 . . . . 24 LEU CA . 26569 1 89 . 1 1 24 24 LEU CB C 13 46.52 0.3 . 1 . . . . 24 LEU CB . 26569 1 90 . 1 1 24 24 LEU N N 15 124.666 0.002 . 1 . . . . 24 LEU N . 26569 1 91 . 1 1 27 27 GLN C C 13 174.151 0.3 . 1 . . . . 27 GLN CO . 26569 1 92 . 1 1 27 27 GLN CA C 13 54.466 0.3 . 1 . . . . 27 GLN CA . 26569 1 93 . 1 1 27 27 GLN CB C 13 28.605 0.3 . 1 . . . . 27 GLN CB . 26569 1 94 . 1 1 28 28 ALA H H 1 8.324 0.005 . 1 . . . . 28 ALA HN . 26569 1 95 . 1 1 28 28 ALA C C 13 176.452 0.3 . 1 . . . . 28 ALA CO . 26569 1 96 . 1 1 28 28 ALA CA C 13 50.849 0.054 . 1 . . . . 28 ALA CA . 26569 1 97 . 1 1 28 28 ALA CB C 13 19.401 0.3 . 1 . . . . 28 ALA CB . 26569 1 98 . 1 1 28 28 ALA N N 15 128.634 0.3 . 1 . . . . 28 ALA N . 26569 1 99 . 1 1 29 29 THR H H 1 8.499 0.004 . 1 . . . . 29 THR HN . 26569 1 100 . 1 1 29 29 THR C C 13 175.877 0.3 . 1 . . . . 29 THR CO . 26569 1 101 . 1 1 29 29 THR CA C 13 62.137 0.3 . 1 . . . . 29 THR CA . 26569 1 102 . 1 1 29 29 THR CB C 13 68.985 0.3 . 1 . . . . 29 THR CB . 26569 1 103 . 1 1 29 29 THR N N 15 114.029 0.3 . 1 . . . . 29 THR N . 26569 1 104 . 1 1 30 30 THR H H 1 7.582 0.008 . 1 . . . . 30 THR HN . 26569 1 105 . 1 1 30 30 THR C C 13 172.836 0.3 . 1 . . . . 30 THR CO . 26569 1 106 . 1 1 30 30 THR CA C 13 61.808 0.218 . 1 . . . . 30 THR CA . 26569 1 107 . 1 1 30 30 THR CB C 13 71.916 0.028 . 1 . . . . 30 THR CB . 26569 1 108 . 1 1 30 30 THR N N 15 118.194 0.3 . 1 . . . . 30 THR N . 26569 1 109 . 1 1 31 31 MET H H 1 8.785 0.01 . 1 . . . . 31 MET HN . 26569 1 110 . 1 1 31 31 MET C C 13 172.782 0.3 . 1 . . . . 31 MET CO . 26569 1 111 . 1 1 31 31 MET CA C 13 54.338 0.025 . 1 . . . . 31 MET CA . 26569 1 112 . 1 1 31 31 MET CB C 13 35.421 0.181 . 1 . . . . 31 MET CB . 26569 1 113 . 1 1 31 31 MET N N 15 123.816 0.14 . 1 . . . . 31 MET N . 26569 1 114 . 1 1 32 32 PHE H H 1 8.732 0.01 . 1 . . . . 32 PHE HN . 26569 1 115 . 1 1 32 32 PHE C C 13 174.562 0.3 . 1 . . . . 32 PHE CO . 26569 1 116 . 1 1 32 32 PHE CA C 13 55.315 0.027 . 1 . . . . 32 PHE CA . 26569 1 117 . 1 1 32 32 PHE CB C 13 41.481 0.3 . 1 . . . . 32 PHE CB . 26569 1 118 . 1 1 32 32 PHE N N 15 118.978 0.3 . 1 . . . . 32 PHE N . 26569 1 119 . 1 1 33 33 TRP H H 1 8.147 0.007 . 1 . . . . 33 TRP HN . 26569 1 120 . 1 1 33 33 TRP C C 13 174.11 0.3 . 1 . . . . 33 TRP CO . 26569 1 121 . 1 1 33 33 TRP CA C 13 56.346 0.104 . 1 . . . . 33 TRP CA . 26569 1 122 . 1 1 33 33 TRP CB C 13 31.385 0.148 . 1 . . . . 33 TRP CB . 26569 1 123 . 1 1 33 33 TRP N N 15 119.088 0.14 . 1 . . . . 33 TRP N . 26569 1 124 . 1 1 34 34 TYR H H 1 9.605 0.007 . 1 . . . . 34 TYR HN . 26569 1 125 . 1 1 34 34 TYR C C 13 175.083 0.3 . 1 . . . . 34 TYR CO . 26569 1 126 . 1 1 34 34 TYR CA C 13 56.182 0.09 . 1 . . . . 34 TYR CA . 26569 1 127 . 1 1 34 34 TYR CB C 13 42.48 0.097 . 1 . . . . 34 TYR CB . 26569 1 128 . 1 1 34 34 TYR N N 15 121.855 0.007 . 1 . . . . 34 TYR N . 26569 1 129 . 1 1 35 35 ARG H H 1 8.921 0.004 . 1 . . . . 35 ARG HN . 26569 1 130 . 1 1 35 35 ARG C C 13 173.809 0.3 . 1 . . . . 35 ARG CO . 26569 1 131 . 1 1 35 35 ARG CA C 13 53.945 0.039 . 1 . . . . 35 ARG CA . 26569 1 132 . 1 1 35 35 ARG CB C 13 31.732 0.211 . 1 . . . . 35 ARG CB . 26569 1 133 . 1 1 35 35 ARG N N 15 116.725 0.14 . 1 . . . . 35 ARG N . 26569 1 134 . 1 1 36 36 GLN H H 1 8.652 0.002 . 1 . . . . 36 GLN HN . 26569 1 135 . 1 1 36 36 GLN C C 13 174.959 0.3 . 1 . . . . 36 GLN CO . 26569 1 136 . 1 1 36 36 GLN CA C 13 54.205 0.26 . 1 . . . . 36 GLN CA . 26569 1 137 . 1 1 36 36 GLN CB C 13 31.824 0.261 . 1 . . . . 36 GLN CB . 26569 1 138 . 1 1 36 36 GLN N N 15 124.808 0.3 . 1 . . . . 36 GLN N . 26569 1 139 . 1 1 37 37 PHE H H 1 9.137 0.005 . 1 . . . . 37 PHE HN . 26569 1 140 . 1 1 37 37 PHE CA C 13 56.916 0.3 . 1 . . . . 37 PHE CA . 26569 1 141 . 1 1 37 37 PHE CB C 13 36.74 0.3 . 1 . . . . 37 PHE CB . 26569 1 142 . 1 1 37 37 PHE N N 15 130.044 0.3 . 1 . . . . 37 PHE N . 26569 1 143 . 1 1 38 38 PRO C C 13 177.398 0.3 . 1 . . . . 38 PRO CO . 26569 1 144 . 1 1 38 38 PRO CA C 13 64.438 0.3 . 1 . . . . 38 PRO CA . 26569 1 145 . 1 1 38 38 PRO CB C 13 31.126 0.3 . 1 . . . . 38 PRO CB . 26569 1 146 . 1 1 39 39 LYS H H 1 8.718 0.004 . 1 . . . . 39 LYS HN . 26569 1 147 . 1 1 39 39 LYS C C 13 175.727 0.3 . 1 . . . . 39 LYS CO . 26569 1 148 . 1 1 39 39 LYS CA C 13 57.698 0.3 . 1 . . . . 39 LYS CA . 26569 1 149 . 1 1 39 39 LYS CB C 13 28.919 0.148 . 1 . . . . 39 LYS CB . 26569 1 150 . 1 1 39 39 LYS N N 15 116.499 0.14 . 1 . . . . 39 LYS N . 26569 1 151 . 1 1 40 40 GLN H H 1 7.97 0.008 . 1 . . . . 40 GLN HN . 26569 1 152 . 1 1 40 40 GLN C C 13 175.672 0.3 . 1 . . . . 40 GLN CO . 26569 1 153 . 1 1 40 40 GLN CA C 13 53.972 0.077 . 1 . . . . 40 GLN CA . 26569 1 154 . 1 1 40 40 GLN CB C 13 31.312 0.15 . 1 . . . . 40 GLN CB . 26569 1 155 . 1 1 40 40 GLN N N 15 118.737 0.14 . 1 . . . . 40 GLN N . 26569 1 156 . 1 1 41 41 SER H H 1 8.233 0.006 . 1 . . . . 41 SER HN . 26569 1 157 . 1 1 41 41 SER C C 13 174.384 0.3 . 1 . . . . 41 SER CO . 26569 1 158 . 1 1 41 41 SER CA C 13 56.602 0.077 . 1 . . . . 41 SER CA . 26569 1 159 . 1 1 41 41 SER CB C 13 63.182 0.211 . 1 . . . . 41 SER CB . 26569 1 160 . 1 1 41 41 SER N N 15 113.556 0.14 . 1 . . . . 41 SER N . 26569 1 161 . 1 1 42 42 LEU H H 1 7.245 0.005 . 1 . . . . 42 LEU HN . 26569 1 162 . 1 1 42 42 LEU C C 13 176.654 0.128 . 1 . . . . 42 LEU CO . 26569 1 163 . 1 1 42 42 LEU CA C 13 56.863 0.106 . 1 . . . . 42 LEU CA . 26569 1 164 . 1 1 42 42 LEU CB C 13 41.704 0.159 . 1 . . . . 42 LEU CB . 26569 1 165 . 1 1 42 42 LEU N N 15 121.248 0.133 . 1 . . . . 42 LEU N . 26569 1 166 . 1 1 43 43 MET H H 1 9.27 0.004 . 1 . . . . 43 MET HN . 26569 1 167 . 1 1 43 43 MET C C 13 175.124 0.3 . 1 . . . . 43 MET CO . 26569 1 168 . 1 1 43 43 MET CA C 13 53.79 0.025 . 1 . . . . 43 MET CA . 26569 1 169 . 1 1 43 43 MET CB C 13 33.047 0.159 . 1 . . . . 43 MET CB . 26569 1 170 . 1 1 43 43 MET N N 15 124.94 0.151 . 1 . . . . 43 MET N . 26569 1 171 . 1 1 44 44 LEU H H 1 8.689 0.007 . 1 . . . . 44 LEU HN . 26569 1 172 . 1 1 44 44 LEU C C 13 175.768 0.3 . 1 . . . . 44 LEU CO . 26569 1 173 . 1 1 44 44 LEU CA C 13 55.725 0.078 . 1 . . . . 44 LEU CA . 26569 1 174 . 1 1 44 44 LEU CB C 13 39.877 0.148 . 1 . . . . 44 LEU CB . 26569 1 175 . 1 1 44 44 LEU N N 15 128.446 0.133 . 1 . . . . 44 LEU N . 26569 1 176 . 1 1 45 45 MET H H 1 9.651 0.009 . 1 . . . . 45 MET HN . 26569 1 177 . 1 1 45 45 MET C C 13 176.096 0.3 . 1 . . . . 45 MET CO . 26569 1 178 . 1 1 45 45 MET CA C 13 56.109 0.11 . 1 . . . . 45 MET CA . 26569 1 179 . 1 1 45 45 MET CB C 13 34.521 0.3 . 1 . . . . 45 MET CB . 26569 1 180 . 1 1 45 45 MET N N 15 124.452 0.3 . 1 . . . . 45 MET N . 26569 1 181 . 1 1 46 46 ALA H H 1 7.317 0.005 . 1 . . . . 46 ALA HN . 26569 1 182 . 1 1 46 46 ALA C C 13 174.74 0.3 . 1 . . . . 46 ALA CO . 26569 1 183 . 1 1 46 46 ALA CA C 13 51.178 0.054 . 1 . . . . 46 ALA CA . 26569 1 184 . 1 1 46 46 ALA CB C 13 21.851 0.189 . 1 . . . . 46 ALA CB . 26569 1 185 . 1 1 46 46 ALA N N 15 115.394 0.16 . 1 . . . . 46 ALA N . 26569 1 186 . 1 1 47 47 THR H H 1 8.211 0.005 . 1 . . . . 47 THR HN . 26569 1 187 . 1 1 47 47 THR C C 13 173.425 0.3 . 1 . . . . 47 THR CO . 26569 1 188 . 1 1 47 47 THR CA C 13 61.825 0.104 . 1 . . . . 47 THR CA . 26569 1 189 . 1 1 47 47 THR CB C 13 70.652 0.142 . 1 . . . . 47 THR CB . 26569 1 190 . 1 1 47 47 THR N N 15 116.238 0.14 . 1 . . . . 47 THR N . 26569 1 191 . 1 1 48 48 SER H H 1 9.242 0.012 . 1 . . . . 48 SER HN . 26569 1 192 . 1 1 48 48 SER C C 13 172.316 0.3 . 1 . . . . 48 SER CO . 26569 1 193 . 1 1 48 48 SER CA C 13 56.739 0.194 . 1 . . . . 48 SER CA . 26569 1 194 . 1 1 48 48 SER CB C 13 64.068 0.231 . 1 . . . . 48 SER CB . 26569 1 195 . 1 1 48 48 SER N N 15 121.762 0.136 . 1 . . . . 48 SER N . 26569 1 196 . 1 1 49 49 ASN H H 1 8.364 0.004 . 1 . . . . 49 ASN HN . 26569 1 197 . 1 1 49 49 ASN C C 13 173.795 0.3 . 1 . . . . 49 ASN CO . 26569 1 198 . 1 1 49 49 ASN CA C 13 51.356 0.097 . 1 . . . . 49 ASN CA . 26569 1 199 . 1 1 49 49 ASN CB C 13 41.275 0.206 . 1 . . . . 49 ASN CB . 26569 1 200 . 1 1 49 49 ASN N N 15 123.843 0.3 . 1 . . . . 49 ASN N . 26569 1 201 . 1 1 50 50 GLU H H 1 7.983 0.007 . 1 . . . . 50 GLU HN . 26569 1 202 . 1 1 50 50 GLU C C 13 177.384 0.3 . 1 . . . . 50 GLU CO . 26569 1 203 . 1 1 50 50 GLU CA C 13 57.343 0.191 . 1 . . . . 50 GLU CA . 26569 1 204 . 1 1 50 50 GLU CB C 13 27.81 0.193 . 1 . . . . 50 GLU CB . 26569 1 205 . 1 1 50 50 GLU N N 15 122.639 0.009 . 1 . . . . 50 GLU N . 26569 1 206 . 1 1 51 51 GLY H H 1 8.571 0.007 . 1 . . . . 51 GLY HN . 26569 1 207 . 1 1 51 51 GLY C C 13 174.083 0.3 . 1 . . . . 51 GLY CO . 26569 1 208 . 1 1 51 51 GLY CA C 13 45.37 0.111 . 1 . . . . 51 GLY CA . 26569 1 209 . 1 1 51 51 GLY N N 15 113.399 0.012 . 1 . . . . 51 GLY N . 26569 1 210 . 1 1 52 52 SER H H 1 7.751 0.006 . 1 . . . . 52 SER HN . 26569 1 211 . 1 1 52 52 SER C C 13 176.165 0.3 . 1 . . . . 52 SER CO . 26569 1 212 . 1 1 52 52 SER CA C 13 56.438 0.3 . 1 . . . . 52 SER CA . 26569 1 213 . 1 1 52 52 SER CB C 13 64.766 0.164 . 1 . . . . 52 SER CB . 26569 1 214 . 1 1 52 52 SER N N 15 114.417 0.148 . 1 . . . . 52 SER N . 26569 1 215 . 1 1 53 53 LYS H H 1 8.327 0.006 . 1 . . . . 53 LYS HN . 26569 1 216 . 1 1 53 53 LYS C C 13 177.343 0.3 . 1 . . . . 53 LYS CO . 26569 1 217 . 1 1 53 53 LYS CA C 13 56 0.109 . 1 . . . . 53 LYS CA . 26569 1 218 . 1 1 53 53 LYS CB C 13 31.947 0.054 . 1 . . . . 53 LYS CB . 26569 1 219 . 1 1 53 53 LYS N N 15 122.084 0.3 . 1 . . . . 53 LYS N . 26569 1 220 . 1 1 54 54 ALA H H 1 8.687 0.004 . 1 . . . . 54 ALA HN . 26569 1 221 . 1 1 54 54 ALA C C 13 175.658 0.3 . 1 . . . . 54 ALA CO . 26569 1 222 . 1 1 54 54 ALA CA C 13 52.383 0.3 . 1 . . . . 54 ALA CA . 26569 1 223 . 1 1 54 54 ALA CB C 13 18.381 0.142 . 1 . . . . 54 ALA CB . 26569 1 224 . 1 1 54 54 ALA N N 15 126.932 0.14 . 1 . . . . 54 ALA N . 26569 1 225 . 1 1 55 55 ALA H H 1 8.469 0.005 . 1 . . . . 55 ALA HN . 26569 1 226 . 1 1 55 55 ALA C C 13 177.493 0.3 . 1 . . . . 55 ALA CO . 26569 1 227 . 1 1 55 55 ALA CA C 13 50.173 0.103 . 1 . . . . 55 ALA CA . 26569 1 228 . 1 1 55 55 ALA CB C 13 19.093 0.15 . 1 . . . . 55 ALA CB . 26569 1 229 . 1 1 55 55 ALA N N 15 124.019 0.139 . 1 . . . . 55 ALA N . 26569 1 230 . 1 1 56 56 TYR H H 1 9.184 0.005 . 1 . . . . 56 TYR HN . 26569 1 231 . 1 1 56 56 TYR C C 13 177.22 0.3 . 1 . . . . 56 TYR CO . 26569 1 232 . 1 1 56 56 TYR CA C 13 58.502 0.025 . 1 . . . . 56 TYR CA . 26569 1 233 . 1 1 56 56 TYR CB C 13 39.859 0.142 . 1 . . . . 56 TYR CB . 26569 1 234 . 1 1 56 56 TYR N N 15 126.272 0.14 . 1 . . . . 56 TYR N . 26569 1 235 . 1 1 57 57 GLU H H 1 7.935 0.008 . 1 . . . . 57 GLU HN . 26569 1 236 . 1 1 57 57 GLU C C 13 176.343 0.3 . 1 . . . . 57 GLU CO . 26569 1 237 . 1 1 57 57 GLU CA C 13 54.319 0.181 . 1 . . . . 57 GLU CA . 26569 1 238 . 1 1 57 57 GLU CB C 13 30.089 0.14 . 1 . . . . 57 GLU CB . 26569 1 239 . 1 1 57 57 GLU N N 15 121.105 0.14 . 1 . . . . 57 GLU N . 26569 1 240 . 1 1 58 58 GLN H H 1 8.632 0.005 . 1 . . . . 58 GLN HN . 26569 1 241 . 1 1 58 58 GLN C C 13 177.398 0.3 . 1 . . . . 58 GLN CO . 26569 1 242 . 1 1 58 58 GLN CA C 13 57.424 0.077 . 1 . . . . 58 GLN CA . 26569 1 243 . 1 1 58 58 GLN CB C 13 27.769 0.189 . 1 . . . . 58 GLN CB . 26569 1 244 . 1 1 58 58 GLN N N 15 120.744 0.14 . 1 . . . . 58 GLN N . 26569 1 245 . 1 1 59 59 GLY H H 1 8.585 0.002 . 1 . . . . 59 GLY HN . 26569 1 246 . 1 1 59 59 GLY C C 13 174.014 0.3 . 1 . . . . 59 GLY CO . 26569 1 247 . 1 1 59 59 GLY CA C 13 44.849 0.081 . 1 . . . . 59 GLY CA . 26569 1 248 . 1 1 59 59 GLY N N 15 113.385 0.3 . 1 . . . . 59 GLY N . 26569 1 249 . 1 1 60 60 VAL H H 1 7.53 0.003 . 1 . . . . 60 VAL HN . 26569 1 250 . 1 1 60 60 VAL C C 13 175.537 0.08 . 1 . . . . 60 VAL CO . 26569 1 251 . 1 1 60 60 VAL CA C 13 61.936 0.032 . 1 . . . . 60 VAL CA . 26569 1 252 . 1 1 60 60 VAL CB C 13 31.152 0.083 . 1 . . . . 60 VAL CB . 26569 1 253 . 1 1 60 60 VAL N N 15 121.999 0.3 . 1 . . . . 60 VAL N . 26569 1 254 . 1 1 61 61 GLU H H 1 8.8 0.004 . 1 . . . . 61 GLU HN . 26569 1 255 . 1 1 61 61 GLU C C 13 176.74 0.3 . 1 . . . . 61 GLU CO . 26569 1 256 . 1 1 61 61 GLU CA C 13 56.42 0.052 . 1 . . . . 61 GLU CA . 26569 1 257 . 1 1 61 61 GLU CB C 13 28.773 0.159 . 1 . . . . 61 GLU CB . 26569 1 258 . 1 1 61 61 GLU N N 15 128.297 0.151 . 1 . . . . 61 GLU N . 26569 1 259 . 1 1 62 62 LYS H H 1 8.042 0.005 . 1 . . . . 62 LYS HN . 26569 1 260 . 1 1 62 62 LYS C C 13 175.959 0.3 . 1 . . . . 62 LYS CO . 26569 1 261 . 1 1 62 62 LYS CA C 13 58.401 0.065 . 1 . . . . 62 LYS CA . 26569 1 262 . 1 1 62 62 LYS CB C 13 31.083 0.201 . 1 . . . . 62 LYS CB . 26569 1 263 . 1 1 62 62 LYS N N 15 127.786 0.14 . 1 . . . . 62 LYS N . 26569 1 264 . 1 1 63 63 ASP H H 1 8.192 0.004 . 1 . . . . 63 ASP HN . 26569 1 265 . 1 1 63 63 ASP C C 13 175.932 0.3 . 1 . . . . 63 ASP CO . 26569 1 266 . 1 1 63 63 ASP CA C 13 54.831 0.091 . 1 . . . . 63 ASP CA . 26569 1 267 . 1 1 63 63 ASP CB C 13 39.567 0.184 . 1 . . . . 63 ASP CB . 26569 1 268 . 1 1 63 63 ASP N N 15 114.502 0.137 . 1 . . . . 63 ASP N . 26569 1 269 . 1 1 64 64 LYS H H 1 7.113 0.007 . 1 . . . . 64 LYS HN . 26569 1 270 . 1 1 64 64 LYS C C 13 174.699 0.3 . 1 . . . . 64 LYS CO . 26569 1 271 . 1 1 64 64 LYS CA C 13 55.58 0.026 . 1 . . . . 64 LYS CA . 26569 1 272 . 1 1 64 64 LYS CB C 13 32.791 0.15 . 1 . . . . 64 LYS CB . 26569 1 273 . 1 1 64 64 LYS N N 15 119.509 0.139 . 1 . . . . 64 LYS N . 26569 1 274 . 1 1 65 65 PHE H H 1 7.204 0.01 . 1 . . . . 65 PHE HN . 26569 1 275 . 1 1 65 65 PHE C C 13 173.836 0.3 . 1 . . . . 65 PHE CO . 26569 1 276 . 1 1 65 65 PHE CA C 13 55.164 0.068 . 1 . . . . 65 PHE CA . 26569 1 277 . 1 1 65 65 PHE CB C 13 38.535 0.069 . 1 . . . . 65 PHE CB . 26569 1 278 . 1 1 65 65 PHE N N 15 117.279 0.3 . 1 . . . . 65 PHE N . 26569 1 279 . 1 1 66 66 LEU H H 1 8.709 0.01 . 1 . . . . 66 LEU HN . 26569 1 280 . 1 1 66 66 LEU C C 13 176.818 0.1 . 1 . . . . 66 LEU CO . 26569 1 281 . 1 1 66 66 LEU CA C 13 54.647 0.159 . 1 . . . . 66 LEU CA . 26569 1 282 . 1 1 66 66 LEU CB C 13 41.754 0.164 . 1 . . . . 66 LEU CB . 26569 1 283 . 1 1 66 66 LEU N N 15 124.069 0.008 . 1 . . . . 66 LEU N . 26569 1 284 . 1 1 67 67 ILE H H 1 8.16 0.007 . 1 . . . . 67 ILE HN . 26569 1 285 . 1 1 67 67 ILE C C 13 174.668 0.059 . 1 . . . . 67 ILE CO . 26569 1 286 . 1 1 67 67 ILE CA C 13 59.128 0.185 . 1 . . . . 67 ILE CA . 26569 1 287 . 1 1 67 67 ILE CB C 13 38.965 0.14 . 1 . . . . 67 ILE CB . 26569 1 288 . 1 1 67 67 ILE N N 15 127.079 0.173 . 1 . . . . 67 ILE N . 26569 1 289 . 1 1 68 68 ASN H H 1 8.612 0.004 . 1 . . . . 68 ASN HN . 26569 1 290 . 1 1 68 68 ASN CA C 13 51.945 0.3 . 1 . . . . 68 ASN CA . 26569 1 291 . 1 1 68 68 ASN CB C 13 41.377 0.172 . 1 . . . . 68 ASN CB . 26569 1 292 . 1 1 68 68 ASN N N 15 125.659 0.145 . 1 . . . . 68 ASN N . 26569 1 293 . 1 1 69 69 HIS C C 13 174.179 0.3 . 1 . . . . 69 HIS CO . 26569 1 294 . 1 1 69 69 HIS CA C 13 60.383 0.3 . 1 . . . . 69 HIS CA . 26569 1 295 . 1 1 70 70 ALA H H 1 8.183 0.005 . 1 . . . . 70 ALA HN . 26569 1 296 . 1 1 70 70 ALA C C 13 177.233 0.3 . 1 . . . . 70 ALA CO . 26569 1 297 . 1 1 70 70 ALA CA C 13 53.534 0.055 . 1 . . . . 70 ALA CA . 26569 1 298 . 1 1 70 70 ALA CB C 13 19.044 0.083 . 1 . . . . 70 ALA CB . 26569 1 299 . 1 1 70 70 ALA N N 15 129.008 0.3 . 1 . . . . 70 ALA N . 26569 1 300 . 1 1 71 71 SER H H 1 8.357 0.009 . 1 . . . . 71 SER HN . 26569 1 301 . 1 1 71 71 SER C C 13 173.357 0.3 . 1 . . . . 71 SER CO . 26569 1 302 . 1 1 71 71 SER CA C 13 56.41 0.115 . 1 . . . . 71 SER CA . 26569 1 303 . 1 1 71 71 SER CB C 13 64.816 0.141 . 1 . . . . 71 SER CB . 26569 1 304 . 1 1 71 71 SER N N 15 112.964 0.14 . 1 . . . . 71 SER N . 26569 1 305 . 1 1 72 72 LEU H H 1 8.294 0.004 . 1 . . . . 72 LEU HN . 26569 1 306 . 1 1 72 72 LEU CA C 13 56.136 0.3 . 1 . . . . 72 LEU CA . 26569 1 307 . 1 1 72 72 LEU CB C 13 41.562 0.3 . 1 . . . . 72 LEU CB . 26569 1 308 . 1 1 72 72 LEU N N 15 116.938 0.005 . 1 . . . . 72 LEU N . 26569 1 309 . 1 1 73 73 THR C C 13 173.918 0.3 . 1 . . . . 73 THR CO . 26569 1 310 . 1 1 73 73 THR CA C 13 59.616 0.3 . 1 . . . . 73 THR CA . 26569 1 311 . 1 1 73 73 THR CB C 13 70.3 0.3 . 1 . . . . 73 THR CB . 26569 1 312 . 1 1 74 74 LEU H H 1 7.058 0.01 . 1 . . . . 74 LEU HN . 26569 1 313 . 1 1 74 74 LEU C C 13 174.551 0.052 . 1 . . . . 74 LEU CO . 26569 1 314 . 1 1 74 74 LEU CA C 13 54.708 0.174 . 1 . . . . 74 LEU CA . 26569 1 315 . 1 1 74 74 LEU CB C 13 44.845 0.172 . 1 . . . . 74 LEU CB . 26569 1 316 . 1 1 74 74 LEU N N 15 123.94 0.133 . 1 . . . . 74 LEU N . 26569 1 317 . 1 1 75 75 SER H H 1 8.68 0.006 . 1 . . . . 75 SER HN . 26569 1 318 . 1 1 75 75 SER C C 13 173.384 0.3 . 1 . . . . 75 SER CO . 26569 1 319 . 1 1 75 75 SER CA C 13 56.566 0.026 . 1 . . . . 75 SER CA . 26569 1 320 . 1 1 75 75 SER CB C 13 66.031 0.207 . 1 . . . . 75 SER CB . 26569 1 321 . 1 1 75 75 SER N N 15 119.74 0.151 . 1 . . . . 75 SER N . 26569 1 322 . 1 1 76 76 THR H H 1 8.934 0.006 . 1 . . . . 76 THR HN . 26569 1 323 . 1 1 76 76 THR C C 13 172.069 0.3 . 1 . . . . 76 THR CO . 26569 1 324 . 1 1 76 76 THR CA C 13 59.25 0.026 . 1 . . . . 76 THR CA . 26569 1 325 . 1 1 76 76 THR CB C 13 71.291 0.162 . 1 . . . . 76 THR CB . 26569 1 326 . 1 1 76 76 THR N N 15 115.112 0.14 . 1 . . . . 76 THR N . 26569 1 327 . 1 1 77 77 LEU H H 1 8.557 0.005 . 1 . . . . 77 LEU HN . 26569 1 328 . 1 1 77 77 LEU C C 13 174.537 0.175 . 1 . . . . 77 LEU CO . 26569 1 329 . 1 1 77 77 LEU CA C 13 52.758 0.111 . 1 . . . . 77 LEU CA . 26569 1 330 . 1 1 77 77 LEU CB C 13 41.211 0.159 . 1 . . . . 77 LEU CB . 26569 1 331 . 1 1 77 77 LEU N N 15 126.973 0.133 . 1 . . . . 77 LEU N . 26569 1 332 . 1 1 78 78 THR H H 1 9.112 0.009 . 1 . . . . 78 THR HN . 26569 1 333 . 1 1 78 78 THR C C 13 173.781 0.3 . 1 . . . . 78 THR CO . 26569 1 334 . 1 1 78 78 THR CA C 13 60.292 0.258 . 1 . . . . 78 THR CA . 26569 1 335 . 1 1 78 78 THR CB C 13 69.83 0.193 . 1 . . . . 78 THR CB . 26569 1 336 . 1 1 78 78 THR N N 15 123.41 0.174 . 1 . . . . 78 THR N . 26569 1 337 . 1 1 79 79 VAL H H 1 8.998 0.005 . 1 . . . . 79 VAL HN . 26569 1 338 . 1 1 79 79 VAL C C 13 175.832 0.073 . 1 . . . . 79 VAL CO . 26569 1 339 . 1 1 79 79 VAL CA C 13 60.909 0.259 . 1 . . . . 79 VAL CA . 26569 1 340 . 1 1 79 79 VAL CB C 13 31.056 0.148 . 1 . . . . 79 VAL CB . 26569 1 341 . 1 1 79 79 VAL N N 15 128.81 0.133 . 1 . . . . 79 VAL N . 26569 1 342 . 1 1 80 80 THR H H 1 8.178 0.009 . 1 . . . . 80 THR HN . 26569 1 343 . 1 1 80 80 THR C C 13 173.713 0.3 . 1 . . . . 80 THR CO . 26569 1 344 . 1 1 80 80 THR CA C 13 61.533 0.3 . 1 . . . . 80 THR CA . 26569 1 345 . 1 1 80 80 THR CB C 13 69.447 0.15 . 1 . . . . 80 THR CB . 26569 1 346 . 1 1 80 80 THR N N 15 119.175 0.151 . 1 . . . . 80 THR N . 26569 1 347 . 1 1 81 81 SER H H 1 8.155 0.006 . 1 . . . . 81 SER HN . 26569 1 348 . 1 1 81 81 SER C C 13 174.151 0.3 . 1 . . . . 81 SER CO . 26569 1 349 . 1 1 81 81 SER CA C 13 56.493 0.155 . 1 . . . . 81 SER CA . 26569 1 350 . 1 1 81 81 SER CB C 13 61.465 0.148 . 1 . . . . 81 SER CB . 26569 1 351 . 1 1 81 81 SER N N 15 115.599 0.14 . 1 . . . . 81 SER N . 26569 1 352 . 1 1 82 82 ALA H H 1 8.474 0.008 . 1 . . . . 82 ALA HN . 26569 1 353 . 1 1 82 82 ALA C C 13 176.521 0.3 . 1 . . . . 82 ALA CO . 26569 1 354 . 1 1 82 82 ALA CA C 13 53.26 0.179 . 1 . . . . 82 ALA CA . 26569 1 355 . 1 1 82 82 ALA CB C 13 17.605 0.217 . 1 . . . . 82 ALA CB . 26569 1 356 . 1 1 82 82 ALA N N 15 122.611 0.134 . 1 . . . . 82 ALA N . 26569 1 357 . 1 1 83 83 HIS H H 1 9.796 0.005 . 1 . . . . 83 HIS HN . 26569 1 358 . 1 1 83 83 HIS CA C 13 54.246 0.3 . 1 . . . . 83 HIS CA . 26569 1 359 . 1 1 83 83 HIS CB C 13 32.337 0.171 . 1 . . . . 83 HIS CB . 26569 1 360 . 1 1 83 83 HIS N N 15 125.962 0.14 . 1 . . . . 83 HIS N . 26569 1 361 . 1 1 85 85 GLU C C 13 177.041 0.3 . 1 . . . . 85 GLU CO . 26569 1 362 . 1 1 85 85 GLU CA C 13 58.329 0.3 . 1 . . . . 85 GLU CA . 26569 1 363 . 1 1 85 85 GLU CB C 13 27.427 0.3 . 1 . . . . 85 GLU CB . 26569 1 364 . 1 1 86 86 ASP H H 1 9.059 0.008 . 1 . . . . 86 ASP HN . 26569 1 365 . 1 1 86 86 ASP C C 13 177.63 0.3 . 1 . . . . 86 ASP CO . 26569 1 366 . 1 1 86 86 ASP CA C 13 55.15 0.11 . 1 . . . . 86 ASP CA . 26569 1 367 . 1 1 86 86 ASP CB C 13 40.932 0.028 . 1 . . . . 86 ASP CB . 26569 1 368 . 1 1 86 86 ASP N N 15 118.825 0.01 . 1 . . . . 86 ASP N . 26569 1 369 . 1 1 87 87 SER H H 1 8.118 0.006 . 1 . . . . 87 SER HN . 26569 1 370 . 1 1 87 87 SER C C 13 173.686 0.3 . 1 . . . . 87 SER CO . 26569 1 371 . 1 1 87 87 SER CA C 13 60.424 0.096 . 1 . . . . 87 SER CA . 26569 1 372 . 1 1 87 87 SER CB C 13 62.671 0.04 . 1 . . . . 87 SER CB . 26569 1 373 . 1 1 87 87 SER N N 15 119.14 0.3 . 1 . . . . 87 SER N . 26569 1 374 . 1 1 88 88 SER H H 1 8.604 0.006 . 1 . . . . 88 SER HN . 26569 1 375 . 1 1 88 88 SER C C 13 171.165 0.3 . 1 . . . . 88 SER CO . 26569 1 376 . 1 1 88 88 SER CA C 13 58.666 0.201 . 1 . . . . 88 SER CA . 26569 1 377 . 1 1 88 88 SER CB C 13 63.081 0.206 . 1 . . . . 88 SER CB . 26569 1 378 . 1 1 88 88 SER N N 15 120.978 0.3 . 1 . . . . 88 SER N . 26569 1 379 . 1 1 89 89 PHE H H 1 7.624 0.009 . 1 . . . . 89 PHE HN . 26569 1 380 . 1 1 89 89 PHE CA C 13 53.862 0.3 . 1 . . . . 89 PHE CA . 26569 1 381 . 1 1 89 89 PHE CB C 13 39.836 0.3 . 1 . . . . 89 PHE CB . 26569 1 382 . 1 1 89 89 PHE N N 15 122.269 0.3 . 1 . . . . 89 PHE N . 26569 1 383 . 1 1 90 90 TYR C C 13 176.411 0.3 . 1 . . . . 90 TYR CO . 26569 1 384 . 1 1 90 90 TYR CA C 13 57.699 0.3 . 1 . . . . 90 TYR CA . 26569 1 385 . 1 1 90 90 TYR CB C 13 40.276 0.3 . 1 . . . . 90 TYR CB . 26569 1 386 . 1 1 91 91 ILE H H 1 9.224 0.005 . 1 . . . . 91 ILE HN . 26569 1 387 . 1 1 91 91 ILE C C 13 172.96 0.3 . 1 . . . . 91 ILE CO . 26569 1 388 . 1 1 91 91 ILE CA C 13 60.109 0.164 . 1 . . . . 91 ILE CA . 26569 1 389 . 1 1 91 91 ILE CB C 13 42.11 0.028 . 1 . . . . 91 ILE CB . 26569 1 390 . 1 1 91 91 ILE N N 15 125.605 0.02 . 1 . . . . 91 ILE N . 26569 1 391 . 1 1 92 92 CYS H H 1 7.761 0.007 . 1 . . . . 92 CYS HN . 26569 1 392 . 1 1 92 92 CYS CA C 13 55.123 0.3 . 1 . . . . 92 CYS CA . 26569 1 393 . 1 1 92 92 CYS CB C 13 41.754 0.3 . 1 . . . . 92 CYS CB . 26569 1 394 . 1 1 92 92 CYS N N 15 124.251 0.001 . 1 . . . . 92 CYS N . 26569 1 395 . 1 1 93 93 SER C C 13 174.768 0.3 . 1 . . . . 93 SER CO . 26569 1 396 . 1 1 93 93 SER CA C 13 55.288 0.3 . 1 . . . . 93 SER CA . 26569 1 397 . 1 1 93 93 SER CB C 13 65.533 0.3 . 1 . . . . 93 SER CB . 26569 1 398 . 1 1 94 94 ALA H H 1 8.584 0.012 . 1 . . . . 94 ALA HN . 26569 1 399 . 1 1 94 94 ALA C C 13 174.891 0.3 . 1 . . . . 94 ALA CO . 26569 1 400 . 1 1 94 94 ALA CA C 13 50.576 0.3 . 1 . . . . 94 ALA CA . 26569 1 401 . 1 1 94 94 ALA CB C 13 22.55 0.303 . 1 . . . . 94 ALA CB . 26569 1 402 . 1 1 94 94 ALA N N 15 122.241 0.3 . 1 . . . . 94 ALA N . 26569 1 403 . 1 1 95 95 ARG H H 1 8.257 0.004 . 1 . . . . 95 ARG HN . 26569 1 404 . 1 1 95 95 ARG C C 13 175.932 0.3 . 1 . . . . 95 ARG CO . 26569 1 405 . 1 1 95 95 ARG CA C 13 54.739 0.137 . 1 . . . . 95 ARG CA . 26569 1 406 . 1 1 95 95 ARG CB C 13 32.522 0.056 . 1 . . . . 95 ARG CB . 26569 1 407 . 1 1 95 95 ARG N N 15 119.699 0.164 . 1 . . . . 95 ARG N . 26569 1 408 . 1 1 96 96 GLY H H 1 8.769 0.005 . 1 . . . . 96 GLY HN . 26569 1 409 . 1 1 96 96 GLY C C 13 174.042 0.3 . 1 . . . . 96 GLY CO . 26569 1 410 . 1 1 96 96 GLY CA C 13 44.411 0.3 . 1 . . . . 96 GLY CA . 26569 1 411 . 1 1 96 96 GLY N N 15 112.309 0.3 . 1 . . . . 96 GLY N . 26569 1 412 . 1 1 97 97 GLY H H 1 8.128 0.003 . 1 . . . . 97 GLY HN . 26569 1 413 . 1 1 97 97 GLY CA C 13 44.877 0.3 . 1 . . . . 97 GLY CA . 26569 1 414 . 1 1 97 97 GLY N N 15 108.106 0.022 . 1 . . . . 97 GLY N . 26569 1 415 . 1 1 98 98 SER C C 13 172.727 0.3 . 1 . . . . 98 SER CO . 26569 1 416 . 1 1 98 98 SER CA C 13 56.932 0.3 . 1 . . . . 98 SER CA . 26569 1 417 . 1 1 98 98 SER CB C 13 63.725 0.3 . 1 . . . . 98 SER CB . 26569 1 418 . 1 1 99 99 TYR H H 1 8.355 0.004 . 1 . . . . 99 TYR HN . 26569 1 419 . 1 1 99 99 TYR CA C 13 55.753 0.3 . 1 . . . . 99 TYR CA . 26569 1 420 . 1 1 99 99 TYR N N 15 123.122 0.021 . 1 . . . . 99 TYR N . 26569 1 421 . 1 1 100 100 ASN C C 13 174.768 0.3 . 1 . . . . 100 ASN CO . 26569 1 422 . 1 1 100 100 ASN CA C 13 51.781 0.3 . 1 . . . . 100 ASN CA . 26569 1 423 . 1 1 100 100 ASN CB C 13 36.824 0.3 . 1 . . . . 100 ASN CB . 26569 1 424 . 1 1 101 101 SER H H 1 7.251 0.005 . 1 . . . . 101 SER HN . 26569 1 425 . 1 1 101 101 SER CA C 13 56.383 0.3 . 1 . . . . 101 SER CA . 26569 1 426 . 1 1 101 101 SER CB C 13 63.787 0.171 . 1 . . . . 101 SER CB . 26569 1 427 . 1 1 101 101 SER N N 15 116.211 0.14 . 1 . . . . 101 SER N . 26569 1 428 . 1 1 102 102 PRO C C 13 175.083 0.3 . 1 . . . . 102 PRO CO . 26569 1 429 . 1 1 102 102 PRO CA C 13 61.178 0.3 . 1 . . . . 102 PRO CA . 26569 1 430 . 1 1 102 102 PRO CB C 13 31.454 0.3 . 1 . . . . 102 PRO CB . 26569 1 431 . 1 1 103 103 LEU H H 1 7.444 0.008 . 1 . . . . 103 LEU HN . 26569 1 432 . 1 1 103 103 LEU CA C 13 53.589 0.3 . 1 . . . . 103 LEU CA . 26569 1 433 . 1 1 103 103 LEU N N 15 120.677 0.108 . 1 . . . . 103 LEU N . 26569 1 434 . 1 1 104 104 HIS C C 13 174.658 0.3 . 1 . . . . 104 HIS CO . 26569 1 435 . 1 1 104 104 HIS CA C 13 54.63 0.3 . 1 . . . . 104 HIS CA . 26569 1 436 . 1 1 104 104 HIS CB C 13 31.619 0.3 . 1 . . . . 104 HIS CB . 26569 1 437 . 1 1 105 105 PHE H H 1 9.097 0.002 . 1 . . . . 105 PHE HN . 26569 1 438 . 1 1 105 105 PHE C C 13 177.672 0.3 . 1 . . . . 105 PHE CO . 26569 1 439 . 1 1 105 105 PHE CA C 13 57.918 0.164 . 1 . . . . 105 PHE CA . 26569 1 440 . 1 1 105 105 PHE CB C 13 41.069 0.246 . 1 . . . . 105 PHE CB . 26569 1 441 . 1 1 105 105 PHE N N 15 122.698 0.3 . 1 . . . . 105 PHE N . 26569 1 442 . 1 1 106 106 GLY H H 1 8.82 0.01 . 1 . . . . 106 GLY HN . 26569 1 443 . 1 1 106 106 GLY C C 13 171.905 0.3 . 1 . . . . 106 GLY CO . 26569 1 444 . 1 1 106 106 GLY CA C 13 43.418 0.138 . 1 . . . . 106 GLY CA . 26569 1 445 . 1 1 106 106 GLY N N 15 108.763 0.3 . 1 . . . . 106 GLY N . 26569 1 446 . 1 1 107 107 ASN H H 1 8.113 0.006 . 1 . . . . 107 ASN HN . 26569 1 447 . 1 1 107 107 ASN C C 13 176.028 0.3 . 1 . . . . 107 ASN CO . 26569 1 448 . 1 1 107 107 ASN CA C 13 53.077 0.235 . 1 . . . . 107 ASN CA . 26569 1 449 . 1 1 107 107 ASN CB C 13 37.627 0.014 . 1 . . . . 107 ASN CB . 26569 1 450 . 1 1 107 107 ASN N N 15 110.905 0.3 . 1 . . . . 107 ASN N . 26569 1 451 . 1 1 108 108 GLY H H 1 6.553 0.009 . 1 . . . . 108 GLY HN . 26569 1 452 . 1 1 108 108 GLY C C 13 174.891 0.3 . 1 . . . . 108 GLY CO . 26569 1 453 . 1 1 108 108 GLY CA C 13 44.229 0.141 . 1 . . . . 108 GLY CA . 26569 1 454 . 1 1 108 108 GLY N N 15 103.758 0.3 . 1 . . . . 108 GLY N . 26569 1 455 . 1 1 109 109 THR H H 1 8.125 0.007 . 1 . . . . 109 THR HN . 26569 1 456 . 1 1 109 109 THR C C 13 173.932 0.3 . 1 . . . . 109 THR CO . 26569 1 457 . 1 1 109 109 THR CA C 13 61.442 0.131 . 1 . . . . 109 THR CA . 26569 1 458 . 1 1 109 109 THR CB C 13 71.967 0.258 . 1 . . . . 109 THR CB . 26569 1 459 . 1 1 109 109 THR N N 15 117.049 0.148 . 1 . . . . 109 THR N . 26569 1 460 . 1 1 110 110 ARG H H 1 7.904 0.006 . 1 . . . . 110 ARG HN . 26569 1 461 . 1 1 110 110 ARG C C 13 172.412 0.3 . 1 . . . . 110 ARG CO . 26569 1 462 . 1 1 110 110 ARG CA C 13 54.753 0.151 . 1 . . . . 110 ARG CA . 26569 1 463 . 1 1 110 110 ARG CB C 13 28.143 0.145 . 1 . . . . 110 ARG CB . 26569 1 464 . 1 1 110 110 ARG N N 15 129.127 0.14 . 1 . . . . 110 ARG N . 26569 1 465 . 1 1 111 111 LEU H H 1 8.384 0.006 . 1 . . . . 111 LEU HN . 26569 1 466 . 1 1 111 111 LEU C C 13 176.352 0.073 . 1 . . . . 111 LEU CO . 26569 1 467 . 1 1 111 111 LEU CA C 13 53.536 0.284 . 1 . . . . 111 LEU CA . 26569 1 468 . 1 1 111 111 LEU CB C 13 44.078 0.142 . 1 . . . . 111 LEU CB . 26569 1 469 . 1 1 111 111 LEU N N 15 127.485 0.127 . 1 . . . . 111 LEU N . 26569 1 470 . 1 1 112 112 THR H H 1 8.983 0.01 . 1 . . . . 112 THR HN . 26569 1 471 . 1 1 112 112 THR CA C 13 60.656 0.082 . 1 . . . . 112 THR CA . 26569 1 472 . 1 1 112 112 THR CB C 13 69.786 0.172 . 1 . . . . 112 THR CB . 26569 1 473 . 1 1 112 112 THR N N 15 125.475 0.147 . 1 . . . . 112 THR N . 26569 1 474 . 1 1 113 113 VAL C C 13 176.768 0.3 . 1 . . . . 113 VAL CO . 26569 1 475 . 1 1 113 113 VAL CA C 13 59.178 0.3 . 1 . . . . 113 VAL CA . 26569 1 476 . 1 1 113 113 VAL CB C 13 31.646 0.3 . 1 . . . . 113 VAL CB . 26569 1 477 . 1 1 114 114 THR H H 1 8.554 0.004 . 1 . . . . 114 THR HN . 26569 1 478 . 1 1 114 114 THR C C 13 172.521 0.3 . 1 . . . . 114 THR CO . 26569 1 479 . 1 1 114 114 THR CA C 13 58.178 0.096 . 1 . . . . 114 THR CA . 26569 1 480 . 1 1 114 114 THR CB C 13 70.177 0.068 . 1 . . . . 114 THR CB . 26569 1 481 . 1 1 114 114 THR N N 15 120.899 0.059 . 1 . . . . 114 THR N . 26569 1 482 . 1 1 115 115 GLU H H 1 8.973 0.005 . 1 . . . . 115 GLU HN . 26569 1 483 . 1 1 115 115 GLU C C 13 175.987 0.3 . 1 . . . . 115 GLU CO . 26569 1 484 . 1 1 115 115 GLU CA C 13 58.192 0.109 . 1 . . . . 115 GLU CA . 26569 1 485 . 1 1 115 115 GLU CB C 13 29.262 0.054 . 1 . . . . 115 GLU CB . 26569 1 486 . 1 1 115 115 GLU N N 15 126.764 0.3 . 1 . . . . 115 GLU N . 26569 1 487 . 1 1 116 116 ASP H H 1 7.342 0.012 . 1 . . . . 116 ASP HN . 26569 1 488 . 1 1 116 116 ASP C C 13 176.151 0.3 . 1 . . . . 116 ASP CO . 26569 1 489 . 1 1 116 116 ASP CA C 13 53.287 0.192 . 1 . . . . 116 ASP CA . 26569 1 490 . 1 1 116 116 ASP CB C 13 44.082 0.138 . 1 . . . . 116 ASP CB . 26569 1 491 . 1 1 116 116 ASP N N 15 115.467 0.011 . 1 . . . . 116 ASP N . 26569 1 492 . 1 1 117 117 LEU H H 1 9.144 0.002 . 1 . . . . 117 LEU HN . 26569 1 493 . 1 1 117 117 LEU C C 13 177.195 0.066 . 1 . . . . 117 LEU CO . 26569 1 494 . 1 1 117 117 LEU CA C 13 56.815 0.023 . 1 . . . . 117 LEU CA . 26569 1 495 . 1 1 117 117 LEU CB C 13 39.399 0.3 . 1 . . . . 117 LEU CB . 26569 1 496 . 1 1 117 117 LEU N N 15 126.278 0.124 . 1 . . . . 117 LEU N . 26569 1 497 . 1 1 118 118 LYS H H 1 8.9 0.004 . 1 . . . . 118 LYS HN . 26569 1 498 . 1 1 118 118 LYS C C 13 175.768 0.3 . 1 . . . . 118 LYS CO . 26569 1 499 . 1 1 118 118 LYS CA C 13 57.497 0.104 . 1 . . . . 118 LYS CA . 26569 1 500 . 1 1 118 118 LYS CB C 13 29.833 0.252 . 1 . . . . 118 LYS CB . 26569 1 501 . 1 1 118 118 LYS N N 15 117.277 0.151 . 1 . . . . 118 LYS N . 26569 1 502 . 1 1 119 119 ASN H H 1 7.624 0.006 . 1 . . . . 119 ASN HN . 26569 1 503 . 1 1 119 119 ASN C C 13 174.22 0.3 . 1 . . . . 119 ASN CO . 26569 1 504 . 1 1 119 119 ASN CA C 13 53.379 0.207 . 1 . . . . 119 ASN CA . 26569 1 505 . 1 1 119 119 ASN CB C 13 38.005 0.159 . 1 . . . . 119 ASN CB . 26569 1 506 . 1 1 119 119 ASN N N 15 117.63 0.14 . 1 . . . . 119 ASN N . 26569 1 507 . 1 1 120 120 VAL H H 1 7.762 0.007 . 1 . . . . 120 VAL HN . 26569 1 508 . 1 1 120 120 VAL C C 13 175.796 0.3 . 1 . . . . 120 VAL CO . 26569 1 509 . 1 1 120 120 VAL CA C 13 63.033 0.056 . 1 . . . . 120 VAL CA . 26569 1 510 . 1 1 120 120 VAL CB C 13 30.837 0.217 . 1 . . . . 120 VAL CB . 26569 1 511 . 1 1 120 120 VAL N N 15 119.595 0.133 . 1 . . . . 120 VAL N . 26569 1 512 . 1 1 121 121 PHE H H 1 9.692 0.005 . 1 . . . . 121 PHE HN . 26569 1 513 . 1 1 121 121 PHE CA C 13 55.561 0.3 . 1 . . . . 121 PHE CA . 26569 1 514 . 1 1 121 121 PHE CB C 13 44.008 0.171 . 1 . . . . 121 PHE CB . 26569 1 515 . 1 1 121 121 PHE N N 15 128.146 0.148 . 1 . . . . 121 PHE N . 26569 1 516 . 1 1 123 123 PRO C C 13 176.535 0.3 . 1 . . . . 123 PRO CO . 26569 1 517 . 1 1 123 123 PRO CA C 13 61.753 0.3 . 1 . . . . 123 PRO CA . 26569 1 518 . 1 1 123 123 PRO CB C 13 30.578 0.3 . 1 . . . . 123 PRO CB . 26569 1 519 . 1 1 124 124 GLU H H 1 8.736 0.006 . 1 . . . . 124 GLU HN . 26569 1 520 . 1 1 124 124 GLU C C 13 175.891 0.3 . 1 . . . . 124 GLU CO . 26569 1 521 . 1 1 124 124 GLU CA C 13 55.397 0.077 . 1 . . . . 124 GLU CA . 26569 1 522 . 1 1 124 124 GLU CB C 13 30.042 0.201 . 1 . . . . 124 GLU CB . 26569 1 523 . 1 1 124 124 GLU N N 15 120.536 0.14 . 1 . . . . 124 GLU N . 26569 1 524 . 1 1 125 125 VAL H H 1 8.413 0.004 . 1 . . . . 125 VAL HN . 26569 1 525 . 1 1 125 125 VAL C C 13 173.284 0.073 . 1 . . . . 125 VAL CO . 26569 1 526 . 1 1 125 125 VAL CA C 13 61.119 0.101 . 1 . . . . 125 VAL CA . 26569 1 527 . 1 1 125 125 VAL CB C 13 34.27 0.192 . 1 . . . . 125 VAL CB . 26569 1 528 . 1 1 125 125 VAL N N 15 122.863 0.133 . 1 . . . . 125 VAL N . 26569 1 529 . 1 1 126 126 ALA H H 1 8.445 0.007 . 1 . . . . 126 ALA HN . 26569 1 530 . 1 1 126 126 ALA C C 13 174.398 0.3 . 1 . . . . 126 ALA CO . 26569 1 531 . 1 1 126 126 ALA CA C 13 50.466 0.155 . 1 . . . . 126 ALA CA . 26569 1 532 . 1 1 126 126 ALA CB C 13 22.235 0.148 . 1 . . . . 126 ALA CB . 26569 1 533 . 1 1 126 126 ALA N N 15 129.667 0.145 . 1 . . . . 126 ALA N . 26569 1 534 . 1 1 127 127 VAL H H 1 8.453 0.009 . 1 . . . . 127 VAL HN . 26569 1 535 . 1 1 127 127 VAL C C 13 174.338 0.06 . 1 . . . . 127 VAL CO . 26569 1 536 . 1 1 127 127 VAL CA C 13 59.95 0.127 . 1 . . . . 127 VAL CA . 26569 1 537 . 1 1 127 127 VAL CB C 13 34.326 0.142 . 1 . . . . 127 VAL CB . 26569 1 538 . 1 1 127 127 VAL N N 15 120.004 0.133 . 1 . . . . 127 VAL N . 26569 1 539 . 1 1 128 128 PHE H H 1 9.548 0.012 . 1 . . . . 128 PHE HN . 26569 1 540 . 1 1 128 128 PHE C C 13 174.727 0.3 . 1 . . . . 128 PHE CO . 26569 1 541 . 1 1 128 128 PHE CA C 13 56.466 0.137 . 1 . . . . 128 PHE CA . 26569 1 542 . 1 1 128 128 PHE CB C 13 39.891 0.275 . 1 . . . . 128 PHE CB . 26569 1 543 . 1 1 128 128 PHE N N 15 127.585 0.104 . 1 . . . . 128 PHE N . 26569 1 544 . 1 1 129 129 GLU H H 1 8.366 0.01 . 1 . . . . 129 GLU HN . 26569 1 545 . 1 1 129 129 GLU CA C 13 53.917 0.3 . 1 . . . . 129 GLU CA . 26569 1 546 . 1 1 129 129 GLU CB C 13 28.604 0.3 . 1 . . . . 129 GLU CB . 26569 1 547 . 1 1 129 129 GLU N N 15 121.451 0.004 . 1 . . . . 129 GLU N . 26569 1 548 . 1 1 130 130 PRO C C 13 176.315 0.3 . 1 . . . . 130 PRO CO . 26569 1 549 . 1 1 130 130 PRO CA C 13 61.479 0.3 . 1 . . . . 130 PRO CA . 26569 1 550 . 1 1 131 131 SER H H 1 9.37 0.005 . 1 . . . . 131 SER HN . 26569 1 551 . 1 1 131 131 SER C C 13 176.822 0.3 . 1 . . . . 131 SER CO . 26569 1 552 . 1 1 131 131 SER CA C 13 56.37 0.234 . 1 . . . . 131 SER CA . 26569 1 553 . 1 1 131 131 SER CB C 13 64.588 0.205 . 1 . . . . 131 SER CB . 26569 1 554 . 1 1 131 131 SER N N 15 117.086 0.002 . 1 . . . . 131 SER N . 26569 1 555 . 1 1 132 132 GLU H H 1 9.271 0.005 . 1 . . . . 132 GLU HN . 26569 1 556 . 1 1 132 132 GLU CA C 13 58.958 0.3 . 1 . . . . 132 GLU CA . 26569 1 557 . 1 1 132 132 GLU CB C 13 28.001 0.3 . 1 . . . . 132 GLU CB . 26569 1 558 . 1 1 132 132 GLU N N 15 128.613 0.041 . 1 . . . . 132 GLU N . 26569 1 559 . 1 1 133 133 ALA C C 13 173.097 0.3 . 1 . . . . 133 ALA CO . 26569 1 560 . 1 1 134 134 GLU H H 1 7.091 0.001 . 1 . . . . 134 GLU HN . 26569 1 561 . 1 1 134 134 GLU C C 13 175.727 0.3 . 1 . . . . 134 GLU CO . 26569 1 562 . 1 1 134 134 GLU CA C 13 59.082 0.314 . 1 . . . . 134 GLU CA . 26569 1 563 . 1 1 134 134 GLU CB C 13 27.139 0.04 . 1 . . . . 134 GLU CB . 26569 1 564 . 1 1 134 134 GLU N N 15 122.63 0.016 . 1 . . . . 134 GLU N . 26569 1 565 . 1 1 135 135 ILE H H 1 7.621 0.006 . 1 . . . . 135 ILE HN . 26569 1 566 . 1 1 135 135 ILE C C 13 179.685 0.3 . 1 . . . . 135 ILE CO . 26569 1 567 . 1 1 135 135 ILE CA C 13 65.095 0.11 . 1 . . . . 135 ILE CA . 26569 1 568 . 1 1 135 135 ILE CB C 13 37.837 0.137 . 1 . . . . 135 ILE CB . 26569 1 569 . 1 1 135 135 ILE N N 15 125.281 0.3 . 1 . . . . 135 ILE N . 26569 1 570 . 1 1 136 136 SER H H 1 8.276 0.011 . 1 . . . . 136 SER HN . 26569 1 571 . 1 1 136 136 SER C C 13 173.85 0.3 . 1 . . . . 136 SER CO . 26569 1 572 . 1 1 136 136 SER CA C 13 60.463 0.139 . 1 . . . . 136 SER CA . 26569 1 573 . 1 1 136 136 SER CB C 13 62.931 0.137 . 1 . . . . 136 SER CB . 26569 1 574 . 1 1 136 136 SER N N 15 114.117 0.017 . 1 . . . . 136 SER N . 26569 1 575 . 1 1 137 137 HIS H H 1 7.48 0.004 . 1 . . . . 137 HIS HN . 26569 1 576 . 1 1 137 137 HIS CA C 13 55.451 0.3 . 1 . . . . 137 HIS CA . 26569 1 577 . 1 1 137 137 HIS CB C 13 31.316 0.3 . 1 . . . . 137 HIS CB . 26569 1 578 . 1 1 137 137 HIS N N 15 123.095 0.022 . 1 . . . . 137 HIS N . 26569 1 579 . 1 1 138 138 THR C C 13 174.329 0.3 . 1 . . . . 138 THR CO . 26569 1 580 . 1 1 138 138 THR CA C 13 61.972 0.3 . 1 . . . . 138 THR CA . 26569 1 581 . 1 1 138 138 THR CB C 13 67.505 0.3 . 1 . . . . 138 THR CB . 26569 1 582 . 1 1 139 139 GLN H H 1 9.004 0.01 . 1 . . . . 139 GLN HN . 26569 1 583 . 1 1 139 139 GLN CA C 13 57.643 0.3 . 1 . . . . 139 GLN CA . 26569 1 584 . 1 1 139 139 GLN CB C 13 31.727 0.3 . 1 . . . . 139 GLN CB . 26569 1 585 . 1 1 139 139 GLN N N 15 125.456 0.3 . 1 . . . . 139 GLN N . 26569 1 586 . 1 1 140 140 LYS C C 13 175.124 0.3 . 1 . . . . 140 LYS CO . 26569 1 587 . 1 1 140 140 LYS CA C 13 55.041 0.3 . 1 . . . . 140 LYS CA . 26569 1 588 . 1 1 140 140 LYS CB C 13 35.591 0.3 . 1 . . . . 140 LYS CB . 26569 1 589 . 1 1 141 141 ALA H H 1 8.278 0.031 . 1 . . . . 141 ALA HN . 26569 1 590 . 1 1 141 141 ALA C C 13 174.48 0.3 . 1 . . . . 141 ALA CO . 26569 1 591 . 1 1 141 141 ALA CA C 13 54.684 0.3 . 1 . . . . 141 ALA CA . 26569 1 592 . 1 1 141 141 ALA CB C 13 20.933 0.3 . 1 . . . . 141 ALA CB . 26569 1 593 . 1 1 141 141 ALA N N 15 119.43 0.026 . 1 . . . . 141 ALA N . 26569 1 594 . 1 1 142 142 THR H H 1 9.942 0.013 . 1 . . . . 142 THR HN . 26569 1 595 . 1 1 142 142 THR C C 13 173.466 0.3 . 1 . . . . 142 THR CO . 26569 1 596 . 1 1 142 142 THR CA C 13 61.599 0.124 . 1 . . . . 142 THR CA . 26569 1 597 . 1 1 142 142 THR N N 15 123.721 0.3 . 1 . . . . 142 THR N . 26569 1 598 . 1 1 143 143 LEU H H 1 8.988 0.004 . 1 . . . . 143 LEU HN . 26569 1 599 . 1 1 143 143 LEU C C 13 176.672 0.3 . 1 . . . . 143 LEU CO . 26569 1 600 . 1 1 143 143 LEU N N 15 124.889 0.3 . 1 . . . . 143 LEU N . 26569 1 601 . 1 1 144 144 VAL H H 1 7.729 0.05 . 1 . . . . 144 VAL HN . 26569 1 602 . 1 1 144 144 VAL C C 13 172.754 0.3 . 1 . . . . 144 VAL CO . 26569 1 603 . 1 1 144 144 VAL N N 15 117.251 0.3 . 1 . . . . 144 VAL N . 26569 1 604 . 1 1 145 145 CYS H H 1 9.537 0.006 . 1 . . . . 145 CYS HN . 26569 1 605 . 1 1 145 145 CYS C C 13 172.001 0.3 . 1 . . . . 145 CYS CO . 26569 1 606 . 1 1 145 145 CYS CA C 13 52.59 0.042 . 1 . . . . 145 CYS CA . 26569 1 607 . 1 1 145 145 CYS CB C 13 34.549 0.082 . 1 . . . . 145 CYS CB . 26569 1 608 . 1 1 145 145 CYS N N 15 127.49 0.156 . 1 . . . . 145 CYS N . 26569 1 609 . 1 1 146 146 LEU H H 1 9.147 0.006 . 1 . . . . 146 LEU HN . 26569 1 610 . 1 1 146 146 LEU C C 13 174.275 0.3 . 1 . . . . 146 LEU CO . 26569 1 611 . 1 1 146 146 LEU CA C 13 53.205 0.3 . 1 . . . . 146 LEU CA . 26569 1 612 . 1 1 146 146 LEU CB C 13 45.452 0.3 . 1 . . . . 146 LEU CB . 26569 1 613 . 1 1 146 146 LEU N N 15 127.185 0.3 . 1 . . . . 146 LEU N . 26569 1 614 . 1 1 147 147 ALA H H 1 9.191 0.012 . 1 . . . . 147 ALA HN . 26569 1 615 . 1 1 147 147 ALA C C 13 176.179 0.3 . 1 . . . . 147 ALA CO . 26569 1 616 . 1 1 147 147 ALA CA C 13 48.549 0.3 . 1 . . . . 147 ALA CA . 26569 1 617 . 1 1 147 147 ALA CB C 13 19.784 0.3 . 1 . . . . 147 ALA CB . 26569 1 618 . 1 1 147 147 ALA N N 15 131.26 0.3 . 1 . . . . 147 ALA N . 26569 1 619 . 1 1 148 148 THR H H 1 9.377 0.004 . 1 . . . . 148 THR HN . 26569 1 620 . 1 1 148 148 THR C C 13 175.343 0.3 . 1 . . . . 148 THR CO . 26569 1 621 . 1 1 148 148 THR CA C 13 59.89 0.3 . 1 . . . . 148 THR CA . 26569 1 622 . 1 1 148 148 THR CB C 13 71.547 0.143 . 1 . . . . 148 THR CB . 26569 1 623 . 1 1 148 148 THR N N 15 112.416 0.14 . 1 . . . . 148 THR N . 26569 1 624 . 1 1 149 149 GLY H H 1 8.33 0.006 . 1 . . . . 149 GLY HN . 26569 1 625 . 1 1 149 149 GLY C C 13 174.562 0.3 . 1 . . . . 149 GLY CO . 26569 1 626 . 1 1 149 149 GLY CA C 13 46.521 0.001 . 1 . . . . 149 GLY CA . 26569 1 627 . 1 1 149 149 GLY N N 15 109.346 0.3 . 1 . . . . 149 GLY N . 26569 1 628 . 1 1 150 150 PHE H H 1 7.66 0.007 . 1 . . . . 150 PHE HN . 26569 1 629 . 1 1 150 150 PHE C C 13 175.179 0.3 . 1 . . . . 150 PHE CO . 26569 1 630 . 1 1 150 150 PHE CA C 13 53.863 0.077 . 1 . . . . 150 PHE CA . 26569 1 631 . 1 1 150 150 PHE CB C 13 40.494 0.22 . 1 . . . . 150 PHE CB . 26569 1 632 . 1 1 150 150 PHE N N 15 113.685 0.3 . 1 . . . . 150 PHE N . 26569 1 633 . 1 1 151 151 TYR H H 1 9.672 0.003 . 1 . . . . 151 TYR HN . 26569 1 634 . 1 1 151 151 TYR CA C 13 58.027 0.3 . 1 . . . . 151 TYR CA . 26569 1 635 . 1 1 151 151 TYR CB C 13 41.816 0.171 . 1 . . . . 151 TYR CB . 26569 1 636 . 1 1 151 151 TYR N N 15 121.186 0.14 . 1 . . . . 151 TYR N . 26569 1 637 . 1 1 154 154 HIS H H 1 7.37 0.05 . 1 . . . . 154 HIS HN . 26569 1 638 . 1 1 154 154 HIS N N 15 122.79 0.3 . 1 . . . . 154 HIS N . 26569 1 639 . 1 1 155 155 VAL C C 13 174.948 0.011 . 1 . . . . 155 VAL CO . 26569 1 640 . 1 1 155 155 VAL CA C 13 57.014 0.029 . 1 . . . . 155 VAL CA . 26569 1 641 . 1 1 155 155 VAL CB C 13 35.783 0.3 . 1 . . . . 155 VAL CB . 26569 1 642 . 1 1 156 156 GLU H H 1 8.123 0.004 . 1 . . . . 156 GLU HN . 26569 1 643 . 1 1 156 156 GLU C C 13 174.836 0.3 . 1 . . . . 156 GLU CO . 26569 1 644 . 1 1 156 156 GLU CA C 13 55.068 0.078 . 1 . . . . 156 GLU CA . 26569 1 645 . 1 1 156 156 GLU CB C 13 33.12 0.173 . 1 . . . . 156 GLU CB . 26569 1 646 . 1 1 156 156 GLU N N 15 117.787 0.145 . 1 . . . . 156 GLU N . 26569 1 647 . 1 1 157 157 LEU H H 1 9.362 0.003 . 1 . . . . 157 LEU HN . 26569 1 648 . 1 1 157 157 LEU C C 13 175.799 0.032 . 1 . . . . 157 LEU CO . 26569 1 649 . 1 1 157 157 LEU CA C 13 54.795 0.166 . 1 . . . . 157 LEU CA . 26569 1 650 . 1 1 157 157 LEU CB C 13 44.571 0.252 . 1 . . . . 157 LEU CB . 26569 1 651 . 1 1 157 157 LEU N N 15 132.249 0.133 . 1 . . . . 157 LEU N . 26569 1 652 . 1 1 158 158 SER H H 1 9.762 0.008 . 1 . . . . 158 SER HN . 26569 1 653 . 1 1 158 158 SER C C 13 171.713 0.3 . 1 . . . . 158 SER CO . 26569 1 654 . 1 1 158 158 SER CA C 13 56.968 0.025 . 1 . . . . 158 SER CA . 26569 1 655 . 1 1 158 158 SER CB C 13 66.341 0.231 . 1 . . . . 158 SER CB . 26569 1 656 . 1 1 158 158 SER N N 15 122.286 0.152 . 1 . . . . 158 SER N . 26569 1 657 . 1 1 159 159 TRP H H 1 9.031 0.009 . 1 . . . . 159 TRP HN . 26569 1 658 . 1 1 159 159 TRP C C 13 175.466 0.3 . 1 . . . . 159 TRP CO . 26569 1 659 . 1 1 159 159 TRP CA C 13 56.287 0.123 . 1 . . . . 159 TRP CA . 26569 1 660 . 1 1 159 159 TRP CB C 13 32.18 0.096 . 1 . . . . 159 TRP CB . 26569 1 661 . 1 1 159 159 TRP N N 15 120.733 0.3 . 1 . . . . 159 TRP N . 26569 1 662 . 1 1 160 160 TRP H H 1 9.517 0.009 . 1 . . . . 160 TRP HN . 26569 1 663 . 1 1 160 160 TRP C C 13 176.699 0.3 . 1 . . . . 160 TRP CO . 26569 1 664 . 1 1 160 160 TRP CA C 13 55.177 0.055 . 1 . . . . 160 TRP CA . 26569 1 665 . 1 1 160 160 TRP CB C 13 29.536 0.165 . 1 . . . . 160 TRP CB . 26569 1 666 . 1 1 160 160 TRP N N 15 121.118 0.057 . 1 . . . . 160 TRP N . 26569 1 667 . 1 1 161 161 VAL H H 1 9.23 0.007 . 1 . . . . 161 VAL HN . 26569 1 668 . 1 1 161 161 VAL C C 13 176.572 0.127 . 1 . . . . 161 VAL CO . 26569 1 669 . 1 1 161 161 VAL CA C 13 60.133 0.108 . 1 . . . . 161 VAL CA . 26569 1 670 . 1 1 161 161 VAL CB C 13 32.645 0.189 . 1 . . . . 161 VAL CB . 26569 1 671 . 1 1 161 161 VAL N N 15 127.096 0.133 . 1 . . . . 161 VAL N . 26569 1 672 . 1 1 162 162 ASN H H 1 9.618 0.005 . 1 . . . . 162 ASN HN . 26569 1 673 . 1 1 162 162 ASN C C 13 176.014 0.3 . 1 . . . . 162 ASN CO . 26569 1 674 . 1 1 162 162 ASN CA C 13 54.146 0.246 . 1 . . . . 162 ASN CA . 26569 1 675 . 1 1 162 162 ASN CB C 13 36.426 0.143 . 1 . . . . 162 ASN CB . 26569 1 676 . 1 1 162 162 ASN N N 15 128.794 0.151 . 1 . . . . 162 ASN N . 26569 1 677 . 1 1 163 163 GLY H H 1 8.973 0.008 . 1 . . . . 163 GLY HN . 26569 1 678 . 1 1 163 163 GLY C C 13 173.768 0.3 . 1 . . . . 163 GLY CO . 26569 1 679 . 1 1 163 163 GLY CA C 13 45.243 0.13 . 1 . . . . 163 GLY CA . 26569 1 680 . 1 1 163 163 GLY N N 15 102.586 0.3 . 1 . . . . 163 GLY N . 26569 1 681 . 1 1 164 164 LYS H H 1 7.774 0.006 . 1 . . . . 164 LYS HN . 26569 1 682 . 1 1 164 164 LYS C C 13 174.179 0.3 . 1 . . . . 164 LYS CO . 26569 1 683 . 1 1 164 164 LYS CA C 13 54.137 0.155 . 1 . . . . 164 LYS CA . 26569 1 684 . 1 1 164 164 LYS CB C 13 34.417 0.161 . 1 . . . . 164 LYS CB . 26569 1 685 . 1 1 164 164 LYS N N 15 121.083 0.148 . 1 . . . . 164 LYS N . 26569 1 686 . 1 1 165 165 GLU H H 1 7.978 0.005 . 1 . . . . 165 GLU HN . 26569 1 687 . 1 1 165 165 GLU C C 13 176.74 0.3 . 1 . . . . 165 GLU CO . 26569 1 688 . 1 1 165 165 GLU CA C 13 56.219 0.155 . 1 . . . . 165 GLU CA . 26569 1 689 . 1 1 165 165 GLU CB C 13 27.86 0.252 . 1 . . . . 165 GLU CB . 26569 1 690 . 1 1 165 165 GLU N N 15 128.183 0.138 . 1 . . . . 165 GLU N . 26569 1 691 . 1 1 166 166 VAL H H 1 8.088 0.003 . 1 . . . . 166 VAL HN . 26569 1 692 . 1 1 166 166 VAL CA C 13 60.383 0.3 . 1 . . . . 166 VAL CA . 26569 1 693 . 1 1 166 166 VAL CB C 13 33.87 0.171 . 1 . . . . 166 VAL CB . 26569 1 694 . 1 1 166 166 VAL N N 15 122.98 0.135 . 1 . . . . 166 VAL N . 26569 1 695 . 1 1 168 168 SER C C 13 174.631 0.3 . 1 . . . . 168 SER CO . 26569 1 696 . 1 1 169 169 GLY H H 1 8.368 0.003 . 1 . . . . 169 GLY HN . 26569 1 697 . 1 1 169 169 GLY C C 13 171.069 0.3 . 1 . . . . 169 GLY CO . 26569 1 698 . 1 1 169 169 GLY CA C 13 46.064 0.052 . 1 . . . . 169 GLY CA . 26569 1 699 . 1 1 169 169 GLY N N 15 113.439 0.3 . 1 . . . . 169 GLY N . 26569 1 700 . 1 1 170 170 VAL H H 1 7.054 0.004 . 1 . . . . 170 VAL HN . 26569 1 701 . 1 1 170 170 VAL C C 13 179.206 0.3 . 1 . . . . 170 VAL CO . 26569 1 702 . 1 1 170 170 VAL CA C 13 59.122 0.3 . 1 . . . . 170 VAL CA . 26569 1 703 . 1 1 170 170 VAL CB C 13 34.966 0.172 . 1 . . . . 170 VAL CB . 26569 1 704 . 1 1 170 170 VAL N N 15 114.933 0.14 . 1 . . . . 170 VAL N . 26569 1 705 . 1 1 171 171 CYS H H 1 7.021 0.004 . 1 . . . . 171 CYS HN . 26569 1 706 . 1 1 171 171 CYS N N 15 120.945 0.002 . 1 . . . . 171 CYS N . 26569 1 707 . 1 1 172 172 THR C C 13 172.247 0.3 . 1 . . . . 172 THR CO . 26569 1 708 . 1 1 173 173 ASP H H 1 8.19 0.008 . 1 . . . . 173 ASP HN . 26569 1 709 . 1 1 173 173 ASP CA C 13 53.862 0.3 . 1 . . . . 173 ASP CA . 26569 1 710 . 1 1 173 173 ASP N N 15 127.876 0.3 . 1 . . . . 173 ASP N . 26569 1 711 . 1 1 174 174 PRO C C 13 176.74 0.3 . 1 . . . . 174 PRO CO . 26569 1 712 . 1 1 174 174 PRO CA C 13 64.054 0.3 . 1 . . . . 174 PRO CA . 26569 1 713 . 1 1 174 174 PRO CB C 13 31.454 0.3 . 1 . . . . 174 PRO CB . 26569 1 714 . 1 1 175 175 GLN H H 1 7.486 0.004 . 1 . . . . 175 GLN HN . 26569 1 715 . 1 1 175 175 GLN CA C 13 52.602 0.3 . 1 . . . . 175 GLN CA . 26569 1 716 . 1 1 175 175 GLN CB C 13 30.2 0.171 . 1 . . . . 175 GLN CB . 26569 1 717 . 1 1 175 175 GLN N N 15 113.262 0.148 . 1 . . . . 175 GLN N . 26569 1 718 . 1 1 176 176 PRO C C 13 175.781 0.3 . 1 . . . . 176 PRO CO . 26569 1 719 . 1 1 176 176 PRO CA C 13 62.684 0.3 . 1 . . . . 176 PRO CA . 26569 1 720 . 1 1 176 176 PRO CB C 13 32.331 0.3 . 1 . . . . 176 PRO CB . 26569 1 721 . 1 1 177 177 LEU H H 1 9.379 0.003 . 1 . . . . 177 LEU HN . 26569 1 722 . 1 1 177 177 LEU C C 13 174.494 0.3 . 1 . . . . 177 LEU CO . 26569 1 723 . 1 1 177 177 LEU CA C 13 53.474 0.17 . 1 . . . . 177 LEU CA . 26569 1 724 . 1 1 177 177 LEU CB C 13 43.74 0.013 . 1 . . . . 177 LEU CB . 26569 1 725 . 1 1 177 177 LEU N N 15 123.916 0.3 . 1 . . . . 177 LEU N . 26569 1 726 . 1 1 178 178 LYS H H 1 8.56 0.007 . 1 . . . . 178 LYS HN . 26569 1 727 . 1 1 178 178 LYS C C 13 174.138 0.3 . 1 . . . . 178 LYS CO . 26569 1 728 . 1 1 178 178 LYS CA C 13 59.862 0.3 . 1 . . . . 178 LYS CA . 26569 1 729 . 1 1 178 178 LYS CB C 13 32.822 0.3 . 1 . . . . 178 LYS CB . 26569 1 730 . 1 1 178 178 LYS N N 15 120.388 0.046 . 1 . . . . 178 LYS N . 26569 1 731 . 1 1 179 179 GLU H H 1 8.327 0.005 . 1 . . . . 179 GLU HN . 26569 1 732 . 1 1 179 179 GLU C C 13 178.151 0.3 . 1 . . . . 179 GLU CO . 26569 1 733 . 1 1 179 179 GLU CA C 13 58.438 0.137 . 1 . . . . 179 GLU CA . 26569 1 734 . 1 1 179 179 GLU CB C 13 29.152 0.166 . 1 . . . . 179 GLU CB . 26569 1 735 . 1 1 179 179 GLU N N 15 122.374 0.3 . 1 . . . . 179 GLU N . 26569 1 736 . 1 1 180 180 GLN H H 1 8.47 0.008 . 1 . . . . 180 GLN HN . 26569 1 737 . 1 1 180 180 GLN CA C 13 52.821 0.3 . 1 . . . . 180 GLN CA . 26569 1 738 . 1 1 180 180 GLN CB C 13 29.151 0.3 . 1 . . . . 180 GLN CB . 26569 1 739 . 1 1 180 180 GLN N N 15 118.164 0.3 . 1 . . . . 180 GLN N . 26569 1 740 . 1 1 181 181 PRO C C 13 176.90 0.3 . 1 . . . . 181 PRO CO . 26569 1 741 . 1 1 181 181 PRO CA C 13 64.712 0.3 . 1 . . . . 181 PRO CA . 26569 1 742 . 1 1 181 181 PRO CB C 13 31.454 0.3 . 1 . . . . 181 PRO CB . 26569 1 743 . 1 1 182 182 ALA H H 1 8.306 0.004 . 1 . . . . 182 ALA HN . 26569 1 744 . 1 1 182 182 ALA C C 13 177.713 0.3 . 1 . . . . 182 ALA CO . 26569 1 745 . 1 1 182 182 ALA CA C 13 52.548 0.077 . 1 . . . . 182 ALA CA . 26569 1 746 . 1 1 182 182 ALA CB C 13 18.126 0.248 . 1 . . . . 182 ALA CB . 26569 1 747 . 1 1 182 182 ALA N N 15 118.807 0.14 . 1 . . . . 182 ALA N . 26569 1 748 . 1 1 183 183 LEU H H 1 8.011 0.005 . 1 . . . . 183 LEU HN . 26569 1 749 . 1 1 183 183 LEU CA C 13 53.589 0.3 . 1 . . . . 183 LEU CA . 26569 1 750 . 1 1 183 183 LEU CB C 13 42.145 0.171 . 1 . . . . 183 LEU CB . 26569 1 751 . 1 1 183 183 LEU N N 15 119.432 0.133 . 1 . . . . 183 LEU N . 26569 1 752 . 1 1 184 184 ASN C C 13 175.631 0.3 . 1 . . . . 184 ASN CO . 26569 1 753 . 1 1 184 184 ASN CA C 13 55.233 0.3 . 1 . . . . 184 ASN CA . 26569 1 754 . 1 1 184 184 ASN CB C 13 37.7 0.3 . 1 . . . . 184 ASN CB . 26569 1 755 . 1 1 185 185 ASP H H 1 8.193 0.004 . 1 . . . . 185 ASP HN . 26569 1 756 . 1 1 185 185 ASP C C 13 173.631 0.3 . 1 . . . . 185 ASP CO . 26569 1 757 . 1 1 185 185 ASP CA C 13 52.548 0.155 . 1 . . . . 185 ASP CA . 26569 1 758 . 1 1 185 185 ASP CB C 13 38.234 0.148 . 1 . . . . 185 ASP CB . 26569 1 759 . 1 1 185 185 ASP N N 15 117.862 0.14 . 1 . . . . 185 ASP N . 26569 1 760 . 1 1 186 186 SER H H 1 6.604 0.006 . 1 . . . . 186 SER HN . 26569 1 761 . 1 1 186 186 SER C C 13 174.412 0.3 . 1 . . . . 186 SER CO . 26569 1 762 . 1 1 186 186 SER CA C 13 57.588 0.3 . 1 . . . . 186 SER CA . 26569 1 763 . 1 1 186 186 SER CB C 13 63.401 0.158 . 1 . . . . 186 SER CB . 26569 1 764 . 1 1 186 186 SER N N 15 110.336 0.14 . 1 . . . . 186 SER N . 26569 1 765 . 1 1 187 187 ARG H H 1 8.333 0.003 . 1 . . . . 187 ARG HN . 26569 1 766 . 1 1 187 187 ARG C C 13 175.987 0.3 . 1 . . . . 187 ARG CO . 26569 1 767 . 1 1 187 187 ARG CA C 13 56.329 0.109 . 1 . . . . 187 ARG CA . 26569 1 768 . 1 1 187 187 ARG CB C 13 30.372 0.371 . 1 . . . . 187 ARG CB . 26569 1 769 . 1 1 187 187 ARG N N 15 123.255 0.135 . 1 . . . . 187 ARG N . 26569 1 770 . 1 1 188 188 TYR H H 1 9.084 0.005 . 1 . . . . 188 TYR HN . 26569 1 771 . 1 1 188 188 TYR C C 13 172.425 0.3 . 1 . . . . 188 TYR CO . 26569 1 772 . 1 1 188 188 TYR CA C 13 57.826 0.09 . 1 . . . . 188 TYR CA . 26569 1 773 . 1 1 188 188 TYR CB C 13 43.074 0.145 . 1 . . . . 188 TYR CB . 26569 1 774 . 1 1 188 188 TYR N N 15 121.422 0.139 . 1 . . . . 188 TYR N . 26569 1 775 . 1 1 189 189 ALA H H 1 8.624 0.004 . 1 . . . . 189 ALA HN . 26569 1 776 . 1 1 189 189 ALA C C 13 176.137 0.3 . 1 . . . . 189 ALA CO . 26569 1 777 . 1 1 189 189 ALA CA C 13 50.137 0.3 . 1 . . . . 189 ALA CA . 26569 1 778 . 1 1 189 189 ALA CB C 13 23.732 0.207 . 1 . . . . 189 ALA CB . 26569 1 779 . 1 1 189 189 ALA N N 15 116.174 0.14 . 1 . . . . 189 ALA N . 26569 1 780 . 1 1 190 190 LEU H H 1 9.475 0.006 . 1 . . . . 190 LEU HN . 26569 1 781 . 1 1 190 190 LEU C C 13 172.576 0.3 . 1 . . . . 190 LEU CO . 26569 1 782 . 1 1 190 190 LEU CA C 13 55.013 0.3 . 1 . . . . 190 LEU CA . 26569 1 783 . 1 1 190 190 LEU CB C 13 47.953 0.171 . 1 . . . . 190 LEU CB . 26569 1 784 . 1 1 190 190 LEU N N 15 121.018 0.133 . 1 . . . . 190 LEU N . 26569 1 785 . 1 1 191 191 SER H H 1 9.224 0.009 . 1 . . . . 191 SER HN . 26569 1 786 . 1 1 191 191 SER C C 13 172.631 0.3 . 1 . . . . 191 SER CO . 26569 1 787 . 1 1 191 191 SER CA C 13 56.082 0.028 . 1 . . . . 191 SER CA . 26569 1 788 . 1 1 191 191 SER N N 15 123.057 0.3 . 1 . . . . 191 SER N . 26569 1 789 . 1 1 192 192 SER H H 1 8.806 0.003 . 1 . . . . 192 SER HN . 26569 1 790 . 1 1 192 192 SER CA C 13 56.054 0.3 . 1 . . . . 192 SER CA . 26569 1 791 . 1 1 192 192 SER CB C 13 65.314 0.3 . 1 . . . . 192 SER CB . 26569 1 792 . 1 1 192 192 SER N N 15 111.266 0.3 . 1 . . . . 192 SER N . 26569 1 793 . 1 1 193 193 ARG C C 13 173.014 0.3 . 1 . . . . 193 ARG CO . 26569 1 794 . 1 1 194 194 LEU H H 1 7.898 0.007 . 1 . . . . 194 LEU HN . 26569 1 795 . 1 1 194 194 LEU C C 13 172.727 0.3 . 1 . . . . 194 LEU CO . 26569 1 796 . 1 1 194 194 LEU CA C 13 52.617 0.124 . 1 . . . . 194 LEU CA . 26569 1 797 . 1 1 194 194 LEU CB C 13 40.358 0.3 . 1 . . . . 194 LEU CB . 26569 1 798 . 1 1 194 194 LEU N N 15 122.478 0.3 . 1 . . . . 194 LEU N . 26569 1 799 . 1 1 195 195 ARG H H 1 9.002 0.009 . 1 . . . . 195 ARG HN . 26569 1 800 . 1 1 195 195 ARG C C 13 174.398 0.3 . 1 . . . . 195 ARG CO . 26569 1 801 . 1 1 195 195 ARG CA C 13 53.863 0.192 . 1 . . . . 195 ARG CA . 26569 1 802 . 1 1 195 195 ARG CB C 13 35.398 0.355 . 1 . . . . 195 ARG CB . 26569 1 803 . 1 1 195 195 ARG N N 15 129.693 0.265 . 1 . . . . 195 ARG N . 26569 1 804 . 1 1 196 196 VAL H H 1 8.597 0.004 . 1 . . . . 196 VAL HN . 26569 1 805 . 1 1 196 196 VAL C C 13 175.466 0.3 . 1 . . . . 196 VAL CO . 26569 1 806 . 1 1 196 196 VAL CA C 13 57.602 0.179 . 1 . . . . 196 VAL CA . 26569 1 807 . 1 1 196 196 VAL CB C 13 35.467 0.179 . 1 . . . . 196 VAL CB . 26569 1 808 . 1 1 196 196 VAL N N 15 116.709 0.3 . 1 . . . . 196 VAL N . 26569 1 809 . 1 1 197 197 SER H H 1 8.59 0.01 . 1 . . . . 197 SER HN . 26569 1 810 . 1 1 197 197 SER C C 13 172.083 0.3 . 1 . . . . 197 SER CO . 26569 1 811 . 1 1 197 197 SER CA C 13 58.739 0.3 . 1 . . . . 197 SER CA . 26569 1 812 . 1 1 197 197 SER CB C 13 63.177 0.3 . 1 . . . . 197 SER CB . 26569 1 813 . 1 1 197 197 SER N N 15 115.588 0.3 . 1 . . . . 197 SER N . 26569 1 814 . 1 1 198 198 ALA H H 1 8.216 0.001 . 1 . . . . 198 ALA HN . 26569 1 815 . 1 1 198 198 ALA C C 13 178.713 0.3 . 1 . . . . 198 ALA CO . 26569 1 816 . 1 1 198 198 ALA CA C 13 55.562 0.3 . 1 . . . . 198 ALA CA . 26569 1 817 . 1 1 198 198 ALA CB C 13 18.634 0.3 . 1 . . . . 198 ALA CB . 26569 1 818 . 1 1 198 198 ALA N N 15 121.329 0.3 . 1 . . . . 198 ALA N . 26569 1 819 . 1 1 199 199 THR H H 1 7.872 0.004 . 1 . . . . 199 THR HN . 26569 1 820 . 1 1 199 199 THR C C 13 175.631 0.3 . 1 . . . . 199 THR CO . 26569 1 821 . 1 1 199 199 THR CA C 13 64.383 0.077 . 1 . . . . 199 THR CA . 26569 1 822 . 1 1 199 199 THR CB C 13 68.346 0.025 . 1 . . . . 199 THR CB . 26569 1 823 . 1 1 199 199 THR N N 15 107.512 0.006 . 1 . . . . 199 THR N . 26569 1 824 . 1 1 200 200 PHE H H 1 7.688 0.004 . 1 . . . . 200 PHE HN . 26569 1 825 . 1 1 200 200 PHE CA C 13 61.04 0.3 . 1 . . . . 200 PHE CA . 26569 1 826 . 1 1 200 200 PHE CB C 13 39.891 0.3 . 1 . . . . 200 PHE CB . 26569 1 827 . 1 1 200 200 PHE N N 15 124.302 0.3 . 1 . . . . 200 PHE N . 26569 1 828 . 1 1 201 201 TRP C C 13 174.453 0.3 . 1 . . . . 201 TRP CO . 26569 1 829 . 1 1 201 201 TRP CA C 13 58.685 0.3 . 1 . . . . 201 TRP CA . 26569 1 830 . 1 1 201 201 TRP CB C 13 28.277 0.000 . 1 . . . . 201 TRP CB . 26569 1 831 . 1 1 202 202 GLN H H 1 7.761 0.416 . 1 . . . . 202 GLN HN . 26569 1 832 . 1 1 202 202 GLN C C 13 175.206 0.3 . 1 . . . . 202 GLN CO . 26569 1 833 . 1 1 202 202 GLN CA C 13 54.109 0.137 . 1 . . . . 202 GLN CA . 26569 1 834 . 1 1 202 202 GLN CB C 13 26.769 0.138 . 1 . . . . 202 GLN CB . 26569 1 835 . 1 1 202 202 GLN N N 15 113.007 0.000 . 1 . . . . 202 GLN N . 26569 1 836 . 1 1 203 203 ASN H H 1 6.992 0.006 . 1 . . . . 203 ASN HN . 26569 1 837 . 1 1 203 203 ASN CA C 13 48.986 0.3 . 1 . . . . 203 ASN CA . 26569 1 838 . 1 1 203 203 ASN CB C 13 38.576 0.3 . 1 . . . . 203 ASN CB . 26569 1 839 . 1 1 203 203 ASN N N 15 118.339 0.006 . 1 . . . . 203 ASN N . 26569 1 840 . 1 1 204 204 PRO C C 13 176.589 0.3 . 1 . . . . 204 PRO CO . 26569 1 841 . 1 1 204 204 PRO CA C 13 62.465 0.3 . 1 . . . . 204 PRO CA . 26569 1 842 . 1 1 204 204 PRO CB C 13 31.29 0.3 . 1 . . . . 204 PRO CB . 26569 1 843 . 1 1 205 205 ARG H H 1 7.667 0.006 . 1 . . . . 205 ARG HN . 26569 1 844 . 1 1 205 205 ARG C C 13 176.863 0.3 . 1 . . . . 205 ARG CO . 26569 1 845 . 1 1 205 205 ARG CA C 13 55.424 0.027 . 1 . . . . 205 ARG CA . 26569 1 846 . 1 1 205 205 ARG CB C 13 28.934 0.329 . 1 . . . . 205 ARG CB . 26569 1 847 . 1 1 205 205 ARG N N 15 115.626 0.3 . 1 . . . . 205 ARG N . 26569 1 848 . 1 1 206 206 ASN H H 1 7.613 0.012 . 1 . . . . 206 ASN HN . 26569 1 849 . 1 1 206 206 ASN C C 13 172.015 0.3 . 1 . . . . 206 ASN CO . 26569 1 850 . 1 1 206 206 ASN CA C 13 52.347 0.09 . 1 . . . . 206 ASN CA . 26569 1 851 . 1 1 206 206 ASN CB C 13 37.996 0.285 . 1 . . . . 206 ASN CB . 26569 1 852 . 1 1 206 206 ASN N N 15 118.079 0.14 . 1 . . . . 206 ASN N . 26569 1 853 . 1 1 207 207 HIS H H 1 8.224 0.005 . 1 . . . . 207 HIS HN . 26569 1 854 . 1 1 207 207 HIS C C 13 173.11 0.3 . 1 . . . . 207 HIS CO . 26569 1 855 . 1 1 207 207 HIS CA C 13 54.977 0.09 . 1 . . . . 207 HIS CA . 26569 1 856 . 1 1 207 207 HIS CB C 13 34.051 0.354 . 1 . . . . 207 HIS CB . 26569 1 857 . 1 1 207 207 HIS N N 15 122.854 0.14 . 1 . . . . 207 HIS N . 26569 1 858 . 1 1 208 208 PHE H H 1 8.496 0.003 . 1 . . . . 208 PHE HN . 26569 1 859 . 1 1 208 208 PHE C C 13 173.549 0.3 . 1 . . . . 208 PHE CO . 26569 1 860 . 1 1 208 208 PHE CA C 13 55.872 0.246 . 1 . . . . 208 PHE CA . 26569 1 861 . 1 1 208 208 PHE CB C 13 41.211 0.183 . 1 . . . . 208 PHE CB . 26569 1 862 . 1 1 208 208 PHE N N 15 124.816 0.14 . 1 . . . . 208 PHE N . 26569 1 863 . 1 1 209 209 ARG H H 1 9.303 0.004 . 1 . . . . 209 ARG HN . 26569 1 864 . 1 1 209 209 ARG C C 13 173.603 0.3 . 1 . . . . 209 ARG CO . 26569 1 865 . 1 1 209 209 ARG CA C 13 54.21 0.065 . 1 . . . . 209 ARG CA . 26569 1 866 . 1 1 209 209 ARG CB C 13 34.289 0.202 . 1 . . . . 209 ARG CB . 26569 1 867 . 1 1 209 209 ARG N N 15 122.264 0.14 . 1 . . . . 209 ARG N . 26569 1 868 . 1 1 210 210 CYS H H 1 8.798 0.004 . 1 . . . . 210 CYS HN . 26569 1 869 . 1 1 210 210 CYS C C 13 171.727 0.3 . 1 . . . . 210 CYS CO . 26569 1 870 . 1 1 210 210 CYS CA C 13 52.109 0.115 . 1 . . . . 210 CYS CA . 26569 1 871 . 1 1 210 210 CYS CB C 13 41.613 0.285 . 1 . . . . 210 CYS CB . 26569 1 872 . 1 1 210 210 CYS N N 15 127.531 0.14 . 1 . . . . 210 CYS N . 26569 1 873 . 1 1 211 211 GLN H H 1 9.292 0.012 . 1 . . . . 211 GLN HN . 26569 1 874 . 1 1 211 211 GLN C C 13 173.521 0.3 . 1 . . . . 211 GLN CO . 26569 1 875 . 1 1 211 211 GLN CA C 13 54.155 0.278 . 1 . . . . 211 GLN CA . 26569 1 876 . 1 1 211 211 GLN CB C 13 31.786 0.146 . 1 . . . . 211 GLN CB . 26569 1 877 . 1 1 211 211 GLN N N 15 127.089 0.14 . 1 . . . . 211 GLN N . 26569 1 878 . 1 1 212 212 VAL H H 1 8.968 0.005 . 1 . . . . 212 VAL HN . 26569 1 879 . 1 1 212 212 VAL C C 13 174.439 0.3 . 1 . . . . 212 VAL CO . 26569 1 880 . 1 1 212 212 VAL CA C 13 60.643 0.071 . 1 . . . . 212 VAL CA . 26569 1 881 . 1 1 212 212 VAL CB C 13 31.535 0.029 . 1 . . . . 212 VAL CB . 26569 1 882 . 1 1 212 212 VAL N N 15 125.41 0.085 . 1 . . . . 212 VAL N . 26569 1 883 . 1 1 213 213 GLN H H 1 8.693 0.005 . 1 . . . . 213 GLN HN . 26569 1 884 . 1 1 213 213 GLN C C 13 172.617 0.3 . 1 . . . . 213 GLN CO . 26569 1 885 . 1 1 213 213 GLN CA C 13 54.959 0.328 . 1 . . . . 213 GLN CA . 26569 1 886 . 1 1 213 213 GLN CB C 13 28.851 0.028 . 1 . . . . 213 GLN CB . 26569 1 887 . 1 1 213 213 GLN N N 15 128.084 0.006 . 1 . . . . 213 GLN N . 26569 1 888 . 1 1 214 214 PHE H H 1 8.887 0.003 . 1 . . . . 214 PHE HN . 26569 1 889 . 1 1 214 214 PHE C C 13 173.412 0.3 . 1 . . . . 214 PHE CO . 26569 1 890 . 1 1 214 214 PHE CA C 13 54.603 0.027 . 1 . . . . 214 PHE CA . 26569 1 891 . 1 1 214 214 PHE CB C 13 41.508 0.137 . 1 . . . . 214 PHE CB . 26569 1 892 . 1 1 214 214 PHE N N 15 128.851 0.009 . 1 . . . . 214 PHE N . 26569 1 893 . 1 1 215 215 TYR H H 1 7.422 0.013 . 1 . . . . 215 TYR HN . 26569 1 894 . 1 1 215 215 TYR C C 13 176.713 0.3 . 1 . . . . 215 TYR CO . 26569 1 895 . 1 1 215 215 TYR CA C 13 57.588 0.3 . 1 . . . . 215 TYR CA . 26569 1 896 . 1 1 215 215 TYR CB C 13 36.439 0.3 . 1 . . . . 215 TYR CB . 26569 1 897 . 1 1 215 215 TYR N N 15 129.057 0.021 . 1 . . . . 215 TYR N . 26569 1 898 . 1 1 216 216 GLY H H 1 7.967 0.001 . 1 . . . . 216 GLY HN . 26569 1 899 . 1 1 216 216 GLY C C 13 172.275 0.3 . 1 . . . . 216 GLY CO . 26569 1 900 . 1 1 216 216 GLY CA C 13 43.59 0.3 . 1 . . . . 216 GLY CA . 26569 1 901 . 1 1 216 216 GLY N N 15 104.786 0.3 . 1 . . . . 216 GLY N . 26569 1 902 . 1 1 217 217 LEU H H 1 8.321 0.005 . 1 . . . . 217 LEU HN . 26569 1 903 . 1 1 217 217 LEU C C 13 176.14 0.052 . 1 . . . . 217 LEU CO . 26569 1 904 . 1 1 217 217 LEU CA C 13 54.484 0.101 . 1 . . . . 217 LEU CA . 26569 1 905 . 1 1 217 217 LEU CB C 13 41.384 0.15 . 1 . . . . 217 LEU CB . 26569 1 906 . 1 1 217 217 LEU N N 15 122.641 0.3 . 1 . . . . 217 LEU N . 26569 1 907 . 1 1 218 218 SER H H 1 9.3 0.007 . 1 . . . . 218 SER HN . 26569 1 908 . 1 1 218 218 SER CA C 13 56.944 0.013 . 1 . . . . 218 SER CA . 26569 1 909 . 1 1 218 218 SER CB C 13 65.047 0.172 . 1 . . . . 218 SER CB . 26569 1 910 . 1 1 218 218 SER N N 15 116.083 0.174 . 1 . . . . 218 SER N . 26569 1 911 . 1 1 219 219 GLU C C 13 177.014 0.3 . 1 . . . . 219 GLU CO . 26569 1 912 . 1 1 220 220 ASN H H 1 8.123 0.002 . 1 . . . . 220 ASN HN . 26569 1 913 . 1 1 220 220 ASN C C 13 175.658 0.3 . 1 . . . . 220 ASN CO . 26569 1 914 . 1 1 220 220 ASN CA C 13 53.069 0.329 . 1 . . . . 220 ASN CA . 26569 1 915 . 1 1 220 220 ASN CB C 13 38.111 0.11 . 1 . . . . 220 ASN CB . 26569 1 916 . 1 1 220 220 ASN N N 15 113.894 0.001 . 1 . . . . 220 ASN N . 26569 1 917 . 1 1 221 221 ASP H H 1 7.277 0.006 . 1 . . . . 221 ASP HN . 26569 1 918 . 1 1 221 221 ASP C C 13 176.028 0.3 . 1 . . . . 221 ASP CO . 26569 1 919 . 1 1 221 221 ASP CA C 13 55.109 0.069 . 1 . . . . 221 ASP CA . 26569 1 920 . 1 1 221 221 ASP CB C 13 41.74 0.041 . 1 . . . . 221 ASP CB . 26569 1 921 . 1 1 221 221 ASP N N 15 120.722 0.3 . 1 . . . . 221 ASP N . 26569 1 922 . 1 1 222 222 GLU H H 1 8.676 0.006 . 1 . . . . 222 GLU HN . 26569 1 923 . 1 1 222 222 GLU C C 13 175.507 0.3 . 1 . . . . 222 GLU CO . 26569 1 924 . 1 1 222 222 GLU CA C 13 56.356 0.137 . 1 . . . . 222 GLU CA . 26569 1 925 . 1 1 222 222 GLU CB C 13 29.673 0.302 . 1 . . . . 222 GLU CB . 26569 1 926 . 1 1 222 222 GLU N N 15 123.88 0.3 . 1 . . . . 222 GLU N . 26569 1 927 . 1 1 223 223 TRP H H 1 8.682 0.004 . 1 . . . . 223 TRP HN . 26569 1 928 . 1 1 223 223 TRP CA C 13 56.712 0.3 . 1 . . . . 223 TRP CA . 26569 1 929 . 1 1 223 223 TRP CB C 13 32.138 0.3 . 1 . . . . 223 TRP CB . 26569 1 930 . 1 1 223 223 TRP N N 15 122.728 0.3 . 1 . . . . 223 TRP N . 26569 1 931 . 1 1 224 224 THR C C 13 175.548 0.3 . 1 . . . . 224 THR CO . 26569 1 932 . 1 1 224 224 THR CA C 13 61.589 0.3 . 1 . . . . 224 THR CA . 26569 1 933 . 1 1 224 224 THR CB C 13 72.656 0.3 . 1 . . . . 224 THR CB . 26569 1 934 . 1 1 225 225 GLN H H 1 8.008 0.009 . 1 . . . . 225 GLN HN . 26569 1 935 . 1 1 225 225 GLN CA C 13 58.739 0.3 . 1 . . . . 225 GLN CA . 26569 1 936 . 1 1 225 225 GLN N N 15 115.133 0.3 . 1 . . . . 225 GLN N . 26569 1 937 . 1 1 226 226 ASP C C 13 176.713 0.3 . 1 . . . . 226 ASP CO . 26569 1 938 . 1 1 226 226 ASP CA C 13 55.096 0.3 . 1 . . . . 226 ASP CA . 26569 1 939 . 1 1 226 226 ASP CB C 13 39.536 0.3 . 1 . . . . 226 ASP CB . 26569 1 940 . 1 1 227 227 ARG H H 1 7.706 0.007 . 1 . . . . 227 ARG HN . 26569 1 941 . 1 1 227 227 ARG C C 13 174.905 0.3 . 1 . . . . 227 ARG CO . 26569 1 942 . 1 1 227 227 ARG CA C 13 54.995 0.013 . 1 . . . . 227 ARG CA . 26569 1 943 . 1 1 227 227 ARG CB C 13 30.545 0.168 . 1 . . . . 227 ARG CB . 26569 1 944 . 1 1 227 227 ARG N N 15 117.135 0.139 . 1 . . . . 227 ARG N . 26569 1 945 . 1 1 228 228 ALA H H 1 8.522 0.005 . 1 . . . . 228 ALA HN . 26569 1 946 . 1 1 228 228 ALA C C 13 177.315 0.3 . 1 . . . . 228 ALA CO . 26569 1 947 . 1 1 228 228 ALA CA C 13 52.256 0.052 . 1 . . . . 228 ALA CA . 26569 1 948 . 1 1 228 228 ALA CB C 13 18.016 0.175 . 1 . . . . 228 ALA CB . 26569 1 949 . 1 1 228 228 ALA N N 15 125.166 0.14 . 1 . . . . 228 ALA N . 26569 1 950 . 1 1 229 229 LYS H H 1 8.364 0.004 . 1 . . . . 229 LYS HN . 26569 1 951 . 1 1 229 229 LYS CA C 13 53.369 0.3 . 1 . . . . 229 LYS CA . 26569 1 952 . 1 1 229 229 LYS CB C 13 32.611 0.171 . 1 . . . . 229 LYS CB . 26569 1 953 . 1 1 229 229 LYS N N 15 124.771 0.14 . 1 . . . . 229 LYS N . 26569 1 954 . 1 1 230 230 PRO C C 13 174.494 0.3 . 1 . . . . 230 PRO CO . 26569 1 955 . 1 1 230 230 PRO CA C 13 61.424 0.3 . 1 . . . . 230 PRO CA . 26569 1 956 . 1 1 230 230 PRO CB C 13 30.085 0.3 . 1 . . . . 230 PRO CB . 26569 1 957 . 1 1 231 231 VAL H H 1 7.626 0.004 . 1 . . . . 231 VAL HN . 26569 1 958 . 1 1 231 231 VAL C C 13 175.505 0.327 . 1 . . . . 231 VAL CO . 26569 1 959 . 1 1 231 231 VAL CA C 13 60.16 0.17 . 1 . . . . 231 VAL CA . 26569 1 960 . 1 1 231 231 VAL CB C 13 32.846 0.142 . 1 . . . . 231 VAL CB . 26569 1 961 . 1 1 231 231 VAL N N 15 116.828 0.138 . 1 . . . . 231 VAL N . 26569 1 962 . 1 1 232 232 THR H H 1 7.559 0.01 . 1 . . . . 232 THR HN . 26569 1 963 . 1 1 232 232 THR C C 13 174.453 0.3 . 1 . . . . 232 THR CO . 26569 1 964 . 1 1 232 232 THR CA C 13 63.506 0.3 . 1 . . . . 232 THR CA . 26569 1 965 . 1 1 232 232 THR CB C 13 69.228 0.15 . 1 . . . . 232 THR CB . 26569 1 966 . 1 1 232 232 THR N N 15 118.242 0.153 . 1 . . . . 232 THR N . 26569 1 967 . 1 1 233 233 GLN H H 1 8.692 0.009 . 1 . . . . 233 GLN HN . 26569 1 968 . 1 1 233 233 GLN C C 13 172.056 0.3 . 1 . . . . 233 GLN CO . 26569 1 969 . 1 1 233 233 GLN CA C 13 54.465 0.194 . 1 . . . . 233 GLN CA . 26569 1 970 . 1 1 233 233 GLN CB C 13 32.115 0.203 . 1 . . . . 233 GLN CB . 26569 1 971 . 1 1 233 233 GLN N N 15 122.123 0.156 . 1 . . . . 233 GLN N . 26569 1 972 . 1 1 234 234 ILE H H 1 8.415 0.006 . 1 . . . . 234 ILE HN . 26569 1 973 . 1 1 234 234 ILE C C 13 175.879 0.077 . 1 . . . . 234 ILE CO . 26569 1 974 . 1 1 234 234 ILE CA C 13 59.862 0.083 . 1 . . . . 234 ILE CA . 26569 1 975 . 1 1 234 234 ILE CB C 13 38.855 0.14 . 1 . . . . 234 ILE CB . 26569 1 976 . 1 1 234 234 ILE N N 15 120.79 0.137 . 1 . . . . 234 ILE N . 26569 1 977 . 1 1 235 235 VAL H H 1 8.787 0.004 . 1 . . . . 235 VAL HN . 26569 1 978 . 1 1 235 235 VAL C C 13 174.44 0.088 . 1 . . . . 235 VAL CO . 26569 1 979 . 1 1 235 235 VAL CA C 13 61.072 0.12 . 1 . . . . 235 VAL CA . 26569 1 980 . 1 1 235 235 VAL CB C 13 33.157 0.342 . 1 . . . . 235 VAL CB . 26569 1 981 . 1 1 235 235 VAL N N 15 129.895 0.134 . 1 . . . . 235 VAL N . 26569 1 982 . 1 1 236 236 SER H H 1 8.571 0.006 . 1 . . . . 236 SER HN . 26569 1 983 . 1 1 236 236 SER C C 13 172.727 0.3 . 1 . . . . 236 SER CO . 26569 1 984 . 1 1 236 236 SER CA C 13 56.584 0.091 . 1 . . . . 236 SER CA . 26569 1 985 . 1 1 236 236 SER CB C 13 66.853 0.184 . 1 . . . . 236 SER CB . 26569 1 986 . 1 1 236 236 SER N N 15 120.403 0.24 . 1 . . . . 236 SER N . 26569 1 987 . 1 1 237 237 ALA H H 1 8.458 0.012 . 1 . . . . 237 ALA HN . 26569 1 988 . 1 1 237 237 ALA C C 13 175.014 0.3 . 1 . . . . 237 ALA CO . 26569 1 989 . 1 1 237 237 ALA CA C 13 51.507 0.054 . 1 . . . . 237 ALA CA . 26569 1 990 . 1 1 237 237 ALA CB C 13 22.18 0.175 . 1 . . . . 237 ALA CB . 26569 1 991 . 1 1 237 237 ALA N N 15 122.565 0.168 . 1 . . . . 237 ALA N . 26569 1 992 . 1 1 238 238 GLU H H 1 8.547 0.004 . 1 . . . . 238 GLU HN . 26569 1 993 . 1 1 238 238 GLU C C 13 174.042 0.3 . 1 . . . . 238 GLU CO . 26569 1 994 . 1 1 238 238 GLU CA C 13 54.1 0.051 . 1 . . . . 238 GLU CA . 26569 1 995 . 1 1 238 238 GLU CB C 13 33.686 0.148 . 1 . . . . 238 GLU CB . 26569 1 996 . 1 1 238 238 GLU N N 15 117.239 0.14 . 1 . . . . 238 GLU N . 26569 1 997 . 1 1 239 239 ALA H H 1 9.13 0.005 . 1 . . . . 239 ALA HN . 26569 1 998 . 1 1 239 239 ALA C C 13 172.152 0.3 . 1 . . . . 239 ALA CO . 26569 1 999 . 1 1 239 239 ALA CA C 13 51.781 0.078 . 1 . . . . 239 ALA CA . 26569 1 1000 . 1 1 239 239 ALA CB C 13 21.997 0.142 . 1 . . . . 239 ALA CB . 26569 1 1001 . 1 1 239 239 ALA N N 15 121.976 0.14 . 1 . . . . 239 ALA N . 26569 1 1002 . 1 1 240 240 TRP H H 1 8.574 0.005 . 1 . . . . 240 TRP HN . 26569 1 1003 . 1 1 240 240 TRP C C 13 175.795 0.3 . 1 . . . . 240 TRP CO . 26569 1 1004 . 1 1 240 240 TRP CA C 13 56.657 0.3 . 1 . . . . 240 TRP CA . 26569 1 1005 . 1 1 240 240 TRP CB C 13 31.604 0.143 . 1 . . . . 240 TRP CB . 26569 1 1006 . 1 1 240 240 TRP N N 15 122.07 0.14 . 1 . . . . 240 TRP N . 26569 1 1007 . 1 1 241 241 GLY H H 1 8.5 0.007 . 1 . . . . 241 GLY HN . 26569 1 1008 . 1 1 241 241 GLY C C 13 172.275 0.3 . 1 . . . . 241 GLY CO . 26569 1 1009 . 1 1 241 241 GLY CA C 13 45.233 0.028 . 1 . . . . 241 GLY CA . 26569 1 1010 . 1 1 241 241 GLY N N 15 105.258 0.3 . 1 . . . . 241 GLY N . 26569 1 1011 . 1 1 242 242 ARG H H 1 5.921 0.007 . 1 . . . . 242 ARG HN . 26569 1 1012 . 1 1 242 242 ARG C C 13 174.658 0.3 . 1 . . . . 242 ARG CO . 26569 1 1013 . 1 1 242 242 ARG CA C 13 54.721 0.052 . 1 . . . . 242 ARG CA . 26569 1 1014 . 1 1 242 242 ARG CB C 13 32.225 0.159 . 1 . . . . 242 ARG CB . 26569 1 1015 . 1 1 242 242 ARG N N 15 116.182 0.148 . 1 . . . . 242 ARG N . 26569 1 1016 . 1 1 243 243 ALA H H 1 8.436 0.007 . 1 . . . . 243 ALA HN . 26569 1 1017 . 1 1 243 243 ALA C C 13 176.439 0.3 . 1 . . . . 243 ALA CO . 26569 1 1018 . 1 1 243 243 ALA CA C 13 51.561 0.3 . 1 . . . . 243 ALA CA . 26569 1 1019 . 1 1 243 243 ALA CB C 13 18.966 0.14 . 1 . . . . 243 ALA CB . 26569 1 1020 . 1 1 243 243 ALA N N 15 126.381 0.137 . 1 . . . . 243 ALA N . 26569 1 1021 . 1 1 244 244 ASP H H 1 7.818 0.003 . 1 . . . . 244 ASP HN . 26569 1 1022 . 1 1 244 244 ASP CA C 13 55.159 0.103 . 1 . . . . 244 ASP CA . 26569 1 1023 . 1 1 244 244 ASP CB C 13 41.925 0.171 . 1 . . . . 244 ASP CB . 26569 1 1024 . 1 1 244 244 ASP N N 15 124.433 0.133 . 1 . . . . 244 ASP N . 26569 1 stop_ save_