data_5462 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5462 _Entry.Title ; 1H, 15N and 13C Backbone Assignment of MJ1267, an ATP-binding cassette ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-07-15 _Entry.Accession_date 2002-07-15 _Entry.Last_release_date 2002-11-05 _Entry.Original_release_date 2002-11-05 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Chunyu Wang . . . 5462 2 John Hunt . F. . 5462 3 Mark Rance . . . 5462 4 Arthur Palmer . G. III 5462 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5462 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 683 5462 '15N chemical shifts' 223 5462 '1H chemical shifts' 223 5462 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2002-11-05 2002-07-15 original author . 5462 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5462 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 15N and 13C Backbone Assignment of MJ1267, an ATP-binding cassette ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 24 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 167 _Citation.Page_last 168 _Citation.Year 2002 _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 Chunyu Wang . . . 5462 1 2 John Hunt . F. . 5462 1 3 Mark Rance . . . 5462 1 4 Arthur Palmer . G. III 5462 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_MJ1267 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_MJ1267 _Assembly.Entry_ID 5462 _Assembly.ID 1 _Assembly.Name MJ1267 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5462 1 stop_ 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 MJ1267 1 $MJ1267 . . . native . . . . . 5462 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1GAJ . . . . . . 5462 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID MJ1267 abbreviation 5462 1 MJ1267 system 5462 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MJ1267 _Entity.Sf_category entity _Entity.Sf_framecode MJ1267 _Entity.Entry_ID 5462 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MJ1267 _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 ; MRDTMEILRTENIVKYFGEF KALDGVSISVNKGDVTLIIG GPNSGKSTLINVITGFLKAD EGRVYFENKDITNKEPAELY HYGIVRTFQTPQPLKEMTVL ENLLIGEINPGESPLNSLFY KKWIPKEEEMVEKAFKILEF LKLSHLYDRKAGELSGGQMK LVEIGRALMTNPKMIVMDEP IAGVAPGLAHDIFNHVLELK AKGITFHRLDIVLNYIDHLY VMFNGQIIAEGRGEEEIKNV LSDPKVVEIYIGE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 253 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 28994.7 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 GB AAB99273 . "high-affinity branched-chain amino acid transport ATP-binding protein (braF) [Methanocaldococcus jannaschii DSM 2661]" . . . . . 101.58 257 97.28 97.28 8.34e-175 . . . . 5462 1 2 no REF NP_248263 . "high-affinity branched-chain amino acid transport ATP-binding protein BraF [Methanocaldococcus jannaschii DSM 2661]" . . . . . 101.58 257 97.28 97.28 8.34e-175 . . . . 5462 1 3 no REF WP_010870780 . "branched-chain amino acid ABC transporter ATP-binding protein [Methanocaldococcus jannaschii]" . . . . . 101.58 257 97.28 97.28 8.34e-175 . . . . 5462 1 4 no SP Q58663 . "RecName: Full=Probable branched-chain amino acid transport ATP-binding protein LivG [Methanocaldococcus jannaschii DSM 2661]" . . . . . 101.58 257 97.28 97.28 8.34e-175 . . . . 5462 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID MJ1267 abbreviation 5462 1 MJ1267 common 5462 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 1 MET . 5462 1 2 2 ARG . 5462 1 3 3 ASP . 5462 1 4 4 THR . 5462 1 5 5 MET . 5462 1 6 6 GLU . 5462 1 7 7 ILE . 5462 1 8 8 LEU . 5462 1 9 9 ARG . 5462 1 10 10 THR . 5462 1 11 11 GLU . 5462 1 12 12 ASN . 5462 1 13 13 ILE . 5462 1 14 14 VAL . 5462 1 15 15 LYS . 5462 1 16 16 TYR . 5462 1 17 17 PHE . 5462 1 18 18 GLY . 5462 1 19 19 GLU . 5462 1 20 20 PHE . 5462 1 21 21 LYS . 5462 1 22 22 ALA . 5462 1 23 23 LEU . 5462 1 24 24 ASP . 5462 1 25 25 GLY . 5462 1 26 26 VAL . 5462 1 27 27 SER . 5462 1 28 28 ILE . 5462 1 29 29 SER . 5462 1 30 30 VAL . 5462 1 31 31 ASN . 5462 1 32 32 LYS . 5462 1 33 33 GLY . 5462 1 34 34 ASP . 5462 1 35 35 VAL . 5462 1 36 36 THR . 5462 1 37 37 LEU . 5462 1 38 38 ILE . 5462 1 39 39 ILE . 5462 1 40 40 GLY . 5462 1 41 41 GLY . 5462 1 42 42 PRO . 5462 1 43 43 ASN . 5462 1 44 44 SER . 5462 1 45 45 GLY . 5462 1 46 46 LYS . 5462 1 47 47 SER . 5462 1 48 48 THR . 5462 1 49 49 LEU . 5462 1 50 50 ILE . 5462 1 51 51 ASN . 5462 1 52 52 VAL . 5462 1 53 53 ILE . 5462 1 54 54 THR . 5462 1 55 55 GLY . 5462 1 56 56 PHE . 5462 1 57 57 LEU . 5462 1 58 58 LYS . 5462 1 59 59 ALA . 5462 1 60 60 ASP . 5462 1 61 61 GLU . 5462 1 62 62 GLY . 5462 1 63 63 ARG . 5462 1 64 64 VAL . 5462 1 65 65 TYR . 5462 1 66 66 PHE . 5462 1 67 67 GLU . 5462 1 68 68 ASN . 5462 1 69 69 LYS . 5462 1 70 70 ASP . 5462 1 71 71 ILE . 5462 1 72 72 THR . 5462 1 73 73 ASN . 5462 1 74 74 LYS . 5462 1 75 75 GLU . 5462 1 76 76 PRO . 5462 1 77 77 ALA . 5462 1 78 78 GLU . 5462 1 79 79 LEU . 5462 1 80 80 TYR . 5462 1 81 81 HIS . 5462 1 82 82 TYR . 5462 1 83 83 GLY . 5462 1 84 84 ILE . 5462 1 85 85 VAL . 5462 1 86 86 ARG . 5462 1 87 87 THR . 5462 1 88 88 PHE . 5462 1 89 89 GLN . 5462 1 90 90 THR . 5462 1 91 91 PRO . 5462 1 92 92 GLN . 5462 1 93 93 PRO . 5462 1 94 94 LEU . 5462 1 95 95 LYS . 5462 1 96 96 GLU . 5462 1 97 97 MET . 5462 1 98 98 THR . 5462 1 99 99 VAL . 5462 1 100 100 LEU . 5462 1 101 101 GLU . 5462 1 102 102 ASN . 5462 1 103 103 LEU . 5462 1 104 104 LEU . 5462 1 105 105 ILE . 5462 1 106 106 GLY . 5462 1 107 107 GLU . 5462 1 108 108 ILE . 5462 1 109 109 ASN . 5462 1 110 110 PRO . 5462 1 111 111 GLY . 5462 1 112 112 GLU . 5462 1 113 113 SER . 5462 1 114 114 PRO . 5462 1 115 115 LEU . 5462 1 116 116 ASN . 5462 1 117 117 SER . 5462 1 118 118 LEU . 5462 1 119 119 PHE . 5462 1 120 120 TYR . 5462 1 121 121 LYS . 5462 1 122 122 LYS . 5462 1 123 123 TRP . 5462 1 124 124 ILE . 5462 1 125 125 PRO . 5462 1 126 126 LYS . 5462 1 127 127 GLU . 5462 1 128 128 GLU . 5462 1 129 129 GLU . 5462 1 130 130 MET . 5462 1 131 131 VAL . 5462 1 132 132 GLU . 5462 1 133 133 LYS . 5462 1 134 134 ALA . 5462 1 135 135 PHE . 5462 1 136 136 LYS . 5462 1 137 137 ILE . 5462 1 138 138 LEU . 5462 1 139 139 GLU . 5462 1 140 140 PHE . 5462 1 141 141 LEU . 5462 1 142 142 LYS . 5462 1 143 143 LEU . 5462 1 144 144 SER . 5462 1 145 145 HIS . 5462 1 146 146 LEU . 5462 1 147 147 TYR . 5462 1 148 148 ASP . 5462 1 149 149 ARG . 5462 1 150 150 LYS . 5462 1 151 151 ALA . 5462 1 152 152 GLY . 5462 1 153 153 GLU . 5462 1 154 154 LEU . 5462 1 155 155 SER . 5462 1 156 156 GLY . 5462 1 157 157 GLY . 5462 1 158 158 GLN . 5462 1 159 159 MET . 5462 1 160 160 LYS . 5462 1 161 161 LEU . 5462 1 162 162 VAL . 5462 1 163 163 GLU . 5462 1 164 164 ILE . 5462 1 165 165 GLY . 5462 1 166 166 ARG . 5462 1 167 167 ALA . 5462 1 168 168 LEU . 5462 1 169 169 MET . 5462 1 170 170 THR . 5462 1 171 171 ASN . 5462 1 172 172 PRO . 5462 1 173 173 LYS . 5462 1 174 174 MET . 5462 1 175 175 ILE . 5462 1 176 176 VAL . 5462 1 177 177 MET . 5462 1 178 178 ASP . 5462 1 179 179 GLU . 5462 1 180 180 PRO . 5462 1 181 181 ILE . 5462 1 182 182 ALA . 5462 1 183 183 GLY . 5462 1 184 184 VAL . 5462 1 185 185 ALA . 5462 1 186 186 PRO . 5462 1 187 187 GLY . 5462 1 188 188 LEU . 5462 1 189 189 ALA . 5462 1 190 190 HIS . 5462 1 191 191 ASP . 5462 1 192 192 ILE . 5462 1 193 193 PHE . 5462 1 194 194 ASN . 5462 1 195 195 HIS . 5462 1 196 196 VAL . 5462 1 197 197 LEU . 5462 1 198 198 GLU . 5462 1 199 199 LEU . 5462 1 200 200 LYS . 5462 1 201 201 ALA . 5462 1 202 202 LYS . 5462 1 203 203 GLY . 5462 1 204 204 ILE . 5462 1 205 205 THR . 5462 1 206 206 PHE . 5462 1 207 211 HIS . 5462 1 208 212 ARG . 5462 1 209 213 LEU . 5462 1 210 214 ASP . 5462 1 211 215 ILE . 5462 1 212 216 VAL . 5462 1 213 217 LEU . 5462 1 214 218 ASN . 5462 1 215 219 TYR . 5462 1 216 220 ILE . 5462 1 217 221 ASP . 5462 1 218 222 HIS . 5462 1 219 223 LEU . 5462 1 220 224 TYR . 5462 1 221 225 VAL . 5462 1 222 226 MET . 5462 1 223 227 PHE . 5462 1 224 228 ASN . 5462 1 225 229 GLY . 5462 1 226 230 GLN . 5462 1 227 231 ILE . 5462 1 228 232 ILE . 5462 1 229 233 ALA . 5462 1 230 234 GLU . 5462 1 231 235 GLY . 5462 1 232 236 ARG . 5462 1 233 237 GLY . 5462 1 234 238 GLU . 5462 1 235 239 GLU . 5462 1 236 240 GLU . 5462 1 237 241 ILE . 5462 1 238 242 LYS . 5462 1 239 243 ASN . 5462 1 240 244 VAL . 5462 1 241 245 LEU . 5462 1 242 246 SER . 5462 1 243 247 ASP . 5462 1 244 248 PRO . 5462 1 245 249 LYS . 5462 1 246 250 VAL . 5462 1 247 251 VAL . 5462 1 248 252 GLU . 5462 1 249 253 ILE . 5462 1 250 254 TYR . 5462 1 251 255 ILE . 5462 1 252 256 GLY . 5462 1 253 257 GLU . 5462 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5462 1 . ARG 2 2 5462 1 . ASP 3 3 5462 1 . THR 4 4 5462 1 . MET 5 5 5462 1 . GLU 6 6 5462 1 . ILE 7 7 5462 1 . LEU 8 8 5462 1 . ARG 9 9 5462 1 . THR 10 10 5462 1 . GLU 11 11 5462 1 . ASN 12 12 5462 1 . ILE 13 13 5462 1 . VAL 14 14 5462 1 . LYS 15 15 5462 1 . TYR 16 16 5462 1 . PHE 17 17 5462 1 . GLY 18 18 5462 1 . GLU 19 19 5462 1 . PHE 20 20 5462 1 . LYS 21 21 5462 1 . ALA 22 22 5462 1 . LEU 23 23 5462 1 . ASP 24 24 5462 1 . GLY 25 25 5462 1 . VAL 26 26 5462 1 . SER 27 27 5462 1 . ILE 28 28 5462 1 . SER 29 29 5462 1 . VAL 30 30 5462 1 . ASN 31 31 5462 1 . LYS 32 32 5462 1 . GLY 33 33 5462 1 . ASP 34 34 5462 1 . VAL 35 35 5462 1 . THR 36 36 5462 1 . LEU 37 37 5462 1 . ILE 38 38 5462 1 . ILE 39 39 5462 1 . GLY 40 40 5462 1 . GLY 41 41 5462 1 . PRO 42 42 5462 1 . ASN 43 43 5462 1 . SER 44 44 5462 1 . GLY 45 45 5462 1 . LYS 46 46 5462 1 . SER 47 47 5462 1 . THR 48 48 5462 1 . LEU 49 49 5462 1 . ILE 50 50 5462 1 . ASN 51 51 5462 1 . VAL 52 52 5462 1 . ILE 53 53 5462 1 . THR 54 54 5462 1 . GLY 55 55 5462 1 . PHE 56 56 5462 1 . LEU 57 57 5462 1 . LYS 58 58 5462 1 . ALA 59 59 5462 1 . ASP 60 60 5462 1 . GLU 61 61 5462 1 . GLY 62 62 5462 1 . ARG 63 63 5462 1 . VAL 64 64 5462 1 . TYR 65 65 5462 1 . PHE 66 66 5462 1 . GLU 67 67 5462 1 . ASN 68 68 5462 1 . LYS 69 69 5462 1 . ASP 70 70 5462 1 . ILE 71 71 5462 1 . THR 72 72 5462 1 . ASN 73 73 5462 1 . LYS 74 74 5462 1 . GLU 75 75 5462 1 . PRO 76 76 5462 1 . ALA 77 77 5462 1 . GLU 78 78 5462 1 . LEU 79 79 5462 1 . TYR 80 80 5462 1 . HIS 81 81 5462 1 . TYR 82 82 5462 1 . GLY 83 83 5462 1 . ILE 84 84 5462 1 . VAL 85 85 5462 1 . ARG 86 86 5462 1 . THR 87 87 5462 1 . PHE 88 88 5462 1 . GLN 89 89 5462 1 . THR 90 90 5462 1 . PRO 91 91 5462 1 . GLN 92 92 5462 1 . PRO 93 93 5462 1 . LEU 94 94 5462 1 . LYS 95 95 5462 1 . GLU 96 96 5462 1 . MET 97 97 5462 1 . THR 98 98 5462 1 . VAL 99 99 5462 1 . LEU 100 100 5462 1 . GLU 101 101 5462 1 . ASN 102 102 5462 1 . LEU 103 103 5462 1 . LEU 104 104 5462 1 . ILE 105 105 5462 1 . GLY 106 106 5462 1 . GLU 107 107 5462 1 . ILE 108 108 5462 1 . ASN 109 109 5462 1 . PRO 110 110 5462 1 . GLY 111 111 5462 1 . GLU 112 112 5462 1 . SER 113 113 5462 1 . PRO 114 114 5462 1 . LEU 115 115 5462 1 . ASN 116 116 5462 1 . SER 117 117 5462 1 . LEU 118 118 5462 1 . PHE 119 119 5462 1 . TYR 120 120 5462 1 . LYS 121 121 5462 1 . LYS 122 122 5462 1 . TRP 123 123 5462 1 . ILE 124 124 5462 1 . PRO 125 125 5462 1 . LYS 126 126 5462 1 . GLU 127 127 5462 1 . GLU 128 128 5462 1 . GLU 129 129 5462 1 . MET 130 130 5462 1 . VAL 131 131 5462 1 . GLU 132 132 5462 1 . LYS 133 133 5462 1 . ALA 134 134 5462 1 . PHE 135 135 5462 1 . LYS 136 136 5462 1 . ILE 137 137 5462 1 . LEU 138 138 5462 1 . GLU 139 139 5462 1 . PHE 140 140 5462 1 . LEU 141 141 5462 1 . LYS 142 142 5462 1 . LEU 143 143 5462 1 . SER 144 144 5462 1 . HIS 145 145 5462 1 . LEU 146 146 5462 1 . TYR 147 147 5462 1 . ASP 148 148 5462 1 . ARG 149 149 5462 1 . LYS 150 150 5462 1 . ALA 151 151 5462 1 . GLY 152 152 5462 1 . GLU 153 153 5462 1 . LEU 154 154 5462 1 . SER 155 155 5462 1 . GLY 156 156 5462 1 . GLY 157 157 5462 1 . GLN 158 158 5462 1 . MET 159 159 5462 1 . LYS 160 160 5462 1 . LEU 161 161 5462 1 . VAL 162 162 5462 1 . GLU 163 163 5462 1 . ILE 164 164 5462 1 . GLY 165 165 5462 1 . ARG 166 166 5462 1 . ALA 167 167 5462 1 . LEU 168 168 5462 1 . MET 169 169 5462 1 . THR 170 170 5462 1 . ASN 171 171 5462 1 . PRO 172 172 5462 1 . LYS 173 173 5462 1 . MET 174 174 5462 1 . ILE 175 175 5462 1 . VAL 176 176 5462 1 . MET 177 177 5462 1 . ASP 178 178 5462 1 . GLU 179 179 5462 1 . PRO 180 180 5462 1 . ILE 181 181 5462 1 . ALA 182 182 5462 1 . GLY 183 183 5462 1 . VAL 184 184 5462 1 . ALA 185 185 5462 1 . PRO 186 186 5462 1 . GLY 187 187 5462 1 . LEU 188 188 5462 1 . ALA 189 189 5462 1 . HIS 190 190 5462 1 . ASP 191 191 5462 1 . ILE 192 192 5462 1 . PHE 193 193 5462 1 . ASN 194 194 5462 1 . HIS 195 195 5462 1 . VAL 196 196 5462 1 . LEU 197 197 5462 1 . GLU 198 198 5462 1 . LEU 199 199 5462 1 . LYS 200 200 5462 1 . ALA 201 201 5462 1 . LYS 202 202 5462 1 . GLY 203 203 5462 1 . ILE 204 204 5462 1 . THR 205 205 5462 1 . PHE 206 206 5462 1 . HIS 207 207 5462 1 . ARG 208 208 5462 1 . LEU 209 209 5462 1 . ASP 210 210 5462 1 . ILE 211 211 5462 1 . VAL 212 212 5462 1 . LEU 213 213 5462 1 . ASN 214 214 5462 1 . TYR 215 215 5462 1 . ILE 216 216 5462 1 . ASP 217 217 5462 1 . HIS 218 218 5462 1 . LEU 219 219 5462 1 . TYR 220 220 5462 1 . VAL 221 221 5462 1 . MET 222 222 5462 1 . PHE 223 223 5462 1 . ASN 224 224 5462 1 . GLY 225 225 5462 1 . GLN 226 226 5462 1 . ILE 227 227 5462 1 . ILE 228 228 5462 1 . ALA 229 229 5462 1 . GLU 230 230 5462 1 . GLY 231 231 5462 1 . ARG 232 232 5462 1 . GLY 233 233 5462 1 . GLU 234 234 5462 1 . GLU 235 235 5462 1 . GLU 236 236 5462 1 . ILE 237 237 5462 1 . LYS 238 238 5462 1 . ASN 239 239 5462 1 . VAL 240 240 5462 1 . LEU 241 241 5462 1 . SER 242 242 5462 1 . ASP 243 243 5462 1 . PRO 244 244 5462 1 . LYS 245 245 5462 1 . VAL 246 246 5462 1 . VAL 247 247 5462 1 . GLU 248 248 5462 1 . ILE 249 249 5462 1 . TYR 250 250 5462 1 . ILE 251 251 5462 1 . GLY 252 252 5462 1 . GLU 253 253 5462 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5462 _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 $MJ1267 . 2190 . . 'Methanococcus jannaschii' . . . Archaea . Methanococcus jannaschii . . . . . . . . . . . . . . . . . . . . . 5462 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 5462 _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 $MJ1267 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5462 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5462 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 MJ1267 '[U-13C; U-15N; U-96% 2H]' . . 1 $MJ1267 . . 0.6 . . mM . . . . 5462 1 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 5462 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5462 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 0.01 M 5462 1 pH 7.0 0.1 na 5462 1 temperature 313 0.2 K 5462 1 stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 5462 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data processing' 5462 1 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 5462 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5462 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5462 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5462 _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 NMR_spectrometer Varian INOVA . 600 . . . 5462 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 5462 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N TROSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5462 1 2 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5462 1 3 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5462 1 4 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5462 1 5 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5462 1 6 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5462 1 7 HN(CO)CACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5462 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5462 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N TROSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5462 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5462 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5462 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5462 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5462 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5462 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HN(CO)CACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5462 _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 external indirect 0.25144952 external cylindrical parallel . . . . . . 5462 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.00000000 . . . . . . . . . 5462 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.10132905 external cylindrical parallel . . . . . . 5462 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_chemical_shift_data _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_data _Assigned_chem_shift_list.Entry_ID 5462 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H-15N TROSY' 1 $sample_1 . 5462 1 2 HNCA 1 $sample_1 . 5462 1 3 HN(CO)CA 1 $sample_1 . 5462 1 4 HNCO 1 $sample_1 . 5462 1 5 HN(CA)CO 1 $sample_1 . 5462 1 6 HNCACB 1 $sample_1 . 5462 1 7 HN(CO)CACB 1 $sample_1 . 5462 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 ASP C C 13 176.5 0.1 . 1 . . . . 3 . . . 5462 1 2 . 1 1 3 3 ASP CA C 13 54.3 0.1 . 1 . . . . 3 . . . 5462 1 3 . 1 1 3 3 ASP CB C 13 41.2 0.1 . 1 . . . . 3 . . . 5462 1 4 . 1 1 4 4 THR H H 1 7.77 0.02 . 1 . . . . 4 . . . 5462 1 5 . 1 1 4 4 THR N N 15 115.9 0.1 . 1 . . . . 4 . . . 5462 1 6 . 1 1 4 4 THR C C 13 174.4 0.1 . 1 . . . . 4 . . . 5462 1 7 . 1 1 4 4 THR CA C 13 61.5 0.1 . 1 . . . . 4 . . . 5462 1 8 . 1 1 4 4 THR CB C 13 69.5 0.1 . 1 . . . . 4 . . . 5462 1 9 . 1 1 5 5 MET H H 1 8.15 0.02 . 1 . . . . 5 . . . 5462 1 10 . 1 1 5 5 MET N N 15 122.7 0.1 . 1 . . . . 5 . . . 5462 1 11 . 1 1 5 5 MET C C 13 175.1 0.1 . 1 . . . . 5 . . . 5462 1 12 . 1 1 5 5 MET CA C 13 54.8 0.1 . 1 . . . . 5 . . . 5462 1 13 . 1 1 5 5 MET CB C 13 32.8 0.1 . 1 . . . . 5 . . . 5462 1 14 . 1 1 6 6 GLU H H 1 7.96 0.02 . 1 . . . . 6 . . . 5462 1 15 . 1 1 6 6 GLU N N 15 125.8 0.1 . 1 . . . . 6 . . . 5462 1 16 . 1 1 6 6 GLU C C 13 175.9 0.1 . 1 . . . . 6 . . . 5462 1 17 . 1 1 6 6 GLU CA C 13 57.4 0.1 . 1 . . . . 6 . . . 5462 1 18 . 1 1 6 6 GLU CB C 13 30.7 0.1 . 1 . . . . 6 . . . 5462 1 19 . 1 1 7 7 ILE H H 1 9.02 0.02 . 1 . . . . 7 . . . 5462 1 20 . 1 1 7 7 ILE N N 15 127.7 0.1 . 1 . . . . 7 . . . 5462 1 21 . 1 1 7 7 ILE C C 13 172.8 0.1 . 1 . . . . 7 . . . 5462 1 22 . 1 1 7 7 ILE CA C 13 61.6 0.1 . 1 . . . . 7 . . . 5462 1 23 . 1 1 7 7 ILE CB C 13 40.9 0.1 . 1 . . . . 7 . . . 5462 1 24 . 1 1 8 8 LEU H H 1 7.56 0.02 . 1 . . . . 8 . . . 5462 1 25 . 1 1 8 8 LEU N N 15 125.3 0.1 . 1 . . . . 8 . . . 5462 1 26 . 1 1 8 8 LEU C C 13 173.9 0.1 . 1 . . . . 8 . . . 5462 1 27 . 1 1 8 8 LEU CA C 13 53.8 0.1 . 1 . . . . 8 . . . 5462 1 28 . 1 1 8 8 LEU CB C 13 46 0.1 . 1 . . . . 8 . . . 5462 1 29 . 1 1 9 9 ARG H H 1 8.89 0.02 . 1 . . . . 9 . . . 5462 1 30 . 1 1 9 9 ARG N N 15 125.2 0.1 . 1 . . . . 9 . . . 5462 1 31 . 1 1 9 9 ARG C C 13 175.5 0.1 . 1 . . . . 9 . . . 5462 1 32 . 1 1 9 9 ARG CA C 13 54.8 0.1 . 1 . . . . 9 . . . 5462 1 33 . 1 1 9 9 ARG CB C 13 33.3 0.1 . 1 . . . . 9 . . . 5462 1 34 . 1 1 10 10 THR H H 1 8.92 0.02 . 1 . . . . 10 . . . 5462 1 35 . 1 1 10 10 THR N N 15 113.5 0.1 . 1 . . . . 10 . . . 5462 1 36 . 1 1 10 10 THR C C 13 173.5 0.1 . 1 . . . . 10 . . . 5462 1 37 . 1 1 10 10 THR CA C 13 59.7 0.1 . 1 . . . . 10 . . . 5462 1 38 . 1 1 10 10 THR CB C 13 70.7 0.1 . 1 . . . . 10 . . . 5462 1 39 . 1 1 11 11 GLU H H 1 9.10 0.02 . 1 . . . . 11 . . . 5462 1 40 . 1 1 11 11 GLU N N 15 122.5 0.1 . 1 . . . . 11 . . . 5462 1 41 . 1 1 11 11 GLU C C 13 174.8 0.1 . 1 . . . . 11 . . . 5462 1 42 . 1 1 11 11 GLU CA C 13 54.1 0.1 . 1 . . . . 11 . . . 5462 1 43 . 1 1 11 11 GLU CB C 13 31.6 0.1 . 1 . . . . 11 . . . 5462 1 44 . 1 1 12 12 ASN H H 1 8.41 0.02 . 1 . . . . 12 . . . 5462 1 45 . 1 1 12 12 ASN N N 15 122 0.1 . 1 . . . . 12 . . . 5462 1 46 . 1 1 12 12 ASN C C 13 173.2 0.1 . 1 . . . . 12 . . . 5462 1 47 . 1 1 12 12 ASN CA C 13 54 0.1 . 1 . . . . 12 . . . 5462 1 48 . 1 1 12 12 ASN CB C 13 37.9 0.1 . 1 . . . . 12 . . . 5462 1 49 . 1 1 13 13 ILE H H 1 7.58 0.02 . 1 . . . . 13 . . . 5462 1 50 . 1 1 13 13 ILE N N 15 117.2 0.1 . 1 . . . . 13 . . . 5462 1 51 . 1 1 13 13 ILE C C 13 177 0.1 . 1 . . . . 13 . . . 5462 1 52 . 1 1 13 13 ILE CA C 13 60.5 0.1 . 1 . . . . 13 . . . 5462 1 53 . 1 1 13 13 ILE CB C 13 35.6 0.1 . 1 . . . . 13 . . . 5462 1 54 . 1 1 14 14 VAL H H 1 7.88 0.02 . 1 . . . . 14 . . . 5462 1 55 . 1 1 14 14 VAL N N 15 129.2 0.1 . 1 . . . . 14 . . . 5462 1 56 . 1 1 14 14 VAL C C 13 175 0.1 . 1 . . . . 14 . . . 5462 1 57 . 1 1 14 14 VAL CA C 13 60.1 0.1 . 1 . . . . 14 . . . 5462 1 58 . 1 1 14 14 VAL CB C 13 35.1 0.1 . 1 . . . . 14 . . . 5462 1 59 . 1 1 15 15 LYS H H 1 7.66 0.02 . 1 . . . . 15 . . . 5462 1 60 . 1 1 15 15 LYS N N 15 127 0.1 . 1 . . . . 15 . . . 5462 1 61 . 1 1 15 15 LYS C C 13 173.6 0.1 . 1 . . . . 15 . . . 5462 1 62 . 1 1 15 15 LYS CA C 13 53.7 0.1 . 1 . . . . 15 . . . 5462 1 63 . 1 1 15 15 LYS CB C 13 35.4 0.1 . 1 . . . . 15 . . . 5462 1 64 . 1 1 16 16 TYR H H 1 9.14 0.02 . 1 . . . . 16 . . . 5462 1 65 . 1 1 16 16 TYR N N 15 129.3 0.1 . 1 . . . . 16 . . . 5462 1 66 . 1 1 16 16 TYR C C 13 176.5 0.1 . 1 . . . . 16 . . . 5462 1 67 . 1 1 16 16 TYR CA C 13 57.1 0.1 . 1 . . . . 16 . . . 5462 1 68 . 1 1 16 16 TYR CB C 13 39.9 0.1 . 1 . . . . 16 . . . 5462 1 69 . 1 1 17 17 PHE H H 1 8.99 0.02 . 1 . . . . 17 . . . 5462 1 70 . 1 1 17 17 PHE N N 15 122.4 0.1 . 1 . . . . 17 . . . 5462 1 71 . 1 1 17 17 PHE C C 13 176.6 0.1 . 1 . . . . 17 . . . 5462 1 72 . 1 1 17 17 PHE CA C 13 56.2 0.1 . 1 . . . . 17 . . . 5462 1 73 . 1 1 17 17 PHE CB C 13 39 0.1 . 1 . . . . 17 . . . 5462 1 74 . 1 1 19 19 GLU H H 1 8.70 0.02 . 1 . . . . 19 . . . 5462 1 75 . 1 1 19 19 GLU N N 15 127.2 0.1 . 1 . . . . 19 . . . 5462 1 76 . 1 1 19 19 GLU C C 13 176.3 0.1 . 1 . . . . 19 . . . 5462 1 77 . 1 1 19 19 GLU CA C 13 56.7 0.1 . 1 . . . . 19 . . . 5462 1 78 . 1 1 19 19 GLU CB C 13 29.4 0.1 . 1 . . . . 19 . . . 5462 1 79 . 1 1 20 20 PHE H H 1 7.75 0.02 . 1 . . . . 20 . . . 5462 1 80 . 1 1 20 20 PHE N N 15 122 0.1 . 1 . . . . 20 . . . 5462 1 81 . 1 1 20 20 PHE C C 13 174.1 0.1 . 1 . . . . 20 . . . 5462 1 82 . 1 1 20 20 PHE CA C 13 56.8 0.1 . 1 . . . . 20 . . . 5462 1 83 . 1 1 20 20 PHE CB C 13 39.6 0.1 . 1 . . . . 20 . . . 5462 1 84 . 1 1 21 21 LYS H H 1 8.17 0.02 . 1 . . . . 21 . . . 5462 1 85 . 1 1 21 21 LYS N N 15 130.6 0.1 . 1 . . . . 21 . . . 5462 1 86 . 1 1 21 21 LYS C C 13 173.6 0.1 . 1 . . . . 21 . . . 5462 1 87 . 1 1 21 21 LYS CA C 13 55.7 0.1 . 1 . . . . 21 . . . 5462 1 88 . 1 1 21 21 LYS CB C 13 30.8 0.1 . 1 . . . . 21 . . . 5462 1 89 . 1 1 22 22 ALA H H 1 7.56 0.02 . 1 . . . . 22 . . . 5462 1 90 . 1 1 22 22 ALA N N 15 131.3 0.1 . 1 . . . . 22 . . . 5462 1 91 . 1 1 22 22 ALA C C 13 177.6 0.1 . 1 . . . . 22 . . . 5462 1 92 . 1 1 22 22 ALA CA C 13 52.8 0.1 . 1 . . . . 22 . . . 5462 1 93 . 1 1 22 22 ALA CB C 13 20.3 0.1 . 1 . . . . 22 . . . 5462 1 94 . 1 1 23 23 LEU H H 1 6.96 0.02 . 1 . . . . 23 . . . 5462 1 95 . 1 1 23 23 LEU N N 15 111.8 0.1 . 1 . . . . 23 . . . 5462 1 96 . 1 1 23 23 LEU C C 13 175.6 0.1 . 1 . . . . 23 . . . 5462 1 97 . 1 1 23 23 LEU CA C 13 53.5 0.1 . 1 . . . . 23 . . . 5462 1 98 . 1 1 23 23 LEU CB C 13 44.3 0.1 . 1 . . . . 23 . . . 5462 1 99 . 1 1 24 24 ASP H H 1 8.82 0.02 . 1 . . . . 24 . . . 5462 1 100 . 1 1 24 24 ASP N N 15 124.3 0.1 . 1 . . . . 24 . . . 5462 1 101 . 1 1 24 24 ASP C C 13 174.2 0.1 . 1 . . . . 24 . . . 5462 1 102 . 1 1 24 24 ASP CA C 13 51.6 0.1 . 1 . . . . 24 . . . 5462 1 103 . 1 1 24 24 ASP CB C 13 41.3 0.1 . 1 . . . . 24 . . . 5462 1 104 . 1 1 25 25 GLY H H 1 7.02 0.02 . 1 . . . . 25 . . . 5462 1 105 . 1 1 25 25 GLY N N 15 111.9 0.1 . 1 . . . . 25 . . . 5462 1 106 . 1 1 25 25 GLY C C 13 174.8 0.1 . 1 . . . . 25 . . . 5462 1 107 . 1 1 25 25 GLY CA C 13 47.3 0.1 . 1 . . . . 25 . . . 5462 1 108 . 1 1 26 26 VAL H H 1 8.19 0.02 . 1 . . . . 26 . . . 5462 1 109 . 1 1 26 26 VAL N N 15 123 0.1 . 1 . . . . 26 . . . 5462 1 110 . 1 1 26 26 VAL C C 13 177.2 0.1 . 1 . . . . 26 . . . 5462 1 111 . 1 1 26 26 VAL CA C 13 63.7 0.1 . 1 . . . . 26 . . . 5462 1 112 . 1 1 26 26 VAL CB C 13 32.5 0.1 . 1 . . . . 26 . . . 5462 1 113 . 1 1 27 27 SER H H 1 8.81 0.02 . 1 . . . . 27 . . . 5462 1 114 . 1 1 27 27 SER N N 15 131.2 0.1 . 1 . . . . 27 . . . 5462 1 115 . 1 1 27 27 SER C C 13 172.5 0.1 . 1 . . . . 27 . . . 5462 1 116 . 1 1 27 27 SER CA C 13 56.5 0.1 . 1 . . . . 27 . . . 5462 1 117 . 1 1 27 27 SER CB C 13 63.4 0.1 . 1 . . . . 27 . . . 5462 1 118 . 1 1 28 28 ILE H H 1 7.52 0.02 . 1 . . . . 28 . . . 5462 1 119 . 1 1 28 28 ILE N N 15 117.9 0.1 . 1 . . . . 28 . . . 5462 1 120 . 1 1 28 28 ILE C C 13 174.6 0.1 . 1 . . . . 28 . . . 5462 1 121 . 1 1 28 28 ILE CA C 13 58.9 0.1 . 1 . . . . 28 . . . 5462 1 122 . 1 1 28 28 ILE CB C 13 41.7 0.1 . 1 . . . . 28 . . . 5462 1 123 . 1 1 29 29 SER H H 1 8.16 0.02 . 1 . . . . 29 . . . 5462 1 124 . 1 1 29 29 SER N N 15 116.6 0.1 . 1 . . . . 29 . . . 5462 1 125 . 1 1 29 29 SER C C 13 173.3 0.1 . 1 . . . . 29 . . . 5462 1 126 . 1 1 29 29 SER CA C 13 57.9 0.1 . 1 . . . . 29 . . . 5462 1 127 . 1 1 29 29 SER CB C 13 64.3 0.1 . 1 . . . . 29 . . . 5462 1 128 . 1 1 30 30 VAL H H 1 9.05 0.02 . 1 . . . . 30 . . . 5462 1 129 . 1 1 30 30 VAL N N 15 126.4 0.1 . 1 . . . . 30 . . . 5462 1 130 . 1 1 30 30 VAL C C 13 175.9 0.1 . 1 . . . . 30 . . . 5462 1 131 . 1 1 30 30 VAL CA C 13 60.2 0.1 . 1 . . . . 30 . . . 5462 1 132 . 1 1 30 30 VAL CB C 13 34.3 0.1 . 1 . . . . 30 . . . 5462 1 133 . 1 1 31 31 ASN H H 1 8.35 0.02 . 1 . . . . 31 . . . 5462 1 134 . 1 1 31 31 ASN N N 15 128.5 0.1 . 1 . . . . 31 . . . 5462 1 135 . 1 1 31 31 ASN C C 13 175.3 0.1 . 1 . . . . 31 . . . 5462 1 136 . 1 1 31 31 ASN CA C 13 52.1 0.1 . 1 . . . . 31 . . . 5462 1 137 . 1 1 31 31 ASN CB C 13 38.5 0.1 . 1 . . . . 31 . . . 5462 1 138 . 1 1 32 32 LYS H H 1 8.49 0.02 . 1 . . . . 32 . . . 5462 1 139 . 1 1 32 32 LYS N N 15 122.1 0.1 . 1 . . . . 32 . . . 5462 1 140 . 1 1 32 32 LYS C C 13 178 0.1 . 1 . . . . 32 . . . 5462 1 141 . 1 1 32 32 LYS CA C 13 57.6 0.1 . 1 . . . . 32 . . . 5462 1 142 . 1 1 32 32 LYS CB C 13 32 0.1 . 1 . . . . 32 . . . 5462 1 143 . 1 1 33 33 GLY H H 1 9.30 0.02 . 1 . . . . 33 . . . 5462 1 144 . 1 1 33 33 GLY N N 15 118.4 0.1 . 1 . . . . 33 . . . 5462 1 145 . 1 1 33 33 GLY C C 13 173.5 0.1 . 1 . . . . 33 . . . 5462 1 146 . 1 1 33 33 GLY CA C 13 44.6 0.1 . 1 . . . . 33 . . . 5462 1 147 . 1 1 34 34 ASP H H 1 7.64 0.02 . 1 . . . . 34 . . . 5462 1 148 . 1 1 34 34 ASP N N 15 120.8 0.1 . 1 . . . . 34 . . . 5462 1 149 . 1 1 34 34 ASP C C 13 177.7 0.1 . 1 . . . . 34 . . . 5462 1 150 . 1 1 34 34 ASP CA C 13 54 0.1 . 1 . . . . 34 . . . 5462 1 151 . 1 1 34 34 ASP CB C 13 41.5 0.1 . 1 . . . . 34 . . . 5462 1 152 . 1 1 35 35 VAL H H 1 10.04 0.02 . 1 . . . . 35 . . . 5462 1 153 . 1 1 35 35 VAL N N 15 123.7 0.1 . 1 . . . . 35 . . . 5462 1 154 . 1 1 35 35 VAL C C 13 176.3 0.1 . 1 . . . . 35 . . . 5462 1 155 . 1 1 35 35 VAL CA C 13 63.8 0.1 . 1 . . . . 35 . . . 5462 1 156 . 1 1 35 35 VAL CB C 13 30.7 0.1 . 1 . . . . 35 . . . 5462 1 157 . 1 1 36 36 THR H H 1 8.52 0.02 . 1 . . . . 36 . . . 5462 1 158 . 1 1 36 36 THR N N 15 127.8 0.1 . 1 . . . . 36 . . . 5462 1 159 . 1 1 36 36 THR C C 13 171.6 0.1 . 1 . . . . 36 . . . 5462 1 160 . 1 1 36 36 THR CA C 13 61.9 0.1 . 1 . . . . 36 . . . 5462 1 161 . 1 1 36 36 THR CB C 13 70.2 0.1 . 1 . . . . 36 . . . 5462 1 162 . 1 1 37 37 LEU H H 1 8.88 0.02 . 1 . . . . 37 . . . 5462 1 163 . 1 1 37 37 LEU N N 15 131.4 0.1 . 1 . . . . 37 . . . 5462 1 164 . 1 1 37 37 LEU C C 13 174.3 0.1 . 1 . . . . 37 . . . 5462 1 165 . 1 1 37 37 LEU CA C 13 52.1 0.1 . 1 . . . . 37 . . . 5462 1 166 . 1 1 38 38 ILE H H 1 8.68 0.02 . 1 . . . . 38 . . . 5462 1 167 . 1 1 38 38 ILE N N 15 126.3 0.1 . 1 . . . . 38 . . . 5462 1 168 . 1 1 38 38 ILE C C 13 175.2 0.1 . 1 . . . . 38 . . . 5462 1 169 . 1 1 38 38 ILE CA C 13 60.2 0.1 . 1 . . . . 38 . . . 5462 1 170 . 1 1 38 38 ILE CB C 13 38.5 0.1 . 1 . . . . 38 . . . 5462 1 171 . 1 1 39 39 ILE H H 1 8.33 0.02 . 1 . . . . 39 . . . 5462 1 172 . 1 1 39 39 ILE N N 15 118.2 0.1 . 1 . . . . 39 . . . 5462 1 173 . 1 1 39 39 ILE C C 13 175.2 0.1 . 1 . . . . 39 . . . 5462 1 174 . 1 1 39 39 ILE CA C 13 57.8 0.1 . 1 . . . . 39 . . . 5462 1 175 . 1 1 40 40 GLY H H 1 7.23 0.02 . 1 . . . . 40 . . . 5462 1 176 . 1 1 40 40 GLY N N 15 108.3 0.1 . 1 . . . . 40 . . . 5462 1 177 . 1 1 40 40 GLY C C 13 171.7 0.1 . 1 . . . . 40 . . . 5462 1 178 . 1 1 40 40 GLY CA C 13 45.5 0.1 . 1 . . . . 40 . . . 5462 1 179 . 1 1 43 43 ASN C C 13 176 0.1 . 1 . . . . 43 . . . 5462 1 180 . 1 1 43 43 ASN CA C 13 45.56 0.1 . 1 . . . . 43 . . . 5462 1 181 . 1 1 44 44 SER H H 1 8.43 0.02 . 1 . . . . 44 . . . 5462 1 182 . 1 1 44 44 SER N N 15 119.2 0.1 . 1 . . . . 44 . . . 5462 1 183 . 1 1 44 44 SER C C 13 174.6 0.1 . 1 . . . . 44 . . . 5462 1 184 . 1 1 44 44 SER CA C 13 61.3 0.1 . 1 . . . . 44 . . . 5462 1 185 . 1 1 44 44 SER CB C 13 64.2 0.1 . 1 . . . . 44 . . . 5462 1 186 . 1 1 45 45 GLY H H 1 8.59 0.02 . 1 . . . . 45 . . . 5462 1 187 . 1 1 45 45 GLY N N 15 110.9 0.1 . 1 . . . . 45 . . . 5462 1 188 . 1 1 45 45 GLY C C 13 175.5 0.1 . 1 . . . . 45 . . . 5462 1 189 . 1 1 45 45 GLY CA C 13 44.9 0.1 . 1 . . . . 45 . . . 5462 1 190 . 1 1 46 46 LYS H H 1 8.38 0.02 . 1 . . . . 46 . . . 5462 1 191 . 1 1 46 46 LYS N N 15 125 0.1 . 1 . . . . 46 . . . 5462 1 192 . 1 1 46 46 LYS C C 13 177.9 0.1 . 1 . . . . 46 . . . 5462 1 193 . 1 1 46 46 LYS CA C 13 59.9 0.1 . 1 . . . . 46 . . . 5462 1 194 . 1 1 46 46 LYS CB C 13 30.3 0.1 . 1 . . . . 46 . . . 5462 1 195 . 1 1 47 47 SER H H 1 8.92 0.02 . 1 . . . . 47 . . . 5462 1 196 . 1 1 47 47 SER N N 15 117.8 0.1 . 1 . . . . 47 . . . 5462 1 197 . 1 1 47 47 SER C C 13 177.4 0.1 . 1 . . . . 47 . . . 5462 1 198 . 1 1 47 47 SER CA C 13 61.3 0.1 . 1 . . . . 47 . . . 5462 1 199 . 1 1 48 48 THR H H 1 7.18 0.02 . 1 . . . . 48 . . . 5462 1 200 . 1 1 48 48 THR N N 15 122.8 0.1 . 1 . . . . 48 . . . 5462 1 201 . 1 1 48 48 THR C C 13 175.8 0.1 . 1 . . . . 48 . . . 5462 1 202 . 1 1 48 48 THR CA C 13 66.7 0.1 . 1 . . . . 48 . . . 5462 1 203 . 1 1 48 48 THR CB C 13 67.3 0.1 . 1 . . . . 48 . . . 5462 1 204 . 1 1 49 49 LEU H H 1 8.28 0.02 . 1 . . . . 49 . . . 5462 1 205 . 1 1 49 49 LEU N N 15 122.5 0.1 . 1 . . . . 49 . . . 5462 1 206 . 1 1 49 49 LEU C C 13 178.5 0.1 . 1 . . . . 49 . . . 5462 1 207 . 1 1 49 49 LEU CA C 13 58.3 0.1 . 1 . . . . 49 . . . 5462 1 208 . 1 1 49 49 LEU CB C 13 40.1 0.1 . 1 . . . . 49 . . . 5462 1 209 . 1 1 50 50 ILE H H 1 7.44 0.02 . 1 . . . . 50 . . . 5462 1 210 . 1 1 50 50 ILE N N 15 116.5 0.1 . 1 . . . . 50 . . . 5462 1 211 . 1 1 50 50 ILE C C 13 179.2 0.1 . 1 . . . . 50 . . . 5462 1 212 . 1 1 50 50 ILE CA C 13 64.1 0.1 . 1 . . . . 50 . . . 5462 1 213 . 1 1 50 50 ILE CB C 13 36.2 0.1 . 1 . . . . 50 . . . 5462 1 214 . 1 1 51 51 ASN H H 1 8.15 0.02 . 1 . . . . 51 . . . 5462 1 215 . 1 1 51 51 ASN N N 15 123.7 0.1 . 1 . . . . 51 . . . 5462 1 216 . 1 1 51 51 ASN C C 13 176.8 0.1 . 1 . . . . 51 . . . 5462 1 217 . 1 1 51 51 ASN CA C 13 56.2 0.1 . 1 . . . . 51 . . . 5462 1 218 . 1 1 51 51 ASN CB C 13 37.5 0.1 . 1 . . . . 51 . . . 5462 1 219 . 1 1 52 52 VAL H H 1 7.97 0.02 . 1 . . . . 52 . . . 5462 1 220 . 1 1 52 52 VAL N N 15 123.5 0.1 . 1 . . . . 52 . . . 5462 1 221 . 1 1 52 52 VAL C C 13 178.9 0.1 . 1 . . . . 52 . . . 5462 1 222 . 1 1 52 52 VAL CA C 13 64.5 0.1 . 1 . . . . 52 . . . 5462 1 223 . 1 1 52 52 VAL CB C 13 31 0.1 . 1 . . . . 52 . . . 5462 1 224 . 1 1 53 53 ILE H H 1 7.79 0.02 . 1 . . . . 53 . . . 5462 1 225 . 1 1 53 53 ILE N N 15 118.8 0.1 . 1 . . . . 53 . . . 5462 1 226 . 1 1 53 53 ILE C C 13 175.2 0.1 . 1 . . . . 53 . . . 5462 1 227 . 1 1 53 53 ILE CA C 13 65.5 0.1 . 1 . . . . 53 . . . 5462 1 228 . 1 1 53 53 ILE CB C 13 38.3 0.1 . 1 . . . . 53 . . . 5462 1 229 . 1 1 54 54 THR H H 1 7.09 0.02 . 1 . . . . 54 . . . 5462 1 230 . 1 1 54 54 THR N N 15 100.5 0.1 . 1 . . . . 54 . . . 5462 1 231 . 1 1 54 54 THR C C 13 174.4 0.1 . 1 . . . . 54 . . . 5462 1 232 . 1 1 54 54 THR CA C 13 61.6 0.1 . 1 . . . . 54 . . . 5462 1 233 . 1 1 54 54 THR CB C 13 69.5 0.1 . 1 . . . . 54 . . . 5462 1 234 . 1 1 55 55 GLY H H 1 7.09 0.02 . 1 . . . . 55 . . . 5462 1 235 . 1 1 55 55 GLY N N 15 107.8 0.1 . 1 . . . . 55 . . . 5462 1 236 . 1 1 55 55 GLY C C 13 174.9 0.1 . 1 . . . . 55 . . . 5462 1 237 . 1 1 55 55 GLY CA C 13 46.5 0.1 . 1 . . . . 55 . . . 5462 1 238 . 1 1 56 56 PHE H H 1 8.04 0.02 . 1 . . . . 56 . . . 5462 1 239 . 1 1 56 56 PHE N N 15 121 0.1 . 1 . . . . 56 . . . 5462 1 240 . 1 1 56 56 PHE C C 13 175.5 0.1 . 1 . . . . 56 . . . 5462 1 241 . 1 1 56 56 PHE CA C 13 60.5 0.1 . 1 . . . . 56 . . . 5462 1 242 . 1 1 56 56 PHE CB C 13 39.3 0.1 . 1 . . . . 56 . . . 5462 1 243 . 1 1 57 57 LEU H H 1 7.23 0.02 . 1 . . . . 57 . . . 5462 1 244 . 1 1 57 57 LEU N N 15 119.9 0.1 . 1 . . . . 57 . . . 5462 1 245 . 1 1 57 57 LEU C C 13 174.9 0.1 . 1 . . . . 57 . . . 5462 1 246 . 1 1 57 57 LEU CA C 13 52.7 0.1 . 1 . . . . 57 . . . 5462 1 247 . 1 1 57 57 LEU CB C 13 46.9 0.1 . 1 . . . . 57 . . . 5462 1 248 . 1 1 58 58 LYS H H 1 8.15 0.02 . 1 . . . . 58 . . . 5462 1 249 . 1 1 58 58 LYS N N 15 121.2 0.1 . 1 . . . . 58 . . . 5462 1 250 . 1 1 58 58 LYS C C 13 177.6 0.1 . 1 . . . . 58 . . . 5462 1 251 . 1 1 58 58 LYS CA C 13 54.3 0.1 . 1 . . . . 58 . . . 5462 1 252 . 1 1 58 58 LYS CB C 13 31.7 0.1 . 1 . . . . 58 . . . 5462 1 253 . 1 1 59 59 ALA H H 1 9.36 0.02 . 1 . . . . 59 . . . 5462 1 254 . 1 1 59 59 ALA N N 15 126.9 0.1 . 1 . . . . 59 . . . 5462 1 255 . 1 1 59 59 ALA C C 13 177.9 0.1 . 1 . . . . 59 . . . 5462 1 256 . 1 1 59 59 ALA CA C 13 52 0.1 . 1 . . . . 59 . . . 5462 1 257 . 1 1 59 59 ALA CB C 13 17.9 0.1 . 1 . . . . 59 . . . 5462 1 258 . 1 1 60 60 ASP H H 1 7.93 0.02 . 1 . . . . 60 . . . 5462 1 259 . 1 1 60 60 ASP N N 15 123.4 0.1 . 1 . . . . 60 . . . 5462 1 260 . 1 1 60 60 ASP C C 13 176.4 0.1 . 1 . . . . 60 . . . 5462 1 261 . 1 1 60 60 ASP CA C 13 57.4 0.1 . 1 . . . . 60 . . . 5462 1 262 . 1 1 60 60 ASP CB C 13 42.4 0.1 . 1 . . . . 60 . . . 5462 1 263 . 1 1 61 61 GLU H H 1 7.67 0.02 . 1 . . . . 61 . . . 5462 1 264 . 1 1 61 61 GLU N N 15 116.1 0.1 . 1 . . . . 61 . . . 5462 1 265 . 1 1 61 61 GLU C C 13 175.3 0.1 . 1 . . . . 61 . . . 5462 1 266 . 1 1 61 61 GLU CA C 13 54.6 0.1 . 1 . . . . 61 . . . 5462 1 267 . 1 1 61 61 GLU CB C 13 33.6 0.1 . 1 . . . . 61 . . . 5462 1 268 . 1 1 62 62 GLY H H 1 8.05 0.02 . 1 . . . . 62 . . . 5462 1 269 . 1 1 62 62 GLY N N 15 109.4 0.1 . 1 . . . . 62 . . . 5462 1 270 . 1 1 62 62 GLY C C 13 173.8 0.1 . 1 . . . . 62 . . . 5462 1 271 . 1 1 62 62 GLY CA C 13 44.7 0.1 . 1 . . . . 62 . . . 5462 1 272 . 1 1 63 63 ARG H H 1 7.44 0.02 . 1 . . . . 63 . . . 5462 1 273 . 1 1 63 63 ARG N N 15 114.6 0.1 . 1 . . . . 63 . . . 5462 1 274 . 1 1 63 63 ARG C C 13 174.9 0.1 . 1 . . . . 63 . . . 5462 1 275 . 1 1 63 63 ARG CA C 13 53.6 0.1 . 1 . . . . 63 . . . 5462 1 276 . 1 1 63 63 ARG CB C 13 36.5 0.1 . 1 . . . . 63 . . . 5462 1 277 . 1 1 64 64 VAL H H 1 8.52 0.02 . 1 . . . . 64 . . . 5462 1 278 . 1 1 64 64 VAL N N 15 123.5 0.1 . 1 . . . . 64 . . . 5462 1 279 . 1 1 64 64 VAL C C 13 173.4 0.1 . 1 . . . . 64 . . . 5462 1 280 . 1 1 64 64 VAL CA C 13 61.3 0.1 . 1 . . . . 64 . . . 5462 1 281 . 1 1 64 64 VAL CB C 13 33.8 0.1 . 1 . . . . 64 . . . 5462 1 282 . 1 1 65 65 TYR H H 1 8.86 0.02 . 1 . . . . 65 . . . 5462 1 283 . 1 1 65 65 TYR N N 15 123.7 0.1 . 1 . . . . 65 . . . 5462 1 284 . 1 1 65 65 TYR C C 13 175.5 0.1 . 1 . . . . 65 . . . 5462 1 285 . 1 1 65 65 TYR CA C 13 55.8 0.1 . 1 . . . . 65 . . . 5462 1 286 . 1 1 65 65 TYR CB C 13 41.9 0.1 . 1 . . . . 65 . . . 5462 1 287 . 1 1 66 66 PHE H H 1 9.19 0.02 . 1 . . . . 66 . . . 5462 1 288 . 1 1 66 66 PHE N N 15 124.7 0.1 . 1 . . . . 66 . . . 5462 1 289 . 1 1 66 66 PHE C C 13 175.7 0.1 . 1 . . . . 66 . . . 5462 1 290 . 1 1 66 66 PHE CA C 13 55.7 0.1 . 1 . . . . 66 . . . 5462 1 291 . 1 1 66 66 PHE CB C 13 43.1 0.1 . 1 . . . . 66 . . . 5462 1 292 . 1 1 67 67 GLU H H 1 9.00 0.02 . 1 . . . . 67 . . . 5462 1 293 . 1 1 67 67 GLU N N 15 127.8 0.1 . 1 . . . . 67 . . . 5462 1 294 . 1 1 67 67 GLU C C 13 176.2 0.1 . 1 . . . . 67 . . . 5462 1 295 . 1 1 67 67 GLU CA C 13 57.6 0.1 . 1 . . . . 67 . . . 5462 1 296 . 1 1 67 67 GLU CB C 13 26.9 0.1 . 1 . . . . 67 . . . 5462 1 297 . 1 1 68 68 ASN H H 1 8.78 0.02 . 1 . . . . 68 . . . 5462 1 298 . 1 1 68 68 ASN N N 15 110.8 0.1 . 1 . . . . 68 . . . 5462 1 299 . 1 1 68 68 ASN C C 13 174.4 0.1 . 1 . . . . 68 . . . 5462 1 300 . 1 1 68 68 ASN CA C 13 54.9 0.1 . 1 . . . . 68 . . . 5462 1 301 . 1 1 68 68 ASN CB C 13 38.1 0.1 . 1 . . . . 68 . . . 5462 1 302 . 1 1 69 69 LYS H H 1 7.99 0.02 . 1 . . . . 69 . . . 5462 1 303 . 1 1 69 69 LYS N N 15 122 0.1 . 1 . . . . 69 . . . 5462 1 304 . 1 1 69 69 LYS C C 13 175.9 0.1 . 1 . . . . 69 . . . 5462 1 305 . 1 1 69 69 LYS CA C 13 54.9 0.1 . 1 . . . . 69 . . . 5462 1 306 . 1 1 69 69 LYS CB C 13 32.9 0.1 . 1 . . . . 69 . . . 5462 1 307 . 1 1 70 70 ASP H H 1 8.48 0.02 . 1 . . . . 70 . . . 5462 1 308 . 1 1 70 70 ASP N N 15 124.6 0.1 . 1 . . . . 70 . . . 5462 1 309 . 1 1 70 70 ASP C C 13 177.7 0.1 . 1 . . . . 70 . . . 5462 1 310 . 1 1 70 70 ASP CA C 13 54.4 0.1 . 1 . . . . 70 . . . 5462 1 311 . 1 1 70 70 ASP CB C 13 40 0.1 . 1 . . . . 70 . . . 5462 1 312 . 1 1 71 71 ILE H H 1 8.53 0.02 . 1 . . . . 71 . . . 5462 1 313 . 1 1 71 71 ILE N N 15 124 0.1 . 1 . . . . 71 . . . 5462 1 314 . 1 1 71 71 ILE C C 13 175.5 0.1 . 1 . . . . 71 . . . 5462 1 315 . 1 1 71 71 ILE CA C 13 60.6 0.1 . 1 . . . . 71 . . . 5462 1 316 . 1 1 71 71 ILE CB C 13 36.8 0.1 . 1 . . . . 71 . . . 5462 1 317 . 1 1 72 72 THR H H 1 8.20 0.02 . 1 . . . . 72 . . . 5462 1 318 . 1 1 72 72 THR N N 15 122.5 0.1 . 1 . . . . 72 . . . 5462 1 319 . 1 1 72 72 THR C C 13 175.8 0.1 . 1 . . . . 72 . . . 5462 1 320 . 1 1 72 72 THR CA C 13 65.4 0.1 . 1 . . . . 72 . . . 5462 1 321 . 1 1 72 72 THR CB C 13 68.7 0.1 . 1 . . . . 72 . . . 5462 1 322 . 1 1 73 73 ASN H H 1 9.47 0.02 . 1 . . . . 73 . . . 5462 1 323 . 1 1 73 73 ASN N N 15 123.8 0.1 . 1 . . . . 73 . . . 5462 1 324 . 1 1 73 73 ASN C C 13 175.4 0.1 . 1 . . . . 73 . . . 5462 1 325 . 1 1 73 73 ASN CA C 13 54 0.1 . 1 . . . . 73 . . . 5462 1 326 . 1 1 73 73 ASN CB C 13 35.7 0.1 . 1 . . . . 73 . . . 5462 1 327 . 1 1 74 74 LYS H H 1 7.08 0.02 . 1 . . . . 74 . . . 5462 1 328 . 1 1 74 74 LYS N N 15 120.3 0.1 . 1 . . . . 74 . . . 5462 1 329 . 1 1 74 74 LYS C C 13 175.7 0.1 . 1 . . . . 74 . . . 5462 1 330 . 1 1 74 74 LYS CA C 13 56.1 0.1 . 1 . . . . 74 . . . 5462 1 331 . 1 1 74 74 LYS CB C 13 32.9 0.1 . 1 . . . . 74 . . . 5462 1 332 . 1 1 75 75 GLU H H 1 8.41 0.02 . 1 . . . . 75 . . . 5462 1 333 . 1 1 75 75 GLU N N 15 119.2 0.1 . 1 . . . . 75 . . . 5462 1 334 . 1 1 75 75 GLU C C 13 176.4 0.1 . 1 . . . . 75 . . . 5462 1 335 . 1 1 75 75 GLU CA C 13 54.3 0.1 . 1 . . . . 75 . . . 5462 1 336 . 1 1 75 75 GLU CB C 13 28 0.1 . 1 . . . . 75 . . . 5462 1 337 . 1 1 76 76 PRO C C 13 179.2 0.1 . 1 . . . . 76 . . . 5462 1 338 . 1 1 76 76 PRO CA C 13 66.06 0.1 . 1 . . . . 76 . . . 5462 1 339 . 1 1 76 76 PRO CB C 13 31.56 0.1 . 1 . . . . 76 . . . 5462 1 340 . 1 1 77 77 ALA H H 1 8.24 0.02 . 1 . . . . 77 . . . 5462 1 341 . 1 1 77 77 ALA N N 15 117.7 0.1 . 1 . . . . 77 . . . 5462 1 342 . 1 1 77 77 ALA C C 13 180.1 0.1 . 1 . . . . 77 . . . 5462 1 343 . 1 1 77 77 ALA CA C 13 54.8 0.1 . 1 . . . . 77 . . . 5462 1 344 . 1 1 77 77 ALA CB C 13 18.1 0.1 . 1 . . . . 77 . . . 5462 1 345 . 1 1 78 78 GLU H H 1 7.10 0.02 . 1 . . . . 78 . . . 5462 1 346 . 1 1 78 78 GLU N N 15 117.4 0.1 . 1 . . . . 78 . . . 5462 1 347 . 1 1 78 78 GLU C C 13 179.1 0.1 . 1 . . . . 78 . . . 5462 1 348 . 1 1 78 78 GLU CA C 13 58.3 0.1 . 1 . . . . 78 . . . 5462 1 349 . 1 1 78 78 GLU CB C 13 29.6 0.1 . 1 . . . . 78 . . . 5462 1 350 . 1 1 79 79 LEU H H 1 7.48 0.02 . 1 . . . . 79 . . . 5462 1 351 . 1 1 79 79 LEU N N 15 119.5 0.1 . 1 . . . . 79 . . . 5462 1 352 . 1 1 79 79 LEU C C 13 179.5 0.1 . 1 . . . . 79 . . . 5462 1 353 . 1 1 79 79 LEU CA C 13 57.7 0.1 . 1 . . . . 79 . . . 5462 1 354 . 1 1 79 79 LEU CB C 13 39.7 0.1 . 1 . . . . 79 . . . 5462 1 355 . 1 1 80 80 TYR H H 1 7.79 0.02 . 1 . . . . 80 . . . 5462 1 356 . 1 1 80 80 TYR N N 15 121.6 0.1 . 1 . . . . 80 . . . 5462 1 357 . 1 1 80 80 TYR C C 13 179.8 0.1 . 1 . . . . 80 . . . 5462 1 358 . 1 1 80 80 TYR CA C 13 60.5 0.1 . 1 . . . . 80 . . . 5462 1 359 . 1 1 80 80 TYR CB C 13 37.5 0.1 . 1 . . . . 80 . . . 5462 1 360 . 1 1 81 81 HIS H H 1 7.19 0.02 . 1 . . . . 81 . . . 5462 1 361 . 1 1 81 81 HIS N N 15 119.3 0.1 . 1 . . . . 81 . . . 5462 1 362 . 1 1 81 81 HIS C C 13 177.2 0.1 . 1 . . . . 81 . . . 5462 1 363 . 1 1 81 81 HIS CA C 13 58.4 0.1 . 1 . . . . 81 . . . 5462 1 364 . 1 1 81 81 HIS CB C 13 29.2 0.1 . 1 . . . . 81 . . . 5462 1 365 . 1 1 82 82 TYR H H 1 7.46 0.02 . 1 . . . . 82 . . . 5462 1 366 . 1 1 82 82 TYR N N 15 118.5 0.1 . 1 . . . . 82 . . . 5462 1 367 . 1 1 82 82 TYR C C 13 176.1 0.1 . 1 . . . . 82 . . . 5462 1 368 . 1 1 82 82 TYR CA C 13 58.4 0.1 . 1 . . . . 82 . . . 5462 1 369 . 1 1 82 82 TYR CB C 13 37.5 0.1 . 1 . . . . 82 . . . 5462 1 370 . 1 1 83 83 GLY H H 1 7.46 0.02 . 1 . . . . 83 . . . 5462 1 371 . 1 1 83 83 GLY N N 15 104.7 0.1 . 1 . . . . 83 . . . 5462 1 372 . 1 1 83 83 GLY C C 13 174.1 0.1 . 1 . . . . 83 . . . 5462 1 373 . 1 1 83 83 GLY CA C 13 45.2 0.1 . 1 . . . . 83 . . . 5462 1 374 . 1 1 84 84 ILE H H 1 7.18 0.02 . 1 . . . . 84 . . . 5462 1 375 . 1 1 84 84 ILE N N 15 123.4 0.1 . 1 . . . . 84 . . . 5462 1 376 . 1 1 84 84 ILE C C 13 173.5 0.1 . 1 . . . . 84 . . . 5462 1 377 . 1 1 84 84 ILE CA C 13 60.5 0.1 . 1 . . . . 84 . . . 5462 1 378 . 1 1 84 84 ILE CB C 13 38.3 0.1 . 1 . . . . 84 . . . 5462 1 379 . 1 1 85 85 VAL H H 1 7.94 0.02 . 1 . . . . 85 . . . 5462 1 380 . 1 1 85 85 VAL N N 15 124.6 0.1 . 1 . . . . 85 . . . 5462 1 381 . 1 1 85 85 VAL C C 13 172.9 0.1 . 1 . . . . 85 . . . 5462 1 382 . 1 1 85 85 VAL CA C 13 59.8 0.1 . 1 . . . . 85 . . . 5462 1 383 . 1 1 85 85 VAL CB C 13 35.1 0.1 . 1 . . . . 85 . . . 5462 1 384 . 1 1 86 86 ARG H H 1 8.21 0.02 . 1 . . . . 86 . . . 5462 1 385 . 1 1 86 86 ARG N N 15 125.7 0.1 . 1 . . . . 86 . . . 5462 1 386 . 1 1 86 86 ARG C C 13 177.7 0.1 . 1 . . . . 86 . . . 5462 1 387 . 1 1 86 86 ARG CA C 13 53.2 0.1 . 1 . . . . 86 . . . 5462 1 388 . 1 1 86 86 ARG CB C 13 32.6 0.1 . 1 . . . . 86 . . . 5462 1 389 . 1 1 87 87 THR H H 1 7.92 0.02 . 1 . . . . 87 . . . 5462 1 390 . 1 1 87 87 THR N N 15 114.2 0.1 . 1 . . . . 87 . . . 5462 1 391 . 1 1 87 87 THR C C 13 174 0.1 . 1 . . . . 87 . . . 5462 1 392 . 1 1 87 87 THR CA C 13 61.3 0.1 . 1 . . . . 87 . . . 5462 1 393 . 1 1 87 87 THR CB C 13 69.1 0.1 . 1 . . . . 87 . . . 5462 1 394 . 1 1 88 88 PHE H H 1 7.98 0.02 . 1 . . . . 88 . . . 5462 1 395 . 1 1 88 88 PHE N N 15 118.6 0.1 . 1 . . . . 88 . . . 5462 1 396 . 1 1 88 88 PHE C C 13 174.1 0.1 . 1 . . . . 88 . . . 5462 1 397 . 1 1 88 88 PHE CA C 13 56.1 0.1 . 1 . . . . 88 . . . 5462 1 398 . 1 1 88 88 PHE CB C 13 41.4 0.1 . 1 . . . . 88 . . . 5462 1 399 . 1 1 89 89 GLN H H 1 8.15 0.02 . 1 . . . . 89 . . . 5462 1 400 . 1 1 89 89 GLN N N 15 122.1 0.1 . 1 . . . . 89 . . . 5462 1 401 . 1 1 89 89 GLN C C 13 177.2 0.1 . 1 . . . . 89 . . . 5462 1 402 . 1 1 89 89 GLN CA C 13 55.6 0.1 . 1 . . . . 89 . . . 5462 1 403 . 1 1 89 89 GLN CB C 13 28.1 0.1 . 1 . . . . 89 . . . 5462 1 404 . 1 1 90 90 THR H H 1 8.33 0.02 . 1 . . . . 90 . . . 5462 1 405 . 1 1 90 90 THR N N 15 126.4 0.1 . 1 . . . . 90 . . . 5462 1 406 . 1 1 90 90 THR C C 13 172.4 0.1 . 1 . . . . 90 . . . 5462 1 407 . 1 1 90 90 THR CA C 13 62.4 0.1 . 1 . . . . 90 . . . 5462 1 408 . 1 1 90 90 THR CB C 13 69.6 0.1 . 1 . . . . 90 . . . 5462 1 409 . 1 1 93 93 PRO C C 13 179.1 0.1 . 1 . . . . 93 . . . 5462 1 410 . 1 1 93 93 PRO CA C 13 65.86 0.1 . 1 . . . . 93 . . . 5462 1 411 . 1 1 93 93 PRO CB C 13 30.32 0.1 . 1 . . . . 93 . . . 5462 1 412 . 1 1 94 94 LEU H H 1 6.87 0.02 . 1 . . . . 94 . . . 5462 1 413 . 1 1 94 94 LEU N N 15 116.3 0.1 . 1 . . . . 94 . . . 5462 1 414 . 1 1 94 94 LEU C C 13 179.7 0.1 . 1 . . . . 94 . . . 5462 1 415 . 1 1 94 94 LEU CA C 13 56.4 0.1 . 1 . . . . 94 . . . 5462 1 416 . 1 1 94 94 LEU CB C 13 40 0.1 . 1 . . . . 94 . . . 5462 1 417 . 1 1 95 95 LYS H H 1 7.70 0.02 . 1 . . . . 95 . . . 5462 1 418 . 1 1 95 95 LYS N N 15 121.6 0.1 . 1 . . . . 95 . . . 5462 1 419 . 1 1 95 95 LYS C C 13 177 0.1 . 1 . . . . 95 . . . 5462 1 420 . 1 1 95 95 LYS CA C 13 59 0.1 . 1 . . . . 95 . . . 5462 1 421 . 1 1 95 95 LYS CB C 13 31.1 0.1 . 1 . . . . 95 . . . 5462 1 422 . 1 1 96 96 GLU H H 1 6.70 0.02 . 1 . . . . 96 . . . 5462 1 423 . 1 1 96 96 GLU N N 15 115.8 0.1 . 1 . . . . 96 . . . 5462 1 424 . 1 1 96 96 GLU C C 13 176.3 0.1 . 1 . . . . 96 . . . 5462 1 425 . 1 1 96 96 GLU CA C 13 55.8 0.1 . 1 . . . . 96 . . . 5462 1 426 . 1 1 96 96 GLU CB C 13 29.4 0.1 . 1 . . . . 96 . . . 5462 1 427 . 1 1 97 97 MET H H 1 6.93 0.02 . 1 . . . . 97 . . . 5462 1 428 . 1 1 97 97 MET N N 15 119.4 0.1 . 1 . . . . 97 . . . 5462 1 429 . 1 1 97 97 MET C C 13 175.8 0.1 . 1 . . . . 97 . . . 5462 1 430 . 1 1 97 97 MET CA C 13 54.5 0.1 . 1 . . . . 97 . . . 5462 1 431 . 1 1 97 97 MET CB C 13 33.6 0.1 . 1 . . . . 97 . . . 5462 1 432 . 1 1 98 98 THR H H 1 8.80 0.02 . 1 . . . . 98 . . . 5462 1 433 . 1 1 98 98 THR N N 15 111.2 0.1 . 1 . . . . 98 . . . 5462 1 434 . 1 1 98 98 THR C C 13 177.8 0.1 . 1 . . . . 98 . . . 5462 1 435 . 1 1 98 98 THR CA C 13 61.5 0.1 . 1 . . . . 98 . . . 5462 1 436 . 1 1 98 98 THR CB C 13 71.7 0.1 . 1 . . . . 98 . . . 5462 1 437 . 1 1 99 99 VAL H H 1 8.13 0.02 . 1 . . . . 99 . . . 5462 1 438 . 1 1 99 99 VAL N N 15 124.7 0.1 . 1 . . . . 99 . . . 5462 1 439 . 1 1 99 99 VAL C C 13 177.3 0.1 . 1 . . . . 99 . . . 5462 1 440 . 1 1 99 99 VAL CA C 13 68.2 0.1 . 1 . . . . 99 . . . 5462 1 441 . 1 1 99 99 VAL CB C 13 31 0.1 . 1 . . . . 99 . . . 5462 1 442 . 1 1 100 100 LEU H H 1 8.15 0.02 . 1 . . . . 100 . . . 5462 1 443 . 1 1 100 100 LEU N N 15 118.5 0.1 . 1 . . . . 100 . . . 5462 1 444 . 1 1 100 100 LEU C C 13 179.6 0.1 . 1 . . . . 100 . . . 5462 1 445 . 1 1 100 100 LEU CA C 13 58.9 0.1 . 1 . . . . 100 . . . 5462 1 446 . 1 1 100 100 LEU CB C 13 41.9 0.1 . 1 . . . . 100 . . . 5462 1 447 . 1 1 101 101 GLU H H 1 7.78 0.02 . 1 . . . . 101 . . . 5462 1 448 . 1 1 101 101 GLU N N 15 119 0.1 . 1 . . . . 101 . . . 5462 1 449 . 1 1 101 101 GLU C C 13 178.1 0.1 . 1 . . . . 101 . . . 5462 1 450 . 1 1 101 101 GLU CA C 13 59.9 0.1 . 1 . . . . 101 . . . 5462 1 451 . 1 1 101 101 GLU CB C 13 29.1 0.1 . 1 . . . . 101 . . . 5462 1 452 . 1 1 102 102 ASN H H 1 7.93 0.02 . 1 . . . . 102 . . . 5462 1 453 . 1 1 102 102 ASN N N 15 117 0.1 . 1 . . . . 102 . . . 5462 1 454 . 1 1 102 102 ASN C C 13 176.7 0.1 . 1 . . . . 102 . . . 5462 1 455 . 1 1 102 102 ASN CA C 13 57.3 0.1 . 1 . . . . 102 . . . 5462 1 456 . 1 1 102 102 ASN CB C 13 40.9 0.1 . 1 . . . . 102 . . . 5462 1 457 . 1 1 103 103 LEU H H 1 7.35 0.02 . 1 . . . . 103 . . . 5462 1 458 . 1 1 103 103 LEU N N 15 120.3 0.1 . 1 . . . . 103 . . . 5462 1 459 . 1 1 103 103 LEU C C 13 178.3 0.1 . 1 . . . . 103 . . . 5462 1 460 . 1 1 103 103 LEU CA C 13 58.2 0.1 . 1 . . . . 103 . . . 5462 1 461 . 1 1 103 103 LEU CB C 13 40.8 0.1 . 1 . . . . 103 . . . 5462 1 462 . 1 1 104 104 LEU C C 13 178.5 0.1 . 1 . . . . 104 . . . 5462 1 463 . 1 1 104 104 LEU CA C 13 56.86 0.1 . 1 . . . . 104 . . . 5462 1 464 . 1 1 104 104 LEU CB C 13 40.93 0.1 . 1 . . . . 104 . . . 5462 1 465 . 1 1 105 105 ILE H H 1 7.28 0.02 . 1 . . . . 105 . . . 5462 1 466 . 1 1 105 105 ILE N N 15 115.2 0.1 . 1 . . . . 105 . . . 5462 1 467 . 1 1 105 105 ILE C C 13 176.6 0.1 . 1 . . . . 105 . . . 5462 1 468 . 1 1 105 105 ILE CA C 13 62.5 0.1 . 1 . . . . 105 . . . 5462 1 469 . 1 1 105 105 ILE CB C 13 37.5 0.1 . 1 . . . . 105 . . . 5462 1 470 . 1 1 106 106 GLY H H 1 7.87 0.02 . 1 . . . . 106 . . . 5462 1 471 . 1 1 106 106 GLY N N 15 110.6 0.1 . 1 . . . . 106 . . . 5462 1 472 . 1 1 106 106 GLY C C 13 173.9 0.1 . 1 . . . . 106 . . . 5462 1 473 . 1 1 106 106 GLY CA C 13 45.7 0.1 . 1 . . . . 106 . . . 5462 1 474 . 1 1 107 107 GLU H H 1 7.46 0.02 . 1 . . . . 107 . . . 5462 1 475 . 1 1 107 107 GLU N N 15 119.9 0.1 . 1 . . . . 107 . . . 5462 1 476 . 1 1 107 107 GLU C C 13 176.2 0.1 . 1 . . . . 107 . . . 5462 1 477 . 1 1 107 107 GLU CA C 13 56.2 0.1 . 1 . . . . 107 . . . 5462 1 478 . 1 1 107 107 GLU CB C 13 29.8 0.1 . 1 . . . . 107 . . . 5462 1 479 . 1 1 110 110 PRO C C 13 176.5 0.1 . 1 . . . . 110 . . . 5462 1 480 . 1 1 110 110 PRO CA C 13 62.3 0.1 . 1 . . . . 110 . . . 5462 1 481 . 1 1 110 110 PRO CB C 13 37.6 0.1 . 1 . . . . 110 . . . 5462 1 482 . 1 1 111 111 GLY H H 1 7.82 0.02 . 1 . . . . 111 . . . 5462 1 483 . 1 1 111 111 GLY N N 15 110.8 0.1 . 1 . . . . 111 . . . 5462 1 484 . 1 1 111 111 GLY C C 13 173.8 0.1 . 1 . . . . 111 . . . 5462 1 485 . 1 1 111 111 GLY CA C 13 45.7 0.1 . 1 . . . . 111 . . . 5462 1 486 . 1 1 112 112 GLU H H 1 7.55 0.02 . 1 . . . . 112 . . . 5462 1 487 . 1 1 112 112 GLU N N 15 120.3 0.1 . 1 . . . . 112 . . . 5462 1 488 . 1 1 112 112 GLU C C 13 176.2 0.1 . 1 . . . . 112 . . . 5462 1 489 . 1 1 112 112 GLU CA C 13 56.1 0.1 . 1 . . . . 112 . . . 5462 1 490 . 1 1 112 112 GLU CB C 13 29.8 0.1 . 1 . . . . 112 . . . 5462 1 491 . 1 1 113 113 SER H H 1 7.84 0.02 . 1 . . . . 113 . . . 5462 1 492 . 1 1 113 113 SER N N 15 117.6 0.1 . 1 . . . . 113 . . . 5462 1 493 . 1 1 113 113 SER C C 13 176.4 0.1 . 1 . . . . 113 . . . 5462 1 494 . 1 1 113 113 SER CA C 13 55.8 0.1 . 1 . . . . 113 . . . 5462 1 495 . 1 1 113 113 SER CB C 13 63.7 0.1 . 1 . . . . 113 . . . 5462 1 496 . 1 1 114 114 PRO C C 13 176.4 0.1 . 1 . . . . 114 . . . 5462 1 497 . 1 1 114 114 PRO CA C 13 63 0.1 . 1 . . . . 114 . . . 5462 1 498 . 1 1 114 114 PRO CB C 13 31.39 0.1 . 1 . . . . 114 . . . 5462 1 499 . 1 1 115 115 LEU H H 1 7.69 0.02 . 1 . . . . 115 . . . 5462 1 500 . 1 1 115 115 LEU N N 15 122.2 0.1 . 1 . . . . 115 . . . 5462 1 501 . 1 1 115 115 LEU C C 13 176 0.1 . 1 . . . . 115 . . . 5462 1 502 . 1 1 115 115 LEU CA C 13 54.8 0.1 . 1 . . . . 115 . . . 5462 1 503 . 1 1 115 115 LEU CB C 13 41.5 0.1 . 1 . . . . 115 . . . 5462 1 504 . 1 1 116 116 ASN H H 1 7.58 0.02 . 1 . . . . 116 . . . 5462 1 505 . 1 1 116 116 ASN N N 15 125.3 0.1 . 1 . . . . 116 . . . 5462 1 506 . 1 1 116 116 ASN C C 13 173.9 0.1 . 1 . . . . 116 . . . 5462 1 507 . 1 1 116 116 ASN CA C 13 53.8 0.1 . 1 . . . . 116 . . . 5462 1 508 . 1 1 116 116 ASN CB C 13 45.9 0.1 . 1 . . . . 116 . . . 5462 1 509 . 1 1 118 118 LEU C C 13 174.8 0.1 . 1 . . . . 118 . . . 5462 1 510 . 1 1 118 118 LEU CA C 13 59.36 0.1 . 1 . . . . 118 . . . 5462 1 511 . 1 1 118 118 LEU CB C 13 41.56 0.1 . 1 . . . . 118 . . . 5462 1 512 . 1 1 119 119 PHE H H 1 7.76 0.02 . 1 . . . . 119 . . . 5462 1 513 . 1 1 119 119 PHE N N 15 121.3 0.1 . 1 . . . . 119 . . . 5462 1 514 . 1 1 119 119 PHE C C 13 175.1 0.1 . 1 . . . . 119 . . . 5462 1 515 . 1 1 119 119 PHE CA C 13 59 0.1 . 1 . . . . 119 . . . 5462 1 516 . 1 1 119 119 PHE CB C 13 40 0.1 . 1 . . . . 119 . . . 5462 1 517 . 1 1 120 120 TYR H H 1 7.79 0.02 . 1 . . . . 120 . . . 5462 1 518 . 1 1 120 120 TYR N N 15 123.8 0.1 . 1 . . . . 120 . . . 5462 1 519 . 1 1 120 120 TYR C C 13 174.5 0.1 . 1 . . . . 120 . . . 5462 1 520 . 1 1 120 120 TYR CA C 13 55.2 0.1 . 1 . . . . 120 . . . 5462 1 521 . 1 1 120 120 TYR CB C 13 34.9 0.1 . 1 . . . . 120 . . . 5462 1 522 . 1 1 121 121 LYS H H 1 9.19 0.02 . 1 . . . . 121 . . . 5462 1 523 . 1 1 121 121 LYS N N 15 122 0.1 . 1 . . . . 121 . . . 5462 1 524 . 1 1 121 121 LYS C C 13 175.8 0.1 . 1 . . . . 121 . . . 5462 1 525 . 1 1 121 121 LYS CA C 13 58 0.1 . 1 . . . . 121 . . . 5462 1 526 . 1 1 121 121 LYS CB C 13 31 0.1 . 1 . . . . 121 . . . 5462 1 527 . 1 1 122 122 LYS H H 1 8.17 0.02 . 1 . . . . 122 . . . 5462 1 528 . 1 1 122 122 LYS N N 15 119.2 0.1 . 1 . . . . 122 . . . 5462 1 529 . 1 1 122 122 LYS C C 13 174.9 0.1 . 1 . . . . 122 . . . 5462 1 530 . 1 1 122 122 LYS CA C 13 54.7 0.1 . 1 . . . . 122 . . . 5462 1 531 . 1 1 122 122 LYS CB C 13 31 0.1 . 1 . . . . 122 . . . 5462 1 532 . 1 1 123 123 TRP H H 1 7.79 0.02 . 1 . . . . 123 . . . 5462 1 533 . 1 1 123 123 TRP N N 15 122.9 0.1 . 1 . . . . 123 . . . 5462 1 534 . 1 1 123 123 TRP C C 13 175.7 0.1 . 1 . . . . 123 . . . 5462 1 535 . 1 1 123 123 TRP CA C 13 55.1 0.1 . 1 . . . . 123 . . . 5462 1 536 . 1 1 123 123 TRP CB C 13 41.8 0.1 . 1 . . . . 123 . . . 5462 1 537 . 1 1 124 124 ILE H H 1 8.45 0.02 . 1 . . . . 124 . . . 5462 1 538 . 1 1 124 124 ILE N N 15 122 0.1 . 1 . . . . 124 . . . 5462 1 539 . 1 1 124 124 ILE C C 13 176.7 0.1 . 1 . . . . 124 . . . 5462 1 540 . 1 1 124 124 ILE CA C 13 55.2 0.1 . 1 . . . . 124 . . . 5462 1 541 . 1 1 124 124 ILE CB C 13 40 0.1 . 1 . . . . 124 . . . 5462 1 542 . 1 1 125 125 PRO C C 13 176.3 0.1 . 1 . . . . 125 . . . 5462 1 543 . 1 1 125 125 PRO CA C 13 63.06 0.1 . 1 . . . . 125 . . . 5462 1 544 . 1 1 125 125 PRO CB C 13 31.56 0.1 . 1 . . . . 125 . . . 5462 1 545 . 1 1 126 126 LYS H H 1 7.97 0.02 . 1 . . . . 126 . . . 5462 1 546 . 1 1 126 126 LYS N N 15 120.5 0.1 . 1 . . . . 126 . . . 5462 1 547 . 1 1 126 126 LYS C C 13 176.7 0.1 . 1 . . . . 126 . . . 5462 1 548 . 1 1 126 126 LYS CA C 13 55.2 0.1 . 1 . . . . 126 . . . 5462 1 549 . 1 1 126 126 LYS CB C 13 31.7 0.1 . 1 . . . . 126 . . . 5462 1 550 . 1 1 127 127 GLU H H 1 7.69 0.02 . 1 . . . . 127 . . . 5462 1 551 . 1 1 127 127 GLU N N 15 122.5 0.1 . 1 . . . . 127 . . . 5462 1 552 . 1 1 127 127 GLU C C 13 177.9 0.1 . 1 . . . . 127 . . . 5462 1 553 . 1 1 127 127 GLU CA C 13 57 0.1 . 1 . . . . 127 . . . 5462 1 554 . 1 1 127 127 GLU CB C 13 29.5 0.1 . 1 . . . . 127 . . . 5462 1 555 . 1 1 128 128 GLU H H 1 8.69 0.02 . 1 . . . . 128 . . . 5462 1 556 . 1 1 128 128 GLU N N 15 124.7 0.1 . 1 . . . . 128 . . . 5462 1 557 . 1 1 128 128 GLU C C 13 178.7 0.1 . 1 . . . . 128 . . . 5462 1 558 . 1 1 128 128 GLU CA C 13 60 0.1 . 1 . . . . 128 . . . 5462 1 559 . 1 1 128 128 GLU CB C 13 29 0.1 . 1 . . . . 128 . . . 5462 1 560 . 1 1 129 129 GLU H H 1 8.74 0.02 . 1 . . . . 129 . . . 5462 1 561 . 1 1 129 129 GLU N N 15 119.5 0.1 . 1 . . . . 129 . . . 5462 1 562 . 1 1 129 129 GLU C C 13 179.4 0.1 . 1 . . . . 129 . . . 5462 1 563 . 1 1 129 129 GLU CA C 13 59.2 0.1 . 1 . . . . 129 . . . 5462 1 564 . 1 1 129 129 GLU CB C 13 28.8 0.1 . 1 . . . . 129 . . . 5462 1 565 . 1 1 130 130 MET H H 1 7.35 0.02 . 1 . . . . 130 . . . 5462 1 566 . 1 1 130 130 MET N N 15 119.8 0.1 . 1 . . . . 130 . . . 5462 1 567 . 1 1 130 130 MET C C 13 177.8 0.1 . 1 . . . . 130 . . . 5462 1 568 . 1 1 130 130 MET CA C 13 57.9 0.1 . 1 . . . . 130 . . . 5462 1 569 . 1 1 130 130 MET CB C 13 31.7 0.1 . 1 . . . . 130 . . . 5462 1 570 . 1 1 131 131 VAL H H 1 7.65 0.02 . 1 . . . . 131 . . . 5462 1 571 . 1 1 131 131 VAL N N 15 121.5 0.1 . 1 . . . . 131 . . . 5462 1 572 . 1 1 131 131 VAL C C 13 177.7 0.1 . 1 . . . . 131 . . . 5462 1 573 . 1 1 131 131 VAL CA C 13 66.8 0.1 . 1 . . . . 131 . . . 5462 1 574 . 1 1 131 131 VAL CB C 13 31.1 0.1 . 1 . . . . 131 . . . 5462 1 575 . 1 1 132 132 GLU H H 1 7.83 0.02 . 1 . . . . 132 . . . 5462 1 576 . 1 1 132 132 GLU N N 15 120 0.1 . 1 . . . . 132 . . . 5462 1 577 . 1 1 132 132 GLU C C 13 179.4 0.1 . 1 . . . . 132 . . . 5462 1 578 . 1 1 132 132 GLU CA C 13 59.6 0.1 . 1 . . . . 132 . . . 5462 1 579 . 1 1 132 132 GLU CB C 13 28.8 0.1 . 1 . . . . 132 . . . 5462 1 580 . 1 1 133 133 LYS H H 1 7.39 0.02 . 1 . . . . 133 . . . 5462 1 581 . 1 1 133 133 LYS N N 15 121 0.1 . 1 . . . . 133 . . . 5462 1 582 . 1 1 133 133 LYS C C 13 178.8 0.1 . 1 . . . . 133 . . . 5462 1 583 . 1 1 133 133 LYS CA C 13 59.6 0.1 . 1 . . . . 133 . . . 5462 1 584 . 1 1 133 133 LYS CB C 13 31.9 0.1 . 1 . . . . 133 . . . 5462 1 585 . 1 1 134 134 ALA H H 1 7.93 0.02 . 1 . . . . 134 . . . 5462 1 586 . 1 1 134 134 ALA N N 15 122.3 0.1 . 1 . . . . 134 . . . 5462 1 587 . 1 1 134 134 ALA C C 13 180.1 0.1 . 1 . . . . 134 . . . 5462 1 588 . 1 1 134 134 ALA CA C 13 54.9 0.1 . 1 . . . . 134 . . . 5462 1 589 . 1 1 134 134 ALA CB C 13 18.1 0.1 . 1 . . . . 134 . . . 5462 1 590 . 1 1 135 135 PHE H H 1 8.39 0.02 . 1 . . . . 135 . . . 5462 1 591 . 1 1 135 135 PHE N N 15 118.5 0.1 . 1 . . . . 135 . . . 5462 1 592 . 1 1 135 135 PHE C C 13 179.3 0.1 . 1 . . . . 135 . . . 5462 1 593 . 1 1 135 135 PHE CA C 13 63.2 0.1 . 1 . . . . 135 . . . 5462 1 594 . 1 1 135 135 PHE CB C 13 38 0.1 . 1 . . . . 135 . . . 5462 1 595 . 1 1 136 136 LYS H H 1 7.85 0.02 . 1 . . . . 136 . . . 5462 1 596 . 1 1 136 136 LYS N N 15 121.5 0.1 . 1 . . . . 136 . . . 5462 1 597 . 1 1 136 136 LYS C C 13 180.8 0.1 . 1 . . . . 136 . . . 5462 1 598 . 1 1 136 136 LYS CA C 13 59.3 0.1 . 1 . . . . 136 . . . 5462 1 599 . 1 1 136 136 LYS CB C 13 31.1 0.1 . 1 . . . . 136 . . . 5462 1 600 . 1 1 137 137 ILE H H 1 7.78 0.02 . 1 . . . . 137 . . . 5462 1 601 . 1 1 137 137 ILE N N 15 124.3 0.1 . 1 . . . . 137 . . . 5462 1 602 . 1 1 137 137 ILE C C 13 178.2 0.1 . 1 . . . . 137 . . . 5462 1 603 . 1 1 137 137 ILE CA C 13 65.1 0.1 . 1 . . . . 137 . . . 5462 1 604 . 1 1 137 137 ILE CB C 13 36.8 0.1 . 1 . . . . 137 . . . 5462 1 605 . 1 1 138 138 LEU H H 1 8.37 0.02 . 1 . . . . 138 . . . 5462 1 606 . 1 1 138 138 LEU N N 15 119.8 0.1 . 1 . . . . 138 . . . 5462 1 607 . 1 1 138 138 LEU C C 13 179.5 0.1 . 1 . . . . 138 . . . 5462 1 608 . 1 1 138 138 LEU CA C 13 58.1 0.1 . 1 . . . . 138 . . . 5462 1 609 . 1 1 138 138 LEU CB C 13 40 0.1 . 1 . . . . 138 . . . 5462 1 610 . 1 1 139 139 GLU H H 1 8.18 0.02 . 1 . . . . 139 . . . 5462 1 611 . 1 1 139 139 GLU N N 15 121.2 0.1 . 1 . . . . 139 . . . 5462 1 612 . 1 1 139 139 GLU C C 13 180.2 0.1 . 1 . . . . 139 . . . 5462 1 613 . 1 1 139 139 GLU CA C 13 59.4 0.1 . 1 . . . . 139 . . . 5462 1 614 . 1 1 139 139 GLU CB C 13 28.8 0.1 . 1 . . . . 139 . . . 5462 1 615 . 1 1 140 140 PHE H H 1 7.68 0.02 . 1 . . . . 140 . . . 5462 1 616 . 1 1 140 140 PHE N N 15 124.4 0.1 . 1 . . . . 140 . . . 5462 1 617 . 1 1 140 140 PHE C C 13 176.4 0.1 . 1 . . . . 140 . . . 5462 1 618 . 1 1 140 140 PHE CA C 13 60.5 0.1 . 1 . . . . 140 . . . 5462 1 619 . 1 1 140 140 PHE CB C 13 38.1 0.1 . 1 . . . . 140 . . . 5462 1 620 . 1 1 141 141 LEU H H 1 7.51 0.02 . 1 . . . . 141 . . . 5462 1 621 . 1 1 141 141 LEU N N 15 116.3 0.1 . 1 . . . . 141 . . . 5462 1 622 . 1 1 141 141 LEU C C 13 174.1 0.1 . 1 . . . . 141 . . . 5462 1 623 . 1 1 141 141 LEU CA C 13 54.3 0.1 . 1 . . . . 141 . . . 5462 1 624 . 1 1 141 141 LEU CB C 13 41.6 0.1 . 1 . . . . 141 . . . 5462 1 625 . 1 1 142 142 LYS H H 1 7.50 0.02 . 1 . . . . 142 . . . 5462 1 626 . 1 1 142 142 LYS N N 15 114.7 0.1 . 1 . . . . 142 . . . 5462 1 627 . 1 1 142 142 LYS C C 13 176.7 0.1 . 1 . . . . 142 . . . 5462 1 628 . 1 1 142 142 LYS CA C 13 56.8 0.1 . 1 . . . . 142 . . . 5462 1 629 . 1 1 142 142 LYS CB C 13 27.8 0.1 . 1 . . . . 142 . . . 5462 1 630 . 1 1 143 143 LEU H H 1 8.22 0.02 . 1 . . . . 143 . . . 5462 1 631 . 1 1 143 143 LEU N N 15 115.4 0.1 . 1 . . . . 143 . . . 5462 1 632 . 1 1 143 143 LEU C C 13 178.8 0.1 . 1 . . . . 143 . . . 5462 1 633 . 1 1 143 143 LEU CA C 13 53.3 0.1 . 1 . . . . 143 . . . 5462 1 634 . 1 1 143 143 LEU CB C 13 45 0.1 . 1 . . . . 143 . . . 5462 1 635 . 1 1 144 144 SER H H 1 7.63 0.02 . 1 . . . . 144 . . . 5462 1 636 . 1 1 144 144 SER N N 15 117.1 0.1 . 1 . . . . 144 . . . 5462 1 637 . 1 1 144 144 SER C C 13 178.8 0.1 . 1 . . . . 144 . . . 5462 1 638 . 1 1 144 144 SER CA C 13 62.7 0.1 . 1 . . . . 144 . . . 5462 1 639 . 1 1 144 144 SER CB C 13 62.2 0.1 . 1 . . . . 144 . . . 5462 1 640 . 1 1 145 145 HIS C C 13 176.1 0.1 . 1 . . . . 145 . . . 5462 1 641 . 1 1 145 145 HIS CA C 13 57.56 0.1 . 1 . . . . 145 . . . 5462 1 642 . 1 1 145 145 HIS CB C 13 28.76 0.1 . 1 . . . . 145 . . . 5462 1 643 . 1 1 146 146 LEU H H 1 7.29 0.02 . 1 . . . . 146 . . . 5462 1 644 . 1 1 146 146 LEU N N 15 121.3 0.1 . 1 . . . . 146 . . . 5462 1 645 . 1 1 146 146 LEU C C 13 178.3 0.1 . 1 . . . . 146 . . . 5462 1 646 . 1 1 146 146 LEU CA C 13 53.3 0.1 . 1 . . . . 146 . . . 5462 1 647 . 1 1 146 146 LEU CB C 13 41.1 0.1 . 1 . . . . 146 . . . 5462 1 648 . 1 1 147 147 TYR H H 1 7.04 0.02 . 1 . . . . 147 . . . 5462 1 649 . 1 1 147 147 TYR N N 15 117.9 0.1 . 1 . . . . 147 . . . 5462 1 650 . 1 1 147 147 TYR C C 13 173.3 0.1 . 1 . . . . 147 . . . 5462 1 651 . 1 1 147 147 TYR CA C 13 61.1 0.1 . 1 . . . . 147 . . . 5462 1 652 . 1 1 147 147 TYR CB C 13 37.5 0.1 . 1 . . . . 147 . . . 5462 1 653 . 1 1 148 148 ASP H H 1 7.28 0.02 . 1 . . . . 148 . . . 5462 1 654 . 1 1 148 148 ASP N N 15 118.9 0.1 . 1 . . . . 148 . . . 5462 1 655 . 1 1 148 148 ASP C C 13 176.2 0.1 . 1 . . . . 148 . . . 5462 1 656 . 1 1 148 148 ASP CA C 13 51.7 0.1 . 1 . . . . 148 . . . 5462 1 657 . 1 1 148 148 ASP CB C 13 39.1 0.1 . 1 . . . . 148 . . . 5462 1 658 . 1 1 149 149 ARG H H 1 7.27 0.02 . 1 . . . . 149 . . . 5462 1 659 . 1 1 149 149 ARG N N 15 121.4 0.1 . 1 . . . . 149 . . . 5462 1 660 . 1 1 149 149 ARG C C 13 176.8 0.1 . 1 . . . . 149 . . . 5462 1 661 . 1 1 149 149 ARG CA C 13 53.2 0.1 . 1 . . . . 149 . . . 5462 1 662 . 1 1 149 149 ARG CB C 13 29 0.1 . 1 . . . . 149 . . . 5462 1 663 . 1 1 150 150 LYS H H 1 8.36 0.02 . 1 . . . . 150 . . . 5462 1 664 . 1 1 150 150 LYS N N 15 122.4 0.1 . 1 . . . . 150 . . . 5462 1 665 . 1 1 150 150 LYS C C 13 178.7 0.1 . 1 . . . . 150 . . . 5462 1 666 . 1 1 150 150 LYS CA C 13 56.7 0.1 . 1 . . . . 150 . . . 5462 1 667 . 1 1 150 150 LYS CB C 13 31.3 0.1 . 1 . . . . 150 . . . 5462 1 668 . 1 1 151 151 ALA H H 1 8.59 0.02 . 1 . . . . 151 . . . 5462 1 669 . 1 1 151 151 ALA N N 15 126.8 0.1 . 1 . . . . 151 . . . 5462 1 670 . 1 1 151 151 ALA C C 13 179.3 0.1 . 1 . . . . 151 . . . 5462 1 671 . 1 1 151 151 ALA CA C 13 54.6 0.1 . 1 . . . . 151 . . . 5462 1 672 . 1 1 151 151 ALA CB C 13 16.9 0.1 . 1 . . . . 151 . . . 5462 1 673 . 1 1 152 152 GLY H H 1 8.62 0.02 . 1 . . . . 152 . . . 5462 1 674 . 1 1 152 152 GLY N N 15 103.4 0.1 . 1 . . . . 152 . . . 5462 1 675 . 1 1 152 152 GLY C C 13 174.2 0.1 . 1 . . . . 152 . . . 5462 1 676 . 1 1 152 152 GLY CA C 13 45.9 0.1 . 1 . . . . 152 . . . 5462 1 677 . 1 1 153 153 GLU H H 1 7.63 0.02 . 1 . . . . 153 . . . 5462 1 678 . 1 1 153 153 GLU N N 15 119 0.1 . 1 . . . . 153 . . . 5462 1 679 . 1 1 153 153 GLU C C 13 177.1 0.1 . 1 . . . . 153 . . . 5462 1 680 . 1 1 153 153 GLU CA C 13 56.4 0.1 . 1 . . . . 153 . . . 5462 1 681 . 1 1 153 153 GLU CB C 13 29.4 0.1 . 1 . . . . 153 . . . 5462 1 682 . 1 1 154 154 LEU H H 1 7.11 0.02 . 1 . . . . 154 . . . 5462 1 683 . 1 1 154 154 LEU N N 15 121.4 0.1 . 1 . . . . 154 . . . 5462 1 684 . 1 1 154 154 LEU C C 13 177.9 0.1 . 1 . . . . 154 . . . 5462 1 685 . 1 1 154 154 LEU CA C 13 54.7 0.1 . 1 . . . . 154 . . . 5462 1 686 . 1 1 154 154 LEU CB C 13 40.9 0.1 . 1 . . . . 154 . . . 5462 1 687 . 1 1 155 155 SER H H 1 8.39 0.02 . 1 . . . . 155 . . . 5462 1 688 . 1 1 155 155 SER N N 15 117.3 0.1 . 1 . . . . 155 . . . 5462 1 689 . 1 1 155 155 SER C C 13 175.6 0.1 . 1 . . . . 155 . . . 5462 1 690 . 1 1 155 155 SER CA C 13 57.2 0.1 . 1 . . . . 155 . . . 5462 1 691 . 1 1 155 155 SER CB C 13 64.8 0.1 . 1 . . . . 155 . . . 5462 1 692 . 1 1 157 157 GLY C C 13 175.4 0.1 . 1 . . . . 157 . . . 5462 1 693 . 1 1 157 157 GLY CA C 13 47.26 0.1 . 1 . . . . 157 . . . 5462 1 694 . 1 1 158 158 GLN H H 1 7.26 0.02 . 1 . . . . 158 . . . 5462 1 695 . 1 1 158 158 GLN N N 15 120.9 0.1 . 1 . . . . 158 . . . 5462 1 696 . 1 1 158 158 GLN C C 13 178.6 0.1 . 1 . . . . 158 . . . 5462 1 697 . 1 1 158 158 GLN CA C 13 58.8 0.1 . 1 . . . . 158 . . . 5462 1 698 . 1 1 158 158 GLN CB C 13 28.5 0.1 . 1 . . . . 158 . . . 5462 1 699 . 1 1 159 159 MET H H 1 8.38 0.02 . 1 . . . . 159 . . . 5462 1 700 . 1 1 159 159 MET N N 15 120.1 0.1 . 1 . . . . 159 . . . 5462 1 701 . 1 1 159 159 MET C C 13 178.8 0.1 . 1 . . . . 159 . . . 5462 1 702 . 1 1 159 159 MET CA C 13 57.6 0.1 . 1 . . . . 159 . . . 5462 1 703 . 1 1 159 159 MET CB C 13 32.5 0.1 . 1 . . . . 159 . . . 5462 1 704 . 1 1 160 160 LYS H H 1 7.38 0.02 . 1 . . . . 160 . . . 5462 1 705 . 1 1 160 160 LYS N N 15 118.5 0.1 . 1 . . . . 160 . . . 5462 1 706 . 1 1 160 160 LYS C C 13 180 0.1 . 1 . . . . 160 . . . 5462 1 707 . 1 1 160 160 LYS CA C 13 57.4 0.1 . 1 . . . . 160 . . . 5462 1 708 . 1 1 160 160 LYS CB C 13 30.1 0.1 . 1 . . . . 160 . . . 5462 1 709 . 1 1 161 161 LEU H H 1 7.15 0.02 . 1 . . . . 161 . . . 5462 1 710 . 1 1 161 161 LEU N N 15 118.4 0.1 . 1 . . . . 161 . . . 5462 1 711 . 1 1 161 161 LEU C C 13 178.9 0.1 . 1 . . . . 161 . . . 5462 1 712 . 1 1 161 161 LEU CA C 13 57.7 0.1 . 1 . . . . 161 . . . 5462 1 713 . 1 1 161 161 LEU CB C 13 40.7 0.1 . 1 . . . . 161 . . . 5462 1 714 . 1 1 162 162 VAL H H 1 7.59 0.02 . 1 . . . . 162 . . . 5462 1 715 . 1 1 162 162 VAL N N 15 122.1 0.1 . 1 . . . . 162 . . . 5462 1 716 . 1 1 162 162 VAL C C 13 177.2 0.1 . 1 . . . . 162 . . . 5462 1 717 . 1 1 162 162 VAL CA C 13 66.9 0.1 . 1 . . . . 162 . . . 5462 1 718 . 1 1 162 162 VAL CB C 13 30.3 0.1 . 1 . . . . 162 . . . 5462 1 719 . 1 1 163 163 GLU H H 1 7.77 0.02 . 1 . . . . 163 . . . 5462 1 720 . 1 1 163 163 GLU N N 15 120.4 0.1 . 1 . . . . 163 . . . 5462 1 721 . 1 1 163 163 GLU C C 13 180.7 0.1 . 1 . . . . 163 . . . 5462 1 722 . 1 1 163 163 GLU CA C 13 59.6 0.1 . 1 . . . . 163 . . . 5462 1 723 . 1 1 163 163 GLU CB C 13 27.6 0.1 . 1 . . . . 163 . . . 5462 1 724 . 1 1 164 164 ILE H H 1 7.51 0.02 . 1 . . . . 164 . . . 5462 1 725 . 1 1 164 164 ILE N N 15 121.7 0.1 . 1 . . . . 164 . . . 5462 1 726 . 1 1 164 164 ILE C C 13 177.6 0.1 . 1 . . . . 164 . . . 5462 1 727 . 1 1 164 164 ILE CA C 13 65.7 0.1 . 1 . . . . 164 . . . 5462 1 728 . 1 1 164 164 ILE CB C 13 37.4 0.1 . 1 . . . . 164 . . . 5462 1 729 . 1 1 165 165 GLY H H 1 8.61 0.02 . 1 . . . . 165 . . . 5462 1 730 . 1 1 165 165 GLY N N 15 110 0.1 . 1 . . . . 165 . . . 5462 1 731 . 1 1 165 165 GLY C C 13 174.6 0.1 . 1 . . . . 165 . . . 5462 1 732 . 1 1 166 166 ARG H H 1 8.37 0.02 . 1 . . . . 166 . . . 5462 1 733 . 1 1 166 166 ARG N N 15 121.4 0.1 . 1 . . . . 166 . . . 5462 1 734 . 1 1 166 166 ARG C C 13 179 0.1 . 1 . . . . 166 . . . 5462 1 735 . 1 1 166 166 ARG CA C 13 59.7 0.1 . 1 . . . . 166 . . . 5462 1 736 . 1 1 166 166 ARG CB C 13 29.7 0.1 . 1 . . . . 166 . . . 5462 1 737 . 1 1 167 167 ALA H H 1 6.94 0.02 . 1 . . . . 167 . . . 5462 1 738 . 1 1 167 167 ALA N N 15 122 0.1 . 1 . . . . 167 . . . 5462 1 739 . 1 1 167 167 ALA C C 13 180 0.1 . 1 . . . . 167 . . . 5462 1 740 . 1 1 167 167 ALA CA C 13 54.4 0.1 . 1 . . . . 167 . . . 5462 1 741 . 1 1 167 167 ALA CB C 13 17.6 0.1 . 1 . . . . 167 . . . 5462 1 742 . 1 1 168 168 LEU H H 1 7.83 0.02 . 1 . . . . 168 . . . 5462 1 743 . 1 1 168 168 LEU N N 15 118.2 0.1 . 1 . . . . 168 . . . 5462 1 744 . 1 1 168 168 LEU C C 13 179.3 0.1 . 1 . . . . 168 . . . 5462 1 745 . 1 1 168 168 LEU CA C 13 56.4 0.1 . 1 . . . . 168 . . . 5462 1 746 . 1 1 168 168 LEU CB C 13 40.8 0.1 . 1 . . . . 168 . . . 5462 1 747 . 1 1 169 169 MET H H 1 7.25 0.02 . 1 . . . . 169 . . . 5462 1 748 . 1 1 169 169 MET N N 15 120.5 0.1 . 1 . . . . 169 . . . 5462 1 749 . 1 1 169 169 MET C C 13 177.1 0.1 . 1 . . . . 169 . . . 5462 1 750 . 1 1 169 169 MET CA C 13 56.9 0.1 . 1 . . . . 169 . . . 5462 1 751 . 1 1 169 169 MET CB C 13 30.7 0.1 . 1 . . . . 169 . . . 5462 1 752 . 1 1 170 170 THR H H 1 7.08 0.02 . 1 . . . . 170 . . . 5462 1 753 . 1 1 170 170 THR N N 15 107.6 0.1 . 1 . . . . 170 . . . 5462 1 754 . 1 1 170 170 THR C C 13 174.4 0.1 . 1 . . . . 170 . . . 5462 1 755 . 1 1 170 170 THR CA C 13 61.4 0.1 . 1 . . . . 170 . . . 5462 1 756 . 1 1 170 170 THR CB C 13 69.1 0.1 . 1 . . . . 170 . . . 5462 1 757 . 1 1 171 171 ASN H H 1 7.55 0.02 . 1 . . . . 171 . . . 5462 1 758 . 1 1 171 171 ASN N N 15 116.5 0.1 . 1 . . . . 171 . . . 5462 1 759 . 1 1 171 171 ASN C C 13 171.7 0.1 . 1 . . . . 171 . . . 5462 1 760 . 1 1 171 171 ASN CA C 13 53.7 0.1 . 1 . . . . 171 . . . 5462 1 761 . 1 1 171 171 ASN CB C 13 36.9 0.1 . 1 . . . . 171 . . . 5462 1 762 . 1 1 172 172 PRO C C 13 176.4 0.1 . 1 . . . . 172 . . . 5462 1 763 . 1 1 172 172 PRO CA C 13 63.06 0.1 . 1 . . . . 172 . . . 5462 1 764 . 1 1 172 172 PRO CB C 13 31.96 0.1 . 1 . . . . 172 . . . 5462 1 765 . 1 1 173 173 LYS H H 1 8.77 0.02 . 1 . . . . 173 . . . 5462 1 766 . 1 1 173 173 LYS N N 15 117.5 0.1 . 1 . . . . 173 . . . 5462 1 767 . 1 1 173 173 LYS C C 13 178 0.1 . 1 . . . . 173 . . . 5462 1 768 . 1 1 173 173 LYS CA C 13 57.2 0.1 . 1 . . . . 173 . . . 5462 1 769 . 1 1 173 173 LYS CB C 13 35.3 0.1 . 1 . . . . 173 . . . 5462 1 770 . 1 1 174 174 MET H H 1 8.21 0.02 . 1 . . . . 174 . . . 5462 1 771 . 1 1 174 174 MET N N 15 123.4 0.1 . 1 . . . . 174 . . . 5462 1 772 . 1 1 174 174 MET C C 13 172.6 0.1 . 1 . . . . 174 . . . 5462 1 773 . 1 1 174 174 MET CA C 13 53.9 0.1 . 1 . . . . 174 . . . 5462 1 774 . 1 1 174 174 MET CB C 13 36.3 0.1 . 1 . . . . 174 . . . 5462 1 775 . 1 1 175 175 ILE H H 1 7.97 0.02 . 1 . . . . 175 . . . 5462 1 776 . 1 1 175 175 ILE N N 15 126.6 0.1 . 1 . . . . 175 . . . 5462 1 777 . 1 1 175 175 ILE C C 13 174.3 0.1 . 1 . . . . 175 . . . 5462 1 778 . 1 1 175 175 ILE CA C 13 59.6 0.1 . 1 . . . . 175 . . . 5462 1 779 . 1 1 176 176 VAL H H 1 8.56 0.02 . 1 . . . . 176 . . . 5462 1 780 . 1 1 176 176 VAL N N 15 130 0.1 . 1 . . . . 176 . . . 5462 1 781 . 1 1 176 176 VAL C C 13 175.5 0.1 . 1 . . . . 176 . . . 5462 1 782 . 1 1 176 176 VAL CA C 13 59.8 0.1 . 1 . . . . 176 . . . 5462 1 783 . 1 1 177 177 MET H H 1 8.64 0.02 . 1 . . . . 177 . . . 5462 1 784 . 1 1 177 177 MET N N 15 124.6 0.1 . 1 . . . . 177 . . . 5462 1 785 . 1 1 177 177 MET C C 13 173.5 0.1 . 1 . . . . 177 . . . 5462 1 786 . 1 1 177 177 MET CA C 13 54.4 0.1 . 1 . . . . 177 . . . 5462 1 787 . 1 1 178 178 ASP H H 1 8.10 0.02 . 1 . . . . 178 . . . 5462 1 788 . 1 1 178 178 ASP N N 15 124.2 0.1 . 1 . . . . 178 . . . 5462 1 789 . 1 1 178 178 ASP C C 13 175 0.1 . 1 . . . . 178 . . . 5462 1 790 . 1 1 178 178 ASP CA C 13 52.7 0.1 . 1 . . . . 178 . . . 5462 1 791 . 1 1 178 178 ASP CB C 13 41.3 0.1 . 1 . . . . 178 . . . 5462 1 792 . 1 1 179 179 GLU H H 1 8.47 0.02 . 1 . . . . 179 . . . 5462 1 793 . 1 1 179 179 GLU N N 15 122.7 0.1 . 1 . . . . 179 . . . 5462 1 794 . 1 1 179 179 GLU C C 13 175 0.1 . 1 . . . . 179 . . . 5462 1 795 . 1 1 179 179 GLU CA C 13 56.8 0.1 . 1 . . . . 179 . . . 5462 1 796 . 1 1 179 179 GLU CB C 13 28 0.1 . 1 . . . . 179 . . . 5462 1 797 . 1 1 180 180 PRO C C 13 177 0.1 . 1 . . . . 180 . . . 5462 1 798 . 1 1 180 180 PRO CA C 13 64.46 0.1 . 1 . . . . 180 . . . 5462 1 799 . 1 1 180 180 PRO CB C 13 31.61 0.1 . 1 . . . . 180 . . . 5462 1 800 . 1 1 181 181 ILE H H 1 8.45 0.02 . 1 . . . . 181 . . . 5462 1 801 . 1 1 181 181 ILE N N 15 109.8 0.1 . 1 . . . . 181 . . . 5462 1 802 . 1 1 181 181 ILE C C 13 176.9 0.1 . 1 . . . . 181 . . . 5462 1 803 . 1 1 181 181 ILE CA C 13 59.4 0.1 . 1 . . . . 181 . . . 5462 1 804 . 1 1 181 181 ILE CB C 13 37.6 0.1 . 1 . . . . 181 . . . 5462 1 805 . 1 1 182 182 ALA H H 1 7.40 0.02 . 1 . . . . 182 . . . 5462 1 806 . 1 1 182 182 ALA N N 15 128.6 0.1 . 1 . . . . 182 . . . 5462 1 807 . 1 1 182 182 ALA C C 13 179.4 0.1 . 1 . . . . 182 . . . 5462 1 808 . 1 1 182 182 ALA CA C 13 54 0.1 . 1 . . . . 182 . . . 5462 1 809 . 1 1 182 182 ALA CB C 13 17.9 0.1 . 1 . . . . 182 . . . 5462 1 810 . 1 1 183 183 GLY H H 1 8.51 0.02 . 1 . . . . 183 . . . 5462 1 811 . 1 1 183 183 GLY N N 15 111.4 0.1 . 1 . . . . 183 . . . 5462 1 812 . 1 1 183 183 GLY C C 13 174.7 0.1 . 1 . . . . 183 . . . 5462 1 813 . 1 1 183 183 GLY CA C 13 45.7 0.1 . 1 . . . . 183 . . . 5462 1 814 . 1 1 184 184 VAL H H 1 7.22 0.02 . 1 . . . . 184 . . . 5462 1 815 . 1 1 184 184 VAL N N 15 118.9 0.1 . 1 . . . . 184 . . . 5462 1 816 . 1 1 184 184 VAL C C 13 175.4 0.1 . 1 . . . . 184 . . . 5462 1 817 . 1 1 184 184 VAL CA C 13 60.8 0.1 . 1 . . . . 184 . . . 5462 1 818 . 1 1 184 184 VAL CB C 13 32.5 0.1 . 1 . . . . 184 . . . 5462 1 819 . 1 1 185 185 ALA H H 1 8.07 0.02 . 1 . . . . 185 . . . 5462 1 820 . 1 1 185 185 ALA N N 15 129.9 0.1 . 1 . . . . 185 . . . 5462 1 821 . 1 1 185 185 ALA C C 13 176.4 0.1 . 1 . . . . 185 . . . 5462 1 822 . 1 1 185 185 ALA CA C 13 51 0.1 . 1 . . . . 185 . . . 5462 1 823 . 1 1 185 185 ALA CB C 13 17.1 0.1 . 1 . . . . 185 . . . 5462 1 824 . 1 1 187 187 GLY C C 13 176.5 0.1 . 1 . . . . 187 . . . 5462 1 825 . 1 1 187 187 GLY CA C 13 46.96 0.1 . 1 . . . . 187 . . . 5462 1 826 . 1 1 188 188 LEU H H 1 7.03 0.02 . 1 . . . . 188 . . . 5462 1 827 . 1 1 188 188 LEU N N 15 123 0.1 . 1 . . . . 188 . . . 5462 1 828 . 1 1 188 188 LEU C C 13 178.6 0.1 . 1 . . . . 188 . . . 5462 1 829 . 1 1 188 188 LEU CA C 13 56.41 0.1 . 1 . . . . 188 . . . 5462 1 830 . 1 1 189 189 ALA H H 1 7.99 0.02 . 1 . . . . 189 . . . 5462 1 831 . 1 1 189 189 ALA N N 15 124.3 0.1 . 1 . . . . 189 . . . 5462 1 832 . 1 1 189 189 ALA C C 13 179.6 0.1 . 1 . . . . 189 . . . 5462 1 833 . 1 1 189 189 ALA CA C 13 55.6 0.1 . 1 . . . . 189 . . . 5462 1 834 . 1 1 189 189 ALA CB C 13 17.9 0.1 . 1 . . . . 189 . . . 5462 1 835 . 1 1 190 190 HIS H H 1 7.75 0.02 . 1 . . . . 190 . . . 5462 1 836 . 1 1 190 190 HIS N N 15 116.5 0.1 . 1 . . . . 190 . . . 5462 1 837 . 1 1 190 190 HIS C C 13 177.6 0.1 . 1 . . . . 190 . . . 5462 1 838 . 1 1 190 190 HIS CA C 13 60.1 0.1 . 1 . . . . 190 . . . 5462 1 839 . 1 1 190 190 HIS CB C 13 29.8 0.1 . 1 . . . . 190 . . . 5462 1 840 . 1 1 191 191 ASP H H 1 7.45 0.02 . 1 . . . . 191 . . . 5462 1 841 . 1 1 191 191 ASP N N 15 121.5 0.1 . 1 . . . . 191 . . . 5462 1 842 . 1 1 191 191 ASP C C 13 179.4 0.1 . 1 . . . . 191 . . . 5462 1 843 . 1 1 191 191 ASP CA C 13 57.7 0.1 . 1 . . . . 191 . . . 5462 1 844 . 1 1 191 191 ASP CB C 13 40.2 0.1 . 1 . . . . 191 . . . 5462 1 845 . 1 1 192 192 ILE H H 1 8.07 0.02 . 1 . . . . 192 . . . 5462 1 846 . 1 1 192 192 ILE N N 15 120.5 0.1 . 1 . . . . 192 . . . 5462 1 847 . 1 1 192 192 ILE C C 13 178.2 0.1 . 1 . . . . 192 . . . 5462 1 848 . 1 1 192 192 ILE CA C 13 65.8 0.1 . 1 . . . . 192 . . . 5462 1 849 . 1 1 192 192 ILE CB C 13 37 0.1 . 1 . . . . 192 . . . 5462 1 850 . 1 1 193 193 PHE H H 1 7.71 0.02 . 1 . . . . 193 . . . 5462 1 851 . 1 1 193 193 PHE N N 15 118.5 0.1 . 1 . . . . 193 . . . 5462 1 852 . 1 1 193 193 PHE C C 13 177.6 0.1 . 1 . . . . 193 . . . 5462 1 853 . 1 1 193 193 PHE CA C 13 62.5 0.1 . 1 . . . . 193 . . . 5462 1 854 . 1 1 193 193 PHE CB C 13 35.8 0.1 . 1 . . . . 193 . . . 5462 1 855 . 1 1 194 194 ASN H H 1 8.39 0.02 . 1 . . . . 194 . . . 5462 1 856 . 1 1 194 194 ASN N N 15 121.7 0.1 . 1 . . . . 194 . . . 5462 1 857 . 1 1 194 194 ASN C C 13 178.9 0.1 . 1 . . . . 194 . . . 5462 1 858 . 1 1 194 194 ASN CA C 13 56.7 0.1 . 1 . . . . 194 . . . 5462 1 859 . 1 1 194 194 ASN CB C 13 37.6 0.1 . 1 . . . . 194 . . . 5462 1 860 . 1 1 195 195 HIS H H 1 7.30 0.02 . 1 . . . . 195 . . . 5462 1 861 . 1 1 195 195 HIS N N 15 119.2 0.1 . 1 . . . . 195 . . . 5462 1 862 . 1 1 195 195 HIS C C 13 178.2 0.1 . 1 . . . . 195 . . . 5462 1 863 . 1 1 195 195 HIS CA C 13 59.7 0.1 . 1 . . . . 195 . . . 5462 1 864 . 1 1 195 195 HIS CB C 13 27.8 0.1 . 1 . . . . 195 . . . 5462 1 865 . 1 1 196 196 VAL H H 1 7.56 0.02 . 1 . . . . 196 . . . 5462 1 866 . 1 1 196 196 VAL N N 15 122.2 0.1 . 1 . . . . 196 . . . 5462 1 867 . 1 1 196 196 VAL C C 13 177.6 0.1 . 1 . . . . 196 . . . 5462 1 868 . 1 1 196 196 VAL CA C 13 66.7 0.1 . 1 . . . . 196 . . . 5462 1 869 . 1 1 196 196 VAL CB C 13 29.4 0.1 . 1 . . . . 196 . . . 5462 1 870 . 1 1 197 197 LEU H H 1 7.99 0.02 . 1 . . . . 197 . . . 5462 1 871 . 1 1 197 197 LEU N N 15 120 0.1 . 1 . . . . 197 . . . 5462 1 872 . 1 1 197 197 LEU C C 13 180.9 0.1 . 1 . . . . 197 . . . 5462 1 873 . 1 1 197 197 LEU CA C 13 58 0.1 . 1 . . . . 197 . . . 5462 1 874 . 1 1 197 197 LEU CB C 13 40.3 0.1 . 1 . . . . 197 . . . 5462 1 875 . 1 1 198 198 GLU H H 1 7.53 0.02 . 1 . . . . 198 . . . 5462 1 876 . 1 1 198 198 GLU N N 15 121.8 0.1 . 1 . . . . 198 . . . 5462 1 877 . 1 1 198 198 GLU C C 13 179.8 0.1 . 1 . . . . 198 . . . 5462 1 878 . 1 1 198 198 GLU CA C 13 59.3 0.1 . 1 . . . . 198 . . . 5462 1 879 . 1 1 198 198 GLU CB C 13 29.2 0.1 . 1 . . . . 198 . . . 5462 1 880 . 1 1 199 199 LEU H H 1 7.93 0.02 . 1 . . . . 199 . . . 5462 1 881 . 1 1 199 199 LEU N N 15 121.7 0.1 . 1 . . . . 199 . . . 5462 1 882 . 1 1 199 199 LEU C C 13 180 0.1 . 1 . . . . 199 . . . 5462 1 883 . 1 1 199 199 LEU CA C 13 57.4 0.1 . 1 . . . . 199 . . . 5462 1 884 . 1 1 199 199 LEU CB C 13 41 0.1 . 1 . . . . 199 . . . 5462 1 885 . 1 1 200 200 LYS H H 1 8.93 0.02 . 1 . . . . 200 . . . 5462 1 886 . 1 1 200 200 LYS N N 15 126.7 0.1 . 1 . . . . 200 . . . 5462 1 887 . 1 1 200 200 LYS C C 13 181.4 0.1 . 1 . . . . 200 . . . 5462 1 888 . 1 1 200 200 LYS CA C 13 58.8 0.1 . 1 . . . . 200 . . . 5462 1 889 . 1 1 200 200 LYS CB C 13 31.3 0.1 . 1 . . . . 200 . . . 5462 1 890 . 1 1 201 201 ALA H H 1 7.55 0.02 . 1 . . . . 201 . . . 5462 1 891 . 1 1 201 201 ALA N N 15 124.2 0.1 . 1 . . . . 201 . . . 5462 1 892 . 1 1 201 201 ALA C C 13 179.4 0.1 . 1 . . . . 201 . . . 5462 1 893 . 1 1 201 201 ALA CA C 13 54.3 0.1 . 1 . . . . 201 . . . 5462 1 894 . 1 1 201 201 ALA CB C 13 17.2 0.1 . 1 . . . . 201 . . . 5462 1 895 . 1 1 202 202 LYS H H 1 7.23 0.02 . 1 . . . . 202 . . . 5462 1 896 . 1 1 202 202 LYS N N 15 117.6 0.1 . 1 . . . . 202 . . . 5462 1 897 . 1 1 202 202 LYS C C 13 177 0.1 . 1 . . . . 202 . . . 5462 1 898 . 1 1 202 202 LYS CA C 13 55.9 0.1 . 1 . . . . 202 . . . 5462 1 899 . 1 1 202 202 LYS CB C 13 31.6 0.1 . 1 . . . . 202 . . . 5462 1 900 . 1 1 203 203 GLY H H 1 7.91 0.02 . 1 . . . . 203 . . . 5462 1 901 . 1 1 203 203 GLY N N 15 108.4 0.1 . 1 . . . . 203 . . . 5462 1 902 . 1 1 203 203 GLY C C 13 174.2 0.1 . 1 . . . . 203 . . . 5462 1 903 . 1 1 204 204 ILE H H 1 7.42 0.02 . 1 . . . . 204 . . . 5462 1 904 . 1 1 204 204 ILE N N 15 124.3 0.1 . 1 . . . . 204 . . . 5462 1 905 . 1 1 204 204 ILE C C 13 173.8 0.1 . 1 . . . . 204 . . . 5462 1 906 . 1 1 204 204 ILE CA C 13 62.1 0.1 . 1 . . . . 204 . . . 5462 1 907 . 1 1 204 204 ILE CB C 13 37 0.1 . 1 . . . . 204 . . . 5462 1 908 . 1 1 205 205 THR H H 1 7.17 0.02 . 1 . . . . 205 . . . 5462 1 909 . 1 1 205 205 THR N N 15 122.6 0.1 . 1 . . . . 205 . . . 5462 1 910 . 1 1 205 205 THR C C 13 173 0.1 . 1 . . . . 205 . . . 5462 1 911 . 1 1 205 205 THR CA C 13 63.2 0.1 . 1 . . . . 205 . . . 5462 1 912 . 1 1 205 205 THR CB C 13 70.6 0.1 . 1 . . . . 205 . . . 5462 1 913 . 1 1 206 206 PHE H H 1 8.41 0.02 . 1 . . . . 206 . . . 5462 1 914 . 1 1 206 206 PHE N N 15 124.9 0.1 . 1 . . . . 206 . . . 5462 1 915 . 1 1 206 206 PHE C C 13 174.2 0.1 . 1 . . . . 206 . . . 5462 1 916 . 1 1 206 206 PHE CA C 13 57.3 0.1 . 1 . . . . 206 . . . 5462 1 917 . 1 1 206 206 PHE CB C 13 43.3 0.1 . 1 . . . . 206 . . . 5462 1 918 . 1 1 207 207 HIS C C 13 177.1 0.1 . 1 . . . . 211 . . . 5462 1 919 . 1 1 207 207 HIS CA C 13 62.46 0.1 . 1 . . . . 211 . . . 5462 1 920 . 1 1 207 207 HIS CB C 13 38.16 0.1 . 1 . . . . 211 . . . 5462 1 921 . 1 1 208 208 ARG H H 1 7.16 0.02 . 1 . . . . 212 . . . 5462 1 922 . 1 1 208 208 ARG N N 15 114.5 0.1 . 1 . . . . 212 . . . 5462 1 923 . 1 1 208 208 ARG C C 13 176 0.1 . 1 . . . . 212 . . . 5462 1 924 . 1 1 208 208 ARG CA C 13 62.2 0.1 . 1 . . . . 212 . . . 5462 1 925 . 1 1 208 208 ARG CB C 13 30.6 0.1 . 1 . . . . 212 . . . 5462 1 926 . 1 1 209 209 LEU H H 1 7.17 0.02 . 1 . . . . 213 . . . 5462 1 927 . 1 1 209 209 LEU N N 15 122.2 0.1 . 1 . . . . 213 . . . 5462 1 928 . 1 1 209 209 LEU C C 13 177.6 0.1 . 1 . . . . 213 . . . 5462 1 929 . 1 1 209 209 LEU CA C 13 58.6 0.1 . 1 . . . . 213 . . . 5462 1 930 . 1 1 209 209 LEU CB C 13 41.2 0.1 . 1 . . . . 213 . . . 5462 1 931 . 1 1 210 210 ASP H H 1 7.71 0.02 . 1 . . . . 214 . . . 5462 1 932 . 1 1 210 210 ASP N N 15 113.3 0.1 . 1 . . . . 214 . . . 5462 1 933 . 1 1 210 210 ASP C C 13 175.3 0.1 . 1 . . . . 214 . . . 5462 1 934 . 1 1 210 210 ASP CA C 13 54.8 0.1 . 1 . . . . 214 . . . 5462 1 935 . 1 1 210 210 ASP CB C 13 37.5 0.1 . 1 . . . . 214 . . . 5462 1 936 . 1 1 211 211 ILE H H 1 7.42 0.02 . 1 . . . . 215 . . . 5462 1 937 . 1 1 211 211 ILE N N 15 116.5 0.1 . 1 . . . . 215 . . . 5462 1 938 . 1 1 211 211 ILE C C 13 174.9 0.1 . 1 . . . . 215 . . . 5462 1 939 . 1 1 211 211 ILE CA C 13 57.9 0.1 . 1 . . . . 215 . . . 5462 1 940 . 1 1 211 211 ILE CB C 13 39.1 0.1 . 1 . . . . 215 . . . 5462 1 941 . 1 1 212 212 VAL H H 1 6.78 0.02 . 1 . . . . 216 . . . 5462 1 942 . 1 1 212 212 VAL N N 15 115.6 0.1 . 1 . . . . 216 . . . 5462 1 943 . 1 1 212 212 VAL C C 13 175 0.1 . 1 . . . . 216 . . . 5462 1 944 . 1 1 212 212 VAL CA C 13 59.3 0.1 . 1 . . . . 216 . . . 5462 1 945 . 1 1 212 212 VAL CB C 13 37.5 0.1 . 1 . . . . 216 . . . 5462 1 946 . 1 1 213 213 LEU H H 1 8.41 0.02 . 1 . . . . 217 . . . 5462 1 947 . 1 1 213 213 LEU N N 15 121.4 0.1 . 1 . . . . 217 . . . 5462 1 948 . 1 1 213 213 LEU C C 13 176.4 0.1 . 1 . . . . 217 . . . 5462 1 949 . 1 1 213 213 LEU CA C 13 56.2 0.1 . 1 . . . . 217 . . . 5462 1 950 . 1 1 213 213 LEU CB C 13 43.3 0.1 . 1 . . . . 217 . . . 5462 1 951 . 1 1 214 214 ASN H H 1 7.44 0.02 . 1 . . . . 218 . . . 5462 1 952 . 1 1 214 214 ASN N N 15 121.2 0.1 . 1 . . . . 218 . . . 5462 1 953 . 1 1 214 214 ASN C C 13 170.7 0.1 . 1 . . . . 218 . . . 5462 1 954 . 1 1 214 214 ASN CA C 13 52.4 0.1 . 1 . . . . 218 . . . 5462 1 955 . 1 1 214 214 ASN CB C 13 32 0.1 . 1 . . . . 218 . . . 5462 1 956 . 1 1 215 215 TYR H H 1 9.20 0.02 . 1 . . . . 219 . . . 5462 1 957 . 1 1 215 215 TYR N N 15 131.6 0.1 . 1 . . . . 219 . . . 5462 1 958 . 1 1 215 215 TYR C C 13 174.2 0.1 . 1 . . . . 219 . . . 5462 1 959 . 1 1 215 215 TYR CA C 13 53.1 0.1 . 1 . . . . 219 . . . 5462 1 960 . 1 1 215 215 TYR CB C 13 47.3 0.1 . 1 . . . . 219 . . . 5462 1 961 . 1 1 216 216 ILE H H 1 8.84 0.02 . 1 . . . . 220 . . . 5462 1 962 . 1 1 216 216 ILE N N 15 123.4 0.1 . 1 . . . . 220 . . . 5462 1 963 . 1 1 216 216 ILE C C 13 174.2 0.1 . 1 . . . . 220 . . . 5462 1 964 . 1 1 216 216 ILE CA C 13 57.3 0.1 . 1 . . . . 220 . . . 5462 1 965 . 1 1 217 217 ASP H H 1 8.40 0.02 . 1 . . . . 221 . . . 5462 1 966 . 1 1 217 217 ASP N N 15 126.5 0.1 . 1 . . . . 221 . . . 5462 1 967 . 1 1 217 217 ASP C C 13 173.8 0.1 . 1 . . . . 221 . . . 5462 1 968 . 1 1 218 218 HIS H H 1 8.99 0.02 . 1 . . . . 222 . . . 5462 1 969 . 1 1 218 218 HIS N N 15 126.9 0.1 . 1 . . . . 222 . . . 5462 1 970 . 1 1 218 218 HIS CA C 13 59.3 0.1 . 1 . . . . 222 . . . 5462 1 971 . 1 1 220 220 TYR C C 13 174.4 0.1 . 1 . . . . 224 . . . 5462 1 972 . 1 1 220 220 TYR CA C 13 57.45 0.1 . 1 . . . . 224 . . . 5462 1 973 . 1 1 221 221 VAL H H 1 8.30 0.02 . 1 . . . . 225 . . . 5462 1 974 . 1 1 221 221 VAL N N 15 120.6 0.1 . 1 . . . . 225 . . . 5462 1 975 . 1 1 221 221 VAL C C 13 175.6 0.1 . 1 . . . . 225 . . . 5462 1 976 . 1 1 221 221 VAL CA C 13 60.3 0.1 . 1 . . . . 225 . . . 5462 1 977 . 1 1 222 222 MET H H 1 9.17 0.02 . 1 . . . . 226 . . . 5462 1 978 . 1 1 222 222 MET N N 15 128.6 0.1 . 1 . . . . 226 . . . 5462 1 979 . 1 1 222 222 MET C C 13 173.8 0.1 . 1 . . . . 226 . . . 5462 1 980 . 1 1 222 222 MET CA C 13 54.7 0.1 . 1 . . . . 226 . . . 5462 1 981 . 1 1 222 222 MET CB C 13 36.3 0.1 . 1 . . . . 226 . . . 5462 1 982 . 1 1 223 223 PHE H H 1 8.58 0.02 . 1 . . . . 227 . . . 5462 1 983 . 1 1 223 223 PHE N N 15 117.5 0.1 . 1 . . . . 227 . . . 5462 1 984 . 1 1 223 223 PHE C C 13 176.1 0.1 . 1 . . . . 227 . . . 5462 1 985 . 1 1 223 223 PHE CA C 13 57.4 0.1 . 1 . . . . 227 . . . 5462 1 986 . 1 1 223 223 PHE CB C 13 42.3 0.1 . 1 . . . . 227 . . . 5462 1 987 . 1 1 224 224 ASN H H 1 8.42 0.02 . 1 . . . . 228 . . . 5462 1 988 . 1 1 224 224 ASN N N 15 128.3 0.1 . 1 . . . . 228 . . . 5462 1 989 . 1 1 224 224 ASN C C 13 174.8 0.1 . 1 . . . . 228 . . . 5462 1 990 . 1 1 224 224 ASN CA C 13 53.5 0.1 . 1 . . . . 228 . . . 5462 1 991 . 1 1 224 224 ASN CB C 13 36.7 0.1 . 1 . . . . 228 . . . 5462 1 992 . 1 1 225 225 GLY H H 1 7.86 0.02 . 1 . . . . 229 . . . 5462 1 993 . 1 1 225 225 GLY N N 15 104.7 0.1 . 1 . . . . 229 . . . 5462 1 994 . 1 1 225 225 GLY C C 13 172.9 0.1 . 1 . . . . 229 . . . 5462 1 995 . 1 1 225 225 GLY CA C 13 46.9 0.1 . 1 . . . . 229 . . . 5462 1 996 . 1 1 226 226 GLN H H 1 7.41 0.02 . 1 . . . . 230 . . . 5462 1 997 . 1 1 226 226 GLN N N 15 116.8 0.1 . 1 . . . . 230 . . . 5462 1 998 . 1 1 226 226 GLN C C 13 175.4 0.1 . 1 . . . . 230 . . . 5462 1 999 . 1 1 226 226 GLN CA C 13 53.2 0.1 . 1 . . . . 230 . . . 5462 1 1000 . 1 1 226 226 GLN CB C 13 32.5 0.1 . 1 . . . . 230 . . . 5462 1 1001 . 1 1 227 227 ILE H H 1 8.63 0.02 . 1 . . . . 231 . . . 5462 1 1002 . 1 1 227 227 ILE N N 15 123.1 0.1 . 1 . . . . 231 . . . 5462 1 1003 . 1 1 227 227 ILE C C 13 177.6 0.1 . 1 . . . . 231 . . . 5462 1 1004 . 1 1 227 227 ILE CA C 13 59.8 0.1 . 1 . . . . 231 . . . 5462 1 1005 . 1 1 227 227 ILE CB C 13 36 0.1 . 1 . . . . 231 . . . 5462 1 1006 . 1 1 228 228 ILE H H 1 8.87 0.02 . 1 . . . . 232 . . . 5462 1 1007 . 1 1 228 228 ILE N N 15 122.7 0.1 . 1 . . . . 232 . . . 5462 1 1008 . 1 1 228 228 ILE C C 13 175.4 0.1 . 1 . . . . 232 . . . 5462 1 1009 . 1 1 228 228 ILE CA C 13 60.4 0.1 . 1 . . . . 232 . . . 5462 1 1010 . 1 1 228 228 ILE CB C 13 39.5 0.1 . 1 . . . . 232 . . . 5462 1 1011 . 1 1 229 229 ALA H H 1 7.56 0.02 . 1 . . . . 233 . . . 5462 1 1012 . 1 1 229 229 ALA N N 15 123 0.1 . 1 . . . . 233 . . . 5462 1 1013 . 1 1 229 229 ALA C C 13 174.8 0.1 . 1 . . . . 233 . . . 5462 1 1014 . 1 1 229 229 ALA CA C 13 52.3 0.1 . 1 . . . . 233 . . . 5462 1 1015 . 1 1 229 229 ALA CB C 13 22 0.1 . 1 . . . . 233 . . . 5462 1 1016 . 1 1 230 230 GLU H H 1 8.06 0.02 . 1 . . . . 234 . . . 5462 1 1017 . 1 1 230 230 GLU N N 15 120.9 0.1 . 1 . . . . 234 . . . 5462 1 1018 . 1 1 230 230 GLU C C 13 174.5 0.1 . 1 . . . . 234 . . . 5462 1 1019 . 1 1 230 230 GLU CA C 13 54.4 0.1 . 1 . . . . 234 . . . 5462 1 1020 . 1 1 230 230 GLU CB C 13 32.6 0.1 . 1 . . . . 234 . . . 5462 1 1021 . 1 1 231 231 GLY H H 1 8.75 0.02 . 1 . . . . 235 . . . 5462 1 1022 . 1 1 231 231 GLY N N 15 110.7 0.1 . 1 . . . . 235 . . . 5462 1 1023 . 1 1 231 231 GLY C C 13 171.1 0.1 . 1 . . . . 235 . . . 5462 1 1024 . 1 1 231 231 GLY CA C 13 44.9 0.1 . 1 . . . . 235 . . . 5462 1 1025 . 1 1 232 232 ARG H H 1 9.45 0.02 . 1 . . . . 236 . . . 5462 1 1026 . 1 1 232 232 ARG N N 15 127.9 0.1 . 1 . . . . 236 . . . 5462 1 1027 . 1 1 232 232 ARG C C 13 175.8 0.1 . 1 . . . . 236 . . . 5462 1 1028 . 1 1 232 232 ARG CA C 13 55.7 0.1 . 1 . . . . 236 . . . 5462 1 1029 . 1 1 232 232 ARG CB C 13 31.6 0.1 . 1 . . . . 236 . . . 5462 1 1030 . 1 1 233 233 GLY H H 1 7.49 0.02 . 1 . . . . 237 . . . 5462 1 1031 . 1 1 233 233 GLY N N 15 112.8 0.1 . 1 . . . . 237 . . . 5462 1 1032 . 1 1 233 233 GLY C C 13 172.9 0.1 . 1 . . . . 237 . . . 5462 1 1033 . 1 1 234 234 GLU H H 1 7.96 0.02 . 1 . . . . 238 . . . 5462 1 1034 . 1 1 234 234 GLU N N 15 120.1 0.1 . 1 . . . . 238 . . . 5462 1 1035 . 1 1 234 234 GLU C C 13 178 0.1 . 1 . . . . 238 . . . 5462 1 1036 . 1 1 234 234 GLU CA C 13 60.4 0.1 . 1 . . . . 238 . . . 5462 1 1037 . 1 1 234 234 GLU CB C 13 29.7 0.1 . 1 . . . . 238 . . . 5462 1 1038 . 1 1 235 235 GLU H H 1 8.04 0.02 . 1 . . . . 239 . . . 5462 1 1039 . 1 1 235 235 GLU N N 15 119.4 0.1 . 1 . . . . 239 . . . 5462 1 1040 . 1 1 235 235 GLU C C 13 179.3 0.1 . 1 . . . . 239 . . . 5462 1 1041 . 1 1 235 235 GLU CA C 13 59.5 0.1 . 1 . . . . 239 . . . 5462 1 1042 . 1 1 235 235 GLU CB C 13 28.7 0.1 . 1 . . . . 239 . . . 5462 1 1043 . 1 1 236 236 GLU H H 1 8.19 0.02 . 1 . . . . 240 . . . 5462 1 1044 . 1 1 236 236 GLU N N 15 119.8 0.1 . 1 . . . . 240 . . . 5462 1 1045 . 1 1 236 236 GLU C C 13 180.3 0.1 . 1 . . . . 240 . . . 5462 1 1046 . 1 1 236 236 GLU CA C 13 59.2 0.1 . 1 . . . . 240 . . . 5462 1 1047 . 1 1 236 236 GLU CB C 13 29.5 0.1 . 1 . . . . 240 . . . 5462 1 1048 . 1 1 237 237 ILE H H 1 8.10 0.02 . 1 . . . . 241 . . . 5462 1 1049 . 1 1 237 237 ILE N N 15 120.4 0.1 . 1 . . . . 241 . . . 5462 1 1050 . 1 1 237 237 ILE C C 13 177.3 0.1 . 1 . . . . 241 . . . 5462 1 1051 . 1 1 237 237 ILE CA C 13 67 0.1 . 1 . . . . 241 . . . 5462 1 1052 . 1 1 237 237 ILE CB C 13 36.6 0.1 . 1 . . . . 241 . . . 5462 1 1053 . 1 1 238 238 LYS H H 1 7.78 0.02 . 1 . . . . 242 . . . 5462 1 1054 . 1 1 238 238 LYS N N 15 119.7 0.1 . 1 . . . . 242 . . . 5462 1 1055 . 1 1 238 238 LYS C C 13 179.8 0.1 . 1 . . . . 242 . . . 5462 1 1056 . 1 1 238 238 LYS CA C 13 59.9 0.1 . 1 . . . . 242 . . . 5462 1 1057 . 1 1 238 238 LYS CB C 13 31 0.1 . 1 . . . . 242 . . . 5462 1 1058 . 1 1 239 239 ASN H H 1 7.40 0.02 . 1 . . . . 243 . . . 5462 1 1059 . 1 1 239 239 ASN N N 15 118.9 0.1 . 1 . . . . 243 . . . 5462 1 1060 . 1 1 239 239 ASN C C 13 178.4 0.1 . 1 . . . . 243 . . . 5462 1 1061 . 1 1 239 239 ASN CA C 13 55.7 0.1 . 1 . . . . 243 . . . 5462 1 1062 . 1 1 239 239 ASN CB C 13 37.8 0.1 . 1 . . . . 243 . . . 5462 1 1063 . 1 1 240 240 VAL H H 1 8.10 0.02 . 1 . . . . 244 . . . 5462 1 1064 . 1 1 240 240 VAL N N 15 124.2 0.1 . 1 . . . . 244 . . . 5462 1 1065 . 1 1 240 240 VAL C C 13 177.8 0.1 . 1 . . . . 244 . . . 5462 1 1066 . 1 1 240 240 VAL CA C 13 66.1 0.1 . 1 . . . . 244 . . . 5462 1 1067 . 1 1 240 240 VAL CB C 13 30.6 0.1 . 1 . . . . 244 . . . 5462 1 1068 . 1 1 241 241 LEU H H 1 7.38 0.02 . 1 . . . . 245 . . . 5462 1 1069 . 1 1 241 241 LEU N N 15 115.9 0.1 . 1 . . . . 245 . . . 5462 1 1070 . 1 1 241 241 LEU C C 13 177.6 0.1 . 1 . . . . 245 . . . 5462 1 1071 . 1 1 241 241 LEU CA C 13 56.3 0.1 . 1 . . . . 245 . . . 5462 1 1072 . 1 1 241 241 LEU CB C 13 40.5 0.1 . 1 . . . . 245 . . . 5462 1 1073 . 1 1 242 242 SER H H 1 7.05 0.02 . 1 . . . . 246 . . . 5462 1 1074 . 1 1 242 242 SER N N 15 111 0.1 . 1 . . . . 246 . . . 5462 1 1075 . 1 1 242 242 SER C C 13 173.8 0.1 . 1 . . . . 246 . . . 5462 1 1076 . 1 1 242 242 SER CA C 13 57.4 0.1 . 1 . . . . 246 . . . 5462 1 1077 . 1 1 242 242 SER CB C 13 63.9 0.1 . 1 . . . . 246 . . . 5462 1 1078 . 1 1 243 243 ASP H H 1 7.31 0.02 . 1 . . . . 247 . . . 5462 1 1079 . 1 1 243 243 ASP N N 15 129.2 0.1 . 1 . . . . 247 . . . 5462 1 1080 . 1 1 243 243 ASP C C 13 175.9 0.1 . 1 . . . . 247 . . . 5462 1 1081 . 1 1 243 243 ASP CA C 13 52.3 0.1 . 1 . . . . 247 . . . 5462 1 1082 . 1 1 243 243 ASP CB C 13 42.2 0.1 . 1 . . . . 247 . . . 5462 1 1083 . 1 1 244 244 PRO C C 13 178.8 0.1 . 1 . . . . 248 . . . 5462 1 1084 . 1 1 244 244 PRO CA C 13 65.26 0.1 . 1 . . . . 248 . . . 5462 1 1085 . 1 1 244 244 PRO CB C 13 31.86 0.1 . 1 . . . . 248 . . . 5462 1 1086 . 1 1 245 245 LYS H H 1 8.42 0.02 . 1 . . . . 249 . . . 5462 1 1087 . 1 1 245 245 LYS N N 15 118.1 0.1 . 1 . . . . 249 . . . 5462 1 1088 . 1 1 245 245 LYS C C 13 177.9 0.1 . 1 . . . . 249 . . . 5462 1 1089 . 1 1 245 245 LYS CA C 13 58.2 0.1 . 1 . . . . 249 . . . 5462 1 1090 . 1 1 245 245 LYS CB C 13 31.2 0.1 . 1 . . . . 249 . . . 5462 1 1091 . 1 1 246 246 VAL H H 1 7.22 0.02 . 1 . . . . 250 . . . 5462 1 1092 . 1 1 246 246 VAL N N 15 120.4 0.1 . 1 . . . . 250 . . . 5462 1 1093 . 1 1 246 246 VAL C C 13 177.4 0.1 . 1 . . . . 250 . . . 5462 1 1094 . 1 1 246 246 VAL CA C 13 65.2 0.1 . 1 . . . . 250 . . . 5462 1 1095 . 1 1 246 246 VAL CB C 13 31.2 0.1 . 1 . . . . 250 . . . 5462 1 1096 . 1 1 247 247 VAL H H 1 7.77 0.02 . 1 . . . . 251 . . . 5462 1 1097 . 1 1 247 247 VAL N N 15 119.4 0.1 . 1 . . . . 251 . . . 5462 1 1098 . 1 1 247 247 VAL C C 13 179.5 0.1 . 1 . . . . 251 . . . 5462 1 1099 . 1 1 247 247 VAL CA C 13 66.1 0.1 . 1 . . . . 251 . . . 5462 1 1100 . 1 1 247 247 VAL CB C 13 31.2 0.1 . 1 . . . . 251 . . . 5462 1 1101 . 1 1 248 248 GLU H H 1 7.46 0.02 . 1 . . . . 252 . . . 5462 1 1102 . 1 1 248 248 GLU N N 15 117.5 0.1 . 1 . . . . 252 . . . 5462 1 1103 . 1 1 248 248 GLU C C 13 178.9 0.1 . 1 . . . . 252 . . . 5462 1 1104 . 1 1 248 248 GLU CA C 13 58.7 0.1 . 1 . . . . 252 . . . 5462 1 1105 . 1 1 248 248 GLU CB C 13 29.1 0.1 . 1 . . . . 252 . . . 5462 1 1106 . 1 1 249 249 ILE H H 1 7.00 0.02 . 1 . . . . 253 . . . 5462 1 1107 . 1 1 249 249 ILE N N 15 113.6 0.1 . 1 . . . . 253 . . . 5462 1 1108 . 1 1 249 249 ILE C C 13 176.4 0.1 . 1 . . . . 253 . . . 5462 1 1109 . 1 1 249 249 ILE CA C 13 63.2 0.1 . 1 . . . . 253 . . . 5462 1 1110 . 1 1 249 249 ILE CB C 13 36.4 0.1 . 1 . . . . 253 . . . 5462 1 1111 . 1 1 250 250 TYR H H 1 7.15 0.02 . 1 . . . . 254 . . . 5462 1 1112 . 1 1 250 250 TYR N N 15 119.2 0.1 . 1 . . . . 254 . . . 5462 1 1113 . 1 1 250 250 TYR C C 13 176.5 0.1 . 1 . . . . 254 . . . 5462 1 1114 . 1 1 250 250 TYR CA C 13 59.5 0.1 . 1 . . . . 254 . . . 5462 1 1115 . 1 1 250 250 TYR CB C 13 38.6 0.1 . 1 . . . . 254 . . . 5462 1 1116 . 1 1 251 251 ILE H H 1 7.35 0.02 . 1 . . . . 255 . . . 5462 1 1117 . 1 1 251 251 ILE N N 15 122.6 0.1 . 1 . . . . 255 . . . 5462 1 1118 . 1 1 251 251 ILE C C 13 177.2 0.1 . 1 . . . . 255 . . . 5462 1 1119 . 1 1 251 251 ILE CA C 13 62.6 0.1 . 1 . . . . 255 . . . 5462 1 1120 . 1 1 251 251 ILE CB C 13 37.2 0.1 . 1 . . . . 255 . . . 5462 1 1121 . 1 1 252 252 GLY H H 1 8.08 0.02 . 1 . . . . 256 . . . 5462 1 1122 . 1 1 252 252 GLY N N 15 113.7 0.1 . 1 . . . . 256 . . . 5462 1 1123 . 1 1 252 252 GLY C C 13 173.7 0.1 . 1 . . . . 256 . . . 5462 1 1124 . 1 1 252 252 GLY CA C 13 45.2 0.1 . 1 . . . . 256 . . . 5462 1 1125 . 1 1 253 253 GLU H H 1 7.46 0.02 . 1 . . . . 257 . . . 5462 1 1126 . 1 1 253 253 GLU N N 15 126.6 0.1 . 1 . . . . 257 . . . 5462 1 1127 . 1 1 253 253 GLU C C 13 181.4 0.1 . 1 . . . . 257 . . . 5462 1 1128 . 1 1 253 253 GLU CA C 13 57.7 0.1 . 1 . . . . 257 . . . 5462 1 1129 . 1 1 253 253 GLU CB C 13 30.7 0.1 . 1 . . . . 257 . . . 5462 1 stop_ save_