data_5706 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5706 _Entry.Title ; Antibiotic binding domain of a TipA-class multidrug resistance transcriptional regulator ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2003-02-21 _Entry.Accession_date 2003-02-21 _Entry.Last_release_date 2003-05-22 _Entry.Original_release_date 2003-05-22 _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 Jan Kahmann . D. . 5706 2 'Hans Juergen' Sass . . . 5706 3 Martin Allan . G. . 5706 4 Haruo Seto . . . 5706 5 Charles Thompson . J. . 5706 6 Stephan Grzesiek . . . 5706 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5706 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 473 5706 '13C chemical shifts' 345 5706 '15N chemical shifts' 103 5706 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 . . 2003-05-22 2003-02-21 original author . 5706 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5706 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22568288 _Citation.DOI . _Citation.PubMed_ID 12682015 _Citation.Full_citation . _Citation.Title ; Structural Basis for Antibiotic Recognition by the TipA Class of Multidrug-resistance Transcriptional Regulators ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full . _Citation.Journal_volume 22 _Citation.Journal_issue 8 _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 1824 _Citation.Page_last 1834 _Citation.Year 2003 _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 Jan Kahmann . D. . 5706 1 2 'Hans Juergen' Sass . . . 5706 1 3 Martin Allan . G. . 5706 1 4 Haruo Seto . . . 5706 1 5 Charles Thompson . J. . 5706 1 6 Stephan Grzesiek . . . 5706 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Antibiotic recognition' 5706 1 'globin fold' 5706 1 'heteronuclear NMR' 5706 1 'protein dynamics' 5706 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_TipAS _Assembly.Sf_category assembly _Assembly.Sf_framecode system_TipAS _Assembly.Entry_ID 5706 _Assembly.ID 1 _Assembly.Name TipAS _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 reported' _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 5706 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 TipAS 1 $TipAS . . . native . . . . . 5706 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID TipAS system 5706 1 TipAS abbreviation 5706 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ; Antibiotic binding domain of a multidrug resistance transcriptional regulator ; 5706 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TipAS _Entity.Sf_category entity _Entity.Sf_framecode TipAS _Entity.Entry_ID 5706 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Transcriptional activator tipA' _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 ; GINLTPEEKFEVFGDFDPDQ YEEEVRERWGNTDAYRQSKE KTASYTKEDWQRIQDEADEL TRRFVALMDAGEPADSEGAM DAAEDHRQGIARNHYDCGYE MHTCLGEMYVSDERFTRNID AAKPGLAAYMRDAILANAVR HTP ; _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 143 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16432 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19421 . TipAS . . . . . 100.00 144 100.00 100.00 2.77e-101 . . . . 5706 1 2 no BMRB 19422 . TipAS . . . . . 100.00 144 100.00 100.00 2.77e-101 . . . . 5706 1 3 no PDB 1NY9 . "Antibiotic Binding Domain Of A Tipa-Class Multidrug Resistance Transcriptional Regulator" . . . . . 100.00 143 100.00 100.00 3.41e-101 . . . . 5706 1 4 no PDB 2MBZ . "Structural Basis Of A Thiopeptide Antibiotic Multidrug Resistance System From Streptomyces Lividans:promothiocin A In Complex W" . . . . . 100.00 144 100.00 100.00 2.77e-101 . . . . 5706 1 5 no PDB 2MC0 . "Structural Basis Of A Thiopeptide Antibiotic Multidrug Resistance System From Streptomyces Lividans:nosiheptide In Complex With" . . . . . 100.00 144 100.00 100.00 2.77e-101 . . . . 5706 1 6 no DBJ BAD11210 . "TipA [Expression vector pTip-NH1]" . . . . . 100.00 253 100.00 100.00 9.00e-101 . . . . 5706 1 7 no DBJ BAD11216 . "TipA [Expression vector pTip-CH1]" . . . . . 100.00 253 100.00 100.00 9.00e-101 . . . . 5706 1 8 no DBJ BAD11222 . "TipA [Expression vector pTip-NH2]" . . . . . 100.00 253 100.00 100.00 9.00e-101 . . . . 5706 1 9 no DBJ BAD11228 . "TipA [Expression vector pTip-CH2]" . . . . . 100.00 253 100.00 100.00 9.00e-101 . . . . 5706 1 10 no DBJ BAD11234 . "TipA [Expression vector pTip-LNH1]" . . . . . 100.00 253 100.00 100.00 9.00e-101 . . . . 5706 1 11 no EMBL CAB42766 . "transcriptional regulator [Streptomyces coelicolor A3(2)]" . . . . . 100.00 253 100.00 100.00 9.00e-101 . . . . 5706 1 12 no GB AAB27737 . "TipAL-AS [Streptomyces lividans]" . . . . . 100.00 253 100.00 100.00 9.00e-101 . . . . 5706 1 13 no GB AAC13653 . "thiostreptin-induced protein [Streptomyces lividans]" . . . . . 100.00 144 100.00 100.00 2.77e-101 . . . . 5706 1 14 no GB AIJ15084 . "HTH-type transcriptional activator TipA [Streptomyces lividans TK24]" . . . . . 100.00 253 100.00 100.00 9.00e-101 . . . . 5706 1 15 no GB EFD68501 . "thiostrepton inducible protein [Streptomyces lividans TK24]" . . . . . 100.00 253 100.00 100.00 9.00e-101 . . . . 5706 1 16 no GB EHN72093 . "transcriptional regulator [Streptomyces coelicoflavus ZG0656]" . . . . . 100.00 253 97.20 100.00 4.25e-98 . . . . 5706 1 17 no REF NP_627619 . "transcriptional regulator [Streptomyces coelicolor A3(2)]" . . . . . 100.00 253 100.00 100.00 9.00e-101 . . . . 5706 1 18 no REF WP_003975420 . "MULTISPECIES: transcriptional regulator [Streptomyces]" . . . . . 100.00 253 100.00 100.00 9.00e-101 . . . . 5706 1 19 no SP P0A4T8 . "RecName: Full=HTH-type transcriptional activator TipA [Streptomyces coelicolor A3(2)]" . . . . . 100.00 253 100.00 100.00 9.00e-101 . . . . 5706 1 20 no SP P0A4T9 . "RecName: Full=HTH-type transcriptional activator TipA [Streptomyces lividans]" . . . . . 100.00 253 100.00 100.00 9.00e-101 . . . . 5706 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Transcriptional activator tipA' common 5706 1 'Transcriptional activator tipAS' variant 5706 1 TipAS abbreviation 5706 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 1 111 GLY . 5706 1 2 112 ILE . 5706 1 3 113 ASN . 5706 1 4 114 LEU . 5706 1 5 115 THR . 5706 1 6 116 PRO . 5706 1 7 117 GLU . 5706 1 8 118 GLU . 5706 1 9 119 LYS . 5706 1 10 120 PHE . 5706 1 11 121 GLU . 5706 1 12 122 VAL . 5706 1 13 123 PHE . 5706 1 14 124 GLY . 5706 1 15 125 ASP . 5706 1 16 126 PHE . 5706 1 17 127 ASP . 5706 1 18 128 PRO . 5706 1 19 129 ASP . 5706 1 20 130 GLN . 5706 1 21 131 TYR . 5706 1 22 132 GLU . 5706 1 23 133 GLU . 5706 1 24 134 GLU . 5706 1 25 135 VAL . 5706 1 26 136 ARG . 5706 1 27 137 GLU . 5706 1 28 138 ARG . 5706 1 29 139 TRP . 5706 1 30 140 GLY . 5706 1 31 141 ASN . 5706 1 32 142 THR . 5706 1 33 143 ASP . 5706 1 34 144 ALA . 5706 1 35 145 TYR . 5706 1 36 146 ARG . 5706 1 37 147 GLN . 5706 1 38 148 SER . 5706 1 39 149 LYS . 5706 1 40 150 GLU . 5706 1 41 151 LYS . 5706 1 42 152 THR . 5706 1 43 153 ALA . 5706 1 44 154 SER . 5706 1 45 155 TYR . 5706 1 46 156 THR . 5706 1 47 157 LYS . 5706 1 48 158 GLU . 5706 1 49 159 ASP . 5706 1 50 160 TRP . 5706 1 51 161 GLN . 5706 1 52 162 ARG . 5706 1 53 163 ILE . 5706 1 54 164 GLN . 5706 1 55 165 ASP . 5706 1 56 166 GLU . 5706 1 57 167 ALA . 5706 1 58 168 ASP . 5706 1 59 169 GLU . 5706 1 60 170 LEU . 5706 1 61 171 THR . 5706 1 62 172 ARG . 5706 1 63 173 ARG . 5706 1 64 174 PHE . 5706 1 65 175 VAL . 5706 1 66 176 ALA . 5706 1 67 177 LEU . 5706 1 68 178 MET . 5706 1 69 179 ASP . 5706 1 70 180 ALA . 5706 1 71 181 GLY . 5706 1 72 182 GLU . 5706 1 73 183 PRO . 5706 1 74 184 ALA . 5706 1 75 185 ASP . 5706 1 76 186 SER . 5706 1 77 187 GLU . 5706 1 78 188 GLY . 5706 1 79 189 ALA . 5706 1 80 190 MET . 5706 1 81 191 ASP . 5706 1 82 192 ALA . 5706 1 83 193 ALA . 5706 1 84 194 GLU . 5706 1 85 195 ASP . 5706 1 86 196 HIS . 5706 1 87 197 ARG . 5706 1 88 198 GLN . 5706 1 89 199 GLY . 5706 1 90 200 ILE . 5706 1 91 201 ALA . 5706 1 92 202 ARG . 5706 1 93 203 ASN . 5706 1 94 204 HIS . 5706 1 95 205 TYR . 5706 1 96 206 ASP . 5706 1 97 207 CYS . 5706 1 98 208 GLY . 5706 1 99 209 TYR . 5706 1 100 210 GLU . 5706 1 101 211 MET . 5706 1 102 212 HIS . 5706 1 103 213 THR . 5706 1 104 214 CYS . 5706 1 105 215 LEU . 5706 1 106 216 GLY . 5706 1 107 217 GLU . 5706 1 108 218 MET . 5706 1 109 219 TYR . 5706 1 110 220 VAL . 5706 1 111 221 SER . 5706 1 112 222 ASP . 5706 1 113 223 GLU . 5706 1 114 224 ARG . 5706 1 115 225 PHE . 5706 1 116 226 THR . 5706 1 117 227 ARG . 5706 1 118 228 ASN . 5706 1 119 229 ILE . 5706 1 120 230 ASP . 5706 1 121 231 ALA . 5706 1 122 232 ALA . 5706 1 123 233 LYS . 5706 1 124 234 PRO . 5706 1 125 235 GLY . 5706 1 126 236 LEU . 5706 1 127 237 ALA . 5706 1 128 238 ALA . 5706 1 129 239 TYR . 5706 1 130 240 MET . 5706 1 131 241 ARG . 5706 1 132 242 ASP . 5706 1 133 243 ALA . 5706 1 134 244 ILE . 5706 1 135 245 LEU . 5706 1 136 246 ALA . 5706 1 137 247 ASN . 5706 1 138 248 ALA . 5706 1 139 249 VAL . 5706 1 140 250 ARG . 5706 1 141 251 HIS . 5706 1 142 252 THR . 5706 1 143 253 PRO . 5706 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 5706 1 . ILE 2 2 5706 1 . ASN 3 3 5706 1 . LEU 4 4 5706 1 . THR 5 5 5706 1 . PRO 6 6 5706 1 . GLU 7 7 5706 1 . GLU 8 8 5706 1 . LYS 9 9 5706 1 . PHE 10 10 5706 1 . GLU 11 11 5706 1 . VAL 12 12 5706 1 . PHE 13 13 5706 1 . GLY 14 14 5706 1 . ASP 15 15 5706 1 . PHE 16 16 5706 1 . ASP 17 17 5706 1 . PRO 18 18 5706 1 . ASP 19 19 5706 1 . GLN 20 20 5706 1 . TYR 21 21 5706 1 . GLU 22 22 5706 1 . GLU 23 23 5706 1 . GLU 24 24 5706 1 . VAL 25 25 5706 1 . ARG 26 26 5706 1 . GLU 27 27 5706 1 . ARG 28 28 5706 1 . TRP 29 29 5706 1 . GLY 30 30 5706 1 . ASN 31 31 5706 1 . THR 32 32 5706 1 . ASP 33 33 5706 1 . ALA 34 34 5706 1 . TYR 35 35 5706 1 . ARG 36 36 5706 1 . GLN 37 37 5706 1 . SER 38 38 5706 1 . LYS 39 39 5706 1 . GLU 40 40 5706 1 . LYS 41 41 5706 1 . THR 42 42 5706 1 . ALA 43 43 5706 1 . SER 44 44 5706 1 . TYR 45 45 5706 1 . THR 46 46 5706 1 . LYS 47 47 5706 1 . GLU 48 48 5706 1 . ASP 49 49 5706 1 . TRP 50 50 5706 1 . GLN 51 51 5706 1 . ARG 52 52 5706 1 . ILE 53 53 5706 1 . GLN 54 54 5706 1 . ASP 55 55 5706 1 . GLU 56 56 5706 1 . ALA 57 57 5706 1 . ASP 58 58 5706 1 . GLU 59 59 5706 1 . LEU 60 60 5706 1 . THR 61 61 5706 1 . ARG 62 62 5706 1 . ARG 63 63 5706 1 . PHE 64 64 5706 1 . VAL 65 65 5706 1 . ALA 66 66 5706 1 . LEU 67 67 5706 1 . MET 68 68 5706 1 . ASP 69 69 5706 1 . ALA 70 70 5706 1 . GLY 71 71 5706 1 . GLU 72 72 5706 1 . PRO 73 73 5706 1 . ALA 74 74 5706 1 . ASP 75 75 5706 1 . SER 76 76 5706 1 . GLU 77 77 5706 1 . GLY 78 78 5706 1 . ALA 79 79 5706 1 . MET 80 80 5706 1 . ASP 81 81 5706 1 . ALA 82 82 5706 1 . ALA 83 83 5706 1 . GLU 84 84 5706 1 . ASP 85 85 5706 1 . HIS 86 86 5706 1 . ARG 87 87 5706 1 . GLN 88 88 5706 1 . GLY 89 89 5706 1 . ILE 90 90 5706 1 . ALA 91 91 5706 1 . ARG 92 92 5706 1 . ASN 93 93 5706 1 . HIS 94 94 5706 1 . TYR 95 95 5706 1 . ASP 96 96 5706 1 . CYS 97 97 5706 1 . GLY 98 98 5706 1 . TYR 99 99 5706 1 . GLU 100 100 5706 1 . MET 101 101 5706 1 . HIS 102 102 5706 1 . THR 103 103 5706 1 . CYS 104 104 5706 1 . LEU 105 105 5706 1 . GLY 106 106 5706 1 . GLU 107 107 5706 1 . MET 108 108 5706 1 . TYR 109 109 5706 1 . VAL 110 110 5706 1 . SER 111 111 5706 1 . ASP 112 112 5706 1 . GLU 113 113 5706 1 . ARG 114 114 5706 1 . PHE 115 115 5706 1 . THR 116 116 5706 1 . ARG 117 117 5706 1 . ASN 118 118 5706 1 . ILE 119 119 5706 1 . ASP 120 120 5706 1 . ALA 121 121 5706 1 . ALA 122 122 5706 1 . LYS 123 123 5706 1 . PRO 124 124 5706 1 . GLY 125 125 5706 1 . LEU 126 126 5706 1 . ALA 127 127 5706 1 . ALA 128 128 5706 1 . TYR 129 129 5706 1 . MET 130 130 5706 1 . ARG 131 131 5706 1 . ASP 132 132 5706 1 . ALA 133 133 5706 1 . ILE 134 134 5706 1 . LEU 135 135 5706 1 . ALA 136 136 5706 1 . ASN 137 137 5706 1 . ALA 138 138 5706 1 . VAL 139 139 5706 1 . ARG 140 140 5706 1 . HIS 141 141 5706 1 . THR 142 142 5706 1 . PRO 143 143 5706 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 5706 _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 $TipAS . 1916 . . 'Streptomyces lividans' 'Streptomyces lividans' . . Eubacteria . Streptomyces lividans . . . . . . . . . . . . . . . . . . . . . 5706 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 5706 _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 $TipAS . 'recombinant tecHology' 'Escherichia lividans' 'E. coli' . . Escherichia lividans 'XL-1 Blue cells' . . . . . . . . . . . . plasmid . . 'pREP4 and pDS8' . . . . . . 5706 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5706 _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 'Transcriptional activator tipA' [U-15N] . . 1 $TipAS . . 1.5 . . mM . . . . 5706 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5706 _Sample.ID 2 _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 'Transcriptional activator tipA' '[U-13C; U-15N]' . . 1 $TipAS . . 1.5 . . mM . . . . 5706 2 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 5706 _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 pH 5.9 0.1 na 5706 1 temperature 298 0.5 K 5706 1 'ionic strength' 0.006 . M 5706 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5706 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5706 1 stop_ save_ save_Pipp _Software.Sf_category software _Software.Sf_framecode Pipp _Software.Entry_ID 5706 _Software.ID 2 _Software.Name Pipp _Software.Version 4.3.2 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5706 2 stop_ save_ save_Xeasy _Software.Sf_category software _Software.Sf_framecode Xeasy _Software.Entry_ID 5706 _Software.ID 3 _Software.Name Xeasy _Software.Version 1.2 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5706 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5706 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer DRX _NMR_spectrometer.Model Bruker _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5706 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer DRX _NMR_spectrometer.Model Bruker _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5706 _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_1 DRX Bruker . 600 . . . 5706 1 2 NMR_spectrometer_2 DRX Bruker . 800 . . . 5706 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 5706 _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 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5706 1 2 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5706 1 3 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5706 1 4 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5706 1 5 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5706 1 6 CBCANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5706 1 7 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5706 1 8 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5706 1 9 '1H-13C NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5706 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 5706 _NMR_spec_expt.ID 1 _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_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5706 _NMR_spec_expt.ID 2 _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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5706 _NMR_spec_expt.ID 3 _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5706 _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 5706 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCACONH _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 5706 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCANH _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 5706 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCCH-TOCSY _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_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5706 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '1H-15N NOESY' _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_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5706 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '1H-13C NOESY' _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 5706 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 5706 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5706 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5706 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_cs1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode cs1 _Assigned_chem_shift_list.Entry_ID 5706 _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 HNCA . . . 5706 1 2 HN(CO)CA . . . 5706 1 3 HN(CA)CO . . . 5706 1 4 HNCO . . . 5706 1 5 CBCACONH . . . 5706 1 6 CBCANH . . . 5706 1 7 HCCH-TOCSY . . . 5706 1 8 '1H-15N NOESY' . . . 5706 1 9 '1H-13C NOESY' . . . 5706 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY N N 15 113.982 . . 1 . . . . . . . . 5706 1 2 . 1 1 1 1 GLY H H 1 8.226 . . 1 . . . . . . . . 5706 1 3 . 1 1 1 1 GLY CA C 13 45.319 . . 1 . . . . . . . . 5706 1 4 . 1 1 1 1 GLY HA2 H 1 3.914 . . 1 . . . . . . . . 5706 1 5 . 1 1 1 1 GLY C C 13 175.844 . . 1 . . . . . . . . 5706 1 6 . 1 1 2 2 ILE N N 15 118.979 . . 1 . . . . . . . . 5706 1 7 . 1 1 2 2 ILE H H 1 8.031 . . 1 . . . . . . . . 5706 1 8 . 1 1 2 2 ILE CA C 13 61.033 . . 1 . . . . . . . . 5706 1 9 . 1 1 2 2 ILE HA H 1 4.185 . . 1 . . . . . . . . 5706 1 10 . 1 1 2 2 ILE CB C 13 38.980 . . 1 . . . . . . . . 5706 1 11 . 1 1 2 2 ILE C C 13 175.826 . . 1 . . . . . . . . 5706 1 12 . 1 1 3 3 ASN N N 15 122.303 . . 1 . . . . . . . . 5706 1 13 . 1 1 3 3 ASN H H 1 8.552 . . 1 . . . . . . . . 5706 1 14 . 1 1 3 3 ASN CA C 13 53.114 . . 1 . . . . . . . . 5706 1 15 . 1 1 3 3 ASN CB C 13 37.880 . . 1 . . . . . . . . 5706 1 16 . 1 1 3 3 ASN ND2 N 15 112.355 . . 1 . . . . . . . . 5706 1 17 . 1 1 3 3 ASN HD21 H 1 7.553 . . 1 . . . . . . . . 5706 1 18 . 1 1 3 3 ASN HD22 H 1 6.895 . . 1 . . . . . . . . 5706 1 19 . 1 1 3 3 ASN C C 13 174.729 . . 1 . . . . . . . . 5706 1 20 . 1 1 4 4 LEU N N 15 122.807 . . 1 . . . . . . . . 5706 1 21 . 1 1 4 4 LEU H H 1 8.237 . . 1 . . . . . . . . 5706 1 22 . 1 1 4 4 LEU CA C 13 55.070 . . 1 . . . . . . . . 5706 1 23 . 1 1 4 4 LEU HA H 1 4.433 . . 1 . . . . . . . . 5706 1 24 . 1 1 4 4 LEU CB C 13 42.630 . . 1 . . . . . . . . 5706 1 25 . 1 1 5 5 THR CA C 13 58.760 . . 1 . . . . . . . . 5706 1 26 . 1 1 5 5 THR CB C 13 70.440 . . 1 . . . . . . . . 5706 1 27 . 1 1 12 12 VAL CA C 13 61.200 . . 1 . . . . . . . . 5706 1 28 . 1 1 12 12 VAL CB C 13 31.640 . . 1 . . . . . . . . 5706 1 29 . 1 1 12 12 VAL C C 13 178.804 . . 1 . . . . . . . . 5706 1 30 . 1 1 13 13 PHE N N 15 115.559 . . 1 . . . . . . . . 5706 1 31 . 1 1 13 13 PHE H H 1 7.451 . . 1 . . . . . . . . 5706 1 32 . 1 1 13 13 PHE CA C 13 57.722 . . 1 . . . . . . . . 5706 1 33 . 1 1 13 13 PHE CB C 13 40.000 . . 1 . . . . . . . . 5706 1 34 . 1 1 13 13 PHE C C 13 176.224 . . 1 . . . . . . . . 5706 1 35 . 1 1 14 14 GLY N N 15 110.145 . . 1 . . . . . . . . 5706 1 36 . 1 1 14 14 GLY H H 1 8.171 . . 1 . . . . . . . . 5706 1 37 . 1 1 14 14 GLY CA C 13 45.380 . . 1 . . . . . . . . 5706 1 38 . 1 1 14 14 GLY HA2 H 1 3.843 . . 1 . . . . . . . . 5706 1 39 . 1 1 14 14 GLY C C 13 173.402 . . 1 . . . . . . . . 5706 1 40 . 1 1 15 15 ASP N N 15 120.257 . . 1 . . . . . . . . 5706 1 41 . 1 1 15 15 ASP H H 1 8.114 . . 1 . . . . . . . . 5706 1 42 . 1 1 15 15 ASP CA C 13 54.134 . . 1 . . . . . . . . 5706 1 43 . 1 1 15 15 ASP HA H 1 4.598 . . 1 . . . . . . . . 5706 1 44 . 1 1 15 15 ASP CB C 13 41.200 . . 1 . . . . . . . . 5706 1 45 . 1 1 16 16 PHE N N 15 119.928 . . 1 . . . . . . . . 5706 1 46 . 1 1 16 16 PHE H H 1 8.008 . . 1 . . . . . . . . 5706 1 47 . 1 1 16 16 PHE CA C 13 57.415 . . 1 . . . . . . . . 5706 1 48 . 1 1 16 16 PHE HA H 1 3.414 . . 1 . . . . . . . . 5706 1 49 . 1 1 16 16 PHE CB C 13 40.110 . . 1 . . . . . . . . 5706 1 50 . 1 1 29 29 TRP C C 13 176.959 . . 1 . . . . . . . . 5706 1 51 . 1 1 30 30 GLY N N 15 108.725 . . 1 . . . . . . . . 5706 1 52 . 1 1 30 30 GLY H H 1 7.983 . . 1 . . . . . . . . 5706 1 53 . 1 1 30 30 GLY CA C 13 46.100 . . 1 . . . . . . . . 5706 1 54 . 1 1 30 30 GLY HA2 H 1 3.867 . . 1 . . . . . . . . 5706 1 55 . 1 1 30 30 GLY HA3 H 1 3.725 . . 1 . . . . . . . . 5706 1 56 . 1 1 30 30 GLY C C 13 173.800 . . 1 . . . . . . . . 5706 1 57 . 1 1 31 31 ASN N N 15 117.245 . . 1 . . . . . . . . 5706 1 58 . 1 1 31 31 ASN H H 1 8.214 . . 1 . . . . . . . . 5706 1 59 . 1 1 31 31 ASN CA C 13 52.900 . . 1 . . . . . . . . 5706 1 60 . 1 1 31 31 ASN HA H 1 4.881 . . 1 . . . . . . . . 5706 1 61 . 1 1 31 31 ASN CB C 13 38.900 . . 1 . . . . . . . . 5706 1 62 . 1 1 32 32 THR CA C 13 62.200 . . 1 . . . . . . . . 5706 1 63 . 1 1 32 32 THR CB C 13 70.000 . . 1 . . . . . . . . 5706 1 64 . 1 1 33 33 ASP CA C 13 55.700 . . 1 . . . . . . . . 5706 1 65 . 1 1 33 33 ASP CB C 13 40.700 . . 1 . . . . . . . . 5706 1 66 . 1 1 34 34 ALA CA C 13 53.300 . . 1 . . . . . . . . 5706 1 67 . 1 1 34 34 ALA CB C 13 19.100 . . 1 . . . . . . . . 5706 1 68 . 1 1 35 35 TYR CA C 13 58.760 . . 1 . . . . . . . . 5706 1 69 . 1 1 35 35 TYR CB C 13 38.320 . . 1 . . . . . . . . 5706 1 70 . 1 1 43 43 ALA CA C 13 54.100 . . 1 . . . . . . . . 5706 1 71 . 1 1 43 43 ALA CB C 13 18.900 . . 1 . . . . . . . . 5706 1 72 . 1 1 43 43 ALA C C 13 178.358 . . 1 . . . . . . . . 5706 1 73 . 1 1 44 44 SER N N 15 110.370 . . 1 . . . . . . . . 5706 1 74 . 1 1 44 44 SER H H 1 7.605 . . 1 . . . . . . . . 5706 1 75 . 1 1 44 44 SER CA C 13 58.000 . . 1 . . . . . . . . 5706 1 76 . 1 1 44 44 SER CB C 13 63.900 . . 1 . . . . . . . . 5706 1 77 . 1 1 45 45 TYR CA C 13 55.200 . . 1 . . . . . . . . 5706 1 78 . 1 1 45 45 TYR CB C 13 37.000 . . 1 . . . . . . . . 5706 1 79 . 1 1 46 46 THR CA C 13 60.000 . . 1 . . . . . . . . 5706 1 80 . 1 1 46 46 THR CB C 13 72.200 . . 1 . . . . . . . . 5706 1 81 . 1 1 47 47 LYS CA C 13 60.400 . . 1 . . . . . . . . 5706 1 82 . 1 1 47 47 LYS CB C 13 32.200 . . 1 . . . . . . . . 5706 1 83 . 1 1 48 48 GLU CA C 13 60.000 . . 1 . . . . . . . . 5706 1 84 . 1 1 48 48 GLU CB C 13 28.800 . . 1 . . . . . . . . 5706 1 85 . 1 1 49 49 ASP CA C 13 57.400 . . 1 . . . . . . . . 5706 1 86 . 1 1 49 49 ASP CB C 13 40.440 . . 1 . . . . . . . . 5706 1 87 . 1 1 50 50 TRP N N 15 117.846 . . 1 . . . . . . . . 5706 1 88 . 1 1 50 50 TRP H H 1 7.985 . . 1 . . . . . . . . 5706 1 89 . 1 1 50 50 TRP CA C 13 60.248 . . 1 . . . . . . . . 5706 1 90 . 1 1 50 50 TRP HA H 1 4.430 . . 1 . . . . . . . . 5706 1 91 . 1 1 50 50 TRP CB C 13 29.500 . . 1 . . . . . . . . 5706 1 92 . 1 1 51 51 GLN CA C 13 58.500 . . 1 . . . . . . . . 5706 1 93 . 1 1 51 51 GLN CB C 13 28.700 . . 1 . . . . . . . . 5706 1 94 . 1 1 52 52 ARG CA C 13 59.700 . . 1 . . . . . . . . 5706 1 95 . 1 1 52 52 ARG CB C 13 29.200 . . 1 . . . . . . . . 5706 1 96 . 1 1 53 53 ILE CA C 13 65.700 . . 1 . . . . . . . . 5706 1 97 . 1 1 53 53 ILE HA H 1 4.187 . . 1 . . . . . . . . 5706 1 98 . 1 1 53 53 ILE CB C 13 39.201 . . 1 . . . . . . . . 5706 1 99 . 1 1 53 53 ILE HB H 1 38.700 . . 1 . . . . . . . . 5706 1 100 . 1 1 54 54 GLN CA C 13 58.800 . . 1 . . . . . . . . 5706 1 101 . 1 1 54 54 GLN CB C 13 28.300 . . 1 . . . . . . . . 5706 1 102 . 1 1 55 55 ASP N N 15 121.503 . . 1 . . . . . . . . 5706 1 103 . 1 1 55 55 ASP H H 1 8.735 . . 1 . . . . . . . . 5706 1 104 . 1 1 55 55 ASP CA C 13 58.000 . . 1 . . . . . . . . 5706 1 105 . 1 1 55 55 ASP HA H 1 4.427 . . 1 . . . . . . . . 5706 1 106 . 1 1 55 55 ASP CB C 13 40.000 . . 1 . . . . . . . . 5706 1 107 . 1 1 55 55 ASP HB2 H 1 3.004 . . 1 . . . . . . . . 5706 1 108 . 1 1 55 55 ASP HB3 H 1 2.716 . . 1 . . . . . . . . 5706 1 109 . 1 1 55 55 ASP C C 13 179.998 . . 1 . . . . . . . . 5706 1 110 . 1 1 56 56 GLU N N 15 120.768 . . 1 . . . . . . . . 5706 1 111 . 1 1 56 56 GLU H H 1 8.352 . . 1 . . . . . . . . 5706 1 112 . 1 1 56 56 GLU CA C 13 59.443 . . 1 . . . . . . . . 5706 1 113 . 1 1 56 56 GLU HA H 1 4.023 . . 1 . . . . . . . . 5706 1 114 . 1 1 56 56 GLU CB C 13 29.647 . . 1 . . . . . . . . 5706 1 115 . 1 1 56 56 GLU HB2 H 1 2.190 . . 1 . . . . . . . . 5706 1 116 . 1 1 56 56 GLU HB3 H 1 2.028 . . 1 . . . . . . . . 5706 1 117 . 1 1 56 56 GLU CG C 13 36.610 . . 1 . . . . . . . . 5706 1 118 . 1 1 56 56 GLU HG2 H 1 2.639 . . 1 . . . . . . . . 5706 1 119 . 1 1 56 56 GLU HG3 H 1 2.191 . . 1 . . . . . . . . 5706 1 120 . 1 1 56 56 GLU C C 13 179.853 . . 1 . . . . . . . . 5706 1 121 . 1 1 57 57 ALA N N 15 123.947 . . 1 . . . . . . . . 5706 1 122 . 1 1 57 57 ALA H H 1 8.111 . . 1 . . . . . . . . 5706 1 123 . 1 1 57 57 ALA CA C 13 55.449 . . 1 . . . . . . . . 5706 1 124 . 1 1 57 57 ALA HA H 1 4.304 . . 1 . . . . . . . . 5706 1 125 . 1 1 57 57 ALA HB1 H 1 1.622 . . 1 . . . . . . . . 5706 1 126 . 1 1 57 57 ALA HB2 H 1 1.622 . . 1 . . . . . . . . 5706 1 127 . 1 1 57 57 ALA HB3 H 1 1.622 . . 1 . . . . . . . . 5706 1 128 . 1 1 57 57 ALA CB C 13 18.202 . . 1 . . . . . . . . 5706 1 129 . 1 1 57 57 ALA C C 13 180.649 . . 1 . . . . . . . . 5706 1 130 . 1 1 58 58 ASP N N 15 120.537 . . 1 . . . . . . . . 5706 1 131 . 1 1 58 58 ASP H H 1 8.942 . . 1 . . . . . . . . 5706 1 132 . 1 1 58 58 ASP CA C 13 57.485 . . 1 . . . . . . . . 5706 1 133 . 1 1 58 58 ASP HA H 1 4.467 . . 1 . . . . . . . . 5706 1 134 . 1 1 58 58 ASP CB C 13 40.555 . . 1 . . . . . . . . 5706 1 135 . 1 1 58 58 ASP HB2 H 1 2.964 . . 1 . . . . . . . . 5706 1 136 . 1 1 58 58 ASP HB3 H 1 2.759 . . 1 . . . . . . . . 5706 1 137 . 1 1 58 58 ASP C C 13 178.768 . . 1 . . . . . . . . 5706 1 138 . 1 1 59 59 GLU N N 15 120.981 . . 1 . . . . . . . . 5706 1 139 . 1 1 59 59 GLU H H 1 8.049 . . 1 . . . . . . . . 5706 1 140 . 1 1 59 59 GLU CA C 13 59.371 . . 1 . . . . . . . . 5706 1 141 . 1 1 59 59 GLU HA H 1 4.143 . . 1 . . . . . . . . 5706 1 142 . 1 1 59 59 GLU CB C 13 29.148 . . 1 . . . . . . . . 5706 1 143 . 1 1 59 59 GLU HB2 H 1 2.149 . . 1 . . . . . . . . 5706 1 144 . 1 1 59 59 GLU CG C 13 36.072 . . 1 . . . . . . . . 5706 1 145 . 1 1 59 59 GLU HG2 H 1 2.352 . . 1 . . . . . . . . 5706 1 146 . 1 1 59 59 GLU C C 13 178.889 . . 1 . . . . . . . . 5706 1 147 . 1 1 60 60 LEU N N 15 120.729 . . 1 . . . . . . . . 5706 1 148 . 1 1 60 60 LEU H H 1 7.736 . . 1 . . . . . . . . 5706 1 149 . 1 1 60 60 LEU CA C 13 58.228 . . 1 . . . . . . . . 5706 1 150 . 1 1 60 60 LEU HA H 1 4.184 . . 1 . . . . . . . . 5706 1 151 . 1 1 60 60 LEU CB C 13 41.981 . . 1 . . . . . . . . 5706 1 152 . 1 1 60 60 LEU HB2 H 1 2.147 . . 1 . . . . . . . . 5706 1 153 . 1 1 60 60 LEU HB3 H 1 1.877 . . 1 . . . . . . . . 5706 1 154 . 1 1 60 60 LEU CG C 13 27.861 . . 1 . . . . . . . . 5706 1 155 . 1 1 60 60 LEU HG H 1 1.955 . . 1 . . . . . . . . 5706 1 156 . 1 1 60 60 LEU HD11 H 1 1.126 . . 1 . . . . . . . . 5706 1 157 . 1 1 60 60 LEU HD12 H 1 1.126 . . 1 . . . . . . . . 5706 1 158 . 1 1 60 60 LEU HD13 H 1 1.126 . . 1 . . . . . . . . 5706 1 159 . 1 1 60 60 LEU CD1 C 13 25.559 . . 1 . . . . . . . . 5706 1 160 . 1 1 60 60 LEU C C 13 179.021 . . 1 . . . . . . . . 5706 1 161 . 1 1 61 61 THR N N 15 118.057 . . 1 . . . . . . . . 5706 1 162 . 1 1 61 61 THR H H 1 8.765 . . 1 . . . . . . . . 5706 1 163 . 1 1 61 61 THR CA C 13 68.371 . . 1 . . . . . . . . 5706 1 164 . 1 1 61 61 THR HA H 1 4.062 . . 1 . . . . . . . . 5706 1 165 . 1 1 61 61 THR HB H 1 4.504 . . 1 . . . . . . . . 5706 1 166 . 1 1 61 61 THR HG21 H 1 1.230 . . 1 . . . . . . . . 5706 1 167 . 1 1 61 61 THR HG22 H 1 1.230 . . 1 . . . . . . . . 5706 1 168 . 1 1 61 61 THR HG23 H 1 1.230 . . 1 . . . . . . . . 5706 1 169 . 1 1 61 61 THR CG2 C 13 22.336 . . 1 . . . . . . . . 5706 1 170 . 1 1 61 61 THR C C 13 176.007 . . 1 . . . . . . . . 5706 1 171 . 1 1 62 62 ARG N N 15 119.028 . . 1 . . . . . . . . 5706 1 172 . 1 1 62 62 ARG H H 1 8.148 . . 1 . . . . . . . . 5706 1 173 . 1 1 62 62 ARG CA C 13 60.371 . . 1 . . . . . . . . 5706 1 174 . 1 1 62 62 ARG HA H 1 3.914 . . 1 . . . . . . . . 5706 1 175 . 1 1 62 62 ARG CB C 13 28.611 . . 1 . . . . . . . . 5706 1 176 . 1 1 62 62 ARG HB2 H 1 2.069 . . 1 . . . . . . . . 5706 1 177 . 1 1 62 62 ARG HB3 H 1 1.913 . . 1 . . . . . . . . 5706 1 178 . 1 1 62 62 ARG HG3 H 1 1.621 . . 1 . . . . . . . . 5706 1 179 . 1 1 62 62 ARG CD C 13 43.746 . . 1 . . . . . . . . 5706 1 180 . 1 1 62 62 ARG HD2 H 1 3.288 . . 1 . . . . . . . . 5706 1 181 . 1 1 62 62 ARG C C 13 179.612 . . 1 . . . . . . . . 5706 1 182 . 1 1 63 63 ARG N N 15 120.670 . . 1 . . . . . . . . 5706 1 183 . 1 1 63 63 ARG H H 1 8.038 . . 1 . . . . . . . . 5706 1 184 . 1 1 63 63 ARG CA C 13 59.660 . . 1 . . . . . . . . 5706 1 185 . 1 1 63 63 ARG HA H 1 4.062 . . 1 . . . . . . . . 5706 1 186 . 1 1 63 63 ARG CB C 13 30.859 . . 1 . . . . . . . . 5706 1 187 . 1 1 63 63 ARG HB2 H 1 2.028 . . 1 . . . . . . . . 5706 1 188 . 1 1 63 63 ARG HB3 H 1 1.902 . . 1 . . . . . . . . 5706 1 189 . 1 1 63 63 ARG CG C 13 26.557 . . 1 . . . . . . . . 5706 1 190 . 1 1 63 63 ARG HG2 H 1 1.910 . . 1 . . . . . . . . 5706 1 191 . 1 1 63 63 ARG HG3 H 1 1.501 . . 1 . . . . . . . . 5706 1 192 . 1 1 63 63 ARG CD C 13 44.821 . . 1 . . . . . . . . 5706 1 193 . 1 1 63 63 ARG HD2 H 1 3.284 . . 1 . . . . . . . . 5706 1 194 . 1 1 63 63 ARG NE N 15 82.169 . . 1 . . . . . . . . 5706 1 195 . 1 1 63 63 ARG HE H 1 7.392 . . 1 . . . . . . . . 5706 1 196 . 1 1 63 63 ARG C C 13 179.624 . . 1 . . . . . . . . 5706 1 197 . 1 1 64 64 PHE N N 15 118.356 . . 1 . . . . . . . . 5706 1 198 . 1 1 64 64 PHE H H 1 8.523 . . 1 . . . . . . . . 5706 1 199 . 1 1 64 64 PHE CA C 13 63.658 . . 1 . . . . . . . . 5706 1 200 . 1 1 64 64 PHE HA H 1 4.346 . . 1 . . . . . . . . 5706 1 201 . 1 1 64 64 PHE CB C 13 40.555 . . 1 . . . . . . . . 5706 1 202 . 1 1 64 64 PHE HB2 H 1 3.208 . . 1 . . . . . . . . 5706 1 203 . 1 1 64 64 PHE HB3 H 1 3.044 . . 1 . . . . . . . . 5706 1 204 . 1 1 64 64 PHE HD1 H 1 7.456 . . 1 . . . . . . . . 5706 1 205 . 1 1 64 64 PHE HE1 H 1 7.176 . . 1 . . . . . . . . 5706 1 206 . 1 1 64 64 PHE HZ H 1 6.870 . . 1 . . . . . . . . 5706 1 207 . 1 1 64 64 PHE C C 13 178.069 . . 1 . . . . . . . . 5706 1 208 . 1 1 65 65 VAL N N 15 118.909 . . 1 . . . . . . . . 5706 1 209 . 1 1 65 65 VAL H H 1 8.721 . . 1 . . . . . . . . 5706 1 210 . 1 1 65 65 VAL CA C 13 67.485 . . 1 . . . . . . . . 5706 1 211 . 1 1 65 65 VAL HA H 1 3.372 . . 1 . . . . . . . . 5706 1 212 . 1 1 65 65 VAL CB C 13 31.786 . . 1 . . . . . . . . 5706 1 213 . 1 1 65 65 VAL HB H 1 2.107 . . 1 . . . . . . . . 5706 1 214 . 1 1 65 65 VAL HG11 H 1 0.928 . . 1 . . . . . . . . 5706 1 215 . 1 1 65 65 VAL HG12 H 1 0.928 . . 1 . . . . . . . . 5706 1 216 . 1 1 65 65 VAL HG13 H 1 0.928 . . 1 . . . . . . . . 5706 1 217 . 1 1 65 65 VAL HG21 H 1 1.051 . . 1 . . . . . . . . 5706 1 218 . 1 1 65 65 VAL HG22 H 1 1.051 . . 1 . . . . . . . . 5706 1 219 . 1 1 65 65 VAL HG23 H 1 1.051 . . 1 . . . . . . . . 5706 1 220 . 1 1 65 65 VAL CG1 C 13 24.562 . . 1 . . . . . . . . 5706 1 221 . 1 1 65 65 VAL CG2 C 13 21.722 . . 1 . . . . . . . . 5706 1 222 . 1 1 65 65 VAL C C 13 177.116 . . 1 . . . . . . . . 5706 1 223 . 1 1 66 66 ALA N N 15 120.239 . . 1 . . . . . . . . 5706 1 224 . 1 1 66 66 ALA H H 1 8.015 . . 1 . . . . . . . . 5706 1 225 . 1 1 66 66 ALA CA C 13 55.244 . . 1 . . . . . . . . 5706 1 226 . 1 1 66 66 ALA HA H 1 4.184 . . 1 . . . . . . . . 5706 1 227 . 1 1 66 66 ALA HB1 H 1 1.499 . . 1 . . . . . . . . 5706 1 228 . 1 1 66 66 ALA HB2 H 1 1.499 . . 1 . . . . . . . . 5706 1 229 . 1 1 66 66 ALA HB3 H 1 1.499 . . 1 . . . . . . . . 5706 1 230 . 1 1 66 66 ALA CB C 13 18.088 . . 1 . . . . . . . . 5706 1 231 . 1 1 66 66 ALA C C 13 181.662 . . 1 . . . . . . . . 5706 1 232 . 1 1 67 67 LEU N N 15 121.455 . . 1 . . . . . . . . 5706 1 233 . 1 1 67 67 LEU H H 1 7.694 . . 1 . . . . . . . . 5706 1 234 . 1 1 67 67 LEU CA C 13 58.734 . . 1 . . . . . . . . 5706 1 235 . 1 1 67 67 LEU HA H 1 3.980 . . 1 . . . . . . . . 5706 1 236 . 1 1 67 67 LEU CB C 13 41.767 . . 1 . . . . . . . . 5706 1 237 . 1 1 67 67 LEU HB2 H 1 2.231 . . 1 . . . . . . . . 5706 1 238 . 1 1 67 67 LEU HB3 H 1 1.823 . . 1 . . . . . . . . 5706 1 239 . 1 1 67 67 LEU CG C 13 26.403 . . 1 . . . . . . . . 5706 1 240 . 1 1 67 67 LEU HG H 1 1.742 . . 1 . . . . . . . . 5706 1 241 . 1 1 67 67 LEU HD11 H 1 0.807 . . 1 . . . . . . . . 5706 1 242 . 1 1 67 67 LEU HD12 H 1 0.807 . . 1 . . . . . . . . 5706 1 243 . 1 1 67 67 LEU HD13 H 1 0.807 . . 1 . . . . . . . . 5706 1 244 . 1 1 67 67 LEU HD21 H 1 0.643 . . 1 . . . . . . . . 5706 1 245 . 1 1 67 67 LEU HD22 H 1 0.643 . . 1 . . . . . . . . 5706 1 246 . 1 1 67 67 LEU HD23 H 1 0.643 . . 1 . . . . . . . . 5706 1 247 . 1 1 67 67 LEU CD1 C 13 23.641 . . 1 . . . . . . . . 5706 1 248 . 1 1 67 67 LEU C C 13 178.672 . . 1 . . . . . . . . 5706 1 249 . 1 1 68 68 MET N N 15 118.709 . . 1 . . . . . . . . 5706 1 250 . 1 1 68 68 MET H H 1 7.947 . . 1 . . . . . . . . 5706 1 251 . 1 1 68 68 MET CA C 13 59.884 . . 1 . . . . . . . . 5706 1 252 . 1 1 68 68 MET HA H 1 3.576 . . 1 . . . . . . . . 5706 1 253 . 1 1 68 68 MET CB C 13 33.569 . . 1 . . . . . . . . 5706 1 254 . 1 1 68 68 MET HB2 H 1 1.862 . . 1 . . . . . . . . 5706 1 255 . 1 1 68 68 MET HB3 H 1 1.744 . . 1 . . . . . . . . 5706 1 256 . 1 1 68 68 MET CG C 13 30.854 . . 1 . . . . . . . . 5706 1 257 . 1 1 68 68 MET HG2 H 1 1.942 . . 1 . . . . . . . . 5706 1 258 . 1 1 68 68 MET HG3 H 1 1.092 . . 1 . . . . . . . . 5706 1 259 . 1 1 68 68 MET C C 13 181.614 . . 1 . . . . . . . . 5706 1 260 . 1 1 69 69 ASP N N 15 121.346 . . 1 . . . . . . . . 5706 1 261 . 1 1 69 69 ASP H H 1 9.032 . . 1 . . . . . . . . 5706 1 262 . 1 1 69 69 ASP CA C 13 57.112 . . 1 . . . . . . . . 5706 1 263 . 1 1 69 69 ASP HA H 1 4.386 . . 1 . . . . . . . . 5706 1 264 . 1 1 69 69 ASP CB C 13 40.199 . . 1 . . . . . . . . 5706 1 265 . 1 1 69 69 ASP HB2 H 1 2.718 . . 1 . . . . . . . . 5706 1 266 . 1 1 69 69 ASP HB3 H 1 2.600 . . 1 . . . . . . . . 5706 1 267 . 1 1 69 69 ASP C C 13 177.779 . . 1 . . . . . . . . 5706 1 268 . 1 1 70 70 ALA N N 15 120.191 . . 1 . . . . . . . . 5706 1 269 . 1 1 70 70 ALA H H 1 7.684 . . 1 . . . . . . . . 5706 1 270 . 1 1 70 70 ALA CA C 13 52.389 . . 1 . . . . . . . . 5706 1 271 . 1 1 70 70 ALA HA H 1 4.386 . . 1 . . . . . . . . 5706 1 272 . 1 1 70 70 ALA HB1 H 1 1.620 . . 1 . . . . . . . . 5706 1 273 . 1 1 70 70 ALA HB2 H 1 1.620 . . 1 . . . . . . . . 5706 1 274 . 1 1 70 70 ALA HB3 H 1 1.620 . . 1 . . . . . . . . 5706 1 275 . 1 1 70 70 ALA CB C 13 19.310 . . 1 . . . . . . . . 5706 1 276 . 1 1 70 70 ALA C C 13 177.972 . . 1 . . . . . . . . 5706 1 277 . 1 1 71 71 GLY N N 15 107.087 . . 1 . . . . . . . . 5706 1 278 . 1 1 71 71 GLY H H 1 7.931 . . 1 . . . . . . . . 5706 1 279 . 1 1 71 71 GLY CA C 13 45.664 . . 1 . . . . . . . . 5706 1 280 . 1 1 71 71 GLY HA2 H 1 4.144 . . 1 . . . . . . . . 5706 1 281 . 1 1 71 71 GLY HA3 H 1 3.816 . . 1 . . . . . . . . 5706 1 282 . 1 1 71 71 GLY C C 13 175.669 . . 1 . . . . . . . . 5706 1 283 . 1 1 72 72 GLU N N 15 120.172 . . 1 . . . . . . . . 5706 1 284 . 1 1 72 72 GLU H H 1 7.899 . . 1 . . . . . . . . 5706 1 285 . 1 1 72 72 GLU CA C 13 54.225 . . 1 . . . . . . . . 5706 1 286 . 1 1 72 72 GLU HA H 1 4.728 . . 1 . . . . . . . . 5706 1 287 . 1 1 72 72 GLU CB C 13 28.650 . . 1 . . . . . . . . 5706 1 288 . 1 1 72 72 GLU HB2 H 1 2.189 . . 1 . . . . . . . . 5706 1 289 . 1 1 72 72 GLU HB3 H 1 1.825 . . 1 . . . . . . . . 5706 1 290 . 1 1 72 72 GLU HG2 H 1 2.414 . . 1 . . . . . . . . 5706 1 291 . 1 1 73 73 PRO CD C 13 50.960 . . 1 . . . . . . . . 5706 1 292 . 1 1 73 73 PRO CA C 13 62.871 . . 1 . . . . . . . . 5706 1 293 . 1 1 73 73 PRO HA H 1 4.754 . . 1 . . . . . . . . 5706 1 294 . 1 1 73 73 PRO CB C 13 33.141 . . 1 . . . . . . . . 5706 1 295 . 1 1 73 73 PRO HB2 H 1 2.480 . . 1 . . . . . . . . 5706 1 296 . 1 1 73 73 PRO HB3 H 1 2.271 . . 1 . . . . . . . . 5706 1 297 . 1 1 73 73 PRO CG C 13 27.785 . . 1 . . . . . . . . 5706 1 298 . 1 1 73 73 PRO HG3 H 1 2.150 . . 1 . . . . . . . . 5706 1 299 . 1 1 73 73 PRO HD2 H 1 4.102 . . 1 . . . . . . . . 5706 1 300 . 1 1 73 73 PRO C C 13 177.188 . . 1 . . . . . . . . 5706 1 301 . 1 1 74 74 ALA N N 15 125.023 . . 1 . . . . . . . . 5706 1 302 . 1 1 74 74 ALA H H 1 9.108 . . 1 . . . . . . . . 5706 1 303 . 1 1 74 74 ALA CA C 13 54.467 . . 1 . . . . . . . . 5706 1 304 . 1 1 74 74 ALA HA H 1 3.411 . . 1 . . . . . . . . 5706 1 305 . 1 1 74 74 ALA HB1 H 1 0.929 . . 1 . . . . . . . . 5706 1 306 . 1 1 74 74 ALA HB2 H 1 0.929 . . 1 . . . . . . . . 5706 1 307 . 1 1 74 74 ALA HB3 H 1 0.929 . . 1 . . . . . . . . 5706 1 308 . 1 1 74 74 ALA CB C 13 19.528 . . 1 . . . . . . . . 5706 1 309 . 1 1 74 74 ALA C C 13 173.439 . . 1 . . . . . . . . 5706 1 310 . 1 1 75 75 ASP N N 15 107.063 . . 1 . . . . . . . . 5706 1 311 . 1 1 75 75 ASP H H 1 7.391 . . 1 . . . . . . . . 5706 1 312 . 1 1 75 75 ASP CA C 13 50.981 . . 1 . . . . . . . . 5706 1 313 . 1 1 75 75 ASP HA H 1 4.509 . . 1 . . . . . . . . 5706 1 314 . 1 1 75 75 ASP CB C 13 39.629 . . 1 . . . . . . . . 5706 1 315 . 1 1 75 75 ASP HB2 H 1 2.269 . . 1 . . . . . . . . 5706 1 316 . 1 1 75 75 ASP HB3 H 1 3.029 . . 1 . . . . . . . . 5706 1 317 . 1 1 75 75 ASP C C 13 176.815 . . 1 . . . . . . . . 5706 1 318 . 1 1 76 76 SER N N 15 113.429 . . 1 . . . . . . . . 5706 1 319 . 1 1 76 76 SER H H 1 7.700 . . 1 . . . . . . . . 5706 1 320 . 1 1 76 76 SER CA C 13 57.921 . . 1 . . . . . . . . 5706 1 321 . 1 1 76 76 SER HA H 1 4.387 . . 1 . . . . . . . . 5706 1 322 . 1 1 76 76 SER CB C 13 66.150 . . 1 . . . . . . . . 5706 1 323 . 1 1 76 76 SER HB3 H 1 4.142 . . 1 . . . . . . . . 5706 1 324 . 1 1 76 76 SER C C 13 174.777 . . 1 . . . . . . . . 5706 1 325 . 1 1 77 77 GLU N N 15 121.904 . . 1 . . . . . . . . 5706 1 326 . 1 1 77 77 GLU H H 1 9.090 . . 1 . . . . . . . . 5706 1 327 . 1 1 77 77 GLU CA C 13 60.790 . . 1 . . . . . . . . 5706 1 328 . 1 1 77 77 GLU HA H 1 3.735 . . 1 . . . . . . . . 5706 1 329 . 1 1 77 77 GLU CB C 13 29.550 . . 1 . . . . . . . . 5706 1 330 . 1 1 77 77 GLU HB2 H 1 2.028 . . 1 . . . . . . . . 5706 1 331 . 1 1 77 77 GLU CG C 13 36.610 . . 1 . . . . . . . . 5706 1 332 . 1 1 77 77 GLU HG2 H 1 2.312 . . 1 . . . . . . . . 5706 1 333 . 1 1 77 77 GLU C C 13 178.286 . . 1 . . . . . . . . 5706 1 334 . 1 1 78 78 GLY N N 15 103.456 . . 1 . . . . . . . . 5706 1 335 . 1 1 78 78 GLY H H 1 8.711 . . 1 . . . . . . . . 5706 1 336 . 1 1 78 78 GLY CA C 13 47.455 . . 1 . . . . . . . . 5706 1 337 . 1 1 78 78 GLY HA2 H 1 3.818 . . 1 . . . . . . . . 5706 1 338 . 1 1 78 78 GLY HA3 H 1 3.698 . . 1 . . . . . . . . 5706 1 339 . 1 1 78 78 GLY C C 13 176.899 . . 1 . . . . . . . . 5706 1 340 . 1 1 79 79 ALA N N 15 125.763 . . 1 . . . . . . . . 5706 1 341 . 1 1 79 79 ALA H H 1 7.742 . . 1 . . . . . . . . 5706 1 342 . 1 1 79 79 ALA CA C 13 55.592 . . 1 . . . . . . . . 5706 1 343 . 1 1 79 79 ALA HA H 1 4.064 . . 1 . . . . . . . . 5706 1 344 . 1 1 79 79 ALA HB1 H 1 1.581 . . 1 . . . . . . . . 5706 1 345 . 1 1 79 79 ALA HB2 H 1 1.581 . . 1 . . . . . . . . 5706 1 346 . 1 1 79 79 ALA HB3 H 1 1.581 . . 1 . . . . . . . . 5706 1 347 . 1 1 79 79 ALA CB C 13 18.631 . . 1 . . . . . . . . 5706 1 348 . 1 1 79 79 ALA C C 13 179.624 . . 1 . . . . . . . . 5706 1 349 . 1 1 80 80 MET N N 15 117.477 . . 1 . . . . . . . . 5706 1 350 . 1 1 80 80 MET H H 1 8.606 . . 1 . . . . . . . . 5706 1 351 . 1 1 80 80 MET CA C 13 60.576 . . 1 . . . . . . . . 5706 1 352 . 1 1 80 80 MET HA H 1 4.102 . . 1 . . . . . . . . 5706 1 353 . 1 1 80 80 MET CB C 13 33.925 . . 1 . . . . . . . . 5706 1 354 . 1 1 80 80 MET HB2 H 1 2.312 . . 1 . . . . . . . . 5706 1 355 . 1 1 80 80 MET HB3 H 1 1.905 . . 1 . . . . . . . . 5706 1 356 . 1 1 80 80 MET CG C 13 32.159 . . 1 . . . . . . . . 5706 1 357 . 1 1 80 80 MET HG2 H 1 3.046 . . 1 . . . . . . . . 5706 1 358 . 1 1 80 80 MET HG3 H 1 2.148 . . 1 . . . . . . . . 5706 1 359 . 1 1 80 80 MET HE1 H 1 1.904 . . 1 . . . . . . . . 5706 1 360 . 1 1 80 80 MET HE2 H 1 1.904 . . 1 . . . . . . . . 5706 1 361 . 1 1 80 80 MET HE3 H 1 1.904 . . 1 . . . . . . . . 5706 1 362 . 1 1 80 80 MET C C 13 178.744 . . 1 . . . . . . . . 5706 1 363 . 1 1 81 81 ASP N N 15 119.891 . . 1 . . . . . . . . 5706 1 364 . 1 1 81 81 ASP H H 1 8.869 . . 1 . . . . . . . . 5706 1 365 . 1 1 81 81 ASP CA C 13 57.350 . . 1 . . . . . . . . 5706 1 366 . 1 1 81 81 ASP HA H 1 4.306 . . 1 . . . . . . . . 5706 1 367 . 1 1 81 81 ASP CB C 13 39.201 . . 1 . . . . . . . . 5706 1 368 . 1 1 81 81 ASP HB2 H 1 2.676 . . 1 . . . . . . . . 5706 1 369 . 1 1 81 81 ASP HB3 H 1 2.798 . . 1 . . . . . . . . 5706 1 370 . 1 1 81 81 ASP C C 13 178.587 . . 1 . . . . . . . . 5706 1 371 . 1 1 82 82 ALA N N 15 123.849 . . 1 . . . . . . . . 5706 1 372 . 1 1 82 82 ALA H H 1 7.550 . . 1 . . . . . . . . 5706 1 373 . 1 1 82 82 ALA CA C 13 55.465 . . 1 . . . . . . . . 5706 1 374 . 1 1 82 82 ALA HA H 1 3.940 . . 1 . . . . . . . . 5706 1 375 . 1 1 82 82 ALA HB1 H 1 0.644 . . 1 . . . . . . . . 5706 1 376 . 1 1 82 82 ALA HB2 H 1 0.644 . . 1 . . . . . . . . 5706 1 377 . 1 1 82 82 ALA HB3 H 1 0.644 . . 1 . . . . . . . . 5706 1 378 . 1 1 82 82 ALA CB C 13 16.109 . . 1 . . . . . . . . 5706 1 379 . 1 1 82 82 ALA C C 13 179.118 . . 1 . . . . . . . . 5706 1 380 . 1 1 83 83 ALA N N 15 120.855 . . 1 . . . . . . . . 5706 1 381 . 1 1 83 83 ALA H H 1 8.443 . . 1 . . . . . . . . 5706 1 382 . 1 1 83 83 ALA CA C 13 55.686 . . 1 . . . . . . . . 5706 1 383 . 1 1 83 83 ALA HA H 1 4.386 . . 1 . . . . . . . . 5706 1 384 . 1 1 83 83 ALA HB1 H 1 1.783 . . 1 . . . . . . . . 5706 1 385 . 1 1 83 83 ALA HB2 H 1 1.783 . . 1 . . . . . . . . 5706 1 386 . 1 1 83 83 ALA HB3 H 1 1.783 . . 1 . . . . . . . . 5706 1 387 . 1 1 83 83 ALA CB C 13 18.525 . . 1 . . . . . . . . 5706 1 388 . 1 1 83 83 ALA C C 13 179.552 . . 1 . . . . . . . . 5706 1 389 . 1 1 84 84 GLU N N 15 122.112 . . 1 . . . . . . . . 5706 1 390 . 1 1 84 84 GLU H H 1 8.826 . . 1 . . . . . . . . 5706 1 391 . 1 1 84 84 GLU CA C 13 58.870 . . 1 . . . . . . . . 5706 1 392 . 1 1 84 84 GLU HA H 1 4.418 . . 1 . . . . . . . . 5706 1 393 . 1 1 84 84 GLU CB C 13 27.437 . . 1 . . . . . . . . 5706 1 394 . 1 1 84 84 GLU HB2 H 1 2.480 . . 1 . . . . . . . . 5706 1 395 . 1 1 84 84 GLU HB3 H 1 2.235 . . 1 . . . . . . . . 5706 1 396 . 1 1 84 84 GLU CG C 13 34.614 . . 1 . . . . . . . . 5706 1 397 . 1 1 84 84 GLU HG2 H 1 2.718 . . 1 . . . . . . . . 5706 1 398 . 1 1 84 84 GLU HG3 H 1 2.351 . . 1 . . . . . . . . 5706 1 399 . 1 1 84 84 GLU C C 13 178.587 . . 1 . . . . . . . . 5706 1 400 . 1 1 85 85 ASP N N 15 121.375 . . 1 . . . . . . . . 5706 1 401 . 1 1 85 85 ASP H H 1 8.297 . . 1 . . . . . . . . 5706 1 402 . 1 1 85 85 ASP CA C 13 57.588 . . 1 . . . . . . . . 5706 1 403 . 1 1 85 85 ASP HA H 1 4.474 . . 1 . . . . . . . . 5706 1 404 . 1 1 85 85 ASP CB C 13 39.771 . . 1 . . . . . . . . 5706 1 405 . 1 1 85 85 ASP HB2 H 1 2.678 . . 1 . . . . . . . . 5706 1 406 . 1 1 85 85 ASP HB3 H 1 2.922 . . 1 . . . . . . . . 5706 1 407 . 1 1 85 85 ASP C C 13 180.082 . . 1 . . . . . . . . 5706 1 408 . 1 1 86 86 HIS N N 15 124.536 . . 1 . . . . . . . . 5706 1 409 . 1 1 86 86 HIS H H 1 8.830 . . 1 . . . . . . . . 5706 1 410 . 1 1 86 86 HIS CA C 13 61.488 . . 1 . . . . . . . . 5706 1 411 . 1 1 86 86 HIS HA H 1 4.224 . . 1 . . . . . . . . 5706 1 412 . 1 1 86 86 HIS CB C 13 31.786 . . 1 . . . . . . . . 5706 1 413 . 1 1 86 86 HIS HB2 H 1 3.411 . . 1 . . . . . . . . 5706 1 414 . 1 1 86 86 HIS HD2 H 1 6.821 . . 1 . . . . . . . . 5706 1 415 . 1 1 86 86 HIS C C 13 177.647 . . 1 . . . . . . . . 5706 1 416 . 1 1 87 87 ARG N N 15 122.573 . . 1 . . . . . . . . 5706 1 417 . 1 1 87 87 ARG H H 1 8.373 . . 1 . . . . . . . . 5706 1 418 . 1 1 87 87 ARG CA C 13 60.180 . . 1 . . . . . . . . 5706 1 419 . 1 1 87 87 ARG HA H 1 3.046 . . 1 . . . . . . . . 5706 1 420 . 1 1 87 87 ARG CB C 13 30.859 . . 1 . . . . . . . . 5706 1 421 . 1 1 87 87 ARG HB2 H 1 1.173 . . 1 . . . . . . . . 5706 1 422 . 1 1 87 87 ARG HB3 H 1 1.864 . . 1 . . . . . . . . 5706 1 423 . 1 1 87 87 ARG HG2 H 1 2.356 . . 1 . . . . . . . . 5706 1 424 . 1 1 87 87 ARG HG3 H 1 0.567 . . 1 . . . . . . . . 5706 1 425 . 1 1 87 87 ARG NE N 15 79.827 . . 1 . . . . . . . . 5706 1 426 . 1 1 87 87 ARG HE H 1 6.672 . . 1 . . . . . . . . 5706 1 427 . 1 1 87 87 ARG C C 13 178.744 . . 1 . . . . . . . . 5706 1 428 . 1 1 88 88 GLN N N 15 115.355 . . 1 . . . . . . . . 5706 1 429 . 1 1 88 88 GLN H H 1 8.495 . . 1 . . . . . . . . 5706 1 430 . 1 1 88 88 GLN CA C 13 58.611 . . 1 . . . . . . . . 5706 1 431 . 1 1 88 88 GLN HA H 1 3.820 . . 1 . . . . . . . . 5706 1 432 . 1 1 88 88 GLN CB C 13 27.936 . . 1 . . . . . . . . 5706 1 433 . 1 1 88 88 GLN HB2 H 1 2.119 . . 1 . . . . . . . . 5706 1 434 . 1 1 88 88 GLN HB3 H 1 2.033 . . 1 . . . . . . . . 5706 1 435 . 1 1 88 88 GLN CG C 13 34.000 . . 1 . . . . . . . . 5706 1 436 . 1 1 88 88 GLN HG2 H 1 2.676 . . 1 . . . . . . . . 5706 1 437 . 1 1 88 88 GLN HG3 H 1 2.358 . . 1 . . . . . . . . 5706 1 438 . 1 1 88 88 GLN NE2 N 15 112.418 . . 1 . . . . . . . . 5706 1 439 . 1 1 88 88 GLN C C 13 179.178 . . 1 . . . . . . . . 5706 1 440 . 1 1 89 89 GLY N N 15 108.919 . . 1 . . . . . . . . 5706 1 441 . 1 1 89 89 GLY H H 1 8.247 . . 1 . . . . . . . . 5706 1 442 . 1 1 89 89 GLY CA C 13 47.100 . . 1 . . . . . . . . 5706 1 443 . 1 1 89 89 GLY HA2 H 1 3.899 . . 1 . . . . . . . . 5706 1 444 . 1 1 89 89 GLY HA3 H 1 3.695 . . 1 . . . . . . . . 5706 1 445 . 1 1 89 89 GLY C C 13 175.669 . . 1 . . . . . . . . 5706 1 446 . 1 1 90 90 ILE N N 15 123.262 . . 1 . . . . . . . . 5706 1 447 . 1 1 90 90 ILE H H 1 7.647 . . 1 . . . . . . . . 5706 1 448 . 1 1 90 90 ILE CA C 13 65.223 . . 1 . . . . . . . . 5706 1 449 . 1 1 90 90 ILE HA H 1 3.615 . . 1 . . . . . . . . 5706 1 450 . 1 1 90 90 ILE HB H 1 1.937 . . 1 . . . . . . . . 5706 1 451 . 1 1 90 90 ILE HG21 H 1 0.719 . . 1 . . . . . . . . 5706 1 452 . 1 1 90 90 ILE HG22 H 1 0.719 . . 1 . . . . . . . . 5706 1 453 . 1 1 90 90 ILE HG23 H 1 0.719 . . 1 . . . . . . . . 5706 1 454 . 1 1 90 90 ILE HD11 H 1 0.681 . . 1 . . . . . . . . 5706 1 455 . 1 1 90 90 ILE HD12 H 1 0.681 . . 1 . . . . . . . . 5706 1 456 . 1 1 90 90 ILE HD13 H 1 0.681 . . 1 . . . . . . . . 5706 1 457 . 1 1 90 90 ILE C C 13 178.659 . . 1 . . . . . . . . 5706 1 458 . 1 1 91 91 ALA N N 15 121.632 . . 1 . . . . . . . . 5706 1 459 . 1 1 91 91 ALA H H 1 7.932 . . 1 . . . . . . . . 5706 1 460 . 1 1 91 91 ALA CA C 13 53.640 . . 1 . . . . . . . . 5706 1 461 . 1 1 91 91 ALA HA H 1 4.388 . . 1 . . . . . . . . 5706 1 462 . 1 1 91 91 ALA HB1 H 1 1.337 . . 1 . . . . . . . . 5706 1 463 . 1 1 91 91 ALA HB2 H 1 1.337 . . 1 . . . . . . . . 5706 1 464 . 1 1 91 91 ALA HB3 H 1 1.337 . . 1 . . . . . . . . 5706 1 465 . 1 1 91 91 ALA CB C 13 18.491 . . 1 . . . . . . . . 5706 1 466 . 1 1 91 91 ALA C C 13 179.540 . . 1 . . . . . . . . 5706 1 467 . 1 1 92 92 ARG N N 15 115.885 . . 1 . . . . . . . . 5706 1 468 . 1 1 92 92 ARG H H 1 8.027 . . 1 . . . . . . . . 5706 1 469 . 1 1 92 92 ARG CA C 13 58.458 . . 1 . . . . . . . . 5706 1 470 . 1 1 92 92 ARG HA H 1 3.982 . . 1 . . . . . . . . 5706 1 471 . 1 1 92 92 ARG CB C 13 31.430 . . 1 . . . . . . . . 5706 1 472 . 1 1 92 92 ARG HB2 H 1 1.823 . . 1 . . . . . . . . 5706 1 473 . 1 1 92 92 ARG HB3 H 1 1.705 . . 1 . . . . . . . . 5706 1 474 . 1 1 92 92 ARG CG C 13 27.861 . . 1 . . . . . . . . 5706 1 475 . 1 1 92 92 ARG CD C 13 43.670 . . 1 . . . . . . . . 5706 1 476 . 1 1 92 92 ARG C C 13 177.840 . . 1 . . . . . . . . 5706 1 477 . 1 1 93 93 ASN N N 15 112.242 . . 1 . . . . . . . . 5706 1 478 . 1 1 93 93 ASN H H 1 7.823 . . 1 . . . . . . . . 5706 1 479 . 1 1 93 93 ASN CA C 13 53.892 . . 1 . . . . . . . . 5706 1 480 . 1 1 93 93 ASN HA H 1 4.588 . . 1 . . . . . . . . 5706 1 481 . 1 1 93 93 ASN CB C 13 40.330 . . 1 . . . . . . . . 5706 1 482 . 1 1 97 97 CYS CA C 13 58.308 . . 1 . . . . . . . . 5706 1 483 . 1 1 97 97 CYS HA H 1 4.794 . . 1 . . . . . . . . 5706 1 484 . 1 1 97 97 CYS CB C 13 27.223 . . 1 . . . . . . . . 5706 1 485 . 1 1 97 97 CYS C C 13 173.101 . . 1 . . . . . . . . 5706 1 486 . 1 1 98 98 GLY N N 15 113.120 . . 1 . . . . . . . . 5706 1 487 . 1 1 98 98 GLY H H 1 8.175 . . 1 . . . . . . . . 5706 1 488 . 1 1 98 98 GLY CA C 13 44.758 . . 1 . . . . . . . . 5706 1 489 . 1 1 98 98 GLY C C 13 173.644 . . 1 . . . . . . . . 5706 1 490 . 1 1 99 99 TYR N N 15 116.804 . . 1 . . . . . . . . 5706 1 491 . 1 1 99 99 TYR H H 1 8.326 . . 1 . . . . . . . . 5706 1 492 . 1 1 99 99 TYR CA C 13 65.294 . . 1 . . . . . . . . 5706 1 493 . 1 1 99 99 TYR HA H 1 4.020 . . 1 . . . . . . . . 5706 1 494 . 1 1 99 99 TYR CB C 13 38.274 . . 1 . . . . . . . . 5706 1 495 . 1 1 99 99 TYR HB2 H 1 2.841 . . 1 . . . . . . . . 5706 1 496 . 1 1 99 99 TYR HB3 H 1 3.125 . . 1 . . . . . . . . 5706 1 497 . 1 1 99 99 TYR HD1 H 1 7.355 . . 1 . . . . . . . . 5706 1 498 . 1 1 99 99 TYR HE1 H 1 6.667 . . 1 . . . . . . . . 5706 1 499 . 1 1 99 99 TYR C C 13 178.057 . . 1 . . . . . . . . 5706 1 500 . 1 1 100 100 GLU N N 15 119.933 . . 1 . . . . . . . . 5706 1 501 . 1 1 100 100 GLU H H 1 8.953 . . 1 . . . . . . . . 5706 1 502 . 1 1 100 100 GLU CA C 13 60.250 . . 1 . . . . . . . . 5706 1 503 . 1 1 100 100 GLU HA H 1 4.143 . . 1 . . . . . . . . 5706 1 504 . 1 1 100 100 GLU CB C 13 30.127 . . 1 . . . . . . . . 5706 1 505 . 1 1 100 100 GLU HB2 H 1 2.148 . . 1 . . . . . . . . 5706 1 506 . 1 1 100 100 GLU HB3 H 1 2.069 . . 1 . . . . . . . . 5706 1 507 . 1 1 100 100 GLU CG C 13 36.840 . . 1 . . . . . . . . 5706 1 508 . 1 1 100 100 GLU HG2 H 1 2.352 . . 1 . . . . . . . . 5706 1 509 . 1 1 100 100 GLU C C 13 179.600 . . 1 . . . . . . . . 5706 1 510 . 1 1 101 101 MET N N 15 120.541 . . 1 . . . . . . . . 5706 1 511 . 1 1 101 101 MET H H 1 8.042 . . 1 . . . . . . . . 5706 1 512 . 1 1 101 101 MET CA C 13 58.402 . . 1 . . . . . . . . 5706 1 513 . 1 1 101 101 MET HA H 1 4.021 . . 1 . . . . . . . . 5706 1 514 . 1 1 101 101 MET CB C 13 32.642 . . 1 . . . . . . . . 5706 1 515 . 1 1 101 101 MET C C 13 177.779 . . 1 . . . . . . . . 5706 1 516 . 1 1 102 102 HIS N N 15 120.598 . . 1 . . . . . . . . 5706 1 517 . 1 1 102 102 HIS H H 1 8.799 . . 1 . . . . . . . . 5706 1 518 . 1 1 102 102 HIS CA C 13 59.327 . . 1 . . . . . . . . 5706 1 519 . 1 1 102 102 HIS HA H 1 4.102 . . 1 . . . . . . . . 5706 1 520 . 1 1 102 102 HIS CB C 13 33.569 . . 1 . . . . . . . . 5706 1 521 . 1 1 102 102 HIS HB2 H 1 3.240 . . 1 . . . . . . . . 5706 1 522 . 1 1 102 102 HIS HB3 H 1 3.004 . . 1 . . . . . . . . 5706 1 523 . 1 1 102 102 HIS C C 13 177.996 . . 1 . . . . . . . . 5706 1 524 . 1 1 103 103 THR N N 15 107.914 . . 1 . . . . . . . . 5706 1 525 . 1 1 103 103 THR H H 1 8.279 . . 1 . . . . . . . . 5706 1 526 . 1 1 103 103 THR CA C 13 65.865 . . 1 . . . . . . . . 5706 1 527 . 1 1 103 103 THR HA H 1 4.297 . . 1 . . . . . . . . 5706 1 528 . 1 1 103 103 THR CB C 13 68.931 . . 1 . . . . . . . . 5706 1 529 . 1 1 103 103 THR HB H 1 3.898 . . 1 . . . . . . . . 5706 1 530 . 1 1 103 103 THR HG21 H 1 1.379 . . 1 . . . . . . . . 5706 1 531 . 1 1 103 103 THR HG22 H 1 1.379 . . 1 . . . . . . . . 5706 1 532 . 1 1 103 103 THR HG23 H 1 1.379 . . 1 . . . . . . . . 5706 1 533 . 1 1 103 103 THR C C 13 176.694 . . 1 . . . . . . . . 5706 1 534 . 1 1 104 104 CYS N N 15 121.659 . . 1 . . . . . . . . 5706 1 535 . 1 1 104 104 CYS H H 1 7.425 . . 1 . . . . . . . . 5706 1 536 . 1 1 104 104 CYS CA C 13 63.103 . . 1 . . . . . . . . 5706 1 537 . 1 1 104 104 CYS HA H 1 4.139 . . 1 . . . . . . . . 5706 1 538 . 1 1 104 104 CYS CB C 13 26.582 . . 1 . . . . . . . . 5706 1 539 . 1 1 104 104 CYS HB2 H 1 3.246 . . 1 . . . . . . . . 5706 1 540 . 1 1 104 104 CYS HB3 H 1 2.962 . . 1 . . . . . . . . 5706 1 541 . 1 1 104 104 CYS C C 13 177.550 . . 1 . . . . . . . . 5706 1 542 . 1 1 105 105 LEU N N 15 122.061 . . 1 . . . . . . . . 5706 1 543 . 1 1 105 105 LEU H H 1 8.083 . . 1 . . . . . . . . 5706 1 544 . 1 1 105 105 LEU CA C 13 58.064 . . 1 . . . . . . . . 5706 1 545 . 1 1 105 105 LEU HA H 1 4.104 . . 1 . . . . . . . . 5706 1 546 . 1 1 105 105 LEU CB C 13 41.340 . . 1 . . . . . . . . 5706 1 547 . 1 1 105 105 LEU HB2 H 1 1.826 . . 1 . . . . . . . . 5706 1 548 . 1 1 105 105 LEU HB3 H 1 1.379 . . 1 . . . . . . . . 5706 1 549 . 1 1 105 105 LEU HG H 1 1.562 . . 1 . . . . . . . . 5706 1 550 . 1 1 105 105 LEU HD21 H 1 0.911 . . 1 . . . . . . . . 5706 1 551 . 1 1 105 105 LEU HD22 H 1 0.911 . . 1 . . . . . . . . 5706 1 552 . 1 1 105 105 LEU HD23 H 1 0.911 . . 1 . . . . . . . . 5706 1 553 . 1 1 105 105 LEU CD1 C 13 26.096 . . 1 . . . . . . . . 5706 1 554 . 1 1 105 105 LEU CD2 C 13 24.101 . . 1 . . . . . . . . 5706 1 555 . 1 1 105 105 LEU C C 13 177.453 . . 1 . . . . . . . . 5706 1 556 . 1 1 106 106 GLY N N 15 102.741 . . 1 . . . . . . . . 5706 1 557 . 1 1 106 106 GLY H H 1 8.138 . . 1 . . . . . . . . 5706 1 558 . 1 1 106 106 GLY CA C 13 47.533 . . 1 . . . . . . . . 5706 1 559 . 1 1 106 106 GLY HA2 H 1 3.293 . . 1 . . . . . . . . 5706 1 560 . 1 1 106 106 GLY HA3 H 1 3.126 . . 1 . . . . . . . . 5706 1 561 . 1 1 106 106 GLY C C 13 174.898 . . 1 . . . . . . . . 5706 1 562 . 1 1 107 107 GLU N N 15 116.738 . . 1 . . . . . . . . 5706 1 563 . 1 1 107 107 GLU H H 1 7.704 . . 1 . . . . . . . . 5706 1 564 . 1 1 107 107 GLU CA C 13 58.436 . . 1 . . . . . . . . 5706 1 565 . 1 1 107 107 GLU HA H 1 4.183 . . 1 . . . . . . . . 5706 1 566 . 1 1 107 107 GLU CB C 13 29.196 . . 1 . . . . . . . . 5706 1 567 . 1 1 107 107 GLU HB2 H 1 2.029 . . 1 . . . . . . . . 5706 1 568 . 1 1 107 107 GLU CG C 13 35.152 . . 1 . . . . . . . . 5706 1 569 . 1 1 107 107 GLU HG2 H 1 2.354 . . 1 . . . . . . . . 5706 1 570 . 1 1 107 107 GLU C C 13 180.275 . . 1 . . . . . . . . 5706 1 571 . 1 1 108 108 MET N N 15 122.149 . . 1 . . . . . . . . 5706 1 572 . 1 1 108 108 MET H H 1 7.822 . . 1 . . . . . . . . 5706 1 573 . 1 1 108 108 MET CA C 13 58.816 . . 1 . . . . . . . . 5706 1 574 . 1 1 108 108 MET HA H 1 4.148 . . 1 . . . . . . . . 5706 1 575 . 1 1 108 108 MET CB C 13 32.397 . . 1 . . . . . . . . 5706 1 576 . 1 1 108 108 MET HB2 H 1 2.595 . . 1 . . . . . . . . 5706 1 577 . 1 1 108 108 MET HB3 H 1 2.353 . . 1 . . . . . . . . 5706 1 578 . 1 1 108 108 MET HG2 H 1 2.105 . . 1 . . . . . . . . 5706 1 579 . 1 1 108 108 MET C C 13 177.707 . . 1 . . . . . . . . 5706 1 580 . 1 1 109 109 TYR N N 15 115.682 . . 1 . . . . . . . . 5706 1 581 . 1 1 109 109 TYR H H 1 7.772 . . 1 . . . . . . . . 5706 1 582 . 1 1 109 109 TYR CA C 13 57.570 . . 1 . . . . . . . . 5706 1 583 . 1 1 109 109 TYR HA H 1 4.428 . . 1 . . . . . . . . 5706 1 584 . 1 1 109 109 TYR CB C 13 36.135 . . 1 . . . . . . . . 5706 1 585 . 1 1 109 109 TYR HB2 H 1 3.375 . . 1 . . . . . . . . 5706 1 586 . 1 1 109 109 TYR HB3 H 1 2.927 . . 1 . . . . . . . . 5706 1 587 . 1 1 109 109 TYR C C 13 176.766 . . 1 . . . . . . . . 5706 1 588 . 1 1 110 110 VAL N N 15 109.498 . . 1 . . . . . . . . 5706 1 589 . 1 1 110 110 VAL H H 1 6.947 . . 1 . . . . . . . . 5706 1 590 . 1 1 110 110 VAL CA C 13 62.429 . . 1 . . . . . . . . 5706 1 591 . 1 1 110 110 VAL HA H 1 4.100 . . 1 . . . . . . . . 5706 1 592 . 1 1 110 110 VAL CB C 13 33.141 . . 1 . . . . . . . . 5706 1 593 . 1 1 110 110 VAL HB H 1 2.150 . . 1 . . . . . . . . 5706 1 594 . 1 1 110 110 VAL CG1 C 13 21.799 . . 1 . . . . . . . . 5706 1 595 . 1 1 110 110 VAL CG2 C 13 17.655 . . 1 . . . . . . . . 5706 1 596 . 1 1 110 110 VAL HG11 H 1 0.889 . . 1 . . . . . . . . 5706 1 597 . 1 1 110 110 VAL HG12 H 1 0.889 . . 1 . . . . . . . . 5706 1 598 . 1 1 110 110 VAL HG13 H 1 0.889 . . 1 . . . . . . . . 5706 1 599 . 1 1 110 110 VAL C C 13 176.357 . . 1 . . . . . . . . 5706 1 600 . 1 1 111 111 SER N N 15 114.812 . . 1 . . . . . . . . 5706 1 601 . 1 1 111 111 SER H H 1 8.203 . . 1 . . . . . . . . 5706 1 602 . 1 1 111 111 SER CA C 13 59.943 . . 1 . . . . . . . . 5706 1 603 . 1 1 111 111 SER HA H 1 4.464 . . 1 . . . . . . . . 5706 1 604 . 1 1 111 111 SER CB C 13 64.368 . . 1 . . . . . . . . 5706 1 605 . 1 1 111 111 SER HB2 H 1 3.982 . . 1 . . . . . . . . 5706 1 606 . 1 1 111 111 SER HB3 H 1 3.858 . . 1 . . . . . . . . 5706 1 607 . 1 1 111 111 SER C C 13 173.993 . . 1 . . . . . . . . 5706 1 608 . 1 1 112 112 ASP N N 15 123.016 . . 1 . . . . . . . . 5706 1 609 . 1 1 112 112 ASP H H 1 8.117 . . 1 . . . . . . . . 5706 1 610 . 1 1 112 112 ASP CA C 13 53.115 . . 1 . . . . . . . . 5706 1 611 . 1 1 112 112 ASP HA H 1 4.916 . . 1 . . . . . . . . 5706 1 612 . 1 1 112 112 ASP CB C 13 42.694 . . 1 . . . . . . . . 5706 1 613 . 1 1 112 112 ASP HB2 H 1 3.370 . . 1 . . . . . . . . 5706 1 614 . 1 1 112 112 ASP HB3 H 1 2.516 . . 1 . . . . . . . . 5706 1 615 . 1 1 112 112 ASP C C 13 176.103 . . 1 . . . . . . . . 5706 1 616 . 1 1 113 113 GLU N N 15 126.012 . . 1 . . . . . . . . 5706 1 617 . 1 1 113 113 GLU H H 1 8.895 . . 1 . . . . . . . . 5706 1 618 . 1 1 113 113 GLU CA C 13 59.240 . . 1 . . . . . . . . 5706 1 619 . 1 1 113 113 GLU HA H 1 4.182 . . 1 . . . . . . . . 5706 1 620 . 1 1 113 113 GLU CB C 13 29.647 . . 1 . . . . . . . . 5706 1 621 . 1 1 113 113 GLU HB2 H 1 2.108 . . 1 . . . . . . . . 5706 1 622 . 1 1 113 113 GLU CG C 13 36.072 . . 1 . . . . . . . . 5706 1 623 . 1 1 113 113 GLU HG2 H 1 2.352 . . 1 . . . . . . . . 5706 1 624 . 1 1 113 113 GLU C C 13 177.418 . . 1 . . . . . . . . 5706 1 625 . 1 1 114 114 ARG N N 15 117.814 . . 1 . . . . . . . . 5706 1 626 . 1 1 114 114 ARG H H 1 8.303 . . 1 . . . . . . . . 5706 1 627 . 1 1 114 114 ARG CA C 13 59.110 . . 1 . . . . . . . . 5706 1 628 . 1 1 114 114 ARG HA H 1 3.940 . . 1 . . . . . . . . 5706 1 629 . 1 1 114 114 ARG HG2 H 1 1.600 . . 1 . . . . . . . . 5706 1 630 . 1 1 114 114 ARG NE N 15 83.245 . . 1 . . . . . . . . 5706 1 631 . 1 1 114 114 ARG HE H 1 7.666 . . 1 . . . . . . . . 5706 1 632 . 1 1 115 115 PHE N N 15 117.195 . . 1 . . . . . . . . 5706 1 633 . 1 1 115 115 PHE H H 1 7.874 . . 1 . . . . . . . . 5706 1 634 . 1 1 115 115 PHE CA C 13 59.836 . . 1 . . . . . . . . 5706 1 635 . 1 1 115 115 PHE C C 13 178.153 . . 1 . . . . . . . . 5706 1 636 . 1 1 116 116 THR N N 15 116.575 . . 1 . . . . . . . . 5706 1 637 . 1 1 116 116 THR H H 1 8.575 . . 1 . . . . . . . . 5706 1 638 . 1 1 116 116 THR CA C 13 67.249 . . 1 . . . . . . . . 5706 1 639 . 1 1 116 116 THR HA H 1 3.757 . . 1 . . . . . . . . 5706 1 640 . 1 1 116 116 THR CB C 13 69.430 . . 1 . . . . . . . . 5706 1 641 . 1 1 116 116 THR HB H 1 3.939 . . 1 . . . . . . . . 5706 1 642 . 1 1 116 116 THR HG21 H 1 1.255 . . 1 . . . . . . . . 5706 1 643 . 1 1 116 116 THR HG22 H 1 1.255 . . 1 . . . . . . . . 5706 1 644 . 1 1 116 116 THR HG23 H 1 1.255 . . 1 . . . . . . . . 5706 1 645 . 1 1 116 116 THR C C 13 176.164 . . 1 . . . . . . . . 5706 1 646 . 1 1 117 117 ARG N N 15 116.198 . . 1 . . . . . . . . 5706 1 647 . 1 1 117 117 ARG H H 1 8.252 . . 1 . . . . . . . . 5706 1 648 . 1 1 117 117 ARG CA C 13 59.193 . . 1 . . . . . . . . 5706 1 649 . 1 1 117 117 ARG HA H 1 4.021 . . 1 . . . . . . . . 5706 1 650 . 1 1 117 117 ARG CB C 13 30.289 . . 1 . . . . . . . . 5706 1 651 . 1 1 117 117 ARG HB2 H 1 1.945 . . 1 . . . . . . . . 5706 1 652 . 1 1 117 117 ARG HB3 H 1 1.817 . . 1 . . . . . . . . 5706 1 653 . 1 1 117 117 ARG CG C 13 27.401 . . 1 . . . . . . . . 5706 1 654 . 1 1 117 117 ARG HG2 H 1 1.738 . . 1 . . . . . . . . 5706 1 655 . 1 1 117 117 ARG HG3 H 1 1.660 . . 1 . . . . . . . . 5706 1 656 . 1 1 117 117 ARG CD C 13 43.823 . . 1 . . . . . . . . 5706 1 657 . 1 1 117 117 ARG HD2 H 1 3.193 . . 1 . . . . . . . . 5706 1 658 . 1 1 117 117 ARG NE N 15 83.055 . . 1 . . . . . . . . 5706 1 659 . 1 1 117 117 ARG HE H 1 7.379 . . 1 . . . . . . . . 5706 1 660 . 1 1 117 117 ARG C C 13 178.599 . . 1 . . . . . . . . 5706 1 661 . 1 1 118 118 ASN N N 15 115.979 . . 1 . . . . . . . . 5706 1 662 . 1 1 118 118 ASN H H 1 7.123 . . 1 . . . . . . . . 5706 1 663 . 1 1 118 118 ASN CA C 13 56.076 . . 1 . . . . . . . . 5706 1 664 . 1 1 118 118 ASN HA H 1 4.469 . . 1 . . . . . . . . 5706 1 665 . 1 1 118 118 ASN CB C 13 39.771 . . 1 . . . . . . . . 5706 1 666 . 1 1 118 118 ASN HB2 H 1 2.707 . . 1 . . . . . . . . 5706 1 667 . 1 1 118 118 ASN C C 13 176.730 . . 1 . . . . . . . . 5706 1 668 . 1 1 119 119 ILE N N 15 121.195 . . 1 . . . . . . . . 5706 1 669 . 1 1 119 119 ILE H H 1 8.191 . . 1 . . . . . . . . 5706 1 670 . 1 1 119 119 ILE CA C 13 64.876 . . 1 . . . . . . . . 5706 1 671 . 1 1 119 119 ILE HA H 1 3.729 . . 1 . . . . . . . . 5706 1 672 . 1 1 119 119 ILE CB C 13 39.272 . . 1 . . . . . . . . 5706 1 673 . 1 1 119 119 ILE HB H 1 1.658 . . 1 . . . . . . . . 5706 1 674 . 1 1 119 119 ILE HG21 H 1 0.769 . . 1 . . . . . . . . 5706 1 675 . 1 1 119 119 ILE HG22 H 1 0.769 . . 1 . . . . . . . . 5706 1 676 . 1 1 119 119 ILE HG23 H 1 0.769 . . 1 . . . . . . . . 5706 1 677 . 1 1 119 119 ILE CG2 C 13 17.502 . . 1 . . . . . . . . 5706 1 678 . 1 1 119 119 ILE HD11 H 1 0.319 . . 1 . . . . . . . . 5706 1 679 . 1 1 119 119 ILE HD12 H 1 0.319 . . 1 . . . . . . . . 5706 1 680 . 1 1 119 119 ILE HD13 H 1 0.319 . . 1 . . . . . . . . 5706 1 681 . 1 1 119 119 ILE C C 13 178.225 . . 1 . . . . . . . . 5706 1 682 . 1 1 120 120 ASP N N 15 118.406 . . 1 . . . . . . . . 5706 1 683 . 1 1 120 120 ASP H H 1 8.674 . . 1 . . . . . . . . 5706 1 684 . 1 1 120 120 ASP CA C 13 55.678 . . 1 . . . . . . . . 5706 1 685 . 1 1 120 120 ASP HA H 1 4.713 . . 1 . . . . . . . . 5706 1 686 . 1 1 120 120 ASP CB C 13 39.201 . . 1 . . . . . . . . 5706 1 687 . 1 1 120 120 ASP HB2 H 1 2.677 . . 1 . . . . . . . . 5706 1 688 . 1 1 120 120 ASP HB3 H 1 2.841 . . 1 . . . . . . . . 5706 1 689 . 1 1 120 120 ASP C C 13 177.550 . . 1 . . . . . . . . 5706 1 690 . 1 1 121 121 ALA N N 15 122.446 . . 1 . . . . . . . . 5706 1 691 . 1 1 121 121 ALA H H 1 7.050 . . 1 . . . . . . . . 5706 1 692 . 1 1 121 121 ALA CA C 13 54.787 . . 1 . . . . . . . . 5706 1 693 . 1 1 121 121 ALA HA H 1 4.061 . . 1 . . . . . . . . 5706 1 694 . 1 1 121 121 ALA HB1 H 1 1.461 . . 1 . . . . . . . . 5706 1 695 . 1 1 121 121 ALA HB2 H 1 1.461 . . 1 . . . . . . . . 5706 1 696 . 1 1 121 121 ALA HB3 H 1 1.461 . . 1 . . . . . . . . 5706 1 697 . 1 1 121 121 ALA CB C 13 18.525 . . 1 . . . . . . . . 5706 1 698 . 1 1 121 121 ALA C C 13 179.479 . . 1 . . . . . . . . 5706 1 699 . 1 1 122 122 ALA N N 15 116.982 . . 1 . . . . . . . . 5706 1 700 . 1 1 122 122 ALA H H 1 7.579 . . 1 . . . . . . . . 5706 1 701 . 1 1 122 122 ALA CA C 13 53.783 . . 1 . . . . . . . . 5706 1 702 . 1 1 122 122 ALA HA H 1 4.223 . . 1 . . . . . . . . 5706 1 703 . 1 1 122 122 ALA HB1 H 1 1.378 . . 1 . . . . . . . . 5706 1 704 . 1 1 122 122 ALA HB2 H 1 1.378 . . 1 . . . . . . . . 5706 1 705 . 1 1 122 122 ALA HB3 H 1 1.378 . . 1 . . . . . . . . 5706 1 706 . 1 1 122 122 ALA CB C 13 19.452 . . 1 . . . . . . . . 5706 1 707 . 1 1 122 122 ALA C C 13 178.213 . . 1 . . . . . . . . 5706 1 708 . 1 1 123 123 LYS N N 15 116.683 . . 1 . . . . . . . . 5706 1 709 . 1 1 123 123 LYS H H 1 6.739 . . 1 . . . . . . . . 5706 1 710 . 1 1 123 123 LYS CA C 13 54.273 . . 1 . . . . . . . . 5706 1 711 . 1 1 123 123 LYS HA H 1 4.474 . . 1 . . . . . . . . 5706 1 712 . 1 1 123 123 LYS HB2 H 1 1.620 . . 1 . . . . . . . . 5706 1 713 . 1 1 123 123 LYS HB3 H 1 2.107 . . 1 . . . . . . . . 5706 1 714 . 1 1 123 123 LYS HG2 H 1 1.447 . . 1 . . . . . . . . 5706 1 715 . 1 1 123 123 LYS HG3 H 1 1.377 . . 1 . . . . . . . . 5706 1 716 . 1 1 123 123 LYS HD2 H 1 1.780 . . 1 . . . . . . . . 5706 1 717 . 1 1 124 124 PRO CD C 13 51.420 . . 1 . . . . . . . . 5706 1 718 . 1 1 124 124 PRO CA C 13 64.297 . . 1 . . . . . . . . 5706 1 719 . 1 1 124 124 PRO CB C 13 31.858 . . 1 . . . . . . . . 5706 1 720 . 1 1 124 124 PRO HB2 H 1 2.352 . . 1 . . . . . . . . 5706 1 721 . 1 1 124 124 PRO HB3 H 1 1.874 . . 1 . . . . . . . . 5706 1 722 . 1 1 124 124 PRO CG C 13 27.938 . . 1 . . . . . . . . 5706 1 723 . 1 1 124 124 PRO HG3 H 1 2.022 . . 1 . . . . . . . . 5706 1 724 . 1 1 124 124 PRO HD2 H 1 3.898 . . 1 . . . . . . . . 5706 1 725 . 1 1 124 124 PRO C C 13 177.466 . . 1 . . . . . . . . 5706 1 726 . 1 1 125 125 GLY N N 15 112.170 . . 1 . . . . . . . . 5706 1 727 . 1 1 125 125 GLY H H 1 8.616 . . 1 . . . . . . . . 5706 1 728 . 1 1 125 125 GLY CA C 13 45.269 . . 1 . . . . . . . . 5706 1 729 . 1 1 125 125 GLY HA2 H 1 4.265 . . 1 . . . . . . . . 5706 1 730 . 1 1 125 125 GLY HA3 H 1 3.941 . . 1 . . . . . . . . 5706 1 731 . 1 1 125 125 GLY C C 13 174.910 . . 1 . . . . . . . . 5706 1 732 . 1 1 126 126 LEU N N 15 126.292 . . 1 . . . . . . . . 5706 1 733 . 1 1 126 126 LEU H H 1 7.960 . . 1 . . . . . . . . 5706 1 734 . 1 1 126 126 LEU CA C 13 57.921 . . 1 . . . . . . . . 5706 1 735 . 1 1 126 126 LEU HA H 1 4.293 . . 1 . . . . . . . . 5706 1 736 . 1 1 126 126 LEU CB C 13 41.839 . . 1 . . . . . . . . 5706 1 737 . 1 1 126 126 LEU HB2 H 1 2.027 . . 1 . . . . . . . . 5706 1 738 . 1 1 126 126 LEU CG C 13 27.478 . . 1 . . . . . . . . 5706 1 739 . 1 1 126 126 LEU HG H 1 1.271 . . 1 . . . . . . . . 5706 1 740 . 1 1 126 126 LEU HD11 H 1 0.930 . . 1 . . . . . . . . 5706 1 741 . 1 1 126 126 LEU HD12 H 1 0.930 . . 1 . . . . . . . . 5706 1 742 . 1 1 126 126 LEU HD13 H 1 0.930 . . 1 . . . . . . . . 5706 1 743 . 1 1 126 126 LEU HD21 H 1 0.762 . . 1 . . . . . . . . 5706 1 744 . 1 1 126 126 LEU HD22 H 1 0.762 . . 1 . . . . . . . . 5706 1 745 . 1 1 126 126 LEU HD23 H 1 0.762 . . 1 . . . . . . . . 5706 1 746 . 1 1 126 126 LEU C C 13 177.297 . . 1 . . . . . . . . 5706 1 747 . 1 1 127 127 ALA N N 15 125.329 . . 1 . . . . . . . . 5706 1 748 . 1 1 127 127 ALA H H 1 10.570 . . 1 . . . . . . . . 5706 1 749 . 1 1 127 127 ALA CA C 13 56.565 . . 1 . . . . . . . . 5706 1 750 . 1 1 127 127 ALA HA H 1 3.737 . . 1 . . . . . . . . 5706 1 751 . 1 1 127 127 ALA HB1 H 1 1.377 . . 1 . . . . . . . . 5706 1 752 . 1 1 127 127 ALA HB2 H 1 1.377 . . 1 . . . . . . . . 5706 1 753 . 1 1 127 127 ALA HB3 H 1 1.377 . . 1 . . . . . . . . 5706 1 754 . 1 1 127 127 ALA CB C 13 18.038 . . 1 . . . . . . . . 5706 1 755 . 1 1 127 127 ALA C C 13 179.057 . . 1 . . . . . . . . 5706 1 756 . 1 1 128 128 ALA N N 15 118.480 . . 1 . . . . . . . . 5706 1 757 . 1 1 128 128 ALA H H 1 8.249 . . 1 . . . . . . . . 5706 1 758 . 1 1 128 128 ALA CA C 13 54.794 . . 1 . . . . . . . . 5706 1 759 . 1 1 128 128 ALA HA H 1 3.820 . . 1 . . . . . . . . 5706 1 760 . 1 1 128 128 ALA HB1 H 1 1.378 . . 1 . . . . . . . . 5706 1 761 . 1 1 128 128 ALA HB2 H 1 1.378 . . 1 . . . . . . . . 5706 1 762 . 1 1 128 128 ALA HB3 H 1 1.378 . . 1 . . . . . . . . 5706 1 763 . 1 1 128 128 ALA CB C 13 17.981 . . 1 . . . . . . . . 5706 1 764 . 1 1 128 128 ALA C C 13 178.768 . . 1 . . . . . . . . 5706 1 765 . 1 1 129 129 TYR N N 15 120.883 . . 1 . . . . . . . . 5706 1 766 . 1 1 129 129 TYR H H 1 7.942 . . 1 . . . . . . . . 5706 1 767 . 1 1 129 129 TYR CA C 13 62.274 . . 1 . . . . . . . . 5706 1 768 . 1 1 129 129 TYR HA H 1 4.102 . . 1 . . . . . . . . 5706 1 769 . 1 1 129 129 TYR CB C 13 40.056 . . 1 . . . . . . . . 5706 1 770 . 1 1 129 129 TYR HB2 H 1 3.044 . . 1 . . . . . . . . 5706 1 771 . 1 1 129 129 TYR HB3 H 1 3.287 . . 1 . . . . . . . . 5706 1 772 . 1 1 129 129 TYR HD1 H 1 6.996 . . 1 . . . . . . . . 5706 1 773 . 1 1 129 129 TYR C C 13 177.779 . . 1 . . . . . . . . 5706 1 774 . 1 1 130 130 MET N N 15 116.306 . . 1 . . . . . . . . 5706 1 775 . 1 1 130 130 MET H H 1 9.018 . . 1 . . . . . . . . 5706 1 776 . 1 1 130 130 MET CA C 13 60.347 . . 1 . . . . . . . . 5706 1 777 . 1 1 130 130 MET HA H 1 3.289 . . 1 . . . . . . . . 5706 1 778 . 1 1 130 130 MET CB C 13 33.283 . . 1 . . . . . . . . 5706 1 779 . 1 1 130 130 MET HB2 H 1 1.984 . . 1 . . . . . . . . 5706 1 780 . 1 1 130 130 MET CG C 13 31.468 . . 1 . . . . . . . . 5706 1 781 . 1 1 130 130 MET HG2 H 1 2.186 . . 1 . . . . . . . . 5706 1 782 . 1 1 130 130 MET HG3 H 1 0.631 . . 1 . . . . . . . . 5706 1 783 . 1 1 130 130 MET HE1 H 1 1.459 . . 1 . . . . . . . . 5706 1 784 . 1 1 130 130 MET HE2 H 1 1.459 . . 1 . . . . . . . . 5706 1 785 . 1 1 130 130 MET HE3 H 1 1.459 . . 1 . . . . . . . . 5706 1 786 . 1 1 130 130 MET C C 13 177.924 . . 1 . . . . . . . . 5706 1 787 . 1 1 131 131 ARG N N 15 118.587 . . 1 . . . . . . . . 5706 1 788 . 1 1 131 131 ARG H H 1 8.446 . . 1 . . . . . . . . 5706 1 789 . 1 1 131 131 ARG CA C 13 60.925 . . 1 . . . . . . . . 5706 1 790 . 1 1 131 131 ARG HA H 1 3.493 . . 1 . . . . . . . . 5706 1 791 . 1 1 131 131 ARG CB C 13 28.364 . . 1 . . . . . . . . 5706 1 792 . 1 1 131 131 ARG HB2 H 1 2.019 . . 1 . . . . . . . . 5706 1 793 . 1 1 131 131 ARG HB3 H 1 1.937 . . 1 . . . . . . . . 5706 1 794 . 1 1 131 131 ARG CG C 13 26.403 . . 1 . . . . . . . . 5706 1 795 . 1 1 131 131 ARG HG2 H 1 1.579 . . 1 . . . . . . . . 5706 1 796 . 1 1 131 131 ARG HG3 H 1 1.213 . . 1 . . . . . . . . 5706 1 797 . 1 1 131 131 ARG CD C 13 42.749 . . 1 . . . . . . . . 5706 1 798 . 1 1 131 131 ARG HD2 H 1 3.171 . . 1 . . . . . . . . 5706 1 799 . 1 1 131 131 ARG NE N 15 82.928 . . 1 . . . . . . . . 5706 1 800 . 1 1 131 131 ARG HE H 1 7.452 . . 1 . . . . . . . . 5706 1 801 . 1 1 131 131 ARG C C 13 178.503 . . 1 . . . . . . . . 5706 1 802 . 1 1 132 132 ASP N N 15 119.911 . . 1 . . . . . . . . 5706 1 803 . 1 1 132 132 ASP H H 1 8.248 . . 1 . . . . . . . . 5706 1 804 . 1 1 132 132 ASP CA C 13 57.644 . . 1 . . . . . . . . 5706 1 805 . 1 1 132 132 ASP HA H 1 4.183 . . 1 . . . . . . . . 5706 1 806 . 1 1 132 132 ASP CB C 13 40.056 . . 1 . . . . . . . . 5706 1 807 . 1 1 132 132 ASP HB2 H 1 2.642 . . 1 . . . . . . . . 5706 1 808 . 1 1 132 132 ASP HB3 H 1 2.273 . . 1 . . . . . . . . 5706 1 809 . 1 1 132 132 ASP C C 13 178.732 . . 1 . . . . . . . . 5706 1 810 . 1 1 133 133 ALA N N 15 127.226 . . 1 . . . . . . . . 5706 1 811 . 1 1 133 133 ALA H H 1 8.607 . . 1 . . . . . . . . 5706 1 812 . 1 1 133 133 ALA CA C 13 55.007 . . 1 . . . . . . . . 5706 1 813 . 1 1 133 133 ALA HA H 1 4.429 . . 1 . . . . . . . . 5706 1 814 . 1 1 133 133 ALA HB1 H 1 1.500 . . 1 . . . . . . . . 5706 1 815 . 1 1 133 133 ALA HB2 H 1 1.500 . . 1 . . . . . . . . 5706 1 816 . 1 1 133 133 ALA HB3 H 1 1.500 . . 1 . . . . . . . . 5706 1 817 . 1 1 133 133 ALA CB C 13 19.310 . . 1 . . . . . . . . 5706 1 818 . 1 1 133 133 ALA C C 13 179.998 . . 1 . . . . . . . . 5706 1 819 . 1 1 134 134 ILE N N 15 120.771 . . 1 . . . . . . . . 5706 1 820 . 1 1 134 134 ILE H H 1 8.845 . . 1 . . . . . . . . 5706 1 821 . 1 1 134 134 ILE CA C 13 65.906 . . 1 . . . . . . . . 5706 1 822 . 1 1 134 134 ILE HA H 1 3.615 . . 1 . . . . . . . . 5706 1 823 . 1 1 134 134 ILE CB C 13 37.918 . . 1 . . . . . . . . 5706 1 824 . 1 1 134 134 ILE HB H 1 1.908 . . 1 . . . . . . . . 5706 1 825 . 1 1 134 134 ILE HG21 H 1 0.346 . . 1 . . . . . . . . 5706 1 826 . 1 1 134 134 ILE HG22 H 1 0.346 . . 1 . . . . . . . . 5706 1 827 . 1 1 134 134 ILE HG23 H 1 0.346 . . 1 . . . . . . . . 5706 1 828 . 1 1 134 134 ILE CG2 C 13 15.649 . . 1 . . . . . . . . 5706 1 829 . 1 1 134 134 ILE CG1 C 13 30.164 . . 1 . . . . . . . . 5706 1 830 . 1 1 134 134 ILE HD11 H 1 0.279 . . 1 . . . . . . . . 5706 1 831 . 1 1 134 134 ILE HD12 H 1 0.279 . . 1 . . . . . . . . 5706 1 832 . 1 1 134 134 ILE HD13 H 1 0.279 . . 1 . . . . . . . . 5706 1 833 . 1 1 134 134 ILE C C 13 179.612 . . 1 . . . . . . . . 5706 1 834 . 1 1 135 135 LEU N N 15 121.808 . . 1 . . . . . . . . 5706 1 835 . 1 1 135 135 LEU H H 1 8.369 . . 1 . . . . . . . . 5706 1 836 . 1 1 135 135 LEU CA C 13 58.516 . . 1 . . . . . . . . 5706 1 837 . 1 1 135 135 LEU HA H 1 4.064 . . 1 . . . . . . . . 5706 1 838 . 1 1 135 135 LEU CB C 13 41.411 . . 1 . . . . . . . . 5706 1 839 . 1 1 135 135 LEU HB2 H 1 1.783 . . 1 . . . . . . . . 5706 1 840 . 1 1 135 135 LEU HB3 H 1 1.663 . . 1 . . . . . . . . 5706 1 841 . 1 1 135 135 LEU CG C 13 27.938 . . 1 . . . . . . . . 5706 1 842 . 1 1 135 135 LEU CD1 C 13 24.178 . . 1 . . . . . . . . 5706 1 843 . 1 1 135 135 LEU HD11 H 1 0.892 . . 1 . . . . . . . . 5706 1 844 . 1 1 135 135 LEU HD12 H 1 0.892 . . 1 . . . . . . . . 5706 1 845 . 1 1 135 135 LEU HD13 H 1 0.892 . . 1 . . . . . . . . 5706 1 846 . 1 1 135 135 LEU C C 13 179.033 . . 1 . . . . . . . . 5706 1 847 . 1 1 136 136 ALA N N 15 121.255 . . 1 . . . . . . . . 5706 1 848 . 1 1 136 136 ALA H H 1 8.195 . . 1 . . . . . . . . 5706 1 849 . 1 1 136 136 ALA CA C 13 55.379 . . 1 . . . . . . . . 5706 1 850 . 1 1 136 136 ALA HA H 1 4.106 . . 1 . . . . . . . . 5706 1 851 . 1 1 136 136 ALA HB1 H 1 1.541 . . 1 . . . . . . . . 5706 1 852 . 1 1 136 136 ALA HB2 H 1 1.541 . . 1 . . . . . . . . 5706 1 853 . 1 1 136 136 ALA HB3 H 1 1.541 . . 1 . . . . . . . . 5706 1 854 . 1 1 136 136 ALA CB C 13 17.235 . . 1 . . . . . . . . 5706 1 855 . 1 1 136 136 ALA C C 13 180.914 . . 1 . . . . . . . . 5706 1 856 . 1 1 137 137 ASN N N 15 117.334 . . 1 . . . . . . . . 5706 1 857 . 1 1 137 137 ASN H H 1 8.972 . . 1 . . . . . . . . 5706 1 858 . 1 1 137 137 ASN CA C 13 56.565 . . 1 . . . . . . . . 5706 1 859 . 1 1 137 137 ASN HA H 1 4.628 . . 1 . . . . . . . . 5706 1 860 . 1 1 137 137 ASN CB C 13 40.555 . . 1 . . . . . . . . 5706 1 861 . 1 1 137 137 ASN HB2 H 1 2.923 . . 1 . . . . . . . . 5706 1 862 . 1 1 137 137 ASN HB3 H 1 3.207 . . 1 . . . . . . . . 5706 1 863 . 1 1 137 137 ASN ND2 N 15 120.708 . . 1 . . . . . . . . 5706 1 864 . 1 1 137 137 ASN HD21 H 1 9.508 . . 1 . . . . . . . . 5706 1 865 . 1 1 137 137 ASN HD22 H 1 8.818 . . 1 . . . . . . . . 5706 1 866 . 1 1 137 137 ASN C C 13 177.225 . . 1 . . . . . . . . 5706 1 867 . 1 1 138 138 ALA N N 15 124.611 . . 1 . . . . . . . . 5706 1 868 . 1 1 138 138 ALA H H 1 8.417 . . 1 . . . . . . . . 5706 1 869 . 1 1 138 138 ALA CA C 13 55.981 . . 1 . . . . . . . . 5706 1 870 . 1 1 138 138 ALA HA H 1 3.940 . . 1 . . . . . . . . 5706 1 871 . 1 1 138 138 ALA HB1 H 1 1.660 . . 1 . . . . . . . . 5706 1 872 . 1 1 138 138 ALA HB2 H 1 1.660 . . 1 . . . . . . . . 5706 1 873 . 1 1 138 138 ALA HB3 H 1 1.660 . . 1 . . . . . . . . 5706 1 874 . 1 1 138 138 ALA CB C 13 18.597 . . 1 . . . . . . . . 5706 1 875 . 1 1 138 138 ALA C C 13 180.950 . . 1 . . . . . . . . 5706 1 876 . 1 1 139 139 VAL N N 15 120.520 . . 1 . . . . . . . . 5706 1 877 . 1 1 139 139 VAL H H 1 8.280 . . 1 . . . . . . . . 5706 1 878 . 1 1 139 139 VAL CA C 13 66.741 . . 1 . . . . . . . . 5706 1 879 . 1 1 139 139 VAL HA H 1 3.615 . . 1 . . . . . . . . 5706 1 880 . 1 1 139 139 VAL CB C 13 31.644 . . 1 . . . . . . . . 5706 1 881 . 1 1 139 139 VAL HB H 1 2.229 . . 1 . . . . . . . . 5706 1 882 . 1 1 139 139 VAL HG11 H 1 0.928 . . 1 . . . . . . . . 5706 1 883 . 1 1 139 139 VAL HG12 H 1 0.928 . . 1 . . . . . . . . 5706 1 884 . 1 1 139 139 VAL HG13 H 1 0.928 . . 1 . . . . . . . . 5706 1 885 . 1 1 139 139 VAL HG21 H 1 1.091 . . 1 . . . . . . . . 5706 1 886 . 1 1 139 139 VAL HG22 H 1 1.091 . . 1 . . . . . . . . 5706 1 887 . 1 1 139 139 VAL HG23 H 1 1.091 . . 1 . . . . . . . . 5706 1 888 . 1 1 139 139 VAL CG1 C 13 23.104 . . 1 . . . . . . . . 5706 1 889 . 1 1 139 139 VAL CG2 C 13 21.339 . . 1 . . . . . . . . 5706 1 890 . 1 1 139 139 VAL C C 13 179.648 . . 1 . . . . . . . . 5706 1 891 . 1 1 140 140 ARG N N 15 116.669 . . 1 . . . . . . . . 5706 1 892 . 1 1 140 140 ARG H H 1 7.633 . . 1 . . . . . . . . 5706 1 893 . 1 1 140 140 ARG CA C 13 58.058 . . 1 . . . . . . . . 5706 1 894 . 1 1 140 140 ARG HA H 1 4.306 . . 1 . . . . . . . . 5706 1 895 . 1 1 140 140 ARG CB C 13 29.148 . . 1 . . . . . . . . 5706 1 896 . 1 1 140 140 ARG HB2 H 1 1.885 . . 1 . . . . . . . . 5706 1 897 . 1 1 140 140 ARG HB3 H 1 1.858 . . 1 . . . . . . . . 5706 1 898 . 1 1 140 140 ARG CG C 13 26.327 . . 1 . . . . . . . . 5706 1 899 . 1 1 140 140 ARG HG3 H 1 1.095 . . 1 . . . . . . . . 5706 1 900 . 1 1 140 140 ARG CD C 13 44.360 . . 1 . . . . . . . . 5706 1 901 . 1 1 140 140 ARG HD2 H 1 3.087 . . 1 . . . . . . . . 5706 1 902 . 1 1 140 140 ARG NE N 15 83.308 . . 1 . . . . . . . . 5706 1 903 . 1 1 140 140 ARG HE H 1 6.893 . . 1 . . . . . . . . 5706 1 904 . 1 1 140 140 ARG C C 13 176.284 . . 1 . . . . . . . . 5706 1 905 . 1 1 141 141 HIS N N 15 115.998 . . 1 . . . . . . . . 5706 1 906 . 1 1 141 141 HIS H H 1 7.197 . . 1 . . . . . . . . 5706 1 907 . 1 1 141 141 HIS CA C 13 56.764 . . 1 . . . . . . . . 5706 1 908 . 1 1 141 141 HIS HA H 1 4.510 . . 1 . . . . . . . . 5706 1 909 . 1 1 141 141 HIS CB C 13 28.863 . . 1 . . . . . . . . 5706 1 910 . 1 1 141 141 HIS HB2 H 1 1.905 . . 1 . . . . . . . . 5706 1 911 . 1 1 141 141 HIS HB3 H 1 3.164 . . 1 . . . . . . . . 5706 1 912 . 1 1 141 141 HIS HE1 H 1 8.657 . . 1 . . . . . . . . 5706 1 913 . 1 1 141 141 HIS C C 13 173.306 . . 1 . . . . . . . . 5706 1 914 . 1 1 142 142 THR N N 15 118.303 . . 1 . . . . . . . . 5706 1 915 . 1 1 142 142 THR H H 1 7.487 . . 1 . . . . . . . . 5706 1 916 . 1 1 142 142 THR CA C 13 60.795 . . 1 . . . . . . . . 5706 1 917 . 1 1 142 142 THR HA H 1 4.552 . . 1 . . . . . . . . 5706 1 918 . 1 1 142 142 THR HB H 1 4.226 . . 1 . . . . . . . . 5706 1 919 . 1 1 142 142 THR HG21 H 1 1.296 . . 1 . . . . . . . . 5706 1 920 . 1 1 142 142 THR HG22 H 1 1.296 . . 1 . . . . . . . . 5706 1 921 . 1 1 142 142 THR HG23 H 1 1.296 . . 1 . . . . . . . . 5706 1 stop_ save_