data_17643 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17643 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for full-length YtvA from Bacillus subtilis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-05-13 _Entry.Accession_date 2011-05-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Marcel Jurk . . . 17643 2 Peter Schmieder . . . 17643 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Schmieder group; FMP Berlin' . 17643 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17643 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 782 17643 '15N chemical shifts' 242 17643 '1H chemical shifts' 347 17643 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 . . 2012-03-07 2011-05-13 update BMRB 'update entry citation' 17643 1 . . 2011-08-12 2011-05-13 original author 'original release' 17643 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 17643 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21851109 _Citation.Full_citation . _Citation.Title 'Blue flickers of hope: secondary structure, dynamics, and putative dimerization interface of the blue-light receptor YtvA from Bacillus subtilis.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 50 _Citation.Journal_issue 38 _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 8163 _Citation.Page_last 8171 _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 Marcel Jurk . . . 17643 1 2 Matthias Dorn . . . 17643 1 3 Peter Schmieder . . . 17643 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID assignment 17643 1 Photoreceptor 17643 1 relaxation 17643 1 'solvent accessibility' 17643 1 YtvA 17643 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17643 _Assembly.ID 1 _Assembly.Name 'YtvA Dimer' _Assembly.BMRB_code . _Assembly.Number_of_components 4 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 59000 _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 'Monomer 1' 1 $YtvA A . yes native no no 1 'First monomer' . 17643 1 2 'Monomer 2' 1 $YtvA B . yes native no no 1 'Second monomer' . 17643 1 3 'Cofactor 1' 2 $FMN A . no native no no 2 'First chromophore' . 17643 1 4 'Cofactor 2' 2 $FMN B . no native no no 2 'Second chromophore' . 17643 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Blue-light detection' 17643 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YtvA _Entity.Sf_category entity _Entity.Sf_framecode YtvA _Entity.Entry_ID 17643 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YtvA _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 ; GASFQSFGIPGQLEVIKKAL DHVRVGVVITDPALEDNPIV YVNQGFVQMTGYETEEILGK NCRFLQGKHTDPAEVDNIRT ALQNKEPVTVQIQNYKKDGT MFWNELNIDPMEIEDKTYFV GIQNDITKQKEYEKLLEDSL TEITALSTPIVPIRNGISAL PLVGNLTEERFNSIVCTLTN ILSTSKDDYLIIDLSGLAQV NEQTADQIFKLSHLLKLTGT ELIITGIKPELAMKMNKLDA NFSSLKTYSNVKDAVKVLPI M ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Gly1 is a remainder of the proteolytic cleavage site' _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 261 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 29500 _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 DBJ BAI86545 . "hypothetical protein BSNT_09454 [Bacillus subtilis subsp. natto BEST195]" . . . . . 99.62 261 98.46 98.85 0.00e+00 . . . . 17643 1 2 no DBJ BAM54284 . "blue light GTP-binding receptor [Synechocystis sp. PCC 6803]" . . . . . 99.62 261 100.00 100.00 0.00e+00 . . . . 17643 1 3 no DBJ BAM59113 . "blue light GTP-binding receptor [Bacillus subtilis BEST7003]" . . . . . 99.62 261 100.00 100.00 0.00e+00 . . . . 17643 1 4 no DBJ GAK82103 . "blue light GTP-binding receptor [Bacillus subtilis Miyagi-4]" . . . . . 99.62 261 98.46 98.85 0.00e+00 . . . . 17643 1 5 no EMBL CAB15012 . "blue light GTP-binding receptor [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 99.62 261 100.00 100.00 0.00e+00 . . . . 17643 1 6 no EMBL CCU59545 . "RsbR, positive regulator of sigma-B [Bacillus subtilis E1]" . . . . . 99.62 261 99.23 99.62 0.00e+00 . . . . 17643 1 7 no EMBL CEI58264 . "blue-light photoreceptor [Bacillus subtilis]" . . . . . 99.62 261 100.00 100.00 0.00e+00 . . . . 17643 1 8 no EMBL CEJ78686 . "blue-light photoreceptor [Bacillus sp.]" . . . . . 99.62 261 100.00 100.00 0.00e+00 . . . . 17643 1 9 no EMBL CJR42913 . "Phototropin homolog [Streptococcus pneumoniae]" . . . . . 99.62 261 98.08 98.46 0.00e+00 . . . . 17643 1 10 no GB AAC00382 . "putative protein kinase [Bacillus subtilis]" . . . . . 99.62 261 100.00 100.00 0.00e+00 . . . . 17643 1 11 no GB ABN71355 . "FMN-based fluorescence protein [synthetic construct]" . . . . . 52.11 137 99.26 99.26 1.37e-92 . . . . 17643 1 12 no GB ACR16779 . "FMN-based fluorescent protein CaFbFP [synthetic construct]" . . . . . 52.11 278 99.26 99.26 1.87e-90 . . . . 17643 1 13 no GB ACR43777 . "FMN-based fluorescent protein CaFbFP [synthetic construct]" . . . . . 52.11 137 99.26 99.26 1.37e-92 . . . . 17643 1 14 no GB ADJ00051 . "Evoglow [Promoter probe vector pEvoGlowRed]" . . . . . 52.11 143 99.26 99.26 9.82e-93 . . . . 17643 1 15 no REF NP_390912 . "blue-light photoreceptor [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 99.62 261 100.00 100.00 0.00e+00 . . . . 17643 1 16 no REF WP_003229169 . "biphenyl 2,3-dioxygenase [Bacillus subtilis]" . . . . . 99.62 261 99.23 99.62 0.00e+00 . . . . 17643 1 17 no REF WP_004399022 . "MULTISPECIES: blue-light photoreceptor [Bacillus]" . . . . . 99.62 261 100.00 100.00 0.00e+00 . . . . 17643 1 18 no REF WP_014477717 . "MULTISPECIES: biphenyl 2,3-dioxygenase [Bacillus]" . . . . . 99.62 261 99.23 99.62 0.00e+00 . . . . 17643 1 19 no REF WP_014480616 . "hypothetical protein [Bacillus subtilis]" . . . . . 99.62 261 98.46 98.85 0.00e+00 . . . . 17643 1 20 no SP O34627 . "RecName: Full=Blue-light photoreceptor; AltName: Full=Photoactive flavo-yellow protein; AltName: Full=Phototropin homolog" . . . . . 99.62 261 100.00 100.00 0.00e+00 . . . . 17643 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Blue-light receptor' 17643 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 . GLY . 17643 1 2 . ALA . 17643 1 3 . SER . 17643 1 4 . PHE . 17643 1 5 . GLN . 17643 1 6 . SER . 17643 1 7 . PHE . 17643 1 8 . GLY . 17643 1 9 . ILE . 17643 1 10 . PRO . 17643 1 11 . GLY . 17643 1 12 . GLN . 17643 1 13 . LEU . 17643 1 14 . GLU . 17643 1 15 . VAL . 17643 1 16 . ILE . 17643 1 17 . LYS . 17643 1 18 . LYS . 17643 1 19 . ALA . 17643 1 20 . LEU . 17643 1 21 . ASP . 17643 1 22 . HIS . 17643 1 23 . VAL . 17643 1 24 . ARG . 17643 1 25 . VAL . 17643 1 26 . GLY . 17643 1 27 . VAL . 17643 1 28 . VAL . 17643 1 29 . ILE . 17643 1 30 . THR . 17643 1 31 . ASP . 17643 1 32 . PRO . 17643 1 33 . ALA . 17643 1 34 . LEU . 17643 1 35 . GLU . 17643 1 36 . ASP . 17643 1 37 . ASN . 17643 1 38 . PRO . 17643 1 39 . ILE . 17643 1 40 . VAL . 17643 1 41 . TYR . 17643 1 42 . VAL . 17643 1 43 . ASN . 17643 1 44 . GLN . 17643 1 45 . GLY . 17643 1 46 . PHE . 17643 1 47 . VAL . 17643 1 48 . GLN . 17643 1 49 . MET . 17643 1 50 . THR . 17643 1 51 . GLY . 17643 1 52 . TYR . 17643 1 53 . GLU . 17643 1 54 . THR . 17643 1 55 . GLU . 17643 1 56 . GLU . 17643 1 57 . ILE . 17643 1 58 . LEU . 17643 1 59 . GLY . 17643 1 60 . LYS . 17643 1 61 . ASN . 17643 1 62 . CYS . 17643 1 63 . ARG . 17643 1 64 . PHE . 17643 1 65 . LEU . 17643 1 66 . GLN . 17643 1 67 . GLY . 17643 1 68 . LYS . 17643 1 69 . HIS . 17643 1 70 . THR . 17643 1 71 . ASP . 17643 1 72 . PRO . 17643 1 73 . ALA . 17643 1 74 . GLU . 17643 1 75 . VAL . 17643 1 76 . ASP . 17643 1 77 . ASN . 17643 1 78 . ILE . 17643 1 79 . ARG . 17643 1 80 . THR . 17643 1 81 . ALA . 17643 1 82 . LEU . 17643 1 83 . GLN . 17643 1 84 . ASN . 17643 1 85 . LYS . 17643 1 86 . GLU . 17643 1 87 . PRO . 17643 1 88 . VAL . 17643 1 89 . THR . 17643 1 90 . VAL . 17643 1 91 . GLN . 17643 1 92 . ILE . 17643 1 93 . GLN . 17643 1 94 . ASN . 17643 1 95 . TYR . 17643 1 96 . LYS . 17643 1 97 . LYS . 17643 1 98 . ASP . 17643 1 99 . GLY . 17643 1 100 . THR . 17643 1 101 . MET . 17643 1 102 . PHE . 17643 1 103 . TRP . 17643 1 104 . ASN . 17643 1 105 . GLU . 17643 1 106 . LEU . 17643 1 107 . ASN . 17643 1 108 . ILE . 17643 1 109 . ASP . 17643 1 110 . PRO . 17643 1 111 . MET . 17643 1 112 . GLU . 17643 1 113 . ILE . 17643 1 114 . GLU . 17643 1 115 . ASP . 17643 1 116 . LYS . 17643 1 117 . THR . 17643 1 118 . TYR . 17643 1 119 . PHE . 17643 1 120 . VAL . 17643 1 121 . GLY . 17643 1 122 . ILE . 17643 1 123 . GLN . 17643 1 124 . ASN . 17643 1 125 . ASP . 17643 1 126 . ILE . 17643 1 127 . THR . 17643 1 128 . LYS . 17643 1 129 . GLN . 17643 1 130 . LYS . 17643 1 131 . GLU . 17643 1 132 . TYR . 17643 1 133 . GLU . 17643 1 134 . LYS . 17643 1 135 . LEU . 17643 1 136 . LEU . 17643 1 137 . GLU . 17643 1 138 . ASP . 17643 1 139 . SER . 17643 1 140 . LEU . 17643 1 141 . THR . 17643 1 142 . GLU . 17643 1 143 . ILE . 17643 1 144 . THR . 17643 1 145 . ALA . 17643 1 146 . LEU . 17643 1 147 . SER . 17643 1 148 . THR . 17643 1 149 . PRO . 17643 1 150 . ILE . 17643 1 151 . VAL . 17643 1 152 . PRO . 17643 1 153 . ILE . 17643 1 154 . ARG . 17643 1 155 . ASN . 17643 1 156 . GLY . 17643 1 157 . ILE . 17643 1 158 . SER . 17643 1 159 . ALA . 17643 1 160 . LEU . 17643 1 161 . PRO . 17643 1 162 . LEU . 17643 1 163 . VAL . 17643 1 164 . GLY . 17643 1 165 . ASN . 17643 1 166 . LEU . 17643 1 167 . THR . 17643 1 168 . GLU . 17643 1 169 . GLU . 17643 1 170 . ARG . 17643 1 171 . PHE . 17643 1 172 . ASN . 17643 1 173 . SER . 17643 1 174 . ILE . 17643 1 175 . VAL . 17643 1 176 . CYS . 17643 1 177 . THR . 17643 1 178 . LEU . 17643 1 179 . THR . 17643 1 180 . ASN . 17643 1 181 . ILE . 17643 1 182 . LEU . 17643 1 183 . SER . 17643 1 184 . THR . 17643 1 185 . SER . 17643 1 186 . LYS . 17643 1 187 . ASP . 17643 1 188 . ASP . 17643 1 189 . TYR . 17643 1 190 . LEU . 17643 1 191 . ILE . 17643 1 192 . ILE . 17643 1 193 . ASP . 17643 1 194 . LEU . 17643 1 195 . SER . 17643 1 196 . GLY . 17643 1 197 . LEU . 17643 1 198 . ALA . 17643 1 199 . GLN . 17643 1 200 . VAL . 17643 1 201 . ASN . 17643 1 202 . GLU . 17643 1 203 . GLN . 17643 1 204 . THR . 17643 1 205 . ALA . 17643 1 206 . ASP . 17643 1 207 . GLN . 17643 1 208 . ILE . 17643 1 209 . PHE . 17643 1 210 . LYS . 17643 1 211 . LEU . 17643 1 212 . SER . 17643 1 213 . HIS . 17643 1 214 . LEU . 17643 1 215 . LEU . 17643 1 216 . LYS . 17643 1 217 . LEU . 17643 1 218 . THR . 17643 1 219 . GLY . 17643 1 220 . THR . 17643 1 221 . GLU . 17643 1 222 . LEU . 17643 1 223 . ILE . 17643 1 224 . ILE . 17643 1 225 . THR . 17643 1 226 . GLY . 17643 1 227 . ILE . 17643 1 228 . LYS . 17643 1 229 . PRO . 17643 1 230 . GLU . 17643 1 231 . LEU . 17643 1 232 . ALA . 17643 1 233 . MET . 17643 1 234 . LYS . 17643 1 235 . MET . 17643 1 236 . ASN . 17643 1 237 . LYS . 17643 1 238 . LEU . 17643 1 239 . ASP . 17643 1 240 . ALA . 17643 1 241 . ASN . 17643 1 242 . PHE . 17643 1 243 . SER . 17643 1 244 . SER . 17643 1 245 . LEU . 17643 1 246 . LYS . 17643 1 247 . THR . 17643 1 248 . TYR . 17643 1 249 . SER . 17643 1 250 . ASN . 17643 1 251 . VAL . 17643 1 252 . LYS . 17643 1 253 . ASP . 17643 1 254 . ALA . 17643 1 255 . VAL . 17643 1 256 . LYS . 17643 1 257 . VAL . 17643 1 258 . LEU . 17643 1 259 . PRO . 17643 1 260 . ILE . 17643 1 261 . MET . 17643 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17643 1 . ALA 2 2 17643 1 . SER 3 3 17643 1 . PHE 4 4 17643 1 . GLN 5 5 17643 1 . SER 6 6 17643 1 . PHE 7 7 17643 1 . GLY 8 8 17643 1 . ILE 9 9 17643 1 . PRO 10 10 17643 1 . GLY 11 11 17643 1 . GLN 12 12 17643 1 . LEU 13 13 17643 1 . GLU 14 14 17643 1 . VAL 15 15 17643 1 . ILE 16 16 17643 1 . LYS 17 17 17643 1 . LYS 18 18 17643 1 . ALA 19 19 17643 1 . LEU 20 20 17643 1 . ASP 21 21 17643 1 . HIS 22 22 17643 1 . VAL 23 23 17643 1 . ARG 24 24 17643 1 . VAL 25 25 17643 1 . GLY 26 26 17643 1 . VAL 27 27 17643 1 . VAL 28 28 17643 1 . ILE 29 29 17643 1 . THR 30 30 17643 1 . ASP 31 31 17643 1 . PRO 32 32 17643 1 . ALA 33 33 17643 1 . LEU 34 34 17643 1 . GLU 35 35 17643 1 . ASP 36 36 17643 1 . ASN 37 37 17643 1 . PRO 38 38 17643 1 . ILE 39 39 17643 1 . VAL 40 40 17643 1 . TYR 41 41 17643 1 . VAL 42 42 17643 1 . ASN 43 43 17643 1 . GLN 44 44 17643 1 . GLY 45 45 17643 1 . PHE 46 46 17643 1 . VAL 47 47 17643 1 . GLN 48 48 17643 1 . MET 49 49 17643 1 . THR 50 50 17643 1 . GLY 51 51 17643 1 . TYR 52 52 17643 1 . GLU 53 53 17643 1 . THR 54 54 17643 1 . GLU 55 55 17643 1 . GLU 56 56 17643 1 . ILE 57 57 17643 1 . LEU 58 58 17643 1 . GLY 59 59 17643 1 . LYS 60 60 17643 1 . ASN 61 61 17643 1 . CYS 62 62 17643 1 . ARG 63 63 17643 1 . PHE 64 64 17643 1 . LEU 65 65 17643 1 . GLN 66 66 17643 1 . GLY 67 67 17643 1 . LYS 68 68 17643 1 . HIS 69 69 17643 1 . THR 70 70 17643 1 . ASP 71 71 17643 1 . PRO 72 72 17643 1 . ALA 73 73 17643 1 . GLU 74 74 17643 1 . VAL 75 75 17643 1 . ASP 76 76 17643 1 . ASN 77 77 17643 1 . ILE 78 78 17643 1 . ARG 79 79 17643 1 . THR 80 80 17643 1 . ALA 81 81 17643 1 . LEU 82 82 17643 1 . GLN 83 83 17643 1 . ASN 84 84 17643 1 . LYS 85 85 17643 1 . GLU 86 86 17643 1 . PRO 87 87 17643 1 . VAL 88 88 17643 1 . THR 89 89 17643 1 . VAL 90 90 17643 1 . GLN 91 91 17643 1 . ILE 92 92 17643 1 . GLN 93 93 17643 1 . ASN 94 94 17643 1 . TYR 95 95 17643 1 . LYS 96 96 17643 1 . LYS 97 97 17643 1 . ASP 98 98 17643 1 . GLY 99 99 17643 1 . THR 100 100 17643 1 . MET 101 101 17643 1 . PHE 102 102 17643 1 . TRP 103 103 17643 1 . ASN 104 104 17643 1 . GLU 105 105 17643 1 . LEU 106 106 17643 1 . ASN 107 107 17643 1 . ILE 108 108 17643 1 . ASP 109 109 17643 1 . PRO 110 110 17643 1 . MET 111 111 17643 1 . GLU 112 112 17643 1 . ILE 113 113 17643 1 . GLU 114 114 17643 1 . ASP 115 115 17643 1 . LYS 116 116 17643 1 . THR 117 117 17643 1 . TYR 118 118 17643 1 . PHE 119 119 17643 1 . VAL 120 120 17643 1 . GLY 121 121 17643 1 . ILE 122 122 17643 1 . GLN 123 123 17643 1 . ASN 124 124 17643 1 . ASP 125 125 17643 1 . ILE 126 126 17643 1 . THR 127 127 17643 1 . LYS 128 128 17643 1 . GLN 129 129 17643 1 . LYS 130 130 17643 1 . GLU 131 131 17643 1 . TYR 132 132 17643 1 . GLU 133 133 17643 1 . LYS 134 134 17643 1 . LEU 135 135 17643 1 . LEU 136 136 17643 1 . GLU 137 137 17643 1 . ASP 138 138 17643 1 . SER 139 139 17643 1 . LEU 140 140 17643 1 . THR 141 141 17643 1 . GLU 142 142 17643 1 . ILE 143 143 17643 1 . THR 144 144 17643 1 . ALA 145 145 17643 1 . LEU 146 146 17643 1 . SER 147 147 17643 1 . THR 148 148 17643 1 . PRO 149 149 17643 1 . ILE 150 150 17643 1 . VAL 151 151 17643 1 . PRO 152 152 17643 1 . ILE 153 153 17643 1 . ARG 154 154 17643 1 . ASN 155 155 17643 1 . GLY 156 156 17643 1 . ILE 157 157 17643 1 . SER 158 158 17643 1 . ALA 159 159 17643 1 . LEU 160 160 17643 1 . PRO 161 161 17643 1 . LEU 162 162 17643 1 . VAL 163 163 17643 1 . GLY 164 164 17643 1 . ASN 165 165 17643 1 . LEU 166 166 17643 1 . THR 167 167 17643 1 . GLU 168 168 17643 1 . GLU 169 169 17643 1 . ARG 170 170 17643 1 . PHE 171 171 17643 1 . ASN 172 172 17643 1 . SER 173 173 17643 1 . ILE 174 174 17643 1 . VAL 175 175 17643 1 . CYS 176 176 17643 1 . THR 177 177 17643 1 . LEU 178 178 17643 1 . THR 179 179 17643 1 . ASN 180 180 17643 1 . ILE 181 181 17643 1 . LEU 182 182 17643 1 . SER 183 183 17643 1 . THR 184 184 17643 1 . SER 185 185 17643 1 . LYS 186 186 17643 1 . ASP 187 187 17643 1 . ASP 188 188 17643 1 . TYR 189 189 17643 1 . LEU 190 190 17643 1 . ILE 191 191 17643 1 . ILE 192 192 17643 1 . ASP 193 193 17643 1 . LEU 194 194 17643 1 . SER 195 195 17643 1 . GLY 196 196 17643 1 . LEU 197 197 17643 1 . ALA 198 198 17643 1 . GLN 199 199 17643 1 . VAL 200 200 17643 1 . ASN 201 201 17643 1 . GLU 202 202 17643 1 . GLN 203 203 17643 1 . THR 204 204 17643 1 . ALA 205 205 17643 1 . ASP 206 206 17643 1 . GLN 207 207 17643 1 . ILE 208 208 17643 1 . PHE 209 209 17643 1 . LYS 210 210 17643 1 . LEU 211 211 17643 1 . SER 212 212 17643 1 . HIS 213 213 17643 1 . LEU 214 214 17643 1 . LEU 215 215 17643 1 . LYS 216 216 17643 1 . LEU 217 217 17643 1 . THR 218 218 17643 1 . GLY 219 219 17643 1 . THR 220 220 17643 1 . GLU 221 221 17643 1 . LEU 222 222 17643 1 . ILE 223 223 17643 1 . ILE 224 224 17643 1 . THR 225 225 17643 1 . GLY 226 226 17643 1 . ILE 227 227 17643 1 . LYS 228 228 17643 1 . PRO 229 229 17643 1 . GLU 230 230 17643 1 . LEU 231 231 17643 1 . ALA 232 232 17643 1 . MET 233 233 17643 1 . LYS 234 234 17643 1 . MET 235 235 17643 1 . ASN 236 236 17643 1 . LYS 237 237 17643 1 . LEU 238 238 17643 1 . ASP 239 239 17643 1 . ALA 240 240 17643 1 . ASN 241 241 17643 1 . PHE 242 242 17643 1 . SER 243 243 17643 1 . SER 244 244 17643 1 . LEU 245 245 17643 1 . LYS 246 246 17643 1 . THR 247 247 17643 1 . TYR 248 248 17643 1 . SER 249 249 17643 1 . ASN 250 250 17643 1 . VAL 251 251 17643 1 . LYS 252 252 17643 1 . ASP 253 253 17643 1 . ALA 254 254 17643 1 . VAL 255 255 17643 1 . LYS 256 256 17643 1 . VAL 257 257 17643 1 . LEU 258 258 17643 1 . PRO 259 259 17643 1 . ILE 260 260 17643 1 . MET 261 261 17643 1 stop_ save_ save_FMN _Entity.Sf_category entity _Entity.Sf_framecode FMN _Entity.Entry_ID 17643 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name FMN _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 FMN _Entity.Nonpolymer_comp_label $chem_comp_FMN _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 . FMN . 17643 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 17643 _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 $YtvA . 1423 organism . 'Bacillus subtilis' 'Bacillus subtilis' . . Bacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 17643 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 17643 _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 $YtvA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 'T7 Express Rosetta2' . . . . . . . . . . . . . . pET30EK/LIC . . . . . . 17643 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_FMN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_FMN _Chem_comp.Entry_ID 17643 _Chem_comp.ID FMN _Chem_comp.Provenance . _Chem_comp.Name 'FLAVIN MONONUCLEOTIDE' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code FMN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-10-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code FMN _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 'RIBOFLAVIN MONOPHOSPHATE' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C17 H21 N4 O9 P' _Chem_comp.Formula_weight 456.344 _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 1FLM _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 May 16 11:37:39 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 Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)O)O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 17643 FMN Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17643 FMN Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)c2cc1C SMILES_CANONICAL CACTVS 3.341 17643 FMN Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)c2cc1C SMILES CACTVS 3.341 17643 FMN FVTCRASFADXXNN-DDLGOASUDN InChIKey InChI 1.02b 17643 FMN ; InChI=1/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1/f/h20,27-28H ; InChI InChI 1.02b 17643 FMN O=P(O)(O)OCC(O)C(O)C(O)CN2c3cc(c(cc3N=C1C2=NC(=O)NC1=O)C)C SMILES ACDLabs 10.04 17643 FMN 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 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol 'SYSTEMATIC NAME' ACDLabs 10.04 17643 FMN '[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17643 FMN 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 N1 . N1 . . N . . N 0 . . . . yes no . . . . 33.864 . 7.225 . 13.583 . -2.375 -0.670 2.115 1 . 17643 FMN C2 . C2 . . C . . N 0 . . . . yes no . . . . 33.031 . 6.319 . 13.062 . -3.527 -0.439 2.740 2 . 17643 FMN O2 . O2 . . O . . N 0 . . . . no no . . . . 33.185 . 5.133 . 13.215 . -4.559 -0.724 2.160 3 . 17643 FMN N3 . N3 . . N . . N 0 . . . . yes no . . . . 31.974 . 6.721 . 12.176 . -3.621 0.087 3.969 4 . 17643 FMN C4 . C4 . . C . . N 0 . . . . yes no . . . . 31.788 . 8.007 . 11.826 . -2.518 0.428 4.675 5 . 17643 FMN O4 . O4 . . O . . N 0 . . . . no no . . . . 30.899 . 8.358 . 11.037 . -2.601 0.906 5.789 6 . 17643 FMN C4A . C4A . . C . . N 0 . . . . yes no . . . . 32.736 . 8.990 . 12.357 . -1.206 0.195 4.031 7 . 17643 FMN N5 . N5 . . N . . N 0 . . . . yes no . . . . 32.559 . 10.279 . 12.130 . -0.076 0.487 4.623 8 . 17643 FMN C5A . C5A . . C . . N 0 . . . . yes no . . . . 33.345 . 11.186 . 12.722 . 1.093 0.262 4.011 9 . 17643 FMN C6 . C6 . . C . . N 0 . . . . yes no . . . . 33.122 . 12.607 . 12.487 . 2.299 0.584 4.665 10 . 17643 FMN C7 . C7 . . C . . N 0 . . . . yes no . . . . 33.814 . 13.518 . 13.226 . 3.490 0.356 4.046 11 . 17643 FMN C7M . C7M . . C . . N 0 . . . . no no . . . . 33.489 . 15.018 . 13.122 . 4.776 0.703 4.752 12 . 17643 FMN C8 . C8 . . C . . N 0 . . . . yes no . . . . 34.893 . 13.117 . 14.090 . 3.534 -0.186 2.766 13 . 17643 FMN C8M . C8M . . C . . N 0 . . . . no no . . . . 35.812 . 14.115 . 14.778 . 4.865 -0.427 2.102 14 . 17643 FMN C9 . C9 . . C . . N 0 . . . . yes no . . . . 35.153 . 11.792 . 14.273 . 2.372 -0.515 2.104 15 . 17643 FMN C9A . C9A . . C . . N 0 . . . . yes no . . . . 34.382 . 10.809 . 13.674 . 1.140 -0.295 2.713 16 . 17643 FMN N10 . N10 . . N . . N 0 . . . . yes no . . . . 34.557 . 9.434 . 13.883 . -0.025 -0.617 2.052 17 . 17643 FMN C10 . C10 . . C . . N 0 . . . . yes no . . . . 33.786 . 8.495 . 13.263 . -1.213 -0.387 2.679 18 . 17643 FMN C1' . C1' . . C . . N 0 . . . . no no . . . . 35.554 . 8.925 . 14.861 . 0.011 -1.195 0.706 19 . 17643 FMN C2' . C2' . . C . . S 0 . . . . no no . . . . 34.789 . 8.587 . 16.157 . -0.020 -0.072 -0.331 20 . 17643 FMN O2' . O2' . . O . . N 0 . . . . no no . . . . 34.417 . 9.829 . 16.794 . -1.219 0.688 -0.173 21 . 17643 FMN C3' . C3' . . C . . S 0 . . . . no no . . . . 35.681 . 7.821 . 17.150 . 0.018 -0.675 -1.737 22 . 17643 FMN O3' . O3' . . O . . N 0 . . . . no no . . . . 36.849 . 8.662 . 17.488 . 1.217 -1.436 -1.895 23 . 17643 FMN C4' . C4' . . C . . R 0 . . . . no no . . . . 36.212 . 6.518 . 16.591 . -0.013 0.447 -2.775 24 . 17643 FMN O4' . O4' . . O . . N 0 . . . . no no . . . . 35.149 . 5.804 . 15.909 . -1.213 1.208 -2.617 25 . 17643 FMN C5' . C5' . . C . . N 0 . . . . no no . . . . 36.712 . 5.634 . 17.721 . 0.025 -0.156 -4.181 26 . 17643 FMN O5' . O5' . . O . . N 0 . . . . no no . . . . 35.604 . 5.252 . 18.579 . -0.005 0.892 -5.151 27 . 17643 FMN P . P . . P . . N 0 . . . . no no . . . . 35.837 . 4.628 . 20.038 . 0.038 0.189 -6.598 28 . 17643 FMN O1P . O1P . . O . . N 0 . . . . no no . . . . 36.585 . 5.692 . 20.802 . -1.134 -0.700 -6.750 29 . 17643 FMN O2P . O2P . . O . . N 0 . . . . no no . . . . 36.682 . 3.364 . 19.847 . 0.006 1.318 -7.745 30 . 17643 FMN O3P . O3P . . O . . N 0 . . . . no no . . . . 34.436 . 4.306 . 20.554 . 1.389 -0.676 -6.734 31 . 17643 FMN HN3 . HN3 . . H . . N 0 . . . . no no . . . . 31.316 . 6.054 . 11.771 . -4.498 0.226 4.361 32 . 17643 FMN H6 . H6 . . H . . N 0 . . . . no no . . . . 32.416 . 13.000 . 11.735 . 2.279 1.010 5.657 33 . 17643 FMN HM71 . HM71 . . H . . N 0 . . . . no no . . . . 34.055 . 15.763 . 13.727 . 5.117 -0.156 5.328 34 . 17643 FMN HM72 . HM72 . . H . . N 0 . . . . no no . . . . 33.554 . 15.316 . 12.049 . 5.534 0.971 4.016 35 . 17643 FMN HM73 . HM73 . . H . . N 0 . . . . no no . . . . 32.401 . 15.154 . 13.328 . 4.606 1.546 5.422 36 . 17643 FMN HM81 . HM81 . . H . . N 0 . . . . no no . . . . 36.647 . 13.804 . 15.447 . 5.153 0.457 1.533 37 . 17643 FMN HM82 . HM82 . . H . . N 0 . . . . no no . . . . 36.242 . 14.773 . 13.987 . 5.619 -0.630 2.863 38 . 17643 FMN HM83 . HM83 . . H . . N 0 . . . . no no . . . . 35.168 . 14.822 . 15.351 . 4.787 -1.281 1.430 39 . 17643 FMN H9 . H9 . . H . . N 0 . . . . no no . . . . 36.002 . 11.510 . 14.917 . 2.416 -0.939 1.111 40 . 17643 FMN H1'1 . H1'1 . . H . . N 0 . . . . no no . . . . 36.151 . 8.068 . 14.470 . 0.926 -1.775 0.585 41 . 17643 FMN H1'2 . H1'2 . . H . . N 0 . . . . no no . . . . 36.403 . 9.628 . 15.025 . -0.852 -1.845 0.566 42 . 17643 FMN H2' . H2' . . H . . N 0 . . . . no no . . . . 33.906 . 7.959 . 15.891 . 0.843 0.577 -0.191 43 . 17643 FMN HO2' . HO2' . . H . . N 0 . . . . no no . . . . 33.945 . 9.620 . 17.592 . -1.957 0.078 -0.305 44 . 17643 FMN H3' . H3' . . H . . N 0 . . . . no no . . . . 35.047 . 7.588 . 18.037 . -0.845 -1.325 -1.877 45 . 17643 FMN HO3' . HO3' . . H . . N 0 . . . . no no . . . . 37.399 . 8.189 . 18.101 . 1.955 -0.826 -1.764 46 . 17643 FMN H4' . H4' . . H . . N 0 . . . . no no . . . . 37.041 . 6.752 . 15.883 . 0.849 1.096 -2.635 47 . 17643 FMN HO4' . HO4' . . H . . N 0 . . . . no no . . . . 35.482 . 4.986 . 15.558 . -1.951 0.597 -2.749 48 . 17643 FMN H5'1 . H5'1 . . H . . N 0 . . . . no no . . . . 37.272 . 4.747 . 17.342 . 0.939 -0.736 -4.302 49 . 17643 FMN H5'2 . H5'2 . . H . . N 0 . . . . no no . . . . 37.538 . 6.115 . 18.294 . -0.838 -0.806 -4.321 50 . 17643 FMN HOP2 . HOP2 . . H . . N 0 . . . . no no . . . . 36.820 . 2.994 . 20.711 . 0.034 0.856 -8.594 51 . 17643 FMN HOP3 . HOP3 . . H . . N 0 . . . . no no . . . . 34.574 . 3.936 . 21.418 . 2.127 -0.060 -6.630 52 . 17643 FMN 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 . SING N1 C2 yes N 1 . 17643 FMN 2 . DOUB N1 C10 yes N 2 . 17643 FMN 3 . DOUB C2 O2 no N 3 . 17643 FMN 4 . SING C2 N3 yes N 4 . 17643 FMN 5 . SING N3 C4 yes N 5 . 17643 FMN 6 . SING N3 HN3 no N 6 . 17643 FMN 7 . DOUB C4 O4 no N 7 . 17643 FMN 8 . SING C4 C4A yes N 8 . 17643 FMN 9 . DOUB C4A N5 yes N 9 . 17643 FMN 10 . SING C4A C10 no N 10 . 17643 FMN 11 . SING N5 C5A yes N 11 . 17643 FMN 12 . DOUB C5A C6 yes N 12 . 17643 FMN 13 . SING C5A C9A yes N 13 . 17643 FMN 14 . SING C6 C7 yes N 14 . 17643 FMN 15 . SING C6 H6 no N 15 . 17643 FMN 16 . SING C7 C7M no N 16 . 17643 FMN 17 . DOUB C7 C8 yes N 17 . 17643 FMN 18 . SING C7M HM71 no N 18 . 17643 FMN 19 . SING C7M HM72 no N 19 . 17643 FMN 20 . SING C7M HM73 no N 20 . 17643 FMN 21 . SING C8 C8M no N 21 . 17643 FMN 22 . SING C8 C9 yes N 22 . 17643 FMN 23 . SING C8M HM81 no N 23 . 17643 FMN 24 . SING C8M HM82 no N 24 . 17643 FMN 25 . SING C8M HM83 no N 25 . 17643 FMN 26 . DOUB C9 C9A yes N 26 . 17643 FMN 27 . SING C9 H9 no N 27 . 17643 FMN 28 . SING C9A N10 yes N 28 . 17643 FMN 29 . SING N10 C10 yes N 29 . 17643 FMN 30 . SING N10 C1' no N 30 . 17643 FMN 31 . SING C1' C2' no N 31 . 17643 FMN 32 . SING C1' H1'1 no N 32 . 17643 FMN 33 . SING C1' H1'2 no N 33 . 17643 FMN 34 . SING C2' O2' no N 34 . 17643 FMN 35 . SING C2' C3' no N 35 . 17643 FMN 36 . SING C2' H2' no N 36 . 17643 FMN 37 . SING O2' HO2' no N 37 . 17643 FMN 38 . SING C3' O3' no N 38 . 17643 FMN 39 . SING C3' C4' no N 39 . 17643 FMN 40 . SING C3' H3' no N 40 . 17643 FMN 41 . SING O3' HO3' no N 41 . 17643 FMN 42 . SING C4' O4' no N 42 . 17643 FMN 43 . SING C4' C5' no N 43 . 17643 FMN 44 . SING C4' H4' no N 44 . 17643 FMN 45 . SING O4' HO4' no N 45 . 17643 FMN 46 . SING C5' O5' no N 46 . 17643 FMN 47 . SING C5' H5'1 no N 47 . 17643 FMN 48 . SING C5' H5'2 no N 48 . 17643 FMN 49 . SING O5' P no N 49 . 17643 FMN 50 . DOUB P O1P no N 50 . 17643 FMN 51 . SING P O2P no N 51 . 17643 FMN 52 . SING P O3P no N 52 . 17643 FMN 53 . SING O2P HOP2 no N 53 . 17643 FMN 54 . SING O3P HOP3 no N 54 . 17643 FMN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17643 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 YtvA '[U-13C; U-15N; U-2H]' . . 1 $YtvA . . 500 . . uM 0.1 . . . 17643 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17643 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17643 1 4 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 17643 1 5 H20 'natural abundance' . . . . . . 95 . . % . . . . 17643 1 6 D20 'natural abundance' . . . . . . 5 . . % . . . . 17643 1 7 FMN '[U-75% 13C; U-75% 15N; U-75% 2H]' . . . . . . 500 . . uM . . . . 17643 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17643 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 YtvA '[U-15N; U-2H]' . . 1 $YtvA . . 500 . . uM . . . . 17643 2 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17643 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17643 2 4 'sodium azide' 'natural abundance' . . . . . . 0.1 . . % . . . . 17643 2 5 H20 'natural abundance' . . . . . . 95 . . % . . . . 17643 2 6 D20 'natural abundance' . . . . . . 5 . . % . . . . 17643 2 7 FMN '[U-75% 15N; U-75% 2H]' . . . . . . 500 . . uM . . . . 17643 2 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 17643 _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' 70 . mM 17643 1 pH 6.5 . pH 17643 1 pressure 1 . atm 17643 1 temperature 300 . K 17643 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17643 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17643 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17643 1 processing 17643 1 stop_ save_ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 17643 _Software.ID 2 _Software.Name CCPN _Software.Version 2.1.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Vranken et al.' . . 17643 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17643 2 'data analysis' 17643 2 'peak picking' 17643 2 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 17643 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Spectrometer was equipped with a cryo-probehead' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17643 _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 . 600 'Spectrometer was equipped with a cryo-probehead' . . 17643 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 17643 _Experiment_list.ID 1 _Experiment_list.Details 'All experiments were TROSY-type' 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 TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17643 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17643 1 3 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17643 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17643 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17643 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17643 1 7 '3D HNCA(NH)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17643 1 8 '2D 1H-15N TROSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17643 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 17643 _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 . indirect 0.251449530 . . . . . . . . . 17643 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17643 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17643 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 17643 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 17643 1 2 '3D HNCACB' . . . 17643 1 3 '3D HN(CO)CACB' . . . 17643 1 4 '3D HNCO' . . . 17643 1 5 '3D HN(CA)CO' . . . 17643 1 6 '3D 1H-15N NOESY' . . . 17643 1 7 '3D HNCA(NH)' . . . 17643 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 3 3 SER H H 1 8.432 0.003 . 1 . . . . 3 Ser H . 17643 1 2 . 1 1 3 3 SER C C 13 174.718 0.006 . 1 . . . . 3 Ser C . 17643 1 3 . 1 1 3 3 SER CA C 13 57.142 0.046 . 1 . . . . 3 Ser CA . 17643 1 4 . 1 1 3 3 SER CB C 13 64.270 0.006 . 1 . . . . 3 Ser CB . 17643 1 5 . 1 1 3 3 SER N N 15 115.139 0.053 . 1 . . . . 3 Ser N . 17643 1 6 . 1 1 4 4 PHE H H 1 8.770 0.004 . 1 . . . . 4 Phe H . 17643 1 7 . 1 1 4 4 PHE C C 13 176.451 0.100 . 1 . . . . 4 Phe C . 17643 1 8 . 1 1 4 4 PHE CA C 13 57.501 0.100 . 1 . . . . 4 Phe CA . 17643 1 9 . 1 1 4 4 PHE CB C 13 39.305 0.069 . 1 . . . . 4 Phe CB . 17643 1 10 . 1 1 4 4 PHE N N 15 123.963 0.035 . 1 . . . . 4 Phe N . 17643 1 11 . 1 1 5 5 GLN H H 1 8.139 0.005 . 1 . . . . 5 Gln H . 17643 1 12 . 1 1 5 5 GLN C C 13 176.958 0.100 . 1 . . . . 5 Gln C . 17643 1 13 . 1 1 5 5 GLN CA C 13 57.014 0.041 . 1 . . . . 5 Gln CA . 17643 1 14 . 1 1 5 5 GLN CB C 13 27.930 0.008 . 1 . . . . 5 Gln CB . 17643 1 15 . 1 1 5 5 GLN N N 15 121.811 0.064 . 1 . . . . 5 Gln N . 17643 1 16 . 1 1 6 6 SER H H 1 7.605 0.009 . 1 . . . . 6 Ser H . 17643 1 17 . 1 1 6 6 SER C C 13 174.374 0.008 . 1 . . . . 6 Ser C . 17643 1 18 . 1 1 6 6 SER CA C 13 58.772 0.011 . 1 . . . . 6 Ser CA . 17643 1 19 . 1 1 6 6 SER CB C 13 62.863 0.012 . 1 . . . . 6 Ser CB . 17643 1 20 . 1 1 6 6 SER N N 15 115.002 0.039 . 1 . . . . 6 Ser N . 17643 1 21 . 1 1 7 7 PHE H H 1 8.001 0.006 . 1 . . . . 7 Phe H . 17643 1 22 . 1 1 7 7 PHE C C 13 176.290 0.100 . 1 . . . . 7 Phe C . 17643 1 23 . 1 1 7 7 PHE CA C 13 56.429 0.057 . 1 . . . . 7 Phe CA . 17643 1 24 . 1 1 7 7 PHE CB C 13 39.073 0.017 . 1 . . . . 7 Phe CB . 17643 1 25 . 1 1 7 7 PHE N N 15 123.521 0.065 . 1 . . . . 7 Phe N . 17643 1 26 . 1 1 8 8 GLY H H 1 8.256 0.002 . 1 . . . . 8 Gly H . 17643 1 27 . 1 1 8 8 GLY C C 13 173.913 0.027 . 1 . . . . 8 Gly C . 17643 1 28 . 1 1 8 8 GLY CA C 13 44.787 0.052 . 1 . . . . 8 Gly CA . 17643 1 29 . 1 1 8 8 GLY N N 15 110.658 0.060 . 1 . . . . 8 Gly N . 17643 1 30 . 1 1 9 9 ILE H H 1 7.912 0.003 . 1 . . . . 9 Ile H . 17643 1 31 . 1 1 9 9 ILE N N 15 120.271 0.055 . 1 . . . . 9 Ile N . 17643 1 32 . 1 1 10 10 PRO C C 13 178.651 0.100 . 1 . . . . 10 Pro C . 17643 1 33 . 1 1 10 10 PRO CA C 13 64.890 0.100 . 1 . . . . 10 Pro CA . 17643 1 34 . 1 1 10 10 PRO CB C 13 30.132 0.100 . 1 . . . . 10 Pro CB . 17643 1 35 . 1 1 11 11 GLY H H 1 8.109 0.009 . 1 . . . . 11 Gly H . 17643 1 36 . 1 1 11 11 GLY C C 13 175.247 0.004 . 1 . . . . 11 Gly C . 17643 1 37 . 1 1 11 11 GLY CA C 13 45.764 0.014 . 1 . . . . 11 Gly CA . 17643 1 38 . 1 1 11 11 GLY N N 15 108.357 0.066 . 1 . . . . 11 Gly N . 17643 1 39 . 1 1 12 12 GLN H H 1 7.895 0.007 . 1 . . . . 12 Gln H . 17643 1 40 . 1 1 12 12 GLN C C 13 177.461 0.007 . 1 . . . . 12 Gln C . 17643 1 41 . 1 1 12 12 GLN CA C 13 58.574 0.040 . 1 . . . . 12 Gln CA . 17643 1 42 . 1 1 12 12 GLN CB C 13 28.429 0.100 . 1 . . . . 12 Gln CB . 17643 1 43 . 1 1 12 12 GLN N N 15 120.726 0.021 . 1 . . . . 12 Gln N . 17643 1 44 . 1 1 13 13 LEU H H 1 8.348 0.006 . 1 . . . . 13 Leu H . 17643 1 45 . 1 1 13 13 LEU C C 13 177.641 0.001 . 1 . . . . 13 Leu C . 17643 1 46 . 1 1 13 13 LEU CA C 13 58.279 0.100 . 1 . . . . 13 Leu CA . 17643 1 47 . 1 1 13 13 LEU CB C 13 40.601 0.006 . 1 . . . . 13 Leu CB . 17643 1 48 . 1 1 13 13 LEU N N 15 119.082 0.014 . 1 . . . . 13 Leu N . 17643 1 49 . 1 1 14 14 GLU H H 1 7.960 0.005 . 1 . . . . 14 Glu H . 17643 1 50 . 1 1 14 14 GLU C C 13 179.095 0.007 . 1 . . . . 14 Glu C . 17643 1 51 . 1 1 14 14 GLU CA C 13 58.937 0.096 . 1 . . . . 14 Glu CA . 17643 1 52 . 1 1 14 14 GLU CB C 13 28.503 0.100 . 1 . . . . 14 Glu CB . 17643 1 53 . 1 1 14 14 GLU N N 15 117.153 0.045 . 1 . . . . 14 Glu N . 17643 1 54 . 1 1 15 15 VAL H H 1 7.558 0.012 . 1 . . . . 15 Val H . 17643 1 55 . 1 1 15 15 VAL C C 13 177.341 0.013 . 1 . . . . 15 Val C . 17643 1 56 . 1 1 15 15 VAL CA C 13 65.707 0.190 . 1 . . . . 15 Val CA . 17643 1 57 . 1 1 15 15 VAL CB C 13 30.833 0.100 . 1 . . . . 15 Val CB . 17643 1 58 . 1 1 15 15 VAL N N 15 118.699 0.059 . 1 . . . . 15 Val N . 17643 1 59 . 1 1 16 16 ILE H H 1 7.964 0.008 . 1 . . . . 16 Ile H . 17643 1 60 . 1 1 16 16 ILE C C 13 178.089 0.024 . 1 . . . . 16 Ile C . 17643 1 61 . 1 1 16 16 ILE CA C 13 63.334 0.101 . 1 . . . . 16 Ile CA . 17643 1 62 . 1 1 16 16 ILE CB C 13 35.522 0.100 . 1 . . . . 16 Ile CB . 17643 1 63 . 1 1 16 16 ILE N N 15 118.512 0.065 . 1 . . . . 16 Ile N . 17643 1 64 . 1 1 17 17 LYS H H 1 8.473 0.006 . 1 . . . . 17 Lys H . 17643 1 65 . 1 1 17 17 LYS C C 13 180.006 0.015 . 1 . . . . 17 Lys C . 17643 1 66 . 1 1 17 17 LYS CA C 13 60.524 0.052 . 1 . . . . 17 Lys CA . 17643 1 67 . 1 1 17 17 LYS CB C 13 31.619 0.022 . 1 . . . . 17 Lys CB . 17643 1 68 . 1 1 17 17 LYS N N 15 120.042 0.045 . 1 . . . . 17 Lys N . 17643 1 69 . 1 1 18 18 LYS H H 1 7.903 0.006 . 1 . . . . 18 Lys H . 17643 1 70 . 1 1 18 18 LYS C C 13 180.302 0.003 . 1 . . . . 18 Lys C . 17643 1 71 . 1 1 18 18 LYS CA C 13 59.280 0.100 . 1 . . . . 18 Lys CA . 17643 1 72 . 1 1 18 18 LYS CB C 13 30.965 0.100 . 1 . . . . 18 Lys CB . 17643 1 73 . 1 1 18 18 LYS N N 15 120.140 0.066 . 1 . . . . 18 Lys N . 17643 1 74 . 1 1 19 19 ALA H H 1 8.493 0.017 . 1 . . . . 19 Ala H . 17643 1 75 . 1 1 19 19 ALA C C 13 180.403 0.027 . 1 . . . . 19 Ala C . 17643 1 76 . 1 1 19 19 ALA CA C 13 56.095 0.016 . 1 . . . . 19 Ala CA . 17643 1 77 . 1 1 19 19 ALA CB C 13 16.929 0.013 . 1 . . . . 19 Ala CB . 17643 1 78 . 1 1 19 19 ALA N N 15 124.771 0.067 . 1 . . . . 19 Ala N . 17643 1 79 . 1 1 20 20 LEU H H 1 8.175 0.015 . 1 . . . . 20 Leu H . 17643 1 80 . 1 1 20 20 LEU C C 13 178.931 0.100 . 1 . . . . 20 Leu C . 17643 1 81 . 1 1 20 20 LEU CA C 13 57.333 0.100 . 1 . . . . 20 Leu CA . 17643 1 82 . 1 1 20 20 LEU CB C 13 41.256 0.122 . 1 . . . . 20 Leu CB . 17643 1 83 . 1 1 20 20 LEU N N 15 117.920 0.052 . 1 . . . . 20 Leu N . 17643 1 84 . 1 1 21 21 ASP H H 1 7.909 0.004 . 1 . . . . 21 Asp H . 17643 1 85 . 1 1 21 21 ASP C C 13 177.095 0.100 . 1 . . . . 21 Asp C . 17643 1 86 . 1 1 21 21 ASP CA C 13 56.163 0.100 . 1 . . . . 21 Asp CA . 17643 1 87 . 1 1 21 21 ASP CB C 13 40.018 0.100 . 1 . . . . 21 Asp CB . 17643 1 88 . 1 1 21 21 ASP N N 15 119.320 0.070 . 1 . . . . 21 Asp N . 17643 1 89 . 1 1 25 25 VAL H H 1 7.921 0.009 . 1 . . . . 25 Val H . 17643 1 90 . 1 1 25 25 VAL C C 13 176.075 0.037 . 1 . . . . 25 Val C . 17643 1 91 . 1 1 25 25 VAL CA C 13 60.328 0.011 . 1 . . . . 25 Val CA . 17643 1 92 . 1 1 25 25 VAL CB C 13 32.160 0.150 . 1 . . . . 25 Val CB . 17643 1 93 . 1 1 25 25 VAL N N 15 120.225 0.099 . 1 . . . . 25 Val N . 17643 1 94 . 1 1 26 26 GLY H H 1 9.489 0.009 . 1 . . . . 26 Gly H . 17643 1 95 . 1 1 26 26 GLY C C 13 172.922 0.015 . 1 . . . . 26 Gly C . 17643 1 96 . 1 1 26 26 GLY CA C 13 45.189 0.044 . 1 . . . . 26 Gly CA . 17643 1 97 . 1 1 26 26 GLY N N 15 112.241 0.079 . 1 . . . . 26 Gly N . 17643 1 98 . 1 1 27 27 VAL H H 1 8.148 0.010 . 1 . . . . 27 Val H . 17643 1 99 . 1 1 27 27 VAL C C 13 175.091 0.003 . 1 . . . . 27 Val C . 17643 1 100 . 1 1 27 27 VAL CA C 13 61.287 0.100 . 1 . . . . 27 Val CA . 17643 1 101 . 1 1 27 27 VAL CB C 13 35.310 0.100 . 1 . . . . 27 Val CB . 17643 1 102 . 1 1 27 27 VAL N N 15 122.422 0.066 . 1 . . . . 27 Val N . 17643 1 103 . 1 1 28 28 VAL H H 1 9.188 0.006 . 1 . . . . 28 Val H . 17643 1 104 . 1 1 28 28 VAL HG21 H 1 0.612 0.003 . 1 . . . . 28 Val HG21 . 17643 1 105 . 1 1 28 28 VAL HG22 H 1 0.612 0.003 . 1 . . . . 28 Val HG22 . 17643 1 106 . 1 1 28 28 VAL HG23 H 1 0.612 0.003 . 1 . . . . 28 Val HG23 . 17643 1 107 . 1 1 28 28 VAL C C 13 175.045 0.100 . 1 . . . . 28 Val C . 17643 1 108 . 1 1 28 28 VAL CA C 13 57.450 0.102 . 1 . . . . 28 Val CA . 17643 1 109 . 1 1 28 28 VAL CB C 13 35.188 0.068 . 1 . . . . 28 Val CB . 17643 1 110 . 1 1 28 28 VAL CG2 C 13 22.072 0.072 . 1 . . . . 28 Val CG2 . 17643 1 111 . 1 1 28 28 VAL N N 15 118.136 0.063 . 1 . . . . 28 Val N . 17643 1 112 . 1 1 29 29 ILE H H 1 8.489 0.006 . 1 . . . . 29 Ile H . 17643 1 113 . 1 1 29 29 ILE HD11 H 1 0.462 0.004 . 1 . . . . 29 Ile HD11 . 17643 1 114 . 1 1 29 29 ILE HD12 H 1 0.462 0.004 . 1 . . . . 29 Ile HD12 . 17643 1 115 . 1 1 29 29 ILE HD13 H 1 0.462 0.004 . 1 . . . . 29 Ile HD13 . 17643 1 116 . 1 1 29 29 ILE C C 13 176.310 0.001 . 1 . . . . 29 Ile C . 17643 1 117 . 1 1 29 29 ILE CA C 13 58.799 0.007 . 1 . . . . 29 Ile CA . 17643 1 118 . 1 1 29 29 ILE CB C 13 39.918 0.242 . 1 . . . . 29 Ile CB . 17643 1 119 . 1 1 29 29 ILE CD1 C 13 13.235 0.054 . 1 . . . . 29 Ile CD1 . 17643 1 120 . 1 1 29 29 ILE N N 15 122.259 0.052 . 1 . . . . 29 Ile N . 17643 1 121 . 1 1 30 30 THR H H 1 9.675 0.006 . 1 . . . . 30 Thr H . 17643 1 122 . 1 1 30 30 THR HG21 H 1 4.885 0.005 . 1 . . . . 30 Thr HG1 . 17643 1 123 . 1 1 30 30 THR HG22 H 1 4.885 0.005 . 1 . . . . 30 Thr HG1 . 17643 1 124 . 1 1 30 30 THR HG23 H 1 4.885 0.005 . 1 . . . . 30 Thr HG1 . 17643 1 125 . 1 1 30 30 THR C C 13 173.441 0.001 . 1 . . . . 30 Thr C . 17643 1 126 . 1 1 30 30 THR CA C 13 59.759 0.091 . 1 . . . . 30 Thr CA . 17643 1 127 . 1 1 30 30 THR CB C 13 69.876 0.006 . 1 . . . . 30 Thr CB . 17643 1 128 . 1 1 30 30 THR N N 15 119.997 0.040 . 1 . . . . 30 Thr N . 17643 1 129 . 1 1 31 31 ASP H H 1 7.391 0.006 . 1 . . . . 31 Asp H . 17643 1 130 . 1 1 31 31 ASP C C 13 175.220 0.100 . 1 . . . . 31 Asp C . 17643 1 131 . 1 1 31 31 ASP CA C 13 48.862 0.100 . 1 . . . . 31 Asp CA . 17643 1 132 . 1 1 31 31 ASP CB C 13 43.297 0.100 . 1 . . . . 31 Asp CB . 17643 1 133 . 1 1 31 31 ASP N N 15 118.018 0.026 . 1 . . . . 31 Asp N . 17643 1 134 . 1 1 32 32 PRO C C 13 177.459 0.100 . 1 . . . . 32 Pro C . 17643 1 135 . 1 1 32 32 PRO CA C 13 63.324 0.100 . 1 . . . . 32 Pro CA . 17643 1 136 . 1 1 32 32 PRO CB C 13 31.034 0.100 . 1 . . . . 32 Pro CB . 17643 1 137 . 1 1 33 33 ALA H H 1 8.603 0.004 . 1 . . . . 33 Ala H . 17643 1 138 . 1 1 33 33 ALA C C 13 178.670 0.100 . 1 . . . . 33 Ala C . 17643 1 139 . 1 1 33 33 ALA CA C 13 52.666 0.067 . 1 . . . . 33 Ala CA . 17643 1 140 . 1 1 33 33 ALA CB C 13 17.999 0.020 . 1 . . . . 33 Ala CB . 17643 1 141 . 1 1 33 33 ALA N N 15 123.650 0.033 . 1 . . . . 33 Ala N . 17643 1 142 . 1 1 34 34 LEU H H 1 7.591 0.004 . 1 . . . . 34 Leu H . 17643 1 143 . 1 1 34 34 LEU C C 13 176.861 0.006 . 1 . . . . 34 Leu C . 17643 1 144 . 1 1 34 34 LEU CA C 13 52.804 0.047 . 1 . . . . 34 Leu CA . 17643 1 145 . 1 1 34 34 LEU CB C 13 41.976 0.017 . 1 . . . . 34 Leu CB . 17643 1 146 . 1 1 34 34 LEU N N 15 120.596 0.030 . 1 . . . . 34 Leu N . 17643 1 147 . 1 1 35 35 GLU H H 1 8.274 0.002 . 1 . . . . 35 Glu H . 17643 1 148 . 1 1 35 35 GLU C C 13 177.365 0.002 . 1 . . . . 35 Glu C . 17643 1 149 . 1 1 35 35 GLU CA C 13 57.689 0.028 . 1 . . . . 35 Glu CA . 17643 1 150 . 1 1 35 35 GLU CB C 13 28.656 0.020 . 1 . . . . 35 Glu CB . 17643 1 151 . 1 1 35 35 GLU N N 15 121.850 0.029 . 1 . . . . 35 Glu N . 17643 1 152 . 1 1 36 36 ASP H H 1 9.035 0.002 . 1 . . . . 36 Asp H . 17643 1 153 . 1 1 36 36 ASP C C 13 175.455 0.002 . 1 . . . . 36 Asp C . 17643 1 154 . 1 1 36 36 ASP CA C 13 54.522 0.090 . 1 . . . . 36 Asp CA . 17643 1 155 . 1 1 36 36 ASP CB C 13 41.438 0.012 . 1 . . . . 36 Asp CB . 17643 1 156 . 1 1 36 36 ASP N N 15 123.537 0.033 . 1 . . . . 36 Asp N . 17643 1 157 . 1 1 37 37 ASN H H 1 8.107 0.005 . 1 . . . . 37 Asn H . 17643 1 158 . 1 1 37 37 ASN C C 13 170.559 0.100 . 1 . . . . 37 Asn C . 17643 1 159 . 1 1 37 37 ASN CA C 13 52.209 0.100 . 1 . . . . 37 Asn CA . 17643 1 160 . 1 1 37 37 ASN CB C 13 36.825 0.100 . 1 . . . . 37 Asn CB . 17643 1 161 . 1 1 37 37 ASN N N 15 115.733 0.067 . 1 . . . . 37 Asn N . 17643 1 162 . 1 1 38 38 PRO C C 13 176.629 0.100 . 1 . . . . 38 Pro C . 17643 1 163 . 1 1 38 38 PRO CA C 13 61.776 0.100 . 1 . . . . 38 Pro CA . 17643 1 164 . 1 1 38 38 PRO CB C 13 32.664 0.100 . 1 . . . . 38 Pro CB . 17643 1 165 . 1 1 39 39 ILE H H 1 7.727 0.007 . 1 . . . . 39 Ile H . 17643 1 166 . 1 1 39 39 ILE C C 13 177.613 0.006 . 1 . . . . 39 Ile C . 17643 1 167 . 1 1 39 39 ILE CA C 13 62.680 0.074 . 1 . . . . 39 Ile CA . 17643 1 168 . 1 1 39 39 ILE CB C 13 38.559 0.036 . 1 . . . . 39 Ile CB . 17643 1 169 . 1 1 39 39 ILE N N 15 116.862 0.075 . 1 . . . . 39 Ile N . 17643 1 170 . 1 1 40 40 VAL H H 1 9.421 0.011 . 1 . . . . 40 Val H . 17643 1 171 . 1 1 40 40 VAL HG21 H 1 0.633 0.004 . 1 . . . . 40 Val HG21 . 17643 1 172 . 1 1 40 40 VAL HG22 H 1 0.633 0.004 . 1 . . . . 40 Val HG22 . 17643 1 173 . 1 1 40 40 VAL HG23 H 1 0.633 0.004 . 1 . . . . 40 Val HG23 . 17643 1 174 . 1 1 40 40 VAL C C 13 174.800 0.018 . 1 . . . . 40 Val C . 17643 1 175 . 1 1 40 40 VAL CA C 13 60.017 0.134 . 1 . . . . 40 Val CA . 17643 1 176 . 1 1 40 40 VAL CB C 13 32.694 0.128 . 1 . . . . 40 Val CB . 17643 1 177 . 1 1 40 40 VAL CG2 C 13 17.907 0.042 . 1 . . . . 40 Val CG2 . 17643 1 178 . 1 1 40 40 VAL N N 15 120.602 0.036 . 1 . . . . 40 Val N . 17643 1 179 . 1 1 41 41 TYR H H 1 7.609 0.004 . 1 . . . . 41 Tyr H . 17643 1 180 . 1 1 41 41 TYR C C 13 172.293 0.010 . 1 . . . . 41 Tyr C . 17643 1 181 . 1 1 41 41 TYR CA C 13 58.625 0.043 . 1 . . . . 41 Tyr CA . 17643 1 182 . 1 1 41 41 TYR CB C 13 41.452 0.007 . 1 . . . . 41 Tyr CB . 17643 1 183 . 1 1 41 41 TYR N N 15 123.130 0.037 . 1 . . . . 41 Tyr N . 17643 1 184 . 1 1 42 42 VAL H H 1 7.085 0.010 . 1 . . . . 42 Val H . 17643 1 185 . 1 1 42 42 VAL HG21 H 1 0.805 0.005 . 1 . . . . 42 Val HG21 . 17643 1 186 . 1 1 42 42 VAL HG22 H 1 0.805 0.005 . 1 . . . . 42 Val HG22 . 17643 1 187 . 1 1 42 42 VAL HG23 H 1 0.805 0.005 . 1 . . . . 42 Val HG23 . 17643 1 188 . 1 1 42 42 VAL C C 13 172.177 0.036 . 1 . . . . 42 Val C . 17643 1 189 . 1 1 42 42 VAL CA C 13 58.323 0.248 . 1 . . . . 42 Val CA . 17643 1 190 . 1 1 42 42 VAL CB C 13 33.859 0.129 . 1 . . . . 42 Val CB . 17643 1 191 . 1 1 42 42 VAL CG2 C 13 19.607 0.060 . 1 . . . . 42 Val CG2 . 17643 1 192 . 1 1 42 42 VAL N N 15 124.193 0.115 . 1 . . . . 42 Val N . 17643 1 193 . 1 1 43 43 ASN H H 1 8.329 0.010 . 1 . . . . 43 Asn H . 17643 1 194 . 1 1 43 43 ASN C C 13 175.573 0.100 . 1 . . . . 43 Asn C . 17643 1 195 . 1 1 43 43 ASN CA C 13 51.039 0.022 . 1 . . . . 43 Asn CA . 17643 1 196 . 1 1 43 43 ASN CB C 13 41.246 0.015 . 1 . . . . 43 Asn CB . 17643 1 197 . 1 1 43 43 ASN N N 15 123.804 0.078 . 1 . . . . 43 Asn N . 17643 1 198 . 1 1 44 44 GLN H H 1 8.852 0.012 . 1 . . . . 44 Gln H . 17643 1 199 . 1 1 44 44 GLN C C 13 178.575 0.100 . 1 . . . . 44 Gln C . 17643 1 200 . 1 1 44 44 GLN CA C 13 57.368 0.100 . 1 . . . . 44 Gln CA . 17643 1 201 . 1 1 44 44 GLN CB C 13 27.162 0.100 . 1 . . . . 44 Gln CB . 17643 1 202 . 1 1 44 44 GLN N N 15 118.343 0.054 . 1 . . . . 44 Gln N . 17643 1 203 . 1 1 45 45 GLY C C 13 176.192 0.100 . 1 . . . . 45 Gly C . 17643 1 204 . 1 1 45 45 GLY CA C 13 46.636 0.100 . 1 . . . . 45 Gly CA . 17643 1 205 . 1 1 46 46 PHE H H 1 7.965 0.013 . 1 . . . . 46 Phe H . 17643 1 206 . 1 1 46 46 PHE C C 13 178.365 0.006 . 1 . . . . 46 Phe C . 17643 1 207 . 1 1 46 46 PHE CA C 13 61.867 0.046 . 1 . . . . 46 Phe CA . 17643 1 208 . 1 1 46 46 PHE CB C 13 39.893 0.100 . 1 . . . . 46 Phe CB . 17643 1 209 . 1 1 46 46 PHE N N 15 122.898 0.038 . 1 . . . . 46 Phe N . 17643 1 210 . 1 1 47 47 VAL H H 1 7.245 0.009 . 1 . . . . 47 Val H . 17643 1 211 . 1 1 47 47 VAL C C 13 179.467 0.023 . 1 . . . . 47 Val C . 17643 1 212 . 1 1 47 47 VAL CA C 13 65.205 0.083 . 1 . . . . 47 Val CA . 17643 1 213 . 1 1 47 47 VAL CB C 13 31.978 0.051 . 1 . . . . 47 Val CB . 17643 1 214 . 1 1 47 47 VAL N N 15 124.378 0.059 . 1 . . . . 47 Val N . 17643 1 215 . 1 1 48 48 GLN H H 1 8.371 0.011 . 1 . . . . 48 Gln H . 17643 1 216 . 1 1 48 48 GLN C C 13 178.093 0.015 . 1 . . . . 48 Gln C . 17643 1 217 . 1 1 48 48 GLN CA C 13 57.894 0.100 . 1 . . . . 48 Gln CA . 17643 1 218 . 1 1 48 48 GLN CB C 13 27.667 0.100 . 1 . . . . 48 Gln CB . 17643 1 219 . 1 1 48 48 GLN N N 15 119.075 0.017 . 1 . . . . 48 Gln N . 17643 1 220 . 1 1 49 49 MET H H 1 7.896 0.007 . 1 . . . . 49 Met H . 17643 1 221 . 1 1 49 49 MET C C 13 176.682 0.010 . 1 . . . . 49 Met C . 17643 1 222 . 1 1 49 49 MET CA C 13 57.864 0.100 . 1 . . . . 49 Met CA . 17643 1 223 . 1 1 49 49 MET CB C 13 33.662 0.005 . 1 . . . . 49 Met CB . 17643 1 224 . 1 1 49 49 MET N N 15 117.967 0.037 . 1 . . . . 49 Met N . 17643 1 225 . 1 1 50 50 THR H H 1 7.646 0.007 . 1 . . . . 50 Thr H . 17643 1 226 . 1 1 50 50 THR C C 13 175.133 0.009 . 1 . . . . 50 Thr C . 17643 1 227 . 1 1 50 50 THR CA C 13 62.751 0.022 . 1 . . . . 50 Thr CA . 17643 1 228 . 1 1 50 50 THR CB C 13 70.393 0.013 . 1 . . . . 50 Thr CB . 17643 1 229 . 1 1 50 50 THR N N 15 103.280 0.044 . 1 . . . . 50 Thr N . 17643 1 230 . 1 1 51 51 GLY H H 1 8.096 0.009 . 1 . . . . 51 Gly H . 17643 1 231 . 1 1 51 51 GLY C C 13 173.781 0.010 . 1 . . . . 51 Gly C . 17643 1 232 . 1 1 51 51 GLY CA C 13 45.165 0.033 . 1 . . . . 51 Gly CA . 17643 1 233 . 1 1 51 51 GLY N N 15 110.833 0.050 . 1 . . . . 51 Gly N . 17643 1 234 . 1 1 52 52 TYR H H 1 7.433 0.004 . 1 . . . . 52 Tyr H . 17643 1 235 . 1 1 52 52 TYR C C 13 174.170 0.002 . 1 . . . . 52 Tyr C . 17643 1 236 . 1 1 52 52 TYR CA C 13 58.348 0.094 . 1 . . . . 52 Tyr CA . 17643 1 237 . 1 1 52 52 TYR CB C 13 39.277 0.033 . 1 . . . . 52 Tyr CB . 17643 1 238 . 1 1 52 52 TYR N N 15 119.857 0.057 . 1 . . . . 52 Tyr N . 17643 1 239 . 1 1 53 53 GLU H H 1 8.781 0.004 . 1 . . . . 53 Glu H . 17643 1 240 . 1 1 53 53 GLU C C 13 179.458 0.004 . 1 . . . . 53 Glu C . 17643 1 241 . 1 1 53 53 GLU CA C 13 54.792 0.042 . 1 . . . . 53 Glu CA . 17643 1 242 . 1 1 53 53 GLU CB C 13 29.756 0.026 . 1 . . . . 53 Glu CB . 17643 1 243 . 1 1 53 53 GLU N N 15 118.069 0.023 . 1 . . . . 53 Glu N . 17643 1 244 . 1 1 54 54 THR H H 1 8.733 0.009 . 1 . . . . 54 Thr H . 17643 1 245 . 1 1 54 54 THR C C 13 177.086 0.100 . 1 . . . . 54 Thr C . 17643 1 246 . 1 1 54 54 THR CA C 13 66.993 0.100 . 1 . . . . 54 Thr CA . 17643 1 247 . 1 1 54 54 THR CB C 13 67.878 0.009 . 1 . . . . 54 Thr CB . 17643 1 248 . 1 1 54 54 THR N N 15 115.949 0.072 . 1 . . . . 54 Thr N . 17643 1 249 . 1 1 55 55 GLU H H 1 8.879 0.006 . 1 . . . . 55 Glu H . 17643 1 250 . 1 1 55 55 GLU C C 13 178.034 0.009 . 1 . . . . 55 Glu C . 17643 1 251 . 1 1 55 55 GLU CA C 13 58.755 0.007 . 1 . . . . 55 Glu CA . 17643 1 252 . 1 1 55 55 GLU CB C 13 28.124 0.022 . 1 . . . . 55 Glu CB . 17643 1 253 . 1 1 55 55 GLU N N 15 118.260 0.030 . 1 . . . . 55 Glu N . 17643 1 254 . 1 1 56 56 GLU H H 1 7.632 0.004 . 1 . . . . 56 Glu H . 17643 1 255 . 1 1 56 56 GLU C C 13 176.098 0.009 . 1 . . . . 56 Glu C . 17643 1 256 . 1 1 56 56 GLU CA C 13 56.452 0.096 . 1 . . . . 56 Glu CA . 17643 1 257 . 1 1 56 56 GLU CB C 13 30.048 0.022 . 1 . . . . 56 Glu CB . 17643 1 258 . 1 1 56 56 GLU N N 15 116.711 0.037 . 1 . . . . 56 Glu N . 17643 1 259 . 1 1 57 57 ILE H H 1 7.124 0.007 . 1 . . . . 57 Ile H . 17643 1 260 . 1 1 57 57 ILE HD11 H 1 0.758 0.004 . 1 . . . . 57 Ile HD11 . 17643 1 261 . 1 1 57 57 ILE HD12 H 1 0.758 0.004 . 1 . . . . 57 Ile HD12 . 17643 1 262 . 1 1 57 57 ILE HD13 H 1 0.758 0.004 . 1 . . . . 57 Ile HD13 . 17643 1 263 . 1 1 57 57 ILE C C 13 175.086 0.004 . 1 . . . . 57 Ile C . 17643 1 264 . 1 1 57 57 ILE CA C 13 61.123 0.216 . 1 . . . . 57 Ile CA . 17643 1 265 . 1 1 57 57 ILE CB C 13 39.211 0.174 . 1 . . . . 57 Ile CB . 17643 1 266 . 1 1 57 57 ILE CD1 C 13 15.665 0.053 . 1 . . . . 57 Ile CD1 . 17643 1 267 . 1 1 57 57 ILE N N 15 114.155 0.033 . 1 . . . . 57 Ile N . 17643 1 268 . 1 1 58 58 LEU H H 1 7.265 0.008 . 1 . . . . 58 Leu H . 17643 1 269 . 1 1 58 58 LEU HD21 H 1 0.600 0.002 . 1 . . . . 58 Leu HD21 . 17643 1 270 . 1 1 58 58 LEU HD22 H 1 0.600 0.002 . 1 . . . . 58 Leu HD22 . 17643 1 271 . 1 1 58 58 LEU HD23 H 1 0.600 0.002 . 1 . . . . 58 Leu HD23 . 17643 1 272 . 1 1 58 58 LEU C C 13 178.611 0.003 . 1 . . . . 58 Leu C . 17643 1 273 . 1 1 58 58 LEU CA C 13 56.136 0.035 . 1 . . . . 58 Leu CA . 17643 1 274 . 1 1 58 58 LEU CB C 13 41.005 0.146 . 1 . . . . 58 Leu CB . 17643 1 275 . 1 1 58 58 LEU CD2 C 13 22.833 0.059 . 1 . . . . 58 Leu CD2 . 17643 1 276 . 1 1 58 58 LEU N N 15 118.673 0.064 . 1 . . . . 58 Leu N . 17643 1 277 . 1 1 59 59 GLY H H 1 9.117 0.007 . 1 . . . . 59 Gly H . 17643 1 278 . 1 1 59 59 GLY C C 13 173.677 0.009 . 1 . . . . 59 Gly C . 17643 1 279 . 1 1 59 59 GLY CA C 13 44.822 0.031 . 1 . . . . 59 Gly CA . 17643 1 280 . 1 1 59 59 GLY N N 15 109.769 0.062 . 1 . . . . 59 Gly N . 17643 1 281 . 1 1 60 60 LYS H H 1 7.767 0.006 . 1 . . . . 60 Lys H . 17643 1 282 . 1 1 60 60 LYS C C 13 175.980 0.010 . 1 . . . . 60 Lys C . 17643 1 283 . 1 1 60 60 LYS CA C 13 54.104 0.034 . 1 . . . . 60 Lys CA . 17643 1 284 . 1 1 60 60 LYS CB C 13 33.642 0.006 . 1 . . . . 60 Lys CB . 17643 1 285 . 1 1 60 60 LYS N N 15 119.781 0.033 . 1 . . . . 60 Lys N . 17643 1 286 . 1 1 61 61 ASN H H 1 8.645 0.007 . 1 . . . . 61 Asn H . 17643 1 287 . 1 1 61 61 ASN C C 13 176.390 0.009 . 1 . . . . 61 Asn C . 17643 1 288 . 1 1 61 61 ASN CA C 13 53.758 0.088 . 1 . . . . 61 Asn CA . 17643 1 289 . 1 1 61 61 ASN CB C 13 40.271 0.035 . 1 . . . . 61 Asn CB . 17643 1 290 . 1 1 61 61 ASN N N 15 120.996 0.049 . 1 . . . . 61 Asn N . 17643 1 291 . 1 1 62 62 CYS H H 1 8.039 0.007 . 1 . . . . 62 Cys H . 17643 1 292 . 1 1 62 62 CYS C C 13 174.052 0.004 . 1 . . . . 62 Cys C . 17643 1 293 . 1 1 62 62 CYS CA C 13 60.762 0.004 . 1 . . . . 62 Cys CA . 17643 1 294 . 1 1 62 62 CYS CB C 13 25.442 0.041 . 1 . . . . 62 Cys CB . 17643 1 295 . 1 1 62 62 CYS N N 15 122.715 0.047 . 1 . . . . 62 Cys N . 17643 1 296 . 1 1 63 63 ARG H H 1 8.704 0.008 . 1 . . . . 63 Arg H . 17643 1 297 . 1 1 63 63 ARG C C 13 177.045 0.014 . 1 . . . . 63 Arg C . 17643 1 298 . 1 1 63 63 ARG CA C 13 58.068 0.054 . 1 . . . . 63 Arg CA . 17643 1 299 . 1 1 63 63 ARG CB C 13 28.912 0.057 . 1 . . . . 63 Arg CB . 17643 1 300 . 1 1 63 63 ARG N N 15 118.595 0.046 . 1 . . . . 63 Arg N . 17643 1 301 . 1 1 64 64 PHE H H 1 6.890 0.006 . 1 . . . . 64 Phe H . 17643 1 302 . 1 1 64 64 PHE C C 13 175.831 0.006 . 1 . . . . 64 Phe C . 17643 1 303 . 1 1 64 64 PHE CA C 13 58.452 0.095 . 1 . . . . 64 Phe CA . 17643 1 304 . 1 1 64 64 PHE CB C 13 36.653 0.004 . 1 . . . . 64 Phe CB . 17643 1 305 . 1 1 64 64 PHE N N 15 119.344 0.041 . 1 . . . . 64 Phe N . 17643 1 306 . 1 1 65 65 LEU H H 1 6.667 0.004 . 1 . . . . 65 Leu H . 17643 1 307 . 1 1 65 65 LEU C C 13 176.851 0.006 . 1 . . . . 65 Leu C . 17643 1 308 . 1 1 65 65 LEU CA C 13 55.470 0.085 . 1 . . . . 65 Leu CA . 17643 1 309 . 1 1 65 65 LEU CB C 13 42.462 0.001 . 1 . . . . 65 Leu CB . 17643 1 310 . 1 1 65 65 LEU N N 15 120.994 0.042 . 1 . . . . 65 Leu N . 17643 1 311 . 1 1 66 66 GLN H H 1 7.737 0.006 . 1 . . . . 66 Gln H . 17643 1 312 . 1 1 66 66 GLN C C 13 175.770 0.004 . 1 . . . . 66 Gln C . 17643 1 313 . 1 1 66 66 GLN CA C 13 55.458 0.033 . 1 . . . . 66 Gln CA . 17643 1 314 . 1 1 66 66 GLN CB C 13 27.187 0.038 . 1 . . . . 66 Gln CB . 17643 1 315 . 1 1 66 66 GLN N N 15 118.242 0.035 . 1 . . . . 66 Gln N . 17643 1 316 . 1 1 67 67 GLY H H 1 8.592 0.008 . 1 . . . . 67 Gly H . 17643 1 317 . 1 1 67 67 GLY C C 13 175.778 0.100 . 1 . . . . 67 Gly C . 17643 1 318 . 1 1 67 67 GLY CA C 13 45.795 0.006 . 1 . . . . 67 Gly CA . 17643 1 319 . 1 1 67 67 GLY N N 15 107.109 0.042 . 1 . . . . 67 Gly N . 17643 1 320 . 1 1 68 68 LYS H H 1 8.165 0.005 . 1 . . . . 68 Lys H . 17643 1 321 . 1 1 68 68 LYS C C 13 177.855 0.010 . 1 . . . . 68 Lys C . 17643 1 322 . 1 1 68 68 LYS CA C 13 59.318 0.011 . 1 . . . . 68 Lys CA . 17643 1 323 . 1 1 68 68 LYS CB C 13 31.752 0.040 . 1 . . . . 68 Lys CB . 17643 1 324 . 1 1 68 68 LYS N N 15 122.860 0.074 . 1 . . . . 68 Lys N . 17643 1 325 . 1 1 69 69 HIS H H 1 8.204 0.005 . 1 . . . . 69 His H . 17643 1 326 . 1 1 69 69 HIS C C 13 174.927 0.008 . 1 . . . . 69 His C . 17643 1 327 . 1 1 69 69 HIS CA C 13 55.030 0.160 . 1 . . . . 69 His CA . 17643 1 328 . 1 1 69 69 HIS CB C 13 28.448 0.059 . 1 . . . . 69 His CB . 17643 1 329 . 1 1 69 69 HIS N N 15 113.529 0.078 . 1 . . . . 69 His N . 17643 1 330 . 1 1 70 70 THR H H 1 7.751 0.005 . 1 . . . . 70 Thr H . 17643 1 331 . 1 1 70 70 THR HG21 H 1 4.932 0.007 . 1 . . . . 70 Thr HG1 . 17643 1 332 . 1 1 70 70 THR HG22 H 1 4.932 0.007 . 1 . . . . 70 Thr HG1 . 17643 1 333 . 1 1 70 70 THR HG23 H 1 4.932 0.007 . 1 . . . . 70 Thr HG1 . 17643 1 334 . 1 1 70 70 THR C C 13 174.825 0.023 . 1 . . . . 70 Thr C . 17643 1 335 . 1 1 70 70 THR CA C 13 64.383 0.001 . 1 . . . . 70 Thr CA . 17643 1 336 . 1 1 70 70 THR CB C 13 68.598 0.030 . 1 . . . . 70 Thr CB . 17643 1 337 . 1 1 70 70 THR N N 15 118.366 0.072 . 1 . . . . 70 Thr N . 17643 1 338 . 1 1 71 71 ASP H H 1 8.862 0.005 . 1 . . . . 71 Asp H . 17643 1 339 . 1 1 71 71 ASP C C 13 175.313 0.100 . 1 . . . . 71 Asp C . 17643 1 340 . 1 1 71 71 ASP CA C 13 52.196 0.100 . 1 . . . . 71 Asp CA . 17643 1 341 . 1 1 71 71 ASP CB C 13 41.596 0.100 . 1 . . . . 71 Asp CB . 17643 1 342 . 1 1 71 71 ASP N N 15 133.436 0.051 . 1 . . . . 71 Asp N . 17643 1 343 . 1 1 72 72 PRO C C 13 178.988 0.100 . 1 . . . . 72 Pro C . 17643 1 344 . 1 1 72 72 PRO CA C 13 64.262 0.100 . 1 . . . . 72 Pro CA . 17643 1 345 . 1 1 72 72 PRO CB C 13 31.356 0.100 . 1 . . . . 72 Pro CB . 17643 1 346 . 1 1 73 73 ALA H H 1 8.455 0.008 . 1 . . . . 73 Ala H . 17643 1 347 . 1 1 73 73 ALA C C 13 181.492 0.008 . 1 . . . . 73 Ala C . 17643 1 348 . 1 1 73 73 ALA CA C 13 54.468 0.057 . 1 . . . . 73 Ala CA . 17643 1 349 . 1 1 73 73 ALA CB C 13 17.522 0.012 . 1 . . . . 73 Ala CB . 17643 1 350 . 1 1 73 73 ALA N N 15 121.653 0.028 . 1 . . . . 73 Ala N . 17643 1 351 . 1 1 74 74 GLU H H 1 7.418 0.010 . 1 . . . . 74 Glu H . 17643 1 352 . 1 1 74 74 GLU C C 13 179.621 0.005 . 1 . . . . 74 Glu C . 17643 1 353 . 1 1 74 74 GLU CA C 13 57.020 0.022 . 1 . . . . 74 Glu CA . 17643 1 354 . 1 1 74 74 GLU CB C 13 28.411 0.100 . 1 . . . . 74 Glu CB . 17643 1 355 . 1 1 74 74 GLU N N 15 116.928 0.043 . 1 . . . . 74 Glu N . 17643 1 356 . 1 1 75 75 VAL H H 1 7.317 0.005 . 1 . . . . 75 Val H . 17643 1 357 . 1 1 75 75 VAL C C 13 178.662 0.006 . 1 . . . . 75 Val C . 17643 1 358 . 1 1 75 75 VAL CA C 13 67.021 0.089 . 1 . . . . 75 Val CA . 17643 1 359 . 1 1 75 75 VAL CB C 13 30.768 0.100 . 1 . . . . 75 Val CB . 17643 1 360 . 1 1 75 75 VAL N N 15 120.575 0.040 . 1 . . . . 75 Val N . 17643 1 361 . 1 1 76 76 ASP H H 1 8.225 0.004 . 1 . . . . 76 Asp H . 17643 1 362 . 1 1 76 76 ASP C C 13 178.600 0.100 . 1 . . . . 76 Asp C . 17643 1 363 . 1 1 76 76 ASP CA C 13 57.232 0.030 . 1 . . . . 76 Asp CA . 17643 1 364 . 1 1 76 76 ASP CB C 13 39.633 0.016 . 1 . . . . 76 Asp CB . 17643 1 365 . 1 1 76 76 ASP N N 15 120.810 0.038 . 1 . . . . 76 Asp N . 17643 1 366 . 1 1 77 77 ASN H H 1 7.608 0.005 . 1 . . . . 77 Asn H . 17643 1 367 . 1 1 77 77 ASN C C 13 178.835 0.003 . 1 . . . . 77 Asn C . 17643 1 368 . 1 1 77 77 ASN CA C 13 55.558 0.001 . 1 . . . . 77 Asn CA . 17643 1 369 . 1 1 77 77 ASN CB C 13 36.839 0.027 . 1 . . . . 77 Asn CB . 17643 1 370 . 1 1 77 77 ASN N N 15 118.947 0.040 . 1 . . . . 77 Asn N . 17643 1 371 . 1 1 78 78 ILE H H 1 7.851 0.003 . 1 . . . . 78 Ile H . 17643 1 372 . 1 1 78 78 ILE HD11 H 1 0.503 0.002 . 1 . . . . 78 Ile HD11 . 17643 1 373 . 1 1 78 78 ILE HD12 H 1 0.503 0.002 . 1 . . . . 78 Ile HD12 . 17643 1 374 . 1 1 78 78 ILE HD13 H 1 0.503 0.002 . 1 . . . . 78 Ile HD13 . 17643 1 375 . 1 1 78 78 ILE C C 13 176.498 0.001 . 1 . . . . 78 Ile C . 17643 1 376 . 1 1 78 78 ILE CA C 13 65.566 0.120 . 1 . . . . 78 Ile CA . 17643 1 377 . 1 1 78 78 ILE CB C 13 37.128 0.117 . 1 . . . . 78 Ile CB . 17643 1 378 . 1 1 78 78 ILE CD1 C 13 14.200 0.042 . 1 . . . . 78 Ile CD1 . 17643 1 379 . 1 1 78 78 ILE N N 15 121.333 0.040 . 1 . . . . 78 Ile N . 17643 1 380 . 1 1 79 79 ARG H H 1 8.428 0.005 . 1 . . . . 79 Arg H . 17643 1 381 . 1 1 79 79 ARG C C 13 179.886 0.039 . 1 . . . . 79 Arg C . 17643 1 382 . 1 1 79 79 ARG CA C 13 60.160 0.085 . 1 . . . . 79 Arg CA . 17643 1 383 . 1 1 79 79 ARG CB C 13 29.600 0.077 . 1 . . . . 79 Arg CB . 17643 1 384 . 1 1 79 79 ARG N N 15 119.881 0.040 . 1 . . . . 79 Arg N . 17643 1 385 . 1 1 80 80 THR H H 1 8.402 0.003 . 1 . . . . 80 Thr H . 17643 1 386 . 1 1 80 80 THR C C 13 175.745 0.001 . 1 . . . . 80 Thr C . 17643 1 387 . 1 1 80 80 THR CA C 13 65.743 0.133 . 1 . . . . 80 Thr CA . 17643 1 388 . 1 1 80 80 THR CB C 13 68.579 0.032 . 1 . . . . 80 Thr CB . 17643 1 389 . 1 1 80 80 THR N N 15 115.739 0.079 . 1 . . . . 80 Thr N . 17643 1 390 . 1 1 81 81 ALA H H 1 7.495 0.012 . 1 . . . . 81 Ala H . 17643 1 391 . 1 1 81 81 ALA C C 13 180.871 0.012 . 1 . . . . 81 Ala C . 17643 1 392 . 1 1 81 81 ALA CA C 13 55.333 0.038 . 1 . . . . 81 Ala CA . 17643 1 393 . 1 1 81 81 ALA CB C 13 17.243 0.009 . 1 . . . . 81 Ala CB . 17643 1 394 . 1 1 81 81 ALA N N 15 125.743 0.048 . 1 . . . . 81 Ala N . 17643 1 395 . 1 1 82 82 LEU H H 1 8.350 0.003 . 1 . . . . 82 Leu H . 17643 1 396 . 1 1 82 82 LEU HD21 H 1 -0.130 0.003 . 1 . . . . 82 Leu HD21 . 17643 1 397 . 1 1 82 82 LEU HD22 H 1 -0.130 0.003 . 1 . . . . 82 Leu HD22 . 17643 1 398 . 1 1 82 82 LEU HD23 H 1 -0.130 0.003 . 1 . . . . 82 Leu HD23 . 17643 1 399 . 1 1 82 82 LEU C C 13 181.289 0.009 . 1 . . . . 82 Leu C . 17643 1 400 . 1 1 82 82 LEU CA C 13 57.296 0.156 . 1 . . . . 82 Leu CA . 17643 1 401 . 1 1 82 82 LEU CB C 13 39.556 0.131 . 1 . . . . 82 Leu CB . 17643 1 402 . 1 1 82 82 LEU CD2 C 13 21.817 0.070 . 1 . . . . 82 Leu CD2 . 17643 1 403 . 1 1 82 82 LEU N N 15 116.786 0.039 . 1 . . . . 82 Leu N . 17643 1 404 . 1 1 83 83 GLN H H 1 7.836 0.007 . 1 . . . . 83 Gln H . 17643 1 405 . 1 1 83 83 GLN C C 13 177.715 0.003 . 1 . . . . 83 Gln C . 17643 1 406 . 1 1 83 83 GLN CA C 13 58.005 0.100 . 1 . . . . 83 Gln CA . 17643 1 407 . 1 1 83 83 GLN CB C 13 27.702 0.026 . 1 . . . . 83 Gln CB . 17643 1 408 . 1 1 83 83 GLN N N 15 119.564 0.049 . 1 . . . . 83 Gln N . 17643 1 409 . 1 1 84 84 ASN H H 1 7.759 0.005 . 1 . . . . 84 Asn H . 17643 1 410 . 1 1 84 84 ASN C C 13 173.947 0.003 . 1 . . . . 84 Asn C . 17643 1 411 . 1 1 84 84 ASN CA C 13 52.772 0.035 . 1 . . . . 84 Asn CA . 17643 1 412 . 1 1 84 84 ASN CB C 13 38.416 0.009 . 1 . . . . 84 Asn CB . 17643 1 413 . 1 1 84 84 ASN N N 15 116.170 0.060 . 1 . . . . 84 Asn N . 17643 1 414 . 1 1 85 85 LYS H H 1 8.178 0.004 . 1 . . . . 85 Lys H . 17643 1 415 . 1 1 85 85 LYS C C 13 173.816 0.013 . 1 . . . . 85 Lys C . 17643 1 416 . 1 1 85 85 LYS CA C 13 57.779 0.083 . 1 . . . . 85 Lys CA . 17643 1 417 . 1 1 85 85 LYS CB C 13 29.048 0.033 . 1 . . . . 85 Lys CB . 17643 1 418 . 1 1 85 85 LYS N N 15 120.294 0.031 . 1 . . . . 85 Lys N . 17643 1 419 . 1 1 86 86 GLU H H 1 8.400 0.004 . 1 . . . . 86 Glu H . 17643 1 420 . 1 1 86 86 GLU C C 13 173.168 0.100 . 1 . . . . 86 Glu C . 17643 1 421 . 1 1 86 86 GLU CA C 13 52.470 0.100 . 1 . . . . 86 Glu CA . 17643 1 422 . 1 1 86 86 GLU CB C 13 30.989 0.100 . 1 . . . . 86 Glu CB . 17643 1 423 . 1 1 86 86 GLU N N 15 120.170 0.036 . 1 . . . . 86 Glu N . 17643 1 424 . 1 1 87 87 PRO C C 13 176.775 0.100 . 1 . . . . 87 Pro C . 17643 1 425 . 1 1 87 87 PRO CA C 13 62.275 0.100 . 1 . . . . 87 Pro CA . 17643 1 426 . 1 1 87 87 PRO CB C 13 31.860 0.100 . 1 . . . . 87 Pro CB . 17643 1 427 . 1 1 88 88 VAL H H 1 8.615 0.005 . 1 . . . . 88 Val H . 17643 1 428 . 1 1 88 88 VAL HG21 H 1 0.670 0.003 . 1 . . . . 88 Val HG21 . 17643 1 429 . 1 1 88 88 VAL HG22 H 1 0.670 0.003 . 1 . . . . 88 Val HG22 . 17643 1 430 . 1 1 88 88 VAL HG23 H 1 0.670 0.003 . 1 . . . . 88 Val HG23 . 17643 1 431 . 1 1 88 88 VAL C C 13 172.583 0.005 . 1 . . . . 88 Val C . 17643 1 432 . 1 1 88 88 VAL CA C 13 59.922 0.053 . 1 . . . . 88 Val CA . 17643 1 433 . 1 1 88 88 VAL CB C 13 34.362 0.096 . 1 . . . . 88 Val CB . 17643 1 434 . 1 1 88 88 VAL CG2 C 13 19.502 0.081 . 1 . . . . 88 Val CG2 . 17643 1 435 . 1 1 88 88 VAL N N 15 120.219 0.029 . 1 . . . . 88 Val N . 17643 1 436 . 1 1 89 89 THR H H 1 8.202 0.005 . 1 . . . . 89 Thr H . 17643 1 437 . 1 1 89 89 THR C C 13 174.261 0.001 . 1 . . . . 89 Thr C . 17643 1 438 . 1 1 89 89 THR CA C 13 60.721 0.009 . 1 . . . . 89 Thr CA . 17643 1 439 . 1 1 89 89 THR CB C 13 70.800 0.030 . 1 . . . . 89 Thr CB . 17643 1 440 . 1 1 89 89 THR N N 15 124.991 0.033 . 1 . . . . 89 Thr N . 17643 1 441 . 1 1 90 90 VAL H H 1 8.851 0.004 . 1 . . . . 90 Val H . 17643 1 442 . 1 1 90 90 VAL HG21 H 1 0.668 0.001 . 1 . . . . 90 Val HG21 . 17643 1 443 . 1 1 90 90 VAL HG22 H 1 0.668 0.001 . 1 . . . . 90 Val HG22 . 17643 1 444 . 1 1 90 90 VAL HG23 H 1 0.668 0.001 . 1 . . . . 90 Val HG23 . 17643 1 445 . 1 1 90 90 VAL C C 13 173.807 0.008 . 1 . . . . 90 Val C . 17643 1 446 . 1 1 90 90 VAL CA C 13 58.593 0.028 . 1 . . . . 90 Val CA . 17643 1 447 . 1 1 90 90 VAL CB C 13 35.425 0.085 . 1 . . . . 90 Val CB . 17643 1 448 . 1 1 90 90 VAL CG2 C 13 19.927 0.063 . 1 . . . . 90 Val CG2 . 17643 1 449 . 1 1 90 90 VAL N N 15 119.745 0.035 . 1 . . . . 90 Val N . 17643 1 450 . 1 1 91 91 GLN H H 1 8.408 0.014 . 1 . . . . 91 Gln H . 17643 1 451 . 1 1 91 91 GLN C C 13 175.506 0.005 . 1 . . . . 91 Gln C . 17643 1 452 . 1 1 91 91 GLN CA C 13 54.496 0.077 . 1 . . . . 91 Gln CA . 17643 1 453 . 1 1 91 91 GLN CB C 13 28.165 0.008 . 1 . . . . 91 Gln CB . 17643 1 454 . 1 1 91 91 GLN N N 15 120.441 0.061 . 1 . . . . 91 Gln N . 17643 1 455 . 1 1 92 92 ILE H H 1 9.462 0.008 . 1 . . . . 92 Ile H . 17643 1 456 . 1 1 92 92 ILE HD11 H 1 0.659 0.004 . 1 . . . . 92 Ile HD11 . 17643 1 457 . 1 1 92 92 ILE HD12 H 1 0.659 0.004 . 1 . . . . 92 Ile HD12 . 17643 1 458 . 1 1 92 92 ILE HD13 H 1 0.659 0.004 . 1 . . . . 92 Ile HD13 . 17643 1 459 . 1 1 92 92 ILE C C 13 172.796 0.006 . 1 . . . . 92 Ile C . 17643 1 460 . 1 1 92 92 ILE CA C 13 59.068 0.083 . 1 . . . . 92 Ile CA . 17643 1 461 . 1 1 92 92 ILE CB C 13 43.320 0.006 . 1 . . . . 92 Ile CB . 17643 1 462 . 1 1 92 92 ILE CD1 C 13 13.816 0.052 . 1 . . . . 92 Ile CD1 . 17643 1 463 . 1 1 92 92 ILE N N 15 121.939 0.113 . 1 . . . . 92 Ile N . 17643 1 464 . 1 1 93 93 GLN H H 1 8.738 0.009 . 1 . . . . 93 Gln H . 17643 1 465 . 1 1 93 93 GLN C C 13 175.383 0.005 . 1 . . . . 93 Gln C . 17643 1 466 . 1 1 93 93 GLN CA C 13 56.306 0.074 . 1 . . . . 93 Gln CA . 17643 1 467 . 1 1 93 93 GLN CB C 13 26.308 0.007 . 1 . . . . 93 Gln CB . 17643 1 468 . 1 1 93 93 GLN N N 15 125.435 0.038 . 1 . . . . 93 Gln N . 17643 1 469 . 1 1 94 94 ASN H H 1 8.721 0.006 . 1 . . . . 94 Asn H . 17643 1 470 . 1 1 94 94 ASN C C 13 170.849 0.018 . 1 . . . . 94 Asn C . 17643 1 471 . 1 1 94 94 ASN CA C 13 49.996 0.012 . 1 . . . . 94 Asn CA . 17643 1 472 . 1 1 94 94 ASN CB C 13 45.705 0.017 . 1 . . . . 94 Asn CB . 17643 1 473 . 1 1 94 94 ASN N N 15 131.279 0.035 . 1 . . . . 94 Asn N . 17643 1 474 . 1 1 95 95 TYR H H 1 9.050 0.004 . 1 . . . . 95 Tyr H . 17643 1 475 . 1 1 95 95 TYR C C 13 177.024 0.003 . 1 . . . . 95 Tyr C . 17643 1 476 . 1 1 95 95 TYR CA C 13 57.636 0.016 . 1 . . . . 95 Tyr CA . 17643 1 477 . 1 1 95 95 TYR CB C 13 40.832 0.004 . 1 . . . . 95 Tyr CB . 17643 1 478 . 1 1 95 95 TYR N N 15 116.872 0.041 . 1 . . . . 95 Tyr N . 17643 1 479 . 1 1 96 96 LYS H H 1 9.163 0.003 . 1 . . . . 96 Lys H . 17643 1 480 . 1 1 96 96 LYS C C 13 177.806 0.011 . 1 . . . . 96 Lys C . 17643 1 481 . 1 1 96 96 LYS CA C 13 55.907 0.036 . 1 . . . . 96 Lys CA . 17643 1 482 . 1 1 96 96 LYS CB C 13 32.696 0.029 . 1 . . . . 96 Lys CB . 17643 1 483 . 1 1 96 96 LYS N N 15 122.810 0.031 . 1 . . . . 96 Lys N . 17643 1 484 . 1 1 97 97 LYS H H 1 8.491 0.009 . 1 . . . . 97 Lys H . 17643 1 485 . 1 1 97 97 LYS C C 13 177.618 0.100 . 1 . . . . 97 Lys C . 17643 1 486 . 1 1 97 97 LYS CA C 13 59.264 0.035 . 1 . . . . 97 Lys CA . 17643 1 487 . 1 1 97 97 LYS CB C 13 30.454 0.035 . 1 . . . . 97 Lys CB . 17643 1 488 . 1 1 97 97 LYS N N 15 124.859 0.069 . 1 . . . . 97 Lys N . 17643 1 489 . 1 1 98 98 ASP H H 1 7.948 0.004 . 1 . . . . 98 Asp H . 17643 1 490 . 1 1 98 98 ASP C C 13 177.338 0.001 . 1 . . . . 98 Asp C . 17643 1 491 . 1 1 98 98 ASP CA C 13 53.224 0.045 . 1 . . . . 98 Asp CA . 17643 1 492 . 1 1 98 98 ASP CB C 13 39.174 0.019 . 1 . . . . 98 Asp CB . 17643 1 493 . 1 1 98 98 ASP N N 15 114.856 0.044 . 1 . . . . 98 Asp N . 17643 1 494 . 1 1 99 99 GLY H H 1 8.302 0.005 . 1 . . . . 99 Gly H . 17643 1 495 . 1 1 99 99 GLY C C 13 175.178 0.002 . 1 . . . . 99 Gly C . 17643 1 496 . 1 1 99 99 GLY CA C 13 44.611 0.003 . 1 . . . . 99 Gly CA . 17643 1 497 . 1 1 99 99 GLY N N 15 109.403 0.059 . 1 . . . . 99 Gly N . 17643 1 498 . 1 1 100 100 THR H H 1 8.281 0.004 . 1 . . . . 100 Thr H . 17643 1 499 . 1 1 100 100 THR C C 13 173.647 0.100 . 1 . . . . 100 Thr C . 17643 1 500 . 1 1 100 100 THR CA C 13 63.757 0.100 . 1 . . . . 100 Thr CA . 17643 1 501 . 1 1 100 100 THR CB C 13 68.985 0.059 . 1 . . . . 100 Thr CB . 17643 1 502 . 1 1 100 100 THR N N 15 118.596 0.046 . 1 . . . . 100 Thr N . 17643 1 503 . 1 1 101 101 MET H H 1 8.616 0.010 . 1 . . . . 101 Met H . 17643 1 504 . 1 1 101 101 MET C C 13 175.959 0.001 . 1 . . . . 101 Met C . 17643 1 505 . 1 1 101 101 MET CA C 13 55.033 0.032 . 1 . . . . 101 Met CA . 17643 1 506 . 1 1 101 101 MET CB C 13 31.975 0.011 . 1 . . . . 101 Met CB . 17643 1 507 . 1 1 101 101 MET N N 15 128.544 0.038 . 1 . . . . 101 Met N . 17643 1 508 . 1 1 102 102 PHE H H 1 9.126 0.007 . 1 . . . . 102 Phe H . 17643 1 509 . 1 1 102 102 PHE C C 13 173.236 0.015 . 1 . . . . 102 Phe C . 17643 1 510 . 1 1 102 102 PHE CA C 13 55.470 0.023 . 1 . . . . 102 Phe CA . 17643 1 511 . 1 1 102 102 PHE CB C 13 41.355 0.001 . 1 . . . . 102 Phe CB . 17643 1 512 . 1 1 102 102 PHE N N 15 125.958 0.031 . 1 . . . . 102 Phe N . 17643 1 513 . 1 1 103 103 TRP H H 1 8.676 0.004 . 1 . . . . 103 Trp H . 17643 1 514 . 1 1 103 103 TRP HE1 H 1 10.293 0.007 . 1 . . . . 103 Trp HE1 . 17643 1 515 . 1 1 103 103 TRP C C 13 173.584 0.010 . 1 . . . . 103 Trp C . 17643 1 516 . 1 1 103 103 TRP CA C 13 57.144 0.037 . 1 . . . . 103 Trp CA . 17643 1 517 . 1 1 103 103 TRP CB C 13 30.123 0.001 . 1 . . . . 103 Trp CB . 17643 1 518 . 1 1 103 103 TRP N N 15 123.842 0.058 . 1 . . . . 103 Trp N . 17643 1 519 . 1 1 103 103 TRP NE1 N 15 129.626 0.043 . 1 . . . . 103 Trp NE1 . 17643 1 520 . 1 1 104 104 ASN H H 1 8.843 0.004 . 1 . . . . 104 Asn H . 17643 1 521 . 1 1 104 104 ASN C C 13 176.418 0.011 . 1 . . . . 104 Asn C . 17643 1 522 . 1 1 104 104 ASN CA C 13 50.098 0.014 . 1 . . . . 104 Asn CA . 17643 1 523 . 1 1 104 104 ASN CB C 13 39.882 0.012 . 1 . . . . 104 Asn CB . 17643 1 524 . 1 1 104 104 ASN N N 15 125.147 0.028 . 1 . . . . 104 Asn N . 17643 1 525 . 1 1 105 105 GLU H H 1 9.615 0.007 . 1 . . . . 105 Glu H . 17643 1 526 . 1 1 105 105 GLU C C 13 172.368 0.002 . 1 . . . . 105 Glu C . 17643 1 527 . 1 1 105 105 GLU CA C 13 56.354 0.094 . 1 . . . . 105 Glu CA . 17643 1 528 . 1 1 105 105 GLU CB C 13 29.832 0.014 . 1 . . . . 105 Glu CB . 17643 1 529 . 1 1 105 105 GLU N N 15 128.696 0.036 . 1 . . . . 105 Glu N . 17643 1 530 . 1 1 106 106 LEU H H 1 8.885 0.005 . 1 . . . . 106 Leu H . 17643 1 531 . 1 1 106 106 LEU HD21 H 1 -0.098 0.006 . 1 . . . . 106 Leu HD21 . 17643 1 532 . 1 1 106 106 LEU HD22 H 1 -0.098 0.006 . 1 . . . . 106 Leu HD22 . 17643 1 533 . 1 1 106 106 LEU HD23 H 1 -0.098 0.006 . 1 . . . . 106 Leu HD23 . 17643 1 534 . 1 1 106 106 LEU C C 13 174.842 0.013 . 1 . . . . 106 Leu C . 17643 1 535 . 1 1 106 106 LEU CA C 13 52.727 0.324 . 1 . . . . 106 Leu CA . 17643 1 536 . 1 1 106 106 LEU CB C 13 43.409 0.040 . 1 . . . . 106 Leu CB . 17643 1 537 . 1 1 106 106 LEU CD2 C 13 25.907 0.053 . 1 . . . . 106 Leu CD2 . 17643 1 538 . 1 1 106 106 LEU N N 15 134.275 0.082 . 1 . . . . 106 Leu N . 17643 1 539 . 1 1 107 107 ASN H H 1 8.945 0.006 . 1 . . . . 107 Asn H . 17643 1 540 . 1 1 107 107 ASN C C 13 174.527 0.001 . 1 . . . . 107 Asn C . 17643 1 541 . 1 1 107 107 ASN CA C 13 51.604 0.061 . 1 . . . . 107 Asn CA . 17643 1 542 . 1 1 107 107 ASN CB C 13 42.164 0.048 . 1 . . . . 107 Asn CB . 17643 1 543 . 1 1 107 107 ASN N N 15 124.927 0.034 . 1 . . . . 107 Asn N . 17643 1 544 . 1 1 108 108 ILE H H 1 8.846 0.004 . 1 . . . . 108 Ile H . 17643 1 545 . 1 1 108 108 ILE HD11 H 1 -0.565 0.004 . 1 . . . . 108 Ile HD11 . 17643 1 546 . 1 1 108 108 ILE HD12 H 1 -0.565 0.004 . 1 . . . . 108 Ile HD12 . 17643 1 547 . 1 1 108 108 ILE HD13 H 1 -0.565 0.004 . 1 . . . . 108 Ile HD13 . 17643 1 548 . 1 1 108 108 ILE C C 13 174.642 0.100 . 1 . . . . 108 Ile C . 17643 1 549 . 1 1 108 108 ILE CA C 13 59.384 0.032 . 1 . . . . 108 Ile CA . 17643 1 550 . 1 1 108 108 ILE CB C 13 39.503 0.258 . 1 . . . . 108 Ile CB . 17643 1 551 . 1 1 108 108 ILE CD1 C 13 13.950 0.060 . 1 . . . . 108 Ile CD1 . 17643 1 552 . 1 1 108 108 ILE N N 15 122.518 0.046 . 1 . . . . 108 Ile N . 17643 1 553 . 1 1 109 109 ASP H H 1 9.042 0.006 . 1 . . . . 109 Asp H . 17643 1 554 . 1 1 109 109 ASP C C 13 173.688 0.100 . 1 . . . . 109 Asp C . 17643 1 555 . 1 1 109 109 ASP CA C 13 50.517 0.100 . 1 . . . . 109 Asp CA . 17643 1 556 . 1 1 109 109 ASP CB C 13 43.011 0.100 . 1 . . . . 109 Asp CB . 17643 1 557 . 1 1 109 109 ASP N N 15 125.899 0.045 . 1 . . . . 109 Asp N . 17643 1 558 . 1 1 110 110 PRO C C 13 175.950 0.100 . 1 . . . . 110 Pro C . 17643 1 559 . 1 1 110 110 PRO CA C 13 61.678 0.100 . 1 . . . . 110 Pro CA . 17643 1 560 . 1 1 110 110 PRO CB C 13 30.812 0.100 . 1 . . . . 110 Pro CB . 17643 1 561 . 1 1 111 111 MET H H 1 8.823 0.005 . 1 . . . . 111 Met H . 17643 1 562 . 1 1 111 111 MET C C 13 173.648 0.007 . 1 . . . . 111 Met C . 17643 1 563 . 1 1 111 111 MET CA C 13 54.567 0.045 . 1 . . . . 111 Met CA . 17643 1 564 . 1 1 111 111 MET CB C 13 35.751 0.005 . 1 . . . . 111 Met CB . 17643 1 565 . 1 1 111 111 MET N N 15 120.196 0.062 . 1 . . . . 111 Met N . 17643 1 566 . 1 1 112 112 GLU H H 1 8.615 0.003 . 1 . . . . 112 Glu H . 17643 1 567 . 1 1 112 112 GLU C C 13 176.001 0.003 . 1 . . . . 112 Glu C . 17643 1 568 . 1 1 112 112 GLU CA C 13 54.645 0.100 . 1 . . . . 112 Glu CA . 17643 1 569 . 1 1 112 112 GLU CB C 13 30.249 0.016 . 1 . . . . 112 Glu CB . 17643 1 570 . 1 1 112 112 GLU N N 15 124.531 0.043 . 1 . . . . 112 Glu N . 17643 1 571 . 1 1 113 113 ILE H H 1 8.972 0.006 . 1 . . . . 113 Ile H . 17643 1 572 . 1 1 113 113 ILE C C 13 175.703 0.015 . 1 . . . . 113 Ile C . 17643 1 573 . 1 1 113 113 ILE CA C 13 59.556 0.057 . 1 . . . . 113 Ile CA . 17643 1 574 . 1 1 113 113 ILE CB C 13 38.513 0.017 . 1 . . . . 113 Ile CB . 17643 1 575 . 1 1 113 113 ILE N N 15 126.816 0.052 . 1 . . . . 113 Ile N . 17643 1 576 . 1 1 114 114 GLU H H 1 9.346 0.005 . 1 . . . . 114 Glu H . 17643 1 577 . 1 1 114 114 GLU C C 13 175.391 0.003 . 1 . . . . 114 Glu C . 17643 1 578 . 1 1 114 114 GLU CA C 13 57.752 0.010 . 1 . . . . 114 Glu CA . 17643 1 579 . 1 1 114 114 GLU CB C 13 26.508 0.024 . 1 . . . . 114 Glu CB . 17643 1 580 . 1 1 114 114 GLU N N 15 127.351 0.033 . 1 . . . . 114 Glu N . 17643 1 581 . 1 1 115 115 ASP H H 1 8.692 0.003 . 1 . . . . 115 Asp H . 17643 1 582 . 1 1 115 115 ASP C C 13 174.936 0.008 . 1 . . . . 115 Asp C . 17643 1 583 . 1 1 115 115 ASP CA C 13 54.730 0.060 . 1 . . . . 115 Asp CA . 17643 1 584 . 1 1 115 115 ASP CB C 13 39.349 0.034 . 1 . . . . 115 Asp CB . 17643 1 585 . 1 1 115 115 ASP N N 15 116.805 0.029 . 1 . . . . 115 Asp N . 17643 1 586 . 1 1 116 116 LYS H H 1 8.101 0.005 . 1 . . . . 116 Lys H . 17643 1 587 . 1 1 116 116 LYS C C 13 174.886 0.002 . 1 . . . . 116 Lys C . 17643 1 588 . 1 1 116 116 LYS CA C 13 54.980 0.016 . 1 . . . . 116 Lys CA . 17643 1 589 . 1 1 116 116 LYS CB C 13 34.037 0.003 . 1 . . . . 116 Lys CB . 17643 1 590 . 1 1 116 116 LYS N N 15 122.571 0.046 . 1 . . . . 116 Lys N . 17643 1 591 . 1 1 117 117 THR H H 1 7.822 0.006 . 1 . . . . 117 Thr H . 17643 1 592 . 1 1 117 117 THR C C 13 173.139 0.002 . 1 . . . . 117 Thr C . 17643 1 593 . 1 1 117 117 THR CA C 13 62.083 0.105 . 1 . . . . 117 Thr CA . 17643 1 594 . 1 1 117 117 THR CB C 13 69.491 0.023 . 1 . . . . 117 Thr CB . 17643 1 595 . 1 1 117 117 THR N N 15 120.029 0.032 . 1 . . . . 117 Thr N . 17643 1 596 . 1 1 118 118 TYR H H 1 8.778 0.005 . 1 . . . . 118 Tyr H . 17643 1 597 . 1 1 118 118 TYR C C 13 174.740 0.002 . 1 . . . . 118 Tyr C . 17643 1 598 . 1 1 118 118 TYR CA C 13 56.498 0.029 . 1 . . . . 118 Tyr CA . 17643 1 599 . 1 1 118 118 TYR CB C 13 42.047 0.007 . 1 . . . . 118 Tyr CB . 17643 1 600 . 1 1 118 118 TYR N N 15 123.192 0.044 . 1 . . . . 118 Tyr N . 17643 1 601 . 1 1 119 119 PHE H H 1 8.227 0.006 . 1 . . . . 119 Phe H . 17643 1 602 . 1 1 119 119 PHE C C 13 174.464 0.006 . 1 . . . . 119 Phe C . 17643 1 603 . 1 1 119 119 PHE CA C 13 57.706 0.015 . 1 . . . . 119 Phe CA . 17643 1 604 . 1 1 119 119 PHE CB C 13 41.618 0.048 . 1 . . . . 119 Phe CB . 17643 1 605 . 1 1 119 119 PHE N N 15 115.524 0.033 . 1 . . . . 119 Phe N . 17643 1 606 . 1 1 120 120 VAL H H 1 9.070 0.006 . 1 . . . . 120 Val H . 17643 1 607 . 1 1 120 120 VAL C C 13 173.318 0.025 . 1 . . . . 120 Val C . 17643 1 608 . 1 1 120 120 VAL CA C 13 57.924 0.100 . 1 . . . . 120 Val CA . 17643 1 609 . 1 1 120 120 VAL CB C 13 33.859 0.007 . 1 . . . . 120 Val CB . 17643 1 610 . 1 1 120 120 VAL N N 15 121.516 0.031 . 1 . . . . 120 Val N . 17643 1 611 . 1 1 121 121 GLY H H 1 9.720 0.006 . 1 . . . . 121 Gly H . 17643 1 612 . 1 1 121 121 GLY C C 13 170.126 0.011 . 1 . . . . 121 Gly C . 17643 1 613 . 1 1 121 121 GLY CA C 13 43.914 0.015 . 1 . . . . 121 Gly CA . 17643 1 614 . 1 1 121 121 GLY N N 15 117.084 0.030 . 1 . . . . 121 Gly N . 17643 1 615 . 1 1 122 122 ILE H H 1 9.223 0.008 . 1 . . . . 122 Ile H . 17643 1 616 . 1 1 122 122 ILE C C 13 176.407 0.014 . 1 . . . . 122 Ile C . 17643 1 617 . 1 1 122 122 ILE CA C 13 57.631 0.100 . 1 . . . . 122 Ile CA . 17643 1 618 . 1 1 122 122 ILE CB C 13 38.359 0.100 . 1 . . . . 122 Ile CB . 17643 1 619 . 1 1 122 122 ILE N N 15 125.210 0.080 . 1 . . . . 122 Ile N . 17643 1 620 . 1 1 123 123 GLN H H 1 9.035 0.005 . 1 . . . . 123 Gln H . 17643 1 621 . 1 1 123 123 GLN C C 13 174.416 0.100 . 1 . . . . 123 Gln C . 17643 1 622 . 1 1 123 123 GLN CA C 13 56.526 0.117 . 1 . . . . 123 Gln CA . 17643 1 623 . 1 1 123 123 GLN CB C 13 27.185 0.068 . 1 . . . . 123 Gln CB . 17643 1 624 . 1 1 123 123 GLN N N 15 127.409 0.053 . 1 . . . . 123 Gln N . 17643 1 625 . 1 1 124 124 ASN H H 1 8.281 0.007 . 1 . . . . 124 Asn H . 17643 1 626 . 1 1 124 124 ASN C C 13 174.235 0.021 . 1 . . . . 124 Asn C . 17643 1 627 . 1 1 124 124 ASN CA C 13 51.040 0.067 . 1 . . . . 124 Asn CA . 17643 1 628 . 1 1 124 124 ASN CB C 13 40.392 0.029 . 1 . . . . 124 Asn CB . 17643 1 629 . 1 1 124 124 ASN N N 15 122.439 0.067 . 1 . . . . 124 Asn N . 17643 1 630 . 1 1 125 125 ASP H H 1 8.546 0.009 . 1 . . . . 125 Asp H . 17643 1 631 . 1 1 125 125 ASP C C 13 177.883 0.009 . 1 . . . . 125 Asp C . 17643 1 632 . 1 1 125 125 ASP CA C 13 53.684 0.047 . 1 . . . . 125 Asp CA . 17643 1 633 . 1 1 125 125 ASP CB C 13 39.013 0.045 . 1 . . . . 125 Asp CB . 17643 1 634 . 1 1 125 125 ASP N N 15 125.036 0.052 . 1 . . . . 125 Asp N . 17643 1 635 . 1 1 126 126 ILE H H 1 8.797 0.007 . 1 . . . . 126 Ile H . 17643 1 636 . 1 1 126 126 ILE HD11 H 1 0.735 0.003 . 1 . . . . 126 Ile HD11 . 17643 1 637 . 1 1 126 126 ILE HD12 H 1 0.735 0.003 . 1 . . . . 126 Ile HD12 . 17643 1 638 . 1 1 126 126 ILE HD13 H 1 0.735 0.003 . 1 . . . . 126 Ile HD13 . 17643 1 639 . 1 1 126 126 ILE C C 13 176.516 0.100 . 1 . . . . 126 Ile C . 17643 1 640 . 1 1 126 126 ILE CA C 13 60.541 0.085 . 1 . . . . 126 Ile CA . 17643 1 641 . 1 1 126 126 ILE CB C 13 37.145 0.084 . 1 . . . . 126 Ile CB . 17643 1 642 . 1 1 126 126 ILE CD1 C 13 15.252 0.023 . 1 . . . . 126 Ile CD1 . 17643 1 643 . 1 1 126 126 ILE N N 15 123.534 0.100 . 1 . . . . 126 Ile N . 17643 1 644 . 1 1 127 127 THR C C 13 176.551 0.100 . 1 . . . . 127 Thr C . 17643 1 645 . 1 1 127 127 THR CA C 13 68.885 0.100 . 1 . . . . 127 Thr CA . 17643 1 646 . 1 1 128 128 LYS H H 1 8.805 0.002 . 1 . . . . 128 Lys H . 17643 1 647 . 1 1 128 128 LYS C C 13 178.102 0.010 . 1 . . . . 128 Lys C . 17643 1 648 . 1 1 128 128 LYS CA C 13 58.791 0.013 . 1 . . . . 128 Lys CA . 17643 1 649 . 1 1 128 128 LYS CB C 13 30.483 0.028 . 1 . . . . 128 Lys CB . 17643 1 650 . 1 1 128 128 LYS N N 15 121.135 0.039 . 1 . . . . 128 Lys N . 17643 1 651 . 1 1 129 129 GLN H H 1 7.622 0.006 . 1 . . . . 129 Gln H . 17643 1 652 . 1 1 129 129 GLN C C 13 178.516 0.005 . 1 . . . . 129 Gln C . 17643 1 653 . 1 1 129 129 GLN CA C 13 58.934 0.006 . 1 . . . . 129 Gln CA . 17643 1 654 . 1 1 129 129 GLN CB C 13 27.662 0.004 . 1 . . . . 129 Gln CB . 17643 1 655 . 1 1 129 129 GLN N N 15 120.376 0.052 . 1 . . . . 129 Gln N . 17643 1 656 . 1 1 130 130 LYS H H 1 8.053 0.004 . 1 . . . . 130 Lys H . 17643 1 657 . 1 1 130 130 LYS C C 13 180.219 0.016 . 1 . . . . 130 Lys C . 17643 1 658 . 1 1 130 130 LYS CA C 13 57.236 0.100 . 1 . . . . 130 Lys CA . 17643 1 659 . 1 1 130 130 LYS CB C 13 29.421 0.129 . 1 . . . . 130 Lys CB . 17643 1 660 . 1 1 130 130 LYS N N 15 118.311 0.050 . 1 . . . . 130 Lys N . 17643 1 661 . 1 1 131 131 GLU H H 1 8.176 0.009 . 1 . . . . 131 Glu H . 17643 1 662 . 1 1 131 131 GLU C C 13 179.617 0.003 . 1 . . . . 131 Glu C . 17643 1 663 . 1 1 131 131 GLU CA C 13 59.056 0.100 . 1 . . . . 131 Glu CA . 17643 1 664 . 1 1 131 131 GLU CB C 13 28.312 0.100 . 1 . . . . 131 Glu CB . 17643 1 665 . 1 1 131 131 GLU N N 15 122.514 0.095 . 1 . . . . 131 Glu N . 17643 1 666 . 1 1 132 132 TYR H H 1 8.367 0.011 . 1 . . . . 132 Tyr H . 17643 1 667 . 1 1 132 132 TYR C C 13 178.249 0.034 . 1 . . . . 132 Tyr C . 17643 1 668 . 1 1 132 132 TYR CA C 13 60.465 0.100 . 1 . . . . 132 Tyr CA . 17643 1 669 . 1 1 132 132 TYR CB C 13 36.803 0.061 . 1 . . . . 132 Tyr CB . 17643 1 670 . 1 1 132 132 TYR N N 15 120.440 0.044 . 1 . . . . 132 Tyr N . 17643 1 671 . 1 1 133 133 GLU H H 1 8.174 0.006 . 1 . . . . 133 Glu H . 17643 1 672 . 1 1 133 133 GLU C C 13 179.345 0.002 . 1 . . . . 133 Glu C . 17643 1 673 . 1 1 133 133 GLU CA C 13 59.352 0.037 . 1 . . . . 133 Glu CA . 17643 1 674 . 1 1 133 133 GLU CB C 13 28.581 0.014 . 1 . . . . 133 Glu CB . 17643 1 675 . 1 1 133 133 GLU N N 15 119.161 0.061 . 1 . . . . 133 Glu N . 17643 1 676 . 1 1 134 134 LYS H H 1 7.545 0.003 . 1 . . . . 134 Lys H . 17643 1 677 . 1 1 134 134 LYS C C 13 178.094 0.003 . 1 . . . . 134 Lys C . 17643 1 678 . 1 1 134 134 LYS CA C 13 58.256 0.135 . 1 . . . . 134 Lys CA . 17643 1 679 . 1 1 134 134 LYS CB C 13 31.129 0.025 . 1 . . . . 134 Lys CB . 17643 1 680 . 1 1 134 134 LYS N N 15 121.541 0.023 . 1 . . . . 134 Lys N . 17643 1 681 . 1 1 135 135 LEU H H 1 8.272 0.006 . 1 . . . . 135 Leu H . 17643 1 682 . 1 1 135 135 LEU C C 13 181.373 0.011 . 1 . . . . 135 Leu C . 17643 1 683 . 1 1 135 135 LEU CA C 13 57.443 0.060 . 1 . . . . 135 Leu CA . 17643 1 684 . 1 1 135 135 LEU CB C 13 41.284 0.034 . 1 . . . . 135 Leu CB . 17643 1 685 . 1 1 135 135 LEU N N 15 120.360 0.074 . 1 . . . . 135 Leu N . 17643 1 686 . 1 1 136 136 LEU H H 1 8.669 0.003 . 1 . . . . 136 Leu H . 17643 1 687 . 1 1 136 136 LEU C C 13 178.706 0.004 . 1 . . . . 136 Leu C . 17643 1 688 . 1 1 136 136 LEU CA C 13 57.772 0.056 . 1 . . . . 136 Leu CA . 17643 1 689 . 1 1 136 136 LEU CB C 13 40.725 0.100 . 1 . . . . 136 Leu CB . 17643 1 690 . 1 1 136 136 LEU N N 15 122.606 0.068 . 1 . . . . 136 Leu N . 17643 1 691 . 1 1 137 137 GLU H H 1 8.008 0.007 . 1 . . . . 137 Glu H . 17643 1 692 . 1 1 137 137 GLU C C 13 179.947 0.100 . 1 . . . . 137 Glu C . 17643 1 693 . 1 1 137 137 GLU CA C 13 59.526 0.026 . 1 . . . . 137 Glu CA . 17643 1 694 . 1 1 137 137 GLU CB C 13 28.520 0.010 . 1 . . . . 137 Glu CB . 17643 1 695 . 1 1 137 137 GLU N N 15 121.738 0.043 . 1 . . . . 137 Glu N . 17643 1 696 . 1 1 138 138 ASP H H 1 8.760 0.010 . 1 . . . . 138 Asp H . 17643 1 697 . 1 1 138 138 ASP C C 13 179.823 0.100 . 1 . . . . 138 Asp C . 17643 1 698 . 1 1 138 138 ASP CA C 13 57.014 0.100 . 1 . . . . 138 Asp CA . 17643 1 699 . 1 1 138 138 ASP CB C 13 39.164 0.048 . 1 . . . . 138 Asp CB . 17643 1 700 . 1 1 138 138 ASP N N 15 120.722 0.058 . 1 . . . . 138 Asp N . 17643 1 701 . 1 1 139 139 SER H H 1 8.350 0.005 . 1 . . . . 139 Ser H . 17643 1 702 . 1 1 139 139 SER C C 13 175.812 0.100 . 1 . . . . 139 Ser C . 17643 1 703 . 1 1 139 139 SER CA C 13 62.552 0.100 . 1 . . . . 139 Ser CA . 17643 1 704 . 1 1 139 139 SER N N 15 119.433 0.042 . 1 . . . . 139 Ser N . 17643 1 705 . 1 1 140 140 LEU H H 1 8.437 0.003 . 1 . . . . 140 Leu H . 17643 1 706 . 1 1 140 140 LEU C C 13 176.548 0.100 . 1 . . . . 140 Leu C . 17643 1 707 . 1 1 140 140 LEU CA C 13 58.018 0.065 . 1 . . . . 140 Leu CA . 17643 1 708 . 1 1 140 140 LEU CB C 13 39.776 0.011 . 1 . . . . 140 Leu CB . 17643 1 709 . 1 1 140 140 LEU N N 15 123.691 0.168 . 1 . . . . 140 Leu N . 17643 1 710 . 1 1 141 141 THR H H 1 8.178 0.005 . 1 . . . . 141 Thr H . 17643 1 711 . 1 1 141 141 THR C C 13 176.882 0.100 . 1 . . . . 141 Thr C . 17643 1 712 . 1 1 141 141 THR CA C 13 66.053 0.054 . 1 . . . . 141 Thr CA . 17643 1 713 . 1 1 141 141 THR CB C 13 68.057 0.019 . 1 . . . . 141 Thr CB . 17643 1 714 . 1 1 141 141 THR N N 15 118.142 0.054 . 1 . . . . 141 Thr N . 17643 1 715 . 1 1 142 142 GLU H H 1 7.889 0.005 . 1 . . . . 142 Glu H . 17643 1 716 . 1 1 142 142 GLU C C 13 178.463 0.001 . 1 . . . . 142 Glu C . 17643 1 717 . 1 1 142 142 GLU CA C 13 58.845 0.100 . 1 . . . . 142 Glu CA . 17643 1 718 . 1 1 142 142 GLU CB C 13 28.338 0.100 . 1 . . . . 142 Glu CB . 17643 1 719 . 1 1 142 142 GLU N N 15 125.773 0.059 . 1 . . . . 142 Glu N . 17643 1 720 . 1 1 143 143 ILE H H 1 8.401 0.004 . 1 . . . . 143 Ile H . 17643 1 721 . 1 1 143 143 ILE HD11 H 1 1.021 0.003 . 1 . . . . 143 Ile HD11 . 17643 1 722 . 1 1 143 143 ILE HD12 H 1 1.021 0.003 . 1 . . . . 143 Ile HD12 . 17643 1 723 . 1 1 143 143 ILE HD13 H 1 1.021 0.003 . 1 . . . . 143 Ile HD13 . 17643 1 724 . 1 1 143 143 ILE C C 13 179.634 0.100 . 1 . . . . 143 Ile C . 17643 1 725 . 1 1 143 143 ILE CA C 13 65.988 0.081 . 1 . . . . 143 Ile CA . 17643 1 726 . 1 1 143 143 ILE CB C 13 37.159 0.152 . 1 . . . . 143 Ile CB . 17643 1 727 . 1 1 143 143 ILE CD1 C 13 13.326 0.036 . 1 . . . . 143 Ile CD1 . 17643 1 728 . 1 1 143 143 ILE N N 15 120.028 0.044 . 1 . . . . 143 Ile N . 17643 1 729 . 1 1 144 144 THR H H 1 8.059 0.004 . 1 . . . . 144 Thr H . 17643 1 730 . 1 1 144 144 THR C C 13 177.186 0.100 . 1 . . . . 144 Thr C . 17643 1 731 . 1 1 144 144 THR CA C 13 66.488 0.100 . 1 . . . . 144 Thr CA . 17643 1 732 . 1 1 144 144 THR CB C 13 67.789 0.007 . 1 . . . . 144 Thr CB . 17643 1 733 . 1 1 144 144 THR N N 15 117.347 0.048 . 1 . . . . 144 Thr N . 17643 1 734 . 1 1 145 145 ALA H H 1 7.930 0.003 . 1 . . . . 145 Ala H . 17643 1 735 . 1 1 145 145 ALA C C 13 179.855 0.007 . 1 . . . . 145 Ala C . 17643 1 736 . 1 1 145 145 ALA CA C 13 54.728 0.077 . 1 . . . . 145 Ala CA . 17643 1 737 . 1 1 145 145 ALA CB C 13 17.199 0.032 . 1 . . . . 145 Ala CB . 17643 1 738 . 1 1 145 145 ALA N N 15 126.175 0.040 . 1 . . . . 145 Ala N . 17643 1 739 . 1 1 146 146 LEU H H 1 7.952 0.004 . 1 . . . . 146 Leu H . 17643 1 740 . 1 1 146 146 LEU C C 13 178.323 0.010 . 1 . . . . 146 Leu C . 17643 1 741 . 1 1 146 146 LEU CA C 13 53.760 0.100 . 1 . . . . 146 Leu CA . 17643 1 742 . 1 1 146 146 LEU CB C 13 43.153 0.020 . 1 . . . . 146 Leu CB . 17643 1 743 . 1 1 146 146 LEU N N 15 117.378 0.061 . 1 . . . . 146 Leu N . 17643 1 744 . 1 1 147 147 SER H H 1 7.507 0.007 . 1 . . . . 147 Ser H . 17643 1 745 . 1 1 147 147 SER C C 13 174.708 0.100 . 1 . . . . 147 Ser C . 17643 1 746 . 1 1 147 147 SER CA C 13 62.561 0.013 . 1 . . . . 147 Ser CA . 17643 1 747 . 1 1 147 147 SER CB C 13 64.188 0.005 . 1 . . . . 147 Ser CB . 17643 1 748 . 1 1 147 147 SER N N 15 112.552 0.051 . 1 . . . . 147 Ser N . 17643 1 749 . 1 1 148 148 THR H H 1 8.049 0.006 . 1 . . . . 148 Thr H . 17643 1 750 . 1 1 148 148 THR C C 13 171.365 0.100 . 1 . . . . 148 Thr C . 17643 1 751 . 1 1 148 148 THR CA C 13 59.071 0.100 . 1 . . . . 148 Thr CA . 17643 1 752 . 1 1 148 148 THR CB C 13 67.658 0.100 . 1 . . . . 148 Thr CB . 17643 1 753 . 1 1 148 148 THR N N 15 113.271 0.046 . 1 . . . . 148 Thr N . 17643 1 754 . 1 1 149 149 PRO C C 13 173.221 0.100 . 1 . . . . 149 Pro C . 17643 1 755 . 1 1 149 149 PRO CA C 13 62.226 0.100 . 1 . . . . 149 Pro CA . 17643 1 756 . 1 1 149 149 PRO CB C 13 28.847 0.100 . 1 . . . . 149 Pro CB . 17643 1 757 . 1 1 150 150 ILE H H 1 7.587 0.004 . 1 . . . . 150 Ile H . 17643 1 758 . 1 1 150 150 ILE C C 13 176.119 0.005 . 1 . . . . 150 Ile C . 17643 1 759 . 1 1 150 150 ILE CA C 13 59.328 0.030 . 1 . . . . 150 Ile CA . 17643 1 760 . 1 1 150 150 ILE CB C 13 38.831 0.021 . 1 . . . . 150 Ile CB . 17643 1 761 . 1 1 150 150 ILE N N 15 121.429 0.055 . 1 . . . . 150 Ile N . 17643 1 762 . 1 1 151 151 VAL H H 1 9.243 0.003 . 1 . . . . 151 Val H . 17643 1 763 . 1 1 151 151 VAL HG21 H 1 0.768 0.003 . 1 . . . . 151 Val HG21 . 17643 1 764 . 1 1 151 151 VAL HG22 H 1 0.768 0.003 . 1 . . . . 151 Val HG22 . 17643 1 765 . 1 1 151 151 VAL HG23 H 1 0.768 0.003 . 1 . . . . 151 Val HG23 . 17643 1 766 . 1 1 151 151 VAL C C 13 173.224 0.100 . 1 . . . . 151 Val C . 17643 1 767 . 1 1 151 151 VAL CA C 13 57.543 0.084 . 1 . . . . 151 Val CA . 17643 1 768 . 1 1 151 151 VAL CB C 13 34.405 0.110 . 1 . . . . 151 Val CB . 17643 1 769 . 1 1 151 151 VAL CG2 C 13 20.743 0.078 . 1 . . . . 151 Val CG2 . 17643 1 770 . 1 1 151 151 VAL N N 15 126.432 0.028 . 1 . . . . 151 Val N . 17643 1 771 . 1 1 152 152 PRO C C 13 175.295 0.100 . 1 . . . . 152 Pro C . 17643 1 772 . 1 1 152 152 PRO CA C 13 62.224 0.100 . 1 . . . . 152 Pro CA . 17643 1 773 . 1 1 152 152 PRO CB C 13 30.884 0.100 . 1 . . . . 152 Pro CB . 17643 1 774 . 1 1 153 153 ILE H H 1 8.100 0.004 . 1 . . . . 153 Ile H . 17643 1 775 . 1 1 153 153 ILE HD11 H 1 0.553 0.004 . 1 . . . . 153 Ile HD11 . 17643 1 776 . 1 1 153 153 ILE HD12 H 1 0.553 0.004 . 1 . . . . 153 Ile HD12 . 17643 1 777 . 1 1 153 153 ILE HD13 H 1 0.553 0.004 . 1 . . . . 153 Ile HD13 . 17643 1 778 . 1 1 153 153 ILE C C 13 175.243 0.018 . 1 . . . . 153 Ile C . 17643 1 779 . 1 1 153 153 ILE CA C 13 61.917 0.193 . 1 . . . . 153 Ile CA . 17643 1 780 . 1 1 153 153 ILE CB C 13 38.812 0.162 . 1 . . . . 153 Ile CB . 17643 1 781 . 1 1 153 153 ILE CD1 C 13 12.739 0.047 . 1 . . . . 153 Ile CD1 . 17643 1 782 . 1 1 153 153 ILE N N 15 119.650 0.057 . 1 . . . . 153 Ile N . 17643 1 783 . 1 1 154 154 ARG H H 1 7.853 0.004 . 1 . . . . 154 Arg H . 17643 1 784 . 1 1 154 154 ARG C C 13 175.117 0.100 . 1 . . . . 154 Arg C . 17643 1 785 . 1 1 154 154 ARG CA C 13 53.918 0.100 . 1 . . . . 154 Arg CA . 17643 1 786 . 1 1 154 154 ARG CB C 13 32.063 0.100 . 1 . . . . 154 Arg CB . 17643 1 787 . 1 1 154 154 ARG N N 15 113.160 0.049 . 1 . . . . 154 Arg N . 17643 1 788 . 1 1 155 155 ASN C C 13 176.010 0.100 . 1 . . . . 155 Asn C . 17643 1 789 . 1 1 155 155 ASN CA C 13 55.621 0.100 . 1 . . . . 155 Asn CA . 17643 1 790 . 1 1 155 155 ASN CB C 13 36.641 0.100 . 1 . . . . 155 Asn CB . 17643 1 791 . 1 1 156 156 GLY H H 1 8.749 0.004 . 1 . . . . 156 Gly H . 17643 1 792 . 1 1 156 156 GLY C C 13 173.670 0.007 . 1 . . . . 156 Gly C . 17643 1 793 . 1 1 156 156 GLY CA C 13 46.192 0.005 . 1 . . . . 156 Gly CA . 17643 1 794 . 1 1 156 156 GLY N N 15 114.003 0.036 . 1 . . . . 156 Gly N . 17643 1 795 . 1 1 157 157 ILE H H 1 8.276 0.006 . 1 . . . . 157 Ile H . 17643 1 796 . 1 1 157 157 ILE HD11 H 1 0.234 0.005 . 1 . . . . 157 Ile HD11 . 17643 1 797 . 1 1 157 157 ILE HD12 H 1 0.234 0.005 . 1 . . . . 157 Ile HD12 . 17643 1 798 . 1 1 157 157 ILE HD13 H 1 0.234 0.005 . 1 . . . . 157 Ile HD13 . 17643 1 799 . 1 1 157 157 ILE C C 13 175.636 0.003 . 1 . . . . 157 Ile C . 17643 1 800 . 1 1 157 157 ILE CA C 13 61.080 0.013 . 1 . . . . 157 Ile CA . 17643 1 801 . 1 1 157 157 ILE CB C 13 41.075 0.110 . 1 . . . . 157 Ile CB . 17643 1 802 . 1 1 157 157 ILE CD1 C 13 10.833 0.050 . 1 . . . . 157 Ile CD1 . 17643 1 803 . 1 1 157 157 ILE N N 15 119.198 0.021 . 1 . . . . 157 Ile N . 17643 1 804 . 1 1 158 158 SER H H 1 8.018 0.004 . 1 . . . . 158 Ser H . 17643 1 805 . 1 1 158 158 SER C C 13 171.460 0.007 . 1 . . . . 158 Ser C . 17643 1 806 . 1 1 158 158 SER CA C 13 57.463 0.036 . 1 . . . . 158 Ser CA . 17643 1 807 . 1 1 158 158 SER CB C 13 65.814 0.015 . 1 . . . . 158 Ser CB . 17643 1 808 . 1 1 158 158 SER N N 15 123.858 0.045 . 1 . . . . 158 Ser N . 17643 1 809 . 1 1 159 159 ALA H H 1 9.137 0.005 . 1 . . . . 159 Ala H . 17643 1 810 . 1 1 159 159 ALA C C 13 174.800 0.019 . 1 . . . . 159 Ala C . 17643 1 811 . 1 1 159 159 ALA CA C 13 49.563 0.022 . 1 . . . . 159 Ala CA . 17643 1 812 . 1 1 159 159 ALA CB C 13 22.370 0.014 . 1 . . . . 159 Ala CB . 17643 1 813 . 1 1 159 159 ALA N N 15 123.699 0.050 . 1 . . . . 159 Ala N . 17643 1 814 . 1 1 160 160 LEU H H 1 9.190 0.006 . 1 . . . . 160 Leu H . 17643 1 815 . 1 1 160 160 LEU C C 13 173.179 0.100 . 1 . . . . 160 Leu C . 17643 1 816 . 1 1 160 160 LEU CA C 13 50.971 0.100 . 1 . . . . 160 Leu CA . 17643 1 817 . 1 1 160 160 LEU CB C 13 44.359 0.100 . 1 . . . . 160 Leu CB . 17643 1 818 . 1 1 160 160 LEU N N 15 122.166 0.029 . 1 . . . . 160 Leu N . 17643 1 819 . 1 1 161 161 PRO C C 13 174.835 0.100 . 1 . . . . 161 Pro C . 17643 1 820 . 1 1 161 161 PRO CA C 13 61.175 0.100 . 1 . . . . 161 Pro CA . 17643 1 821 . 1 1 161 161 PRO CB C 13 30.553 0.100 . 1 . . . . 161 Pro CB . 17643 1 822 . 1 1 162 162 LEU H H 1 8.654 0.006 . 1 . . . . 162 Leu H . 17643 1 823 . 1 1 162 162 LEU C C 13 175.485 0.009 . 1 . . . . 162 Leu C . 17643 1 824 . 1 1 162 162 LEU CA C 13 53.838 0.018 . 1 . . . . 162 Leu CA . 17643 1 825 . 1 1 162 162 LEU CB C 13 41.688 0.021 . 1 . . . . 162 Leu CB . 17643 1 826 . 1 1 162 162 LEU N N 15 126.181 0.020 . 1 . . . . 162 Leu N . 17643 1 827 . 1 1 163 163 VAL H H 1 7.969 0.006 . 1 . . . . 163 Val H . 17643 1 828 . 1 1 163 163 VAL HG21 H 1 0.562 0.005 . 1 . . . . 163 Val HG21 . 17643 1 829 . 1 1 163 163 VAL HG22 H 1 0.562 0.005 . 1 . . . . 163 Val HG22 . 17643 1 830 . 1 1 163 163 VAL HG23 H 1 0.562 0.005 . 1 . . . . 163 Val HG23 . 17643 1 831 . 1 1 163 163 VAL C C 13 175.887 0.004 . 1 . . . . 163 Val C . 17643 1 832 . 1 1 163 163 VAL CA C 13 58.652 0.141 . 1 . . . . 163 Val CA . 17643 1 833 . 1 1 163 163 VAL CB C 13 34.081 0.247 . 1 . . . . 163 Val CB . 17643 1 834 . 1 1 163 163 VAL CG2 C 13 19.486 0.045 . 1 . . . . 163 Val CG2 . 17643 1 835 . 1 1 163 163 VAL N N 15 119.578 0.042 . 1 . . . . 163 Val N . 17643 1 836 . 1 1 164 164 GLY H H 1 8.008 0.009 . 1 . . . . 164 Gly H . 17643 1 837 . 1 1 164 164 GLY C C 13 173.147 0.100 . 1 . . . . 164 Gly C . 17643 1 838 . 1 1 164 164 GLY CA C 13 44.767 0.021 . 1 . . . . 164 Gly CA . 17643 1 839 . 1 1 164 164 GLY N N 15 110.030 0.039 . 1 . . . . 164 Gly N . 17643 1 840 . 1 1 165 165 ASN H H 1 9.903 0.038 . 1 . . . . 165 Asn H . 17643 1 841 . 1 1 165 165 ASN C C 13 175.529 0.006 . 1 . . . . 165 Asn C . 17643 1 842 . 1 1 165 165 ASN CA C 13 52.565 0.077 . 1 . . . . 165 Asn CA . 17643 1 843 . 1 1 165 165 ASN CB C 13 39.287 0.008 . 1 . . . . 165 Asn CB . 17643 1 844 . 1 1 165 165 ASN N N 15 123.022 0.039 . 1 . . . . 165 Asn N . 17643 1 845 . 1 1 166 166 LEU H H 1 9.041 0.004 . 1 . . . . 166 Leu H . 17643 1 846 . 1 1 166 166 LEU C C 13 175.148 0.100 . 1 . . . . 166 Leu C . 17643 1 847 . 1 1 166 166 LEU CA C 13 53.634 0.022 . 1 . . . . 166 Leu CA . 17643 1 848 . 1 1 166 166 LEU CB C 13 39.989 0.035 . 1 . . . . 166 Leu CB . 17643 1 849 . 1 1 166 166 LEU N N 15 129.667 0.043 . 1 . . . . 166 Leu N . 17643 1 850 . 1 1 167 167 THR H H 1 7.016 0.011 . 1 . . . . 167 Thr H . 17643 1 851 . 1 1 167 167 THR C C 13 174.876 0.009 . 1 . . . . 167 Thr C . 17643 1 852 . 1 1 167 167 THR CA C 13 60.218 0.090 . 1 . . . . 167 Thr CA . 17643 1 853 . 1 1 167 167 THR CB C 13 70.651 0.036 . 1 . . . . 167 Thr CB . 17643 1 854 . 1 1 167 167 THR N N 15 115.353 0.038 . 1 . . . . 167 Thr N . 17643 1 855 . 1 1 168 168 GLU H H 1 9.044 0.003 . 1 . . . . 168 Glu H . 17643 1 856 . 1 1 168 168 GLU C C 13 178.653 0.010 . 1 . . . . 168 Glu C . 17643 1 857 . 1 1 168 168 GLU CA C 13 59.918 0.053 . 1 . . . . 168 Glu CA . 17643 1 858 . 1 1 168 168 GLU CB C 13 28.681 0.100 . 1 . . . . 168 Glu CB . 17643 1 859 . 1 1 168 168 GLU N N 15 122.739 0.049 . 1 . . . . 168 Glu N . 17643 1 860 . 1 1 169 169 GLU H H 1 8.822 0.010 . 1 . . . . 169 Glu H . 17643 1 861 . 1 1 169 169 GLU C C 13 179.818 0.009 . 1 . . . . 169 Glu C . 17643 1 862 . 1 1 169 169 GLU CA C 13 59.621 0.019 . 1 . . . . 169 Glu CA . 17643 1 863 . 1 1 169 169 GLU CB C 13 28.230 0.047 . 1 . . . . 169 Glu CB . 17643 1 864 . 1 1 169 169 GLU N N 15 118.203 0.047 . 1 . . . . 169 Glu N . 17643 1 865 . 1 1 170 170 ARG H H 1 7.884 0.008 . 1 . . . . 170 Arg H . 17643 1 866 . 1 1 170 170 ARG C C 13 178.715 0.007 . 1 . . . . 170 Arg C . 17643 1 867 . 1 1 170 170 ARG CA C 13 58.845 0.062 . 1 . . . . 170 Arg CA . 17643 1 868 . 1 1 170 170 ARG CB C 13 29.408 0.030 . 1 . . . . 170 Arg CB . 17643 1 869 . 1 1 170 170 ARG N N 15 121.736 0.051 . 1 . . . . 170 Arg N . 17643 1 870 . 1 1 171 171 PHE H H 1 9.042 0.004 . 1 . . . . 171 Phe H . 17643 1 871 . 1 1 171 171 PHE C C 13 176.561 0.001 . 1 . . . . 171 Phe C . 17643 1 872 . 1 1 171 171 PHE CA C 13 61.934 0.100 . 1 . . . . 171 Phe CA . 17643 1 873 . 1 1 171 171 PHE CB C 13 38.204 0.022 . 1 . . . . 171 Phe CB . 17643 1 874 . 1 1 171 171 PHE N N 15 121.057 0.043 . 1 . . . . 171 Phe N . 17643 1 875 . 1 1 172 172 ASN H H 1 8.451 0.005 . 1 . . . . 172 Asn H . 17643 1 876 . 1 1 172 172 ASN C C 13 178.351 0.019 . 1 . . . . 172 Asn C . 17643 1 877 . 1 1 172 172 ASN CA C 13 55.849 0.050 . 1 . . . . 172 Asn CA . 17643 1 878 . 1 1 172 172 ASN CB C 13 37.106 0.008 . 1 . . . . 172 Asn CB . 17643 1 879 . 1 1 172 172 ASN N N 15 117.326 0.053 . 1 . . . . 172 Asn N . 17643 1 880 . 1 1 173 173 SER H H 1 7.772 0.006 . 1 . . . . 173 Ser H . 17643 1 881 . 1 1 173 173 SER C C 13 176.970 0.100 . 1 . . . . 173 Ser C . 17643 1 882 . 1 1 173 173 SER CA C 13 61.512 0.019 . 1 . . . . 173 Ser CA . 17643 1 883 . 1 1 173 173 SER CB C 13 62.509 0.089 . 1 . . . . 173 Ser CB . 17643 1 884 . 1 1 173 173 SER N N 15 117.294 0.055 . 1 . . . . 173 Ser N . 17643 1 885 . 1 1 174 174 ILE H H 1 8.411 0.010 . 1 . . . . 174 Ile H . 17643 1 886 . 1 1 174 174 ILE HD11 H 1 0.803 0.003 . 1 . . . . 174 Ile HD11 . 17643 1 887 . 1 1 174 174 ILE HD12 H 1 0.803 0.003 . 1 . . . . 174 Ile HD12 . 17643 1 888 . 1 1 174 174 ILE HD13 H 1 0.803 0.003 . 1 . . . . 174 Ile HD13 . 17643 1 889 . 1 1 174 174 ILE C C 13 176.130 0.100 . 1 . . . . 174 Ile C . 17643 1 890 . 1 1 174 174 ILE CA C 13 64.488 0.012 . 1 . . . . 174 Ile CA . 17643 1 891 . 1 1 174 174 ILE CB C 13 37.150 0.132 . 1 . . . . 174 Ile CB . 17643 1 892 . 1 1 174 174 ILE CD1 C 13 14.694 0.067 . 1 . . . . 174 Ile CD1 . 17643 1 893 . 1 1 174 174 ILE N N 15 125.195 0.105 . 1 . . . . 174 Ile N . 17643 1 894 . 1 1 175 175 VAL H H 1 8.266 0.007 . 1 . . . . 175 Val H . 17643 1 895 . 1 1 175 175 VAL HG21 H 1 0.430 0.002 . 1 . . . . 175 Val HG21 . 17643 1 896 . 1 1 175 175 VAL HG22 H 1 0.430 0.002 . 1 . . . . 175 Val HG22 . 17643 1 897 . 1 1 175 175 VAL HG23 H 1 0.430 0.002 . 1 . . . . 175 Val HG23 . 17643 1 898 . 1 1 175 175 VAL C C 13 179.315 0.100 . 1 . . . . 175 Val C . 17643 1 899 . 1 1 175 175 VAL CA C 13 67.038 0.043 . 1 . . . . 175 Val CA . 17643 1 900 . 1 1 175 175 VAL CB C 13 30.872 0.100 . 1 . . . . 175 Val CB . 17643 1 901 . 1 1 175 175 VAL CG2 C 13 23.047 0.043 . 1 . . . . 175 Val CG2 . 17643 1 902 . 1 1 175 175 VAL N N 15 119.724 0.040 . 1 . . . . 175 Val N . 17643 1 903 . 1 1 176 176 CYS H H 1 8.020 0.006 . 1 . . . . 176 Cys H . 17643 1 904 . 1 1 176 176 CYS C C 13 177.038 0.006 . 1 . . . . 176 Cys C . 17643 1 905 . 1 1 176 176 CYS CA C 13 58.857 0.025 . 1 . . . . 176 Cys CA . 17643 1 906 . 1 1 176 176 CYS CB C 13 39.526 0.015 . 1 . . . . 176 Cys CB . 17643 1 907 . 1 1 176 176 CYS N N 15 120.543 0.049 . 1 . . . . 176 Cys N . 17643 1 908 . 1 1 177 177 THR H H 1 8.543 0.004 . 1 . . . . 177 Thr H . 17643 1 909 . 1 1 177 177 THR C C 13 176.954 0.100 . 1 . . . . 177 Thr C . 17643 1 910 . 1 1 177 177 THR CA C 13 66.664 0.033 . 1 . . . . 177 Thr CA . 17643 1 911 . 1 1 177 177 THR CB C 13 67.967 0.030 . 1 . . . . 177 Thr CB . 17643 1 912 . 1 1 177 177 THR N N 15 119.724 0.043 . 1 . . . . 177 Thr N . 17643 1 913 . 1 1 178 178 LEU H H 1 9.221 0.005 . 1 . . . . 178 Leu H . 17643 1 914 . 1 1 178 178 LEU C C 13 178.722 0.008 . 1 . . . . 178 Leu C . 17643 1 915 . 1 1 178 178 LEU CA C 13 57.618 0.004 . 1 . . . . 178 Leu CA . 17643 1 916 . 1 1 178 178 LEU CB C 13 41.212 0.086 . 1 . . . . 178 Leu CB . 17643 1 917 . 1 1 178 178 LEU N N 15 121.071 0.040 . 1 . . . . 178 Leu N . 17643 1 918 . 1 1 179 179 THR H H 1 8.220 0.006 . 1 . . . . 179 Thr H . 17643 1 919 . 1 1 179 179 THR HG21 H 1 5.074 0.002 . 1 . . . . 179 Thr HG1 . 17643 1 920 . 1 1 179 179 THR HG22 H 1 5.074 0.002 . 1 . . . . 179 Thr HG1 . 17643 1 921 . 1 1 179 179 THR HG23 H 1 5.074 0.002 . 1 . . . . 179 Thr HG1 . 17643 1 922 . 1 1 179 179 THR C C 13 176.663 0.100 . 1 . . . . 179 Thr C . 17643 1 923 . 1 1 179 179 THR CA C 13 66.392 0.037 . 1 . . . . 179 Thr CA . 17643 1 924 . 1 1 179 179 THR CB C 13 68.221 0.072 . 1 . . . . 179 Thr CB . 17643 1 925 . 1 1 179 179 THR N N 15 113.585 0.081 . 1 . . . . 179 Thr N . 17643 1 926 . 1 1 180 180 ASN H H 1 7.452 0.004 . 1 . . . . 180 Asn H . 17643 1 927 . 1 1 180 180 ASN C C 13 178.011 0.014 . 1 . . . . 180 Asn C . 17643 1 928 . 1 1 180 180 ASN CA C 13 56.079 0.100 . 1 . . . . 180 Asn CA . 17643 1 929 . 1 1 180 180 ASN CB C 13 38.419 0.008 . 1 . . . . 180 Asn CB . 17643 1 930 . 1 1 180 180 ASN N N 15 120.175 0.038 . 1 . . . . 180 Asn N . 17643 1 931 . 1 1 181 181 ILE H H 1 8.449 0.008 . 1 . . . . 181 Ile H . 17643 1 932 . 1 1 181 181 ILE C C 13 178.898 0.100 . 1 . . . . 181 Ile C . 17643 1 933 . 1 1 181 181 ILE CA C 13 64.268 0.100 . 1 . . . . 181 Ile CA . 17643 1 934 . 1 1 181 181 ILE CB C 13 38.099 0.103 . 1 . . . . 181 Ile CB . 17643 1 935 . 1 1 181 181 ILE N N 15 121.786 0.073 . 1 . . . . 181 Ile N . 17643 1 936 . 1 1 182 182 LEU H H 1 8.718 0.005 . 1 . . . . 182 Leu H . 17643 1 937 . 1 1 182 182 LEU C C 13 179.412 0.030 . 1 . . . . 182 Leu C . 17643 1 938 . 1 1 182 182 LEU CA C 13 56.388 0.084 . 1 . . . . 182 Leu CA . 17643 1 939 . 1 1 182 182 LEU CB C 13 40.134 0.028 . 1 . . . . 182 Leu CB . 17643 1 940 . 1 1 182 182 LEU N N 15 120.437 0.034 . 1 . . . . 182 Leu N . 17643 1 941 . 1 1 183 183 SER H H 1 7.650 0.004 . 1 . . . . 183 Ser H . 17643 1 942 . 1 1 183 183 SER C C 13 175.571 0.002 . 1 . . . . 183 Ser C . 17643 1 943 . 1 1 183 183 SER CA C 13 60.585 0.035 . 1 . . . . 183 Ser CA . 17643 1 944 . 1 1 183 183 SER CB C 13 62.559 0.021 . 1 . . . . 183 Ser CB . 17643 1 945 . 1 1 183 183 SER N N 15 114.034 0.064 . 1 . . . . 183 Ser N . 17643 1 946 . 1 1 184 184 THR H H 1 7.465 0.011 . 1 . . . . 184 Thr H . 17643 1 947 . 1 1 184 184 THR C C 13 175.383 0.005 . 1 . . . . 184 Thr C . 17643 1 948 . 1 1 184 184 THR CA C 13 62.904 0.067 . 1 . . . . 184 Thr CA . 17643 1 949 . 1 1 184 184 THR CB C 13 69.164 0.043 . 1 . . . . 184 Thr CB . 17643 1 950 . 1 1 184 184 THR N N 15 113.057 0.035 . 1 . . . . 184 Thr N . 17643 1 951 . 1 1 185 185 SER H H 1 8.308 0.011 . 1 . . . . 185 Ser H . 17643 1 952 . 1 1 185 185 SER C C 13 174.576 0.008 . 1 . . . . 185 Ser C . 17643 1 953 . 1 1 185 185 SER CA C 13 58.702 0.009 . 1 . . . . 185 Ser CA . 17643 1 954 . 1 1 185 185 SER CB C 13 62.705 0.018 . 1 . . . . 185 Ser CB . 17643 1 955 . 1 1 185 185 SER N N 15 119.117 0.021 . 1 . . . . 185 Ser N . 17643 1 956 . 1 1 186 186 LYS H H 1 8.337 0.003 . 1 . . . . 186 Lys H . 17643 1 957 . 1 1 186 186 LYS C C 13 176.308 0.003 . 1 . . . . 186 Lys C . 17643 1 958 . 1 1 186 186 LYS CA C 13 55.941 0.028 . 1 . . . . 186 Lys CA . 17643 1 959 . 1 1 186 186 LYS CB C 13 29.771 0.002 . 1 . . . . 186 Lys CB . 17643 1 960 . 1 1 186 186 LYS N N 15 121.419 0.040 . 1 . . . . 186 Lys N . 17643 1 961 . 1 1 187 187 ASP H H 1 7.585 0.008 . 1 . . . . 187 Asp H . 17643 1 962 . 1 1 187 187 ASP C C 13 175.692 0.100 . 1 . . . . 187 Asp C . 17643 1 963 . 1 1 187 187 ASP CA C 13 55.105 0.100 . 1 . . . . 187 Asp CA . 17643 1 964 . 1 1 187 187 ASP CB C 13 40.202 0.100 . 1 . . . . 187 Asp CB . 17643 1 965 . 1 1 187 187 ASP N N 15 121.304 0.079 . 1 . . . . 187 Asp N . 17643 1 966 . 1 1 188 188 ASP C C 13 176.850 0.100 . 1 . . . . 188 Asp C . 17643 1 967 . 1 1 188 188 ASP CA C 13 55.742 0.100 . 1 . . . . 188 Asp CA . 17643 1 968 . 1 1 188 188 ASP CB C 13 42.126 0.100 . 1 . . . . 188 Asp CB . 17643 1 969 . 1 1 189 189 TYR H H 1 8.365 0.008 . 1 . . . . 189 Tyr H . 17643 1 970 . 1 1 189 189 TYR C C 13 173.602 0.022 . 1 . . . . 189 Tyr C . 17643 1 971 . 1 1 189 189 TYR CA C 13 56.697 0.047 . 1 . . . . 189 Tyr CA . 17643 1 972 . 1 1 189 189 TYR CB C 13 41.837 0.020 . 1 . . . . 189 Tyr CB . 17643 1 973 . 1 1 189 189 TYR N N 15 116.975 0.045 . 1 . . . . 189 Tyr N . 17643 1 974 . 1 1 190 190 LEU H H 1 8.452 0.005 . 1 . . . . 190 Leu H . 17643 1 975 . 1 1 190 190 LEU HD21 H 1 0.673 0.005 . 1 . . . . 190 Leu HD21 . 17643 1 976 . 1 1 190 190 LEU HD22 H 1 0.673 0.005 . 1 . . . . 190 Leu HD22 . 17643 1 977 . 1 1 190 190 LEU HD23 H 1 0.673 0.005 . 1 . . . . 190 Leu HD23 . 17643 1 978 . 1 1 190 190 LEU C C 13 174.414 0.019 . 1 . . . . 190 Leu C . 17643 1 979 . 1 1 190 190 LEU CA C 13 52.701 0.051 . 1 . . . . 190 Leu CA . 17643 1 980 . 1 1 190 190 LEU CB C 13 43.598 0.337 . 1 . . . . 190 Leu CB . 17643 1 981 . 1 1 190 190 LEU CD2 C 13 21.999 0.027 . 1 . . . . 190 Leu CD2 . 17643 1 982 . 1 1 190 190 LEU N N 15 123.966 0.046 . 1 . . . . 190 Leu N . 17643 1 983 . 1 1 191 191 ILE H H 1 9.031 0.004 . 1 . . . . 191 Ile H . 17643 1 984 . 1 1 191 191 ILE HD11 H 1 0.587 0.005 . 1 . . . . 191 Ile HD11 . 17643 1 985 . 1 1 191 191 ILE HD12 H 1 0.587 0.005 . 1 . . . . 191 Ile HD12 . 17643 1 986 . 1 1 191 191 ILE HD13 H 1 0.587 0.005 . 1 . . . . 191 Ile HD13 . 17643 1 987 . 1 1 191 191 ILE C C 13 175.537 0.004 . 1 . . . . 191 Ile C . 17643 1 988 . 1 1 191 191 ILE CA C 13 59.143 0.041 . 1 . . . . 191 Ile CA . 17643 1 989 . 1 1 191 191 ILE CB C 13 38.451 0.185 . 1 . . . . 191 Ile CB . 17643 1 990 . 1 1 191 191 ILE CD1 C 13 14.953 0.045 . 1 . . . . 191 Ile CD1 . 17643 1 991 . 1 1 191 191 ILE N N 15 127.151 0.046 . 1 . . . . 191 Ile N . 17643 1 992 . 1 1 192 192 ILE H H 1 9.340 0.007 . 1 . . . . 192 Ile H . 17643 1 993 . 1 1 192 192 ILE C C 13 173.689 0.006 . 1 . . . . 192 Ile C . 17643 1 994 . 1 1 192 192 ILE CA C 13 59.410 0.100 . 1 . . . . 192 Ile CA . 17643 1 995 . 1 1 192 192 ILE CB C 13 38.460 0.046 . 1 . . . . 192 Ile CB . 17643 1 996 . 1 1 192 192 ILE N N 15 127.806 0.064 . 1 . . . . 192 Ile N . 17643 1 997 . 1 1 193 193 ASP H H 1 8.171 0.004 . 1 . . . . 193 Asp H . 17643 1 998 . 1 1 193 193 ASP C C 13 176.511 0.005 . 1 . . . . 193 Asp C . 17643 1 999 . 1 1 193 193 ASP CA C 13 52.406 0.084 . 1 . . . . 193 Asp CA . 17643 1 1000 . 1 1 193 193 ASP CB C 13 43.721 0.038 . 1 . . . . 193 Asp CB . 17643 1 1001 . 1 1 193 193 ASP N N 15 126.075 0.036 . 1 . . . . 193 Asp N . 17643 1 1002 . 1 1 194 194 LEU H H 1 8.879 0.003 . 1 . . . . 194 Leu H . 17643 1 1003 . 1 1 194 194 LEU HD21 H 1 0.759 0.004 . 1 . . . . 194 Leu HD21 . 17643 1 1004 . 1 1 194 194 LEU HD22 H 1 0.759 0.004 . 1 . . . . 194 Leu HD22 . 17643 1 1005 . 1 1 194 194 LEU HD23 H 1 0.759 0.004 . 1 . . . . 194 Leu HD23 . 17643 1 1006 . 1 1 194 194 LEU C C 13 178.596 0.100 . 1 . . . . 194 Leu C . 17643 1 1007 . 1 1 194 194 LEU CA C 13 53.785 0.171 . 1 . . . . 194 Leu CA . 17643 1 1008 . 1 1 194 194 LEU CB C 13 40.834 0.035 . 1 . . . . 194 Leu CB . 17643 1 1009 . 1 1 194 194 LEU CD2 C 13 25.080 0.046 . 1 . . . . 194 Leu CD2 . 17643 1 1010 . 1 1 194 194 LEU N N 15 124.875 0.039 . 1 . . . . 194 Leu N . 17643 1 1011 . 1 1 195 195 SER H H 1 8.369 0.004 . 1 . . . . 195 Ser H . 17643 1 1012 . 1 1 195 195 SER C C 13 176.209 0.100 . 1 . . . . 195 Ser C . 17643 1 1013 . 1 1 195 195 SER CA C 13 62.301 0.035 . 1 . . . . 195 Ser CA . 17643 1 1014 . 1 1 195 195 SER CB C 13 63.245 0.016 . 1 . . . . 195 Ser CB . 17643 1 1015 . 1 1 195 195 SER N N 15 119.268 0.092 . 1 . . . . 195 Ser N . 17643 1 1016 . 1 1 196 196 GLY H H 1 9.040 0.007 . 1 . . . . 196 Gly H . 17643 1 1017 . 1 1 196 196 GLY C C 13 175.186 0.005 . 1 . . . . 196 Gly C . 17643 1 1018 . 1 1 196 196 GLY CA C 13 44.539 0.024 . 1 . . . . 196 Gly CA . 17643 1 1019 . 1 1 196 196 GLY N N 15 109.524 0.049 . 1 . . . . 196 Gly N . 17643 1 1020 . 1 1 197 197 LEU H H 1 7.530 0.006 . 1 . . . . 197 Leu H . 17643 1 1021 . 1 1 197 197 LEU C C 13 177.757 0.005 . 1 . . . . 197 Leu C . 17643 1 1022 . 1 1 197 197 LEU CA C 13 55.052 0.007 . 1 . . . . 197 Leu CA . 17643 1 1023 . 1 1 197 197 LEU CB C 13 41.624 0.004 . 1 . . . . 197 Leu CB . 17643 1 1024 . 1 1 197 197 LEU N N 15 125.136 0.025 . 1 . . . . 197 Leu N . 17643 1 1025 . 1 1 198 198 ALA H H 1 8.829 0.008 . 1 . . . . 198 Ala H . 17643 1 1026 . 1 1 198 198 ALA C C 13 177.756 0.100 . 1 . . . . 198 Ala C . 17643 1 1027 . 1 1 198 198 ALA CA C 13 53.319 0.039 . 1 . . . . 198 Ala CA . 17643 1 1028 . 1 1 198 198 ALA CB C 13 18.552 0.006 . 1 . . . . 198 Ala CB . 17643 1 1029 . 1 1 198 198 ALA N N 15 128.872 0.046 . 1 . . . . 198 Ala N . 17643 1 1030 . 1 1 199 199 GLN H H 1 7.553 0.006 . 1 . . . . 199 Gln H . 17643 1 1031 . 1 1 199 199 GLN C C 13 174.486 0.005 . 1 . . . . 199 Gln C . 17643 1 1032 . 1 1 199 199 GLN CA C 13 54.972 0.037 . 1 . . . . 199 Gln CA . 17643 1 1033 . 1 1 199 199 GLN CB C 13 30.188 0.001 . 1 . . . . 199 Gln CB . 17643 1 1034 . 1 1 199 199 GLN N N 15 114.937 0.063 . 1 . . . . 199 Gln N . 17643 1 1035 . 1 1 200 200 VAL H H 1 8.293 0.003 . 1 . . . . 200 Val H . 17643 1 1036 . 1 1 200 200 VAL C C 13 174.966 0.017 . 1 . . . . 200 Val C . 17643 1 1037 . 1 1 200 200 VAL CA C 13 60.742 0.075 . 1 . . . . 200 Val CA . 17643 1 1038 . 1 1 200 200 VAL CB C 13 32.650 0.001 . 1 . . . . 200 Val CB . 17643 1 1039 . 1 1 200 200 VAL N N 15 119.379 0.045 . 1 . . . . 200 Val N . 17643 1 1040 . 1 1 201 201 ASN H H 1 8.386 0.006 . 1 . . . . 201 Asn H . 17643 1 1041 . 1 1 201 201 ASN C C 13 175.533 0.003 . 1 . . . . 201 Asn C . 17643 1 1042 . 1 1 201 201 ASN CA C 13 51.740 0.029 . 1 . . . . 201 Asn CA . 17643 1 1043 . 1 1 201 201 ASN CB C 13 39.065 0.016 . 1 . . . . 201 Asn CB . 17643 1 1044 . 1 1 201 201 ASN N N 15 122.764 0.039 . 1 . . . . 201 Asn N . 17643 1 1045 . 1 1 202 202 GLU H H 1 9.210 0.004 . 1 . . . . 202 Glu H . 17643 1 1046 . 1 1 202 202 GLU C C 13 178.264 0.034 . 1 . . . . 202 Glu C . 17643 1 1047 . 1 1 202 202 GLU CA C 13 59.708 0.076 . 1 . . . . 202 Glu CA . 17643 1 1048 . 1 1 202 202 GLU CB C 13 28.258 0.030 . 1 . . . . 202 Glu CB . 17643 1 1049 . 1 1 202 202 GLU N N 15 119.797 0.050 . 1 . . . . 202 Glu N . 17643 1 1050 . 1 1 203 203 GLN H H 1 8.346 0.004 . 1 . . . . 203 Gln H . 17643 1 1051 . 1 1 203 203 GLN C C 13 177.553 0.001 . 1 . . . . 203 Gln C . 17643 1 1052 . 1 1 203 203 GLN CA C 13 57.823 0.061 . 1 . . . . 203 Gln CA . 17643 1 1053 . 1 1 203 203 GLN CB C 13 27.694 0.062 . 1 . . . . 203 Gln CB . 17643 1 1054 . 1 1 203 203 GLN N N 15 119.250 0.048 . 1 . . . . 203 Gln N . 17643 1 1055 . 1 1 204 204 THR H H 1 7.780 0.005 . 1 . . . . 204 Thr H . 17643 1 1056 . 1 1 204 204 THR HG21 H 1 5.874 0.006 . 1 . . . . 204 Thr HG1 . 17643 1 1057 . 1 1 204 204 THR HG22 H 1 5.874 0.006 . 1 . . . . 204 Thr HG1 . 17643 1 1058 . 1 1 204 204 THR HG23 H 1 5.874 0.006 . 1 . . . . 204 Thr HG1 . 17643 1 1059 . 1 1 204 204 THR C C 13 176.379 0.100 . 1 . . . . 204 Thr C . 17643 1 1060 . 1 1 204 204 THR CA C 13 65.708 0.084 . 1 . . . . 204 Thr CA . 17643 1 1061 . 1 1 204 204 THR CB C 13 67.882 0.050 . 1 . . . . 204 Thr CB . 17643 1 1062 . 1 1 204 204 THR N N 15 118.065 0.035 . 1 . . . . 204 Thr N . 17643 1 1063 . 1 1 205 205 ALA H H 1 8.023 0.008 . 1 . . . . 205 Ala H . 17643 1 1064 . 1 1 205 205 ALA C C 13 178.181 0.018 . 1 . . . . 205 Ala C . 17643 1 1065 . 1 1 205 205 ALA CA C 13 55.202 0.019 . 1 . . . . 205 Ala CA . 17643 1 1066 . 1 1 205 205 ALA CB C 13 17.315 0.004 . 1 . . . . 205 Ala CB . 17643 1 1067 . 1 1 205 205 ALA N N 15 121.973 0.054 . 1 . . . . 205 Ala N . 17643 1 1068 . 1 1 206 206 ASP H H 1 7.704 0.004 . 1 . . . . 206 Asp H . 17643 1 1069 . 1 1 206 206 ASP C C 13 179.004 0.011 . 1 . . . . 206 Asp C . 17643 1 1070 . 1 1 206 206 ASP CA C 13 57.171 0.052 . 1 . . . . 206 Asp CA . 17643 1 1071 . 1 1 206 206 ASP CB C 13 40.818 0.013 . 1 . . . . 206 Asp CB . 17643 1 1072 . 1 1 206 206 ASP N N 15 117.706 0.071 . 1 . . . . 206 Asp N . 17643 1 1073 . 1 1 207 207 GLN H H 1 8.018 0.006 . 1 . . . . 207 Gln H . 17643 1 1074 . 1 1 207 207 GLN C C 13 178.526 0.027 . 1 . . . . 207 Gln C . 17643 1 1075 . 1 1 207 207 GLN CA C 13 58.579 0.010 . 1 . . . . 207 Gln CA . 17643 1 1076 . 1 1 207 207 GLN CB C 13 27.093 0.001 . 1 . . . . 207 Gln CB . 17643 1 1077 . 1 1 207 207 GLN N N 15 119.220 0.039 . 1 . . . . 207 Gln N . 17643 1 1078 . 1 1 208 208 ILE H H 1 8.163 0.005 . 1 . . . . 208 Ile H . 17643 1 1079 . 1 1 208 208 ILE HD11 H 1 0.698 0.002 . 1 . . . . 208 Ile HD11 . 17643 1 1080 . 1 1 208 208 ILE HD12 H 1 0.698 0.002 . 1 . . . . 208 Ile HD12 . 17643 1 1081 . 1 1 208 208 ILE HD13 H 1 0.698 0.002 . 1 . . . . 208 Ile HD13 . 17643 1 1082 . 1 1 208 208 ILE C C 13 178.581 0.100 . 1 . . . . 208 Ile C . 17643 1 1083 . 1 1 208 208 ILE CA C 13 63.454 0.358 . 1 . . . . 208 Ile CA . 17643 1 1084 . 1 1 208 208 ILE CB C 13 34.752 0.062 . 1 . . . . 208 Ile CB . 17643 1 1085 . 1 1 208 208 ILE CD1 C 13 10.777 0.054 . 1 . . . . 208 Ile CD1 . 17643 1 1086 . 1 1 208 208 ILE N N 15 119.353 0.035 . 1 . . . . 208 Ile N . 17643 1 1087 . 1 1 209 209 PHE H H 1 8.428 0.006 . 1 . . . . 209 Phe H . 17643 1 1088 . 1 1 209 209 PHE C C 13 179.433 0.027 . 1 . . . . 209 Phe C . 17643 1 1089 . 1 1 209 209 PHE CA C 13 61.100 0.001 . 1 . . . . 209 Phe CA . 17643 1 1090 . 1 1 209 209 PHE CB C 13 37.651 0.029 . 1 . . . . 209 Phe CB . 17643 1 1091 . 1 1 209 209 PHE N N 15 120.925 0.062 . 1 . . . . 209 Phe N . 17643 1 1092 . 1 1 210 210 LYS H H 1 8.615 0.005 . 1 . . . . 210 Lys H . 17643 1 1093 . 1 1 210 210 LYS C C 13 180.145 0.015 . 1 . . . . 210 Lys C . 17643 1 1094 . 1 1 210 210 LYS CA C 13 59.939 0.073 . 1 . . . . 210 Lys CA . 17643 1 1095 . 1 1 210 210 LYS CB C 13 31.731 0.007 . 1 . . . . 210 Lys CB . 17643 1 1096 . 1 1 210 210 LYS N N 15 122.094 0.081 . 1 . . . . 210 Lys N . 17643 1 1097 . 1 1 211 211 LEU H H 1 8.546 0.007 . 1 . . . . 211 Leu H . 17643 1 1098 . 1 1 211 211 LEU HD11 H 1 0.737 0.004 . 2 . . . . 211 Leu HD11 . 17643 1 1099 . 1 1 211 211 LEU HD12 H 1 0.737 0.004 . 2 . . . . 211 Leu HD12 . 17643 1 1100 . 1 1 211 211 LEU HD13 H 1 0.737 0.004 . 2 . . . . 211 Leu HD13 . 17643 1 1101 . 1 1 211 211 LEU HD21 H 1 0.670 0.002 . 2 . . . . 211 Leu HD21 . 17643 1 1102 . 1 1 211 211 LEU HD22 H 1 0.670 0.002 . 2 . . . . 211 Leu HD22 . 17643 1 1103 . 1 1 211 211 LEU HD23 H 1 0.670 0.002 . 2 . . . . 211 Leu HD23 . 17643 1 1104 . 1 1 211 211 LEU C C 13 178.327 0.010 . 1 . . . . 211 Leu C . 17643 1 1105 . 1 1 211 211 LEU CA C 13 57.606 0.159 . 1 . . . . 211 Leu CA . 17643 1 1106 . 1 1 211 211 LEU CB C 13 40.814 0.122 . 1 . . . . 211 Leu CB . 17643 1 1107 . 1 1 211 211 LEU CD1 C 13 23.980 0.047 . 2 . . . . 211 Leu CD1 . 17643 1 1108 . 1 1 211 211 LEU CD2 C 13 25.321 0.150 . 2 . . . . 211 Leu CD2 . 17643 1 1109 . 1 1 211 211 LEU N N 15 121.464 0.057 . 1 . . . . 211 Leu N . 17643 1 1110 . 1 1 212 212 SER H H 1 8.432 0.010 . 1 . . . . 212 Ser H . 17643 1 1111 . 1 1 212 212 SER C C 13 177.157 0.100 . 1 . . . . 212 Ser C . 17643 1 1112 . 1 1 212 212 SER CA C 13 61.290 0.100 . 1 . . . . 212 Ser CA . 17643 1 1113 . 1 1 212 212 SER CB C 13 62.445 0.069 . 1 . . . . 212 Ser CB . 17643 1 1114 . 1 1 212 212 SER N N 15 114.201 0.055 . 1 . . . . 212 Ser N . 17643 1 1115 . 1 1 213 213 HIS H H 1 7.877 0.011 . 1 . . . . 213 His H . 17643 1 1116 . 1 1 213 213 HIS C C 13 177.311 0.100 . 1 . . . . 213 His C . 17643 1 1117 . 1 1 213 213 HIS CA C 13 58.739 0.035 . 1 . . . . 213 His CA . 17643 1 1118 . 1 1 213 213 HIS CB C 13 29.105 0.088 . 1 . . . . 213 His CB . 17643 1 1119 . 1 1 213 213 HIS N N 15 120.787 0.036 . 1 . . . . 213 His N . 17643 1 1120 . 1 1 214 214 LEU H H 1 8.126 0.014 . 1 . . . . 214 Leu H . 17643 1 1121 . 1 1 214 214 LEU C C 13 179.987 0.005 . 1 . . . . 214 Leu C . 17643 1 1122 . 1 1 214 214 LEU CA C 13 57.518 0.001 . 1 . . . . 214 Leu CA . 17643 1 1123 . 1 1 214 214 LEU CB C 13 41.280 0.053 . 1 . . . . 214 Leu CB . 17643 1 1124 . 1 1 214 214 LEU N N 15 121.103 0.073 . 1 . . . . 214 Leu N . 17643 1 1125 . 1 1 215 215 LEU H H 1 8.202 0.005 . 1 . . . . 215 Leu H . 17643 1 1126 . 1 1 215 215 LEU HD21 H 1 0.690 0.004 . 1 . . . . 215 Leu HD21 . 17643 1 1127 . 1 1 215 215 LEU HD22 H 1 0.690 0.004 . 1 . . . . 215 Leu HD22 . 17643 1 1128 . 1 1 215 215 LEU HD23 H 1 0.690 0.004 . 1 . . . . 215 Leu HD23 . 17643 1 1129 . 1 1 215 215 LEU C C 13 179.360 0.004 . 1 . . . . 215 Leu C . 17643 1 1130 . 1 1 215 215 LEU CA C 13 56.926 0.141 . 1 . . . . 215 Leu CA . 17643 1 1131 . 1 1 215 215 LEU CB C 13 39.193 0.060 . 1 . . . . 215 Leu CB . 17643 1 1132 . 1 1 215 215 LEU CD2 C 13 26.810 0.036 . 1 . . . . 215 Leu CD2 . 17643 1 1133 . 1 1 215 215 LEU N N 15 119.586 0.040 . 1 . . . . 215 Leu N . 17643 1 1134 . 1 1 216 216 LYS H H 1 7.760 0.009 . 1 . . . . 216 Lys H . 17643 1 1135 . 1 1 216 216 LYS C C 13 179.937 0.004 . 1 . . . . 216 Lys C . 17643 1 1136 . 1 1 216 216 LYS CA C 13 58.357 0.100 . 1 . . . . 216 Lys CA . 17643 1 1137 . 1 1 216 216 LYS CB C 13 31.049 0.022 . 1 . . . . 216 Lys CB . 17643 1 1138 . 1 1 216 216 LYS N N 15 121.146 0.052 . 1 . . . . 216 Lys N . 17643 1 1139 . 1 1 217 217 LEU H H 1 7.577 0.008 . 1 . . . . 217 Leu H . 17643 1 1140 . 1 1 217 217 LEU C C 13 178.905 0.008 . 1 . . . . 217 Leu C . 17643 1 1141 . 1 1 217 217 LEU CA C 13 56.836 0.008 . 1 . . . . 217 Leu CA . 17643 1 1142 . 1 1 217 217 LEU CB C 13 40.732 0.039 . 1 . . . . 217 Leu CB . 17643 1 1143 . 1 1 217 217 LEU N N 15 119.082 0.060 . 1 . . . . 217 Leu N . 17643 1 1144 . 1 1 218 218 THR H H 1 7.594 0.003 . 1 . . . . 218 Thr H . 17643 1 1145 . 1 1 218 218 THR C C 13 175.090 0.100 . 1 . . . . 218 Thr C . 17643 1 1146 . 1 1 218 218 THR CA C 13 61.369 0.042 . 1 . . . . 218 Thr CA . 17643 1 1147 . 1 1 218 218 THR CB C 13 69.232 0.029 . 1 . . . . 218 Thr CB . 17643 1 1148 . 1 1 218 218 THR N N 15 109.162 0.067 . 1 . . . . 218 Thr N . 17643 1 1149 . 1 1 219 219 GLY H H 1 7.832 0.004 . 1 . . . . 219 Gly H . 17643 1 1150 . 1 1 219 219 GLY C C 13 173.986 0.001 . 1 . . . . 219 Gly C . 17643 1 1151 . 1 1 219 219 GLY CA C 13 45.505 0.050 . 1 . . . . 219 Gly CA . 17643 1 1152 . 1 1 219 219 GLY N N 15 109.836 0.065 . 1 . . . . 219 Gly N . 17643 1 1153 . 1 1 220 220 THR H H 1 7.879 0.004 . 1 . . . . 220 Thr H . 17643 1 1154 . 1 1 220 220 THR C C 13 172.824 0.100 . 1 . . . . 220 Thr C . 17643 1 1155 . 1 1 220 220 THR CA C 13 62.049 0.100 . 1 . . . . 220 Thr CA . 17643 1 1156 . 1 1 220 220 THR CB C 13 69.676 0.009 . 1 . . . . 220 Thr CB . 17643 1 1157 . 1 1 220 220 THR N N 15 120.701 0.033 . 1 . . . . 220 Thr N . 17643 1 1158 . 1 1 221 221 GLU H H 1 8.203 0.004 . 1 . . . . 221 Glu H . 17643 1 1159 . 1 1 221 221 GLU C C 13 174.532 0.024 . 1 . . . . 221 Glu C . 17643 1 1160 . 1 1 221 221 GLU CA C 13 55.377 0.053 . 1 . . . . 221 Glu CA . 17643 1 1161 . 1 1 221 221 GLU CB C 13 29.869 0.001 . 1 . . . . 221 Glu CB . 17643 1 1162 . 1 1 221 221 GLU N N 15 128.667 0.058 . 1 . . . . 221 Glu N . 17643 1 1163 . 1 1 222 222 LEU H H 1 8.277 0.005 . 1 . . . . 222 Leu H . 17643 1 1164 . 1 1 222 222 LEU C C 13 174.735 0.002 . 1 . . . . 222 Leu C . 17643 1 1165 . 1 1 222 222 LEU CA C 13 54.024 0.007 . 1 . . . . 222 Leu CA . 17643 1 1166 . 1 1 222 222 LEU CB C 13 42.462 0.049 . 1 . . . . 222 Leu CB . 17643 1 1167 . 1 1 222 222 LEU N N 15 128.808 0.042 . 1 . . . . 222 Leu N . 17643 1 1168 . 1 1 223 223 ILE H H 1 9.024 0.004 . 1 . . . . 223 Ile H . 17643 1 1169 . 1 1 223 223 ILE C C 13 174.659 0.020 . 1 . . . . 223 Ile C . 17643 1 1170 . 1 1 223 223 ILE CA C 13 58.169 0.100 . 1 . . . . 223 Ile CA . 17643 1 1171 . 1 1 223 223 ILE CB C 13 38.655 0.019 . 1 . . . . 223 Ile CB . 17643 1 1172 . 1 1 223 223 ILE N N 15 128.843 0.052 . 1 . . . . 223 Ile N . 17643 1 1173 . 1 1 224 224 ILE H H 1 8.465 0.005 . 1 . . . . 224 Ile H . 17643 1 1174 . 1 1 224 224 ILE C C 13 175.655 0.010 . 1 . . . . 224 Ile C . 17643 1 1175 . 1 1 224 224 ILE CA C 13 58.559 0.100 . 1 . . . . 224 Ile CA . 17643 1 1176 . 1 1 224 224 ILE CB C 13 38.595 0.025 . 1 . . . . 224 Ile CB . 17643 1 1177 . 1 1 224 224 ILE N N 15 126.638 0.043 . 1 . . . . 224 Ile N . 17643 1 1178 . 1 1 225 225 THR H H 1 9.000 0.004 . 1 . . . . 225 Thr H . 17643 1 1179 . 1 1 225 225 THR HG21 H 1 5.379 0.005 . 1 . . . . 225 Thr HG1 . 17643 1 1180 . 1 1 225 225 THR HG22 H 1 5.379 0.005 . 1 . . . . 225 Thr HG1 . 17643 1 1181 . 1 1 225 225 THR HG23 H 1 5.379 0.005 . 1 . . . . 225 Thr HG1 . 17643 1 1182 . 1 1 225 225 THR C C 13 175.732 0.011 . 1 . . . . 225 Thr C . 17643 1 1183 . 1 1 225 225 THR CA C 13 58.990 0.011 . 1 . . . . 225 Thr CA . 17643 1 1184 . 1 1 225 225 THR CB C 13 71.154 0.001 . 1 . . . . 225 Thr CB . 17643 1 1185 . 1 1 225 225 THR N N 15 116.619 0.035 . 1 . . . . 225 Thr N . 17643 1 1186 . 1 1 226 226 GLY H H 1 7.497 0.005 . 1 . . . . 226 Gly H . 17643 1 1187 . 1 1 226 226 GLY C C 13 174.328 0.011 . 1 . . . . 226 Gly C . 17643 1 1188 . 1 1 226 226 GLY CA C 13 47.076 0.018 . 1 . . . . 226 Gly CA . 17643 1 1189 . 1 1 226 226 GLY N N 15 107.672 0.054 . 1 . . . . 226 Gly N . 17643 1 1190 . 1 1 227 227 ILE H H 1 7.930 0.007 . 1 . . . . 227 Ile H . 17643 1 1191 . 1 1 227 227 ILE C C 13 175.932 0.018 . 1 . . . . 227 Ile C . 17643 1 1192 . 1 1 227 227 ILE CA C 13 60.522 0.023 . 1 . . . . 227 Ile CA . 17643 1 1193 . 1 1 227 227 ILE CB C 13 38.174 0.055 . 1 . . . . 227 Ile CB . 17643 1 1194 . 1 1 227 227 ILE N N 15 118.615 0.035 . 1 . . . . 227 Ile N . 17643 1 1195 . 1 1 228 228 LYS H H 1 8.853 0.005 . 1 . . . . 228 Lys H . 17643 1 1196 . 1 1 228 228 LYS C C 13 176.219 0.100 . 1 . . . . 228 Lys C . 17643 1 1197 . 1 1 228 228 LYS CA C 13 54.717 0.100 . 1 . . . . 228 Lys CA . 17643 1 1198 . 1 1 228 228 LYS CB C 13 30.873 0.100 . 1 . . . . 228 Lys CB . 17643 1 1199 . 1 1 228 228 LYS N N 15 131.123 0.039 . 1 . . . . 228 Lys N . 17643 1 1200 . 1 1 229 229 PRO C C 13 178.934 0.100 . 1 . . . . 229 Pro C . 17643 1 1201 . 1 1 229 229 PRO CA C 13 65.774 0.100 . 1 . . . . 229 Pro CA . 17643 1 1202 . 1 1 229 229 PRO CB C 13 31.064 0.100 . 1 . . . . 229 Pro CB . 17643 1 1203 . 1 1 230 230 GLU H H 1 9.432 0.004 . 1 . . . . 230 Glu H . 17643 1 1204 . 1 1 230 230 GLU C C 13 178.943 0.021 . 1 . . . . 230 Glu C . 17643 1 1205 . 1 1 230 230 GLU CA C 13 59.377 0.007 . 1 . . . . 230 Glu CA . 17643 1 1206 . 1 1 230 230 GLU CB C 13 28.174 0.024 . 1 . . . . 230 Glu CB . 17643 1 1207 . 1 1 230 230 GLU N N 15 116.890 0.042 . 1 . . . . 230 Glu N . 17643 1 1208 . 1 1 231 231 LEU H H 1 7.282 0.005 . 1 . . . . 231 Leu H . 17643 1 1209 . 1 1 231 231 LEU C C 13 178.239 0.003 . 1 . . . . 231 Leu C . 17643 1 1210 . 1 1 231 231 LEU CA C 13 56.208 0.085 . 1 . . . . 231 Leu CA . 17643 1 1211 . 1 1 231 231 LEU CB C 13 40.365 0.034 . 1 . . . . 231 Leu CB . 17643 1 1212 . 1 1 231 231 LEU N N 15 120.585 0.044 . 1 . . . . 231 Leu N . 17643 1 1213 . 1 1 232 232 ALA H H 1 8.134 0.005 . 1 . . . . 232 Ala H . 17643 1 1214 . 1 1 232 232 ALA C C 13 179.824 0.012 . 1 . . . . 232 Ala C . 17643 1 1215 . 1 1 232 232 ALA CA C 13 55.141 0.007 . 1 . . . . 232 Ala CA . 17643 1 1216 . 1 1 232 232 ALA CB C 13 16.975 0.005 . 1 . . . . 232 Ala CB . 17643 1 1217 . 1 1 232 232 ALA N N 15 123.735 0.046 . 1 . . . . 232 Ala N . 17643 1 1218 . 1 1 233 233 MET H H 1 8.052 0.006 . 1 . . . . 233 Met H . 17643 1 1219 . 1 1 233 233 MET C C 13 178.754 0.006 . 1 . . . . 233 Met C . 17643 1 1220 . 1 1 233 233 MET CA C 13 58.109 0.090 . 1 . . . . 233 Met CA . 17643 1 1221 . 1 1 233 233 MET CB C 13 31.658 0.007 . 1 . . . . 233 Met CB . 17643 1 1222 . 1 1 233 233 MET N N 15 115.684 0.064 . 1 . . . . 233 Met N . 17643 1 1223 . 1 1 234 234 LYS H H 1 7.273 0.012 . 1 . . . . 234 Lys H . 17643 1 1224 . 1 1 234 234 LYS C C 13 179.110 0.009 . 1 . . . . 234 Lys C . 17643 1 1225 . 1 1 234 234 LYS CA C 13 58.348 0.100 . 1 . . . . 234 Lys CA . 17643 1 1226 . 1 1 234 234 LYS CB C 13 31.729 0.082 . 1 . . . . 234 Lys CB . 17643 1 1227 . 1 1 234 234 LYS N N 15 119.517 0.031 . 1 . . . . 234 Lys N . 17643 1 1228 . 1 1 235 235 MET H H 1 8.170 0.004 . 1 . . . . 235 Met H . 17643 1 1229 . 1 1 235 235 MET C C 13 177.390 0.002 . 1 . . . . 235 Met C . 17643 1 1230 . 1 1 235 235 MET CA C 13 57.880 0.038 . 1 . . . . 235 Met CA . 17643 1 1231 . 1 1 235 235 MET CB C 13 30.881 0.097 . 1 . . . . 235 Met CB . 17643 1 1232 . 1 1 235 235 MET N N 15 118.676 0.055 . 1 . . . . 235 Met N . 17643 1 1233 . 1 1 236 236 ASN H H 1 7.923 0.006 . 1 . . . . 236 Asn H . 17643 1 1234 . 1 1 236 236 ASN C C 13 176.443 0.002 . 1 . . . . 236 Asn C . 17643 1 1235 . 1 1 236 236 ASN CA C 13 54.870 0.026 . 1 . . . . 236 Asn CA . 17643 1 1236 . 1 1 236 236 ASN CB C 13 38.409 0.032 . 1 . . . . 236 Asn CB . 17643 1 1237 . 1 1 236 236 ASN N N 15 117.183 0.039 . 1 . . . . 236 Asn N . 17643 1 1238 . 1 1 237 237 LYS H H 1 7.401 0.007 . 1 . . . . 237 Lys H . 17643 1 1239 . 1 1 237 237 LYS C C 13 177.744 0.007 . 1 . . . . 237 Lys C . 17643 1 1240 . 1 1 237 237 LYS CA C 13 57.052 0.029 . 1 . . . . 237 Lys CA . 17643 1 1241 . 1 1 237 237 LYS CB C 13 31.681 0.007 . 1 . . . . 237 Lys CB . 17643 1 1242 . 1 1 237 237 LYS N N 15 118.001 0.026 . 1 . . . . 237 Lys N . 17643 1 1243 . 1 1 238 238 LEU H H 1 7.538 0.005 . 1 . . . . 238 Leu H . 17643 1 1244 . 1 1 238 238 LEU C C 13 177.322 0.002 . 1 . . . . 238 Leu C . 17643 1 1245 . 1 1 238 238 LEU CA C 13 55.838 0.017 . 1 . . . . 238 Leu CA . 17643 1 1246 . 1 1 238 238 LEU CB C 13 41.726 0.026 . 1 . . . . 238 Leu CB . 17643 1 1247 . 1 1 238 238 LEU N N 15 120.179 0.035 . 1 . . . . 238 Leu N . 17643 1 1248 . 1 1 239 239 ASP H H 1 7.903 0.004 . 1 . . . . 239 Asp H . 17643 1 1249 . 1 1 239 239 ASP C C 13 175.966 0.005 . 1 . . . . 239 Asp C . 17643 1 1250 . 1 1 239 239 ASP CA C 13 53.626 0.015 . 1 . . . . 239 Asp CA . 17643 1 1251 . 1 1 239 239 ASP CB C 13 41.879 0.004 . 1 . . . . 239 Asp CB . 17643 1 1252 . 1 1 239 239 ASP N N 15 118.726 0.037 . 1 . . . . 239 Asp N . 17643 1 1253 . 1 1 240 240 ALA H H 1 8.567 0.005 . 1 . . . . 240 Ala H . 17643 1 1254 . 1 1 240 240 ALA C C 13 178.808 0.005 . 1 . . . . 240 Ala C . 17643 1 1255 . 1 1 240 240 ALA CA C 13 53.608 0.100 . 1 . . . . 240 Ala CA . 17643 1 1256 . 1 1 240 240 ALA CB C 13 17.911 0.023 . 1 . . . . 240 Ala CB . 17643 1 1257 . 1 1 240 240 ALA N N 15 128.124 0.071 . 1 . . . . 240 Ala N . 17643 1 1258 . 1 1 241 241 ASN H H 1 8.721 0.006 . 1 . . . . 241 Asn H . 17643 1 1259 . 1 1 241 241 ASN C C 13 176.900 0.010 . 1 . . . . 241 Asn C . 17643 1 1260 . 1 1 241 241 ASN CA C 13 53.798 0.018 . 1 . . . . 241 Asn CA . 17643 1 1261 . 1 1 241 241 ASN CB C 13 37.929 0.016 . 1 . . . . 241 Asn CB . 17643 1 1262 . 1 1 241 241 ASN N N 15 116.171 0.036 . 1 . . . . 241 Asn N . 17643 1 1263 . 1 1 242 242 PHE H H 1 8.432 0.008 . 1 . . . . 242 Phe H . 17643 1 1264 . 1 1 242 242 PHE C C 13 178.296 0.100 . 1 . . . . 242 Phe C . 17643 1 1265 . 1 1 242 242 PHE CA C 13 60.440 0.057 . 1 . . . . 242 Phe CA . 17643 1 1266 . 1 1 242 242 PHE CB C 13 38.377 0.061 . 1 . . . . 242 Phe CB . 17643 1 1267 . 1 1 242 242 PHE N N 15 123.335 0.047 . 1 . . . . 242 Phe N . 17643 1 1268 . 1 1 243 243 SER H H 1 8.218 0.002 . 1 . . . . 243 Ser H . 17643 1 1269 . 1 1 243 243 SER C C 13 174.999 0.011 . 1 . . . . 243 Ser C . 17643 1 1270 . 1 1 243 243 SER CA C 13 60.002 0.091 . 1 . . . . 243 Ser CA . 17643 1 1271 . 1 1 243 243 SER CB C 13 62.506 0.013 . 1 . . . . 243 Ser CB . 17643 1 1272 . 1 1 243 243 SER N N 15 113.880 0.034 . 1 . . . . 243 Ser N . 17643 1 1273 . 1 1 244 244 SER H H 1 7.912 0.006 . 1 . . . . 244 Ser H . 17643 1 1274 . 1 1 244 244 SER HG H 1 4.415 0.008 . 1 . . . . 244 Ser HG . 17643 1 1275 . 1 1 244 244 SER C C 13 174.524 0.008 . 1 . . . . 244 Ser C . 17643 1 1276 . 1 1 244 244 SER CA C 13 58.805 0.045 . 1 . . . . 244 Ser CA . 17643 1 1277 . 1 1 244 244 SER CB C 13 63.288 0.036 . 1 . . . . 244 Ser CB . 17643 1 1278 . 1 1 244 244 SER N N 15 116.730 0.039 . 1 . . . . 244 Ser N . 17643 1 1279 . 1 1 245 245 LEU H H 1 7.589 0.003 . 1 . . . . 245 Leu H . 17643 1 1280 . 1 1 245 245 LEU C C 13 176.957 0.005 . 1 . . . . 245 Leu C . 17643 1 1281 . 1 1 245 245 LEU CA C 13 54.483 0.056 . 1 . . . . 245 Leu CA . 17643 1 1282 . 1 1 245 245 LEU CB C 13 41.329 0.025 . 1 . . . . 245 Leu CB . 17643 1 1283 . 1 1 245 245 LEU N N 15 124.594 0.048 . 1 . . . . 245 Leu N . 17643 1 1284 . 1 1 246 246 LYS H H 1 9.078 0.008 . 1 . . . . 246 Lys H . 17643 1 1285 . 1 1 246 246 LYS C C 13 175.032 0.002 . 1 . . . . 246 Lys C . 17643 1 1286 . 1 1 246 246 LYS CA C 13 56.487 0.075 . 1 . . . . 246 Lys CA . 17643 1 1287 . 1 1 246 246 LYS CB C 13 31.953 0.001 . 1 . . . . 246 Lys CB . 17643 1 1288 . 1 1 246 246 LYS N N 15 126.609 0.031 . 1 . . . . 246 Lys N . 17643 1 1289 . 1 1 247 247 THR H H 1 7.361 0.005 . 1 . . . . 247 Thr H . 17643 1 1290 . 1 1 247 247 THR C C 13 173.302 0.008 . 1 . . . . 247 Thr C . 17643 1 1291 . 1 1 247 247 THR CA C 13 58.446 0.080 . 1 . . . . 247 Thr CA . 17643 1 1292 . 1 1 247 247 THR CB C 13 71.252 0.005 . 1 . . . . 247 Thr CB . 17643 1 1293 . 1 1 247 247 THR N N 15 113.623 0.071 . 1 . . . . 247 Thr N . 17643 1 1294 . 1 1 248 248 TYR H H 1 8.195 0.005 . 1 . . . . 248 Tyr H . 17643 1 1295 . 1 1 248 248 TYR C C 13 176.971 0.002 . 1 . . . . 248 Tyr C . 17643 1 1296 . 1 1 248 248 TYR CA C 13 56.217 0.007 . 1 . . . . 248 Tyr CA . 17643 1 1297 . 1 1 248 248 TYR CB C 13 42.591 0.006 . 1 . . . . 248 Tyr CB . 17643 1 1298 . 1 1 248 248 TYR N N 15 117.147 0.046 . 1 . . . . 248 Tyr N . 17643 1 1299 . 1 1 249 249 SER H H 1 9.713 0.005 . 1 . . . . 249 Ser H . 17643 1 1300 . 1 1 249 249 SER C C 13 174.961 0.100 . 1 . . . . 249 Ser C . 17643 1 1301 . 1 1 249 249 SER CA C 13 61.677 0.026 . 1 . . . . 249 Ser CA . 17643 1 1302 . 1 1 249 249 SER CB C 13 62.475 0.020 . 1 . . . . 249 Ser CB . 17643 1 1303 . 1 1 249 249 SER N N 15 118.389 0.032 . 1 . . . . 249 Ser N . 17643 1 1304 . 1 1 250 250 ASN H H 1 7.634 0.006 . 1 . . . . 250 Asn H . 17643 1 1305 . 1 1 250 250 ASN C C 13 174.833 0.100 . 1 . . . . 250 Asn C . 17643 1 1306 . 1 1 250 250 ASN CA C 13 51.528 0.044 . 1 . . . . 250 Asn CA . 17643 1 1307 . 1 1 250 250 ASN CB C 13 40.971 0.016 . 1 . . . . 250 Asn CB . 17643 1 1308 . 1 1 250 250 ASN N N 15 113.005 0.049 . 1 . . . . 250 Asn N . 17643 1 1309 . 1 1 251 251 VAL H H 1 8.750 0.006 . 1 . . . . 251 Val H . 17643 1 1310 . 1 1 251 251 VAL HG21 H 1 0.767 0.002 . 1 . . . . 251 Val HG21 . 17643 1 1311 . 1 1 251 251 VAL HG22 H 1 0.767 0.002 . 1 . . . . 251 Val HG22 . 17643 1 1312 . 1 1 251 251 VAL HG23 H 1 0.767 0.002 . 1 . . . . 251 Val HG23 . 17643 1 1313 . 1 1 251 251 VAL C C 13 177.095 0.100 . 1 . . . . 251 Val C . 17643 1 1314 . 1 1 251 251 VAL CA C 13 67.022 0.111 . 1 . . . . 251 Val CA . 17643 1 1315 . 1 1 251 251 VAL CB C 13 31.445 0.106 . 1 . . . . 251 Val CB . 17643 1 1316 . 1 1 251 251 VAL CG2 C 13 21.078 0.047 . 1 . . . . 251 Val CG2 . 17643 1 1317 . 1 1 251 251 VAL N N 15 121.884 0.080 . 1 . . . . 251 Val N . 17643 1 1318 . 1 1 252 252 LYS H H 1 7.862 0.009 . 1 . . . . 252 Lys H . 17643 1 1319 . 1 1 252 252 LYS C C 13 179.637 0.008 . 1 . . . . 252 Lys C . 17643 1 1320 . 1 1 252 252 LYS CA C 13 58.728 0.100 . 1 . . . . 252 Lys CA . 17643 1 1321 . 1 1 252 252 LYS CB C 13 30.834 0.032 . 1 . . . . 252 Lys CB . 17643 1 1322 . 1 1 252 252 LYS N N 15 117.595 0.033 . 1 . . . . 252 Lys N . 17643 1 1323 . 1 1 253 253 ASP H H 1 8.058 0.005 . 1 . . . . 253 Asp H . 17643 1 1324 . 1 1 253 253 ASP C C 13 177.588 0.100 . 1 . . . . 253 Asp C . 17643 1 1325 . 1 1 253 253 ASP CA C 13 56.588 0.081 . 1 . . . . 253 Asp CA . 17643 1 1326 . 1 1 253 253 ASP CB C 13 40.345 0.034 . 1 . . . . 253 Asp CB . 17643 1 1327 . 1 1 253 253 ASP N N 15 120.819 0.036 . 1 . . . . 253 Asp N . 17643 1 1328 . 1 1 254 254 ALA H H 1 6.984 0.003 . 1 . . . . 254 Ala H . 17643 1 1329 . 1 1 254 254 ALA C C 13 178.396 0.022 . 1 . . . . 254 Ala C . 17643 1 1330 . 1 1 254 254 ALA CA C 13 53.464 0.011 . 1 . . . . 254 Ala CA . 17643 1 1331 . 1 1 254 254 ALA CB C 13 18.295 0.005 . 1 . . . . 254 Ala CB . 17643 1 1332 . 1 1 254 254 ALA N N 15 120.864 0.029 . 1 . . . . 254 Ala N . 17643 1 1333 . 1 1 255 255 VAL H H 1 8.131 0.006 . 1 . . . . 255 Val H . 17643 1 1334 . 1 1 255 255 VAL HG21 H 1 0.782 0.006 . 1 . . . . 255 Val HG21 . 17643 1 1335 . 1 1 255 255 VAL HG22 H 1 0.782 0.006 . 1 . . . . 255 Val HG22 . 17643 1 1336 . 1 1 255 255 VAL HG23 H 1 0.782 0.006 . 1 . . . . 255 Val HG23 . 17643 1 1337 . 1 1 255 255 VAL C C 13 177.490 0.100 . 1 . . . . 255 Val C . 17643 1 1338 . 1 1 255 255 VAL CA C 13 65.429 0.126 . 1 . . . . 255 Val CA . 17643 1 1339 . 1 1 255 255 VAL CB C 13 31.102 0.157 . 1 . . . . 255 Val CB . 17643 1 1340 . 1 1 255 255 VAL CG2 C 13 21.284 0.094 . 1 . . . . 255 Val CG2 . 17643 1 1341 . 1 1 255 255 VAL N N 15 115.316 0.029 . 1 . . . . 255 Val N . 17643 1 1342 . 1 1 256 256 LYS H H 1 7.238 0.007 . 1 . . . . 256 Lys H . 17643 1 1343 . 1 1 256 256 LYS C C 13 177.970 0.022 . 1 . . . . 256 Lys C . 17643 1 1344 . 1 1 256 256 LYS CA C 13 58.410 0.082 . 1 . . . . 256 Lys CA . 17643 1 1345 . 1 1 256 256 LYS CB C 13 32.064 0.008 . 1 . . . . 256 Lys CB . 17643 1 1346 . 1 1 256 256 LYS N N 15 117.265 0.048 . 1 . . . . 256 Lys N . 17643 1 1347 . 1 1 257 257 VAL H H 1 6.952 0.007 . 1 . . . . 257 Val H . 17643 1 1348 . 1 1 257 257 VAL HG21 H 1 0.819 0.003 . 1 . . . . 257 Val HG21 . 17643 1 1349 . 1 1 257 257 VAL HG22 H 1 0.819 0.003 . 1 . . . . 257 Val HG22 . 17643 1 1350 . 1 1 257 257 VAL HG23 H 1 0.819 0.003 . 1 . . . . 257 Val HG23 . 17643 1 1351 . 1 1 257 257 VAL C C 13 176.652 0.011 . 1 . . . . 257 Val C . 17643 1 1352 . 1 1 257 257 VAL CA C 13 61.433 0.186 . 1 . . . . 257 Val CA . 17643 1 1353 . 1 1 257 257 VAL CB C 13 31.956 0.095 . 1 . . . . 257 Val CB . 17643 1 1354 . 1 1 257 257 VAL CG2 C 13 19.101 0.067 . 1 . . . . 257 Val CG2 . 17643 1 1355 . 1 1 257 257 VAL N N 15 111.885 0.066 . 1 . . . . 257 Val N . 17643 1 1356 . 1 1 258 258 LEU H H 1 7.204 0.008 . 1 . . . . 258 Leu H . 17643 1 1357 . 1 1 258 258 LEU HD21 H 1 0.194 0.003 . 1 . . . . 258 Leu HD21 . 17643 1 1358 . 1 1 258 258 LEU HD22 H 1 0.194 0.003 . 1 . . . . 258 Leu HD22 . 17643 1 1359 . 1 1 258 258 LEU HD23 H 1 0.194 0.003 . 1 . . . . 258 Leu HD23 . 17643 1 1360 . 1 1 258 258 LEU C C 13 174.636 0.100 . 1 . . . . 258 Leu C . 17643 1 1361 . 1 1 258 258 LEU CA C 13 52.996 0.032 . 1 . . . . 258 Leu CA . 17643 1 1362 . 1 1 258 258 LEU CB C 13 39.409 0.204 . 1 . . . . 258 Leu CB . 17643 1 1363 . 1 1 258 258 LEU CD2 C 13 20.839 0.042 . 1 . . . . 258 Leu CD2 . 17643 1 1364 . 1 1 258 258 LEU N N 15 124.634 0.029 . 1 . . . . 258 Leu N . 17643 1 1365 . 1 1 259 259 PRO C C 13 176.592 0.100 . 1 . . . . 259 Pro C . 17643 1 1366 . 1 1 259 259 PRO CA C 13 62.752 0.100 . 1 . . . . 259 Pro CA . 17643 1 1367 . 1 1 259 259 PRO CB C 13 31.354 0.100 . 1 . . . . 259 Pro CB . 17643 1 1368 . 1 1 260 260 ILE H H 1 8.329 0.004 . 1 . . . . 260 Ile H . 17643 1 1369 . 1 1 260 260 ILE HD11 H 1 0.864 0.006 . 1 . . . . 260 Ile HD11 . 17643 1 1370 . 1 1 260 260 ILE HD12 H 1 0.864 0.006 . 1 . . . . 260 Ile HD12 . 17643 1 1371 . 1 1 260 260 ILE HD13 H 1 0.864 0.006 . 1 . . . . 260 Ile HD13 . 17643 1 1372 . 1 1 260 260 ILE C C 13 175.434 0.004 . 1 . . . . 260 Ile C . 17643 1 1373 . 1 1 260 260 ILE CA C 13 61.022 0.095 . 1 . . . . 260 Ile CA . 17643 1 1374 . 1 1 260 260 ILE CB C 13 37.475 0.035 . 1 . . . . 260 Ile CB . 17643 1 1375 . 1 1 260 260 ILE CD1 C 13 16.787 0.087 . 1 . . . . 260 Ile CD1 . 17643 1 1376 . 1 1 260 260 ILE N N 15 122.808 0.018 . 1 . . . . 260 Ile N . 17643 1 1377 . 1 1 261 261 MET H H 1 8.184 0.005 . 1 . . . . 261 Met H . 17643 1 1378 . 1 1 261 261 MET C C 13 180.816 0.100 . 1 . . . . 261 Met C . 17643 1 1379 . 1 1 261 261 MET CA C 13 56.346 0.100 . 1 . . . . 261 Met CA . 17643 1 1380 . 1 1 261 261 MET CB C 13 33.226 0.100 . 1 . . . . 261 Met CB . 17643 1 1381 . 1 1 261 261 MET N N 15 132.595 0.037 . 1 . . . . 261 Met N . 17643 1 stop_ save_