data_27682 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27682 _Entry.Title ; Backbone amide and AILV methyl chemical shift assignments for H2-Ld, a mouse class I major histocompatibility molecule heavy chain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-11-05 _Entry.Accession_date 2018-11-05 _Entry.Last_release_date 2018-11-06 _Entry.Original_release_date 2018-11-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Sarah Overall . . . . 27682 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27682 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 765 27682 '15N chemical shifts' 235 27682 '1H chemical shifts' 464 27682 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 . . 2020-02-28 . original BMRB . 27682 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27631 'TAX/HLA-A*02:01/human beta2m' 27682 BMRB 27632 'NRASQ61K/HLA-A*01:01/human beta2m' 27682 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27682 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31796585 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Molecular determinants of chaperone interactions on MHC-I for folding and antigen repertoire selection ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 116 _Citation.Journal_issue 51 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _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 25602 _Citation.Page_last 25613 _Citation.Year 2019 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Andrew McShan A. C. . . 27682 1 2 Christine Devlin C. A. . . 27682 1 3 Sarah Overall S. A. . . 27682 1 4 Jihye Park J. . . . 27682 1 5 Jugmohit Toor J. S. . . 27682 1 6 Danai Moschidi D. . . . 27682 1 7 David Flores-Solis D. . . . 27682 1 8 Hannah Choi H. . . . 27682 1 9 Sarvind Tripathi S. . . . 27682 1 10 Erik Procko E. . . . 27682 1 11 Nikolaos Sgourakis N. G. . . 27682 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27682 _Assembly.ID 1 _Assembly.Name NIH:H-2Ld:hb2m _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 H-2Ld 1 $H-2Ld A . yes native no no . . . 27682 1 2 hb2m 2 $hb2m A . no native no no . . . 27682 1 3 NIH 3 $NIH_peptide A . no native no no . . . 27682 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_H-2Ld _Entity.Sf_category entity _Entity.Sf_framecode H-2Ld _Entity.Entry_ID 27682 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name H-2Ld _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 ; MPHSMRYFETAVSRPGLGEP RYISVGYVDNKEFVRFDSDA ENPRYEPQAPWMEQEGPEYW ERITQIAKGQEQWFRVNLRT LLGYYNQSAGGTHTLQWMYG CDVGSDGRLLRGYEQFAYDG CDYIALNEDLKTWTAADMAA QITRRKWEQAGAAEYYRAYL EGECVEWLHRYLKNGNATLL RTDSPKAHVTHHPRSKGEVT LRCWALGFYPADITLTWQLN GEELTQDMELVETRPAGDGT FQKWASVVVPLGKEQNYTCR VYHEGLPEPLTLRWEPP ; _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 277 _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 1 MET . 27682 1 2 2 PRO . 27682 1 3 3 HIS . 27682 1 4 4 SER . 27682 1 5 5 MET . 27682 1 6 6 ARG . 27682 1 7 7 TYR . 27682 1 8 8 PHE . 27682 1 9 9 GLU . 27682 1 10 10 THR . 27682 1 11 11 ALA . 27682 1 12 12 VAL . 27682 1 13 13 SER . 27682 1 14 14 ARG . 27682 1 15 15 PRO . 27682 1 16 16 GLY . 27682 1 17 17 LEU . 27682 1 18 18 GLY . 27682 1 19 19 GLU . 27682 1 20 20 PRO . 27682 1 21 21 ARG . 27682 1 22 22 TYR . 27682 1 23 23 ILE . 27682 1 24 24 SER . 27682 1 25 25 VAL . 27682 1 26 26 GLY . 27682 1 27 27 TYR . 27682 1 28 28 VAL . 27682 1 29 29 ASP . 27682 1 30 30 ASN . 27682 1 31 31 LYS . 27682 1 32 32 GLU . 27682 1 33 33 PHE . 27682 1 34 34 VAL . 27682 1 35 35 ARG . 27682 1 36 36 PHE . 27682 1 37 37 ASP . 27682 1 38 38 SER . 27682 1 39 39 ASP . 27682 1 40 40 ALA . 27682 1 41 41 GLU . 27682 1 42 42 ASN . 27682 1 43 43 PRO . 27682 1 44 44 ARG . 27682 1 45 45 TYR . 27682 1 46 46 GLU . 27682 1 47 47 PRO . 27682 1 48 48 GLN . 27682 1 49 49 ALA . 27682 1 50 50 PRO . 27682 1 51 51 TRP . 27682 1 52 52 MET . 27682 1 53 53 GLU . 27682 1 54 54 GLN . 27682 1 55 55 GLU . 27682 1 56 56 GLY . 27682 1 57 57 PRO . 27682 1 58 58 GLU . 27682 1 59 59 TYR . 27682 1 60 60 TRP . 27682 1 61 61 GLU . 27682 1 62 62 ARG . 27682 1 63 63 ILE . 27682 1 64 64 THR . 27682 1 65 65 GLN . 27682 1 66 66 ILE . 27682 1 67 67 ALA . 27682 1 68 68 LYS . 27682 1 69 69 GLY . 27682 1 70 70 GLN . 27682 1 71 71 GLU . 27682 1 72 72 GLN . 27682 1 73 73 TRP . 27682 1 74 74 PHE . 27682 1 75 75 ARG . 27682 1 76 76 VAL . 27682 1 77 77 ASN . 27682 1 78 78 LEU . 27682 1 79 79 ARG . 27682 1 80 80 THR . 27682 1 81 81 LEU . 27682 1 82 82 LEU . 27682 1 83 83 GLY . 27682 1 84 84 TYR . 27682 1 85 85 TYR . 27682 1 86 86 ASN . 27682 1 87 87 GLN . 27682 1 88 88 SER . 27682 1 89 89 ALA . 27682 1 90 90 GLY . 27682 1 91 91 GLY . 27682 1 92 92 THR . 27682 1 93 93 HIS . 27682 1 94 94 THR . 27682 1 95 95 LEU . 27682 1 96 96 GLN . 27682 1 97 97 TRP . 27682 1 98 98 MET . 27682 1 99 99 TYR . 27682 1 100 100 GLY . 27682 1 101 101 CYS . 27682 1 102 102 ASP . 27682 1 103 103 VAL . 27682 1 104 104 GLY . 27682 1 105 105 SER . 27682 1 106 106 ASP . 27682 1 107 107 GLY . 27682 1 108 108 ARG . 27682 1 109 109 LEU . 27682 1 110 110 LEU . 27682 1 111 111 ARG . 27682 1 112 112 GLY . 27682 1 113 113 TYR . 27682 1 114 114 GLU . 27682 1 115 115 GLN . 27682 1 116 116 PHE . 27682 1 117 117 ALA . 27682 1 118 118 TYR . 27682 1 119 119 ASP . 27682 1 120 120 GLY . 27682 1 121 121 CYS . 27682 1 122 122 ASP . 27682 1 123 123 TYR . 27682 1 124 124 ILE . 27682 1 125 125 ALA . 27682 1 126 126 LEU . 27682 1 127 127 ASN . 27682 1 128 128 GLU . 27682 1 129 129 ASP . 27682 1 130 130 LEU . 27682 1 131 131 LYS . 27682 1 132 132 THR . 27682 1 133 133 TRP . 27682 1 134 134 THR . 27682 1 135 135 ALA . 27682 1 136 136 ALA . 27682 1 137 137 ASP . 27682 1 138 138 MET . 27682 1 139 139 ALA . 27682 1 140 140 ALA . 27682 1 141 141 GLN . 27682 1 142 142 ILE . 27682 1 143 143 THR . 27682 1 144 144 ARG . 27682 1 145 145 ARG . 27682 1 146 146 LYS . 27682 1 147 147 TRP . 27682 1 148 148 GLU . 27682 1 149 149 GLN . 27682 1 150 150 ALA . 27682 1 151 151 GLY . 27682 1 152 152 ALA . 27682 1 153 153 ALA . 27682 1 154 154 GLU . 27682 1 155 155 TYR . 27682 1 156 156 TYR . 27682 1 157 157 ARG . 27682 1 158 158 ALA . 27682 1 159 159 TYR . 27682 1 160 160 LEU . 27682 1 161 161 GLU . 27682 1 162 162 GLY . 27682 1 163 163 GLU . 27682 1 164 164 CYS . 27682 1 165 165 VAL . 27682 1 166 166 GLU . 27682 1 167 167 TRP . 27682 1 168 168 LEU . 27682 1 169 169 HIS . 27682 1 170 170 ARG . 27682 1 171 171 TYR . 27682 1 172 172 LEU . 27682 1 173 173 LYS . 27682 1 174 174 ASN . 27682 1 175 175 GLY . 27682 1 176 176 ASN . 27682 1 177 177 ALA . 27682 1 178 178 THR . 27682 1 179 179 LEU . 27682 1 180 180 LEU . 27682 1 181 181 ARG . 27682 1 182 182 THR . 27682 1 183 183 ASP . 27682 1 184 184 SER . 27682 1 185 185 PRO . 27682 1 186 186 LYS . 27682 1 187 187 ALA . 27682 1 188 188 HIS . 27682 1 189 189 VAL . 27682 1 190 190 THR . 27682 1 191 191 HIS . 27682 1 192 192 HIS . 27682 1 193 193 PRO . 27682 1 194 194 ARG . 27682 1 195 195 SER . 27682 1 196 196 LYS . 27682 1 197 197 GLY . 27682 1 198 198 GLU . 27682 1 199 199 VAL . 27682 1 200 200 THR . 27682 1 201 201 LEU . 27682 1 202 202 ARG . 27682 1 203 203 CYS . 27682 1 204 204 TRP . 27682 1 205 205 ALA . 27682 1 206 206 LEU . 27682 1 207 207 GLY . 27682 1 208 208 PHE . 27682 1 209 209 TYR . 27682 1 210 210 PRO . 27682 1 211 211 ALA . 27682 1 212 212 ASP . 27682 1 213 213 ILE . 27682 1 214 214 THR . 27682 1 215 215 LEU . 27682 1 216 216 THR . 27682 1 217 217 TRP . 27682 1 218 218 GLN . 27682 1 219 219 LEU . 27682 1 220 220 ASN . 27682 1 221 221 GLY . 27682 1 222 222 GLU . 27682 1 223 223 GLU . 27682 1 224 224 LEU . 27682 1 225 225 THR . 27682 1 226 226 GLN . 27682 1 227 227 ASP . 27682 1 228 228 MET . 27682 1 229 229 GLU . 27682 1 230 230 LEU . 27682 1 231 231 VAL . 27682 1 232 232 GLU . 27682 1 233 233 THR . 27682 1 234 234 ARG . 27682 1 235 235 PRO . 27682 1 236 236 ALA . 27682 1 237 237 GLY . 27682 1 238 238 ASP . 27682 1 239 239 GLY . 27682 1 240 240 THR . 27682 1 241 241 PHE . 27682 1 242 242 GLN . 27682 1 243 243 LYS . 27682 1 244 244 TRP . 27682 1 245 245 ALA . 27682 1 246 246 SER . 27682 1 247 247 VAL . 27682 1 248 248 VAL . 27682 1 249 249 VAL . 27682 1 250 250 PRO . 27682 1 251 251 LEU . 27682 1 252 252 GLY . 27682 1 253 253 LYS . 27682 1 254 254 GLU . 27682 1 255 255 GLN . 27682 1 256 256 ASN . 27682 1 257 257 TYR . 27682 1 258 258 THR . 27682 1 259 259 CYS . 27682 1 260 260 ARG . 27682 1 261 261 VAL . 27682 1 262 262 TYR . 27682 1 263 263 HIS . 27682 1 264 264 GLU . 27682 1 265 265 GLY . 27682 1 266 266 LEU . 27682 1 267 267 PRO . 27682 1 268 268 GLU . 27682 1 269 269 PRO . 27682 1 270 270 LEU . 27682 1 271 271 THR . 27682 1 272 272 LEU . 27682 1 273 273 ARG . 27682 1 274 274 TRP . 27682 1 275 275 GLU . 27682 1 276 276 PRO . 27682 1 277 277 PRO . 27682 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 . MET 1 1 27682 1 . PRO 2 2 27682 1 . HIS 3 3 27682 1 . SER 4 4 27682 1 . MET 5 5 27682 1 . ARG 6 6 27682 1 . TYR 7 7 27682 1 . PHE 8 8 27682 1 . GLU 9 9 27682 1 . THR 10 10 27682 1 . ALA 11 11 27682 1 . VAL 12 12 27682 1 . SER 13 13 27682 1 . ARG 14 14 27682 1 . PRO 15 15 27682 1 . GLY 16 16 27682 1 . LEU 17 17 27682 1 . GLY 18 18 27682 1 . GLU 19 19 27682 1 . PRO 20 20 27682 1 . ARG 21 21 27682 1 . TYR 22 22 27682 1 . ILE 23 23 27682 1 . SER 24 24 27682 1 . VAL 25 25 27682 1 . GLY 26 26 27682 1 . TYR 27 27 27682 1 . VAL 28 28 27682 1 . ASP 29 29 27682 1 . ASN 30 30 27682 1 . LYS 31 31 27682 1 . GLU 32 32 27682 1 . PHE 33 33 27682 1 . VAL 34 34 27682 1 . ARG 35 35 27682 1 . PHE 36 36 27682 1 . ASP 37 37 27682 1 . SER 38 38 27682 1 . ASP 39 39 27682 1 . ALA 40 40 27682 1 . GLU 41 41 27682 1 . ASN 42 42 27682 1 . PRO 43 43 27682 1 . ARG 44 44 27682 1 . TYR 45 45 27682 1 . GLU 46 46 27682 1 . PRO 47 47 27682 1 . GLN 48 48 27682 1 . ALA 49 49 27682 1 . PRO 50 50 27682 1 . TRP 51 51 27682 1 . MET 52 52 27682 1 . GLU 53 53 27682 1 . GLN 54 54 27682 1 . GLU 55 55 27682 1 . GLY 56 56 27682 1 . PRO 57 57 27682 1 . GLU 58 58 27682 1 . TYR 59 59 27682 1 . TRP 60 60 27682 1 . GLU 61 61 27682 1 . ARG 62 62 27682 1 . ILE 63 63 27682 1 . THR 64 64 27682 1 . GLN 65 65 27682 1 . ILE 66 66 27682 1 . ALA 67 67 27682 1 . LYS 68 68 27682 1 . GLY 69 69 27682 1 . GLN 70 70 27682 1 . GLU 71 71 27682 1 . GLN 72 72 27682 1 . TRP 73 73 27682 1 . PHE 74 74 27682 1 . ARG 75 75 27682 1 . VAL 76 76 27682 1 . ASN 77 77 27682 1 . LEU 78 78 27682 1 . ARG 79 79 27682 1 . THR 80 80 27682 1 . LEU 81 81 27682 1 . LEU 82 82 27682 1 . GLY 83 83 27682 1 . TYR 84 84 27682 1 . TYR 85 85 27682 1 . ASN 86 86 27682 1 . GLN 87 87 27682 1 . SER 88 88 27682 1 . ALA 89 89 27682 1 . GLY 90 90 27682 1 . GLY 91 91 27682 1 . THR 92 92 27682 1 . HIS 93 93 27682 1 . THR 94 94 27682 1 . LEU 95 95 27682 1 . GLN 96 96 27682 1 . TRP 97 97 27682 1 . MET 98 98 27682 1 . TYR 99 99 27682 1 . GLY 100 100 27682 1 . CYS 101 101 27682 1 . ASP 102 102 27682 1 . VAL 103 103 27682 1 . GLY 104 104 27682 1 . SER 105 105 27682 1 . ASP 106 106 27682 1 . GLY 107 107 27682 1 . ARG 108 108 27682 1 . LEU 109 109 27682 1 . LEU 110 110 27682 1 . ARG 111 111 27682 1 . GLY 112 112 27682 1 . TYR 113 113 27682 1 . GLU 114 114 27682 1 . GLN 115 115 27682 1 . PHE 116 116 27682 1 . ALA 117 117 27682 1 . TYR 118 118 27682 1 . ASP 119 119 27682 1 . GLY 120 120 27682 1 . CYS 121 121 27682 1 . ASP 122 122 27682 1 . TYR 123 123 27682 1 . ILE 124 124 27682 1 . ALA 125 125 27682 1 . LEU 126 126 27682 1 . ASN 127 127 27682 1 . GLU 128 128 27682 1 . ASP 129 129 27682 1 . LEU 130 130 27682 1 . LYS 131 131 27682 1 . THR 132 132 27682 1 . TRP 133 133 27682 1 . THR 134 134 27682 1 . ALA 135 135 27682 1 . ALA 136 136 27682 1 . ASP 137 137 27682 1 . MET 138 138 27682 1 . ALA 139 139 27682 1 . ALA 140 140 27682 1 . GLN 141 141 27682 1 . ILE 142 142 27682 1 . THR 143 143 27682 1 . ARG 144 144 27682 1 . ARG 145 145 27682 1 . LYS 146 146 27682 1 . TRP 147 147 27682 1 . GLU 148 148 27682 1 . GLN 149 149 27682 1 . ALA 150 150 27682 1 . GLY 151 151 27682 1 . ALA 152 152 27682 1 . ALA 153 153 27682 1 . GLU 154 154 27682 1 . TYR 155 155 27682 1 . TYR 156 156 27682 1 . ARG 157 157 27682 1 . ALA 158 158 27682 1 . TYR 159 159 27682 1 . LEU 160 160 27682 1 . GLU 161 161 27682 1 . GLY 162 162 27682 1 . GLU 163 163 27682 1 . CYS 164 164 27682 1 . VAL 165 165 27682 1 . GLU 166 166 27682 1 . TRP 167 167 27682 1 . LEU 168 168 27682 1 . HIS 169 169 27682 1 . ARG 170 170 27682 1 . TYR 171 171 27682 1 . LEU 172 172 27682 1 . LYS 173 173 27682 1 . ASN 174 174 27682 1 . GLY 175 175 27682 1 . ASN 176 176 27682 1 . ALA 177 177 27682 1 . THR 178 178 27682 1 . LEU 179 179 27682 1 . LEU 180 180 27682 1 . ARG 181 181 27682 1 . THR 182 182 27682 1 . ASP 183 183 27682 1 . SER 184 184 27682 1 . PRO 185 185 27682 1 . LYS 186 186 27682 1 . ALA 187 187 27682 1 . HIS 188 188 27682 1 . VAL 189 189 27682 1 . THR 190 190 27682 1 . HIS 191 191 27682 1 . HIS 192 192 27682 1 . PRO 193 193 27682 1 . ARG 194 194 27682 1 . SER 195 195 27682 1 . LYS 196 196 27682 1 . GLY 197 197 27682 1 . GLU 198 198 27682 1 . VAL 199 199 27682 1 . THR 200 200 27682 1 . LEU 201 201 27682 1 . ARG 202 202 27682 1 . CYS 203 203 27682 1 . TRP 204 204 27682 1 . ALA 205 205 27682 1 . LEU 206 206 27682 1 . GLY 207 207 27682 1 . PHE 208 208 27682 1 . TYR 209 209 27682 1 . PRO 210 210 27682 1 . ALA 211 211 27682 1 . ASP 212 212 27682 1 . ILE 213 213 27682 1 . THR 214 214 27682 1 . LEU 215 215 27682 1 . THR 216 216 27682 1 . TRP 217 217 27682 1 . GLN 218 218 27682 1 . LEU 219 219 27682 1 . ASN 220 220 27682 1 . GLY 221 221 27682 1 . GLU 222 222 27682 1 . GLU 223 223 27682 1 . LEU 224 224 27682 1 . THR 225 225 27682 1 . GLN 226 226 27682 1 . ASP 227 227 27682 1 . MET 228 228 27682 1 . GLU 229 229 27682 1 . LEU 230 230 27682 1 . VAL 231 231 27682 1 . GLU 232 232 27682 1 . THR 233 233 27682 1 . ARG 234 234 27682 1 . PRO 235 235 27682 1 . ALA 236 236 27682 1 . GLY 237 237 27682 1 . ASP 238 238 27682 1 . GLY 239 239 27682 1 . THR 240 240 27682 1 . PHE 241 241 27682 1 . GLN 242 242 27682 1 . LYS 243 243 27682 1 . TRP 244 244 27682 1 . ALA 245 245 27682 1 . SER 246 246 27682 1 . VAL 247 247 27682 1 . VAL 248 248 27682 1 . VAL 249 249 27682 1 . PRO 250 250 27682 1 . LEU 251 251 27682 1 . GLY 252 252 27682 1 . LYS 253 253 27682 1 . GLU 254 254 27682 1 . GLN 255 255 27682 1 . ASN 256 256 27682 1 . TYR 257 257 27682 1 . THR 258 258 27682 1 . CYS 259 259 27682 1 . ARG 260 260 27682 1 . VAL 261 261 27682 1 . TYR 262 262 27682 1 . HIS 263 263 27682 1 . GLU 264 264 27682 1 . GLY 265 265 27682 1 . LEU 266 266 27682 1 . PRO 267 267 27682 1 . GLU 268 268 27682 1 . PRO 269 269 27682 1 . LEU 270 270 27682 1 . THR 271 271 27682 1 . LEU 272 272 27682 1 . ARG 273 273 27682 1 . TRP 274 274 27682 1 . GLU 275 275 27682 1 . PRO 276 276 27682 1 . PRO 277 277 27682 1 stop_ save_ save_hb2m _Entity.Sf_category entity _Entity.Sf_framecode hb2m _Entity.Entry_ID 27682 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name hb2m _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 ; IQRTPKIQVYSRHPAENGKS NFLNCYVSGFHPSDIEVDLL KNGERIEKVEHSDLSFSKDW SFYLLYYTEFTPTEKDEYAC RVNHVTLSQPKIVKWDRDM ; _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 99 _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 1 ILE . 27682 2 2 2 GLN . 27682 2 3 3 ARG . 27682 2 4 4 THR . 27682 2 5 5 PRO . 27682 2 6 6 LYS . 27682 2 7 7 ILE . 27682 2 8 8 GLN . 27682 2 9 9 VAL . 27682 2 10 10 TYR . 27682 2 11 11 SER . 27682 2 12 12 ARG . 27682 2 13 13 HIS . 27682 2 14 14 PRO . 27682 2 15 15 ALA . 27682 2 16 16 GLU . 27682 2 17 17 ASN . 27682 2 18 18 GLY . 27682 2 19 19 LYS . 27682 2 20 20 SER . 27682 2 21 21 ASN . 27682 2 22 22 PHE . 27682 2 23 23 LEU . 27682 2 24 24 ASN . 27682 2 25 25 CYS . 27682 2 26 26 TYR . 27682 2 27 27 VAL . 27682 2 28 28 SER . 27682 2 29 29 GLY . 27682 2 30 30 PHE . 27682 2 31 31 HIS . 27682 2 32 32 PRO . 27682 2 33 33 SER . 27682 2 34 34 ASP . 27682 2 35 35 ILE . 27682 2 36 36 GLU . 27682 2 37 37 VAL . 27682 2 38 38 ASP . 27682 2 39 39 LEU . 27682 2 40 40 LEU . 27682 2 41 41 LYS . 27682 2 42 42 ASN . 27682 2 43 43 GLY . 27682 2 44 44 GLU . 27682 2 45 45 ARG . 27682 2 46 46 ILE . 27682 2 47 47 GLU . 27682 2 48 48 LYS . 27682 2 49 49 VAL . 27682 2 50 50 GLU . 27682 2 51 51 HIS . 27682 2 52 52 SER . 27682 2 53 53 ASP . 27682 2 54 54 LEU . 27682 2 55 55 SER . 27682 2 56 56 PHE . 27682 2 57 57 SER . 27682 2 58 58 LYS . 27682 2 59 59 ASP . 27682 2 60 60 TRP . 27682 2 61 61 SER . 27682 2 62 62 PHE . 27682 2 63 63 TYR . 27682 2 64 64 LEU . 27682 2 65 65 LEU . 27682 2 66 66 TYR . 27682 2 67 67 TYR . 27682 2 68 68 THR . 27682 2 69 69 GLU . 27682 2 70 70 PHE . 27682 2 71 71 THR . 27682 2 72 72 PRO . 27682 2 73 73 THR . 27682 2 74 74 GLU . 27682 2 75 75 LYS . 27682 2 76 76 ASP . 27682 2 77 77 GLU . 27682 2 78 78 TYR . 27682 2 79 79 ALA . 27682 2 80 80 CYS . 27682 2 81 81 ARG . 27682 2 82 82 VAL . 27682 2 83 83 ASN . 27682 2 84 84 HIS . 27682 2 85 85 VAL . 27682 2 86 86 THR . 27682 2 87 87 LEU . 27682 2 88 88 SER . 27682 2 89 89 GLN . 27682 2 90 90 PRO . 27682 2 91 91 LYS . 27682 2 92 92 ILE . 27682 2 93 93 VAL . 27682 2 94 94 LYS . 27682 2 95 95 TRP . 27682 2 96 96 ASP . 27682 2 97 97 ARG . 27682 2 98 98 ASP . 27682 2 99 99 MET . 27682 2 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 . ILE 1 1 27682 2 . GLN 2 2 27682 2 . ARG 3 3 27682 2 . THR 4 4 27682 2 . PRO 5 5 27682 2 . LYS 6 6 27682 2 . ILE 7 7 27682 2 . GLN 8 8 27682 2 . VAL 9 9 27682 2 . TYR 10 10 27682 2 . SER 11 11 27682 2 . ARG 12 12 27682 2 . HIS 13 13 27682 2 . PRO 14 14 27682 2 . ALA 15 15 27682 2 . GLU 16 16 27682 2 . ASN 17 17 27682 2 . GLY 18 18 27682 2 . LYS 19 19 27682 2 . SER 20 20 27682 2 . ASN 21 21 27682 2 . PHE 22 22 27682 2 . LEU 23 23 27682 2 . ASN 24 24 27682 2 . CYS 25 25 27682 2 . TYR 26 26 27682 2 . VAL 27 27 27682 2 . SER 28 28 27682 2 . GLY 29 29 27682 2 . PHE 30 30 27682 2 . HIS 31 31 27682 2 . PRO 32 32 27682 2 . SER 33 33 27682 2 . ASP 34 34 27682 2 . ILE 35 35 27682 2 . GLU 36 36 27682 2 . VAL 37 37 27682 2 . ASP 38 38 27682 2 . LEU 39 39 27682 2 . LEU 40 40 27682 2 . LYS 41 41 27682 2 . ASN 42 42 27682 2 . GLY 43 43 27682 2 . GLU 44 44 27682 2 . ARG 45 45 27682 2 . ILE 46 46 27682 2 . GLU 47 47 27682 2 . LYS 48 48 27682 2 . VAL 49 49 27682 2 . GLU 50 50 27682 2 . HIS 51 51 27682 2 . SER 52 52 27682 2 . ASP 53 53 27682 2 . LEU 54 54 27682 2 . SER 55 55 27682 2 . PHE 56 56 27682 2 . SER 57 57 27682 2 . LYS 58 58 27682 2 . ASP 59 59 27682 2 . TRP 60 60 27682 2 . SER 61 61 27682 2 . PHE 62 62 27682 2 . TYR 63 63 27682 2 . LEU 64 64 27682 2 . LEU 65 65 27682 2 . TYR 66 66 27682 2 . TYR 67 67 27682 2 . THR 68 68 27682 2 . GLU 69 69 27682 2 . PHE 70 70 27682 2 . THR 71 71 27682 2 . PRO 72 72 27682 2 . THR 73 73 27682 2 . GLU 74 74 27682 2 . LYS 75 75 27682 2 . ASP 76 76 27682 2 . GLU 77 77 27682 2 . TYR 78 78 27682 2 . ALA 79 79 27682 2 . CYS 80 80 27682 2 . ARG 81 81 27682 2 . VAL 82 82 27682 2 . ASN 83 83 27682 2 . HIS 84 84 27682 2 . VAL 85 85 27682 2 . THR 86 86 27682 2 . LEU 87 87 27682 2 . SER 88 88 27682 2 . GLN 89 89 27682 2 . PRO 90 90 27682 2 . LYS 91 91 27682 2 . ILE 92 92 27682 2 . VAL 93 93 27682 2 . LYS 94 94 27682 2 . TRP 95 95 27682 2 . ASP 96 96 27682 2 . ARG 97 97 27682 2 . ASP 98 98 27682 2 . MET 99 99 27682 2 stop_ save_ save_NIH_peptide _Entity.Sf_category entity _Entity.Sf_framecode NIH_peptide _Entity.Entry_ID 27682 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name NIH_peptide _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 ; YPNVNIHNF ; _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 9 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 1 TYR . 27682 3 2 2 PRO . 27682 3 3 3 ASN . 27682 3 4 4 VAL . 27682 3 5 5 ASN . 27682 3 6 6 ILE . 27682 3 7 7 HIS . 27682 3 8 8 ASN . 27682 3 9 9 PHE . 27682 3 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 . TYR 1 1 27682 3 . PRO 2 2 27682 3 . ASN 3 3 27682 3 . VAL 4 4 27682 3 . ASN 5 5 27682 3 . ILE 6 6 27682 3 . HIS 7 7 27682 3 . ASN 8 8 27682 3 . PHE 9 9 27682 3 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 27682 _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 $H-2Ld . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 27682 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 27682 _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 $H-2Ld . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET . . . 27682 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_CND_H-2Ld _Sample.Sf_category sample _Sample.Sf_framecode sample_CND_H-2Ld _Sample.Entry_ID 27682 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 H-2Ld '[U-13C; U-15N; U-2H]' . . 1 $H-2Ld . . 0.4 . . mM . . . . 27682 1 stop_ save_ save_sample_AILV_H_2Ld _Sample.Sf_category sample _Sample.Sf_framecode sample_AILV_H_2Ld _Sample.Entry_ID 27682 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 H-2Ld 'Ala 13C ; Ile 13C 1; Leu 13C 1/13C 2; Val 13C 1/13C 2) U-[15N, 2H' . . 1 $H-2Ld . . 0.6 . . mM . . . . 27682 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_CND_H-2Ld _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_CND_H-2Ld _Sample_condition_list.Entry_ID 27682 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 27682 1 pH 6.4 . pH 27682 1 pressure 1 . atm 27682 1 temperature 298 . K 27682 1 stop_ save_ save_sample_conditions_AILV_H_2Ld _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_AILV_H_2Ld _Sample_condition_list.Entry_ID 27682 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 27682 2 pH 7.2 . pH 27682 2 pressure 1 . atm 27682 2 temperature 298 . K 27682 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27682 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27682 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27682 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 27682 _Software.ID 2 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27682 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27682 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27682 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27682 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27682 3 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 27682 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27682 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27682 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 27682 1 2 spectrometer_2 Bruker Avance . 800 . . . 27682 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 27682 _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 '3D HNCO' no . . . . . . . . . . 1 $sample_CND_H-2Ld isotropic . . 1 $sample_conditions_CND_H-2Ld . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27682 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_CND_H-2Ld isotropic . . 1 $sample_conditions_CND_H-2Ld . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27682 1 3 '3D HNCB' no . . . . . . . . . . 1 $sample_CND_H-2Ld isotropic . . 1 $sample_conditions_CND_H-2Ld . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27682 1 4 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_AILV_H_2Ld isotropic . . 2 $sample_conditions_AILV_H_2Ld . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27682 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_AILV_H_2Ld isotropic . . 2 $sample_conditions_AILV_H_2Ld . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27682 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 27682 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27682 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27682 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27682 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 27682 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_CND_H-2Ld _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 27682 1 2 '3D HNCA' . . . 27682 1 3 '3D HNCB' . . . 27682 1 4 '3D 1H-13C NOESY' . . . 27682 1 5 '3D 1H-15N NOESY' . . . 27682 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 HIS H H 1 8.367 . . . . . . . . 3 H HN . 27682 1 2 . 1 . 1 3 3 HIS C C 13 173.876 . . . . . . . . 3 H C . 27682 1 3 . 1 . 1 3 3 HIS CA C 13 55.311 . . . . . . . . 3 H CA . 27682 1 4 . 1 . 1 3 3 HIS CB C 13 32.520 . . . . . . . . 3 H CB . 27682 1 5 . 1 . 1 3 3 HIS N N 15 117.020 . . . . . . . . 3 H N . 27682 1 6 . 1 . 1 4 4 SER H H 1 9.550 . . . . . . . . 4 S HN . 27682 1 7 . 1 . 1 4 4 SER C C 13 172.824 . . . . . . . . 4 S C . 27682 1 8 . 1 . 1 4 4 SER CA C 13 56.825 . . . . . . . . 4 S CA . 27682 1 9 . 1 . 1 4 4 SER CB C 13 67.365 . . . . . . . . 4 S CB . 27682 1 10 . 1 . 1 4 4 SER N N 15 115.561 . . . . . . . . 4 S N . 27682 1 11 . 1 . 1 5 5 MET H H 1 9.007 . . . . . . . . 5 M HN . 27682 1 12 . 1 . 1 5 5 MET C C 13 175.958 . . . . . . . . 5 M C . 27682 1 13 . 1 . 1 5 5 MET CA C 13 54.683 . . . . . . . . 5 M CA . 27682 1 14 . 1 . 1 5 5 MET CB C 13 37.920 . . . . . . . . 5 M CB . 27682 1 15 . 1 . 1 5 5 MET N N 15 122.403 . . . . . . . . 5 M N . 27682 1 16 . 1 . 1 6 6 ARG H H 1 9.135 . . . . . . . . 6 R HN . 27682 1 17 . 1 . 1 6 6 ARG C C 13 174.163 . . . . . . . . 6 R C . 27682 1 18 . 1 . 1 6 6 ARG CA C 13 53.155 . . . . . . . . 6 R CA . 27682 1 19 . 1 . 1 6 6 ARG CB C 13 36.109 . . . . . . . . 6 R CB . 27682 1 20 . 1 . 1 6 6 ARG N N 15 127.821 . . . . . . . . 6 R N . 27682 1 21 . 1 . 1 7 7 TYR H H 1 8.616 . . . . . . . . 7 Y HN . 27682 1 22 . 1 . 1 7 7 TYR C C 13 173.685 . . . . . . . . 7 Y C . 27682 1 23 . 1 . 1 7 7 TYR CA C 13 58.124 . . . . . . . . 7 Y CA . 27682 1 24 . 1 . 1 7 7 TYR CB C 13 39.950 . . . . . . . . 7 Y CB . 27682 1 25 . 1 . 1 7 7 TYR N N 15 121.918 . . . . . . . . 7 Y N . 27682 1 26 . 1 . 1 8 8 PHE H H 1 9.368 . . . . . . . . 8 F HN . 27682 1 27 . 1 . 1 8 8 PHE C C 13 175.847 . . . . . . . . 8 F C . 27682 1 28 . 1 . 1 8 8 PHE CA C 13 56.298 . . . . . . . . 8 F CA . 27682 1 29 . 1 . 1 8 8 PHE CB C 13 39.507 . . . . . . . . 8 F CB . 27682 1 30 . 1 . 1 8 8 PHE N N 15 123.009 . . . . . . . . 8 F N . 27682 1 31 . 1 . 1 9 9 GLU H H 1 10.111 . . . . . . . . 9 E HN . 27682 1 32 . 1 . 1 9 9 GLU C C 13 175.918 . . . . . . . . 9 E C . 27682 1 33 . 1 . 1 9 9 GLU CA C 13 55.471 . . . . . . . . 9 E CA . 27682 1 34 . 1 . 1 9 9 GLU CB C 13 33.562 . . . . . . . . 9 E CB . 27682 1 35 . 1 . 1 9 9 GLU N N 15 127.457 . . . . . . . . 9 E N . 27682 1 36 . 1 . 1 10 10 THR H H 1 9.310 . . . . . . . . 10 T HN . 27682 1 37 . 1 . 1 10 10 THR C C 13 172.565 . . . . . . . . 10 T C . 27682 1 38 . 1 . 1 10 10 THR CA C 13 62.031 . . . . . . . . 10 T CA . 27682 1 39 . 1 . 1 10 10 THR CB C 13 72.098 . . . . . . . . 10 T CB . 27682 1 40 . 1 . 1 10 10 THR N N 15 119.949 . . . . . . . . 10 T N . 27682 1 41 . 1 . 1 11 11 ALA H H 1 9.210 . . . . . . . . 11 A HN . 27682 1 42 . 1 . 1 11 11 ALA C C 13 175.851 . . . . . . . . 11 A C . 27682 1 43 . 1 . 1 11 11 ALA CA C 13 50.645 . . . . . . . . 11 A CA . 27682 1 44 . 1 . 1 11 11 ALA CB C 13 23.835 . . . . . . . . 11 A CB . 27682 1 45 . 1 . 1 11 11 ALA N N 15 126.275 . . . . . . . . 11 A N . 27682 1 46 . 1 . 1 12 12 VAL H H 1 8.808 . . . . . . . . 12 V HN . 27682 1 47 . 1 . 1 12 12 VAL HG11 H 1 0.861 . . . . . . . . 12 V QG1 . 27682 1 48 . 1 . 1 12 12 VAL HG12 H 1 0.861 . . . . . . . . 12 V QG1 . 27682 1 49 . 1 . 1 12 12 VAL HG13 H 1 0.861 . . . . . . . . 12 V QG1 . 27682 1 50 . 1 . 1 12 12 VAL HG21 H 1 0.915 . . . . . . . . 12 V QG2 . 27682 1 51 . 1 . 1 12 12 VAL HG22 H 1 0.915 . . . . . . . . 12 V QG2 . 27682 1 52 . 1 . 1 12 12 VAL HG23 H 1 0.915 . . . . . . . . 12 V QG2 . 27682 1 53 . 1 . 1 12 12 VAL C C 13 175.390 . . . . . . . . 12 V C . 27682 1 54 . 1 . 1 12 12 VAL CA C 13 58.181 . . . . . . . . 12 V CA . 27682 1 55 . 1 . 1 12 12 VAL CB C 13 34.424 . . . . . . . . 12 V CB . 27682 1 56 . 1 . 1 12 12 VAL CG1 C 13 20.542 . . . . . . . . 12 V CG1 . 27682 1 57 . 1 . 1 12 12 VAL CG2 C 13 20.926 . . . . . . . . 12 V CG2 . 27682 1 58 . 1 . 1 12 12 VAL N N 15 120.919 . . . . . . . . 12 V N . 27682 1 59 . 1 . 1 13 13 SER H H 1 9.404 . . . . . . . . 13 S HN . 27682 1 60 . 1 . 1 13 13 SER C C 13 173.076 . . . . . . . . 13 S C . 27682 1 61 . 1 . 1 13 13 SER CA C 13 57.118 . . . . . . . . 13 S CA . 27682 1 62 . 1 . 1 13 13 SER CB C 13 64.665 . . . . . . . . 13 S CB . 27682 1 63 . 1 . 1 13 13 SER N N 15 123.820 . . . . . . . . 13 S N . 27682 1 64 . 1 . 1 14 14 ARG H H 1 9.028 . . . . . . . . 14 R HN . 27682 1 65 . 1 . 1 14 14 ARG CB C 13 30.007 . . . . . . . . 14 R CB . 27682 1 66 . 1 . 1 14 14 ARG N N 15 120.483 . . . . . . . . 14 R N . 27682 1 67 . 1 . 1 15 15 PRO C C 13 177.956 . . . . . . . . 15 P C . 27682 1 68 . 1 . 1 16 16 GLY H H 1 8.617 . . . . . . . . 16 G HN . 27682 1 69 . 1 . 1 16 16 GLY C C 13 174.183 . . . . . . . . 16 G C . 27682 1 70 . 1 . 1 16 16 GLY CA C 13 45.137 . . . . . . . . 16 G CA . 27682 1 71 . 1 . 1 16 16 GLY N N 15 112.272 . . . . . . . . 16 G N . 27682 1 72 . 1 . 1 17 17 LEU H H 1 8.065 . . . . . . . . 17 L HN . 27682 1 73 . 1 . 1 17 17 LEU HD11 H 1 0.902 . . . . . . . . 17 L QD1 . 27682 1 74 . 1 . 1 17 17 LEU HD12 H 1 0.902 . . . . . . . . 17 L QD1 . 27682 1 75 . 1 . 1 17 17 LEU HD13 H 1 0.902 . . . . . . . . 17 L QD1 . 27682 1 76 . 1 . 1 17 17 LEU HD21 H 1 0.871 . . . . . . . . 17 L QD2 . 27682 1 77 . 1 . 1 17 17 LEU HD22 H 1 0.871 . . . . . . . . 17 L QD2 . 27682 1 78 . 1 . 1 17 17 LEU HD23 H 1 0.871 . . . . . . . . 17 L QD2 . 27682 1 79 . 1 . 1 17 17 LEU C C 13 177.306 . . . . . . . . 17 L C . 27682 1 80 . 1 . 1 17 17 LEU CA C 13 54.298 . . . . . . . . 17 L CA . 27682 1 81 . 1 . 1 17 17 LEU CB C 13 41.948 . . . . . . . . 17 L CB . 27682 1 82 . 1 . 1 17 17 LEU CD1 C 13 24.709 . . . . . . . . 17 L CD1 . 27682 1 83 . 1 . 1 17 17 LEU CD2 C 13 24.866 . . . . . . . . 17 L CD2 . 27682 1 84 . 1 . 1 17 17 LEU N N 15 122.153 . . . . . . . . 17 L N . 27682 1 85 . 1 . 1 18 18 GLY H H 1 8.078 . . . . . . . . 18 G HN . 27682 1 86 . 1 . 1 18 18 GLY C C 13 173.767 . . . . . . . . 18 G C . 27682 1 87 . 1 . 1 18 18 GLY CA C 13 44.907 . . . . . . . . 18 G CA . 27682 1 88 . 1 . 1 18 18 GLY N N 15 108.818 . . . . . . . . 18 G N . 27682 1 89 . 1 . 1 19 19 GLU H H 1 8.332 . . . . . . . . 19 E HN . 27682 1 90 . 1 . 1 19 19 GLU CA C 13 54.185 . . . . . . . . 19 E CA . 27682 1 91 . 1 . 1 19 19 GLU CB C 13 28.105 . . . . . . . . 19 E CB . 27682 1 92 . 1 . 1 19 19 GLU N N 15 122.009 . . . . . . . . 19 E N . 27682 1 93 . 1 . 1 20 20 PRO C C 13 176.080 . . . . . . . . 20 P C . 27682 1 94 . 1 . 1 21 21 ARG H H 1 8.402 . . . . . . . . 21 R HN . 27682 1 95 . 1 . 1 21 21 ARG C C 13 173.904 . . . . . . . . 21 R C . 27682 1 96 . 1 . 1 21 21 ARG CA C 13 55.248 . . . . . . . . 21 R CA . 27682 1 97 . 1 . 1 21 21 ARG CB C 13 31.258 . . . . . . . . 21 R CB . 27682 1 98 . 1 . 1 21 21 ARG N N 15 125.271 . . . . . . . . 21 R N . 27682 1 99 . 1 . 1 22 22 TYR H H 1 9.240 . . . . . . . . 22 Y HN . 27682 1 100 . 1 . 1 22 22 TYR C C 13 172.957 . . . . . . . . 22 Y C . 27682 1 101 . 1 . 1 22 22 TYR CA C 13 54.679 . . . . . . . . 22 Y CA . 27682 1 102 . 1 . 1 22 22 TYR CB C 13 41.667 . . . . . . . . 22 Y CB . 27682 1 103 . 1 . 1 22 22 TYR N N 15 131.345 . . . . . . . . 22 Y N . 27682 1 104 . 1 . 1 23 23 ILE H H 1 8.893 . . . . . . . . 23 I HN . 27682 1 105 . 1 . 1 23 23 ILE HD11 H 1 0.733 . . . . . . . . 23 I QD1 . 27682 1 106 . 1 . 1 23 23 ILE HD12 H 1 0.733 . . . . . . . . 23 I QD1 . 27682 1 107 . 1 . 1 23 23 ILE HD13 H 1 0.733 . . . . . . . . 23 I QD1 . 27682 1 108 . 1 . 1 23 23 ILE C C 13 174.925 . . . . . . . . 23 I C . 27682 1 109 . 1 . 1 23 23 ILE CA C 13 59.036 . . . . . . . . 23 I CA . 27682 1 110 . 1 . 1 23 23 ILE CB C 13 42.029 . . . . . . . . 23 I CB . 27682 1 111 . 1 . 1 23 23 ILE CD1 C 13 14.679 . . . . . . . . 23 I CD1 . 27682 1 112 . 1 . 1 23 23 ILE N N 15 127.685 . . . . . . . . 23 I N . 27682 1 113 . 1 . 1 24 24 SER H H 1 8.949 . . . . . . . . 24 S HN . 27682 1 114 . 1 . 1 24 24 SER C C 13 174.076 . . . . . . . . 24 S C . 27682 1 115 . 1 . 1 24 24 SER CA C 13 55.767 . . . . . . . . 24 S CA . 27682 1 116 . 1 . 1 24 24 SER CB C 13 63.467 . . . . . . . . 24 S CB . 27682 1 117 . 1 . 1 24 24 SER N N 15 121.866 . . . . . . . . 24 S N . 27682 1 118 . 1 . 1 25 25 VAL H H 1 8.683 . . . . . . . . 25 V HN . 27682 1 119 . 1 . 1 25 25 VAL HG21 H 1 0.570 . . . . . . . . 25 V QG2 . 27682 1 120 . 1 . 1 25 25 VAL HG22 H 1 0.570 . . . . . . . . 25 V QG2 . 27682 1 121 . 1 . 1 25 25 VAL HG23 H 1 0.570 . . . . . . . . 25 V QG2 . 27682 1 122 . 1 . 1 25 25 VAL C C 13 174.761 . . . . . . . . 25 V C . 27682 1 123 . 1 . 1 25 25 VAL CA C 13 61.069 . . . . . . . . 25 V CA . 27682 1 124 . 1 . 1 25 25 VAL CB C 13 33.885 . . . . . . . . 25 V CB . 27682 1 125 . 1 . 1 25 25 VAL CG2 C 13 21.337 . . . . . . . . 25 V CG2 . 27682 1 126 . 1 . 1 25 25 VAL N N 15 128.791 . . . . . . . . 25 V N . 27682 1 127 . 1 . 1 26 26 GLY H H 1 8.079 . . . . . . . . 26 G HN . 27682 1 128 . 1 . 1 26 26 GLY C C 13 173.121 . . . . . . . . 26 G C . 27682 1 129 . 1 . 1 26 26 GLY CA C 13 44.186 . . . . . . . . 26 G CA . 27682 1 130 . 1 . 1 26 26 GLY N N 15 112.375 . . . . . . . . 26 G N . 27682 1 131 . 1 . 1 27 27 TYR H H 1 9.507 . . . . . . . . 27 Y HN . 27682 1 132 . 1 . 1 27 27 TYR C C 13 175.797 . . . . . . . . 27 Y C . 27682 1 133 . 1 . 1 27 27 TYR CA C 13 57.359 . . . . . . . . 27 Y CA . 27682 1 134 . 1 . 1 27 27 TYR CB C 13 42.751 . . . . . . . . 27 Y CB . 27682 1 135 . 1 . 1 27 27 TYR N N 15 123.219 . . . . . . . . 27 Y N . 27682 1 136 . 1 . 1 28 28 VAL H H 1 8.715 . . . . . . . . 28 V HN . 27682 1 137 . 1 . 1 28 28 VAL HG11 H 1 0.445 . . . . . . . . 28 V QG1 . 27682 1 138 . 1 . 1 28 28 VAL HG12 H 1 0.445 . . . . . . . . 28 V QG1 . 27682 1 139 . 1 . 1 28 28 VAL HG13 H 1 0.445 . . . . . . . . 28 V QG1 . 27682 1 140 . 1 . 1 28 28 VAL HG21 H 1 0.752 . . . . . . . . 28 V QG2 . 27682 1 141 . 1 . 1 28 28 VAL HG22 H 1 0.752 . . . . . . . . 28 V QG2 . 27682 1 142 . 1 . 1 28 28 VAL HG23 H 1 0.752 . . . . . . . . 28 V QG2 . 27682 1 143 . 1 . 1 28 28 VAL C C 13 175.619 . . . . . . . . 28 V C . 27682 1 144 . 1 . 1 28 28 VAL CA C 13 60.906 . . . . . . . . 28 V CA . 27682 1 145 . 1 . 1 28 28 VAL CB C 13 33.613 . . . . . . . . 28 V CB . 27682 1 146 . 1 . 1 28 28 VAL CG1 C 13 21.743 . . . . . . . . 28 V CG1 . 27682 1 147 . 1 . 1 28 28 VAL CG2 C 13 21.762 . . . . . . . . 28 V CG2 . 27682 1 148 . 1 . 1 28 28 VAL N N 15 122.850 . . . . . . . . 28 V N . 27682 1 149 . 1 . 1 29 29 ASP H H 1 9.846 . . . . . . . . 29 D HN . 27682 1 150 . 1 . 1 29 29 ASP CA C 13 55.228 . . . . . . . . 29 D CA . 27682 1 151 . 1 . 1 29 29 ASP CB C 13 37.342 . . . . . . . . 29 D CB . 27682 1 152 . 1 . 1 29 29 ASP N N 15 129.374 . . . . . . . . 29 D N . 27682 1 153 . 1 . 1 30 30 ASN C C 13 174.084 . . . . . . . . 30 N C . 27682 1 154 . 1 . 1 31 31 LYS H H 1 8.687 . . . . . . . . 31 K HN . 27682 1 155 . 1 . 1 31 31 LYS C C 13 175.811 . . . . . . . . 31 K C . 27682 1 156 . 1 . 1 31 31 LYS CA C 13 54.720 . . . . . . . . 31 K CA . 27682 1 157 . 1 . 1 31 31 LYS CB C 13 32.798 . . . . . . . . 31 K CB . 27682 1 158 . 1 . 1 31 31 LYS N N 15 124.354 . . . . . . . . 31 K N . 27682 1 159 . 1 . 1 32 32 GLU H H 1 9.124 . . . . . . . . 32 E HN . 27682 1 160 . 1 . 1 32 32 GLU C C 13 176.632 . . . . . . . . 32 E C . 27682 1 161 . 1 . 1 32 32 GLU CA C 13 56.800 . . . . . . . . 32 E CA . 27682 1 162 . 1 . 1 32 32 GLU CB C 13 28.564 . . . . . . . . 32 E CB . 27682 1 163 . 1 . 1 32 32 GLU N N 15 131.048 . . . . . . . . 32 E N . 27682 1 164 . 1 . 1 33 33 PHE H H 1 9.119 . . . . . . . . 33 F HN . 27682 1 165 . 1 . 1 33 33 PHE C C 13 175.097 . . . . . . . . 33 F C . 27682 1 166 . 1 . 1 33 33 PHE CA C 13 56.849 . . . . . . . . 33 F CA . 27682 1 167 . 1 . 1 33 33 PHE CB C 13 41.555 . . . . . . . . 33 F CB . 27682 1 168 . 1 . 1 33 33 PHE N N 15 122.678 . . . . . . . . 33 F N . 27682 1 169 . 1 . 1 34 34 VAL H H 1 6.775 . . . . . . . . 34 V HN . 27682 1 170 . 1 . 1 34 34 VAL HG11 H 1 0.607 . . . . . . . . 34 V QG1 . 27682 1 171 . 1 . 1 34 34 VAL HG12 H 1 0.607 . . . . . . . . 34 V QG1 . 27682 1 172 . 1 . 1 34 34 VAL HG13 H 1 0.607 . . . . . . . . 34 V QG1 . 27682 1 173 . 1 . 1 34 34 VAL HG21 H 1 0.149 . . . . . . . . 34 V QG2 . 27682 1 174 . 1 . 1 34 34 VAL HG22 H 1 0.149 . . . . . . . . 34 V QG2 . 27682 1 175 . 1 . 1 34 34 VAL HG23 H 1 0.149 . . . . . . . . 34 V QG2 . 27682 1 176 . 1 . 1 34 34 VAL C C 13 173.315 . . . . . . . . 34 V C . 27682 1 177 . 1 . 1 34 34 VAL CA C 13 60.236 . . . . . . . . 34 V CA . 27682 1 178 . 1 . 1 34 34 VAL CB C 13 36.397 . . . . . . . . 34 V CB . 27682 1 179 . 1 . 1 34 34 VAL CG1 C 13 23.110 . . . . . . . . 34 V CG1 . 27682 1 180 . 1 . 1 34 34 VAL CG2 C 13 18.255 . . . . . . . . 34 V CG2 . 27682 1 181 . 1 . 1 34 34 VAL N N 15 117.956 . . . . . . . . 34 V N . 27682 1 182 . 1 . 1 35 35 ARG H H 1 7.959 . . . . . . . . 35 R HN . 27682 1 183 . 1 . 1 35 35 ARG C C 13 173.804 . . . . . . . . 35 R C . 27682 1 184 . 1 . 1 35 35 ARG CA C 13 55.893 . . . . . . . . 35 R CA . 27682 1 185 . 1 . 1 35 35 ARG CB C 13 34.023 . . . . . . . . 35 R CB . 27682 1 186 . 1 . 1 35 35 ARG N N 15 121.084 . . . . . . . . 35 R N . 27682 1 187 . 1 . 1 36 36 PHE H H 1 9.673 . . . . . . . . 36 F HN . 27682 1 188 . 1 . 1 36 36 PHE C C 13 172.481 . . . . . . . . 36 F C . 27682 1 189 . 1 . 1 36 36 PHE CA C 13 56.583 . . . . . . . . 36 F CA . 27682 1 190 . 1 . 1 36 36 PHE CB C 13 41.630 . . . . . . . . 36 F CB . 27682 1 191 . 1 . 1 36 36 PHE N N 15 131.349 . . . . . . . . 36 F N . 27682 1 192 . 1 . 1 37 37 ASP H H 1 7.554 . . . . . . . . 37 D HN . 27682 1 193 . 1 . 1 37 37 ASP C C 13 176.364 . . . . . . . . 37 D C . 27682 1 194 . 1 . 1 37 37 ASP CA C 13 51.976 . . . . . . . . 37 D CA . 27682 1 195 . 1 . 1 37 37 ASP CB C 13 42.690 . . . . . . . . 37 D CB . 27682 1 196 . 1 . 1 37 37 ASP N N 15 128.076 . . . . . . . . 37 D N . 27682 1 197 . 1 . 1 38 38 SER H H 1 9.602 . . . . . . . . 38 S HN . 27682 1 198 . 1 . 1 38 38 SER C C 13 174.943 . . . . . . . . 38 S C . 27682 1 199 . 1 . 1 38 38 SER CA C 13 61.096 . . . . . . . . 38 S CA . 27682 1 200 . 1 . 1 38 38 SER CB C 13 62.736 . . . . . . . . 38 S CB . 27682 1 201 . 1 . 1 38 38 SER N N 15 124.025 . . . . . . . . 38 S N . 27682 1 202 . 1 . 1 39 39 ASP H H 1 8.571 . . . . . . . . 39 D HN . 27682 1 203 . 1 . 1 39 39 ASP C C 13 176.813 . . . . . . . . 39 D C . 27682 1 204 . 1 . 1 39 39 ASP CA C 13 54.050 . . . . . . . . 39 D CA . 27682 1 205 . 1 . 1 39 39 ASP CB C 13 39.888 . . . . . . . . 39 D CB . 27682 1 206 . 1 . 1 39 39 ASP N N 15 123.177 . . . . . . . . 39 D N . 27682 1 207 . 1 . 1 40 40 ALA H H 1 7.488 . . . . . . . . 40 A HN . 27682 1 208 . 1 . 1 40 40 ALA C C 13 176.482 . . . . . . . . 40 A C . 27682 1 209 . 1 . 1 40 40 ALA CA C 13 51.673 . . . . . . . . 40 A CA . 27682 1 210 . 1 . 1 40 40 ALA CB C 13 19.103 . . . . . . . . 40 A CB . 27682 1 211 . 1 . 1 40 40 ALA N N 15 124.202 . . . . . . . . 40 A N . 27682 1 212 . 1 . 1 41 41 GLU H H 1 8.360 . . . . . . . . 41 E HN . 27682 1 213 . 1 . 1 41 41 GLU C C 13 177.222 . . . . . . . . 41 E C . 27682 1 214 . 1 . 1 41 41 GLU CA C 13 58.582 . . . . . . . . 41 E CA . 27682 1 215 . 1 . 1 41 41 GLU CB C 13 28.833 . . . . . . . . 41 E CB . 27682 1 216 . 1 . 1 41 41 GLU N N 15 121.128 . . . . . . . . 41 E N . 27682 1 217 . 1 . 1 42 42 ASN H H 1 8.232 . . . . . . . . 42 N HN . 27682 1 218 . 1 . 1 42 42 ASN CA C 13 50.463 . . . . . . . . 42 N CA . 27682 1 219 . 1 . 1 42 42 ASN CB C 13 38.174 . . . . . . . . 42 N CB . 27682 1 220 . 1 . 1 42 42 ASN N N 15 116.315 . . . . . . . . 42 N N . 27682 1 221 . 1 . 1 43 43 PRO C C 13 175.416 . . . . . . . . 43 P C . 27682 1 222 . 1 . 1 44 44 ARG H H 1 7.824 . . . . . . . . 44 R HN . 27682 1 223 . 1 . 1 44 44 ARG C C 13 176.434 . . . . . . . . 44 R C . 27682 1 224 . 1 . 1 44 44 ARG CA C 13 54.692 . . . . . . . . 44 R CA . 27682 1 225 . 1 . 1 44 44 ARG CB C 13 31.242 . . . . . . . . 44 R CB . 27682 1 226 . 1 . 1 44 44 ARG N N 15 122.158 . . . . . . . . 44 R N . 27682 1 227 . 1 . 1 45 45 TYR H H 1 8.091 . . . . . . . . 45 Y HN . 27682 1 228 . 1 . 1 45 45 TYR C C 13 176.284 . . . . . . . . 45 Y C . 27682 1 229 . 1 . 1 45 45 TYR CA C 13 60.541 . . . . . . . . 45 Y CA . 27682 1 230 . 1 . 1 45 45 TYR CB C 13 38.859 . . . . . . . . 45 Y CB . 27682 1 231 . 1 . 1 45 45 TYR N N 15 120.617 . . . . . . . . 45 Y N . 27682 1 232 . 1 . 1 46 46 GLU H H 1 8.746 . . . . . . . . 46 E HN . 27682 1 233 . 1 . 1 46 46 GLU CA C 13 52.176 . . . . . . . . 46 E CA . 27682 1 234 . 1 . 1 46 46 GLU CB C 13 30.982 . . . . . . . . 46 E CB . 27682 1 235 . 1 . 1 46 46 GLU N N 15 119.979 . . . . . . . . 46 E N . 27682 1 236 . 1 . 1 48 48 GLN CA C 13 60.599 . . . . . . . . 48 Q CA . 27682 1 237 . 1 . 1 51 51 TRP C C 13 178.047 . . . . . . . . 51 W C . 27682 1 238 . 1 . 1 52 52 MET H H 1 7.193 . . . . . . . . 52 M HN . 27682 1 239 . 1 . 1 52 52 MET C C 13 178.387 . . . . . . . . 52 M C . 27682 1 240 . 1 . 1 52 52 MET CA C 13 53.915 . . . . . . . . 52 M CA . 27682 1 241 . 1 . 1 52 52 MET CB C 13 30.062 . . . . . . . . 52 M CB . 27682 1 242 . 1 . 1 52 52 MET N N 15 119.354 . . . . . . . . 52 M N . 27682 1 243 . 1 . 1 53 53 GLU H H 1 7.818 . . . . . . . . 53 E HN . 27682 1 244 . 1 . 1 53 53 GLU C C 13 176.495 . . . . . . . . 53 E C . 27682 1 245 . 1 . 1 53 53 GLU CA C 13 58.196 . . . . . . . . 53 E CA . 27682 1 246 . 1 . 1 53 53 GLU CB C 13 28.209 . . . . . . . . 53 E CB . 27682 1 247 . 1 . 1 53 53 GLU N N 15 119.848 . . . . . . . . 53 E N . 27682 1 248 . 1 . 1 54 54 GLN H H 1 7.462 . . . . . . . . 54 Q HN . 27682 1 249 . 1 . 1 54 54 GLN C C 13 177.270 . . . . . . . . 54 Q C . 27682 1 250 . 1 . 1 54 54 GLN CA C 13 56.429 . . . . . . . . 54 Q CA . 27682 1 251 . 1 . 1 54 54 GLN CB C 13 28.923 . . . . . . . . 54 Q CB . 27682 1 252 . 1 . 1 54 54 GLN N N 15 114.880 . . . . . . . . 54 Q N . 27682 1 253 . 1 . 1 55 55 GLU H H 1 7.526 . . . . . . . . 55 E HN . 27682 1 254 . 1 . 1 55 55 GLU C C 13 177.915 . . . . . . . . 55 E C . 27682 1 255 . 1 . 1 55 55 GLU CA C 13 55.569 . . . . . . . . 55 E CA . 27682 1 256 . 1 . 1 55 55 GLU CB C 13 28.683 . . . . . . . . 55 E CB . 27682 1 257 . 1 . 1 55 55 GLU N N 15 119.956 . . . . . . . . 55 E N . 27682 1 258 . 1 . 1 56 56 GLY H H 1 8.972 . . . . . . . . 56 G HN . 27682 1 259 . 1 . 1 56 56 GLY CA C 13 44.686 . . . . . . . . 56 G CA . 27682 1 260 . 1 . 1 56 56 GLY N N 15 111.545 . . . . . . . . 56 G N . 27682 1 261 . 1 . 1 57 57 PRO C C 13 179.209 . . . . . . . . 57 P C . 27682 1 262 . 1 . 1 58 58 GLU H H 1 9.223 . . . . . . . . 58 E HN . 27682 1 263 . 1 . 1 58 58 GLU CA C 13 59.324 . . . . . . . . 58 E CA . 27682 1 264 . 1 . 1 58 58 GLU CB C 13 27.875 . . . . . . . . 58 E CB . 27682 1 265 . 1 . 1 58 58 GLU N N 15 118.585 . . . . . . . . 58 E N . 27682 1 266 . 1 . 1 59 59 TYR C C 13 176.244 . . . . . . . . 59 Y C . 27682 1 267 . 1 . 1 59 59 TYR CA C 13 61.424 . . . . . . . . 59 Y CA . 27682 1 268 . 1 . 1 59 59 TYR CB C 13 37.574 . . . . . . . . 59 Y CB . 27682 1 269 . 1 . 1 60 60 TRP H H 1 6.889 . . . . . . . . 60 W HN . 27682 1 270 . 1 . 1 60 60 TRP C C 13 179.444 . . . . . . . . 60 W C . 27682 1 271 . 1 . 1 60 60 TRP CA C 13 58.692 . . . . . . . . 60 W CA . 27682 1 272 . 1 . 1 60 60 TRP CB C 13 28.765 . . . . . . . . 60 W CB . 27682 1 273 . 1 . 1 60 60 TRP N N 15 119.922 . . . . . . . . 60 W N . 27682 1 274 . 1 . 1 61 61 GLU H H 1 8.473 . . . . . . . . 61 E HN . 27682 1 275 . 1 . 1 61 61 GLU C C 13 179.079 . . . . . . . . 61 E C . 27682 1 276 . 1 . 1 61 61 GLU CA C 13 59.040 . . . . . . . . 61 E CA . 27682 1 277 . 1 . 1 61 61 GLU CB C 13 28.933 . . . . . . . . 61 E CB . 27682 1 278 . 1 . 1 61 61 GLU N N 15 121.345 . . . . . . . . 61 E N . 27682 1 279 . 1 . 1 62 62 ARG H H 1 8.039 . . . . . . . . 62 R HN . 27682 1 280 . 1 . 1 62 62 ARG C C 13 180.389 . . . . . . . . 62 R C . 27682 1 281 . 1 . 1 62 62 ARG CA C 13 59.156 . . . . . . . . 62 R CA . 27682 1 282 . 1 . 1 62 62 ARG CB C 13 29.229 . . . . . . . . 62 R CB . 27682 1 283 . 1 . 1 62 62 ARG N N 15 120.670 . . . . . . . . 62 R N . 27682 1 284 . 1 . 1 63 63 ILE H H 1 8.286 . . . . . . . . 63 I HN . 27682 1 285 . 1 . 1 63 63 ILE HD11 H 1 -0.083 . . . . . . . . 63 I QD1 . 27682 1 286 . 1 . 1 63 63 ILE HD12 H 1 -0.083 . . . . . . . . 63 I QD1 . 27682 1 287 . 1 . 1 63 63 ILE HD13 H 1 -0.083 . . . . . . . . 63 I QD1 . 27682 1 288 . 1 . 1 63 63 ILE C C 13 178.471 . . . . . . . . 63 I C . 27682 1 289 . 1 . 1 63 63 ILE CA C 13 65.150 . . . . . . . . 63 I CA . 27682 1 290 . 1 . 1 63 63 ILE CB C 13 35.809 . . . . . . . . 63 I CB . 27682 1 291 . 1 . 1 63 63 ILE CD1 C 13 14.442 . . . . . . . . 63 I CD1 . 27682 1 292 . 1 . 1 63 63 ILE N N 15 113.047 . . . . . . . . 63 I N . 27682 1 293 . 1 . 1 64 64 THR H H 1 8.056 . . . . . . . . 64 T HN . 27682 1 294 . 1 . 1 64 64 THR C C 13 175.401 . . . . . . . . 64 T C . 27682 1 295 . 1 . 1 64 64 THR N N 15 123.049 . . . . . . . . 64 T N . 27682 1 296 . 1 . 1 65 65 GLN H H 1 7.962 . . . . . . . . 65 Q HN . 27682 1 297 . 1 . 1 65 65 GLN C C 13 180.064 . . . . . . . . 65 Q C . 27682 1 298 . 1 . 1 65 65 GLN CA C 13 58.984 . . . . . . . . 65 Q CA . 27682 1 299 . 1 . 1 65 65 GLN CB C 13 27.088 . . . . . . . . 65 Q CB . 27682 1 300 . 1 . 1 65 65 GLN N N 15 122.134 . . . . . . . . 65 Q N . 27682 1 301 . 1 . 1 66 66 ILE H H 1 7.492 . . . . . . . . 66 I HN . 27682 1 302 . 1 . 1 66 66 ILE HD11 H 1 0.471 . . . . . . . . 66 I QD1 . 27682 1 303 . 1 . 1 66 66 ILE HD12 H 1 0.471 . . . . . . . . 66 I QD1 . 27682 1 304 . 1 . 1 66 66 ILE HD13 H 1 0.471 . . . . . . . . 66 I QD1 . 27682 1 305 . 1 . 1 66 66 ILE C C 13 177.994 . . . . . . . . 66 I C . 27682 1 306 . 1 . 1 66 66 ILE CA C 13 65.591 . . . . . . . . 66 I CA . 27682 1 307 . 1 . 1 66 66 ILE CB C 13 36.488 . . . . . . . . 66 I CB . 27682 1 308 . 1 . 1 66 66 ILE CD1 C 13 13.843 . . . . . . . . 66 I CD1 . 27682 1 309 . 1 . 1 66 66 ILE N N 15 122.627 . . . . . . . . 66 I N . 27682 1 310 . 1 . 1 67 67 ALA H H 1 7.931 . . . . . . . . 67 A HN . 27682 1 311 . 1 . 1 67 67 ALA C C 13 179.255 . . . . . . . . 67 A C . 27682 1 312 . 1 . 1 67 67 ALA CA C 13 55.021 . . . . . . . . 67 A CA . 27682 1 313 . 1 . 1 67 67 ALA CB C 13 16.455 . . . . . . . . 67 A CB . 27682 1 314 . 1 . 1 67 67 ALA N N 15 124.726 . . . . . . . . 67 A N . 27682 1 315 . 1 . 1 68 68 LYS H H 1 8.027 . . . . . . . . 68 K HN . 27682 1 316 . 1 . 1 68 68 LYS C C 13 181.170 . . . . . . . . 68 K C . 27682 1 317 . 1 . 1 68 68 LYS CA C 13 58.433 . . . . . . . . 68 K CA . 27682 1 318 . 1 . 1 68 68 LYS CB C 13 30.765 . . . . . . . . 68 K CB . 27682 1 319 . 1 . 1 68 68 LYS N N 15 116.566 . . . . . . . . 68 K N . 27682 1 320 . 1 . 1 69 69 GLY H H 1 7.860 . . . . . . . . 69 G HN . 27682 1 321 . 1 . 1 69 69 GLY C C 13 177.183 . . . . . . . . 69 G C . 27682 1 322 . 1 . 1 69 69 GLY CA C 13 46.657 . . . . . . . . 69 G CA . 27682 1 323 . 1 . 1 69 69 GLY N N 15 109.023 . . . . . . . . 69 G N . 27682 1 324 . 1 . 1 70 70 GLN H H 1 9.032 . . . . . . . . 70 Q HN . 27682 1 325 . 1 . 1 70 70 GLN C C 13 179.095 . . . . . . . . 70 Q C . 27682 1 326 . 1 . 1 70 70 GLN CA C 13 57.654 . . . . . . . . 70 Q CA . 27682 1 327 . 1 . 1 70 70 GLN CB C 13 30.842 . . . . . . . . 70 Q CB . 27682 1 328 . 1 . 1 70 70 GLN N N 15 128.368 . . . . . . . . 70 Q N . 27682 1 329 . 1 . 1 71 71 GLU H H 1 8.631 . . . . . . . . 71 E HN . 27682 1 330 . 1 . 1 71 71 GLU C C 13 179.320 . . . . . . . . 71 E C . 27682 1 331 . 1 . 1 71 71 GLU CA C 13 59.791 . . . . . . . . 71 E CA . 27682 1 332 . 1 . 1 71 71 GLU CB C 13 29.241 . . . . . . . . 71 E CB . 27682 1 333 . 1 . 1 71 71 GLU N N 15 120.563 . . . . . . . . 71 E N . 27682 1 334 . 1 . 1 72 72 GLN H H 1 7.014 . . . . . . . . 72 Q HN . 27682 1 335 . 1 . 1 72 72 GLN C C 13 177.309 . . . . . . . . 72 Q C . 27682 1 336 . 1 . 1 72 72 GLN CA C 13 58.102 . . . . . . . . 72 Q CA . 27682 1 337 . 1 . 1 72 72 GLN CB C 13 27.002 . . . . . . . . 72 Q CB . 27682 1 338 . 1 . 1 72 72 GLN N N 15 116.765 . . . . . . . . 72 Q N . 27682 1 339 . 1 . 1 73 73 TRP H H 1 8.033 . . . . . . . . 73 W HN . 27682 1 340 . 1 . 1 73 73 TRP C C 13 180.744 . . . . . . . . 73 W C . 27682 1 341 . 1 . 1 73 73 TRP CA C 13 62.288 . . . . . . . . 73 W CA . 27682 1 342 . 1 . 1 73 73 TRP CB C 13 27.931 . . . . . . . . 73 W CB . 27682 1 343 . 1 . 1 73 73 TRP N N 15 122.910 . . . . . . . . 73 W N . 27682 1 344 . 1 . 1 74 74 PHE H H 1 9.418 . . . . . . . . 74 F HN . 27682 1 345 . 1 . 1 74 74 PHE CA C 13 63.261 . . . . . . . . 74 F CA . 27682 1 346 . 1 . 1 74 74 PHE CB C 13 38.565 . . . . . . . . 74 F CB . 27682 1 347 . 1 . 1 74 74 PHE N N 15 121.313 . . . . . . . . 74 F N . 27682 1 348 . 1 . 1 75 75 ARG C C 13 179.746 . . . . . . . . 75 R C . 27682 1 349 . 1 . 1 75 75 ARG CA C 13 60.133 . . . . . . . . 75 R CA . 27682 1 350 . 1 . 1 75 75 ARG CB C 13 29.715 . . . . . . . . 75 R CB . 27682 1 351 . 1 . 1 76 76 VAL H H 1 7.899 . . . . . . . . 76 V HN . 27682 1 352 . 1 . 1 76 76 VAL HG11 H 1 0.494 . . . . . . . . 76 V QG1 . 27682 1 353 . 1 . 1 76 76 VAL HG12 H 1 0.494 . . . . . . . . 76 V QG1 . 27682 1 354 . 1 . 1 76 76 VAL HG13 H 1 0.494 . . . . . . . . 76 V QG1 . 27682 1 355 . 1 . 1 76 76 VAL HG21 H 1 0.882 . . . . . . . . 76 V QG2 . 27682 1 356 . 1 . 1 76 76 VAL HG22 H 1 0.882 . . . . . . . . 76 V QG2 . 27682 1 357 . 1 . 1 76 76 VAL HG23 H 1 0.882 . . . . . . . . 76 V QG2 . 27682 1 358 . 1 . 1 76 76 VAL C C 13 178.087 . . . . . . . . 76 V C . 27682 1 359 . 1 . 1 76 76 VAL CA C 13 65.319 . . . . . . . . 76 V CA . 27682 1 360 . 1 . 1 76 76 VAL CB C 13 31.330 . . . . . . . . 76 V CB . 27682 1 361 . 1 . 1 76 76 VAL CG1 C 13 20.015 . . . . . . . . 76 V CG1 . 27682 1 362 . 1 . 1 76 76 VAL CG2 C 13 22.193 . . . . . . . . 76 V CG2 . 27682 1 363 . 1 . 1 76 76 VAL N N 15 118.984 . . . . . . . . 76 V N . 27682 1 364 . 1 . 1 77 77 ASN H H 1 7.474 . . . . . . . . 77 N HN . 27682 1 365 . 1 . 1 77 77 ASN C C 13 177.059 . . . . . . . . 77 N C . 27682 1 366 . 1 . 1 77 77 ASN CA C 13 57.758 . . . . . . . . 77 N CA . 27682 1 367 . 1 . 1 77 77 ASN CB C 13 37.324 . . . . . . . . 77 N CB . 27682 1 368 . 1 . 1 77 77 ASN N N 15 118.897 . . . . . . . . 77 N N . 27682 1 369 . 1 . 1 78 78 LEU H H 1 8.398 . . . . . . . . 78 L HN . 27682 1 370 . 1 . 1 78 78 LEU HD11 H 1 1.137 . . . . . . . . 78 L QD1 . 27682 1 371 . 1 . 1 78 78 LEU HD12 H 1 1.137 . . . . . . . . 78 L QD1 . 27682 1 372 . 1 . 1 78 78 LEU HD13 H 1 1.137 . . . . . . . . 78 L QD1 . 27682 1 373 . 1 . 1 78 78 LEU HD21 H 1 0.924 . . . . . . . . 78 L QD2 . 27682 1 374 . 1 . 1 78 78 LEU HD22 H 1 0.924 . . . . . . . . 78 L QD2 . 27682 1 375 . 1 . 1 78 78 LEU HD23 H 1 0.924 . . . . . . . . 78 L QD2 . 27682 1 376 . 1 . 1 78 78 LEU C C 13 180.035 . . . . . . . . 78 L C . 27682 1 377 . 1 . 1 78 78 LEU CA C 13 58.516 . . . . . . . . 78 L CA . 27682 1 378 . 1 . 1 78 78 LEU CB C 13 41.376 . . . . . . . . 78 L CB . 27682 1 379 . 1 . 1 78 78 LEU CD1 C 13 24.491 . . . . . . . . 78 L CD1 . 27682 1 380 . 1 . 1 78 78 LEU CD2 C 13 26.171 . . . . . . . . 78 L CD2 . 27682 1 381 . 1 . 1 78 78 LEU N N 15 122.544 . . . . . . . . 78 L N . 27682 1 382 . 1 . 1 79 79 ARG H H 1 6.811 . . . . . . . . 79 R HN . 27682 1 383 . 1 . 1 79 79 ARG C C 13 179.626 . . . . . . . . 79 R C . 27682 1 384 . 1 . 1 79 79 ARG CA C 13 59.170 . . . . . . . . 79 R CA . 27682 1 385 . 1 . 1 79 79 ARG CB C 13 28.326 . . . . . . . . 79 R CB . 27682 1 386 . 1 . 1 79 79 ARG N N 15 119.495 . . . . . . . . 79 R N . 27682 1 387 . 1 . 1 80 80 THR H H 1 8.003 . . . . . . . . 80 T HN . 27682 1 388 . 1 . 1 80 80 THR C C 13 176.700 . . . . . . . . 80 T C . 27682 1 389 . 1 . 1 80 80 THR CA C 13 65.492 . . . . . . . . 80 T CA . 27682 1 390 . 1 . 1 80 80 THR CB C 13 67.521 . . . . . . . . 80 T CB . 27682 1 391 . 1 . 1 80 80 THR N N 15 119.701 . . . . . . . . 80 T N . 27682 1 392 . 1 . 1 81 81 LEU H H 1 7.472 . . . . . . . . 81 L HN . 27682 1 393 . 1 . 1 81 81 LEU HD11 H 1 0.057 . . . . . . . . 81 L QD1 . 27682 1 394 . 1 . 1 81 81 LEU HD12 H 1 0.057 . . . . . . . . 81 L QD1 . 27682 1 395 . 1 . 1 81 81 LEU HD13 H 1 0.057 . . . . . . . . 81 L QD1 . 27682 1 396 . 1 . 1 81 81 LEU HD21 H 1 -0.024 . . . . . . . . 81 L QD2 . 27682 1 397 . 1 . 1 81 81 LEU HD22 H 1 -0.024 . . . . . . . . 81 L QD2 . 27682 1 398 . 1 . 1 81 81 LEU HD23 H 1 -0.024 . . . . . . . . 81 L QD2 . 27682 1 399 . 1 . 1 81 81 LEU C C 13 177.599 . . . . . . . . 81 L C . 27682 1 400 . 1 . 1 81 81 LEU CA C 13 57.995 . . . . . . . . 81 L CA . 27682 1 401 . 1 . 1 81 81 LEU CB C 13 39.368 . . . . . . . . 81 L CB . 27682 1 402 . 1 . 1 81 81 LEU CD1 C 13 22.513 . . . . . . . . 81 L CD1 . 27682 1 403 . 1 . 1 81 81 LEU CD2 C 13 26.134 . . . . . . . . 81 L CD2 . 27682 1 404 . 1 . 1 81 81 LEU N N 15 121.937 . . . . . . . . 81 L N . 27682 1 405 . 1 . 1 82 82 LEU H H 1 7.031 . . . . . . . . 82 L HN . 27682 1 406 . 1 . 1 82 82 LEU HD11 H 1 0.786 . . . . . . . . 82 L QD1 . 27682 1 407 . 1 . 1 82 82 LEU HD12 H 1 0.786 . . . . . . . . 82 L QD1 . 27682 1 408 . 1 . 1 82 82 LEU HD13 H 1 0.786 . . . . . . . . 82 L QD1 . 27682 1 409 . 1 . 1 82 82 LEU HD21 H 1 0.622 . . . . . . . . 82 L QD2 . 27682 1 410 . 1 . 1 82 82 LEU HD22 H 1 0.622 . . . . . . . . 82 L QD2 . 27682 1 411 . 1 . 1 82 82 LEU HD23 H 1 0.622 . . . . . . . . 82 L QD2 . 27682 1 412 . 1 . 1 82 82 LEU C C 13 180.328 . . . . . . . . 82 L C . 27682 1 413 . 1 . 1 82 82 LEU CA C 13 57.860 . . . . . . . . 82 L CA . 27682 1 414 . 1 . 1 82 82 LEU CB C 13 40.803 . . . . . . . . 82 L CB . 27682 1 415 . 1 . 1 82 82 LEU CD1 C 13 25.868 . . . . . . . . 82 L CD1 . 27682 1 416 . 1 . 1 82 82 LEU CD2 C 13 23.811 . . . . . . . . 82 L CD2 . 27682 1 417 . 1 . 1 82 82 LEU N N 15 118.874 . . . . . . . . 82 L N . 27682 1 418 . 1 . 1 83 83 GLY H H 1 7.033 . . . . . . . . 83 G HN . 27682 1 419 . 1 . 1 83 83 GLY C C 13 177.719 . . . . . . . . 83 G C . 27682 1 420 . 1 . 1 83 83 GLY CA C 13 46.352 . . . . . . . . 83 G CA . 27682 1 421 . 1 . 1 83 83 GLY N N 15 103.027 . . . . . . . . 83 G N . 27682 1 422 . 1 . 1 84 84 TYR H H 1 8.021 . . . . . . . . 84 Y HN . 27682 1 423 . 1 . 1 84 84 TYR C C 13 178.492 . . . . . . . . 84 Y C . 27682 1 424 . 1 . 1 84 84 TYR CA C 13 57.010 . . . . . . . . 84 Y CA . 27682 1 425 . 1 . 1 84 84 TYR CB C 13 35.858 . . . . . . . . 84 Y CB . 27682 1 426 . 1 . 1 84 84 TYR N N 15 123.186 . . . . . . . . 84 Y N . 27682 1 427 . 1 . 1 85 85 TYR H H 1 7.869 . . . . . . . . 85 Y HN . 27682 1 428 . 1 . 1 85 85 TYR C C 13 174.699 . . . . . . . . 85 Y C . 27682 1 429 . 1 . 1 85 85 TYR CA C 13 59.167 . . . . . . . . 85 Y CA . 27682 1 430 . 1 . 1 85 85 TYR CB C 13 36.984 . . . . . . . . 85 Y CB . 27682 1 431 . 1 . 1 85 85 TYR N N 15 114.368 . . . . . . . . 85 Y N . 27682 1 432 . 1 . 1 86 86 ASN H H 1 7.853 . . . . . . . . 86 N HN . 27682 1 433 . 1 . 1 86 86 ASN C C 13 174.768 . . . . . . . . 86 N C . 27682 1 434 . 1 . 1 86 86 ASN CA C 13 54.197 . . . . . . . . 86 N CA . 27682 1 435 . 1 . 1 86 86 ASN CB C 13 36.808 . . . . . . . . 86 N CB . 27682 1 436 . 1 . 1 86 86 ASN N N 15 120.384 . . . . . . . . 86 N N . 27682 1 437 . 1 . 1 87 87 GLN H H 1 8.721 . . . . . . . . 87 Q HN . 27682 1 438 . 1 . 1 87 87 GLN C C 13 176.103 . . . . . . . . 87 Q C . 27682 1 439 . 1 . 1 87 87 GLN CA C 13 54.245 . . . . . . . . 87 Q CA . 27682 1 440 . 1 . 1 87 87 GLN CB C 13 30.077 . . . . . . . . 87 Q CB . 27682 1 441 . 1 . 1 87 87 GLN N N 15 118.290 . . . . . . . . 87 Q N . 27682 1 442 . 1 . 1 88 88 SER H H 1 8.375 . . . . . . . . 88 S HN . 27682 1 443 . 1 . 1 88 88 SER C C 13 175.180 . . . . . . . . 88 S C . 27682 1 444 . 1 . 1 88 88 SER CA C 13 57.402 . . . . . . . . 88 S CA . 27682 1 445 . 1 . 1 88 88 SER CB C 13 63.657 . . . . . . . . 88 S CB . 27682 1 446 . 1 . 1 88 88 SER N N 15 115.671 . . . . . . . . 88 S N . 27682 1 447 . 1 . 1 89 89 ALA H H 1 8.708 . . . . . . . . 89 A HN . 27682 1 448 . 1 . 1 89 89 ALA C C 13 178.458 . . . . . . . . 89 A C . 27682 1 449 . 1 . 1 89 89 ALA CA C 13 53.005 . . . . . . . . 89 A CA . 27682 1 450 . 1 . 1 89 89 ALA CB C 13 18.118 . . . . . . . . 89 A CB . 27682 1 451 . 1 . 1 89 89 ALA N N 15 126.140 . . . . . . . . 89 A N . 27682 1 452 . 1 . 1 90 90 GLY H H 1 8.424 . . . . . . . . 90 G HN . 27682 1 453 . 1 . 1 90 90 GLY C C 13 174.615 . . . . . . . . 90 G C . 27682 1 454 . 1 . 1 90 90 GLY CA C 13 45.409 . . . . . . . . 90 G CA . 27682 1 455 . 1 . 1 90 90 GLY N N 15 107.597 . . . . . . . . 90 G N . 27682 1 456 . 1 . 1 91 91 GLY H H 1 8.114 . . . . . . . . 91 G HN . 27682 1 457 . 1 . 1 91 91 GLY C C 13 172.802 . . . . . . . . 91 G C . 27682 1 458 . 1 . 1 91 91 GLY CA C 13 43.514 . . . . . . . . 91 G CA . 27682 1 459 . 1 . 1 91 91 GLY N N 15 109.175 . . . . . . . . 91 G N . 27682 1 460 . 1 . 1 92 92 THR H H 1 7.894 . . . . . . . . 92 T HN . 27682 1 461 . 1 . 1 92 92 THR C C 13 173.482 . . . . . . . . 92 T C . 27682 1 462 . 1 . 1 92 92 THR CA C 13 61.542 . . . . . . . . 92 T CA . 27682 1 463 . 1 . 1 92 92 THR CB C 13 69.032 . . . . . . . . 92 T CB . 27682 1 464 . 1 . 1 92 92 THR N N 15 117.716 . . . . . . . . 92 T N . 27682 1 465 . 1 . 1 93 93 HIS H H 1 8.276 . . . . . . . . 93 H HN . 27682 1 466 . 1 . 1 93 93 HIS C C 13 173.164 . . . . . . . . 93 H C . 27682 1 467 . 1 . 1 93 93 HIS CA C 13 54.265 . . . . . . . . 93 H CA . 27682 1 468 . 1 . 1 93 93 HIS CB C 13 33.039 . . . . . . . . 93 H CB . 27682 1 469 . 1 . 1 93 93 HIS N N 15 124.401 . . . . . . . . 93 H N . 27682 1 470 . 1 . 1 94 94 THR H H 1 8.571 . . . . . . . . 94 T HN . 27682 1 471 . 1 . 1 94 94 THR C C 13 173.159 . . . . . . . . 94 T C . 27682 1 472 . 1 . 1 94 94 THR CA C 13 61.242 . . . . . . . . 94 T CA . 27682 1 473 . 1 . 1 94 94 THR CB C 13 70.827 . . . . . . . . 94 T CB . 27682 1 474 . 1 . 1 94 94 THR N N 15 113.807 . . . . . . . . 94 T N . 27682 1 475 . 1 . 1 95 95 LEU H H 1 9.720 . . . . . . . . 95 L HN . 27682 1 476 . 1 . 1 95 95 LEU HD11 H 1 1.280 . . . . . . . . 95 L QD1 . 27682 1 477 . 1 . 1 95 95 LEU HD12 H 1 1.280 . . . . . . . . 95 L QD1 . 27682 1 478 . 1 . 1 95 95 LEU HD13 H 1 1.280 . . . . . . . . 95 L QD1 . 27682 1 479 . 1 . 1 95 95 LEU HD21 H 1 0.983 . . . . . . . . 95 L QD2 . 27682 1 480 . 1 . 1 95 95 LEU HD22 H 1 0.983 . . . . . . . . 95 L QD2 . 27682 1 481 . 1 . 1 95 95 LEU HD23 H 1 0.983 . . . . . . . . 95 L QD2 . 27682 1 482 . 1 . 1 95 95 LEU CA C 13 53.967 . . . . . . . . 95 L CA . 27682 1 483 . 1 . 1 95 95 LEU CB C 13 45.659 . . . . . . . . 95 L CB . 27682 1 484 . 1 . 1 95 95 LEU CD1 C 13 23.264 . . . . . . . . 95 L CD1 . 27682 1 485 . 1 . 1 95 95 LEU CD2 C 13 25.948 . . . . . . . . 95 L CD2 . 27682 1 486 . 1 . 1 95 95 LEU N N 15 130.835 . . . . . . . . 95 L N . 27682 1 487 . 1 . 1 96 96 GLN C C 13 174.091 . . . . . . . . 96 Q C . 27682 1 488 . 1 . 1 96 96 GLN CA C 13 53.937 . . . . . . . . 96 Q CA . 27682 1 489 . 1 . 1 97 97 TRP H H 1 10.250 . . . . . . . . 97 W HN . 27682 1 490 . 1 . 1 97 97 TRP C C 13 173.863 . . . . . . . . 97 W C . 27682 1 491 . 1 . 1 97 97 TRP CA C 13 53.900 . . . . . . . . 97 W CA . 27682 1 492 . 1 . 1 97 97 TRP CB C 13 34.142 . . . . . . . . 97 W CB . 27682 1 493 . 1 . 1 97 97 TRP N N 15 125.536 . . . . . . . . 97 W N . 27682 1 494 . 1 . 1 98 98 MET H H 1 9.630 . . . . . . . . 98 M HN . 27682 1 495 . 1 . 1 98 98 MET C C 13 173.680 . . . . . . . . 98 M C . 27682 1 496 . 1 . 1 98 98 MET CA C 13 53.927 . . . . . . . . 98 M CA . 27682 1 497 . 1 . 1 98 98 MET CB C 13 35.766 . . . . . . . . 98 M CB . 27682 1 498 . 1 . 1 98 98 MET N N 15 128.761 . . . . . . . . 98 M N . 27682 1 499 . 1 . 1 99 99 TYR H H 1 8.181 . . . . . . . . 99 Y HN . 27682 1 500 . 1 . 1 99 99 TYR C C 13 173.808 . . . . . . . . 99 Y C . 27682 1 501 . 1 . 1 99 99 TYR CA C 13 55.077 . . . . . . . . 99 Y CA . 27682 1 502 . 1 . 1 99 99 TYR CB C 13 41.221 . . . . . . . . 99 Y CB . 27682 1 503 . 1 . 1 99 99 TYR N N 15 120.269 . . . . . . . . 99 Y N . 27682 1 504 . 1 . 1 100 100 GLY H H 1 8.075 . . . . . . . . 100 G HN . 27682 1 505 . 1 . 1 100 100 GLY CA C 13 44.427 . . . . . . . . 100 G CA . 27682 1 506 . 1 . 1 100 100 GLY N N 15 102.781 . . . . . . . . 100 G N . 27682 1 507 . 1 . 1 101 101 CYS C C 13 172.079 . . . . . . . . 101 c C . 27682 1 508 . 1 . 1 101 101 CYS CA C 13 52.874 . . . . . . . . 101 c CA . 27682 1 509 . 1 . 1 101 101 CYS CB C 13 48.263 . . . . . . . . 101 c CB . 27682 1 510 . 1 . 1 102 102 ASP H H 1 8.945 . . . . . . . . 102 D HN . 27682 1 511 . 1 . 1 102 102 ASP C C 13 176.361 . . . . . . . . 102 D C . 27682 1 512 . 1 . 1 102 102 ASP CA C 13 52.298 . . . . . . . . 102 D CA . 27682 1 513 . 1 . 1 102 102 ASP CB C 13 42.202 . . . . . . . . 102 D CB . 27682 1 514 . 1 . 1 102 102 ASP N N 15 122.438 . . . . . . . . 102 D N . 27682 1 515 . 1 . 1 103 103 VAL H H 1 9.154 . . . . . . . . 103 V HN . 27682 1 516 . 1 . 1 103 103 VAL HG11 H 1 0.837 . . . . . . . . 103 V QG1 . 27682 1 517 . 1 . 1 103 103 VAL HG12 H 1 0.837 . . . . . . . . 103 V QG1 . 27682 1 518 . 1 . 1 103 103 VAL HG13 H 1 0.837 . . . . . . . . 103 V QG1 . 27682 1 519 . 1 . 1 103 103 VAL HG21 H 1 0.863 . . . . . . . . 103 V QG2 . 27682 1 520 . 1 . 1 103 103 VAL HG22 H 1 0.863 . . . . . . . . 103 V QG2 . 27682 1 521 . 1 . 1 103 103 VAL HG23 H 1 0.863 . . . . . . . . 103 V QG2 . 27682 1 522 . 1 . 1 103 103 VAL C C 13 175.601 . . . . . . . . 103 V C . 27682 1 523 . 1 . 1 103 103 VAL CA C 13 59.504 . . . . . . . . 103 V CA . 27682 1 524 . 1 . 1 103 103 VAL CB C 13 34.430 . . . . . . . . 103 V CB . 27682 1 525 . 1 . 1 103 103 VAL CG1 C 13 20.858 . . . . . . . . 103 V CG1 . 27682 1 526 . 1 . 1 103 103 VAL CG2 C 13 21.881 . . . . . . . . 103 V CG2 . 27682 1 527 . 1 . 1 103 103 VAL N N 15 119.349 . . . . . . . . 103 V N . 27682 1 528 . 1 . 1 104 104 GLY H H 1 8.416 . . . . . . . . 104 G HN . 27682 1 529 . 1 . 1 104 104 GLY CA C 13 43.676 . . . . . . . . 104 G CA . 27682 1 530 . 1 . 1 104 104 GLY N N 15 110.472 . . . . . . . . 104 G N . 27682 1 531 . 1 . 1 105 105 SER C C 13 174.559 . . . . . . . . 105 S C . 27682 1 532 . 1 . 1 106 106 ASP H H 1 8.113 . . . . . . . . 106 D HN . 27682 1 533 . 1 . 1 106 106 ASP C C 13 177.030 . . . . . . . . 106 D C . 27682 1 534 . 1 . 1 106 106 ASP CA C 13 52.860 . . . . . . . . 106 D CA . 27682 1 535 . 1 . 1 106 106 ASP CB C 13 39.572 . . . . . . . . 106 D CB . 27682 1 536 . 1 . 1 106 106 ASP N N 15 119.557 . . . . . . . . 106 D N . 27682 1 537 . 1 . 1 107 107 GLY H H 1 8.077 . . . . . . . . 107 G HN . 27682 1 538 . 1 . 1 107 107 GLY C C 13 173.792 . . . . . . . . 107 G C . 27682 1 539 . 1 . 1 107 107 GLY CA C 13 45.262 . . . . . . . . 107 G CA . 27682 1 540 . 1 . 1 107 107 GLY N N 15 108.026 . . . . . . . . 107 G N . 27682 1 541 . 1 . 1 108 108 ARG H H 1 7.736 . . . . . . . . 108 R HN . 27682 1 542 . 1 . 1 108 108 ARG C C 13 176.250 . . . . . . . . 108 R C . 27682 1 543 . 1 . 1 108 108 ARG CA C 13 54.657 . . . . . . . . 108 R CA . 27682 1 544 . 1 . 1 108 108 ARG CB C 13 30.626 . . . . . . . . 108 R CB . 27682 1 545 . 1 . 1 108 108 ARG N N 15 120.113 . . . . . . . . 108 R N . 27682 1 546 . 1 . 1 109 109 LEU H H 1 8.657 . . . . . . . . 109 L HN . 27682 1 547 . 1 . 1 109 109 LEU HD11 H 1 0.935 . . . . . . . . 109 L QD1 . 27682 1 548 . 1 . 1 109 109 LEU HD12 H 1 0.935 . . . . . . . . 109 L QD1 . 27682 1 549 . 1 . 1 109 109 LEU HD13 H 1 0.935 . . . . . . . . 109 L QD1 . 27682 1 550 . 1 . 1 109 109 LEU HD21 H 1 0.788 . . . . . . . . 109 L QD2 . 27682 1 551 . 1 . 1 109 109 LEU HD22 H 1 0.788 . . . . . . . . 109 L QD2 . 27682 1 552 . 1 . 1 109 109 LEU HD23 H 1 0.788 . . . . . . . . 109 L QD2 . 27682 1 553 . 1 . 1 109 109 LEU C C 13 176.289 . . . . . . . . 109 L C . 27682 1 554 . 1 . 1 109 109 LEU CA C 13 56.652 . . . . . . . . 109 L CA . 27682 1 555 . 1 . 1 109 109 LEU CB C 13 41.300 . . . . . . . . 109 L CB . 27682 1 556 . 1 . 1 109 109 LEU CD1 C 13 24.401 . . . . . . . . 109 L CD1 . 27682 1 557 . 1 . 1 109 109 LEU CD2 C 13 27.078 . . . . . . . . 109 L CD2 . 27682 1 558 . 1 . 1 109 109 LEU N N 15 122.216 . . . . . . . . 109 L N . 27682 1 559 . 1 . 1 110 110 LEU H H 1 9.416 . . . . . . . . 110 L HN . 27682 1 560 . 1 . 1 110 110 LEU HD11 H 1 0.838 . . . . . . . . 110 L QD1 . 27682 1 561 . 1 . 1 110 110 LEU HD12 H 1 0.838 . . . . . . . . 110 L QD1 . 27682 1 562 . 1 . 1 110 110 LEU HD13 H 1 0.838 . . . . . . . . 110 L QD1 . 27682 1 563 . 1 . 1 110 110 LEU HD21 H 1 0.873 . . . . . . . . 110 L QD2 . 27682 1 564 . 1 . 1 110 110 LEU HD22 H 1 0.873 . . . . . . . . 110 L QD2 . 27682 1 565 . 1 . 1 110 110 LEU HD23 H 1 0.873 . . . . . . . . 110 L QD2 . 27682 1 566 . 1 . 1 110 110 LEU C C 13 176.859 . . . . . . . . 110 L C . 27682 1 567 . 1 . 1 110 110 LEU CA C 13 55.245 . . . . . . . . 110 L CA . 27682 1 568 . 1 . 1 110 110 LEU CB C 13 43.573 . . . . . . . . 110 L CB . 27682 1 569 . 1 . 1 110 110 LEU CD1 C 13 24.388 . . . . . . . . 110 L CD1 . 27682 1 570 . 1 . 1 110 110 LEU CD2 C 13 24.377 . . . . . . . . 110 L CD2 . 27682 1 571 . 1 . 1 110 110 LEU N N 15 130.500 . . . . . . . . 110 L N . 27682 1 572 . 1 . 1 111 111 ARG H H 1 7.210 . . . . . . . . 111 R HN . 27682 1 573 . 1 . 1 111 111 ARG C C 13 173.791 . . . . . . . . 111 R C . 27682 1 574 . 1 . 1 111 111 ARG CA C 13 55.202 . . . . . . . . 111 R CA . 27682 1 575 . 1 . 1 111 111 ARG CB C 13 33.161 . . . . . . . . 111 R CB . 27682 1 576 . 1 . 1 111 111 ARG N N 15 117.125 . . . . . . . . 111 R N . 27682 1 577 . 1 . 1 112 112 GLY H H 1 8.469 . . . . . . . . 112 G HN . 27682 1 578 . 1 . 1 112 112 GLY C C 13 170.292 . . . . . . . . 112 G C . 27682 1 579 . 1 . 1 112 112 GLY CA C 13 43.451 . . . . . . . . 112 G CA . 27682 1 580 . 1 . 1 112 112 GLY N N 15 111.117 . . . . . . . . 112 G N . 27682 1 581 . 1 . 1 113 113 TYR H H 1 8.514 . . . . . . . . 113 Y HN . 27682 1 582 . 1 . 1 113 113 TYR C C 13 176.526 . . . . . . . . 113 Y C . 27682 1 583 . 1 . 1 113 113 TYR CA C 13 56.952 . . . . . . . . 113 Y CA . 27682 1 584 . 1 . 1 113 113 TYR CB C 13 40.947 . . . . . . . . 113 Y CB . 27682 1 585 . 1 . 1 113 113 TYR N N 15 118.883 . . . . . . . . 113 Y N . 27682 1 586 . 1 . 1 114 114 GLU H H 1 9.353 . . . . . . . . 114 E HN . 27682 1 587 . 1 . 1 114 114 GLU C C 13 174.362 . . . . . . . . 114 E C . 27682 1 588 . 1 . 1 114 114 GLU CA C 13 55.667 . . . . . . . . 114 E CA . 27682 1 589 . 1 . 1 114 114 GLU CB C 13 30.583 . . . . . . . . 114 E CB . 27682 1 590 . 1 . 1 114 114 GLU N N 15 120.449 . . . . . . . . 114 E N . 27682 1 591 . 1 . 1 115 115 GLN H H 1 9.326 . . . . . . . . 115 Q HN . 27682 1 592 . 1 . 1 115 115 GLN C C 13 174.297 . . . . . . . . 115 Q C . 27682 1 593 . 1 . 1 115 115 GLN CA C 13 55.504 . . . . . . . . 115 Q CA . 27682 1 594 . 1 . 1 115 115 GLN CB C 13 32.780 . . . . . . . . 115 Q CB . 27682 1 595 . 1 . 1 115 115 GLN N N 15 121.656 . . . . . . . . 115 Q N . 27682 1 596 . 1 . 1 116 116 PHE H H 1 9.487 . . . . . . . . 116 F HN . 27682 1 597 . 1 . 1 116 116 PHE C C 13 175.959 . . . . . . . . 116 F C . 27682 1 598 . 1 . 1 116 116 PHE CA C 13 56.925 . . . . . . . . 116 F CA . 27682 1 599 . 1 . 1 116 116 PHE CB C 13 43.065 . . . . . . . . 116 F CB . 27682 1 600 . 1 . 1 116 116 PHE N N 15 121.032 . . . . . . . . 116 F N . 27682 1 601 . 1 . 1 117 117 ALA H H 1 9.212 . . . . . . . . 117 A HN . 27682 1 602 . 1 . 1 117 117 ALA C C 13 175.215 . . . . . . . . 117 A C . 27682 1 603 . 1 . 1 117 117 ALA CA C 13 51.376 . . . . . . . . 117 A CA . 27682 1 604 . 1 . 1 117 117 ALA CB C 13 19.272 . . . . . . . . 117 A CB . 27682 1 605 . 1 . 1 117 117 ALA N N 15 126.921 . . . . . . . . 117 A N . 27682 1 606 . 1 . 1 118 118 TYR H H 1 8.700 . . . . . . . . 118 Y HN . 27682 1 607 . 1 . 1 118 118 TYR C C 13 175.034 . . . . . . . . 118 Y C . 27682 1 608 . 1 . 1 118 118 TYR CA C 13 54.694 . . . . . . . . 118 Y CA . 27682 1 609 . 1 . 1 118 118 TYR CB C 13 40.607 . . . . . . . . 118 Y CB . 27682 1 610 . 1 . 1 118 118 TYR N N 15 122.453 . . . . . . . . 118 Y N . 27682 1 611 . 1 . 1 119 119 ASP H H 1 9.663 . . . . . . . . 119 D HN . 27682 1 612 . 1 . 1 119 119 ASP CA C 13 55.213 . . . . . . . . 119 D CA . 27682 1 613 . 1 . 1 119 119 ASP CB C 13 38.212 . . . . . . . . 119 D CB . 27682 1 614 . 1 . 1 119 119 ASP N N 15 130.983 . . . . . . . . 119 D N . 27682 1 615 . 1 . 1 124 124 ILE HD11 H 1 0.019 . . . . . . . . 124 I QD1 . 27682 1 616 . 1 . 1 124 124 ILE HD12 H 1 0.019 . . . . . . . . 124 I QD1 . 27682 1 617 . 1 . 1 124 124 ILE HD13 H 1 0.019 . . . . . . . . 124 I QD1 . 27682 1 618 . 1 . 1 124 124 ILE C C 13 172.493 . . . . . . . . 124 I C . 27682 1 619 . 1 . 1 124 124 ILE CA C 13 59.636 . . . . . . . . 124 I CA . 27682 1 620 . 1 . 1 124 124 ILE CB C 13 41.801 . . . . . . . . 124 I CB . 27682 1 621 . 1 . 1 124 124 ILE CD1 C 13 12.914 . . . . . . . . 124 I CD1 . 27682 1 622 . 1 . 1 125 125 ALA H H 1 8.566 . . . . . . . . 125 A HN . 27682 1 623 . 1 . 1 125 125 ALA C C 13 175.818 . . . . . . . . 125 A C . 27682 1 624 . 1 . 1 125 125 ALA CA C 13 51.311 . . . . . . . . 125 A CA . 27682 1 625 . 1 . 1 125 125 ALA CB C 13 22.638 . . . . . . . . 125 A CB . 27682 1 626 . 1 . 1 125 125 ALA N N 15 127.321 . . . . . . . . 125 A N . 27682 1 627 . 1 . 1 126 126 LEU H H 1 9.037 . . . . . . . . 126 L HN . 27682 1 628 . 1 . 1 126 126 LEU HD11 H 1 -0.418 . . . . . . . . 126 L QD1 . 27682 1 629 . 1 . 1 126 126 LEU HD12 H 1 -0.418 . . . . . . . . 126 L QD1 . 27682 1 630 . 1 . 1 126 126 LEU HD13 H 1 -0.418 . . . . . . . . 126 L QD1 . 27682 1 631 . 1 . 1 126 126 LEU C C 13 176.468 . . . . . . . . 126 L C . 27682 1 632 . 1 . 1 126 126 LEU CA C 13 54.048 . . . . . . . . 126 L CA . 27682 1 633 . 1 . 1 126 126 LEU CB C 13 43.865 . . . . . . . . 126 L CB . 27682 1 634 . 1 . 1 126 126 LEU CD1 C 13 19.894 . . . . . . . . 126 L CD1 . 27682 1 635 . 1 . 1 126 126 LEU N N 15 126.654 . . . . . . . . 126 L N . 27682 1 636 . 1 . 1 127 127 ASN H H 1 8.958 . . . . . . . . 127 N HN . 27682 1 637 . 1 . 1 127 127 ASN C C 13 175.932 . . . . . . . . 127 N C . 27682 1 638 . 1 . 1 127 127 ASN CA C 13 52.929 . . . . . . . . 127 N CA . 27682 1 639 . 1 . 1 127 127 ASN CB C 13 37.555 . . . . . . . . 127 N CB . 27682 1 640 . 1 . 1 127 127 ASN N N 15 126.851 . . . . . . . . 127 N N . 27682 1 641 . 1 . 1 128 128 GLU H H 1 8.857 . . . . . . . . 128 E HN . 27682 1 642 . 1 . 1 128 128 GLU C C 13 176.023 . . . . . . . . 128 E C . 27682 1 643 . 1 . 1 128 128 GLU CA C 13 58.739 . . . . . . . . 128 E CA . 27682 1 644 . 1 . 1 128 128 GLU CB C 13 28.682 . . . . . . . . 128 E CB . 27682 1 645 . 1 . 1 128 128 GLU N N 15 120.129 . . . . . . . . 128 E N . 27682 1 646 . 1 . 1 129 129 ASP H H 1 7.413 . . . . . . . . 129 D HN . 27682 1 647 . 1 . 1 129 129 ASP C C 13 175.712 . . . . . . . . 129 D C . 27682 1 648 . 1 . 1 129 129 ASP CA C 13 54.132 . . . . . . . . 129 D CA . 27682 1 649 . 1 . 1 129 129 ASP CB C 13 39.264 . . . . . . . . 129 D CB . 27682 1 650 . 1 . 1 129 129 ASP N N 15 116.982 . . . . . . . . 129 D N . 27682 1 651 . 1 . 1 130 130 LEU H H 1 8.490 . . . . . . . . 130 L HN . 27682 1 652 . 1 . 1 130 130 LEU CA C 13 55.686 . . . . . . . . 130 L CA . 27682 1 653 . 1 . 1 130 130 LEU CB C 13 38.162 . . . . . . . . 130 L CB . 27682 1 654 . 1 . 1 130 130 LEU N N 15 115.986 . . . . . . . . 130 L N . 27682 1 655 . 1 . 1 131 131 LYS C C 13 175.213 . . . . . . . . 131 K C . 27682 1 656 . 1 . 1 132 132 THR H H 1 8.732 . . . . . . . . 132 T HN . 27682 1 657 . 1 . 1 132 132 THR C C 13 172.404 . . . . . . . . 132 T C . 27682 1 658 . 1 . 1 132 132 THR CA C 13 59.872 . . . . . . . . 132 T CA . 27682 1 659 . 1 . 1 132 132 THR CB C 13 71.801 . . . . . . . . 132 T CB . 27682 1 660 . 1 . 1 132 132 THR N N 15 114.202 . . . . . . . . 132 T N . 27682 1 661 . 1 . 1 133 133 TRP H H 1 8.799 . . . . . . . . 133 W HN . 27682 1 662 . 1 . 1 133 133 TRP C C 13 177.462 . . . . . . . . 133 W C . 27682 1 663 . 1 . 1 133 133 TRP CA C 13 55.742 . . . . . . . . 133 W CA . 27682 1 664 . 1 . 1 133 133 TRP CB C 13 32.544 . . . . . . . . 133 W CB . 27682 1 665 . 1 . 1 133 133 TRP N N 15 120.821 . . . . . . . . 133 W N . 27682 1 666 . 1 . 1 134 134 THR H H 1 9.761 . . . . . . . . 134 T HN . 27682 1 667 . 1 . 1 134 134 THR C C 13 173.691 . . . . . . . . 134 T C . 27682 1 668 . 1 . 1 134 134 THR CA C 13 62.805 . . . . . . . . 134 T CA . 27682 1 669 . 1 . 1 134 134 THR CB C 13 69.624 . . . . . . . . 134 T CB . 27682 1 670 . 1 . 1 134 134 THR N N 15 120.315 . . . . . . . . 134 T N . 27682 1 671 . 1 . 1 135 135 ALA H H 1 9.005 . . . . . . . . 135 A HN . 27682 1 672 . 1 . 1 135 135 ALA C C 13 176.498 . . . . . . . . 135 A C . 27682 1 673 . 1 . 1 135 135 ALA CA C 13 49.910 . . . . . . . . 135 A CA . 27682 1 674 . 1 . 1 135 135 ALA CB C 13 19.796 . . . . . . . . 135 A CB . 27682 1 675 . 1 . 1 135 135 ALA N N 15 132.864 . . . . . . . . 135 A N . 27682 1 676 . 1 . 1 136 136 ALA H H 1 8.279 . . . . . . . . 136 A HN . 27682 1 677 . 1 . 1 136 136 ALA C C 13 176.941 . . . . . . . . 136 A C . 27682 1 678 . 1 . 1 136 136 ALA CA C 13 54.364 . . . . . . . . 136 A CA . 27682 1 679 . 1 . 1 136 136 ALA CB C 13 19.931 . . . . . . . . 136 A CB . 27682 1 680 . 1 . 1 136 136 ALA N N 15 125.701 . . . . . . . . 136 A N . 27682 1 681 . 1 . 1 137 137 ASP H H 1 7.287 . . . . . . . . 137 D HN . 27682 1 682 . 1 . 1 137 137 ASP C C 13 176.027 . . . . . . . . 137 D C . 27682 1 683 . 1 . 1 137 137 ASP CA C 13 52.385 . . . . . . . . 137 D CA . 27682 1 684 . 1 . 1 137 137 ASP CB C 13 41.142 . . . . . . . . 137 D CB . 27682 1 685 . 1 . 1 137 137 ASP N N 15 115.479 . . . . . . . . 137 D N . 27682 1 686 . 1 . 1 138 138 MET H H 1 8.116 . . . . . . . . 138 M HN . 27682 1 687 . 1 . 1 138 138 MET C C 13 178.518 . . . . . . . . 138 M C . 27682 1 688 . 1 . 1 138 138 MET CA C 13 58.101 . . . . . . . . 138 M CA . 27682 1 689 . 1 . 1 138 138 MET CB C 13 31.228 . . . . . . . . 138 M CB . 27682 1 690 . 1 . 1 138 138 MET N N 15 116.552 . . . . . . . . 138 M N . 27682 1 691 . 1 . 1 139 139 ALA H H 1 7.810 . . . . . . . . 139 A HN . 27682 1 692 . 1 . 1 139 139 ALA C C 13 178.213 . . . . . . . . 139 A C . 27682 1 693 . 1 . 1 139 139 ALA CA C 13 54.396 . . . . . . . . 139 A CA . 27682 1 694 . 1 . 1 139 139 ALA CB C 13 17.003 . . . . . . . . 139 A CB . 27682 1 695 . 1 . 1 139 139 ALA N N 15 125.799 . . . . . . . . 139 A N . 27682 1 696 . 1 . 1 140 140 ALA H H 1 8.097 . . . . . . . . 140 A HN . 27682 1 697 . 1 . 1 140 140 ALA C C 13 179.878 . . . . . . . . 140 A C . 27682 1 698 . 1 . 1 140 140 ALA CA C 13 53.588 . . . . . . . . 140 A CA . 27682 1 699 . 1 . 1 140 140 ALA CB C 13 18.976 . . . . . . . . 140 A CB . 27682 1 700 . 1 . 1 140 140 ALA N N 15 118.585 . . . . . . . . 140 A N . 27682 1 701 . 1 . 1 141 141 GLN H H 1 7.522 . . . . . . . . 141 Q HN . 27682 1 702 . 1 . 1 141 141 GLN C C 13 178.817 . . . . . . . . 141 Q C . 27682 1 703 . 1 . 1 141 141 GLN CA C 13 58.024 . . . . . . . . 141 Q CA . 27682 1 704 . 1 . 1 141 141 GLN CB C 13 26.600 . . . . . . . . 141 Q CB . 27682 1 705 . 1 . 1 141 141 GLN N N 15 116.667 . . . . . . . . 141 Q N . 27682 1 706 . 1 . 1 142 142 ILE H H 1 7.598 . . . . . . . . 142 I HN . 27682 1 707 . 1 . 1 142 142 ILE HD11 H 1 0.197 . . . . . . . . 142 I QD1 . 27682 1 708 . 1 . 1 142 142 ILE HD12 H 1 0.197 . . . . . . . . 142 I QD1 . 27682 1 709 . 1 . 1 142 142 ILE HD13 H 1 0.197 . . . . . . . . 142 I QD1 . 27682 1 710 . 1 . 1 142 142 ILE C C 13 179.559 . . . . . . . . 142 I C . 27682 1 711 . 1 . 1 142 142 ILE CA C 13 64.972 . . . . . . . . 142 I CA . 27682 1 712 . 1 . 1 142 142 ILE CB C 13 36.407 . . . . . . . . 142 I CB . 27682 1 713 . 1 . 1 142 142 ILE CD1 C 13 12.038 . . . . . . . . 142 I CD1 . 27682 1 714 . 1 . 1 142 142 ILE N N 15 123.033 . . . . . . . . 142 I N . 27682 1 715 . 1 . 1 143 143 THR H H 1 6.651 . . . . . . . . 143 T HN . 27682 1 716 . 1 . 1 143 143 THR C C 13 174.291 . . . . . . . . 143 T C . 27682 1 717 . 1 . 1 143 143 THR CA C 13 66.176 . . . . . . . . 143 T CA . 27682 1 718 . 1 . 1 143 143 THR CB C 13 67.494 . . . . . . . . 143 T CB . 27682 1 719 . 1 . 1 143 143 THR N N 15 117.654 . . . . . . . . 143 T N . 27682 1 720 . 1 . 1 144 144 ARG H H 1 8.568 . . . . . . . . 144 R HN . 27682 1 721 . 1 . 1 144 144 ARG C C 13 176.932 . . . . . . . . 144 R C . 27682 1 722 . 1 . 1 144 144 ARG CA C 13 60.249 . . . . . . . . 144 R CA . 27682 1 723 . 1 . 1 144 144 ARG CB C 13 36.547 . . . . . . . . 144 R CB . 27682 1 724 . 1 . 1 144 144 ARG N N 15 120.828 . . . . . . . . 144 R N . 27682 1 725 . 1 . 1 145 145 ARG H H 1 7.669 . . . . . . . . 145 R HN . 27682 1 726 . 1 . 1 145 145 ARG CA C 13 59.332 . . . . . . . . 145 R CA . 27682 1 727 . 1 . 1 145 145 ARG CB C 13 29.111 . . . . . . . . 145 R CB . 27682 1 728 . 1 . 1 145 145 ARG N N 15 118.025 . . . . . . . . 145 R N . 27682 1 729 . 1 . 1 146 146 LYS C C 13 180.092 . . . . . . . . 146 K C . 27682 1 730 . 1 . 1 147 147 TRP H H 1 9.400 . . . . . . . . 147 W HN . 27682 1 731 . 1 . 1 147 147 TRP C C 13 181.500 . . . . . . . . 147 W C . 27682 1 732 . 1 . 1 147 147 TRP CA C 13 59.509 . . . . . . . . 147 W CA . 27682 1 733 . 1 . 1 147 147 TRP N N 15 123.047 . . . . . . . . 147 W N . 27682 1 734 . 1 . 1 148 148 GLU H H 1 9.241 . . . . . . . . 148 E HN . 27682 1 735 . 1 . 1 148 148 GLU C C 13 179.035 . . . . . . . . 148 E C . 27682 1 736 . 1 . 1 148 148 GLU CA C 13 59.779 . . . . . . . . 148 E CA . 27682 1 737 . 1 . 1 148 148 GLU CB C 13 28.950 . . . . . . . . 148 E CB . 27682 1 738 . 1 . 1 148 148 GLU N N 15 126.354 . . . . . . . . 148 E N . 27682 1 739 . 1 . 1 149 149 GLN H H 1 7.676 . . . . . . . . 149 Q HN . 27682 1 740 . 1 . 1 149 149 GLN C C 13 177.681 . . . . . . . . 149 Q C . 27682 1 741 . 1 . 1 149 149 GLN CA C 13 58.147 . . . . . . . . 149 Q CA . 27682 1 742 . 1 . 1 149 149 GLN CB C 13 28.142 . . . . . . . . 149 Q CB . 27682 1 743 . 1 . 1 149 149 GLN N N 15 119.404 . . . . . . . . 149 Q N . 27682 1 744 . 1 . 1 150 150 ALA H H 1 8.043 . . . . . . . . 150 A HN . 27682 1 745 . 1 . 1 150 150 ALA C C 13 177.682 . . . . . . . . 150 A C . 27682 1 746 . 1 . 1 150 150 ALA CA C 13 52.011 . . . . . . . . 150 A CA . 27682 1 747 . 1 . 1 150 150 ALA CB C 13 19.386 . . . . . . . . 150 A CB . 27682 1 748 . 1 . 1 150 150 ALA N N 15 118.409 . . . . . . . . 150 A N . 27682 1 749 . 1 . 1 151 151 GLY H H 1 7.568 . . . . . . . . 151 G HN . 27682 1 750 . 1 . 1 151 151 GLY C C 13 176.578 . . . . . . . . 151 G C . 27682 1 751 . 1 . 1 151 151 GLY CA C 13 46.409 . . . . . . . . 151 G CA . 27682 1 752 . 1 . 1 151 151 GLY N N 15 106.498 . . . . . . . . 151 G N . 27682 1 753 . 1 . 1 152 152 ALA H H 1 7.638 . . . . . . . . 152 A HN . 27682 1 754 . 1 . 1 152 152 ALA C C 13 178.319 . . . . . . . . 152 A C . 27682 1 755 . 1 . 1 152 152 ALA CA C 13 54.982 . . . . . . . . 152 A CA . 27682 1 756 . 1 . 1 152 152 ALA CB C 13 16.667 . . . . . . . . 152 A CB . 27682 1 757 . 1 . 1 152 152 ALA N N 15 122.299 . . . . . . . . 152 A N . 27682 1 758 . 1 . 1 153 153 ALA H H 1 9.522 . . . . . . . . 153 A HN . 27682 1 759 . 1 . 1 153 153 ALA C C 13 178.141 . . . . . . . . 153 A C . 27682 1 760 . 1 . 1 153 153 ALA CA C 13 56.144 . . . . . . . . 153 A CA . 27682 1 761 . 1 . 1 153 153 ALA CB C 13 16.946 . . . . . . . . 153 A CB . 27682 1 762 . 1 . 1 153 153 ALA N N 15 118.303 . . . . . . . . 153 A N . 27682 1 763 . 1 . 1 154 154 GLU H H 1 7.753 . . . . . . . . 154 E HN . 27682 1 764 . 1 . 1 154 154 GLU C C 13 179.302 . . . . . . . . 154 E C . 27682 1 765 . 1 . 1 154 154 GLU CA C 13 59.345 . . . . . . . . 154 E CA . 27682 1 766 . 1 . 1 154 154 GLU CB C 13 28.731 . . . . . . . . 154 E CB . 27682 1 767 . 1 . 1 154 154 GLU N N 15 116.649 . . . . . . . . 154 E N . 27682 1 768 . 1 . 1 155 155 TYR H H 1 7.342 . . . . . . . . 155 Y HN . 27682 1 769 . 1 . 1 155 155 TYR CA C 13 61.094 . . . . . . . . 155 Y CA . 27682 1 770 . 1 . 1 155 155 TYR CB C 13 37.325 . . . . . . . . 155 Y CB . 27682 1 771 . 1 . 1 155 155 TYR N N 15 121.969 . . . . . . . . 155 Y N . 27682 1 772 . 1 . 1 157 157 ARG C C 13 176.845 . . . . . . . . 157 R C . 27682 1 773 . 1 . 1 157 157 ARG CB C 13 29.089 . . . . . . . . 157 R CB . 27682 1 774 . 1 . 1 158 158 ALA H H 1 7.539 . . . . . . . . 158 A HN . 27682 1 775 . 1 . 1 158 158 ALA N N 15 119.047 . . . . . . . . 158 A N . 27682 1 776 . 1 . 1 159 159 TYR C C 13 176.769 . . . . . . . . 159 Y C . 27682 1 777 . 1 . 1 160 160 LEU H H 1 8.977 . . . . . . . . 160 L HN . 27682 1 778 . 1 . 1 160 160 LEU HG H 1 0.937 . . . . . . . . 160 L HG . 27682 1 779 . 1 . 1 160 160 LEU HD21 H 1 1.387 . . . . . . . . 160 L QD2 . 27682 1 780 . 1 . 1 160 160 LEU HD22 H 1 1.387 . . . . . . . . 160 L QD2 . 27682 1 781 . 1 . 1 160 160 LEU HD23 H 1 1.387 . . . . . . . . 160 L QD2 . 27682 1 782 . 1 . 1 160 160 LEU C C 13 176.406 . . . . . . . . 160 L C . 27682 1 783 . 1 . 1 160 160 LEU CA C 13 57.784 . . . . . . . . 160 L CA . 27682 1 784 . 1 . 1 160 160 LEU CB C 13 42.038 . . . . . . . . 160 L CB . 27682 1 785 . 1 . 1 160 160 LEU CG C 13 26.175 . . . . . . . . 160 L CG . 27682 1 786 . 1 . 1 160 160 LEU CD2 C 13 22.699 . . . . . . . . 160 L CD2 . 27682 1 787 . 1 . 1 160 160 LEU N N 15 121.937 . . . . . . . . 160 L N . 27682 1 788 . 1 . 1 161 161 GLU H H 1 8.336 . . . . . . . . 161 E HN . 27682 1 789 . 1 . 1 161 161 GLU C C 13 177.134 . . . . . . . . 161 E C . 27682 1 790 . 1 . 1 161 161 GLU CA C 13 56.794 . . . . . . . . 161 E CA . 27682 1 791 . 1 . 1 161 161 GLU CB C 13 30.238 . . . . . . . . 161 E CB . 27682 1 792 . 1 . 1 161 161 GLU N N 15 109.646 . . . . . . . . 161 E N . 27682 1 793 . 1 . 1 162 162 GLY H H 1 7.284 . . . . . . . . 162 G HN . 27682 1 794 . 1 . 1 162 162 GLY C C 13 173.295 . . . . . . . . 162 G C . 27682 1 795 . 1 . 1 162 162 GLY CA C 13 45.505 . . . . . . . . 162 G CA . 27682 1 796 . 1 . 1 162 162 GLY N N 15 109.072 . . . . . . . . 162 G N . 27682 1 797 . 1 . 1 163 163 GLU H H 1 8.742 . . . . . . . . 163 E HN . 27682 1 798 . 1 . 1 163 163 GLU C C 13 177.070 . . . . . . . . 163 E C . 27682 1 799 . 1 . 1 163 163 GLU CA C 13 60.355 . . . . . . . . 163 E CA . 27682 1 800 . 1 . 1 163 163 GLU CB C 13 30.932 . . . . . . . . 163 E CB . 27682 1 801 . 1 . 1 163 163 GLU N N 15 130.036 . . . . . . . . 163 E N . 27682 1 802 . 1 . 1 164 164 CYS H H 1 8.740 . . . . . . . . 164 c HN . 27682 1 803 . 1 . 1 164 164 CYS C C 13 175.199 . . . . . . . . 164 c C . 27682 1 804 . 1 . 1 164 164 CYS CA C 13 61.112 . . . . . . . . 164 c CA . 27682 1 805 . 1 . 1 164 164 CYS CB C 13 41.181 . . . . . . . . 164 c CB . 27682 1 806 . 1 . 1 164 164 CYS N N 15 117.846 . . . . . . . . 164 c N . 27682 1 807 . 1 . 1 165 165 VAL H H 1 6.191 . . . . . . . . 165 V HN . 27682 1 808 . 1 . 1 165 165 VAL HG11 H 1 0.980 . . . . . . . . 165 V QG1 . 27682 1 809 . 1 . 1 165 165 VAL HG12 H 1 0.980 . . . . . . . . 165 V QG1 . 27682 1 810 . 1 . 1 165 165 VAL HG13 H 1 0.980 . . . . . . . . 165 V QG1 . 27682 1 811 . 1 . 1 165 165 VAL HG21 H 1 1.122 . . . . . . . . 165 V QG2 . 27682 1 812 . 1 . 1 165 165 VAL HG22 H 1 1.122 . . . . . . . . 165 V QG2 . 27682 1 813 . 1 . 1 165 165 VAL HG23 H 1 1.122 . . . . . . . . 165 V QG2 . 27682 1 814 . 1 . 1 165 165 VAL C C 13 177.942 . . . . . . . . 165 V C . 27682 1 815 . 1 . 1 165 165 VAL CA C 13 65.525 . . . . . . . . 165 V CA . 27682 1 816 . 1 . 1 165 165 VAL CB C 13 31.791 . . . . . . . . 165 V CB . 27682 1 817 . 1 . 1 165 165 VAL CG1 C 13 22.331 . . . . . . . . 165 V CG1 . 27682 1 818 . 1 . 1 165 165 VAL CG2 C 13 22.929 . . . . . . . . 165 V CG2 . 27682 1 819 . 1 . 1 165 165 VAL N N 15 116.466 . . . . . . . . 165 V N . 27682 1 820 . 1 . 1 166 166 GLU H H 1 8.216 . . . . . . . . 166 E HN . 27682 1 821 . 1 . 1 166 166 GLU C C 13 180.543 . . . . . . . . 166 E C . 27682 1 822 . 1 . 1 166 166 GLU CA C 13 58.963 . . . . . . . . 166 E CA . 27682 1 823 . 1 . 1 166 166 GLU CB C 13 29.177 . . . . . . . . 166 E CB . 27682 1 824 . 1 . 1 166 166 GLU N N 15 120.565 . . . . . . . . 166 E N . 27682 1 825 . 1 . 1 167 167 TRP H H 1 8.874 . . . . . . . . 167 W HN . 27682 1 826 . 1 . 1 167 167 TRP C C 13 176.362 . . . . . . . . 167 W C . 27682 1 827 . 1 . 1 167 167 TRP CA C 13 61.217 . . . . . . . . 167 W CA . 27682 1 828 . 1 . 1 167 167 TRP CB C 13 26.475 . . . . . . . . 167 W CB . 27682 1 829 . 1 . 1 167 167 TRP N N 15 120.474 . . . . . . . . 167 W N . 27682 1 830 . 1 . 1 168 168 LEU H H 1 7.851 . . . . . . . . 168 L HN . 27682 1 831 . 1 . 1 168 168 LEU HD11 H 1 0.964 . . . . . . . . 168 L QD1 . 27682 1 832 . 1 . 1 168 168 LEU HD12 H 1 0.964 . . . . . . . . 168 L QD1 . 27682 1 833 . 1 . 1 168 168 LEU HD13 H 1 0.964 . . . . . . . . 168 L QD1 . 27682 1 834 . 1 . 1 168 168 LEU HD21 H 1 0.784 . . . . . . . . 168 L QD2 . 27682 1 835 . 1 . 1 168 168 LEU HD22 H 1 0.784 . . . . . . . . 168 L QD2 . 27682 1 836 . 1 . 1 168 168 LEU HD23 H 1 0.784 . . . . . . . . 168 L QD2 . 27682 1 837 . 1 . 1 168 168 LEU C C 13 178.324 . . . . . . . . 168 L C . 27682 1 838 . 1 . 1 168 168 LEU CA C 13 58.954 . . . . . . . . 168 L CA . 27682 1 839 . 1 . 1 168 168 LEU CB C 13 39.894 . . . . . . . . 168 L CB . 27682 1 840 . 1 . 1 168 168 LEU CD1 C 13 23.916 . . . . . . . . 168 L CD1 . 27682 1 841 . 1 . 1 168 168 LEU CD2 C 13 26.844 . . . . . . . . 168 L CD2 . 27682 1 842 . 1 . 1 168 168 LEU N N 15 120.741 . . . . . . . . 168 L N . 27682 1 843 . 1 . 1 169 169 HIS H H 1 7.788 . . . . . . . . 169 H HN . 27682 1 844 . 1 . 1 169 169 HIS C C 13 178.042 . . . . . . . . 169 H C . 27682 1 845 . 1 . 1 169 169 HIS CA C 13 60.093 . . . . . . . . 169 H CA . 27682 1 846 . 1 . 1 169 169 HIS CB C 13 28.601 . . . . . . . . 169 H CB . 27682 1 847 . 1 . 1 169 169 HIS N N 15 115.137 . . . . . . . . 169 H N . 27682 1 848 . 1 . 1 170 170 ARG H H 1 7.289 . . . . . . . . 170 R HN . 27682 1 849 . 1 . 1 170 170 ARG C C 13 178.308 . . . . . . . . 170 R C . 27682 1 850 . 1 . 1 170 170 ARG CA C 13 59.064 . . . . . . . . 170 R CA . 27682 1 851 . 1 . 1 170 170 ARG CB C 13 28.616 . . . . . . . . 170 R CB . 27682 1 852 . 1 . 1 170 170 ARG N N 15 122.539 . . . . . . . . 170 R N . 27682 1 853 . 1 . 1 171 171 TYR H H 1 8.570 . . . . . . . . 171 Y HN . 27682 1 854 . 1 . 1 171 171 TYR C C 13 178.679 . . . . . . . . 171 Y C . 27682 1 855 . 1 . 1 171 171 TYR CA C 13 58.155 . . . . . . . . 171 Y CA . 27682 1 856 . 1 . 1 171 171 TYR N N 15 120.944 . . . . . . . . 171 Y N . 27682 1 857 . 1 . 1 172 172 LEU H H 1 8.450 . . . . . . . . 172 L HN . 27682 1 858 . 1 . 1 172 172 LEU HD11 H 1 0.212 . . . . . . . . 172 L QD1 . 27682 1 859 . 1 . 1 172 172 LEU HD12 H 1 0.212 . . . . . . . . 172 L QD1 . 27682 1 860 . 1 . 1 172 172 LEU HD13 H 1 0.212 . . . . . . . . 172 L QD1 . 27682 1 861 . 1 . 1 172 172 LEU HD21 H 1 0.154 . . . . . . . . 172 L QD2 . 27682 1 862 . 1 . 1 172 172 LEU HD22 H 1 0.154 . . . . . . . . 172 L QD2 . 27682 1 863 . 1 . 1 172 172 LEU HD23 H 1 0.154 . . . . . . . . 172 L QD2 . 27682 1 864 . 1 . 1 172 172 LEU C C 13 179.495 . . . . . . . . 172 L C . 27682 1 865 . 1 . 1 172 172 LEU CA C 13 57.082 . . . . . . . . 172 L CA . 27682 1 866 . 1 . 1 172 172 LEU CB C 13 40.553 . . . . . . . . 172 L CB . 27682 1 867 . 1 . 1 172 172 LEU CD1 C 13 22.056 . . . . . . . . 172 L CD1 . 27682 1 868 . 1 . 1 172 172 LEU CD2 C 13 24.754 . . . . . . . . 172 L CD2 . 27682 1 869 . 1 . 1 172 172 LEU N N 15 118.480 . . . . . . . . 172 L N . 27682 1 870 . 1 . 1 173 173 LYS H H 1 7.396 . . . . . . . . 173 K HN . 27682 1 871 . 1 . 1 173 173 LYS C C 13 179.369 . . . . . . . . 173 K C . 27682 1 872 . 1 . 1 173 173 LYS CA C 13 58.715 . . . . . . . . 173 K CA . 27682 1 873 . 1 . 1 173 173 LYS CB C 13 30.986 . . . . . . . . 173 K CB . 27682 1 874 . 1 . 1 173 173 LYS N N 15 119.753 . . . . . . . . 173 K N . 27682 1 875 . 1 . 1 174 174 ASN H H 1 8.205 . . . . . . . . 174 N HN . 27682 1 876 . 1 . 1 174 174 ASN C C 13 177.541 . . . . . . . . 174 N C . 27682 1 877 . 1 . 1 174 174 ASN CA C 13 54.717 . . . . . . . . 174 N CA . 27682 1 878 . 1 . 1 174 174 ASN CB C 13 37.138 . . . . . . . . 174 N CB . 27682 1 879 . 1 . 1 174 174 ASN N N 15 119.552 . . . . . . . . 174 N N . 27682 1 880 . 1 . 1 175 175 GLY H H 1 8.344 . . . . . . . . 175 G HN . 27682 1 881 . 1 . 1 175 175 GLY C C 13 172.650 . . . . . . . . 175 G C . 27682 1 882 . 1 . 1 175 175 GLY CA C 13 44.076 . . . . . . . . 175 G CA . 27682 1 883 . 1 . 1 175 175 GLY N N 15 108.651 . . . . . . . . 175 G N . 27682 1 884 . 1 . 1 176 176 ASN H H 1 7.398 . . . . . . . . 176 N HN . 27682 1 885 . 1 . 1 176 176 ASN CA C 13 51.449 . . . . . . . . 176 N CA . 27682 1 886 . 1 . 1 176 176 ASN CB C 13 40.567 . . . . . . . . 176 N CB . 27682 1 887 . 1 . 1 176 176 ASN N N 15 118.582 . . . . . . . . 176 N N . 27682 1 888 . 1 . 1 177 177 ALA C C 13 179.312 . . . . . . . . 177 A C . 27682 1 889 . 1 . 1 178 178 THR H H 1 7.642 . . . . . . . . 178 T HN . 27682 1 890 . 1 . 1 178 178 THR C C 13 176.116 . . . . . . . . 178 T C . 27682 1 891 . 1 . 1 178 178 THR CA C 13 63.853 . . . . . . . . 178 T CA . 27682 1 892 . 1 . 1 178 178 THR CB C 13 68.800 . . . . . . . . 178 T CB . 27682 1 893 . 1 . 1 178 178 THR N N 15 111.211 . . . . . . . . 178 T N . 27682 1 894 . 1 . 1 179 179 LEU H H 1 7.978 . . . . . . . . 179 L HN . 27682 1 895 . 1 . 1 179 179 LEU HD11 H 1 0.841 . . . . . . . . 179 L QD1 . 27682 1 896 . 1 . 1 179 179 LEU HD12 H 1 0.841 . . . . . . . . 179 L QD1 . 27682 1 897 . 1 . 1 179 179 LEU HD13 H 1 0.841 . . . . . . . . 179 L QD1 . 27682 1 898 . 1 . 1 179 179 LEU HD21 H 1 0.441 . . . . . . . . 179 L QD2 . 27682 1 899 . 1 . 1 179 179 LEU HD22 H 1 0.441 . . . . . . . . 179 L QD2 . 27682 1 900 . 1 . 1 179 179 LEU HD23 H 1 0.441 . . . . . . . . 179 L QD2 . 27682 1 901 . 1 . 1 179 179 LEU C C 13 178.074 . . . . . . . . 179 L C . 27682 1 902 . 1 . 1 179 179 LEU CA C 13 56.506 . . . . . . . . 179 L CA . 27682 1 903 . 1 . 1 179 179 LEU CB C 13 41.835 . . . . . . . . 179 L CB . 27682 1 904 . 1 . 1 179 179 LEU CD1 C 13 23.269 . . . . . . . . 179 L CD1 . 27682 1 905 . 1 . 1 179 179 LEU CD2 C 13 25.605 . . . . . . . . 179 L CD2 . 27682 1 906 . 1 . 1 179 179 LEU N N 15 122.794 . . . . . . . . 179 L N . 27682 1 907 . 1 . 1 180 180 LEU H H 1 7.693 . . . . . . . . 180 L HN . 27682 1 908 . 1 . 1 180 180 LEU HD11 H 1 0.836 . . . . . . . . 180 L QD1 . 27682 1 909 . 1 . 1 180 180 LEU HD12 H 1 0.836 . . . . . . . . 180 L QD1 . 27682 1 910 . 1 . 1 180 180 LEU HD13 H 1 0.836 . . . . . . . . 180 L QD1 . 27682 1 911 . 1 . 1 180 180 LEU HD21 H 1 0.842 . . . . . . . . 180 L QD2 . 27682 1 912 . 1 . 1 180 180 LEU HD22 H 1 0.842 . . . . . . . . 180 L QD2 . 27682 1 913 . 1 . 1 180 180 LEU HD23 H 1 0.842 . . . . . . . . 180 L QD2 . 27682 1 914 . 1 . 1 180 180 LEU C C 13 176.425 . . . . . . . . 180 L C . 27682 1 915 . 1 . 1 180 180 LEU CA C 13 54.220 . . . . . . . . 180 L CA . 27682 1 916 . 1 . 1 180 180 LEU CB C 13 40.000 . . . . . . . . 180 L CB . 27682 1 917 . 1 . 1 180 180 LEU CD1 C 13 23.116 . . . . . . . . 180 L CD1 . 27682 1 918 . 1 . 1 180 180 LEU CD2 C 13 24.978 . . . . . . . . 180 L CD2 . 27682 1 919 . 1 . 1 180 180 LEU N N 15 119.180 . . . . . . . . 180 L N . 27682 1 920 . 1 . 1 181 181 ARG H H 1 7.135 . . . . . . . . 181 R HN . 27682 1 921 . 1 . 1 181 181 ARG C C 13 175.536 . . . . . . . . 181 R C . 27682 1 922 . 1 . 1 181 181 ARG CA C 13 56.263 . . . . . . . . 181 R CA . 27682 1 923 . 1 . 1 181 181 ARG CB C 13 30.278 . . . . . . . . 181 R CB . 27682 1 924 . 1 . 1 181 181 ARG N N 15 121.788 . . . . . . . . 181 R N . 27682 1 925 . 1 . 1 182 182 THR H H 1 8.337 . . . . . . . . 182 T HN . 27682 1 926 . 1 . 1 182 182 THR C C 13 173.262 . . . . . . . . 182 T C . 27682 1 927 . 1 . 1 182 182 THR CA C 13 60.716 . . . . . . . . 182 T CA . 27682 1 928 . 1 . 1 182 182 THR CB C 13 71.052 . . . . . . . . 182 T CB . 27682 1 929 . 1 . 1 182 182 THR N N 15 117.508 . . . . . . . . 182 T N . 27682 1 930 . 1 . 1 183 183 ASP H H 1 9.671 . . . . . . . . 183 D HN . 27682 1 931 . 1 . 1 183 183 ASP C C 13 175.270 . . . . . . . . 183 D C . 27682 1 932 . 1 . 1 183 183 ASP CB C 13 43.188 . . . . . . . . 183 D CB . 27682 1 933 . 1 . 1 183 183 ASP N N 15 125.773 . . . . . . . . 183 D N . 27682 1 934 . 1 . 1 184 184 SER H H 1 8.793 . . . . . . . . 184 S HN . 27682 1 935 . 1 . 1 184 184 SER CA C 13 56.763 . . . . . . . . 184 S CA . 27682 1 936 . 1 . 1 184 184 SER CB C 13 61.768 . . . . . . . . 184 S CB . 27682 1 937 . 1 . 1 184 184 SER N N 15 120.092 . . . . . . . . 184 S N . 27682 1 938 . 1 . 1 185 185 PRO C C 13 175.783 . . . . . . . . 185 P C . 27682 1 939 . 1 . 1 186 186 LYS H H 1 9.096 . . . . . . . . 186 K HN . 27682 1 940 . 1 . 1 186 186 LYS C C 13 176.562 . . . . . . . . 186 K C . 27682 1 941 . 1 . 1 186 186 LYS CA C 13 55.633 . . . . . . . . 186 K CA . 27682 1 942 . 1 . 1 186 186 LYS CB C 13 31.324 . . . . . . . . 186 K CB . 27682 1 943 . 1 . 1 186 186 LYS N N 15 123.498 . . . . . . . . 186 K N . 27682 1 944 . 1 . 1 187 187 ALA H H 1 8.923 . . . . . . . . 187 A HN . 27682 1 945 . 1 . 1 187 187 ALA C C 13 176.262 . . . . . . . . 187 A C . 27682 1 946 . 1 . 1 187 187 ALA CA C 13 50.559 . . . . . . . . 187 A CA . 27682 1 947 . 1 . 1 187 187 ALA CB C 13 24.053 . . . . . . . . 187 A CB . 27682 1 948 . 1 . 1 187 187 ALA N N 15 130.587 . . . . . . . . 187 A N . 27682 1 949 . 1 . 1 188 188 HIS H H 1 8.448 . . . . . . . . 188 H HN . 27682 1 950 . 1 . 1 188 188 HIS C C 13 172.074 . . . . . . . . 188 H C . 27682 1 951 . 1 . 1 188 188 HIS CA C 13 55.984 . . . . . . . . 188 H CA . 27682 1 952 . 1 . 1 188 188 HIS CB C 13 31.675 . . . . . . . . 188 H CB . 27682 1 953 . 1 . 1 188 188 HIS N N 15 116.555 . . . . . . . . 188 H N . 27682 1 954 . 1 . 1 189 189 VAL H H 1 8.824 . . . . . . . . 189 V HN . 27682 1 955 . 1 . 1 189 189 VAL HG11 H 1 1.415 . . . . . . . . 189 V QG1 . 27682 1 956 . 1 . 1 189 189 VAL HG12 H 1 1.415 . . . . . . . . 189 V QG1 . 27682 1 957 . 1 . 1 189 189 VAL HG13 H 1 1.415 . . . . . . . . 189 V QG1 . 27682 1 958 . 1 . 1 189 189 VAL HG21 H 1 1.018 . . . . . . . . 189 V QG2 . 27682 1 959 . 1 . 1 189 189 VAL HG22 H 1 1.018 . . . . . . . . 189 V QG2 . 27682 1 960 . 1 . 1 189 189 VAL HG23 H 1 1.018 . . . . . . . . 189 V QG2 . 27682 1 961 . 1 . 1 189 189 VAL C C 13 176.616 . . . . . . . . 189 V C . 27682 1 962 . 1 . 1 189 189 VAL CA C 13 60.458 . . . . . . . . 189 V CA . 27682 1 963 . 1 . 1 189 189 VAL CB C 13 34.307 . . . . . . . . 189 V CB . 27682 1 964 . 1 . 1 189 189 VAL CG1 C 13 23.358 . . . . . . . . 189 V CG1 . 27682 1 965 . 1 . 1 189 189 VAL CG2 C 13 22.980 . . . . . . . . 189 V CG2 . 27682 1 966 . 1 . 1 189 189 VAL N N 15 121.703 . . . . . . . . 189 V N . 27682 1 967 . 1 . 1 190 190 THR H H 1 9.878 . . . . . . . . 190 T HN . 27682 1 968 . 1 . 1 190 190 THR C C 13 172.181 . . . . . . . . 190 T C . 27682 1 969 . 1 . 1 190 190 THR CA C 13 60.617 . . . . . . . . 190 T CA . 27682 1 970 . 1 . 1 190 190 THR CB C 13 69.405 . . . . . . . . 190 T CB . 27682 1 971 . 1 . 1 190 190 THR N N 15 119.858 . . . . . . . . 190 T N . 27682 1 972 . 1 . 1 191 191 HIS H H 1 7.875 . . . . . . . . 191 H HN . 27682 1 973 . 1 . 1 191 191 HIS C C 13 177.203 . . . . . . . . 191 H C . 27682 1 974 . 1 . 1 191 191 HIS CA C 13 54.907 . . . . . . . . 191 H CA . 27682 1 975 . 1 . 1 191 191 HIS CB C 13 32.425 . . . . . . . . 191 H CB . 27682 1 976 . 1 . 1 191 191 HIS N N 15 122.620 . . . . . . . . 191 H N . 27682 1 977 . 1 . 1 192 192 HIS H H 1 8.337 . . . . . . . . 192 H HN . 27682 1 978 . 1 . 1 192 192 HIS CA C 13 56.002 . . . . . . . . 192 H CA . 27682 1 979 . 1 . 1 192 192 HIS CB C 13 29.781 . . . . . . . . 192 H CB . 27682 1 980 . 1 . 1 192 192 HIS N N 15 122.679 . . . . . . . . 192 H N . 27682 1 981 . 1 . 1 193 193 PRO C C 13 176.054 . . . . . . . . 193 P C . 27682 1 982 . 1 . 1 194 194 ARG H H 1 8.412 . . . . . . . . 194 R HN . 27682 1 983 . 1 . 1 194 194 ARG C C 13 174.875 . . . . . . . . 194 R C . 27682 1 984 . 1 . 1 194 194 ARG CA C 13 56.018 . . . . . . . . 194 R CA . 27682 1 985 . 1 . 1 194 194 ARG CB C 13 31.693 . . . . . . . . 194 R CB . 27682 1 986 . 1 . 1 194 194 ARG N N 15 125.271 . . . . . . . . 194 R N . 27682 1 987 . 1 . 1 195 195 SER H H 1 8.114 . . . . . . . . 195 S HN . 27682 1 988 . 1 . 1 195 195 SER C C 13 174.050 . . . . . . . . 195 S C . 27682 1 989 . 1 . 1 195 195 SER CA C 13 57.464 . . . . . . . . 195 S CA . 27682 1 990 . 1 . 1 195 195 SER CB C 13 63.570 . . . . . . . . 195 S CB . 27682 1 991 . 1 . 1 195 195 SER N N 15 115.183 . . . . . . . . 195 S N . 27682 1 992 . 1 . 1 196 196 LYS H H 1 8.582 . . . . . . . . 196 K HN . 27682 1 993 . 1 . 1 196 196 LYS C C 13 177.421 . . . . . . . . 196 K C . 27682 1 994 . 1 . 1 196 196 LYS CA C 13 58.012 . . . . . . . . 196 K CA . 27682 1 995 . 1 . 1 196 196 LYS CB C 13 30.669 . . . . . . . . 196 K CB . 27682 1 996 . 1 . 1 196 196 LYS N N 15 118.709 . . . . . . . . 196 K N . 27682 1 997 . 1 . 1 197 197 GLY H H 1 8.514 . . . . . . . . 197 G HN . 27682 1 998 . 1 . 1 197 197 GLY C C 13 174.778 . . . . . . . . 197 G C . 27682 1 999 . 1 . 1 197 197 GLY CA C 13 45.377 . . . . . . . . 197 G CA . 27682 1 1000 . 1 . 1 197 197 GLY N N 15 106.940 . . . . . . . . 197 G N . 27682 1 1001 . 1 . 1 198 198 GLU H H 1 7.595 . . . . . . . . 198 E HN . 27682 1 1002 . 1 . 1 198 198 GLU C C 13 174.769 . . . . . . . . 198 E C . 27682 1 1003 . 1 . 1 198 198 GLU CA C 13 54.878 . . . . . . . . 198 E CA . 27682 1 1004 . 1 . 1 198 198 GLU CB C 13 33.692 . . . . . . . . 198 E CB . 27682 1 1005 . 1 . 1 198 198 GLU N N 15 121.060 . . . . . . . . 198 E N . 27682 1 1006 . 1 . 1 199 199 VAL H H 1 9.151 . . . . . . . . 199 V HN . 27682 1 1007 . 1 . 1 199 199 VAL HG11 H 1 0.236 . . . . . . . . 199 V QG1 . 27682 1 1008 . 1 . 1 199 199 VAL HG12 H 1 0.236 . . . . . . . . 199 V QG1 . 27682 1 1009 . 1 . 1 199 199 VAL HG13 H 1 0.236 . . . . . . . . 199 V QG1 . 27682 1 1010 . 1 . 1 199 199 VAL HG21 H 1 0.206 . . . . . . . . 199 V QG2 . 27682 1 1011 . 1 . 1 199 199 VAL HG22 H 1 0.206 . . . . . . . . 199 V QG2 . 27682 1 1012 . 1 . 1 199 199 VAL HG23 H 1 0.206 . . . . . . . . 199 V QG2 . 27682 1 1013 . 1 . 1 199 199 VAL C C 13 172.977 . . . . . . . . 199 V C . 27682 1 1014 . 1 . 1 199 199 VAL CA C 13 59.395 . . . . . . . . 199 V CA . 27682 1 1015 . 1 . 1 199 199 VAL CB C 13 34.400 . . . . . . . . 199 V CB . 27682 1 1016 . 1 . 1 199 199 VAL CG1 C 13 20.265 . . . . . . . . 199 V CG1 . 27682 1 1017 . 1 . 1 199 199 VAL CG2 C 13 19.727 . . . . . . . . 199 V CG2 . 27682 1 1018 . 1 . 1 199 199 VAL N N 15 119.838 . . . . . . . . 199 V N . 27682 1 1019 . 1 . 1 200 200 THR H H 1 8.571 . . . . . . . . 200 T HN . 27682 1 1020 . 1 . 1 200 200 THR C C 13 174.214 . . . . . . . . 200 T C . 27682 1 1021 . 1 . 1 200 200 THR CA C 13 61.618 . . . . . . . . 200 T CA . 27682 1 1022 . 1 . 1 200 200 THR CB C 13 68.887 . . . . . . . . 200 T CB . 27682 1 1023 . 1 . 1 200 200 THR N N 15 122.370 . . . . . . . . 200 T N . 27682 1 1024 . 1 . 1 201 201 LEU H H 1 8.680 . . . . . . . . 201 L HN . 27682 1 1025 . 1 . 1 201 201 LEU HD11 H 1 0.570 . . . . . . . . 201 L QD1 . 27682 1 1026 . 1 . 1 201 201 LEU HD12 H 1 0.570 . . . . . . . . 201 L QD1 . 27682 1 1027 . 1 . 1 201 201 LEU HD13 H 1 0.570 . . . . . . . . 201 L QD1 . 27682 1 1028 . 1 . 1 201 201 LEU HD21 H 1 0.451 . . . . . . . . 201 L QD2 . 27682 1 1029 . 1 . 1 201 201 LEU HD22 H 1 0.451 . . . . . . . . 201 L QD2 . 27682 1 1030 . 1 . 1 201 201 LEU HD23 H 1 0.451 . . . . . . . . 201 L QD2 . 27682 1 1031 . 1 . 1 201 201 LEU C C 13 175.153 . . . . . . . . 201 L C . 27682 1 1032 . 1 . 1 201 201 LEU CA C 13 52.236 . . . . . . . . 201 L CA . 27682 1 1033 . 1 . 1 201 201 LEU CB C 13 42.681 . . . . . . . . 201 L CB . 27682 1 1034 . 1 . 1 201 201 LEU CD1 C 13 26.627 . . . . . . . . 201 L CD1 . 27682 1 1035 . 1 . 1 201 201 LEU CD2 C 13 23.694 . . . . . . . . 201 L CD2 . 27682 1 1036 . 1 . 1 201 201 LEU N N 15 127.172 . . . . . . . . 201 L N . 27682 1 1037 . 1 . 1 202 202 ARG H H 1 8.876 . . . . . . . . 202 R HN . 27682 1 1038 . 1 . 1 202 202 ARG C C 13 172.555 . . . . . . . . 202 R C . 27682 1 1039 . 1 . 1 202 202 ARG CA C 13 55.098 . . . . . . . . 202 R CA . 27682 1 1040 . 1 . 1 202 202 ARG CB C 13 31.564 . . . . . . . . 202 R CB . 27682 1 1041 . 1 . 1 202 202 ARG N N 15 124.654 . . . . . . . . 202 R N . 27682 1 1042 . 1 . 1 203 203 CYS H H 1 9.727 . . . . . . . . 203 c HN . 27682 1 1043 . 1 . 1 203 203 CYS C C 13 172.030 . . . . . . . . 203 c C . 27682 1 1044 . 1 . 1 203 203 CYS CA C 13 55.085 . . . . . . . . 203 c CA . 27682 1 1045 . 1 . 1 203 203 CYS CB C 13 40.541 . . . . . . . . 203 c CB . 27682 1 1046 . 1 . 1 203 203 CYS N N 15 129.404 . . . . . . . . 203 c N . 27682 1 1047 . 1 . 1 204 204 TRP H H 1 9.327 . . . . . . . . 204 W HN . 27682 1 1048 . 1 . 1 204 204 TRP C C 13 174.755 . . . . . . . . 204 W C . 27682 1 1049 . 1 . 1 204 204 TRP CA C 13 56.720 . . . . . . . . 204 W CA . 27682 1 1050 . 1 . 1 204 204 TRP CB C 13 31.110 . . . . . . . . 204 W CB . 27682 1 1051 . 1 . 1 204 204 TRP N N 15 127.520 . . . . . . . . 204 W N . 27682 1 1052 . 1 . 1 205 205 ALA H H 1 9.112 . . . . . . . . 205 A HN . 27682 1 1053 . 1 . 1 205 205 ALA C C 13 175.271 . . . . . . . . 205 A C . 27682 1 1054 . 1 . 1 205 205 ALA CA C 13 50.738 . . . . . . . . 205 A CA . 27682 1 1055 . 1 . 1 205 205 ALA CB C 13 21.923 . . . . . . . . 205 A CB . 27682 1 1056 . 1 . 1 205 205 ALA N N 15 120.764 . . . . . . . . 205 A N . 27682 1 1057 . 1 . 1 206 206 LEU H H 1 9.022 . . . . . . . . 206 L HN . 27682 1 1058 . 1 . 1 206 206 LEU HD11 H 1 1.275 . . . . . . . . 206 L QD1 . 27682 1 1059 . 1 . 1 206 206 LEU HD12 H 1 1.275 . . . . . . . . 206 L QD1 . 27682 1 1060 . 1 . 1 206 206 LEU HD13 H 1 1.275 . . . . . . . . 206 L QD1 . 27682 1 1061 . 1 . 1 206 206 LEU HD21 H 1 1.069 . . . . . . . . 206 L QD2 . 27682 1 1062 . 1 . 1 206 206 LEU HD22 H 1 1.069 . . . . . . . . 206 L QD2 . 27682 1 1063 . 1 . 1 206 206 LEU HD23 H 1 1.069 . . . . . . . . 206 L QD2 . 27682 1 1064 . 1 . 1 206 206 LEU C C 13 177.753 . . . . . . . . 206 L C . 27682 1 1065 . 1 . 1 206 206 LEU CA C 13 53.672 . . . . . . . . 206 L CA . 27682 1 1066 . 1 . 1 206 206 LEU CB C 13 45.302 . . . . . . . . 206 L CB . 27682 1 1067 . 1 . 1 206 206 LEU CD1 C 13 24.097 . . . . . . . . 206 L CD1 . 27682 1 1068 . 1 . 1 206 206 LEU CD2 C 13 25.792 . . . . . . . . 206 L CD2 . 27682 1 1069 . 1 . 1 206 206 LEU N N 15 121.943 . . . . . . . . 206 L N . 27682 1 1070 . 1 . 1 207 207 GLY H H 1 8.625 . . . . . . . . 207 G HN . 27682 1 1071 . 1 . 1 207 207 GLY C C 13 173.979 . . . . . . . . 207 G C . 27682 1 1072 . 1 . 1 207 207 GLY CA C 13 46.533 . . . . . . . . 207 G CA . 27682 1 1073 . 1 . 1 207 207 GLY N N 15 110.455 . . . . . . . . 207 G N . 27682 1 1074 . 1 . 1 208 208 PHE H H 1 7.376 . . . . . . . . 208 F HN . 27682 1 1075 . 1 . 1 208 208 PHE C C 13 174.803 . . . . . . . . 208 F C . 27682 1 1076 . 1 . 1 208 208 PHE CA C 13 53.791 . . . . . . . . 208 F CA . 27682 1 1077 . 1 . 1 208 208 PHE CB C 13 41.185 . . . . . . . . 208 F CB . 27682 1 1078 . 1 . 1 208 208 PHE N N 15 112.003 . . . . . . . . 208 F N . 27682 1 1079 . 1 . 1 209 209 TYR H H 1 9.175 . . . . . . . . 209 Y HN . 27682 1 1080 . 1 . 1 209 209 TYR CA C 13 58.740 . . . . . . . . 209 Y CA . 27682 1 1081 . 1 . 1 209 209 TYR CB C 13 41.643 . . . . . . . . 209 Y CB . 27682 1 1082 . 1 . 1 209 209 TYR N N 15 120.974 . . . . . . . . 209 Y N . 27682 1 1083 . 1 . 1 210 210 PRO C C 13 178.241 . . . . . . . . 210 P C . 27682 1 1084 . 1 . 1 211 211 ALA H H 1 7.946 . . . . . . . . 211 A HN . 27682 1 1085 . 1 . 1 211 211 ALA C C 13 178.255 . . . . . . . . 211 A C . 27682 1 1086 . 1 . 1 211 211 ALA CA C 13 52.667 . . . . . . . . 211 A CA . 27682 1 1087 . 1 . 1 211 211 ALA CB C 13 18.135 . . . . . . . . 211 A CB . 27682 1 1088 . 1 . 1 211 211 ALA N N 15 122.612 . . . . . . . . 211 A N . 27682 1 1089 . 1 . 1 212 212 ASP H H 1 7.925 . . . . . . . . 212 D HN . 27682 1 1090 . 1 . 1 212 212 ASP C C 13 173.423 . . . . . . . . 212 D C . 27682 1 1091 . 1 . 1 212 212 ASP CA C 13 55.227 . . . . . . . . 212 D CA . 27682 1 1092 . 1 . 1 212 212 ASP CB C 13 41.323 . . . . . . . . 212 D CB . 27682 1 1093 . 1 . 1 212 212 ASP N N 15 120.916 . . . . . . . . 212 D N . 27682 1 1094 . 1 . 1 213 213 ILE H H 1 7.608 . . . . . . . . 213 I HN . 27682 1 1095 . 1 . 1 213 213 ILE HD11 H 1 -0.605 . . . . . . . . 213 I QD1 . 27682 1 1096 . 1 . 1 213 213 ILE HD12 H 1 -0.605 . . . . . . . . 213 I QD1 . 27682 1 1097 . 1 . 1 213 213 ILE HD13 H 1 -0.605 . . . . . . . . 213 I QD1 . 27682 1 1098 . 1 . 1 213 213 ILE C C 13 172.691 . . . . . . . . 213 I C . 27682 1 1099 . 1 . 1 213 213 ILE CA C 13 60.499 . . . . . . . . 213 I CA . 27682 1 1100 . 1 . 1 213 213 ILE CB C 13 39.577 . . . . . . . . 213 I CB . 27682 1 1101 . 1 . 1 213 213 ILE CD1 C 13 13.005 . . . . . . . . 213 I CD1 . 27682 1 1102 . 1 . 1 213 213 ILE N N 15 123.278 . . . . . . . . 213 I N . 27682 1 1103 . 1 . 1 214 214 THR H H 1 8.193 . . . . . . . . 214 T HN . 27682 1 1104 . 1 . 1 214 214 THR C C 13 171.973 . . . . . . . . 214 T C . 27682 1 1105 . 1 . 1 214 214 THR CA C 13 61.911 . . . . . . . . 214 T CA . 27682 1 1106 . 1 . 1 214 214 THR CB C 13 70.655 . . . . . . . . 214 T CB . 27682 1 1107 . 1 . 1 214 214 THR N N 15 121.288 . . . . . . . . 214 T N . 27682 1 1108 . 1 . 1 215 215 LEU H H 1 8.644 . . . . . . . . 215 L HN . 27682 1 1109 . 1 . 1 215 215 LEU HD11 H 1 0.717 . . . . . . . . 215 L QD1 . 27682 1 1110 . 1 . 1 215 215 LEU HD12 H 1 0.717 . . . . . . . . 215 L QD1 . 27682 1 1111 . 1 . 1 215 215 LEU HD13 H 1 0.717 . . . . . . . . 215 L QD1 . 27682 1 1112 . 1 . 1 215 215 LEU HD21 H 1 0.696 . . . . . . . . 215 L QD2 . 27682 1 1113 . 1 . 1 215 215 LEU HD22 H 1 0.696 . . . . . . . . 215 L QD2 . 27682 1 1114 . 1 . 1 215 215 LEU HD23 H 1 0.696 . . . . . . . . 215 L QD2 . 27682 1 1115 . 1 . 1 215 215 LEU CA C 13 53.562 . . . . . . . . 215 L CA . 27682 1 1116 . 1 . 1 215 215 LEU CB C 13 44.335 . . . . . . . . 215 L CB . 27682 1 1117 . 1 . 1 215 215 LEU CD1 C 13 26.121 . . . . . . . . 215 L CD1 . 27682 1 1118 . 1 . 1 215 215 LEU CD2 C 13 25.571 . . . . . . . . 215 L CD2 . 27682 1 1119 . 1 . 1 215 215 LEU N N 15 128.843 . . . . . . . . 215 L N . 27682 1 1120 . 1 . 1 216 216 THR C C 13 172.217 . . . . . . . . 216 T C . 27682 1 1121 . 1 . 1 216 216 THR CA C 13 59.682 . . . . . . . . 216 T CA . 27682 1 1122 . 1 . 1 216 216 THR CB C 13 71.053 . . . . . . . . 216 T CB . 27682 1 1123 . 1 . 1 217 217 TRP H H 1 7.994 . . . . . . . . 217 W HN . 27682 1 1124 . 1 . 1 217 217 TRP C C 13 175.631 . . . . . . . . 217 W C . 27682 1 1125 . 1 . 1 217 217 TRP CB C 13 33.134 . . . . . . . . 217 W CB . 27682 1 1126 . 1 . 1 217 217 TRP N N 15 122.858 . . . . . . . . 217 W N . 27682 1 1127 . 1 . 1 218 218 GLN H H 1 9.708 . . . . . . . . 218 Q HN . 27682 1 1128 . 1 . 1 218 218 GLN C C 13 174.623 . . . . . . . . 218 Q C . 27682 1 1129 . 1 . 1 218 218 GLN CA C 13 54.005 . . . . . . . . 218 Q CA . 27682 1 1130 . 1 . 1 218 218 GLN N N 15 118.678 . . . . . . . . 218 Q N . 27682 1 1131 . 1 . 1 219 219 LEU H H 1 8.541 . . . . . . . . 219 L HN . 27682 1 1132 . 1 . 1 219 219 LEU HD11 H 1 0.171 . . . . . . . . 219 L QD1 . 27682 1 1133 . 1 . 1 219 219 LEU HD12 H 1 0.171 . . . . . . . . 219 L QD1 . 27682 1 1134 . 1 . 1 219 219 LEU HD13 H 1 0.171 . . . . . . . . 219 L QD1 . 27682 1 1135 . 1 . 1 219 219 LEU HD21 H 1 0.809 . . . . . . . . 219 L QD2 . 27682 1 1136 . 1 . 1 219 219 LEU HD22 H 1 0.809 . . . . . . . . 219 L QD2 . 27682 1 1137 . 1 . 1 219 219 LEU HD23 H 1 0.809 . . . . . . . . 219 L QD2 . 27682 1 1138 . 1 . 1 219 219 LEU C C 13 176.783 . . . . . . . . 219 L C . 27682 1 1139 . 1 . 1 219 219 LEU CA C 13 53.700 . . . . . . . . 219 L CA . 27682 1 1140 . 1 . 1 219 219 LEU CB C 13 43.090 . . . . . . . . 219 L CB . 27682 1 1141 . 1 . 1 219 219 LEU CD1 C 13 21.951 . . . . . . . . 219 L CD1 . 27682 1 1142 . 1 . 1 219 219 LEU CD2 C 13 25.150 . . . . . . . . 219 L CD2 . 27682 1 1143 . 1 . 1 219 219 LEU N N 15 122.385 . . . . . . . . 219 L N . 27682 1 1144 . 1 . 1 220 220 ASN H H 1 9.105 . . . . . . . . 220 N HN . 27682 1 1145 . 1 . 1 220 220 ASN C C 13 175.327 . . . . . . . . 220 N C . 27682 1 1146 . 1 . 1 220 220 ASN CA C 13 54.326 . . . . . . . . 220 N CA . 27682 1 1147 . 1 . 1 220 220 ASN CB C 13 37.019 . . . . . . . . 220 N CB . 27682 1 1148 . 1 . 1 220 220 ASN N N 15 127.311 . . . . . . . . 220 N N . 27682 1 1149 . 1 . 1 221 221 GLY H H 1 8.530 . . . . . . . . 221 G HN . 27682 1 1150 . 1 . 1 221 221 GLY C C 13 173.282 . . . . . . . . 221 G C . 27682 1 1151 . 1 . 1 221 221 GLY CA C 13 45.124 . . . . . . . . 221 G CA . 27682 1 1152 . 1 . 1 221 221 GLY N N 15 104.220 . . . . . . . . 221 G N . 27682 1 1153 . 1 . 1 222 222 GLU H H 1 7.765 . . . . . . . . 222 E HN . 27682 1 1154 . 1 . 1 222 222 GLU C C 13 175.772 . . . . . . . . 222 E C . 27682 1 1155 . 1 . 1 222 222 GLU CA C 13 54.493 . . . . . . . . 222 E CA . 27682 1 1156 . 1 . 1 222 222 GLU CB C 13 30.837 . . . . . . . . 222 E CB . 27682 1 1157 . 1 . 1 222 222 GLU N N 15 121.414 . . . . . . . . 222 E N . 27682 1 1158 . 1 . 1 223 223 GLU H H 1 8.744 . . . . . . . . 223 E HN . 27682 1 1159 . 1 . 1 223 223 GLU C C 13 177.233 . . . . . . . . 223 E C . 27682 1 1160 . 1 . 1 223 223 GLU CA C 13 57.091 . . . . . . . . 223 E CA . 27682 1 1161 . 1 . 1 223 223 GLU CB C 13 29.482 . . . . . . . . 223 E CB . 27682 1 1162 . 1 . 1 223 223 GLU N N 15 123.880 . . . . . . . . 223 E N . 27682 1 1163 . 1 . 1 224 224 LEU H H 1 8.712 . . . . . . . . 224 L HN . 27682 1 1164 . 1 . 1 224 224 LEU HD11 H 1 1.114 . . . . . . . . 224 L QD1 . 27682 1 1165 . 1 . 1 224 224 LEU HD12 H 1 1.114 . . . . . . . . 224 L QD1 . 27682 1 1166 . 1 . 1 224 224 LEU HD13 H 1 1.114 . . . . . . . . 224 L QD1 . 27682 1 1167 . 1 . 1 224 224 LEU HD21 H 1 1.031 . . . . . . . . 224 L QD2 . 27682 1 1168 . 1 . 1 224 224 LEU HD22 H 1 1.031 . . . . . . . . 224 L QD2 . 27682 1 1169 . 1 . 1 224 224 LEU HD23 H 1 1.031 . . . . . . . . 224 L QD2 . 27682 1 1170 . 1 . 1 224 224 LEU C C 13 177.354 . . . . . . . . 224 L C . 27682 1 1171 . 1 . 1 224 224 LEU CA C 13 54.182 . . . . . . . . 224 L CA . 27682 1 1172 . 1 . 1 224 224 LEU CB C 13 41.155 . . . . . . . . 224 L CB . 27682 1 1173 . 1 . 1 224 224 LEU CD1 C 13 26.182 . . . . . . . . 224 L CD1 . 27682 1 1174 . 1 . 1 224 224 LEU CD2 C 13 23.592 . . . . . . . . 224 L CD2 . 27682 1 1175 . 1 . 1 224 224 LEU N N 15 126.699 . . . . . . . . 224 L N . 27682 1 1176 . 1 . 1 225 225 THR H H 1 8.216 . . . . . . . . 225 T HN . 27682 1 1177 . 1 . 1 225 225 THR C C 13 175.417 . . . . . . . . 225 T C . 27682 1 1178 . 1 . 1 225 225 THR CA C 13 63.047 . . . . . . . . 225 T CA . 27682 1 1179 . 1 . 1 225 225 THR CB C 13 69.025 . . . . . . . . 225 T CB . 27682 1 1180 . 1 . 1 225 225 THR N N 15 113.481 . . . . . . . . 225 T N . 27682 1 1181 . 1 . 1 226 226 GLN H H 1 8.190 . . . . . . . . 226 Q HN . 27682 1 1182 . 1 . 1 226 226 GLN C C 13 175.208 . . . . . . . . 226 Q C . 27682 1 1183 . 1 . 1 226 226 GLN CA C 13 55.914 . . . . . . . . 226 Q CA . 27682 1 1184 . 1 . 1 226 226 GLN CB C 13 29.240 . . . . . . . . 226 Q CB . 27682 1 1185 . 1 . 1 226 226 GLN N N 15 120.632 . . . . . . . . 226 Q N . 27682 1 1186 . 1 . 1 227 227 ASP H H 1 8.277 . . . . . . . . 227 D HN . 27682 1 1187 . 1 . 1 227 227 ASP C C 13 175.142 . . . . . . . . 227 D C . 27682 1 1188 . 1 . 1 227 227 ASP CA C 13 54.965 . . . . . . . . 227 D CA . 27682 1 1189 . 1 . 1 227 227 ASP CB C 13 40.737 . . . . . . . . 227 D CB . 27682 1 1190 . 1 . 1 227 227 ASP N N 15 118.273 . . . . . . . . 227 D N . 27682 1 1191 . 1 . 1 228 228 MET H H 1 7.762 . . . . . . . . 228 M HN . 27682 1 1192 . 1 . 1 228 228 MET C C 13 175.687 . . . . . . . . 228 M C . 27682 1 1193 . 1 . 1 228 228 MET CA C 13 54.967 . . . . . . . . 228 M CA . 27682 1 1194 . 1 . 1 228 228 MET CB C 13 35.189 . . . . . . . . 228 M CB . 27682 1 1195 . 1 . 1 228 228 MET N N 15 120.023 . . . . . . . . 228 M N . 27682 1 1196 . 1 . 1 229 229 GLU H H 1 8.879 . . . . . . . . 229 E HN . 27682 1 1197 . 1 . 1 229 229 GLU C C 13 174.495 . . . . . . . . 229 E C . 27682 1 1198 . 1 . 1 229 229 GLU CA C 13 55.210 . . . . . . . . 229 E CA . 27682 1 1199 . 1 . 1 229 229 GLU CB C 13 30.781 . . . . . . . . 229 E CB . 27682 1 1200 . 1 . 1 229 229 GLU N N 15 125.530 . . . . . . . . 229 E N . 27682 1 1201 . 1 . 1 230 230 LEU H H 1 8.593 . . . . . . . . 230 L HN . 27682 1 1202 . 1 . 1 230 230 LEU HD11 H 1 1.003 . . . . . . . . 230 L QD1 . 27682 1 1203 . 1 . 1 230 230 LEU HD12 H 1 1.003 . . . . . . . . 230 L QD1 . 27682 1 1204 . 1 . 1 230 230 LEU HD13 H 1 1.003 . . . . . . . . 230 L QD1 . 27682 1 1205 . 1 . 1 230 230 LEU HD21 H 1 0.958 . . . . . . . . 230 L QD2 . 27682 1 1206 . 1 . 1 230 230 LEU HD22 H 1 0.958 . . . . . . . . 230 L QD2 . 27682 1 1207 . 1 . 1 230 230 LEU HD23 H 1 0.958 . . . . . . . . 230 L QD2 . 27682 1 1208 . 1 . 1 230 230 LEU C C 13 176.474 . . . . . . . . 230 L C . 27682 1 1209 . 1 . 1 230 230 LEU CA C 13 54.031 . . . . . . . . 230 L CA . 27682 1 1210 . 1 . 1 230 230 LEU CB C 13 44.500 . . . . . . . . 230 L CB . 27682 1 1211 . 1 . 1 230 230 LEU CD1 C 13 26.223 . . . . . . . . 230 L CD1 . 27682 1 1212 . 1 . 1 230 230 LEU CD2 C 13 25.458 . . . . . . . . 230 L CD2 . 27682 1 1213 . 1 . 1 230 230 LEU N N 15 124.917 . . . . . . . . 230 L N . 27682 1 1214 . 1 . 1 231 231 VAL H H 1 6.486 . . . . . . . . 231 V HN . 27682 1 1215 . 1 . 1 231 231 VAL HG11 H 1 -0.188 . . . . . . . . 231 V QG1 . 27682 1 1216 . 1 . 1 231 231 VAL HG12 H 1 -0.188 . . . . . . . . 231 V QG1 . 27682 1 1217 . 1 . 1 231 231 VAL HG13 H 1 -0.188 . . . . . . . . 231 V QG1 . 27682 1 1218 . 1 . 1 231 231 VAL HG21 H 1 -0.041 . . . . . . . . 231 V QG2 . 27682 1 1219 . 1 . 1 231 231 VAL HG22 H 1 -0.041 . . . . . . . . 231 V QG2 . 27682 1 1220 . 1 . 1 231 231 VAL HG23 H 1 -0.041 . . . . . . . . 231 V QG2 . 27682 1 1221 . 1 . 1 231 231 VAL C C 13 175.625 . . . . . . . . 231 V C . 27682 1 1222 . 1 . 1 231 231 VAL CA C 13 58.523 . . . . . . . . 231 V CA . 27682 1 1223 . 1 . 1 231 231 VAL CB C 13 32.378 . . . . . . . . 231 V CB . 27682 1 1224 . 1 . 1 231 231 VAL CG1 C 13 21.380 . . . . . . . . 231 V CG1 . 27682 1 1225 . 1 . 1 231 231 VAL CG2 C 13 17.333 . . . . . . . . 231 V CG2 . 27682 1 1226 . 1 . 1 231 231 VAL N N 15 115.204 . . . . . . . . 231 V N . 27682 1 1227 . 1 . 1 232 232 GLU H H 1 8.372 . . . . . . . . 232 E HN . 27682 1 1228 . 1 . 1 232 232 GLU C C 13 175.745 . . . . . . . . 232 E C . 27682 1 1229 . 1 . 1 232 232 GLU CA C 13 56.194 . . . . . . . . 232 E CA . 27682 1 1230 . 1 . 1 232 232 GLU CB C 13 28.941 . . . . . . . . 232 E CB . 27682 1 1231 . 1 . 1 232 232 GLU N N 15 124.310 . . . . . . . . 232 E N . 27682 1 1232 . 1 . 1 233 233 THR H H 1 8.693 . . . . . . . . 233 T HN . 27682 1 1233 . 1 . 1 233 233 THR C C 13 174.029 . . . . . . . . 233 T C . 27682 1 1234 . 1 . 1 233 233 THR CA C 13 64.253 . . . . . . . . 233 T CA . 27682 1 1235 . 1 . 1 233 233 THR CB C 13 68.123 . . . . . . . . 233 T CB . 27682 1 1236 . 1 . 1 233 233 THR N N 15 122.850 . . . . . . . . 233 T N . 27682 1 1237 . 1 . 1 234 234 ARG H H 1 8.889 . . . . . . . . 234 R HN . 27682 1 1238 . 1 . 1 234 234 ARG CA C 13 50.850 . . . . . . . . 234 R CA . 27682 1 1239 . 1 . 1 234 234 ARG CB C 13 29.929 . . . . . . . . 234 R CB . 27682 1 1240 . 1 . 1 234 234 ARG N N 15 124.286 . . . . . . . . 234 R N . 27682 1 1241 . 1 . 1 235 235 PRO C C 13 177.362 . . . . . . . . 235 P C . 27682 1 1242 . 1 . 1 236 236 ALA H H 1 8.969 . . . . . . . . 236 A HN . 27682 1 1243 . 1 . 1 236 236 ALA CA C 13 53.384 . . . . . . . . 236 A CA . 27682 1 1244 . 1 . 1 236 236 ALA CB C 13 19.013 . . . . . . . . 236 A CB . 27682 1 1245 . 1 . 1 236 236 ALA N N 15 125.724 . . . . . . . . 236 A N . 27682 1 1246 . 1 . 1 237 237 GLY CA C 13 44.022 . . . . . . . . 237 G CA . 27682 1 1247 . 1 . 1 238 238 ASP C C 13 176.191 . . . . . . . . 238 D C . 27682 1 1248 . 1 . 1 239 239 GLY H H 1 8.362 . . . . . . . . 239 G HN . 27682 1 1249 . 1 . 1 239 239 GLY C C 13 173.801 . . . . . . . . 239 G C . 27682 1 1250 . 1 . 1 239 239 GLY CA C 13 44.389 . . . . . . . . 239 G CA . 27682 1 1251 . 1 . 1 239 239 GLY N N 15 110.054 . . . . . . . . 239 G N . 27682 1 1252 . 1 . 1 240 240 THR H H 1 7.641 . . . . . . . . 240 T HN . 27682 1 1253 . 1 . 1 240 240 THR C C 13 174.405 . . . . . . . . 240 T C . 27682 1 1254 . 1 . 1 240 240 THR CA C 13 60.089 . . . . . . . . 240 T CA . 27682 1 1255 . 1 . 1 240 240 THR CB C 13 71.416 . . . . . . . . 240 T CB . 27682 1 1256 . 1 . 1 240 240 THR N N 15 110.712 . . . . . . . . 240 T N . 27682 1 1257 . 1 . 1 241 241 PHE H H 1 8.720 . . . . . . . . 241 F HN . 27682 1 1258 . 1 . 1 241 241 PHE C C 13 170.788 . . . . . . . . 241 F C . 27682 1 1259 . 1 . 1 241 241 PHE CA C 13 57.623 . . . . . . . . 241 F CA . 27682 1 1260 . 1 . 1 241 241 PHE CB C 13 43.235 . . . . . . . . 241 F CB . 27682 1 1261 . 1 . 1 241 241 PHE N N 15 120.515 . . . . . . . . 241 F N . 27682 1 1262 . 1 . 1 242 242 GLN H H 1 8.631 . . . . . . . . 242 Q HN . 27682 1 1263 . 1 . 1 242 242 GLN C C 13 175.643 . . . . . . . . 242 Q C . 27682 1 1264 . 1 . 1 242 242 GLN CB C 13 32.845 . . . . . . . . 242 Q CB . 27682 1 1265 . 1 . 1 242 242 GLN N N 15 112.134 . . . . . . . . 242 Q N . 27682 1 1266 . 1 . 1 243 243 LYS H H 1 9.443 . . . . . . . . 243 K HN . 27682 1 1267 . 1 . 1 243 243 LYS C C 13 172.098 . . . . . . . . 243 K C . 27682 1 1268 . 1 . 1 243 243 LYS CA C 13 57.145 . . . . . . . . 243 K CA . 27682 1 1269 . 1 . 1 243 243 LYS CB C 13 37.882 . . . . . . . . 243 K CB . 27682 1 1270 . 1 . 1 243 243 LYS N N 15 120.848 . . . . . . . . 243 K N . 27682 1 1271 . 1 . 1 244 244 TRP H H 1 6.195 . . . . . . . . 244 W HN . 27682 1 1272 . 1 . 1 244 244 TRP C C 13 174.199 . . . . . . . . 244 W C . 27682 1 1273 . 1 . 1 244 244 TRP CA C 13 54.892 . . . . . . . . 244 W CA . 27682 1 1274 . 1 . 1 244 244 TRP CB C 13 33.330 . . . . . . . . 244 W CB . 27682 1 1275 . 1 . 1 244 244 TRP N N 15 117.109 . . . . . . . . 244 W N . 27682 1 1276 . 1 . 1 245 245 ALA H H 1 8.718 . . . . . . . . 245 A HN . 27682 1 1277 . 1 . 1 245 245 ALA C C 13 178.159 . . . . . . . . 245 A C . 27682 1 1278 . 1 . 1 245 245 ALA CA C 13 50.889 . . . . . . . . 245 A CA . 27682 1 1279 . 1 . 1 245 245 ALA CB C 13 23.522 . . . . . . . . 245 A CB . 27682 1 1280 . 1 . 1 245 245 ALA N N 15 119.240 . . . . . . . . 245 A N . 27682 1 1281 . 1 . 1 246 246 SER H H 1 11.031 . . . . . . . . 246 S HN . 27682 1 1282 . 1 . 1 246 246 SER CA C 13 56.591 . . . . . . . . 246 S CA . 27682 1 1283 . 1 . 1 246 246 SER CB C 13 67.243 . . . . . . . . 246 S CB . 27682 1 1284 . 1 . 1 246 246 SER N N 15 125.635 . . . . . . . . 246 S N . 27682 1 1285 . 1 . 1 247 247 VAL HG11 H 1 0.079 . . . . . . . . 247 V QG1 . 27682 1 1286 . 1 . 1 247 247 VAL HG12 H 1 0.079 . . . . . . . . 247 V QG1 . 27682 1 1287 . 1 . 1 247 247 VAL HG13 H 1 0.079 . . . . . . . . 247 V QG1 . 27682 1 1288 . 1 . 1 247 247 VAL HG21 H 1 -0.305 . . . . . . . . 247 V QG2 . 27682 1 1289 . 1 . 1 247 247 VAL HG22 H 1 -0.305 . . . . . . . . 247 V QG2 . 27682 1 1290 . 1 . 1 247 247 VAL HG23 H 1 -0.305 . . . . . . . . 247 V QG2 . 27682 1 1291 . 1 . 1 247 247 VAL C C 13 172.711 . . . . . . . . 247 V C . 27682 1 1292 . 1 . 1 247 247 VAL CA C 13 59.212 . . . . . . . . 247 V CA . 27682 1 1293 . 1 . 1 247 247 VAL CB C 13 34.631 . . . . . . . . 247 V CB . 27682 1 1294 . 1 . 1 247 247 VAL CG1 C 13 21.160 . . . . . . . . 247 V CG1 . 27682 1 1295 . 1 . 1 247 247 VAL CG2 C 13 17.909 . . . . . . . . 247 V CG2 . 27682 1 1296 . 1 . 1 248 248 VAL H H 1 7.830 . . . . . . . . 248 V HN . 27682 1 1297 . 1 . 1 248 248 VAL HG11 H 1 0.746 . . . . . . . . 248 V QG1 . 27682 1 1298 . 1 . 1 248 248 VAL HG12 H 1 0.746 . . . . . . . . 248 V QG1 . 27682 1 1299 . 1 . 1 248 248 VAL HG13 H 1 0.746 . . . . . . . . 248 V QG1 . 27682 1 1300 . 1 . 1 248 248 VAL HG21 H 1 0.563 . . . . . . . . 248 V QG2 . 27682 1 1301 . 1 . 1 248 248 VAL HG22 H 1 0.563 . . . . . . . . 248 V QG2 . 27682 1 1302 . 1 . 1 248 248 VAL HG23 H 1 0.563 . . . . . . . . 248 V QG2 . 27682 1 1303 . 1 . 1 248 248 VAL C C 13 175.959 . . . . . . . . 248 V C . 27682 1 1304 . 1 . 1 248 248 VAL CA C 13 61.265 . . . . . . . . 248 V CA . 27682 1 1305 . 1 . 1 248 248 VAL CB C 13 31.268 . . . . . . . . 248 V CB . 27682 1 1306 . 1 . 1 248 248 VAL CG1 C 13 21.171 . . . . . . . . 248 V CG1 . 27682 1 1307 . 1 . 1 248 248 VAL CG2 C 13 21.615 . . . . . . . . 248 V CG2 . 27682 1 1308 . 1 . 1 248 248 VAL N N 15 124.406 . . . . . . . . 248 V N . 27682 1 1309 . 1 . 1 249 249 VAL H H 1 8.966 . . . . . . . . 249 V HN . 27682 1 1310 . 1 . 1 249 249 VAL HG11 H 1 -0.503 . . . . . . . . 249 V QG1 . 27682 1 1311 . 1 . 1 249 249 VAL HG12 H 1 -0.503 . . . . . . . . 249 V QG1 . 27682 1 1312 . 1 . 1 249 249 VAL HG13 H 1 -0.503 . . . . . . . . 249 V QG1 . 27682 1 1313 . 1 . 1 249 249 VAL CA C 13 56.601 . . . . . . . . 249 V CA . 27682 1 1314 . 1 . 1 249 249 VAL CB C 13 32.238 . . . . . . . . 249 V CB . 27682 1 1315 . 1 . 1 249 249 VAL CG1 C 13 19.941 . . . . . . . . 249 V CG1 . 27682 1 1316 . 1 . 1 249 249 VAL N N 15 123.266 . . . . . . . . 249 V N . 27682 1 1317 . 1 . 1 250 250 PRO C C 13 177.393 . . . . . . . . 250 P C . 27682 1 1318 . 1 . 1 251 251 LEU H H 1 7.873 . . . . . . . . 251 L HN . 27682 1 1319 . 1 . 1 251 251 LEU HD11 H 1 0.898 . . . . . . . . 251 L QD1 . 27682 1 1320 . 1 . 1 251 251 LEU HD12 H 1 0.898 . . . . . . . . 251 L QD1 . 27682 1 1321 . 1 . 1 251 251 LEU HD13 H 1 0.898 . . . . . . . . 251 L QD1 . 27682 1 1322 . 1 . 1 251 251 LEU HD21 H 1 0.904 . . . . . . . . 251 L QD2 . 27682 1 1323 . 1 . 1 251 251 LEU HD22 H 1 0.904 . . . . . . . . 251 L QD2 . 27682 1 1324 . 1 . 1 251 251 LEU HD23 H 1 0.904 . . . . . . . . 251 L QD2 . 27682 1 1325 . 1 . 1 251 251 LEU C C 13 177.924 . . . . . . . . 251 L C . 27682 1 1326 . 1 . 1 251 251 LEU CA C 13 56.642 . . . . . . . . 251 L CA . 27682 1 1327 . 1 . 1 251 251 LEU CB C 13 41.360 . . . . . . . . 251 L CB . 27682 1 1328 . 1 . 1 251 251 LEU CD1 C 13 25.276 . . . . . . . . 251 L CD1 . 27682 1 1329 . 1 . 1 251 251 LEU CD2 C 13 24.587 . . . . . . . . 251 L CD2 . 27682 1 1330 . 1 . 1 251 251 LEU N N 15 125.599 . . . . . . . . 251 L N . 27682 1 1331 . 1 . 1 252 252 GLY H H 1 9.005 . . . . . . . . 252 G HN . 27682 1 1332 . 1 . 1 252 252 GLY C C 13 175.161 . . . . . . . . 252 G C . 27682 1 1333 . 1 . 1 252 252 GLY CA C 13 45.203 . . . . . . . . 252 G CA . 27682 1 1334 . 1 . 1 252 252 GLY N N 15 117.696 . . . . . . . . 252 G N . 27682 1 1335 . 1 . 1 253 253 LYS H H 1 7.969 . . . . . . . . 253 K HN . 27682 1 1336 . 1 . 1 253 253 LYS C C 13 177.642 . . . . . . . . 253 K C . 27682 1 1337 . 1 . 1 253 253 LYS CA C 13 54.500 . . . . . . . . 253 K CA . 27682 1 1338 . 1 . 1 253 253 LYS CB C 13 32.000 . . . . . . . . 253 K CB . 27682 1 1339 . 1 . 1 253 253 LYS N N 15 120.406 . . . . . . . . 253 K N . 27682 1 1340 . 1 . 1 254 254 GLU H H 1 10.864 . . . . . . . . 254 E HN . 27682 1 1341 . 1 . 1 254 254 GLU C C 13 178.812 . . . . . . . . 254 E C . 27682 1 1342 . 1 . 1 254 254 GLU CA C 13 61.637 . . . . . . . . 254 E CA . 27682 1 1343 . 1 . 1 254 254 GLU CB C 13 29.528 . . . . . . . . 254 E CB . 27682 1 1344 . 1 . 1 254 254 GLU N N 15 121.877 . . . . . . . . 254 E N . 27682 1 1345 . 1 . 1 255 255 GLN H H 1 9.183 . . . . . . . . 255 Q HN . 27682 1 1346 . 1 . 1 255 255 GLN C C 13 176.171 . . . . . . . . 255 Q C . 27682 1 1347 . 1 . 1 255 255 GLN CA C 13 57.679 . . . . . . . . 255 Q CA . 27682 1 1348 . 1 . 1 255 255 GLN CB C 13 27.246 . . . . . . . . 255 Q CB . 27682 1 1349 . 1 . 1 255 255 GLN N N 15 114.984 . . . . . . . . 255 Q N . 27682 1 1350 . 1 . 1 256 256 ASN H H 1 8.170 . . . . . . . . 256 N HN . 27682 1 1351 . 1 . 1 256 256 ASN C C 13 173.939 . . . . . . . . 256 N C . 27682 1 1352 . 1 . 1 256 256 ASN CA C 13 54.091 . . . . . . . . 256 N CA . 27682 1 1353 . 1 . 1 256 256 ASN CB C 13 37.893 . . . . . . . . 256 N CB . 27682 1 1354 . 1 . 1 256 256 ASN N N 15 118.100 . . . . . . . . 256 N N . 27682 1 1355 . 1 . 1 257 257 TYR H H 1 7.799 . . . . . . . . 257 Y HN . 27682 1 1356 . 1 . 1 257 257 TYR C C 13 176.122 . . . . . . . . 257 Y C . 27682 1 1357 . 1 . 1 257 257 TYR CA C 13 57.608 . . . . . . . . 257 Y CA . 27682 1 1358 . 1 . 1 257 257 TYR CB C 13 39.780 . . . . . . . . 257 Y CB . 27682 1 1359 . 1 . 1 257 257 TYR N N 15 121.814 . . . . . . . . 257 Y N . 27682 1 1360 . 1 . 1 258 258 THR H H 1 9.136 . . . . . . . . 258 T HN . 27682 1 1361 . 1 . 1 258 258 THR C C 13 172.183 . . . . . . . . 258 T C . 27682 1 1362 . 1 . 1 258 258 THR CA C 13 59.339 . . . . . . . . 258 T CA . 27682 1 1363 . 1 . 1 258 258 THR CB C 13 71.785 . . . . . . . . 258 T CB . 27682 1 1364 . 1 . 1 258 258 THR N N 15 114.005 . . . . . . . . 258 T N . 27682 1 1365 . 1 . 1 259 259 CYS H H 1 9.087 . . . . . . . . 259 c HN . 27682 1 1366 . 1 . 1 259 259 CYS C C 13 172.734 . . . . . . . . 259 c C . 27682 1 1367 . 1 . 1 259 259 CYS CA C 13 51.472 . . . . . . . . 259 c CA . 27682 1 1368 . 1 . 1 259 259 CYS CB C 13 40.871 . . . . . . . . 259 c CB . 27682 1 1369 . 1 . 1 259 259 CYS N N 15 125.882 . . . . . . . . 259 c N . 27682 1 1370 . 1 . 1 260 260 ARG H H 1 8.826 . . . . . . . . 260 R HN . 27682 1 1371 . 1 . 1 260 260 ARG C C 13 174.357 . . . . . . . . 260 R C . 27682 1 1372 . 1 . 1 260 260 ARG CA C 13 53.192 . . . . . . . . 260 R CA . 27682 1 1373 . 1 . 1 260 260 ARG CB C 13 31.911 . . . . . . . . 260 R CB . 27682 1 1374 . 1 . 1 260 260 ARG N N 15 127.427 . . . . . . . . 260 R N . 27682 1 1375 . 1 . 1 261 261 VAL H H 1 7.867 . . . . . . . . 261 V HN . 27682 1 1376 . 1 . 1 261 261 VAL HG11 H 1 0.568 . . . . . . . . 261 V QG1 . 27682 1 1377 . 1 . 1 261 261 VAL HG12 H 1 0.568 . . . . . . . . 261 V QG1 . 27682 1 1378 . 1 . 1 261 261 VAL HG13 H 1 0.568 . . . . . . . . 261 V QG1 . 27682 1 1379 . 1 . 1 261 261 VAL HG21 H 1 0.547 . . . . . . . . 261 V QG2 . 27682 1 1380 . 1 . 1 261 261 VAL HG22 H 1 0.547 . . . . . . . . 261 V QG2 . 27682 1 1381 . 1 . 1 261 261 VAL HG23 H 1 0.547 . . . . . . . . 261 V QG2 . 27682 1 1382 . 1 . 1 261 261 VAL C C 13 173.838 . . . . . . . . 261 V C . 27682 1 1383 . 1 . 1 261 261 VAL CA C 13 60.172 . . . . . . . . 261 V CA . 27682 1 1384 . 1 . 1 261 261 VAL CB C 13 33.515 . . . . . . . . 261 V CB . 27682 1 1385 . 1 . 1 261 261 VAL CG1 C 13 21.508 . . . . . . . . 261 V CG1 . 27682 1 1386 . 1 . 1 261 261 VAL CG2 C 13 20.061 . . . . . . . . 261 V CG2 . 27682 1 1387 . 1 . 1 261 261 VAL N N 15 122.246 . . . . . . . . 261 V N . 27682 1 1388 . 1 . 1 262 262 TYR H H 1 8.795 . . . . . . . . 262 Y HN . 27682 1 1389 . 1 . 1 262 262 TYR C C 13 174.463 . . . . . . . . 262 Y C . 27682 1 1390 . 1 . 1 262 262 TYR CA C 13 55.741 . . . . . . . . 262 Y CA . 27682 1 1391 . 1 . 1 262 262 TYR CB C 13 38.802 . . . . . . . . 262 Y CB . 27682 1 1392 . 1 . 1 262 262 TYR N N 15 124.385 . . . . . . . . 262 Y N . 27682 1 1393 . 1 . 1 263 263 HIS H H 1 7.978 . . . . . . . . 263 H HN . 27682 1 1394 . 1 . 1 263 263 HIS C C 13 174.956 . . . . . . . . 263 H C . 27682 1 1395 . 1 . 1 263 263 HIS CA C 13 57.575 . . . . . . . . 263 H CA . 27682 1 1396 . 1 . 1 263 263 HIS CB C 13 35.977 . . . . . . . . 263 H CB . 27682 1 1397 . 1 . 1 263 263 HIS N N 15 122.437 . . . . . . . . 263 H N . 27682 1 1398 . 1 . 1 264 264 GLU H H 1 8.347 . . . . . . . . 264 E HN . 27682 1 1399 . 1 . 1 264 264 GLU C C 13 176.880 . . . . . . . . 264 E C . 27682 1 1400 . 1 . 1 264 264 GLU CA C 13 58.314 . . . . . . . . 264 E CA . 27682 1 1401 . 1 . 1 264 264 GLU CB C 13 29.228 . . . . . . . . 264 E CB . 27682 1 1402 . 1 . 1 264 264 GLU N N 15 127.081 . . . . . . . . 264 E N . 27682 1 1403 . 1 . 1 265 265 GLY H H 1 10.620 . . . . . . . . 265 G HN . 27682 1 1404 . 1 . 1 265 265 GLY C C 13 173.605 . . . . . . . . 265 G C . 27682 1 1405 . 1 . 1 265 265 GLY CA C 13 44.708 . . . . . . . . 265 G CA . 27682 1 1406 . 1 . 1 265 265 GLY N N 15 112.382 . . . . . . . . 265 G N . 27682 1 1407 . 1 . 1 266 266 LEU H H 1 7.859 . . . . . . . . 266 L HN . 27682 1 1408 . 1 . 1 266 266 LEU HD11 H 1 0.940 . . . . . . . . 266 L QD1 . 27682 1 1409 . 1 . 1 266 266 LEU HD12 H 1 0.940 . . . . . . . . 266 L QD1 . 27682 1 1410 . 1 . 1 266 266 LEU HD13 H 1 0.940 . . . . . . . . 266 L QD1 . 27682 1 1411 . 1 . 1 266 266 LEU HD21 H 1 1.085 . . . . . . . . 266 L QD2 . 27682 1 1412 . 1 . 1 266 266 LEU HD22 H 1 1.085 . . . . . . . . 266 L QD2 . 27682 1 1413 . 1 . 1 266 266 LEU HD23 H 1 1.085 . . . . . . . . 266 L QD2 . 27682 1 1414 . 1 . 1 266 266 LEU CA C 13 51.233 . . . . . . . . 266 L CA . 27682 1 1415 . 1 . 1 266 266 LEU CB C 13 41.858 . . . . . . . . 266 L CB . 27682 1 1416 . 1 . 1 266 266 LEU CD1 C 13 26.610 . . . . . . . . 266 L CD1 . 27682 1 1417 . 1 . 1 266 266 LEU CD2 C 13 23.215 . . . . . . . . 266 L CD2 . 27682 1 1418 . 1 . 1 266 266 LEU N N 15 121.913 . . . . . . . . 266 L N . 27682 1 1419 . 1 . 1 269 269 PRO C C 13 177.241 . . . . . . . . 269 P C . 27682 1 1420 . 1 . 1 270 270 LEU H H 1 8.140 . . . . . . . . 270 L HN . 27682 1 1421 . 1 . 1 270 270 LEU HD11 H 1 0.938 . . . . . . . . 270 L QD1 . 27682 1 1422 . 1 . 1 270 270 LEU HD12 H 1 0.938 . . . . . . . . 270 L QD1 . 27682 1 1423 . 1 . 1 270 270 LEU HD13 H 1 0.938 . . . . . . . . 270 L QD1 . 27682 1 1424 . 1 . 1 270 270 LEU HD21 H 1 0.876 . . . . . . . . 270 L QD2 . 27682 1 1425 . 1 . 1 270 270 LEU HD22 H 1 0.876 . . . . . . . . 270 L QD2 . 27682 1 1426 . 1 . 1 270 270 LEU HD23 H 1 0.876 . . . . . . . . 270 L QD2 . 27682 1 1427 . 1 . 1 270 270 LEU C C 13 176.743 . . . . . . . . 270 L C . 27682 1 1428 . 1 . 1 270 270 LEU CA C 13 53.932 . . . . . . . . 270 L CA . 27682 1 1429 . 1 . 1 270 270 LEU CB C 13 43.164 . . . . . . . . 270 L CB . 27682 1 1430 . 1 . 1 270 270 LEU CD1 C 13 22.955 . . . . . . . . 270 L CD1 . 27682 1 1431 . 1 . 1 270 270 LEU CD2 C 13 24.979 . . . . . . . . 270 L CD2 . 27682 1 1432 . 1 . 1 270 270 LEU N N 15 123.286 . . . . . . . . 270 L N . 27682 1 1433 . 1 . 1 271 271 THR H H 1 8.363 . . . . . . . . 271 T HN . 27682 1 1434 . 1 . 1 271 271 THR C C 13 173.714 . . . . . . . . 271 T C . 27682 1 1435 . 1 . 1 271 271 THR CA C 13 61.662 . . . . . . . . 271 T CA . 27682 1 1436 . 1 . 1 271 271 THR CB C 13 69.297 . . . . . . . . 271 T CB . 27682 1 1437 . 1 . 1 271 271 THR N N 15 118.164 . . . . . . . . 271 T N . 27682 1 1438 . 1 . 1 272 272 LEU H H 1 9.484 . . . . . . . . 272 L HN . 27682 1 1439 . 1 . 1 272 272 LEU HD11 H 1 0.801 . . . . . . . . 272 L QD1 . 27682 1 1440 . 1 . 1 272 272 LEU HD12 H 1 0.801 . . . . . . . . 272 L QD1 . 27682 1 1441 . 1 . 1 272 272 LEU HD13 H 1 0.801 . . . . . . . . 272 L QD1 . 27682 1 1442 . 1 . 1 272 272 LEU HD21 H 1 0.759 . . . . . . . . 272 L QD2 . 27682 1 1443 . 1 . 1 272 272 LEU HD22 H 1 0.759 . . . . . . . . 272 L QD2 . 27682 1 1444 . 1 . 1 272 272 LEU HD23 H 1 0.759 . . . . . . . . 272 L QD2 . 27682 1 1445 . 1 . 1 272 272 LEU C C 13 174.493 . . . . . . . . 272 L C . 27682 1 1446 . 1 . 1 272 272 LEU CA C 13 54.307 . . . . . . . . 272 L CA . 27682 1 1447 . 1 . 1 272 272 LEU CB C 13 44.503 . . . . . . . . 272 L CB . 27682 1 1448 . 1 . 1 272 272 LEU CD1 C 13 25.362 . . . . . . . . 272 L CD1 . 27682 1 1449 . 1 . 1 272 272 LEU CD2 C 13 26.870 . . . . . . . . 272 L CD2 . 27682 1 1450 . 1 . 1 272 272 LEU N N 15 128.047 . . . . . . . . 272 L N . 27682 1 1451 . 1 . 1 273 273 ARG H H 1 8.389 . . . . . . . . 273 R HN . 27682 1 1452 . 1 . 1 273 273 ARG C C 13 175.255 . . . . . . . . 273 R C . 27682 1 1453 . 1 . 1 273 273 ARG CA C 13 54.084 . . . . . . . . 273 R CA . 27682 1 1454 . 1 . 1 273 273 ARG CB C 13 33.838 . . . . . . . . 273 R CB . 27682 1 1455 . 1 . 1 273 273 ARG N N 15 118.469 . . . . . . . . 273 R N . 27682 1 1456 . 1 . 1 274 274 TRP H H 1 9.921 . . . . . . . . 274 W HN . 27682 1 1457 . 1 . 1 274 274 TRP C C 13 174.383 . . . . . . . . 274 W C . 27682 1 1458 . 1 . 1 274 274 TRP CA C 13 58.268 . . . . . . . . 274 W CA . 27682 1 1459 . 1 . 1 274 274 TRP CB C 13 28.915 . . . . . . . . 274 W CB . 27682 1 1460 . 1 . 1 274 274 TRP N N 15 124.201 . . . . . . . . 274 W N . 27682 1 1461 . 1 . 1 275 275 GLU H H 1 7.369 . . . . . . . . 275 E HN . 27682 1 1462 . 1 . 1 275 275 GLU CA C 13 52.009 . . . . . . . . 275 E CA . 27682 1 1463 . 1 . 1 275 275 GLU CB C 13 29.955 . . . . . . . . 275 E CB . 27682 1 1464 . 1 . 1 275 275 GLU N N 15 128.554 . . . . . . . . 275 E N . 27682 1 stop_ save_