data_16984 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16984 _Entry.Title ; Backbone assignments of D-allose binding protein from Escherichia coli in the complex form with D-allose ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-06-08 _Entry.Accession_date 2010-06-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Oscar Millet . . . 16984 2 David Castano . . . 16984 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16984 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 690 16984 '15N chemical shifts' 224 16984 '1H chemical shifts' 224 16984 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2011-03-24 2010-06-08 update BMRB 'update entry citation' 16984 1 . . 2010-08-19 2010-06-08 original author 'original release' 16984 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16982 'Apo form' 16984 PDB 1GUD . 16984 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16984 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20711759 _Citation.Full_citation . _Citation.Title 'Backbone chemical shifts assignments of D: -allose binding protein in the free form and in complex with D: -allose.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 5 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 31 _Citation.Page_last 34 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 David Castano . . . 16984 1 2 Oscar Millet . . . 16984 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'bacterial chemotaxis' 16984 1 'D-allose binding protein' 16984 1 'hinge motion' 16984 1 'periplasmic binding protein' 16984 1 'protein dynamics' 16984 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16984 _Assembly.ID 1 _Assembly.Name ALBP _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 30385 _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 ALBP 1 $ALBP A . yes native no no . . . 16984 1 2 D-allose 2 $AOS A . no native no no . . . 16984 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ALBP _Entity.Sf_category entity _Entity.Sf_framecode ALBP _Entity.Entry_ID 16984 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ALBP _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 ; AAEYAVVLKTLSNPFWVDMK KGIEDEAKTLGVSVDIFASP SEGDFQSQLQLFEDLSNKNY KGIAFAPLSSVNLVMPVARA WKKGIYLVNLDEKIDMDNLK KAGGNVEAFVTTDNVAVGAK GASFIIDKLGAEGGEVAIIE GKAGNASGEARRNGATEAFK KASQIKLVASQPADWDRIKA LDVATNVLQRNPNIKAIYCA NDTMAMGVAQAVANAGKTGK VLVVGTDGIPEARKMVEAGQ MTATVAQNPADIGATGLKLM VDAEKSGKVIPLDKAPEFKL VDSILVTQ ; _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 288 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 30385 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16982 . ALBP . . . . . 100.00 288 100.00 100.00 0.00e+00 . . . . 16984 1 2 no PDB 1GUB . "Hinge-Bending Motion Of D-Allose Binding Protein From Escherichia Coli: Three Open Conformations" . . . . . 99.65 288 100.00 100.00 0.00e+00 . . . . 16984 1 3 no PDB 1GUD . "Hinge-Bending Motion Of D-Allose Binding Protein From Escherichia Coli: Three Open Conformations" . . . . . 100.00 288 100.00 100.00 0.00e+00 . . . . 16984 1 4 no PDB 1RPJ . "Crystal Structure Of D-Allose Binding Protein From Escherichia Coli" . . . . . 100.00 288 100.00 100.00 0.00e+00 . . . . 16984 1 5 no DBJ BAE78091 . "D-allose transporter subunit [Escherichia coli str. K12 substr. W3110]" . . . . . 100.00 311 100.00 100.00 0.00e+00 . . . . 16984 1 6 no DBJ BAG79910 . "D-allose ABC transporter substrate binding component [Escherichia coli SE11]" . . . . . 100.00 311 99.31 99.65 0.00e+00 . . . . 16984 1 7 no DBJ BAI33528 . "D-allose-binding periplasmic protein [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 311 99.31 100.00 0.00e+00 . . . . 16984 1 8 no DBJ BAI57509 . "D-allose ABC transporter substrate binding component [Escherichia coli SE15]" . . . . . 100.00 311 99.65 99.65 0.00e+00 . . . . 16984 1 9 no DBJ BAJ45803 . "D-allose transporter subunit [Escherichia coli DH1]" . . . . . 100.00 311 99.65 99.65 0.00e+00 . . . . 16984 1 10 no EMBL CAP78562 . "D-allose-binding periplasmic protein [Escherichia coli LF82]" . . . . . 100.00 313 99.65 99.65 0.00e+00 . . . . 16984 1 11 no EMBL CAQ34437 . "alsB, subunit of D-allose ABC transporter [Escherichia coli BL21(DE3)]" . . . . . 100.00 311 100.00 100.00 0.00e+00 . . . . 16984 1 12 no EMBL CAR05747 . "D-allose transporter subunit ; periplasmic-binding component of ABC superfamily [Escherichia coli S88]" . . . . . 100.00 311 99.65 99.65 0.00e+00 . . . . 16984 1 13 no EMBL CAR10927 . "D-allose transporter subunit ; periplasmic-binding component of ABC superfamily [Escherichia coli ED1a]" . . . . . 100.00 311 98.96 99.31 0.00e+00 . . . . 16984 1 14 no EMBL CAR20617 . "D-allose transporter subunit ; periplasmic-binding component of ABC superfamily [Escherichia coli IAI39]" . . . . . 100.00 311 99.65 99.65 0.00e+00 . . . . 16984 1 15 no GB AAA96987 . "ORF_f311 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 311 100.00 100.00 0.00e+00 . . . . 16984 1 16 no GB AAC77049 . "D-allose ABC transporter periplasmic binding protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 311 100.00 100.00 0.00e+00 . . . . 16984 1 17 no GB AAN83519 . "D-allose-binding periplasmic protein precursor [Escherichia coli CFT073]" . . . . . 100.00 313 99.65 99.65 0.00e+00 . . . . 16984 1 18 no GB ABE10091 . "D-allose-binding periplasmic protein precursor [Escherichia coli UTI89]" . . . . . 100.00 313 99.65 99.65 0.00e+00 . . . . 16984 1 19 no GB ABG72275 . "D-allose-binding periplasmic protein precursor [Escherichia coli 536]" . . . . . 100.00 313 99.65 99.65 0.00e+00 . . . . 16984 1 20 no REF NP_418512 . "D-allose ABC transporter periplasmic binding protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 311 100.00 100.00 0.00e+00 . . . . 16984 1 21 no REF WP_001046184 . "cytochrome C [Escherichia coli]" . . . . . 100.00 311 98.96 99.65 0.00e+00 . . . . 16984 1 22 no REF WP_001046185 . "cytochrome C [Escherichia coli]" . . . . . 100.00 311 99.65 99.65 0.00e+00 . . . . 16984 1 23 no REF WP_001046186 . "D-allose-binding periplasmic protein [Escherichia coli]" . . . . . 100.00 311 99.31 100.00 0.00e+00 . . . . 16984 1 24 no REF WP_001046187 . "MULTISPECIES: D-allose-binding periplasmic protein [Proteobacteria]" . . . . . 100.00 311 100.00 100.00 0.00e+00 . . . . 16984 1 25 no SP P39265 . "RecName: Full=D-allose-binding periplasmic protein; Short=ALBP; Flags: Precursor" . . . . . 100.00 311 100.00 100.00 0.00e+00 . . . . 16984 1 stop_ 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 . ALA . 16984 1 2 . ALA . 16984 1 3 . GLU . 16984 1 4 . TYR . 16984 1 5 . ALA . 16984 1 6 . VAL . 16984 1 7 . VAL . 16984 1 8 . LEU . 16984 1 9 . LYS . 16984 1 10 . THR . 16984 1 11 . LEU . 16984 1 12 . SER . 16984 1 13 . ASN . 16984 1 14 . PRO . 16984 1 15 . PHE . 16984 1 16 . TRP . 16984 1 17 . VAL . 16984 1 18 . ASP . 16984 1 19 . MET . 16984 1 20 . LYS . 16984 1 21 . LYS . 16984 1 22 . GLY . 16984 1 23 . ILE . 16984 1 24 . GLU . 16984 1 25 . ASP . 16984 1 26 . GLU . 16984 1 27 . ALA . 16984 1 28 . LYS . 16984 1 29 . THR . 16984 1 30 . LEU . 16984 1 31 . GLY . 16984 1 32 . VAL . 16984 1 33 . SER . 16984 1 34 . VAL . 16984 1 35 . ASP . 16984 1 36 . ILE . 16984 1 37 . PHE . 16984 1 38 . ALA . 16984 1 39 . SER . 16984 1 40 . PRO . 16984 1 41 . SER . 16984 1 42 . GLU . 16984 1 43 . GLY . 16984 1 44 . ASP . 16984 1 45 . PHE . 16984 1 46 . GLN . 16984 1 47 . SER . 16984 1 48 . GLN . 16984 1 49 . LEU . 16984 1 50 . GLN . 16984 1 51 . LEU . 16984 1 52 . PHE . 16984 1 53 . GLU . 16984 1 54 . ASP . 16984 1 55 . LEU . 16984 1 56 . SER . 16984 1 57 . ASN . 16984 1 58 . LYS . 16984 1 59 . ASN . 16984 1 60 . TYR . 16984 1 61 . LYS . 16984 1 62 . GLY . 16984 1 63 . ILE . 16984 1 64 . ALA . 16984 1 65 . PHE . 16984 1 66 . ALA . 16984 1 67 . PRO . 16984 1 68 . LEU . 16984 1 69 . SER . 16984 1 70 . SER . 16984 1 71 . VAL . 16984 1 72 . ASN . 16984 1 73 . LEU . 16984 1 74 . VAL . 16984 1 75 . MET . 16984 1 76 . PRO . 16984 1 77 . VAL . 16984 1 78 . ALA . 16984 1 79 . ARG . 16984 1 80 . ALA . 16984 1 81 . TRP . 16984 1 82 . LYS . 16984 1 83 . LYS . 16984 1 84 . GLY . 16984 1 85 . ILE . 16984 1 86 . TYR . 16984 1 87 . LEU . 16984 1 88 . VAL . 16984 1 89 . ASN . 16984 1 90 . LEU . 16984 1 91 . ASP . 16984 1 92 . GLU . 16984 1 93 . LYS . 16984 1 94 . ILE . 16984 1 95 . ASP . 16984 1 96 . MET . 16984 1 97 . ASP . 16984 1 98 . ASN . 16984 1 99 . LEU . 16984 1 100 . LYS . 16984 1 101 . LYS . 16984 1 102 . ALA . 16984 1 103 . GLY . 16984 1 104 . GLY . 16984 1 105 . ASN . 16984 1 106 . VAL . 16984 1 107 . GLU . 16984 1 108 . ALA . 16984 1 109 . PHE . 16984 1 110 . VAL . 16984 1 111 . THR . 16984 1 112 . THR . 16984 1 113 . ASP . 16984 1 114 . ASN . 16984 1 115 . VAL . 16984 1 116 . ALA . 16984 1 117 . VAL . 16984 1 118 . GLY . 16984 1 119 . ALA . 16984 1 120 . LYS . 16984 1 121 . GLY . 16984 1 122 . ALA . 16984 1 123 . SER . 16984 1 124 . PHE . 16984 1 125 . ILE . 16984 1 126 . ILE . 16984 1 127 . ASP . 16984 1 128 . LYS . 16984 1 129 . LEU . 16984 1 130 . GLY . 16984 1 131 . ALA . 16984 1 132 . GLU . 16984 1 133 . GLY . 16984 1 134 . GLY . 16984 1 135 . GLU . 16984 1 136 . VAL . 16984 1 137 . ALA . 16984 1 138 . ILE . 16984 1 139 . ILE . 16984 1 140 . GLU . 16984 1 141 . GLY . 16984 1 142 . LYS . 16984 1 143 . ALA . 16984 1 144 . GLY . 16984 1 145 . ASN . 16984 1 146 . ALA . 16984 1 147 . SER . 16984 1 148 . GLY . 16984 1 149 . GLU . 16984 1 150 . ALA . 16984 1 151 . ARG . 16984 1 152 . ARG . 16984 1 153 . ASN . 16984 1 154 . GLY . 16984 1 155 . ALA . 16984 1 156 . THR . 16984 1 157 . GLU . 16984 1 158 . ALA . 16984 1 159 . PHE . 16984 1 160 . LYS . 16984 1 161 . LYS . 16984 1 162 . ALA . 16984 1 163 . SER . 16984 1 164 . GLN . 16984 1 165 . ILE . 16984 1 166 . LYS . 16984 1 167 . LEU . 16984 1 168 . VAL . 16984 1 169 . ALA . 16984 1 170 . SER . 16984 1 171 . GLN . 16984 1 172 . PRO . 16984 1 173 . ALA . 16984 1 174 . ASP . 16984 1 175 . TRP . 16984 1 176 . ASP . 16984 1 177 . ARG . 16984 1 178 . ILE . 16984 1 179 . LYS . 16984 1 180 . ALA . 16984 1 181 . LEU . 16984 1 182 . ASP . 16984 1 183 . VAL . 16984 1 184 . ALA . 16984 1 185 . THR . 16984 1 186 . ASN . 16984 1 187 . VAL . 16984 1 188 . LEU . 16984 1 189 . GLN . 16984 1 190 . ARG . 16984 1 191 . ASN . 16984 1 192 . PRO . 16984 1 193 . ASN . 16984 1 194 . ILE . 16984 1 195 . LYS . 16984 1 196 . ALA . 16984 1 197 . ILE . 16984 1 198 . TYR . 16984 1 199 . CYS . 16984 1 200 . ALA . 16984 1 201 . ASN . 16984 1 202 . ASP . 16984 1 203 . THR . 16984 1 204 . MET . 16984 1 205 . ALA . 16984 1 206 . MET . 16984 1 207 . GLY . 16984 1 208 . VAL . 16984 1 209 . ALA . 16984 1 210 . GLN . 16984 1 211 . ALA . 16984 1 212 . VAL . 16984 1 213 . ALA . 16984 1 214 . ASN . 16984 1 215 . ALA . 16984 1 216 . GLY . 16984 1 217 . LYS . 16984 1 218 . THR . 16984 1 219 . GLY . 16984 1 220 . LYS . 16984 1 221 . VAL . 16984 1 222 . LEU . 16984 1 223 . VAL . 16984 1 224 . VAL . 16984 1 225 . GLY . 16984 1 226 . THR . 16984 1 227 . ASP . 16984 1 228 . GLY . 16984 1 229 . ILE . 16984 1 230 . PRO . 16984 1 231 . GLU . 16984 1 232 . ALA . 16984 1 233 . ARG . 16984 1 234 . LYS . 16984 1 235 . MET . 16984 1 236 . VAL . 16984 1 237 . GLU . 16984 1 238 . ALA . 16984 1 239 . GLY . 16984 1 240 . GLN . 16984 1 241 . MET . 16984 1 242 . THR . 16984 1 243 . ALA . 16984 1 244 . THR . 16984 1 245 . VAL . 16984 1 246 . ALA . 16984 1 247 . GLN . 16984 1 248 . ASN . 16984 1 249 . PRO . 16984 1 250 . ALA . 16984 1 251 . ASP . 16984 1 252 . ILE . 16984 1 253 . GLY . 16984 1 254 . ALA . 16984 1 255 . THR . 16984 1 256 . GLY . 16984 1 257 . LEU . 16984 1 258 . LYS . 16984 1 259 . LEU . 16984 1 260 . MET . 16984 1 261 . VAL . 16984 1 262 . ASP . 16984 1 263 . ALA . 16984 1 264 . GLU . 16984 1 265 . LYS . 16984 1 266 . SER . 16984 1 267 . GLY . 16984 1 268 . LYS . 16984 1 269 . VAL . 16984 1 270 . ILE . 16984 1 271 . PRO . 16984 1 272 . LEU . 16984 1 273 . ASP . 16984 1 274 . LYS . 16984 1 275 . ALA . 16984 1 276 . PRO . 16984 1 277 . GLU . 16984 1 278 . PHE . 16984 1 279 . LYS . 16984 1 280 . LEU . 16984 1 281 . VAL . 16984 1 282 . ASP . 16984 1 283 . SER . 16984 1 284 . ILE . 16984 1 285 . LEU . 16984 1 286 . VAL . 16984 1 287 . THR . 16984 1 288 . GLN . 16984 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 . ALA 1 1 16984 1 . ALA 2 2 16984 1 . GLU 3 3 16984 1 . TYR 4 4 16984 1 . ALA 5 5 16984 1 . VAL 6 6 16984 1 . VAL 7 7 16984 1 . LEU 8 8 16984 1 . LYS 9 9 16984 1 . THR 10 10 16984 1 . LEU 11 11 16984 1 . SER 12 12 16984 1 . ASN 13 13 16984 1 . PRO 14 14 16984 1 . PHE 15 15 16984 1 . TRP 16 16 16984 1 . VAL 17 17 16984 1 . ASP 18 18 16984 1 . MET 19 19 16984 1 . LYS 20 20 16984 1 . LYS 21 21 16984 1 . GLY 22 22 16984 1 . ILE 23 23 16984 1 . GLU 24 24 16984 1 . ASP 25 25 16984 1 . GLU 26 26 16984 1 . ALA 27 27 16984 1 . LYS 28 28 16984 1 . THR 29 29 16984 1 . LEU 30 30 16984 1 . GLY 31 31 16984 1 . VAL 32 32 16984 1 . SER 33 33 16984 1 . VAL 34 34 16984 1 . ASP 35 35 16984 1 . ILE 36 36 16984 1 . PHE 37 37 16984 1 . ALA 38 38 16984 1 . SER 39 39 16984 1 . PRO 40 40 16984 1 . SER 41 41 16984 1 . GLU 42 42 16984 1 . GLY 43 43 16984 1 . ASP 44 44 16984 1 . PHE 45 45 16984 1 . GLN 46 46 16984 1 . SER 47 47 16984 1 . GLN 48 48 16984 1 . LEU 49 49 16984 1 . GLN 50 50 16984 1 . LEU 51 51 16984 1 . PHE 52 52 16984 1 . GLU 53 53 16984 1 . ASP 54 54 16984 1 . LEU 55 55 16984 1 . SER 56 56 16984 1 . ASN 57 57 16984 1 . LYS 58 58 16984 1 . ASN 59 59 16984 1 . TYR 60 60 16984 1 . LYS 61 61 16984 1 . GLY 62 62 16984 1 . ILE 63 63 16984 1 . ALA 64 64 16984 1 . PHE 65 65 16984 1 . ALA 66 66 16984 1 . PRO 67 67 16984 1 . LEU 68 68 16984 1 . SER 69 69 16984 1 . SER 70 70 16984 1 . VAL 71 71 16984 1 . ASN 72 72 16984 1 . LEU 73 73 16984 1 . VAL 74 74 16984 1 . MET 75 75 16984 1 . PRO 76 76 16984 1 . VAL 77 77 16984 1 . ALA 78 78 16984 1 . ARG 79 79 16984 1 . ALA 80 80 16984 1 . TRP 81 81 16984 1 . LYS 82 82 16984 1 . LYS 83 83 16984 1 . GLY 84 84 16984 1 . ILE 85 85 16984 1 . TYR 86 86 16984 1 . LEU 87 87 16984 1 . VAL 88 88 16984 1 . ASN 89 89 16984 1 . LEU 90 90 16984 1 . ASP 91 91 16984 1 . GLU 92 92 16984 1 . LYS 93 93 16984 1 . ILE 94 94 16984 1 . ASP 95 95 16984 1 . MET 96 96 16984 1 . ASP 97 97 16984 1 . ASN 98 98 16984 1 . LEU 99 99 16984 1 . LYS 100 100 16984 1 . LYS 101 101 16984 1 . ALA 102 102 16984 1 . GLY 103 103 16984 1 . GLY 104 104 16984 1 . ASN 105 105 16984 1 . VAL 106 106 16984 1 . GLU 107 107 16984 1 . ALA 108 108 16984 1 . PHE 109 109 16984 1 . VAL 110 110 16984 1 . THR 111 111 16984 1 . THR 112 112 16984 1 . ASP 113 113 16984 1 . ASN 114 114 16984 1 . VAL 115 115 16984 1 . ALA 116 116 16984 1 . VAL 117 117 16984 1 . GLY 118 118 16984 1 . ALA 119 119 16984 1 . LYS 120 120 16984 1 . GLY 121 121 16984 1 . ALA 122 122 16984 1 . SER 123 123 16984 1 . PHE 124 124 16984 1 . ILE 125 125 16984 1 . ILE 126 126 16984 1 . ASP 127 127 16984 1 . LYS 128 128 16984 1 . LEU 129 129 16984 1 . GLY 130 130 16984 1 . ALA 131 131 16984 1 . GLU 132 132 16984 1 . GLY 133 133 16984 1 . GLY 134 134 16984 1 . GLU 135 135 16984 1 . VAL 136 136 16984 1 . ALA 137 137 16984 1 . ILE 138 138 16984 1 . ILE 139 139 16984 1 . GLU 140 140 16984 1 . GLY 141 141 16984 1 . LYS 142 142 16984 1 . ALA 143 143 16984 1 . GLY 144 144 16984 1 . ASN 145 145 16984 1 . ALA 146 146 16984 1 . SER 147 147 16984 1 . GLY 148 148 16984 1 . GLU 149 149 16984 1 . ALA 150 150 16984 1 . ARG 151 151 16984 1 . ARG 152 152 16984 1 . ASN 153 153 16984 1 . GLY 154 154 16984 1 . ALA 155 155 16984 1 . THR 156 156 16984 1 . GLU 157 157 16984 1 . ALA 158 158 16984 1 . PHE 159 159 16984 1 . LYS 160 160 16984 1 . LYS 161 161 16984 1 . ALA 162 162 16984 1 . SER 163 163 16984 1 . GLN 164 164 16984 1 . ILE 165 165 16984 1 . LYS 166 166 16984 1 . LEU 167 167 16984 1 . VAL 168 168 16984 1 . ALA 169 169 16984 1 . SER 170 170 16984 1 . GLN 171 171 16984 1 . PRO 172 172 16984 1 . ALA 173 173 16984 1 . ASP 174 174 16984 1 . TRP 175 175 16984 1 . ASP 176 176 16984 1 . ARG 177 177 16984 1 . ILE 178 178 16984 1 . LYS 179 179 16984 1 . ALA 180 180 16984 1 . LEU 181 181 16984 1 . ASP 182 182 16984 1 . VAL 183 183 16984 1 . ALA 184 184 16984 1 . THR 185 185 16984 1 . ASN 186 186 16984 1 . VAL 187 187 16984 1 . LEU 188 188 16984 1 . GLN 189 189 16984 1 . ARG 190 190 16984 1 . ASN 191 191 16984 1 . PRO 192 192 16984 1 . ASN 193 193 16984 1 . ILE 194 194 16984 1 . LYS 195 195 16984 1 . ALA 196 196 16984 1 . ILE 197 197 16984 1 . TYR 198 198 16984 1 . CYS 199 199 16984 1 . ALA 200 200 16984 1 . ASN 201 201 16984 1 . ASP 202 202 16984 1 . THR 203 203 16984 1 . MET 204 204 16984 1 . ALA 205 205 16984 1 . MET 206 206 16984 1 . GLY 207 207 16984 1 . VAL 208 208 16984 1 . ALA 209 209 16984 1 . GLN 210 210 16984 1 . ALA 211 211 16984 1 . VAL 212 212 16984 1 . ALA 213 213 16984 1 . ASN 214 214 16984 1 . ALA 215 215 16984 1 . GLY 216 216 16984 1 . LYS 217 217 16984 1 . THR 218 218 16984 1 . GLY 219 219 16984 1 . LYS 220 220 16984 1 . VAL 221 221 16984 1 . LEU 222 222 16984 1 . VAL 223 223 16984 1 . VAL 224 224 16984 1 . GLY 225 225 16984 1 . THR 226 226 16984 1 . ASP 227 227 16984 1 . GLY 228 228 16984 1 . ILE 229 229 16984 1 . PRO 230 230 16984 1 . GLU 231 231 16984 1 . ALA 232 232 16984 1 . ARG 233 233 16984 1 . LYS 234 234 16984 1 . MET 235 235 16984 1 . VAL 236 236 16984 1 . GLU 237 237 16984 1 . ALA 238 238 16984 1 . GLY 239 239 16984 1 . GLN 240 240 16984 1 . MET 241 241 16984 1 . THR 242 242 16984 1 . ALA 243 243 16984 1 . THR 244 244 16984 1 . VAL 245 245 16984 1 . ALA 246 246 16984 1 . GLN 247 247 16984 1 . ASN 248 248 16984 1 . PRO 249 249 16984 1 . ALA 250 250 16984 1 . ASP 251 251 16984 1 . ILE 252 252 16984 1 . GLY 253 253 16984 1 . ALA 254 254 16984 1 . THR 255 255 16984 1 . GLY 256 256 16984 1 . LEU 257 257 16984 1 . LYS 258 258 16984 1 . LEU 259 259 16984 1 . MET 260 260 16984 1 . VAL 261 261 16984 1 . ASP 262 262 16984 1 . ALA 263 263 16984 1 . GLU 264 264 16984 1 . LYS 265 265 16984 1 . SER 266 266 16984 1 . GLY 267 267 16984 1 . LYS 268 268 16984 1 . VAL 269 269 16984 1 . ILE 270 270 16984 1 . PRO 271 271 16984 1 . LEU 272 272 16984 1 . ASP 273 273 16984 1 . LYS 274 274 16984 1 . ALA 275 275 16984 1 . PRO 276 276 16984 1 . GLU 277 277 16984 1 . PHE 278 278 16984 1 . LYS 279 279 16984 1 . LEU 280 280 16984 1 . VAL 281 281 16984 1 . ASP 282 282 16984 1 . SER 283 283 16984 1 . ILE 284 284 16984 1 . LEU 285 285 16984 1 . VAL 286 286 16984 1 . THR 287 287 16984 1 . GLN 288 288 16984 1 stop_ save_ save_AOS _Entity.Sf_category entity _Entity.Sf_framecode AOS _Entity.Entry_ID 16984 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name AOS _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID AOS _Entity.Nonpolymer_comp_label $chem_comp_AOS _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . AOS . 16984 2 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 16984 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $ALBP . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 16984 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 16984 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $ALBP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET11d . . . . . . 16984 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_AOS _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_AOS _Chem_comp.Entry_ID 16984 _Chem_comp.ID AOS _Chem_comp.Provenance . _Chem_comp.Name D-ALLOSE _Chem_comp.Type D-SACCHARIDE _Chem_comp.BMRB_code . _Chem_comp.PDB_code AOS _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date 2006-08-25 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code AOS _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C6 H12 O6' _Chem_comp.Formula_weight 180.156 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 2I57 _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Dec 5 11:57:26 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C(C(C(C(C(C=O)O)O)O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 16984 AOS C([C@H]([C@H]([C@H]([C@H](C=O)O)O)O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16984 AOS GZCGUPFRVQAUEE-BGPJRJDNSA-N InChIKey InChI 1.03 16984 AOS InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5-,6+/m0/s1 InChI InChI 1.03 16984 AOS OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C=O SMILES_CANONICAL CACTVS 3.341 16984 AOS OC[CH](O)[CH](O)[CH](O)[CH](O)C=O SMILES CACTVS 3.341 16984 AOS O=CC(O)C(O)C(O)C(O)CO SMILES ACDLabs 10.04 16984 AOS stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID (2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanal 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16984 AOS D-allose 'SYSTEMATIC NAME' ACDLabs 10.04 16984 AOS stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 . C1 . . C . . N 0 . . . . no no . . . . 15.164 . 32.837 . 67.646 . -0.047 -4.916 3.745 1 . 16984 AOS O1 . O1 . . O . . N 0 . . . . no no . . . . 16.234 . 33.003 . 68.246 . -1.019 -5.383 4.331 2 . 16984 AOS C2 . C2 . . C . . R 0 . . . . no no . . . . 14.873 . 31.503 . 66.969 . 0.860 -3.845 4.315 3 . 16984 AOS O2 . O2 . . O . . N 0 . . . . no no . . . . 15.988 . 31.095 . 66.194 . 0.430 -3.579 5.646 4 . 16984 AOS C3 . C3 . . C . . R 0 . . . . no no . . . . 13.610 . 31.585 . 66.092 . 0.828 -2.524 3.535 5 . 16984 AOS O3 . O3 . . O . . N 0 . . . . no no . . . . 13.569 . 30.472 . 65.208 . -0.470 -1.929 3.650 6 . 16984 AOS C4 . C4 . . C . . R 0 . . . . no no . . . . 13.482 . 32.890 . 65.290 . 1.184 -2.595 2.039 7 . 16984 AOS O4 . O4 . . O . . N 0 . . . . no no . . . . 12.191 . 32.960 . 64.696 . 2.465 -3.211 1.871 8 . 16984 AOS C5 . C5 . . C . . R 0 . . . . no no . . . . 14.547 . 33.001 . 64.200 . 1.227 -1.246 1.306 9 . 16984 AOS O5 . O5 . . O . . N 0 . . . . no no . . . . 15.821 . 33.201 . 64.791 . -0.099 -0.699 1.311 10 . 16984 AOS C6 . C6 . . C . . N 0 . . . . no no . . . . 14.221 . 34.177 . 63.293 . 1.663 -1.345 -0.152 11 . 16984 AOS O6 . O6 . . O . . N 0 . . . . no no . . . . 14.177 . 35.370 . 64.057 . 1.632 -0.043 -0.731 12 . 16984 AOS H1 . H1 . . H . . N 0 . . . . no no . . . . 14.438 . 33.636 . 67.602 . 0.230 -5.293 2.747 13 . 16984 AOS H2 . H2 . . H . . N 0 . . . . no no . . . . 14.689 . 30.754 . 67.754 . 1.876 -4.247 4.373 14 . 16984 AOS HO2 . HO2 . . H . . N 0 . . . . no no . . . . 15.726 . 31.004 . 65.285 . 0.905 -4.200 6.221 15 . 16984 AOS H3 . H3 . . H . . N 0 . . . . no no . . . . 12.756 . 31.569 . 66.785 . 1.512 -1.818 4.021 16 . 16984 AOS HO3 . HO3 . . H . . N 0 . . . . no no . . . . 13.560 . 30.781 . 64.310 . -0.755 -2.082 4.562 17 . 16984 AOS H4 . H4 . . H . . N 0 . . . . no no . . . . 13.628 . 33.726 . 65.990 . 0.475 -3.262 1.533 18 . 16984 AOS HO4 . HO4 . . H . . N 0 . . . . no no . . . . 11.529 . 32.976 . 65.377 . 3.121 -2.540 2.109 19 . 16984 AOS H5 . H5 . . H . . N 0 . . . . no no . . . . 14.562 . 32.072 . 63.611 . 1.851 -0.523 1.844 20 . 16984 AOS HO5 . HO5 . . H . . N 0 . . . . no no . . . . 16.483 . 33.246 . 64.111 . -0.696 -1.447 1.168 21 . 16984 AOS H61 . H61 . . H . . N 0 . . . . no no . . . . 14.997 . 34.267 . 62.518 . 0.992 -1.979 -0.737 22 . 16984 AOS H62 . H62 . . H . . N 0 . . . . no no . . . . 13.243 . 34.011 . 62.818 . 2.688 -1.723 -0.232 23 . 16984 AOS HO6 . HO6 . . H . . N 0 . . . . no no . . . . 14.167 . 35.154 . 64.982 . 1.468 0.578 -0.005 24 . 16984 AOS stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C1 O1 no N 1 . 16984 AOS 2 . SING C1 C2 no N 2 . 16984 AOS 3 . SING C1 H1 no N 3 . 16984 AOS 4 . SING C2 O2 no N 4 . 16984 AOS 5 . SING C2 C3 no N 5 . 16984 AOS 6 . SING C2 H2 no N 6 . 16984 AOS 7 . SING O2 HO2 no N 7 . 16984 AOS 8 . SING C3 O3 no N 8 . 16984 AOS 9 . SING C3 C4 no N 9 . 16984 AOS 10 . SING C3 H3 no N 10 . 16984 AOS 11 . SING O3 HO3 no N 11 . 16984 AOS 12 . SING C4 O4 no N 12 . 16984 AOS 13 . SING C4 C5 no N 13 . 16984 AOS 14 . SING C4 H4 no N 14 . 16984 AOS 15 . SING O4 HO4 no N 15 . 16984 AOS 16 . SING C5 O5 no N 16 . 16984 AOS 17 . SING C5 C6 no N 17 . 16984 AOS 18 . SING C5 H5 no N 18 . 16984 AOS 19 . SING O5 HO5 no N 19 . 16984 AOS 20 . SING C6 O6 no N 20 . 16984 AOS 21 . SING C6 H61 no N 21 . 16984 AOS 22 . SING C6 H62 no N 22 . 16984 AOS 23 . SING O6 HO6 no N 23 . 16984 AOS stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16984 _Sample.ID 1 _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 ALBP '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $ALBP . . 800 . . uM . . . . 16984 1 2 D-allose 'natural abundance' . . 2 $AOS . . 5 . . mM . . . . 16984 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 16984 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16984 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16984 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16984 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 16984 1 pH 7.1 . pH 16984 1 pressure 1 . atm 16984 1 temperature 310 . K 16984 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16984 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Zhengrong and Bax' . . 16984 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16984 1 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 16984 _NMR_spectrometer.ID 1 _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 16984 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 16984 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 16984 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16984 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16984 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16984 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16984 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16984 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16984 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16984 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 16984 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 16984 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 16984 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 16984 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 16984 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D HNCO' . . . 16984 1 3 '3D HNCA' . . . 16984 1 4 '3D HNCACB' . . . 16984 1 5 '3D HN(CO)CA' . . . 16984 1 6 '3D CBCA(CO)NH' . . . 16984 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA C C 13 171.429 0.4 . 1 . . . . 1 ALA C . 16984 1 2 . 1 1 1 1 ALA CA C 13 48.980 0.20 . 1 . . . . 1 ALA CA . 16984 1 3 . 1 1 1 1 ALA CB C 13 15.750 0.12 . 1 . . . . 1 ALA CB . 16984 1 4 . 1 1 2 2 ALA H H 1 8.356 0.03 . 1 . . . . 2 ALA H . 16984 1 5 . 1 1 2 2 ALA CA C 13 48.672 0.20 . 1 . . . . 2 ALA CA . 16984 1 6 . 1 1 2 2 ALA CB C 13 16.675 0.12 . 1 . . . . 2 ALA CB . 16984 1 7 . 1 1 2 2 ALA N N 15 123.042 0.25 . 1 . . . . 2 ALA N . 16984 1 8 . 1 1 3 3 GLU H H 1 8.200 0.03 . 1 . . . . 3 GLU H . 16984 1 9 . 1 1 3 3 GLU C C 13 172.754 0.4 . 1 . . . . 3 GLU C . 16984 1 10 . 1 1 3 3 GLU CA C 13 54.526 0.20 . 1 . . . . 3 GLU CA . 16984 1 11 . 1 1 3 3 GLU CB C 13 29.033 0.12 . 1 . . . . 3 GLU CB . 16984 1 12 . 1 1 3 3 GLU N N 15 117.869 0.25 . 1 . . . . 3 GLU N . 16984 1 13 . 1 1 4 4 TYR H H 1 7.833 0.03 . 1 . . . . 4 TYR H . 16984 1 14 . 1 1 4 4 TYR CA C 13 53.740 0.20 . 1 . . . . 4 TYR CA . 16984 1 15 . 1 1 4 4 TYR CB C 13 39.094 0.12 . 1 . . . . 4 TYR CB . 16984 1 16 . 1 1 4 4 TYR N N 15 113.678 0.25 . 1 . . . . 4 TYR N . 16984 1 17 . 1 1 5 5 ALA H H 1 8.398 0.03 . 1 . . . . 5 ALA H . 16984 1 18 . 1 1 5 5 ALA CA C 13 46.216 0.20 . 1 . . . . 5 ALA CA . 16984 1 19 . 1 1 5 5 ALA CB C 13 17.873 0.12 . 1 . . . . 5 ALA CB . 16984 1 20 . 1 1 5 5 ALA N N 15 121.292 0.25 . 1 . . . . 5 ALA N . 16984 1 21 . 1 1 6 6 VAL H H 1 8.841 0.03 . 1 . . . . 6 VAL H . 16984 1 22 . 1 1 6 6 VAL CA C 13 56.760 0.20 . 1 . . . . 6 VAL CA . 16984 1 23 . 1 1 6 6 VAL CB C 13 31.903 0.12 . 1 . . . . 6 VAL CB . 16984 1 24 . 1 1 6 6 VAL N N 15 117.727 0.25 . 1 . . . . 6 VAL N . 16984 1 25 . 1 1 7 7 VAL H H 1 9.259 0.03 . 1 . . . . 7 VAL H . 16984 1 26 . 1 1 7 7 VAL C C 13 173.625 0.4 . 1 . . . . 7 VAL C . 16984 1 27 . 1 1 7 7 VAL CA C 13 57.903 0.20 . 1 . . . . 7 VAL CA . 16984 1 28 . 1 1 7 7 VAL CB C 13 30.363 0.12 . 1 . . . . 7 VAL CB . 16984 1 29 . 1 1 7 7 VAL N N 15 126.856 0.25 . 1 . . . . 7 VAL N . 16984 1 30 . 1 1 8 8 LEU H H 1 9.114 0.03 . 1 . . . . 8 LEU H . 16984 1 31 . 1 1 8 8 LEU CA C 13 49.282 0.20 . 1 . . . . 8 LEU CA . 16984 1 32 . 1 1 8 8 LEU CB C 13 39.331 0.12 . 1 . . . . 8 LEU CB . 16984 1 33 . 1 1 8 8 LEU N N 15 124.648 0.25 . 1 . . . . 8 LEU N . 16984 1 34 . 1 1 10 10 THR CA C 13 56.700 0.20 . 1 . . . . 10 THR CA . 16984 1 35 . 1 1 10 10 THR CB C 13 65.500 0.12 . 1 . . . . 10 THR CB . 16984 1 36 . 1 1 11 11 LEU H H 1 8.173 0.03 . 1 . . . . 11 LEU H . 16984 1 37 . 1 1 11 11 LEU C C 13 172.754 0.4 . 1 . . . . 11 LEU C . 16984 1 38 . 1 1 11 11 LEU CA C 13 55.267 0.20 . 1 . . . . 11 LEU CA . 16984 1 39 . 1 1 11 11 LEU CB C 13 44.310 0.12 . 1 . . . . 11 LEU CB . 16984 1 40 . 1 1 11 11 LEU N N 15 125.228 0.25 . 1 . . . . 11 LEU N . 16984 1 41 . 1 1 12 12 SER H H 1 8.074 0.03 . 1 . . . . 12 SER H . 16984 1 42 . 1 1 12 12 SER C C 13 175.820 0.4 . 1 . . . . 12 SER C . 16984 1 43 . 1 1 12 12 SER CA C 13 56.566 0.20 . 1 . . . . 12 SER CA . 16984 1 44 . 1 1 12 12 SER CB C 13 60.331 0.12 . 1 . . . . 12 SER CB . 16984 1 45 . 1 1 12 12 SER N N 15 113.857 0.25 . 1 . . . . 12 SER N . 16984 1 46 . 1 1 13 13 ASN H H 1 7.088 0.03 . 1 . . . . 13 ASN H . 16984 1 47 . 1 1 13 13 ASN CA C 13 55.630 0.20 . 1 . . . . 13 ASN CA . 16984 1 48 . 1 1 13 13 ASN CB C 13 38.225 0.12 . 1 . . . . 13 ASN CB . 16984 1 49 . 1 1 13 13 ASN N N 15 120.921 0.25 . 1 . . . . 13 ASN N . 16984 1 50 . 1 1 14 14 PRO CA C 13 61.489 0.20 . 1 . . . . 14 PRO CA . 16984 1 51 . 1 1 14 14 PRO CB C 13 29.871 0.12 . 1 . . . . 14 PRO CB . 16984 1 52 . 1 1 15 15 PHE H H 1 8.227 0.03 . 1 . . . . 15 PHE H . 16984 1 53 . 1 1 15 15 PHE CA C 13 58.400 0.20 . 1 . . . . 15 PHE CA . 16984 1 54 . 1 1 15 15 PHE CB C 13 36.639 0.12 . 1 . . . . 15 PHE CB . 16984 1 55 . 1 1 15 15 PHE N N 15 119.690 0.25 . 1 . . . . 15 PHE N . 16984 1 56 . 1 1 16 16 TRP C C 13 170.124 0.4 . 1 . . . . 16 TRP C . 16984 1 57 . 1 1 16 16 TRP CA C 13 55.056 0.20 . 1 . . . . 16 TRP CA . 16984 1 58 . 1 1 17 17 VAL H H 1 7.198 0.03 . 1 . . . . 17 VAL H . 16984 1 59 . 1 1 17 17 VAL C C 13 169.709 0.4 . 1 . . . . 17 VAL C . 16984 1 60 . 1 1 17 17 VAL CA C 13 63.422 0.20 . 1 . . . . 17 VAL CA . 16984 1 61 . 1 1 17 17 VAL CB C 13 28.151 0.12 . 1 . . . . 17 VAL CB . 16984 1 62 . 1 1 17 17 VAL N N 15 120.904 0.25 . 1 . . . . 17 VAL N . 16984 1 63 . 1 1 18 18 ASP H H 1 7.918 0.03 . 1 . . . . 18 ASP H . 16984 1 64 . 1 1 18 18 ASP C C 13 168.813 0.4 . 1 . . . . 18 ASP C . 16984 1 65 . 1 1 18 18 ASP CA C 13 53.967 0.20 . 1 . . . . 18 ASP CA . 16984 1 66 . 1 1 18 18 ASP CB C 13 37.151 0.12 . 1 . . . . 18 ASP CB . 16984 1 67 . 1 1 18 18 ASP N N 15 120.356 0.25 . 1 . . . . 18 ASP N . 16984 1 68 . 1 1 19 19 MET H H 1 7.350 0.03 . 1 . . . . 19 MET H . 16984 1 69 . 1 1 19 19 MET C C 13 171.031 0.4 . 1 . . . . 19 MET C . 16984 1 70 . 1 1 19 19 MET CA C 13 56.581 0.20 . 1 . . . . 19 MET CA . 16984 1 71 . 1 1 19 19 MET CB C 13 27.798 0.12 . 1 . . . . 19 MET CB . 16984 1 72 . 1 1 19 19 MET N N 15 119.804 0.25 . 1 . . . . 19 MET N . 16984 1 73 . 1 1 20 20 LYS H H 1 8.195 0.03 . 1 . . . . 20 LYS H . 16984 1 74 . 1 1 20 20 LYS CA C 13 57.181 0.20 . 1 . . . . 20 LYS CA . 16984 1 75 . 1 1 20 20 LYS CB C 13 28.932 0.12 . 1 . . . . 20 LYS CB . 16984 1 76 . 1 1 20 20 LYS N N 15 119.750 0.25 . 1 . . . . 20 LYS N . 16984 1 77 . 1 1 21 21 LYS H H 1 7.792 0.03 . 1 . . . . 21 LYS H . 16984 1 78 . 1 1 21 21 LYS C C 13 169.693 0.4 . 1 . . . . 21 LYS C . 16984 1 79 . 1 1 21 21 LYS CA C 13 56.035 0.20 . 1 . . . . 21 LYS CA . 16984 1 80 . 1 1 21 21 LYS CB C 13 28.511 0.12 . 1 . . . . 21 LYS CB . 16984 1 81 . 1 1 21 21 LYS N N 15 118.161 0.25 . 1 . . . . 21 LYS N . 16984 1 82 . 1 1 22 22 GLY H H 1 7.901 0.03 . 1 . . . . 22 GLY H . 16984 1 83 . 1 1 22 22 GLY CA C 13 43.768 0.20 . 1 . . . . 22 GLY CA . 16984 1 84 . 1 1 22 22 GLY N N 15 104.356 0.25 . 1 . . . . 22 GLY N . 16984 1 85 . 1 1 23 23 ILE H H 1 8.486 0.03 . 1 . . . . 23 ILE H . 16984 1 86 . 1 1 23 23 ILE CA C 13 59.003 0.20 . 1 . . . . 23 ILE CA . 16984 1 87 . 1 1 23 23 ILE CB C 13 36.762 0.12 . 1 . . . . 23 ILE CB . 16984 1 88 . 1 1 23 23 ILE N N 15 118.985 0.25 . 1 . . . . 23 ILE N . 16984 1 89 . 1 1 24 24 GLU H H 1 8.609 0.03 . 1 . . . . 24 GLU H . 16984 1 90 . 1 1 24 24 GLU C C 13 167.962 0.4 . 1 . . . . 24 GLU C . 16984 1 91 . 1 1 24 24 GLU CA C 13 56.776 0.20 . 1 . . . . 24 GLU CA . 16984 1 92 . 1 1 24 24 GLU CB C 13 26.085 0.12 . 1 . . . . 24 GLU CB . 16984 1 93 . 1 1 24 24 GLU N N 15 118.129 0.25 . 1 . . . . 24 GLU N . 16984 1 94 . 1 1 25 25 ASP H H 1 8.569 0.03 . 1 . . . . 25 ASP H . 16984 1 95 . 1 1 25 25 ASP C C 13 169.231 0.4 . 1 . . . . 25 ASP C . 16984 1 96 . 1 1 25 25 ASP CA C 13 54.327 0.20 . 1 . . . . 25 ASP CA . 16984 1 97 . 1 1 25 25 ASP CB C 13 36.772 0.12 . 1 . . . . 25 ASP CB . 16984 1 98 . 1 1 25 25 ASP N N 15 119.533 0.25 . 1 . . . . 25 ASP N . 16984 1 99 . 1 1 26 26 GLU H H 1 7.930 0.03 . 1 . . . . 26 GLU H . 16984 1 100 . 1 1 26 26 GLU C C 13 170.186 0.4 . 1 . . . . 26 GLU C . 16984 1 101 . 1 1 26 26 GLU CA C 13 54.946 0.20 . 1 . . . . 26 GLU CA . 16984 1 102 . 1 1 26 26 GLU CB C 13 24.904 0.12 . 1 . . . . 26 GLU CB . 16984 1 103 . 1 1 26 26 GLU N N 15 122.594 0.25 . 1 . . . . 26 GLU N . 16984 1 104 . 1 1 27 27 ALA H H 1 8.909 0.03 . 1 . . . . 27 ALA H . 16984 1 105 . 1 1 27 27 ALA C C 13 168.405 0.4 . 1 . . . . 27 ALA C . 16984 1 106 . 1 1 27 27 ALA CA C 13 52.511 0.20 . 1 . . . . 27 ALA CA . 16984 1 107 . 1 1 27 27 ALA CB C 13 14.159 0.12 . 1 . . . . 27 ALA CB . 16984 1 108 . 1 1 27 27 ALA N N 15 122.066 0.25 . 1 . . . . 27 ALA N . 16984 1 109 . 1 1 28 28 LYS H H 1 7.475 0.03 . 1 . . . . 28 LYS H . 16984 1 110 . 1 1 28 28 LYS C C 13 168.374 0.4 . 1 . . . . 28 LYS C . 16984 1 111 . 1 1 28 28 LYS CA C 13 55.958 0.20 . 1 . . . . 28 LYS CA . 16984 1 112 . 1 1 28 28 LYS CB C 13 28.497 0.12 . 1 . . . . 28 LYS CB . 16984 1 113 . 1 1 28 28 LYS N N 15 116.310 0.25 . 1 . . . . 28 LYS N . 16984 1 114 . 1 1 29 29 THR H H 1 7.696 0.03 . 1 . . . . 29 THR H . 16984 1 115 . 1 1 29 29 THR CA C 13 62.879 0.20 . 1 . . . . 29 THR CA . 16984 1 116 . 1 1 29 29 THR CB C 13 65.385 0.12 . 1 . . . . 29 THR CB . 16984 1 117 . 1 1 29 29 THR N N 15 117.211 0.25 . 1 . . . . 29 THR N . 16984 1 118 . 1 1 30 30 LEU H H 1 8.459 0.03 . 1 . . . . 30 LEU H . 16984 1 119 . 1 1 30 30 LEU C C 13 170.571 0.4 . 1 . . . . 30 LEU C . 16984 1 120 . 1 1 30 30 LEU CA C 13 52.518 0.20 . 1 . . . . 30 LEU CA . 16984 1 121 . 1 1 30 30 LEU CB C 13 39.816 0.12 . 1 . . . . 30 LEU CB . 16984 1 122 . 1 1 30 30 LEU N N 15 118.945 0.25 . 1 . . . . 30 LEU N . 16984 1 123 . 1 1 31 31 GLY H H 1 8.077 0.03 . 1 . . . . 31 GLY H . 16984 1 124 . 1 1 31 31 GLY C C 13 172.766 0.4 . 1 . . . . 31 GLY C . 16984 1 125 . 1 1 31 31 GLY CA C 13 43.383 0.20 . 1 . . . . 31 GLY CA . 16984 1 126 . 1 1 31 31 GLY N N 15 108.544 0.25 . 1 . . . . 31 GLY N . 16984 1 127 . 1 1 32 32 VAL H H 1 8.801 0.03 . 1 . . . . 32 VAL H . 16984 1 128 . 1 1 32 32 VAL CA C 13 58.401 0.20 . 1 . . . . 32 VAL CA . 16984 1 129 . 1 1 32 32 VAL CB C 13 31.868 0.12 . 1 . . . . 32 VAL CB . 16984 1 130 . 1 1 32 32 VAL N N 15 117.633 0.25 . 1 . . . . 32 VAL N . 16984 1 131 . 1 1 33 33 SER H H 1 8.601 0.03 . 1 . . . . 33 SER H . 16984 1 132 . 1 1 33 33 SER C C 13 171.957 0.4 . 1 . . . . 33 SER C . 16984 1 133 . 1 1 33 33 SER CA C 13 53.343 0.20 . 1 . . . . 33 SER CA . 16984 1 134 . 1 1 33 33 SER CB C 13 61.924 0.12 . 1 . . . . 33 SER CB . 16984 1 135 . 1 1 33 33 SER N N 15 115.871 0.25 . 1 . . . . 33 SER N . 16984 1 136 . 1 1 34 34 VAL H H 1 8.473 0.03 . 1 . . . . 34 VAL H . 16984 1 137 . 1 1 34 34 VAL C C 13 174.344 0.4 . 1 . . . . 34 VAL C . 16984 1 138 . 1 1 34 34 VAL CA C 13 55.753 0.20 . 1 . . . . 34 VAL CA . 16984 1 139 . 1 1 34 34 VAL CB C 13 32.316 0.12 . 1 . . . . 34 VAL CB . 16984 1 140 . 1 1 34 34 VAL N N 15 118.964 0.25 . 1 . . . . 34 VAL N . 16984 1 141 . 1 1 35 35 ASP H H 1 8.694 0.03 . 1 . . . . 35 ASP H . 16984 1 142 . 1 1 35 35 ASP C C 13 174.063 0.4 . 1 . . . . 35 ASP C . 16984 1 143 . 1 1 35 35 ASP CA C 13 49.987 0.20 . 1 . . . . 35 ASP CA . 16984 1 144 . 1 1 35 35 ASP CB C 13 40.607 0.12 . 1 . . . . 35 ASP CB . 16984 1 145 . 1 1 35 35 ASP N N 15 127.000 0.25 . 1 . . . . 35 ASP N . 16984 1 146 . 1 1 36 36 ILE H H 1 8.306 0.03 . 1 . . . . 36 ILE H . 16984 1 147 . 1 1 36 36 ILE C C 13 174.063 0.4 . 1 . . . . 36 ILE C . 16984 1 148 . 1 1 36 36 ILE CA C 13 57.436 0.20 . 1 . . . . 36 ILE CA . 16984 1 149 . 1 1 36 36 ILE CB C 13 35.393 0.12 . 1 . . . . 36 ILE CB . 16984 1 150 . 1 1 36 36 ILE N N 15 121.468 0.25 . 1 . . . . 36 ILE N . 16984 1 151 . 1 1 37 37 PHE H H 1 9.260 0.03 . 1 . . . . 37 PHE H . 16984 1 152 . 1 1 37 37 PHE C C 13 174.813 0.4 . 1 . . . . 37 PHE C . 16984 1 153 . 1 1 37 37 PHE CA C 13 53.120 0.20 . 1 . . . . 37 PHE CA . 16984 1 154 . 1 1 37 37 PHE CB C 13 41.308 0.12 . 1 . . . . 37 PHE CB . 16984 1 155 . 1 1 37 37 PHE N N 15 125.996 0.25 . 1 . . . . 37 PHE N . 16984 1 156 . 1 1 38 38 ALA H H 1 8.609 0.03 . 1 . . . . 38 ALA H . 16984 1 157 . 1 1 38 38 ALA C C 13 172.759 0.4 . 1 . . . . 38 ALA C . 16984 1 158 . 1 1 38 38 ALA CA C 13 48.047 0.20 . 1 . . . . 38 ALA CA . 16984 1 159 . 1 1 38 38 ALA CB C 13 18.950 0.12 . 1 . . . . 38 ALA CB . 16984 1 160 . 1 1 38 38 ALA N N 15 119.850 0.25 . 1 . . . . 38 ALA N . 16984 1 161 . 1 1 39 39 SER H H 1 7.562 0.03 . 1 . . . . 39 SER H . 16984 1 162 . 1 1 39 39 SER CA C 13 55.368 0.20 . 1 . . . . 39 SER CA . 16984 1 163 . 1 1 39 39 SER CB C 13 59.770 0.12 . 1 . . . . 39 SER CB . 16984 1 164 . 1 1 39 39 SER N N 15 115.041 0.25 . 1 . . . . 39 SER N . 16984 1 165 . 1 1 40 40 PRO C C 13 171.878 0.4 . 1 . . . . 40 PRO C . 16984 1 166 . 1 1 40 40 PRO CA C 13 62.430 0.20 . 1 . . . . 40 PRO CA . 16984 1 167 . 1 1 40 40 PRO CB C 13 28.770 0.12 . 1 . . . . 40 PRO CB . 16984 1 168 . 1 1 41 41 SER H H 1 7.600 0.03 . 1 . . . . 41 SER H . 16984 1 169 . 1 1 41 41 SER CA C 13 53.922 0.20 . 1 . . . . 41 SER CA . 16984 1 170 . 1 1 41 41 SER CB C 13 63.143 0.12 . 1 . . . . 41 SER CB . 16984 1 171 . 1 1 41 41 SER N N 15 109.406 0.25 . 1 . . . . 41 SER N . 16984 1 172 . 1 1 42 42 GLU CA C 13 54.960 0.20 . 1 . . . . 42 GLU CA . 16984 1 173 . 1 1 42 42 GLU CB C 13 26.560 0.12 . 1 . . . . 42 GLU CB . 16984 1 174 . 1 1 43 43 GLY H H 1 7.356 0.03 . 1 . . . . 43 GLY H . 16984 1 175 . 1 1 43 43 GLY C C 13 173.184 0.4 . 1 . . . . 43 GLY C . 16984 1 176 . 1 1 43 43 GLY CA C 13 43.377 0.20 . 1 . . . . 43 GLY CA . 16984 1 177 . 1 1 43 43 GLY N N 15 102.933 0.25 . 1 . . . . 43 GLY N . 16984 1 178 . 1 1 44 44 ASP H H 1 7.903 0.03 . 1 . . . . 44 ASP H . 16984 1 179 . 1 1 44 44 ASP C C 13 174.070 0.4 . 1 . . . . 44 ASP C . 16984 1 180 . 1 1 44 44 ASP CA C 13 55.385 0.20 . 1 . . . . 44 ASP CA . 16984 1 181 . 1 1 44 44 ASP CB C 13 31.397 0.12 . 1 . . . . 44 ASP CB . 16984 1 182 . 1 1 44 44 ASP N N 15 110.806 0.25 . 1 . . . . 44 ASP N . 16984 1 183 . 1 1 45 45 PHE H H 1 8.609 0.03 . 1 . . . . 45 PHE H . 16984 1 184 . 1 1 45 45 PHE C C 13 174.508 0.4 . 1 . . . . 45 PHE C . 16984 1 185 . 1 1 45 45 PHE CA C 13 55.353 0.20 . 1 . . . . 45 PHE CA . 16984 1 186 . 1 1 45 45 PHE CB C 13 40.530 0.12 . 1 . . . . 45 PHE CB . 16984 1 187 . 1 1 45 45 PHE N N 15 115.731 0.25 . 1 . . . . 45 PHE N . 16984 1 188 . 1 1 46 46 GLN H H 1 9.277 0.03 . 1 . . . . 46 GLN H . 16984 1 189 . 1 1 46 46 GLN CA C 13 54.752 0.20 . 1 . . . . 46 GLN CA . 16984 1 190 . 1 1 46 46 GLN CB C 13 26.907 0.12 . 1 . . . . 46 GLN CB . 16984 1 191 . 1 1 46 46 GLN N N 15 113.949 0.25 . 1 . . . . 46 GLN N . 16984 1 192 . 1 1 51 51 LEU H H 1 8.180 0.03 . 1 . . . . 51 LEU H . 16984 1 193 . 1 1 51 51 LEU C C 13 169.311 0.4 . 1 . . . . 51 LEU C . 16984 1 194 . 1 1 51 51 LEU CA C 13 54.583 0.20 . 1 . . . . 51 LEU CA . 16984 1 195 . 1 1 51 51 LEU CB C 13 38.541 0.12 . 1 . . . . 51 LEU CB . 16984 1 196 . 1 1 51 51 LEU N N 15 120.391 0.25 . 1 . . . . 51 LEU N . 16984 1 197 . 1 1 52 52 PHE H H 1 8.484 0.03 . 1 . . . . 52 PHE H . 16984 1 198 . 1 1 52 52 PHE C C 13 169.693 0.4 . 1 . . . . 52 PHE C . 16984 1 199 . 1 1 52 52 PHE CA C 13 59.004 0.20 . 1 . . . . 52 PHE CA . 16984 1 200 . 1 1 52 52 PHE CB C 13 36.774 0.12 . 1 . . . . 52 PHE CB . 16984 1 201 . 1 1 52 52 PHE N N 15 119.235 0.25 . 1 . . . . 52 PHE N . 16984 1 202 . 1 1 53 53 GLU H H 1 8.612 0.03 . 1 . . . . 53 GLU H . 16984 1 203 . 1 1 53 53 GLU C C 13 169.226 0.4 . 1 . . . . 53 GLU C . 16984 1 204 . 1 1 53 53 GLU CA C 13 56.770 0.20 . 1 . . . . 53 GLU CA . 16984 1 205 . 1 1 53 53 GLU CB C 13 26.095 0.12 . 1 . . . . 53 GLU CB . 16984 1 206 . 1 1 53 53 GLU N N 15 118.093 0.25 . 1 . . . . 53 GLU N . 16984 1 207 . 1 1 54 54 ASP H H 1 8.100 0.03 . 1 . . . . 54 ASP H . 16984 1 208 . 1 1 54 54 ASP C C 13 168.821 0.4 . 1 . . . . 54 ASP C . 16984 1 209 . 1 1 54 54 ASP CA C 13 54.270 0.20 . 1 . . . . 54 ASP CA . 16984 1 210 . 1 1 54 54 ASP CB C 13 37.658 0.12 . 1 . . . . 54 ASP CB . 16984 1 211 . 1 1 54 54 ASP N N 15 119.436 0.25 . 1 . . . . 54 ASP N . 16984 1 212 . 1 1 55 55 LEU H H 1 8.201 0.03 . 1 . . . . 55 LEU H . 16984 1 213 . 1 1 55 55 LEU C C 13 168.374 0.4 . 1 . . . . 55 LEU C . 16984 1 214 . 1 1 55 55 LEU CA C 13 54.512 0.20 . 1 . . . . 55 LEU CA . 16984 1 215 . 1 1 55 55 LEU CB C 13 37.218 0.12 . 1 . . . . 55 LEU CB . 16984 1 216 . 1 1 55 55 LEU N N 15 117.834 0.25 . 1 . . . . 55 LEU N . 16984 1 217 . 1 1 56 56 SER H H 1 8.202 0.03 . 1 . . . . 56 SER H . 16984 1 218 . 1 1 56 56 SER CA C 13 57.907 0.20 . 1 . . . . 56 SER CA . 16984 1 219 . 1 1 56 56 SER CB C 13 59.637 0.12 . 1 . . . . 56 SER CB . 16984 1 220 . 1 1 56 56 SER N N 15 113.105 0.25 . 1 . . . . 56 SER N . 16984 1 221 . 1 1 58 58 LYS CA C 13 61.155 0.20 . 1 . . . . 58 LYS CA . 16984 1 222 . 1 1 58 58 LYS CB C 13 28.766 0.12 . 1 . . . . 58 LYS CB . 16984 1 223 . 1 1 59 59 ASN C C 13 172.731 0.4 . 1 . . . . 59 ASN C . 16984 1 224 . 1 1 59 59 ASN CA C 13 57.790 0.20 . 1 . . . . 59 ASN CA . 16984 1 225 . 1 1 59 59 ASN CB C 13 34.380 0.12 . 1 . . . . 59 ASN CB . 16984 1 226 . 1 1 60 60 TYR H H 1 7.600 0.03 . 1 . . . . 60 TYR H . 16984 1 227 . 1 1 60 60 TYR C C 13 174.066 0.4 . 1 . . . . 60 TYR C . 16984 1 228 . 1 1 60 60 TYR CA C 13 59.528 0.20 . 1 . . . . 60 TYR CA . 16984 1 229 . 1 1 60 60 TYR CB C 13 35.125 0.12 . 1 . . . . 60 TYR CB . 16984 1 230 . 1 1 60 60 TYR N N 15 121.900 0.25 . 1 . . . . 60 TYR N . 16984 1 231 . 1 1 61 61 LYS H H 1 9.023 0.03 . 1 . . . . 61 LYS H . 16984 1 232 . 1 1 61 61 LYS CA C 13 52.492 0.20 . 1 . . . . 61 LYS CA . 16984 1 233 . 1 1 61 61 LYS CB C 13 32.890 0.12 . 1 . . . . 61 LYS CB . 16984 1 234 . 1 1 61 61 LYS N N 15 121.514 0.25 . 1 . . . . 61 LYS N . 16984 1 235 . 1 1 64 64 ALA H H 1 8.895 0.03 . 1 . . . . 64 ALA H . 16984 1 236 . 1 1 64 64 ALA CA C 13 44.784 0.20 . 1 . . . . 64 ALA CA . 16984 1 237 . 1 1 64 64 ALA CB C 13 19.292 0.12 . 1 . . . . 64 ALA CB . 16984 1 238 . 1 1 64 64 ALA N N 15 130.460 0.25 . 1 . . . . 64 ALA N . 16984 1 239 . 1 1 67 67 PRO C C 13 172.758 0.4 . 1 . . . . 67 PRO C . 16984 1 240 . 1 1 67 67 PRO CA C 13 58.720 0.20 . 1 . . . . 67 PRO CA . 16984 1 241 . 1 1 67 67 PRO CB C 13 29.280 0.12 . 1 . . . . 67 PRO CB . 16984 1 242 . 1 1 68 68 LEU H H 1 8.950 0.03 . 1 . . . . 68 LEU H . 16984 1 243 . 1 1 68 68 LEU C C 13 169.307 0.4 . 1 . . . . 68 LEU C . 16984 1 244 . 1 1 68 68 LEU CA C 13 53.801 0.20 . 1 . . . . 68 LEU CA . 16984 1 245 . 1 1 68 68 LEU CB C 13 40.076 0.12 . 1 . . . . 68 LEU CB . 16984 1 246 . 1 1 68 68 LEU N N 15 117.245 0.25 . 1 . . . . 68 LEU N . 16984 1 247 . 1 1 69 69 SER H H 1 8.455 0.03 . 1 . . . . 69 SER H . 16984 1 248 . 1 1 69 69 SER CA C 13 52.477 0.20 . 1 . . . . 69 SER CA . 16984 1 249 . 1 1 69 69 SER CB C 13 63.647 0.12 . 1 . . . . 69 SER CB . 16984 1 250 . 1 1 69 69 SER N N 15 113.665 0.25 . 1 . . . . 69 SER N . 16984 1 251 . 1 1 70 70 SER CA C 13 58.310 0.20 . 1 . . . . 70 SER CA . 16984 1 252 . 1 1 71 71 VAL H H 1 7.470 0.03 . 1 . . . . 71 VAL H . 16984 1 253 . 1 1 71 71 VAL C C 13 170.136 0.4 . 1 . . . . 71 VAL C . 16984 1 254 . 1 1 71 71 VAL CA C 13 58.188 0.20 . 1 . . . . 71 VAL CA . 16984 1 255 . 1 1 71 71 VAL CB C 13 30.724 0.12 . 1 . . . . 71 VAL CB . 16984 1 256 . 1 1 71 71 VAL N N 15 110.003 0.25 . 1 . . . . 71 VAL N . 16984 1 257 . 1 1 72 72 ASN H H 1 8.153 0.03 . 1 . . . . 72 ASN H . 16984 1 258 . 1 1 72 72 ASN C C 13 172.318 0.4 . 1 . . . . 72 ASN C . 16984 1 259 . 1 1 72 72 ASN CA C 13 54.829 0.20 . 1 . . . . 72 ASN CA . 16984 1 260 . 1 1 72 72 ASN CB C 13 34.033 0.12 . 1 . . . . 72 ASN CB . 16984 1 261 . 1 1 72 72 ASN N N 15 122.566 0.25 . 1 . . . . 72 ASN N . 16984 1 262 . 1 1 73 73 LEU H H 1 8.642 0.03 . 1 . . . . 73 LEU H . 16984 1 263 . 1 1 73 73 LEU C C 13 172.719 0.4 . 1 . . . . 73 LEU C . 16984 1 264 . 1 1 73 73 LEU CA C 13 49.867 0.20 . 1 . . . . 73 LEU CA . 16984 1 265 . 1 1 73 73 LEU CB C 13 37.880 0.12 . 1 . . . . 73 LEU CB . 16984 1 266 . 1 1 73 73 LEU N N 15 115.605 0.25 . 1 . . . . 73 LEU N . 16984 1 267 . 1 1 74 74 VAL H H 1 7.126 0.03 . 1 . . . . 74 VAL H . 16984 1 268 . 1 1 74 74 VAL C C 13 172.337 0.4 . 1 . . . . 74 VAL C . 16984 1 269 . 1 1 74 74 VAL CA C 13 59.300 0.20 . 1 . . . . 74 VAL CA . 16984 1 270 . 1 1 74 74 VAL CB C 13 27.894 0.12 . 1 . . . . 74 VAL CB . 16984 1 271 . 1 1 74 74 VAL N N 15 118.761 0.25 . 1 . . . . 74 VAL N . 16984 1 272 . 1 1 75 75 MET H H 1 8.540 0.03 . 1 . . . . 75 MET H . 16984 1 273 . 1 1 75 75 MET CA C 13 55.565 0.20 . 1 . . . . 75 MET CA . 16984 1 274 . 1 1 75 75 MET CB C 13 34.680 0.12 . 1 . . . . 75 MET CB . 16984 1 275 . 1 1 75 75 MET N N 15 113.062 0.25 . 1 . . . . 75 MET N . 16984 1 276 . 1 1 77 77 VAL C C 13 171.479 0.4 . 1 . . . . 77 VAL C . 16984 1 277 . 1 1 77 77 VAL CA C 13 63.630 0.20 . 1 . . . . 77 VAL CA . 16984 1 278 . 1 1 78 78 ALA H H 1 8.160 0.03 . 1 . . . . 78 ALA H . 16984 1 279 . 1 1 78 78 ALA C C 13 168.377 0.4 . 1 . . . . 78 ALA C . 16984 1 280 . 1 1 78 78 ALA CA C 13 53.316 0.20 . 1 . . . . 78 ALA CA . 16984 1 281 . 1 1 78 78 ALA CB C 13 14.561 0.12 . 1 . . . . 78 ALA CB . 16984 1 282 . 1 1 78 78 ALA N N 15 122.094 0.25 . 1 . . . . 78 ALA N . 16984 1 283 . 1 1 79 79 ARG H H 1 7.953 0.03 . 1 . . . . 79 ARG H . 16984 1 284 . 1 1 79 79 ARG C C 13 169.231 0.4 . 1 . . . . 79 ARG C . 16984 1 285 . 1 1 79 79 ARG CA C 13 56.773 0.20 . 1 . . . . 79 ARG CA . 16984 1 286 . 1 1 79 79 ARG CB C 13 27.059 0.12 . 1 . . . . 79 ARG CB . 16984 1 287 . 1 1 79 79 ARG N N 15 115.325 0.25 . 1 . . . . 79 ARG N . 16984 1 288 . 1 1 80 80 ALA H H 1 8.242 0.03 . 1 . . . . 80 ALA H . 16984 1 289 . 1 1 80 80 ALA CA C 13 51.940 0.20 . 1 . . . . 80 ALA CA . 16984 1 290 . 1 1 80 80 ALA CB C 13 14.832 0.12 . 1 . . . . 80 ALA CB . 16984 1 291 . 1 1 80 80 ALA N N 15 122.068 0.25 . 1 . . . . 80 ALA N . 16984 1 292 . 1 1 81 81 TRP C C 13 169.345 0.4 . 1 . . . . 81 TRP C . 16984 1 293 . 1 1 81 81 TRP CB C 13 37.290 0.12 . 1 . . . . 81 TRP CB . 16984 1 294 . 1 1 82 82 LYS H H 1 8.328 0.03 . 1 . . . . 82 LYS H . 16984 1 295 . 1 1 82 82 LYS C C 13 170.133 0.4 . 1 . . . . 82 LYS C . 16984 1 296 . 1 1 82 82 LYS CA C 13 56.290 0.20 . 1 . . . . 82 LYS CA . 16984 1 297 . 1 1 82 82 LYS CB C 13 29.669 0.12 . 1 . . . . 82 LYS CB . 16984 1 298 . 1 1 82 82 LYS N N 15 119.433 0.25 . 1 . . . . 82 LYS N . 16984 1 299 . 1 1 83 83 LYS H H 1 7.507 0.03 . 1 . . . . 83 LYS H . 16984 1 300 . 1 1 83 83 LYS C C 13 171.862 0.4 . 1 . . . . 83 LYS C . 16984 1 301 . 1 1 83 83 LYS CA C 13 53.355 0.20 . 1 . . . . 83 LYS CA . 16984 1 302 . 1 1 83 83 LYS CB C 13 29.462 0.12 . 1 . . . . 83 LYS CB . 16984 1 303 . 1 1 83 83 LYS N N 15 116.527 0.25 . 1 . . . . 83 LYS N . 16984 1 304 . 1 1 84 84 GLY H H 1 7.930 0.03 . 1 . . . . 84 GLY H . 16984 1 305 . 1 1 84 84 GLY C C 13 174.508 0.4 . 1 . . . . 84 GLY C . 16984 1 306 . 1 1 84 84 GLY CA C 13 42.361 0.20 . 1 . . . . 84 GLY CA . 16984 1 307 . 1 1 84 84 GLY N N 15 107.714 0.25 . 1 . . . . 84 GLY N . 16984 1 308 . 1 1 85 85 ILE H H 1 7.463 0.03 . 1 . . . . 85 ILE H . 16984 1 309 . 1 1 85 85 ILE C C 13 174.065 0.4 . 1 . . . . 85 ILE C . 16984 1 310 . 1 1 85 85 ILE CA C 13 58.399 0.20 . 1 . . . . 85 ILE CA . 16984 1 311 . 1 1 85 85 ILE CB C 13 34.784 0.12 . 1 . . . . 85 ILE CB . 16984 1 312 . 1 1 85 85 ILE N N 15 121.683 0.25 . 1 . . . . 85 ILE N . 16984 1 313 . 1 1 86 86 TYR H H 1 7.802 0.03 . 1 . . . . 86 TYR H . 16984 1 314 . 1 1 86 86 TYR C C 13 173.022 0.4 . 1 . . . . 86 TYR C . 16984 1 315 . 1 1 86 86 TYR CA C 13 56.173 0.20 . 1 . . . . 86 TYR CA . 16984 1 316 . 1 1 86 86 TYR CB C 13 34.783 0.12 . 1 . . . . 86 TYR CB . 16984 1 317 . 1 1 86 86 TYR N N 15 124.589 0.25 . 1 . . . . 86 TYR N . 16984 1 318 . 1 1 87 87 LEU H H 1 9.571 0.03 . 1 . . . . 87 LEU H . 16984 1 319 . 1 1 87 87 LEU CA C 13 51.286 0.20 . 1 . . . . 87 LEU CA . 16984 1 320 . 1 1 87 87 LEU CB C 13 43.346 0.12 . 1 . . . . 87 LEU CB . 16984 1 321 . 1 1 87 87 LEU N N 15 127.884 0.25 . 1 . . . . 87 LEU N . 16984 1 322 . 1 1 88 88 VAL C C 13 173.139 0.4 . 1 . . . . 88 VAL C . 16984 1 323 . 1 1 88 88 VAL CA C 13 57.810 0.20 . 1 . . . . 88 VAL CA . 16984 1 324 . 1 1 88 88 VAL CB C 13 32.770 0.12 . 1 . . . . 88 VAL CB . 16984 1 325 . 1 1 89 89 ASN H H 1 8.785 0.03 . 1 . . . . 89 ASN H . 16984 1 326 . 1 1 89 89 ASN CA C 13 47.377 0.20 . 1 . . . . 89 ASN CA . 16984 1 327 . 1 1 89 89 ASN CB C 13 38.377 0.12 . 1 . . . . 89 ASN CB . 16984 1 328 . 1 1 89 89 ASN N N 15 126.291 0.25 . 1 . . . . 89 ASN N . 16984 1 329 . 1 1 90 90 LEU H H 1 9.059 0.03 . 1 . . . . 90 LEU H . 16984 1 330 . 1 1 90 90 LEU C C 13 170.569 0.4 . 1 . . . . 90 LEU C . 16984 1 331 . 1 1 90 90 LEU CA C 13 50.486 0.20 . 1 . . . . 90 LEU CA . 16984 1 332 . 1 1 90 90 LEU CB C 13 40.272 0.12 . 1 . . . . 90 LEU CB . 16984 1 333 . 1 1 90 90 LEU N N 15 127.297 0.25 . 1 . . . . 90 LEU N . 16984 1 334 . 1 1 91 91 ASP H H 1 9.669 0.03 . 1 . . . . 91 ASP H . 16984 1 335 . 1 1 91 91 ASP C C 13 174.876 0.4 . 1 . . . . 91 ASP C . 16984 1 336 . 1 1 91 91 ASP CA C 13 57.999 0.20 . 1 . . . . 91 ASP CA . 16984 1 337 . 1 1 91 91 ASP CB C 13 40.511 0.12 . 1 . . . . 91 ASP CB . 16984 1 338 . 1 1 91 91 ASP N N 15 116.180 0.25 . 1 . . . . 91 ASP N . 16984 1 339 . 1 1 92 92 GLU H H 1 10.005 0.03 . 1 . . . . 92 GLU H . 16984 1 340 . 1 1 92 92 GLU C C 13 172.960 0.4 . 1 . . . . 92 GLU C . 16984 1 341 . 1 1 92 92 GLU CA C 13 51.697 0.20 . 1 . . . . 92 GLU CA . 16984 1 342 . 1 1 92 92 GLU CB C 13 29.023 0.12 . 1 . . . . 92 GLU CB . 16984 1 343 . 1 1 92 92 GLU N N 15 130.448 0.25 . 1 . . . . 92 GLU N . 16984 1 344 . 1 1 93 93 LYS H H 1 8.542 0.03 . 1 . . . . 93 LYS H . 16984 1 345 . 1 1 93 93 LYS C C 13 170.908 0.4 . 1 . . . . 93 LYS C . 16984 1 346 . 1 1 93 93 LYS CA C 13 55.346 0.20 . 1 . . . . 93 LYS CA . 16984 1 347 . 1 1 93 93 LYS CB C 13 29.744 0.12 . 1 . . . . 93 LYS CB . 16984 1 348 . 1 1 93 93 LYS N N 15 128.844 0.25 . 1 . . . . 93 LYS N . 16984 1 349 . 1 1 94 94 ILE H H 1 8.894 0.03 . 1 . . . . 94 ILE H . 16984 1 350 . 1 1 94 94 ILE C C 13 175.813 0.4 . 1 . . . . 94 ILE C . 16984 1 351 . 1 1 94 94 ILE CA C 13 58.388 0.20 . 1 . . . . 94 ILE CA . 16984 1 352 . 1 1 94 94 ILE CB C 13 36.642 0.12 . 1 . . . . 94 ILE CB . 16984 1 353 . 1 1 94 94 ILE N N 15 130.737 0.25 . 1 . . . . 94 ILE N . 16984 1 354 . 1 1 95 95 ASP H H 1 7.997 0.03 . 1 . . . . 95 ASP H . 16984 1 355 . 1 1 95 95 ASP C C 13 172.253 0.4 . 1 . . . . 95 ASP C . 16984 1 356 . 1 1 95 95 ASP CA C 13 51.251 0.20 . 1 . . . . 95 ASP CA . 16984 1 357 . 1 1 95 95 ASP CB C 13 37.758 0.12 . 1 . . . . 95 ASP CB . 16984 1 358 . 1 1 95 95 ASP N N 15 121.711 0.25 . 1 . . . . 95 ASP N . 16984 1 359 . 1 1 96 96 MET H H 1 8.269 0.03 . 1 . . . . 96 MET H . 16984 1 360 . 1 1 96 96 MET C C 13 169.240 0.4 . 1 . . . . 96 MET C . 16984 1 361 . 1 1 96 96 MET CA C 13 53.119 0.20 . 1 . . . . 96 MET CA . 16984 1 362 . 1 1 96 96 MET CB C 13 27.154 0.12 . 1 . . . . 96 MET CB . 16984 1 363 . 1 1 96 96 MET N N 15 129.321 0.25 . 1 . . . . 96 MET N . 16984 1 364 . 1 1 97 97 ASP H H 1 8.213 0.03 . 1 . . . . 97 ASP H . 16984 1 365 . 1 1 97 97 ASP C C 13 173.189 0.4 . 1 . . . . 97 ASP C . 16984 1 366 . 1 1 97 97 ASP CA C 13 54.358 0.20 . 1 . . . . 97 ASP CA . 16984 1 367 . 1 1 97 97 ASP CB C 13 37.297 0.12 . 1 . . . . 97 ASP CB . 16984 1 368 . 1 1 97 97 ASP N N 15 120.962 0.25 . 1 . . . . 97 ASP N . 16984 1 369 . 1 1 98 98 ASN H H 1 8.336 0.03 . 1 . . . . 98 ASN H . 16984 1 370 . 1 1 98 98 ASN C C 13 170.126 0.4 . 1 . . . . 98 ASN C . 16984 1 371 . 1 1 98 98 ASN CA C 13 52.713 0.20 . 1 . . . . 98 ASN CA . 16984 1 372 . 1 1 98 98 ASN CB C 13 35.117 0.12 . 1 . . . . 98 ASN CB . 16984 1 373 . 1 1 98 98 ASN N N 15 119.002 0.25 . 1 . . . . 98 ASN N . 16984 1 374 . 1 1 99 99 LEU H H 1 8.649 0.03 . 1 . . . . 99 LEU H . 16984 1 375 . 1 1 99 99 LEU C C 13 171.305 0.4 . 1 . . . . 99 LEU C . 16984 1 376 . 1 1 99 99 LEU CA C 13 55.326 0.20 . 1 . . . . 99 LEU CA . 16984 1 377 . 1 1 99 99 LEU CB C 13 38.247 0.12 . 1 . . . . 99 LEU CB . 16984 1 378 . 1 1 99 99 LEU N N 15 122.429 0.25 . 1 . . . . 99 LEU N . 16984 1 379 . 1 1 100 100 LYS H H 1 8.188 0.03 . 1 . . . . 100 LYS H . 16984 1 380 . 1 1 100 100 LYS C C 13 166.633 0.4 . 1 . . . . 100 LYS C . 16984 1 381 . 1 1 100 100 LYS CA C 13 56.369 0.20 . 1 . . . . 100 LYS CA . 16984 1 382 . 1 1 100 100 LYS CB C 13 27.880 0.12 . 1 . . . . 100 LYS CB . 16984 1 383 . 1 1 100 100 LYS N N 15 119.223 0.25 . 1 . . . . 100 LYS N . 16984 1 384 . 1 1 101 101 LYS H H 1 7.691 0.03 . 1 . . . . 101 LYS H . 16984 1 385 . 1 1 101 101 LYS C C 13 171.140 0.4 . 1 . . . . 101 LYS C . 16984 1 386 . 1 1 101 101 LYS CA C 13 56.347 0.20 . 1 . . . . 101 LYS CA . 16984 1 387 . 1 1 101 101 LYS CB C 13 28.902 0.12 . 1 . . . . 101 LYS CB . 16984 1 388 . 1 1 101 101 LYS N N 15 120.405 0.25 . 1 . . . . 101 LYS N . 16984 1 389 . 1 1 102 102 ALA H H 1 7.629 0.03 . 1 . . . . 102 ALA H . 16984 1 390 . 1 1 102 102 ALA C C 13 171.443 0.4 . 1 . . . . 102 ALA C . 16984 1 391 . 1 1 102 102 ALA CA C 13 49.255 0.20 . 1 . . . . 102 ALA CA . 16984 1 392 . 1 1 102 102 ALA CB C 13 15.470 0.12 . 1 . . . . 102 ALA CB . 16984 1 393 . 1 1 102 102 ALA N N 15 120.108 0.25 . 1 . . . . 102 ALA N . 16984 1 394 . 1 1 103 103 GLY H H 1 7.860 0.03 . 1 . . . . 103 GLY H . 16984 1 395 . 1 1 103 103 GLY C C 13 175.381 0.4 . 1 . . . . 103 GLY C . 16984 1 396 . 1 1 103 103 GLY CA C 13 42.762 0.20 . 1 . . . . 103 GLY CA . 16984 1 397 . 1 1 103 103 GLY N N 15 106.034 0.25 . 1 . . . . 103 GLY N . 16984 1 398 . 1 1 104 104 GLY H H 1 7.516 0.03 . 1 . . . . 104 GLY H . 16984 1 399 . 1 1 104 104 GLY C C 13 166.167 0.4 . 1 . . . . 104 GLY C . 16984 1 400 . 1 1 104 104 GLY CA C 13 40.312 0.20 . 1 . . . . 104 GLY CA . 16984 1 401 . 1 1 104 104 GLY N N 15 103.504 0.25 . 1 . . . . 104 GLY N . 16984 1 402 . 1 1 105 105 ASN H H 1 6.158 0.03 . 1 . . . . 105 ASN H . 16984 1 403 . 1 1 105 105 ASN CA C 13 46.817 0.20 . 1 . . . . 105 ASN CA . 16984 1 404 . 1 1 105 105 ASN CB C 13 37.577 0.12 . 1 . . . . 105 ASN CB . 16984 1 405 . 1 1 105 105 ASN N N 15 111.080 0.25 . 1 . . . . 105 ASN N . 16984 1 406 . 1 1 107 107 GLU C C 13 170.975 0.4 . 1 . . . . 107 GLU C . 16984 1 407 . 1 1 108 108 ALA H H 1 7.355 0.03 . 1 . . . . 108 ALA H . 16984 1 408 . 1 1 108 108 ALA C C 13 174.067 0.4 . 1 . . . . 108 ALA C . 16984 1 409 . 1 1 108 108 ALA CA C 13 47.391 0.20 . 1 . . . . 108 ALA CA . 16984 1 410 . 1 1 108 108 ALA CB C 13 20.546 0.12 . 1 . . . . 108 ALA CB . 16984 1 411 . 1 1 108 108 ALA N N 15 111.067 0.25 . 1 . . . . 108 ALA N . 16984 1 412 . 1 1 109 109 PHE H H 1 8.897 0.03 . 1 . . . . 109 PHE H . 16984 1 413 . 1 1 109 109 PHE CA C 13 51.094 0.20 . 1 . . . . 109 PHE CA . 16984 1 414 . 1 1 109 109 PHE CB C 13 38.551 0.12 . 1 . . . . 109 PHE CB . 16984 1 415 . 1 1 109 109 PHE N N 15 121.115 0.25 . 1 . . . . 109 PHE N . 16984 1 416 . 1 1 110 110 VAL CA C 13 56.250 0.20 . 1 . . . . 110 VAL CA . 16984 1 417 . 1 1 110 110 VAL CB C 13 29.940 0.12 . 1 . . . . 110 VAL CB . 16984 1 418 . 1 1 111 111 THR H H 1 8.271 0.03 . 1 . . . . 111 THR H . 16984 1 419 . 1 1 111 111 THR C C 13 177.123 0.4 . 1 . . . . 111 THR C . 16984 1 420 . 1 1 111 111 THR CA C 13 56.369 0.20 . 1 . . . . 111 THR CA . 16984 1 421 . 1 1 111 111 THR CB C 13 66.223 0.12 . 1 . . . . 111 THR CB . 16984 1 422 . 1 1 111 111 THR N N 15 120.924 0.25 . 1 . . . . 111 THR N . 16984 1 423 . 1 1 112 112 THR H H 1 8.419 0.03 . 1 . . . . 112 THR H . 16984 1 424 . 1 1 112 112 THR C C 13 174.066 0.4 . 1 . . . . 112 THR C . 16984 1 425 . 1 1 112 112 THR CA C 13 58.604 0.20 . 1 . . . . 112 THR CA . 16984 1 426 . 1 1 112 112 THR CB C 13 65.352 0.12 . 1 . . . . 112 THR CB . 16984 1 427 . 1 1 112 112 THR N N 15 121.736 0.25 . 1 . . . . 112 THR N . 16984 1 428 . 1 1 113 113 ASP H H 1 8.542 0.03 . 1 . . . . 113 ASP H . 16984 1 429 . 1 1 113 113 ASP C C 13 172.431 0.4 . 1 . . . . 113 ASP C . 16984 1 430 . 1 1 113 113 ASP CA C 13 50.479 0.20 . 1 . . . . 113 ASP CA . 16984 1 431 . 1 1 113 113 ASP CB C 13 35.515 0.12 . 1 . . . . 113 ASP CB . 16984 1 432 . 1 1 113 113 ASP N N 15 120.717 0.25 . 1 . . . . 113 ASP N . 16984 1 433 . 1 1 114 114 ASN H H 1 8.161 0.03 . 1 . . . . 114 ASN H . 16984 1 434 . 1 1 114 114 ASN C C 13 171.459 0.4 . 1 . . . . 114 ASN C . 16984 1 435 . 1 1 114 114 ASN CA C 13 53.694 0.20 . 1 . . . . 114 ASN CA . 16984 1 436 . 1 1 114 114 ASN CB C 13 38.458 0.12 . 1 . . . . 114 ASN CB . 16984 1 437 . 1 1 114 114 ASN N N 15 129.083 0.25 . 1 . . . . 114 ASN N . 16984 1 438 . 1 1 115 115 VAL H H 1 7.993 0.03 . 1 . . . . 115 VAL H . 16984 1 439 . 1 1 115 115 VAL C C 13 170.122 0.4 . 1 . . . . 115 VAL C . 16984 1 440 . 1 1 115 115 VAL CA C 13 62.668 0.20 . 1 . . . . 115 VAL CA . 16984 1 441 . 1 1 115 115 VAL CB C 13 27.953 0.12 . 1 . . . . 115 VAL CB . 16984 1 442 . 1 1 115 115 VAL N N 15 123.356 0.25 . 1 . . . . 115 VAL N . 16984 1 443 . 1 1 116 116 ALA H H 1 7.341 0.03 . 1 . . . . 116 ALA H . 16984 1 444 . 1 1 116 116 ALA C C 13 167.937 0.4 . 1 . . . . 116 ALA C . 16984 1 445 . 1 1 116 116 ALA CA C 13 51.078 0.20 . 1 . . . . 116 ALA CA . 16984 1 446 . 1 1 116 116 ALA CB C 13 14.538 0.12 . 1 . . . . 116 ALA CB . 16984 1 447 . 1 1 116 116 ALA N N 15 120.659 0.25 . 1 . . . . 116 ALA N . 16984 1 448 . 1 1 117 117 VAL H H 1 7.643 0.03 . 1 . . . . 117 VAL H . 16984 1 449 . 1 1 117 117 VAL C C 13 171.012 0.4 . 1 . . . . 117 VAL C . 16984 1 450 . 1 1 117 117 VAL CA C 13 63.479 0.20 . 1 . . . . 117 VAL CA . 16984 1 451 . 1 1 117 117 VAL CB C 13 28.132 0.12 . 1 . . . . 117 VAL CB . 16984 1 452 . 1 1 117 117 VAL N N 15 117.844 0.25 . 1 . . . . 117 VAL N . 16984 1 453 . 1 1 118 118 GLY H H 1 7.505 0.03 . 1 . . . . 118 GLY H . 16984 1 454 . 1 1 118 118 GLY CA C 13 43.974 0.20 . 1 . . . . 118 GLY CA . 16984 1 455 . 1 1 118 118 GLY N N 15 103.811 0.25 . 1 . . . . 118 GLY N . 16984 1 456 . 1 1 119 119 ALA H H 1 8.286 0.03 . 1 . . . . 119 ALA H . 16984 1 457 . 1 1 119 119 ALA C C 13 167.502 0.4 . 1 . . . . 119 ALA C . 16984 1 458 . 1 1 119 119 ALA CA C 13 52.099 0.20 . 1 . . . . 119 ALA CA . 16984 1 459 . 1 1 119 119 ALA CB C 13 14.739 0.12 . 1 . . . . 119 ALA CB . 16984 1 460 . 1 1 119 119 ALA N N 15 122.113 0.25 . 1 . . . . 119 ALA N . 16984 1 461 . 1 1 120 120 LYS H H 1 8.734 0.03 . 1 . . . . 120 LYS H . 16984 1 462 . 1 1 120 120 LYS C C 13 170.569 0.4 . 1 . . . . 120 LYS C . 16984 1 463 . 1 1 120 120 LYS CA C 13 56.373 0.20 . 1 . . . . 120 LYS CA . 16984 1 464 . 1 1 120 120 LYS CB C 13 29.449 0.12 . 1 . . . . 120 LYS CB . 16984 1 465 . 1 1 120 120 LYS N N 15 120.373 0.25 . 1 . . . . 120 LYS N . 16984 1 466 . 1 1 121 121 GLY H H 1 7.982 0.03 . 1 . . . . 121 GLY H . 16984 1 467 . 1 1 121 121 GLY CA C 13 41.338 0.20 . 1 . . . . 121 GLY CA . 16984 1 468 . 1 1 121 121 GLY N N 15 102.863 0.25 . 1 . . . . 121 GLY N . 16984 1 469 . 1 1 126 126 ILE C C 13 168.840 0.4 . 1 . . . . 126 ILE C . 16984 1 470 . 1 1 126 126 ILE CA C 13 62.736 0.20 . 1 . . . . 126 ILE CA . 16984 1 471 . 1 1 126 126 ILE CB C 13 34.978 0.12 . 1 . . . . 126 ILE CB . 16984 1 472 . 1 1 127 127 ASP H H 1 8.067 0.03 . 1 . . . . 127 ASP H . 16984 1 473 . 1 1 127 127 ASP C C 13 169.267 0.4 . 1 . . . . 127 ASP C . 16984 1 474 . 1 1 127 127 ASP CA C 13 54.142 0.20 . 1 . . . . 127 ASP CA . 16984 1 475 . 1 1 127 127 ASP CB C 13 37.583 0.12 . 1 . . . . 127 ASP CB . 16984 1 476 . 1 1 127 127 ASP N N 15 119.908 0.25 . 1 . . . . 127 ASP N . 16984 1 477 . 1 1 128 128 LYS H H 1 7.912 0.03 . 1 . . . . 128 LYS H . 16984 1 478 . 1 1 128 128 LYS C C 13 169.236 0.4 . 1 . . . . 128 LYS C . 16984 1 479 . 1 1 128 128 LYS CA C 13 53.856 0.20 . 1 . . . . 128 LYS CA . 16984 1 480 . 1 1 128 128 LYS CB C 13 28.136 0.12 . 1 . . . . 128 LYS CB . 16984 1 481 . 1 1 128 128 LYS N N 15 118.083 0.25 . 1 . . . . 128 LYS N . 16984 1 482 . 1 1 129 129 LEU H H 1 8.245 0.03 . 1 . . . . 129 LEU H . 16984 1 483 . 1 1 129 129 LEU C C 13 169.253 0.4 . 1 . . . . 129 LEU C . 16984 1 484 . 1 1 129 129 LEU CA C 13 53.017 0.20 . 1 . . . . 129 LEU CA . 16984 1 485 . 1 1 129 129 LEU CB C 13 37.349 0.12 . 1 . . . . 129 LEU CB . 16984 1 486 . 1 1 129 129 LEU N N 15 117.082 0.25 . 1 . . . . 129 LEU N . 16984 1 487 . 1 1 130 130 GLY H H 1 7.358 0.03 . 1 . . . . 130 GLY H . 16984 1 488 . 1 1 130 130 GLY CA C 13 42.351 0.20 . 1 . . . . 130 GLY CA . 16984 1 489 . 1 1 130 130 GLY N N 15 104.060 0.25 . 1 . . . . 130 GLY N . 16984 1 490 . 1 1 131 131 ALA C C 13 168.813 0.4 . 1 . . . . 131 ALA C . 16984 1 491 . 1 1 131 131 ALA CA C 13 51.570 0.20 . 1 . . . . 131 ALA CA . 16984 1 492 . 1 1 131 131 ALA CB C 13 15.140 0.12 . 1 . . . . 131 ALA CB . 16984 1 493 . 1 1 132 132 GLU H H 1 8.525 0.03 . 1 . . . . 132 GLU H . 16984 1 494 . 1 1 132 132 GLU C C 13 170.128 0.4 . 1 . . . . 132 GLU C . 16984 1 495 . 1 1 132 132 GLU CA C 13 55.145 0.20 . 1 . . . . 132 GLU CA . 16984 1 496 . 1 1 132 132 GLU CB C 13 26.399 0.12 . 1 . . . . 132 GLU CB . 16984 1 497 . 1 1 132 132 GLU N N 15 114.061 0.25 . 1 . . . . 132 GLU N . 16984 1 498 . 1 1 133 133 GLY H H 1 7.245 0.03 . 1 . . . . 133 GLY H . 16984 1 499 . 1 1 133 133 GLY C C 13 175.816 0.4 . 1 . . . . 133 GLY C . 16984 1 500 . 1 1 133 133 GLY CA C 13 42.577 0.20 . 1 . . . . 133 GLY CA . 16984 1 501 . 1 1 133 133 GLY N N 15 103.487 0.25 . 1 . . . . 133 GLY N . 16984 1 502 . 1 1 134 134 GLY H H 1 8.039 0.03 . 1 . . . . 134 GLY H . 16984 1 503 . 1 1 134 134 GLY C C 13 173.619 0.4 . 1 . . . . 134 GLY C . 16984 1 504 . 1 1 134 134 GLY CA C 13 41.154 0.20 . 1 . . . . 134 GLY CA . 16984 1 505 . 1 1 134 134 GLY N N 15 108.536 0.25 . 1 . . . . 134 GLY N . 16984 1 506 . 1 1 135 135 GLU H H 1 8.492 0.03 . 1 . . . . 135 GLU H . 16984 1 507 . 1 1 135 135 GLU CA C 13 51.900 0.20 . 1 . . . . 135 GLU CA . 16984 1 508 . 1 1 135 135 GLU CB C 13 27.721 0.12 . 1 . . . . 135 GLU CB . 16984 1 509 . 1 1 135 135 GLU N N 15 118.679 0.25 . 1 . . . . 135 GLU N . 16984 1 510 . 1 1 137 137 ALA C C 13 169.247 0.4 . 1 . . . . 137 ALA C . 16984 1 511 . 1 1 137 137 ALA CA C 13 51.400 0.20 . 1 . . . . 137 ALA CA . 16984 1 512 . 1 1 137 137 ALA CB C 13 16.180 0.12 . 1 . . . . 137 ALA CB . 16984 1 513 . 1 1 138 138 ILE H H 1 8.737 0.03 . 1 . . . . 138 ILE H . 16984 1 514 . 1 1 138 138 ILE CA C 13 59.411 0.20 . 1 . . . . 138 ILE CA . 16984 1 515 . 1 1 138 138 ILE CB C 13 37.867 0.12 . 1 . . . . 138 ILE CB . 16984 1 516 . 1 1 138 138 ILE N N 15 113.628 0.25 . 1 . . . . 138 ILE N . 16984 1 517 . 1 1 139 139 ILE C C 13 172.731 0.4 . 1 . . . . 139 ILE C . 16984 1 518 . 1 1 139 139 ILE CA C 13 54.600 0.20 . 1 . . . . 139 ILE CA . 16984 1 519 . 1 1 139 139 ILE CB C 13 32.900 0.12 . 1 . . . . 139 ILE CB . 16984 1 520 . 1 1 140 140 GLU H H 1 8.434 0.03 . 1 . . . . 140 GLU H . 16984 1 521 . 1 1 140 140 GLU C C 13 171.453 0.4 . 1 . . . . 140 GLU C . 16984 1 522 . 1 1 140 140 GLU CA C 13 51.401 0.20 . 1 . . . . 140 GLU CA . 16984 1 523 . 1 1 140 140 GLU CB C 13 27.754 0.12 . 1 . . . . 140 GLU CB . 16984 1 524 . 1 1 140 140 GLU N N 15 125.511 0.25 . 1 . . . . 140 GLU N . 16984 1 525 . 1 1 141 141 GLY H H 1 7.491 0.03 . 1 . . . . 141 GLY H . 16984 1 526 . 1 1 141 141 GLY CA C 13 39.901 0.20 . 1 . . . . 141 GLY CA . 16984 1 527 . 1 1 141 141 GLY N N 15 104.789 0.25 . 1 . . . . 141 GLY N . 16984 1 528 . 1 1 142 142 LYS C C 13 171.578 0.4 . 1 . . . . 142 LYS C . 16984 1 529 . 1 1 142 142 LYS CA C 13 56.660 0.20 . 1 . . . . 142 LYS CA . 16984 1 530 . 1 1 142 142 LYS CB C 13 29.580 0.12 . 1 . . . . 142 LYS CB . 16984 1 531 . 1 1 143 143 ALA H H 1 9.163 0.03 . 1 . . . . 143 ALA H . 16984 1 532 . 1 1 143 143 ALA C C 13 169.691 0.4 . 1 . . . . 143 ALA C . 16984 1 533 . 1 1 143 143 ALA CA C 13 50.804 0.20 . 1 . . . . 143 ALA CA . 16984 1 534 . 1 1 143 143 ALA CB C 13 14.703 0.12 . 1 . . . . 143 ALA CB . 16984 1 535 . 1 1 143 143 ALA N N 15 133.950 0.25 . 1 . . . . 143 ALA N . 16984 1 536 . 1 1 144 144 GLY H H 1 9.331 0.03 . 1 . . . . 144 GLY H . 16984 1 537 . 1 1 144 144 GLY C C 13 173.623 0.4 . 1 . . . . 144 GLY C . 16984 1 538 . 1 1 144 144 GLY CA C 13 41.966 0.20 . 1 . . . . 144 GLY CA . 16984 1 539 . 1 1 144 144 GLY N N 15 111.665 0.25 . 1 . . . . 144 GLY N . 16984 1 540 . 1 1 145 145 ASN H H 1 7.745 0.03 . 1 . . . . 145 ASN H . 16984 1 541 . 1 1 145 145 ASN C C 13 173.935 0.4 . 1 . . . . 145 ASN C . 16984 1 542 . 1 1 145 145 ASN CA C 13 50.187 0.20 . 1 . . . . 145 ASN CA . 16984 1 543 . 1 1 145 145 ASN CB C 13 34.075 0.12 . 1 . . . . 145 ASN CB . 16984 1 544 . 1 1 145 145 ASN N N 15 121.409 0.25 . 1 . . . . 145 ASN N . 16984 1 545 . 1 1 146 146 ALA H H 1 9.917 0.03 . 1 . . . . 146 ALA H . 16984 1 546 . 1 1 146 146 ALA C C 13 167.475 0.4 . 1 . . . . 146 ALA C . 16984 1 547 . 1 1 146 146 ALA CA C 13 52.479 0.20 . 1 . . . . 146 ALA CA . 16984 1 548 . 1 1 146 146 ALA CB C 13 16.219 0.12 . 1 . . . . 146 ALA CB . 16984 1 549 . 1 1 146 146 ALA N N 15 129.883 0.25 . 1 . . . . 146 ALA N . 16984 1 550 . 1 1 147 147 SER H H 1 9.944 0.03 . 1 . . . . 147 SER H . 16984 1 551 . 1 1 147 147 SER C C 13 171.010 0.4 . 1 . . . . 147 SER C . 16984 1 552 . 1 1 147 147 SER CA C 13 58.211 0.20 . 1 . . . . 147 SER CA . 16984 1 553 . 1 1 147 147 SER CB C 13 60.301 0.12 . 1 . . . . 147 SER CB . 16984 1 554 . 1 1 147 147 SER N N 15 120.023 0.25 . 1 . . . . 147 SER N . 16984 1 555 . 1 1 148 148 GLY H H 1 7.969 0.03 . 1 . . . . 148 GLY H . 16984 1 556 . 1 1 148 148 GLY C C 13 171.051 0.4 . 1 . . . . 148 GLY C . 16984 1 557 . 1 1 148 148 GLY CA C 13 44.356 0.20 . 1 . . . . 148 GLY CA . 16984 1 558 . 1 1 148 148 GLY N N 15 107.016 0.25 . 1 . . . . 148 GLY N . 16984 1 559 . 1 1 149 149 GLU H H 1 8.878 0.03 . 1 . . . . 149 GLU H . 16984 1 560 . 1 1 149 149 GLU C C 13 169.658 0.4 . 1 . . . . 149 GLU C . 16984 1 561 . 1 1 149 149 GLU CA C 13 56.270 0.20 . 1 . . . . 149 GLU CA . 16984 1 562 . 1 1 149 149 GLU CB C 13 26.126 0.12 . 1 . . . . 149 GLU CB . 16984 1 563 . 1 1 149 149 GLU N N 15 123.791 0.25 . 1 . . . . 149 GLU N . 16984 1 564 . 1 1 150 150 ALA H H 1 8.261 0.03 . 1 . . . . 150 ALA H . 16984 1 565 . 1 1 150 150 ALA CA C 13 52.099 0.20 . 1 . . . . 150 ALA CA . 16984 1 566 . 1 1 150 150 ALA CB C 13 16.265 0.12 . 1 . . . . 150 ALA CB . 16984 1 567 . 1 1 150 150 ALA N N 15 120.774 0.25 . 1 . . . . 150 ALA N . 16984 1 568 . 1 1 151 151 ARG CA C 13 56.590 0.20 . 1 . . . . 151 ARG CA . 16984 1 569 . 1 1 152 152 ARG C C 13 168.824 0.4 . 1 . . . . 152 ARG C . 16984 1 570 . 1 1 152 152 ARG CA C 13 56.660 0.20 . 1 . . . . 152 ARG CA . 16984 1 571 . 1 1 152 152 ARG CB C 13 25.887 0.12 . 1 . . . . 152 ARG CB . 16984 1 572 . 1 1 153 153 ASN H H 1 9.333 0.03 . 1 . . . . 153 ASN H . 16984 1 573 . 1 1 153 153 ASN C C 13 170.566 0.4 . 1 . . . . 153 ASN C . 16984 1 574 . 1 1 153 153 ASN CA C 13 53.518 0.20 . 1 . . . . 153 ASN CA . 16984 1 575 . 1 1 153 153 ASN CB C 13 34.719 0.12 . 1 . . . . 153 ASN CB . 16984 1 576 . 1 1 153 153 ASN N N 15 123.286 0.25 . 1 . . . . 153 ASN N . 16984 1 577 . 1 1 154 154 GLY H H 1 9.138 0.03 . 1 . . . . 154 GLY H . 16984 1 578 . 1 1 154 154 GLY CA C 13 44.400 0.20 . 1 . . . . 154 GLY CA . 16984 1 579 . 1 1 154 154 GLY N N 15 107.457 0.25 . 1 . . . . 154 GLY N . 16984 1 580 . 1 1 155 155 ALA H H 1 7.972 0.03 . 1 . . . . 155 ALA H . 16984 1 581 . 1 1 155 155 ALA C C 13 172.796 0.4 . 1 . . . . 155 ALA C . 16984 1 582 . 1 1 155 155 ALA CA C 13 51.786 0.20 . 1 . . . . 155 ALA CA . 16984 1 583 . 1 1 155 155 ALA CB C 13 14.169 0.12 . 1 . . . . 155 ALA CB . 16984 1 584 . 1 1 155 155 ALA N N 15 121.143 0.25 . 1 . . . . 155 ALA N . 16984 1 585 . 1 1 156 156 THR H H 1 7.544 0.03 . 1 . . . . 156 THR H . 16984 1 586 . 1 1 156 156 THR C C 13 167.506 0.4 . 1 . . . . 156 THR C . 16984 1 587 . 1 1 156 156 THR CA C 13 64.692 0.20 . 1 . . . . 156 THR CA . 16984 1 588 . 1 1 156 156 THR CB C 13 65.569 0.12 . 1 . . . . 156 THR CB . 16984 1 589 . 1 1 156 156 THR N N 15 119.689 0.25 . 1 . . . . 156 THR N . 16984 1 590 . 1 1 157 157 GLU H H 1 8.345 0.03 . 1 . . . . 157 GLU H . 16984 1 591 . 1 1 157 157 GLU C C 13 170.113 0.4 . 1 . . . . 157 GLU C . 16984 1 592 . 1 1 157 157 GLU CA C 13 56.039 0.20 . 1 . . . . 157 GLU CA . 16984 1 593 . 1 1 157 157 GLU CB C 13 25.710 0.12 . 1 . . . . 157 GLU CB . 16984 1 594 . 1 1 157 157 GLU N N 15 119.689 0.25 . 1 . . . . 157 GLU N . 16984 1 595 . 1 1 158 158 ALA H H 1 6.987 0.03 . 1 . . . . 158 ALA H . 16984 1 596 . 1 1 158 158 ALA C C 13 174.939 0.4 . 1 . . . . 158 ALA C . 16984 1 597 . 1 1 158 158 ALA CA C 13 51.855 0.20 . 1 . . . . 158 ALA CA . 16984 1 598 . 1 1 158 158 ALA CB C 13 14.479 0.12 . 1 . . . . 158 ALA CB . 16984 1 599 . 1 1 158 158 ALA N N 15 119.793 0.25 . 1 . . . . 158 ALA N . 16984 1 600 . 1 1 159 159 PHE H H 1 8.478 0.03 . 1 . . . . 159 PHE H . 16984 1 601 . 1 1 159 159 PHE C C 13 174.499 0.4 . 1 . . . . 159 PHE C . 16984 1 602 . 1 1 159 159 PHE CA C 13 55.582 0.20 . 1 . . . . 159 PHE CA . 16984 1 603 . 1 1 159 159 PHE CB C 13 34.566 0.12 . 1 . . . . 159 PHE CB . 16984 1 604 . 1 1 159 159 PHE N N 15 115.650 0.25 . 1 . . . . 159 PHE N . 16984 1 605 . 1 1 160 160 LYS H H 1 8.404 0.03 . 1 . . . . 160 LYS H . 16984 1 606 . 1 1 160 160 LYS C C 13 170.569 0.4 . 1 . . . . 160 LYS C . 16984 1 607 . 1 1 160 160 LYS CA C 13 55.678 0.20 . 1 . . . . 160 LYS CA . 16984 1 608 . 1 1 160 160 LYS CB C 13 28.970 0.12 . 1 . . . . 160 LYS CB . 16984 1 609 . 1 1 160 160 LYS N N 15 117.719 0.25 . 1 . . . . 160 LYS N . 16984 1 610 . 1 1 161 161 LYS H H 1 7.126 0.03 . 1 . . . . 161 LYS H . 16984 1 611 . 1 1 161 161 LYS C C 13 172.721 0.4 . 1 . . . . 161 LYS C . 16984 1 612 . 1 1 161 161 LYS CA C 13 53.939 0.20 . 1 . . . . 161 LYS CA . 16984 1 613 . 1 1 161 161 LYS CB C 13 29.318 0.12 . 1 . . . . 161 LYS CB . 16984 1 614 . 1 1 161 161 LYS N N 15 115.454 0.25 . 1 . . . . 161 LYS N . 16984 1 615 . 1 1 162 162 ALA H H 1 7.465 0.03 . 1 . . . . 162 ALA H . 16984 1 616 . 1 1 162 162 ALA CA C 13 47.543 0.20 . 1 . . . . 162 ALA CA . 16984 1 617 . 1 1 162 162 ALA CB C 13 16.157 0.12 . 1 . . . . 162 ALA CB . 16984 1 618 . 1 1 162 162 ALA N N 15 124.321 0.25 . 1 . . . . 162 ALA N . 16984 1 619 . 1 1 163 163 SER C C 13 173.188 0.4 . 1 . . . . 163 SER C . 16984 1 620 . 1 1 163 163 SER CA C 13 58.300 0.20 . 1 . . . . 163 SER CA . 16984 1 621 . 1 1 163 163 SER CB C 13 59.680 0.12 . 1 . . . . 163 SER CB . 16984 1 622 . 1 1 164 164 GLN H H 1 9.630 0.03 . 1 . . . . 164 GLN H . 16984 1 623 . 1 1 164 164 GLN C C 13 173.179 0.4 . 1 . . . . 164 GLN C . 16984 1 624 . 1 1 164 164 GLN CA C 13 53.164 0.20 . 1 . . . . 164 GLN CA . 16984 1 625 . 1 1 164 164 GLN CB C 13 22.842 0.12 . 1 . . . . 164 GLN CB . 16984 1 626 . 1 1 164 164 GLN N N 15 119.527 0.25 . 1 . . . . 164 GLN N . 16984 1 627 . 1 1 165 165 ILE H H 1 8.106 0.03 . 1 . . . . 165 ILE H . 16984 1 628 . 1 1 165 165 ILE C C 13 173.169 0.4 . 1 . . . . 165 ILE C . 16984 1 629 . 1 1 165 165 ILE CA C 13 54.214 0.20 . 1 . . . . 165 ILE CA . 16984 1 630 . 1 1 165 165 ILE CB C 13 32.276 0.12 . 1 . . . . 165 ILE CB . 16984 1 631 . 1 1 165 165 ILE N N 15 125.433 0.25 . 1 . . . . 165 ILE N . 16984 1 632 . 1 1 166 166 LYS H H 1 8.184 0.03 . 1 . . . . 166 LYS H . 16984 1 633 . 1 1 166 166 LYS C C 13 174.003 0.4 . 1 . . . . 166 LYS C . 16984 1 634 . 1 1 166 166 LYS CA C 13 51.250 0.20 . 1 . . . . 166 LYS CA . 16984 1 635 . 1 1 166 166 LYS CB C 13 31.247 0.12 . 1 . . . . 166 LYS CB . 16984 1 636 . 1 1 166 166 LYS N N 15 126.839 0.25 . 1 . . . . 166 LYS N . 16984 1 637 . 1 1 167 167 LEU H H 1 8.804 0.03 . 1 . . . . 167 LEU H . 16984 1 638 . 1 1 167 167 LEU C C 13 171.014 0.4 . 1 . . . . 167 LEU C . 16984 1 639 . 1 1 167 167 LEU CA C 13 51.382 0.20 . 1 . . . . 167 LEU CA . 16984 1 640 . 1 1 167 167 LEU CB C 13 37.959 0.12 . 1 . . . . 167 LEU CB . 16984 1 641 . 1 1 167 167 LEU N N 15 128.996 0.25 . 1 . . . . 167 LEU N . 16984 1 642 . 1 1 168 168 VAL H H 1 8.846 0.03 . 1 . . . . 168 VAL H . 16984 1 643 . 1 1 168 168 VAL C C 13 172.756 0.4 . 1 . . . . 168 VAL C . 16984 1 644 . 1 1 168 168 VAL CA C 13 58.454 0.20 . 1 . . . . 168 VAL CA . 16984 1 645 . 1 1 168 168 VAL CB C 13 29.232 0.12 . 1 . . . . 168 VAL CB . 16984 1 646 . 1 1 168 168 VAL N N 15 120.102 0.25 . 1 . . . . 168 VAL N . 16984 1 647 . 1 1 169 169 ALA H H 1 7.124 0.03 . 1 . . . . 169 ALA H . 16984 1 648 . 1 1 169 169 ALA CA C 13 49.478 0.20 . 1 . . . . 169 ALA CA . 16984 1 649 . 1 1 169 169 ALA CB C 13 18.865 0.12 . 1 . . . . 169 ALA CB . 16984 1 650 . 1 1 169 169 ALA N N 15 119.453 0.25 . 1 . . . . 169 ALA N . 16984 1 651 . 1 1 170 170 SER C C 13 174.064 0.4 . 1 . . . . 170 SER C . 16984 1 652 . 1 1 170 170 SER CA C 13 54.692 0.20 . 1 . . . . 170 SER CA . 16984 1 653 . 1 1 170 170 SER CB C 13 60.245 0.12 . 1 . . . . 170 SER CB . 16984 1 654 . 1 1 171 171 GLN H H 1 8.410 0.03 . 1 . . . . 171 GLN H . 16984 1 655 . 1 1 171 171 GLN CA C 13 49.438 0.20 . 1 . . . . 171 GLN CA . 16984 1 656 . 1 1 171 171 GLN CB C 13 30.335 0.12 . 1 . . . . 171 GLN CB . 16984 1 657 . 1 1 171 171 GLN N N 15 123.742 0.25 . 1 . . . . 171 GLN N . 16984 1 658 . 1 1 172 172 PRO CA C 13 59.870 0.20 . 1 . . . . 172 PRO CA . 16984 1 659 . 1 1 172 172 PRO CB C 13 30.054 0.12 . 1 . . . . 172 PRO CB . 16984 1 660 . 1 1 173 173 ALA H H 1 8.353 0.03 . 1 . . . . 173 ALA H . 16984 1 661 . 1 1 173 173 ALA C C 13 168.827 0.4 . 1 . . . . 173 ALA C . 16984 1 662 . 1 1 173 173 ALA CA C 13 48.485 0.20 . 1 . . . . 173 ALA CA . 16984 1 663 . 1 1 173 173 ALA CB C 13 15.002 0.12 . 1 . . . . 173 ALA CB . 16984 1 664 . 1 1 173 173 ALA N N 15 119.296 0.25 . 1 . . . . 173 ALA N . 16984 1 665 . 1 1 174 174 ASP H H 1 7.207 0.03 . 1 . . . . 174 ASP H . 16984 1 666 . 1 1 174 174 ASP C C 13 174.932 0.4 . 1 . . . . 174 ASP C . 16984 1 667 . 1 1 174 174 ASP CA C 13 53.714 0.20 . 1 . . . . 174 ASP CA . 16984 1 668 . 1 1 174 174 ASP CB C 13 35.421 0.12 . 1 . . . . 174 ASP CB . 16984 1 669 . 1 1 174 174 ASP N N 15 111.684 0.25 . 1 . . . . 174 ASP N . 16984 1 670 . 1 1 175 175 TRP H H 1 7.656 0.03 . 1 . . . . 175 TRP H . 16984 1 671 . 1 1 175 175 TRP C C 13 173.636 0.4 . 1 . . . . 175 TRP C . 16984 1 672 . 1 1 175 175 TRP CA C 13 53.345 0.20 . 1 . . . . 175 TRP CA . 16984 1 673 . 1 1 175 175 TRP CB C 13 25.978 0.12 . 1 . . . . 175 TRP CB . 16984 1 674 . 1 1 175 175 TRP N N 15 109.425 0.25 . 1 . . . . 175 TRP N . 16984 1 675 . 1 1 176 176 ASP H H 1 8.169 0.03 . 1 . . . . 176 ASP H . 16984 1 676 . 1 1 176 176 ASP C C 13 173.130 0.4 . 1 . . . . 176 ASP C . 16984 1 677 . 1 1 176 176 ASP CA C 13 50.734 0.20 . 1 . . . . 176 ASP CA . 16984 1 678 . 1 1 176 176 ASP CB C 13 42.150 0.12 . 1 . . . . 176 ASP CB . 16984 1 679 . 1 1 176 176 ASP N N 15 121.944 0.25 . 1 . . . . 176 ASP N . 16984 1 680 . 1 1 177 177 ARG H H 1 8.923 0.03 . 1 . . . . 177 ARG H . 16984 1 681 . 1 1 177 177 ARG C C 13 171.026 0.4 . 1 . . . . 177 ARG C . 16984 1 682 . 1 1 177 177 ARG CA C 13 57.367 0.20 . 1 . . . . 177 ARG CA . 16984 1 683 . 1 1 177 177 ARG CB C 13 28.310 0.12 . 1 . . . . 177 ARG CB . 16984 1 684 . 1 1 177 177 ARG N N 15 127.567 0.25 . 1 . . . . 177 ARG N . 16984 1 685 . 1 1 178 178 ILE H H 1 7.824 0.03 . 1 . . . . 178 ILE H . 16984 1 686 . 1 1 178 178 ILE C C 13 169.231 0.4 . 1 . . . . 178 ILE C . 16984 1 687 . 1 1 178 178 ILE CA C 13 60.135 0.20 . 1 . . . . 178 ILE CA . 16984 1 688 . 1 1 178 178 ILE CB C 13 32.775 0.12 . 1 . . . . 178 ILE CB . 16984 1 689 . 1 1 178 178 ILE N N 15 118.860 0.25 . 1 . . . . 178 ILE N . 16984 1 690 . 1 1 179 179 LYS H H 1 8.961 0.03 . 1 . . . . 179 LYS H . 16984 1 691 . 1 1 179 179 LYS C C 13 171.006 0.4 . 1 . . . . 179 LYS C . 16984 1 692 . 1 1 179 179 LYS CA C 13 56.375 0.20 . 1 . . . . 179 LYS CA . 16984 1 693 . 1 1 179 179 LYS CB C 13 28.283 0.12 . 1 . . . . 179 LYS CB . 16984 1 694 . 1 1 179 179 LYS N N 15 121.853 0.25 . 1 . . . . 179 LYS N . 16984 1 695 . 1 1 180 180 ALA H H 1 8.339 0.03 . 1 . . . . 180 ALA H . 16984 1 696 . 1 1 180 180 ALA C C 13 169.682 0.4 . 1 . . . . 180 ALA C . 16984 1 697 . 1 1 180 180 ALA CA C 13 52.730 0.20 . 1 . . . . 180 ALA CA . 16984 1 698 . 1 1 180 180 ALA CB C 13 15.970 0.12 . 1 . . . . 180 ALA CB . 16984 1 699 . 1 1 180 180 ALA N N 15 119.223 0.25 . 1 . . . . 180 ALA N . 16984 1 700 . 1 1 181 181 LEU H H 1 7.824 0.03 . 1 . . . . 181 LEU H . 16984 1 701 . 1 1 181 181 LEU C C 13 168.376 0.4 . 1 . . . . 181 LEU C . 16984 1 702 . 1 1 181 181 LEU CA C 13 56.095 0.20 . 1 . . . . 181 LEU CA . 16984 1 703 . 1 1 181 181 LEU CB C 13 38.551 0.12 . 1 . . . . 181 LEU CB . 16984 1 704 . 1 1 181 181 LEU N N 15 120.584 0.25 . 1 . . . . 181 LEU N . 16984 1 705 . 1 1 182 182 ASP H H 1 8.292 0.03 . 1 . . . . 182 ASP H . 16984 1 706 . 1 1 182 182 ASP C C 13 169.254 0.4 . 1 . . . . 182 ASP C . 16984 1 707 . 1 1 182 182 ASP CA C 13 55.148 0.20 . 1 . . . . 182 ASP CA . 16984 1 708 . 1 1 182 182 ASP CB C 13 37.660 0.12 . 1 . . . . 182 ASP CB . 16984 1 709 . 1 1 182 182 ASP N N 15 123.667 0.25 . 1 . . . . 182 ASP N . 16984 1 710 . 1 1 183 183 VAL H H 1 9.155 0.03 . 1 . . . . 183 VAL H . 16984 1 711 . 1 1 183 183 VAL C C 13 169.253 0.4 . 1 . . . . 183 VAL C . 16984 1 712 . 1 1 183 183 VAL CA C 13 63.264 0.20 . 1 . . . . 183 VAL CA . 16984 1 713 . 1 1 183 183 VAL CB C 13 28.781 0.12 . 1 . . . . 183 VAL CB . 16984 1 714 . 1 1 183 183 VAL N N 15 121.128 0.25 . 1 . . . . 183 VAL N . 16984 1 715 . 1 1 184 184 ALA H H 1 9.098 0.03 . 1 . . . . 184 ALA H . 16984 1 716 . 1 1 184 184 ALA C C 13 169.695 0.4 . 1 . . . . 184 ALA C . 16984 1 717 . 1 1 184 184 ALA CA C 13 52.099 0.20 . 1 . . . . 184 ALA CA . 16984 1 718 . 1 1 184 184 ALA CB C 13 16.178 0.12 . 1 . . . . 184 ALA CB . 16984 1 719 . 1 1 184 184 ALA N N 15 120.085 0.25 . 1 . . . . 184 ALA N . 16984 1 720 . 1 1 185 185 THR H H 1 8.278 0.03 . 1 . . . . 185 THR H . 16984 1 721 . 1 1 185 185 THR C C 13 172.231 0.4 . 1 . . . . 185 THR C . 16984 1 722 . 1 1 185 185 THR CA C 13 64.563 0.20 . 1 . . . . 185 THR CA . 16984 1 723 . 1 1 185 185 THR CB C 13 65.566 0.12 . 1 . . . . 185 THR CB . 16984 1 724 . 1 1 185 185 THR N N 15 115.255 0.25 . 1 . . . . 185 THR N . 16984 1 725 . 1 1 186 186 ASN H H 1 7.547 0.03 . 1 . . . . 186 ASN H . 16984 1 726 . 1 1 186 186 ASN C C 13 170.994 0.4 . 1 . . . . 186 ASN C . 16984 1 727 . 1 1 186 186 ASN CA C 13 53.927 0.20 . 1 . . . . 186 ASN CA . 16984 1 728 . 1 1 186 186 ASN CB C 13 35.700 0.12 . 1 . . . . 186 ASN CB . 16984 1 729 . 1 1 186 186 ASN N N 15 119.844 0.25 . 1 . . . . 186 ASN N . 16984 1 730 . 1 1 187 187 VAL H H 1 8.625 0.03 . 1 . . . . 187 VAL H . 16984 1 731 . 1 1 187 187 VAL CA C 13 63.626 0.20 . 1 . . . . 187 VAL CA . 16984 1 732 . 1 1 187 187 VAL CB C 13 28.173 0.12 . 1 . . . . 187 VAL CB . 16984 1 733 . 1 1 187 187 VAL N N 15 120.746 0.25 . 1 . . . . 187 VAL N . 16984 1 734 . 1 1 188 188 LEU C C 13 169.688 0.4 . 1 . . . . 188 LEU C . 16984 1 735 . 1 1 189 189 GLN H H 1 7.609 0.03 . 1 . . . . 189 GLN H . 16984 1 736 . 1 1 189 189 GLN CA C 13 54.308 0.20 . 1 . . . . 189 GLN CA . 16984 1 737 . 1 1 189 189 GLN CB C 13 27.530 0.12 . 1 . . . . 189 GLN CB . 16984 1 738 . 1 1 189 189 GLN N N 15 116.656 0.25 . 1 . . . . 189 GLN N . 16984 1 739 . 1 1 190 190 ARG H H 1 8.721 0.03 . 1 . . . . 190 ARG H . 16984 1 740 . 1 1 190 190 ARG CA C 13 56.773 0.20 . 1 . . . . 190 ARG CA . 16984 1 741 . 1 1 190 190 ARG CB C 13 25.918 0.12 . 1 . . . . 190 ARG CB . 16984 1 742 . 1 1 190 190 ARG N N 15 118.445 0.25 . 1 . . . . 190 ARG N . 16984 1 743 . 1 1 192 192 PRO C C 13 170.570 0.4 . 1 . . . . 192 PRO C . 16984 1 744 . 1 1 193 193 ASN H H 1 9.165 0.03 . 1 . . . . 193 ASN H . 16984 1 745 . 1 1 193 193 ASN C C 13 172.758 0.4 . 1 . . . . 193 ASN C . 16984 1 746 . 1 1 193 193 ASN CA C 13 49.381 0.20 . 1 . . . . 193 ASN CA . 16984 1 747 . 1 1 193 193 ASN CB C 13 34.951 0.12 . 1 . . . . 193 ASN CB . 16984 1 748 . 1 1 193 193 ASN N N 15 115.713 0.25 . 1 . . . . 193 ASN N . 16984 1 749 . 1 1 194 194 ILE H H 1 7.548 0.03 . 1 . . . . 194 ILE H . 16984 1 750 . 1 1 194 194 ILE C C 13 171.935 0.4 . 1 . . . . 194 ILE C . 16984 1 751 . 1 1 194 194 ILE CA C 13 56.786 0.20 . 1 . . . . 194 ILE CA . 16984 1 752 . 1 1 194 194 ILE CB C 13 35.417 0.12 . 1 . . . . 194 ILE CB . 16984 1 753 . 1 1 194 194 ILE N N 15 117.923 0.25 . 1 . . . . 194 ILE N . 16984 1 754 . 1 1 195 195 LYS H H 1 9.086 0.03 . 1 . . . . 195 LYS H . 16984 1 755 . 1 1 195 195 LYS CA C 13 54.936 0.20 . 1 . . . . 195 LYS CA . 16984 1 756 . 1 1 195 195 LYS CB C 13 30.118 0.12 . 1 . . . . 195 LYS CB . 16984 1 757 . 1 1 195 195 LYS N N 15 119.431 0.25 . 1 . . . . 195 LYS N . 16984 1 758 . 1 1 199 199 CYS C C 13 175.382 0.4 . 1 . . . . 199 CYS C . 16984 1 759 . 1 1 199 199 CYS CA C 13 52.590 0.20 . 1 . . . . 199 CYS CA . 16984 1 760 . 1 1 199 199 CYS CB C 13 28.080 0.12 . 1 . . . . 199 CYS CB . 16984 1 761 . 1 1 200 200 ALA H H 1 8.117 0.03 . 1 . . . . 200 ALA H . 16984 1 762 . 1 1 200 200 ALA C C 13 171.874 0.4 . 1 . . . . 200 ALA C . 16984 1 763 . 1 1 200 200 ALA CA C 13 50.055 0.20 . 1 . . . . 200 ALA CA . 16984 1 764 . 1 1 200 200 ALA CB C 13 15.499 0.12 . 1 . . . . 200 ALA CB . 16984 1 765 . 1 1 200 200 ALA N N 15 117.980 0.25 . 1 . . . . 200 ALA N . 16984 1 766 . 1 1 201 201 ASN H H 1 7.151 0.03 . 1 . . . . 201 ASN H . 16984 1 767 . 1 1 201 201 ASN C C 13 171.846 0.4 . 1 . . . . 201 ASN C . 16984 1 768 . 1 1 201 201 ASN CA C 13 49.712 0.20 . 1 . . . . 201 ASN CA . 16984 1 769 . 1 1 201 201 ASN CB C 13 37.045 0.12 . 1 . . . . 201 ASN CB . 16984 1 770 . 1 1 201 201 ASN N N 15 110.830 0.25 . 1 . . . . 201 ASN N . 16984 1 771 . 1 1 202 202 ASP H H 1 7.603 0.03 . 1 . . . . 202 ASP H . 16984 1 772 . 1 1 202 202 ASP C C 13 169.679 0.4 . 1 . . . . 202 ASP C . 16984 1 773 . 1 1 202 202 ASP CA C 13 53.928 0.20 . 1 . . . . 202 ASP CA . 16984 1 774 . 1 1 202 202 ASP CB C 13 39.438 0.12 . 1 . . . . 202 ASP CB . 16984 1 775 . 1 1 202 202 ASP N N 15 121.366 0.25 . 1 . . . . 202 ASP N . 16984 1 776 . 1 1 203 203 THR H H 1 8.170 0.03 . 1 . . . . 203 THR H . 16984 1 777 . 1 1 203 203 THR C C 13 171.006 0.4 . 1 . . . . 203 THR C . 16984 1 778 . 1 1 203 203 THR CA C 13 63.682 0.20 . 1 . . . . 203 THR CA . 16984 1 779 . 1 1 203 203 THR CB C 13 65.300 0.12 . 1 . . . . 203 THR CB . 16984 1 780 . 1 1 203 203 THR N N 15 117.512 0.25 . 1 . . . . 203 THR N . 16984 1 781 . 1 1 204 204 MET H H 1 7.889 0.03 . 1 . . . . 204 MET H . 16984 1 782 . 1 1 204 204 MET CA C 13 56.366 0.20 . 1 . . . . 204 MET CA . 16984 1 783 . 1 1 204 204 MET CB C 13 29.126 0.12 . 1 . . . . 204 MET CB . 16984 1 784 . 1 1 204 204 MET N N 15 115.018 0.25 . 1 . . . . 204 MET N . 16984 1 785 . 1 1 205 205 ALA H H 1 8.064 0.03 . 1 . . . . 205 ALA H . 16984 1 786 . 1 1 205 205 ALA C C 13 169.691 0.4 . 1 . . . . 205 ALA C . 16984 1 787 . 1 1 205 205 ALA CA C 13 52.307 0.20 . 1 . . . . 205 ALA CA . 16984 1 788 . 1 1 205 205 ALA CB C 13 15.476 0.12 . 1 . . . . 205 ALA CB . 16984 1 789 . 1 1 205 205 ALA N N 15 121.765 0.25 . 1 . . . . 205 ALA N . 16984 1 790 . 1 1 206 206 MET H H 1 8.500 0.03 . 1 . . . . 206 MET H . 16984 1 791 . 1 1 206 206 MET C C 13 168.384 0.4 . 1 . . . . 206 MET C . 16984 1 792 . 1 1 206 206 MET CA C 13 56.736 0.20 . 1 . . . . 206 MET CA . 16984 1 793 . 1 1 206 206 MET CB C 13 29.144 0.12 . 1 . . . . 206 MET CB . 16984 1 794 . 1 1 206 206 MET N N 15 116.455 0.25 . 1 . . . . 206 MET N . 16984 1 795 . 1 1 207 207 GLY H H 1 7.576 0.03 . 1 . . . . 207 GLY H . 16984 1 796 . 1 1 207 207 GLY CA C 13 43.977 0.20 . 1 . . . . 207 GLY CA . 16984 1 797 . 1 1 207 207 GLY N N 15 108.798 0.25 . 1 . . . . 207 GLY N . 16984 1 798 . 1 1 208 208 VAL C C 13 170.554 0.4 . 1 . . . . 208 VAL C . 16984 1 799 . 1 1 208 208 VAL CA C 13 63.141 0.20 . 1 . . . . 208 VAL CA . 16984 1 800 . 1 1 208 208 VAL CB C 13 26.810 0.12 . 1 . . . . 208 VAL CB . 16984 1 801 . 1 1 209 209 ALA H H 1 9.072 0.03 . 1 . . . . 209 ALA H . 16984 1 802 . 1 1 209 209 ALA CA C 13 52.102 0.20 . 1 . . . . 209 ALA CA . 16984 1 803 . 1 1 209 209 ALA CB C 13 14.182 0.12 . 1 . . . . 209 ALA CB . 16984 1 804 . 1 1 209 209 ALA N N 15 121.164 0.25 . 1 . . . . 209 ALA N . 16984 1 805 . 1 1 210 210 GLN H H 1 7.558 0.03 . 1 . . . . 210 GLN H . 16984 1 806 . 1 1 210 210 GLN C C 13 171.041 0.4 . 1 . . . . 210 GLN C . 16984 1 807 . 1 1 210 210 GLN CA C 13 55.451 0.20 . 1 . . . . 210 GLN CA . 16984 1 808 . 1 1 210 210 GLN CB C 13 24.697 0.12 . 1 . . . . 210 GLN CB . 16984 1 809 . 1 1 210 210 GLN N N 15 119.533 0.25 . 1 . . . . 210 GLN N . 16984 1 810 . 1 1 211 211 ALA H H 1 8.024 0.03 . 1 . . . . 211 ALA H . 16984 1 811 . 1 1 211 211 ALA C C 13 167.509 0.4 . 1 . . . . 211 ALA C . 16984 1 812 . 1 1 211 211 ALA CA C 13 52.303 0.20 . 1 . . . . 211 ALA CA . 16984 1 813 . 1 1 211 211 ALA CB C 13 15.765 0.12 . 1 . . . . 211 ALA CB . 16984 1 814 . 1 1 211 211 ALA N N 15 124.054 0.25 . 1 . . . . 211 ALA N . 16984 1 815 . 1 1 212 212 VAL H H 1 8.664 0.03 . 1 . . . . 212 VAL H . 16984 1 816 . 1 1 212 212 VAL C C 13 170.464 0.4 . 1 . . . . 212 VAL C . 16984 1 817 . 1 1 212 212 VAL CA C 13 63.677 0.20 . 1 . . . . 212 VAL CA . 16984 1 818 . 1 1 212 212 VAL CB C 13 28.316 0.12 . 1 . . . . 212 VAL CB . 16984 1 819 . 1 1 212 212 VAL N N 15 119.385 0.25 . 1 . . . . 212 VAL N . 16984 1 820 . 1 1 213 213 ALA H H 1 8.073 0.03 . 1 . . . . 213 ALA H . 16984 1 821 . 1 1 213 213 ALA C C 13 165.751 0.4 . 1 . . . . 213 ALA C . 16984 1 822 . 1 1 213 213 ALA CA C 13 51.847 0.20 . 1 . . . . 213 ALA CA . 16984 1 823 . 1 1 213 213 ALA CB C 13 14.500 0.12 . 1 . . . . 213 ALA CB . 16984 1 824 . 1 1 213 213 ALA N N 15 123.444 0.25 . 1 . . . . 213 ALA N . 16984 1 825 . 1 1 214 214 ASN H H 1 8.881 0.03 . 1 . . . . 214 ASN H . 16984 1 826 . 1 1 214 214 ASN C C 13 171.447 0.4 . 1 . . . . 214 ASN C . 16984 1 827 . 1 1 214 214 ASN CA C 13 52.089 0.20 . 1 . . . . 214 ASN CA . 16984 1 828 . 1 1 214 214 ASN CB C 13 34.086 0.12 . 1 . . . . 214 ASN CB . 16984 1 829 . 1 1 214 214 ASN N N 15 120.388 0.25 . 1 . . . . 214 ASN N . 16984 1 830 . 1 1 215 215 ALA H H 1 7.506 0.03 . 1 . . . . 215 ALA H . 16984 1 831 . 1 1 215 215 ALA C C 13 170.999 0.4 . 1 . . . . 215 ALA C . 16984 1 832 . 1 1 215 215 ALA CA C 13 48.650 0.20 . 1 . . . . 215 ALA CA . 16984 1 833 . 1 1 215 215 ALA CB C 13 15.688 0.12 . 1 . . . . 215 ALA CB . 16984 1 834 . 1 1 215 215 ALA N N 15 119.218 0.25 . 1 . . . . 215 ALA N . 16984 1 835 . 1 1 216 216 GLY H H 1 8.211 0.03 . 1 . . . . 216 GLY H . 16984 1 836 . 1 1 216 216 GLY C C 13 171.437 0.4 . 1 . . . . 216 GLY C . 16984 1 837 . 1 1 216 216 GLY CA C 13 43.168 0.20 . 1 . . . . 216 GLY CA . 16984 1 838 . 1 1 216 216 GLY N N 15 107.975 0.25 . 1 . . . . 216 GLY N . 16984 1 839 . 1 1 217 217 LYS H H 1 8.009 0.03 . 1 . . . . 217 LYS H . 16984 1 840 . 1 1 217 217 LYS C C 13 169.654 0.4 . 1 . . . . 217 LYS C . 16984 1 841 . 1 1 217 217 LYS CA C 13 52.297 0.20 . 1 . . . . 217 LYS CA . 16984 1 842 . 1 1 217 217 LYS CB C 13 30.773 0.12 . 1 . . . . 217 LYS CB . 16984 1 843 . 1 1 217 217 LYS N N 15 115.660 0.25 . 1 . . . . 217 LYS N . 16984 1 844 . 1 1 218 218 THR H H 1 8.183 0.03 . 1 . . . . 218 THR H . 16984 1 845 . 1 1 218 218 THR C C 13 172.314 0.4 . 1 . . . . 218 THR C . 16984 1 846 . 1 1 218 218 THR CA C 13 63.321 0.20 . 1 . . . . 218 THR CA . 16984 1 847 . 1 1 218 218 THR CB C 13 64.926 0.12 . 1 . . . . 218 THR CB . 16984 1 848 . 1 1 218 218 THR N N 15 120.416 0.25 . 1 . . . . 218 THR N . 16984 1 849 . 1 1 219 219 GLY H H 1 9.590 0.03 . 1 . . . . 219 GLY H . 16984 1 850 . 1 1 219 219 GLY C C 13 174.944 0.4 . 1 . . . . 219 GLY C . 16984 1 851 . 1 1 219 219 GLY CA C 13 42.389 0.20 . 1 . . . . 219 GLY CA . 16984 1 852 . 1 1 219 219 GLY N N 15 117.122 0.25 . 1 . . . . 219 GLY N . 16984 1 853 . 1 1 220 220 LYS H H 1 7.711 0.03 . 1 . . . . 220 LYS H . 16984 1 854 . 1 1 220 220 LYS C C 13 173.178 0.4 . 1 . . . . 220 LYS C . 16984 1 855 . 1 1 220 220 LYS CA C 13 52.336 0.20 . 1 . . . . 220 LYS CA . 16984 1 856 . 1 1 220 220 LYS CB C 13 32.022 0.12 . 1 . . . . 220 LYS CB . 16984 1 857 . 1 1 220 220 LYS N N 15 119.996 0.25 . 1 . . . . 220 LYS N . 16984 1 858 . 1 1 221 221 VAL H H 1 7.789 0.03 . 1 . . . . 221 VAL H . 16984 1 859 . 1 1 221 221 VAL C C 13 175.817 0.4 . 1 . . . . 221 VAL C . 16984 1 860 . 1 1 221 221 VAL CA C 13 57.626 0.20 . 1 . . . . 221 VAL CA . 16984 1 861 . 1 1 221 221 VAL CB C 13 30.443 0.12 . 1 . . . . 221 VAL CB . 16984 1 862 . 1 1 221 221 VAL N N 15 118.283 0.25 . 1 . . . . 221 VAL N . 16984 1 863 . 1 1 222 222 LEU H H 1 8.804 0.03 . 1 . . . . 222 LEU H . 16984 1 864 . 1 1 222 222 LEU C C 13 171.875 0.4 . 1 . . . . 222 LEU C . 16984 1 865 . 1 1 222 222 LEU CA C 13 52.064 0.20 . 1 . . . . 222 LEU CA . 16984 1 866 . 1 1 222 222 LEU CB C 13 37.663 0.12 . 1 . . . . 222 LEU CB . 16984 1 867 . 1 1 222 222 LEU N N 15 125.897 0.25 . 1 . . . . 222 LEU N . 16984 1 868 . 1 1 223 223 VAL H H 1 8.501 0.03 . 1 . . . . 223 VAL H . 16984 1 869 . 1 1 223 223 VAL CA C 13 59.169 0.20 . 1 . . . . 223 VAL CA . 16984 1 870 . 1 1 223 223 VAL CB C 13 31.948 0.12 . 1 . . . . 223 VAL CB . 16984 1 871 . 1 1 223 223 VAL N N 15 121.160 0.25 . 1 . . . . 223 VAL N . 16984 1 872 . 1 1 224 224 VAL CA C 13 59.412 0.20 . 1 . . . . 224 VAL CA . 16984 1 873 . 1 1 224 224 VAL CB C 13 37.872 0.12 . 1 . . . . 224 VAL CB . 16984 1 874 . 1 1 226 226 THR C C 13 172.334 0.4 . 1 . . . . 226 THR C . 16984 1 875 . 1 1 226 226 THR CA C 13 59.750 0.20 . 1 . . . . 226 THR CA . 16984 1 876 . 1 1 226 226 THR CB C 13 69.830 0.12 . 1 . . . . 226 THR CB . 16984 1 877 . 1 1 227 227 ASP H H 1 7.671 0.03 . 1 . . . . 227 ASP H . 16984 1 878 . 1 1 227 227 ASP C C 13 169.243 0.4 . 1 . . . . 227 ASP C . 16984 1 879 . 1 1 227 227 ASP CA C 13 58.209 0.20 . 1 . . . . 227 ASP CA . 16984 1 880 . 1 1 227 227 ASP CB C 13 35.574 0.12 . 1 . . . . 227 ASP CB . 16984 1 881 . 1 1 227 227 ASP N N 15 121.510 0.25 . 1 . . . . 227 ASP N . 16984 1 882 . 1 1 228 228 GLY H H 1 8.298 0.03 . 1 . . . . 228 GLY H . 16984 1 883 . 1 1 228 228 GLY CA C 13 43.304 0.20 . 1 . . . . 228 GLY CA . 16984 1 884 . 1 1 228 228 GLY N N 15 113.071 0.25 . 1 . . . . 228 GLY N . 16984 1 885 . 1 1 230 230 PRO C C 13 168.381 0.4 . 1 . . . . 230 PRO C . 16984 1 886 . 1 1 230 230 PRO CA C 13 63.980 0.20 . 1 . . . . 230 PRO CA . 16984 1 887 . 1 1 230 230 PRO CB C 13 28.650 0.12 . 1 . . . . 230 PRO CB . 16984 1 888 . 1 1 231 231 GLU H H 1 10.162 0.03 . 1 . . . . 231 GLU H . 16984 1 889 . 1 1 231 231 GLU C C 13 169.257 0.4 . 1 . . . . 231 GLU C . 16984 1 890 . 1 1 231 231 GLU CA C 13 56.600 0.20 . 1 . . . . 231 GLU CA . 16984 1 891 . 1 1 231 231 GLU CB C 13 26.518 0.12 . 1 . . . . 231 GLU CB . 16984 1 892 . 1 1 231 231 GLU N N 15 117.300 0.25 . 1 . . . . 231 GLU N . 16984 1 893 . 1 1 232 232 ALA H H 1 7.152 0.03 . 1 . . . . 232 ALA H . 16984 1 894 . 1 1 232 232 ALA C C 13 169.244 0.4 . 1 . . . . 232 ALA C . 16984 1 895 . 1 1 232 232 ALA CA C 13 51.484 0.20 . 1 . . . . 232 ALA CA . 16984 1 896 . 1 1 232 232 ALA CB C 13 15.018 0.12 . 1 . . . . 232 ALA CB . 16984 1 897 . 1 1 232 232 ALA N N 15 120.374 0.25 . 1 . . . . 232 ALA N . 16984 1 898 . 1 1 233 233 ARG H H 1 8.037 0.03 . 1 . . . . 233 ARG H . 16984 1 899 . 1 1 233 233 ARG C C 13 168.816 0.4 . 1 . . . . 233 ARG C . 16984 1 900 . 1 1 233 233 ARG CA C 13 57.370 0.20 . 1 . . . . 233 ARG CA . 16984 1 901 . 1 1 233 233 ARG CB C 13 25.442 0.12 . 1 . . . . 233 ARG CB . 16984 1 902 . 1 1 233 233 ARG N N 15 116.824 0.25 . 1 . . . . 233 ARG N . 16984 1 903 . 1 1 234 234 LYS H H 1 8.037 0.03 . 1 . . . . 234 LYS H . 16984 1 904 . 1 1 234 234 LYS C C 13 168.827 0.4 . 1 . . . . 234 LYS C . 16984 1 905 . 1 1 234 234 LYS CA C 13 55.757 0.20 . 1 . . . . 234 LYS CA . 16984 1 906 . 1 1 234 234 LYS CB C 13 28.134 0.12 . 1 . . . . 234 LYS CB . 16984 1 907 . 1 1 234 234 LYS N N 15 119.137 0.25 . 1 . . . . 234 LYS N . 16984 1 908 . 1 1 235 235 MET H H 1 7.942 0.03 . 1 . . . . 235 MET H . 16984 1 909 . 1 1 235 235 MET C C 13 169.281 0.4 . 1 . . . . 235 MET C . 16984 1 910 . 1 1 235 235 MET CA C 13 56.774 0.20 . 1 . . . . 235 MET CA . 16984 1 911 . 1 1 235 235 MET CB C 13 30.210 0.12 . 1 . . . . 235 MET CB . 16984 1 912 . 1 1 235 235 MET N N 15 119.383 0.25 . 1 . . . . 235 MET N . 16984 1 913 . 1 1 236 236 VAL H H 1 8.501 0.03 . 1 . . . . 236 VAL H . 16984 1 914 . 1 1 236 236 VAL C C 13 168.828 0.4 . 1 . . . . 236 VAL C . 16984 1 915 . 1 1 236 236 VAL CA C 13 61.655 0.20 . 1 . . . . 236 VAL CA . 16984 1 916 . 1 1 236 236 VAL CB C 13 27.869 0.12 . 1 . . . . 236 VAL CB . 16984 1 917 . 1 1 236 236 VAL N N 15 122.832 0.25 . 1 . . . . 236 VAL N . 16984 1 918 . 1 1 237 237 GLU H H 1 7.790 0.03 . 1 . . . . 237 GLU H . 16984 1 919 . 1 1 237 237 GLU C C 13 170.126 0.4 . 1 . . . . 237 GLU C . 16984 1 920 . 1 1 237 237 GLU CA C 13 56.337 0.20 . 1 . . . . 237 GLU CA . 16984 1 921 . 1 1 237 237 GLU CB C 13 26.176 0.12 . 1 . . . . 237 GLU CB . 16984 1 922 . 1 1 237 237 GLU N N 15 120.486 0.25 . 1 . . . . 237 GLU N . 16984 1 923 . 1 1 238 238 ALA H H 1 7.836 0.03 . 1 . . . . 238 ALA H . 16984 1 924 . 1 1 238 238 ALA C C 13 170.131 0.4 . 1 . . . . 238 ALA C . 16984 1 925 . 1 1 238 238 ALA CA C 13 49.255 0.20 . 1 . . . . 238 ALA CA . 16984 1 926 . 1 1 238 238 ALA CB C 13 16.288 0.12 . 1 . . . . 238 ALA CB . 16984 1 927 . 1 1 238 238 ALA N N 15 117.131 0.25 . 1 . . . . 238 ALA N . 16984 1 928 . 1 1 239 239 GLY H H 1 7.928 0.03 . 1 . . . . 239 GLY H . 16984 1 929 . 1 1 239 239 GLY C C 13 169.684 0.4 . 1 . . . . 239 GLY C . 16984 1 930 . 1 1 239 239 GLY CA C 13 42.450 0.20 . 1 . . . . 239 GLY CA . 16984 1 931 . 1 1 239 239 GLY N N 15 106.844 0.25 . 1 . . . . 239 GLY N . 16984 1 932 . 1 1 240 240 GLN H H 1 8.363 0.03 . 1 . . . . 240 GLN H . 16984 1 933 . 1 1 240 240 GLN C C 13 172.753 0.4 . 1 . . . . 240 GLN C . 16984 1 934 . 1 1 240 240 GLN CA C 13 53.927 0.20 . 1 . . . . 240 GLN CA . 16984 1 935 . 1 1 240 240 GLN CB C 13 26.647 0.12 . 1 . . . . 240 GLN CB . 16984 1 936 . 1 1 240 240 GLN N N 15 118.681 0.25 . 1 . . . . 240 GLN N . 16984 1 937 . 1 1 241 241 MET H H 1 7.350 0.03 . 1 . . . . 241 MET H . 16984 1 938 . 1 1 241 241 MET C C 13 174.491 0.4 . 1 . . . . 241 MET C . 16984 1 939 . 1 1 241 241 MET CA C 13 52.078 0.20 . 1 . . . . 241 MET CA . 16984 1 940 . 1 1 241 241 MET CB C 13 34.000 0.12 . 1 . . . . 241 MET CB . 16984 1 941 . 1 1 241 241 MET N N 15 115.633 0.25 . 1 . . . . 241 MET N . 16984 1 942 . 1 1 242 242 THR H H 1 8.957 0.03 . 1 . . . . 242 THR H . 16984 1 943 . 1 1 242 242 THR C C 13 174.501 0.4 . 1 . . . . 242 THR C . 16984 1 944 . 1 1 242 242 THR CA C 13 62.784 0.20 . 1 . . . . 242 THR CA . 16984 1 945 . 1 1 242 242 THR CB C 13 65.941 0.12 . 1 . . . . 242 THR CB . 16984 1 946 . 1 1 242 242 THR N N 15 119.588 0.25 . 1 . . . . 242 THR N . 16984 1 947 . 1 1 243 243 ALA H H 1 7.846 0.03 . 1 . . . . 243 ALA H . 16984 1 948 . 1 1 243 243 ALA C C 13 172.328 0.4 . 1 . . . . 243 ALA C . 16984 1 949 . 1 1 243 243 ALA CA C 13 48.233 0.20 . 1 . . . . 243 ALA CA . 16984 1 950 . 1 1 243 243 ALA CB C 13 19.856 0.12 . 1 . . . . 243 ALA CB . 16984 1 951 . 1 1 243 243 ALA N N 15 115.237 0.25 . 1 . . . . 243 ALA N . 16984 1 952 . 1 1 244 244 THR H H 1 8.635 0.03 . 1 . . . . 244 THR H . 16984 1 953 . 1 1 244 244 THR C C 13 171.031 0.4 . 1 . . . . 244 THR C . 16984 1 954 . 1 1 244 244 THR CA C 13 57.588 0.20 . 1 . . . . 244 THR CA . 16984 1 955 . 1 1 244 244 THR CB C 13 64.394 0.12 . 1 . . . . 244 THR CB . 16984 1 956 . 1 1 244 244 THR N N 15 112.364 0.25 . 1 . . . . 244 THR N . 16984 1 957 . 1 1 245 245 VAL H H 1 7.914 0.03 . 1 . . . . 245 VAL H . 16984 1 958 . 1 1 245 245 VAL C C 13 173.985 0.4 . 1 . . . . 245 VAL C . 16984 1 959 . 1 1 245 245 VAL CA C 13 59.213 0.20 . 1 . . . . 245 VAL CA . 16984 1 960 . 1 1 245 245 VAL CB C 13 26.316 0.12 . 1 . . . . 245 VAL CB . 16984 1 961 . 1 1 245 245 VAL N N 15 121.602 0.25 . 1 . . . . 245 VAL N . 16984 1 962 . 1 1 246 246 ALA H H 1 9.398 0.03 . 1 . . . . 246 ALA H . 16984 1 963 . 1 1 246 246 ALA C C 13 170.563 0.4 . 1 . . . . 246 ALA C . 16984 1 964 . 1 1 246 246 ALA CA C 13 49.865 0.20 . 1 . . . . 246 ALA CA . 16984 1 965 . 1 1 246 246 ALA CB C 13 16.372 0.12 . 1 . . . . 246 ALA CB . 16984 1 966 . 1 1 246 246 ALA N N 15 131.425 0.25 . 1 . . . . 246 ALA N . 16984 1 967 . 1 1 247 247 GLN H H 1 7.609 0.03 . 1 . . . . 247 GLN H . 16984 1 968 . 1 1 247 247 GLN C C 13 174.501 0.4 . 1 . . . . 247 GLN C . 16984 1 969 . 1 1 247 247 GLN CA C 13 51.682 0.20 . 1 . . . . 247 GLN CA . 16984 1 970 . 1 1 247 247 GLN CB C 13 32.369 0.12 . 1 . . . . 247 GLN CB . 16984 1 971 . 1 1 247 247 GLN N N 15 117.850 0.25 . 1 . . . . 247 GLN N . 16984 1 972 . 1 1 248 248 ASN H H 1 9.317 0.03 . 1 . . . . 248 ASN H . 16984 1 973 . 1 1 248 248 ASN CA C 13 46.829 0.20 . 1 . . . . 248 ASN CA . 16984 1 974 . 1 1 248 248 ASN CB C 13 35.155 0.12 . 1 . . . . 248 ASN CB . 16984 1 975 . 1 1 248 248 ASN N N 15 116.172 0.25 . 1 . . . . 248 ASN N . 16984 1 976 . 1 1 249 249 PRO C C 13 169.706 0.4 . 1 . . . . 249 PRO C . 16984 1 977 . 1 1 249 249 PRO CA C 13 60.760 0.20 . 1 . . . . 249 PRO CA . 16984 1 978 . 1 1 249 249 PRO CB C 13 27.360 0.12 . 1 . . . . 249 PRO CB . 16984 1 979 . 1 1 250 250 ALA H H 1 8.406 0.03 . 1 . . . . 250 ALA H . 16984 1 980 . 1 1 250 250 ALA C C 13 169.694 0.4 . 1 . . . . 250 ALA C . 16984 1 981 . 1 1 250 250 ALA CA C 13 53.136 0.20 . 1 . . . . 250 ALA CA . 16984 1 982 . 1 1 250 250 ALA CB C 13 14.236 0.12 . 1 . . . . 250 ALA CB . 16984 1 983 . 1 1 250 250 ALA N N 15 119.152 0.25 . 1 . . . . 250 ALA N . 16984 1 984 . 1 1 251 251 ASP H H 1 7.111 0.03 . 1 . . . . 251 ASP H . 16984 1 985 . 1 1 251 251 ASP C C 13 167.939 0.4 . 1 . . . . 251 ASP C . 16984 1 986 . 1 1 251 251 ASP CA C 13 53.327 0.20 . 1 . . . . 251 ASP CA . 16984 1 987 . 1 1 251 251 ASP CB C 13 37.880 0.12 . 1 . . . . 251 ASP CB . 16984 1 988 . 1 1 251 251 ASP N N 15 116.527 0.25 . 1 . . . . 251 ASP N . 16984 1 989 . 1 1 252 252 ILE H H 1 7.865 0.03 . 1 . . . . 252 ILE H . 16984 1 990 . 1 1 252 252 ILE C C 13 170.568 0.4 . 1 . . . . 252 ILE C . 16984 1 991 . 1 1 252 252 ILE CA C 13 62.696 0.20 . 1 . . . . 252 ILE CA . 16984 1 992 . 1 1 252 252 ILE CB C 13 35.045 0.12 . 1 . . . . 252 ILE CB . 16984 1 993 . 1 1 252 252 ILE N N 15 121.683 0.25 . 1 . . . . 252 ILE N . 16984 1 994 . 1 1 253 253 GLY H H 1 8.200 0.03 . 1 . . . . 253 GLY H . 16984 1 995 . 1 1 253 253 GLY C C 13 174.044 0.4 . 1 . . . . 253 GLY C . 16984 1 996 . 1 1 253 253 GLY CA C 13 44.384 0.20 . 1 . . . . 253 GLY CA . 16984 1 997 . 1 1 253 253 GLY N N 15 102.966 0.25 . 1 . . . . 253 GLY N . 16984 1 998 . 1 1 254 254 ALA H H 1 8.710 0.03 . 1 . . . . 254 ALA H . 16984 1 999 . 1 1 254 254 ALA CA C 13 52.746 0.20 . 1 . . . . 254 ALA CA . 16984 1 1000 . 1 1 254 254 ALA CB C 13 15.761 0.12 . 1 . . . . 254 ALA CB . 16984 1 1001 . 1 1 254 254 ALA N N 15 123.447 0.25 . 1 . . . . 254 ALA N . 16984 1 1002 . 1 1 255 255 THR H H 1 8.298 0.03 . 1 . . . . 255 THR H . 16984 1 1003 . 1 1 255 255 THR CA C 13 63.692 0.20 . 1 . . . . 255 THR CA . 16984 1 1004 . 1 1 255 255 THR CB C 13 64.861 0.12 . 1 . . . . 255 THR CB . 16984 1 1005 . 1 1 255 255 THR N N 15 113.071 0.25 . 1 . . . . 255 THR N . 16984 1 1006 . 1 1 256 256 GLY H H 1 8.133 0.03 . 1 . . . . 256 GLY H . 16984 1 1007 . 1 1 256 256 GLY CA C 13 44.621 0.20 . 1 . . . . 256 GLY CA . 16984 1 1008 . 1 1 256 256 GLY N N 15 107.148 0.25 . 1 . . . . 256 GLY N . 16984 1 1009 . 1 1 257 257 LEU C C 13 170.116 0.4 . 1 . . . . 257 LEU C . 16984 1 1010 . 1 1 257 257 LEU CA C 13 59.530 0.20 . 1 . . . . 257 LEU CA . 16984 1 1011 . 1 1 257 257 LEU CB C 13 41.520 0.12 . 1 . . . . 257 LEU CB . 16984 1 1012 . 1 1 258 258 LYS H H 1 8.779 0.03 . 1 . . . . 258 LYS H . 16984 1 1013 . 1 1 258 258 LYS CA C 13 54.492 0.20 . 1 . . . . 258 LYS CA . 16984 1 1014 . 1 1 258 258 LYS CB C 13 38.163 0.12 . 1 . . . . 258 LYS CB . 16984 1 1015 . 1 1 258 258 LYS N N 15 120.588 0.25 . 1 . . . . 258 LYS N . 16984 1 1016 . 1 1 259 259 LEU H H 1 7.614 0.03 . 1 . . . . 259 LEU H . 16984 1 1017 . 1 1 259 259 LEU C C 13 170.139 0.4 . 1 . . . . 259 LEU C . 16984 1 1018 . 1 1 259 259 LEU CA C 13 55.084 0.20 . 1 . . . . 259 LEU CA . 16984 1 1019 . 1 1 259 259 LEU CB C 13 40.320 0.12 . 1 . . . . 259 LEU CB . 16984 1 1020 . 1 1 259 259 LEU N N 15 116.660 0.25 . 1 . . . . 259 LEU N . 16984 1 1021 . 1 1 260 260 MET H H 1 7.786 0.03 . 1 . . . . 260 MET H . 16984 1 1022 . 1 1 260 260 MET C C 13 171.870 0.4 . 1 . . . . 260 MET C . 16984 1 1023 . 1 1 260 260 MET CA C 13 54.345 0.20 . 1 . . . . 260 MET CA . 16984 1 1024 . 1 1 260 260 MET CB C 13 27.652 0.12 . 1 . . . . 260 MET CB . 16984 1 1025 . 1 1 260 260 MET N N 15 116.295 0.25 . 1 . . . . 260 MET N . 16984 1 1026 . 1 1 261 261 VAL H H 1 7.906 0.03 . 1 . . . . 261 VAL H . 16984 1 1027 . 1 1 261 261 VAL CA C 13 58.890 0.20 . 1 . . . . 261 VAL CA . 16984 1 1028 . 1 1 261 261 VAL CB C 13 36.306 0.12 . 1 . . . . 261 VAL CB . 16984 1 1029 . 1 1 261 261 VAL N N 15 116.126 0.25 . 1 . . . . 261 VAL N . 16984 1 1030 . 1 1 262 262 ASP C C 13 168.714 0.4 . 1 . . . . 262 ASP C . 16984 1 1031 . 1 1 262 262 ASP CA C 13 53.970 0.20 . 1 . . . . 262 ASP CA . 16984 1 1032 . 1 1 262 262 ASP CB C 13 36.740 0.12 . 1 . . . . 262 ASP CB . 16984 1 1033 . 1 1 263 263 ALA H H 1 7.845 0.03 . 1 . . . . 263 ALA H . 16984 1 1034 . 1 1 263 263 ALA CA C 13 51.706 0.20 . 1 . . . . 263 ALA CA . 16984 1 1035 . 1 1 263 263 ALA CB C 13 14.070 0.12 . 1 . . . . 263 ALA CB . 16984 1 1036 . 1 1 263 263 ALA N N 15 123.484 0.25 . 1 . . . . 263 ALA N . 16984 1 1037 . 1 1 264 264 GLU C C 13 170.131 0.4 . 1 . . . . 264 GLU C . 16984 1 1038 . 1 1 264 264 GLU CA C 13 56.700 0.20 . 1 . . . . 264 GLU CA . 16984 1 1039 . 1 1 264 264 GLU CB C 13 28.600 0.12 . 1 . . . . 264 GLU CB . 16984 1 1040 . 1 1 265 265 LYS H H 1 8.117 0.03 . 1 . . . . 265 LYS H . 16984 1 1041 . 1 1 265 265 LYS CA C 13 54.735 0.20 . 1 . . . . 265 LYS CA . 16984 1 1042 . 1 1 265 265 LYS CB C 13 38.118 0.12 . 1 . . . . 265 LYS CB . 16984 1 1043 . 1 1 265 265 LYS N N 15 116.231 0.25 . 1 . . . . 265 LYS N . 16984 1 1044 . 1 1 267 267 GLY C C 13 174.074 0.4 . 1 . . . . 267 GLY C . 16984 1 1045 . 1 1 267 267 GLY CA C 13 42.449 0.20 . 1 . . . . 267 GLY CA . 16984 1 1046 . 1 1 268 268 LYS H H 1 8.131 0.03 . 1 . . . . 268 LYS H . 16984 1 1047 . 1 1 268 268 LYS C C 13 171.892 0.4 . 1 . . . . 268 LYS C . 16984 1 1048 . 1 1 268 268 LYS CA C 13 53.155 0.20 . 1 . . . . 268 LYS CA . 16984 1 1049 . 1 1 268 268 LYS CB C 13 30.439 0.12 . 1 . . . . 268 LYS CB . 16984 1 1050 . 1 1 268 268 LYS N N 15 118.378 0.25 . 1 . . . . 268 LYS N . 16984 1 1051 . 1 1 269 269 VAL H H 1 7.068 0.03 . 1 . . . . 269 VAL H . 16984 1 1052 . 1 1 269 269 VAL C C 13 171.406 0.4 . 1 . . . . 269 VAL C . 16984 1 1053 . 1 1 269 269 VAL CA C 13 57.584 0.20 . 1 . . . . 269 VAL CA . 16984 1 1054 . 1 1 269 269 VAL CB C 13 35.798 0.12 . 1 . . . . 269 VAL CB . 16984 1 1055 . 1 1 269 269 VAL N N 15 118.474 0.25 . 1 . . . . 269 VAL N . 16984 1 1056 . 1 1 270 270 ILE H H 1 10.598 0.03 . 1 . . . . 270 ILE H . 16984 1 1057 . 1 1 270 270 ILE CA C 13 56.162 0.20 . 1 . . . . 270 ILE CA . 16984 1 1058 . 1 1 270 270 ILE CB C 13 37.029 0.12 . 1 . . . . 270 ILE CB . 16984 1 1059 . 1 1 270 270 ILE N N 15 130.211 0.25 . 1 . . . . 270 ILE N . 16984 1 1060 . 1 1 271 271 PRO CA C 13 61.453 0.20 . 1 . . . . 271 PRO CA . 16984 1 1061 . 1 1 271 271 PRO CB C 13 29.793 0.12 . 1 . . . . 271 PRO CB . 16984 1 1062 . 1 1 272 272 LEU C C 13 171.447 0.4 . 1 . . . . 272 LEU C . 16984 1 1063 . 1 1 272 272 LEU CA C 13 56.300 0.20 . 1 . . . . 272 LEU CA . 16984 1 1064 . 1 1 272 272 LEU CB C 13 26.880 0.12 . 1 . . . . 272 LEU CB . 16984 1 1065 . 1 1 273 273 ASP H H 1 8.053 0.03 . 1 . . . . 273 ASP H . 16984 1 1066 . 1 1 273 273 ASP C C 13 172.741 0.4 . 1 . . . . 273 ASP C . 16984 1 1067 . 1 1 273 273 ASP CA C 13 50.260 0.20 . 1 . . . . 273 ASP CA . 16984 1 1068 . 1 1 273 273 ASP CB C 13 31.149 0.12 . 1 . . . . 273 ASP CB . 16984 1 1069 . 1 1 273 273 ASP N N 15 110.666 0.25 . 1 . . . . 273 ASP N . 16984 1 1070 . 1 1 274 274 LYS H H 1 7.108 0.03 . 1 . . . . 274 LYS H . 16984 1 1071 . 1 1 274 274 LYS C C 13 173.344 0.4 . 1 . . . . 274 LYS C . 16984 1 1072 . 1 1 274 274 LYS CA C 13 51.939 0.20 . 1 . . . . 274 LYS CA . 16984 1 1073 . 1 1 274 274 LYS CB C 13 34.580 0.12 . 1 . . . . 274 LYS CB . 16984 1 1074 . 1 1 274 274 LYS N N 15 121.200 0.25 . 1 . . . . 274 LYS N . 16984 1 1075 . 1 1 275 275 ALA H H 1 8.462 0.03 . 1 . . . . 275 ALA H . 16984 1 1076 . 1 1 275 275 ALA CA C 13 47.224 0.20 . 1 . . . . 275 ALA CA . 16984 1 1077 . 1 1 275 275 ALA CB C 13 18.930 0.12 . 1 . . . . 275 ALA CB . 16984 1 1078 . 1 1 275 275 ALA N N 15 128.919 0.25 . 1 . . . . 275 ALA N . 16984 1 1079 . 1 1 276 276 PRO CA C 13 59.810 0.20 . 1 . . . . 276 PRO CA . 16984 1 1080 . 1 1 276 276 PRO CB C 13 28.530 0.12 . 1 . . . . 276 PRO CB . 16984 1 1081 . 1 1 277 277 GLU H H 1 7.912 0.03 . 1 . . . . 277 GLU H . 16984 1 1082 . 1 1 277 277 GLU C C 13 173.139 0.4 . 1 . . . . 277 GLU C . 16984 1 1083 . 1 1 277 277 GLU CA C 13 53.727 0.20 . 1 . . . . 277 GLU CA . 16984 1 1084 . 1 1 277 277 GLU CB C 13 29.880 0.12 . 1 . . . . 277 GLU CB . 16984 1 1085 . 1 1 277 277 GLU N N 15 121.602 0.25 . 1 . . . . 277 GLU N . 16984 1 1086 . 1 1 278 278 PHE H H 1 8.731 0.03 . 1 . . . . 278 PHE H . 16984 1 1087 . 1 1 278 278 PHE C C 13 173.139 0.4 . 1 . . . . 278 PHE C . 16984 1 1088 . 1 1 278 278 PHE CA C 13 52.640 0.20 . 1 . . . . 278 PHE CA . 16984 1 1089 . 1 1 278 278 PHE CB C 13 37.867 0.12 . 1 . . . . 278 PHE CB . 16984 1 1090 . 1 1 278 278 PHE N N 15 124.152 0.25 . 1 . . . . 278 PHE N . 16984 1 1091 . 1 1 279 279 LYS H H 1 8.412 0.03 . 1 . . . . 279 LYS H . 16984 1 1092 . 1 1 279 279 LYS C C 13 174.935 0.4 . 1 . . . . 279 LYS C . 16984 1 1093 . 1 1 279 279 LYS CA C 13 50.832 0.20 . 1 . . . . 279 LYS CA . 16984 1 1094 . 1 1 279 279 LYS CB C 13 31.495 0.12 . 1 . . . . 279 LYS CB . 16984 1 1095 . 1 1 279 279 LYS N N 15 124.624 0.25 . 1 . . . . 279 LYS N . 16984 1 1096 . 1 1 280 280 LEU H H 1 8.119 0.03 . 1 . . . . 280 LEU H . 16984 1 1097 . 1 1 280 280 LEU C C 13 171.091 0.4 . 1 . . . . 280 LEU C . 16984 1 1098 . 1 1 280 280 LEU CA C 13 49.704 0.20 . 1 . . . . 280 LEU CA . 16984 1 1099 . 1 1 280 280 LEU CB C 13 41.125 0.12 . 1 . . . . 280 LEU CB . 16984 1 1100 . 1 1 280 280 LEU N N 15 122.074 0.25 . 1 . . . . 280 LEU N . 16984 1 1101 . 1 1 281 281 VAL H H 1 8.555 0.03 . 1 . . . . 281 VAL H . 16984 1 1102 . 1 1 281 281 VAL C C 13 172.314 0.4 . 1 . . . . 281 VAL C . 16984 1 1103 . 1 1 281 281 VAL CA C 13 58.186 0.20 . 1 . . . . 281 VAL CA . 16984 1 1104 . 1 1 281 281 VAL CB C 13 29.635 0.12 . 1 . . . . 281 VAL CB . 16984 1 1105 . 1 1 281 281 VAL N N 15 124.152 0.25 . 1 . . . . 281 VAL N . 16984 1 1106 . 1 1 282 282 ASP H H 1 8.556 0.03 . 1 . . . . 282 ASP H . 16984 1 1107 . 1 1 282 282 ASP C C 13 172.747 0.4 . 1 . . . . 282 ASP C . 16984 1 1108 . 1 1 282 282 ASP CA C 13 52.309 0.20 . 1 . . . . 282 ASP CA . 16984 1 1109 . 1 1 282 282 ASP CB C 13 38.957 0.12 . 1 . . . . 282 ASP CB . 16984 1 1110 . 1 1 282 282 ASP N N 15 126.514 0.25 . 1 . . . . 282 ASP N . 16984 1 1111 . 1 1 283 283 SER H H 1 8.589 0.03 . 1 . . . . 283 SER H . 16984 1 1112 . 1 1 283 283 SER C C 13 174.522 0.4 . 1 . . . . 283 SER C . 16984 1 1113 . 1 1 283 283 SER CA C 13 53.747 0.20 . 1 . . . . 283 SER CA . 16984 1 1114 . 1 1 283 283 SER CB C 13 64.040 0.12 . 1 . . . . 283 SER CB . 16984 1 1115 . 1 1 283 283 SER N N 15 114.634 0.25 . 1 . . . . 283 SER N . 16984 1 1116 . 1 1 284 284 ILE H H 1 8.527 0.03 . 1 . . . . 284 ILE H . 16984 1 1117 . 1 1 284 284 ILE CA C 13 56.911 0.20 . 1 . . . . 284 ILE CA . 16984 1 1118 . 1 1 284 284 ILE CB C 13 38.986 0.12 . 1 . . . . 284 ILE CB . 16984 1 1119 . 1 1 284 284 ILE N N 15 117.280 0.25 . 1 . . . . 284 ILE N . 16984 1 1120 . 1 1 285 285 LEU H H 1 8.594 0.03 . 1 . . . . 285 LEU H . 16984 1 1121 . 1 1 285 285 LEU C C 13 173.338 0.4 . 1 . . . . 285 LEU C . 16984 1 1122 . 1 1 285 285 LEU CA C 13 52.906 0.20 . 1 . . . . 285 LEU CA . 16984 1 1123 . 1 1 285 285 LEU CB C 13 39.417 0.12 . 1 . . . . 285 LEU CB . 16984 1 1124 . 1 1 285 285 LEU N N 15 129.737 0.25 . 1 . . . . 285 LEU N . 16984 1 1125 . 1 1 286 286 VAL H H 1 9.049 0.03 . 1 . . . . 286 VAL H . 16984 1 1126 . 1 1 286 286 VAL C C 13 173.193 0.4 . 1 . . . . 286 VAL C . 16984 1 1127 . 1 1 286 286 VAL CA C 13 59.406 0.20 . 1 . . . . 286 VAL CA . 16984 1 1128 . 1 1 286 286 VAL CB C 13 29.103 0.12 . 1 . . . . 286 VAL CB . 16984 1 1129 . 1 1 286 286 VAL N N 15 129.735 0.25 . 1 . . . . 286 VAL N . 16984 1 1130 . 1 1 287 287 THR H H 1 8.268 0.03 . 1 . . . . 287 THR H . 16984 1 1131 . 1 1 287 287 THR C C 13 174.934 0.4 . 1 . . . . 287 THR C . 16984 1 1132 . 1 1 287 287 THR CA C 13 57.128 0.20 . 1 . . . . 287 THR CA . 16984 1 1133 . 1 1 287 287 THR CB C 13 67.884 0.12 . 1 . . . . 287 THR CB . 16984 1 1134 . 1 1 287 287 THR N N 15 115.926 0.25 . 1 . . . . 287 THR N . 16984 1 1135 . 1 1 288 288 GLN H H 1 8.909 0.03 . 1 . . . . 288 GLN H . 16984 1 1136 . 1 1 288 288 GLN CA C 13 52.078 0.20 . 1 . . . . 288 GLN CA . 16984 1 1137 . 1 1 288 288 GLN CB C 13 35.318 0.12 . 1 . . . . 288 GLN CB . 16984 1 1138 . 1 1 288 288 GLN N N 15 125.528 0.25 . 1 . . . . 288 GLN N . 16984 1 stop_ save_