data_4329 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4329 _Entry.Title ; Sequential Assignment and Secondary Structure Analysis of the NADP(H)-Binding Domain of Escherichia coli Transhydrogenase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-04-09 _Entry.Accession_date 1999-04-09 _Entry.Last_release_date 1999-10-26 _Entry.Original_release_date 1999-10-26 _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 Carina Johansson . . . 4329 2 Anders Bergkvist . . . 4329 3 Ola Fjellstrom . . . 4329 4 Jan Rydstrom . . . 4329 5 Goran Karlsson . . . 4329 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4329 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 343 4329 '15N chemical shifts' 164 4329 '1H chemical shifts' 344 4329 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 . . 1999-10-26 1999-04-09 original author . 4329 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4329 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99410898 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Johansson, C., Bergkvist, A., Fjellstrom, O., Rydstrom, J., and Karlsson, G., "Sequential Assignment and Secondary Structure Analysis of the NADP(H)-Binding Domain of Escherichia coli Transhydrogenase," J. Biomol. NMR, 14, 295-296 (1999). ; _Citation.Title ; Sequential Assignment and Secondary Structure Analysis of the NADP(H)-Binding Domain of Escherichia coli Transhydrogenase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 14 _Citation.Journal_issue . _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 295 _Citation.Page_last 296 _Citation.Year 1999 _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 Carina Johansson . . . 4329 1 2 Anders Bergkvist . . . 4329 1 3 Ola Fjellstrom . . . 4329 1 4 Jan Rydstrom . . . 4329 1 5 Goran Karlsson . . . 4329 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'backbone assignment' 4329 1 'seconary structure' 4329 1 'transhydrogenase NADP(H)-binding domain' 4329 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ecIII _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ecIII _Assembly.Entry_ID 4329 _Assembly.ID 1 _Assembly.Name 'E.coli Transhydrogenase domain III' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 1.6.1.1 _Assembly.Details ; Although a monomer, the protein exhibits unfavourable relaxation properties with a tc of 14 ns. The sequential assignment has thus required deuterium labeling of the protein. ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4329 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 ecIII 1 $ecIII . . . native . . . . . 4329 1 2 NADP+ 2 $NAP . . . native . . . . . 4329 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID ecIII abbreviation 4329 1 'E.coli Transhydrogenase domain III' system 4329 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Reversible reduction of NADP+ by NADH coupled to proton translocation' 4329 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ecIII _Entity.Sf_category entity _Entity.Sf_framecode ecIII _Entity.Entry_ID 4329 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'E.coli transhydrogenase domain III' _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 ; MHHHHHHSSQEVGEHREITA EETAELLKNSHSVIITPGYG MAVAQAQYPVAEITEKLRAR GINVRFGIHPVAGRLPGHMN VLLAEAKVPYDIVLEMDEIN DDFADTDTVLVIGANDTVNP AAQDDPKSPIAGMPVLEVWK AQNVIVFKRSMNTGYAGVQN PLFFKENTHMLFGDAKASVD AILKAL ; _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 186 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20393 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 PDB 2BRU . "Complex Of The Domain I And Domain Iii Of Escherichia Coli Transhydrogenase" . . . . . 100.00 186 100.00 100.00 5.19e-133 . . . . 4329 1 2 no DBJ BAA15336 . "pyridine nucleotide transhydrogenase, beta subunit [Escherichia coli str. K12 substr. W3110]" . . . . . 95.16 462 100.00 100.00 2.88e-123 . . . . 4329 1 3 no DBJ BAB35731 . "pyridine nucleotide transhydrogenase beta subunit [Escherichia coli O157:H7 str. Sakai]" . . . . . 95.16 462 100.00 100.00 2.88e-123 . . . . 4329 1 4 no DBJ BAG77247 . "pyridine nucleotide transhydrogenase beta subunit [Escherichia coli SE11]" . . . . . 95.16 462 100.00 100.00 2.88e-123 . . . . 4329 1 5 no DBJ BAI25577 . "pyridine nucleotide transhydrogenase, beta subunit [Escherichia coli O26:H11 str. 11368]" . . . . . 95.16 462 100.00 100.00 2.88e-123 . . . . 4329 1 6 no DBJ BAI30551 . "pyridine nucleotide transhydrogenase, beta subunit [Escherichia coli O103:H2 str. 12009]" . . . . . 95.16 462 100.00 100.00 2.88e-123 . . . . 4329 1 7 no EMBL CAA46885 . "pyridine nucleotide transhydrogenase [Escherichia coli K-12]" . . . . . 95.16 462 100.00 100.00 2.88e-123 . . . . 4329 1 8 no EMBL CAB37090 . "NAD(P)(+) transhydrogenase subunit beta [Escherichia coli]" . . . . . 95.16 462 100.00 100.00 2.88e-123 . . . . 4329 1 9 no EMBL CAD01834 . "pyridine nucleotide transhydrogenase subunit-beta [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 95.16 462 97.18 98.87 6.85e-121 . . . . 4329 1 10 no EMBL CAP76101 . "Nad(P) transhydrogenase subunit beta [Escherichia coli LF82]" . . . . . 95.16 462 100.00 100.00 2.88e-123 . . . . 4329 1 11 no EMBL CAQ32078 . "pyridine nucleotide transhydrogenase, beta subunit, subunit of pyridine nucleotide transhydrogenase [Escherichia coli BL21(DE3)" . . . . . 95.16 462 100.00 100.00 2.88e-123 . . . . 4329 1 12 no GB AAC74674 . "pyridine nucleotide transhydrogenase, beta subunit [Escherichia coli str. K-12 substr. MG1655]" . . . . . 95.16 462 100.00 100.00 2.88e-123 . . . . 4329 1 13 no GB AAG56589 . "pyridine nucleotide transhydrogenase, beta subunit [Escherichia coli O157:H7 str. EDL933]" . . . . . 95.16 462 100.00 100.00 2.88e-123 . . . . 4329 1 14 no GB AAL20399 . "pyridine nucleotide transhydrogenase, beta subunit [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 95.16 462 97.18 98.87 6.85e-121 . . . . 4329 1 15 no GB AAN43206 . "pyridine nucleotide transhydrogenase, beta subunit [Shigella flexneri 2a str. 301]" . . . . . 95.16 462 100.00 100.00 2.88e-123 . . . . 4329 1 16 no GB AAN80454 . "NAD(P) transhydrogenase subunit beta [Escherichia coli CFT073]" . . . . . 95.16 462 100.00 100.00 2.88e-123 . . . . 4329 1 17 no PIR AI0682 . "NAD(P) transhydrogenase (B-specific) (EC 1.6.1.1) - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 95.16 462 97.18 98.87 6.85e-121 . . . . 4329 1 18 no REF NP_310335 . "pyridine nucleotide transhydrogenase [Escherichia coli O157:H7 str. Sakai]" . . . . . 95.16 462 100.00 100.00 2.88e-123 . . . . 4329 1 19 no REF NP_416119 . "pyridine nucleotide transhydrogenase, beta subunit [Escherichia coli str. K-12 substr. MG1655]" . . . . . 95.16 462 100.00 100.00 2.88e-123 . . . . 4329 1 20 no REF NP_456000 . "pyridine nucleotide transhydrogenase subunit beta [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 95.16 462 97.18 98.87 6.85e-121 . . . . 4329 1 21 no REF NP_460440 . "NAD(P) transhydrogenase subunit beta [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 95.16 462 97.18 98.87 6.85e-121 . . . . 4329 1 22 no REF NP_707499 . "pyridine nucleotide transhydrogenase [Shigella flexneri 2a str. 301]" . . . . . 95.16 462 100.00 100.00 2.88e-123 . . . . 4329 1 23 no SP P0AB67 . "RecName: Full=NAD(P) transhydrogenase subunit beta; AltName: Full=Nicotinamide nucleotide transhydrogenase subunit beta; AltNam" . . . . . 95.16 462 100.00 100.00 2.88e-123 . . . . 4329 1 24 no SP P0AB68 . "RecName: Full=NAD(P) transhydrogenase subunit beta; AltName: Full=Nicotinamide nucleotide transhydrogenase subunit beta; AltNam" . . . . . 95.16 462 100.00 100.00 2.88e-123 . . . . 4329 1 25 no SP P0AB69 . "RecName: Full=NAD(P) transhydrogenase subunit beta; AltName: Full=Nicotinamide nucleotide transhydrogenase subunit beta; AltNam" . . . . . 95.16 462 100.00 100.00 2.88e-123 . . . . 4329 1 26 no SP P0AB70 . "RecName: Full=NAD(P) transhydrogenase subunit beta; AltName: Full=Nicotinamide nucleotide transhydrogenase subunit beta; AltNam" . . . . . 95.16 462 100.00 100.00 2.88e-123 . . . . 4329 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ecIII abbreviation 4329 1 'E.coli transhydrogenase domain III' common 4329 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 . MET . 4329 1 2 . HIS . 4329 1 3 . HIS . 4329 1 4 . HIS . 4329 1 5 . HIS . 4329 1 6 . HIS . 4329 1 7 . HIS . 4329 1 8 . SER . 4329 1 9 . SER . 4329 1 10 . GLN . 4329 1 11 . GLU . 4329 1 12 . VAL . 4329 1 13 . GLY . 4329 1 14 . GLU . 4329 1 15 . HIS . 4329 1 16 . ARG . 4329 1 17 . GLU . 4329 1 18 . ILE . 4329 1 19 . THR . 4329 1 20 . ALA . 4329 1 21 . GLU . 4329 1 22 . GLU . 4329 1 23 . THR . 4329 1 24 . ALA . 4329 1 25 . GLU . 4329 1 26 . LEU . 4329 1 27 . LEU . 4329 1 28 . LYS . 4329 1 29 . ASN . 4329 1 30 . SER . 4329 1 31 . HIS . 4329 1 32 . SER . 4329 1 33 . VAL . 4329 1 34 . ILE . 4329 1 35 . ILE . 4329 1 36 . THR . 4329 1 37 . PRO . 4329 1 38 . GLY . 4329 1 39 . TYR . 4329 1 40 . GLY . 4329 1 41 . MET . 4329 1 42 . ALA . 4329 1 43 . VAL . 4329 1 44 . ALA . 4329 1 45 . GLN . 4329 1 46 . ALA . 4329 1 47 . GLN . 4329 1 48 . TYR . 4329 1 49 . PRO . 4329 1 50 . VAL . 4329 1 51 . ALA . 4329 1 52 . GLU . 4329 1 53 . ILE . 4329 1 54 . THR . 4329 1 55 . GLU . 4329 1 56 . LYS . 4329 1 57 . LEU . 4329 1 58 . ARG . 4329 1 59 . ALA . 4329 1 60 . ARG . 4329 1 61 . GLY . 4329 1 62 . ILE . 4329 1 63 . ASN . 4329 1 64 . VAL . 4329 1 65 . ARG . 4329 1 66 . PHE . 4329 1 67 . GLY . 4329 1 68 . ILE . 4329 1 69 . HIS . 4329 1 70 . PRO . 4329 1 71 . VAL . 4329 1 72 . ALA . 4329 1 73 . GLY . 4329 1 74 . ARG . 4329 1 75 . LEU . 4329 1 76 . PRO . 4329 1 77 . GLY . 4329 1 78 . HIS . 4329 1 79 . MET . 4329 1 80 . ASN . 4329 1 81 . VAL . 4329 1 82 . LEU . 4329 1 83 . LEU . 4329 1 84 . ALA . 4329 1 85 . GLU . 4329 1 86 . ALA . 4329 1 87 . LYS . 4329 1 88 . VAL . 4329 1 89 . PRO . 4329 1 90 . TYR . 4329 1 91 . ASP . 4329 1 92 . ILE . 4329 1 93 . VAL . 4329 1 94 . LEU . 4329 1 95 . GLU . 4329 1 96 . MET . 4329 1 97 . ASP . 4329 1 98 . GLU . 4329 1 99 . ILE . 4329 1 100 . ASN . 4329 1 101 . ASP . 4329 1 102 . ASP . 4329 1 103 . PHE . 4329 1 104 . ALA . 4329 1 105 . ASP . 4329 1 106 . THR . 4329 1 107 . ASP . 4329 1 108 . THR . 4329 1 109 . VAL . 4329 1 110 . LEU . 4329 1 111 . VAL . 4329 1 112 . ILE . 4329 1 113 . GLY . 4329 1 114 . ALA . 4329 1 115 . ASN . 4329 1 116 . ASP . 4329 1 117 . THR . 4329 1 118 . VAL . 4329 1 119 . ASN . 4329 1 120 . PRO . 4329 1 121 . ALA . 4329 1 122 . ALA . 4329 1 123 . GLN . 4329 1 124 . ASP . 4329 1 125 . ASP . 4329 1 126 . PRO . 4329 1 127 . LYS . 4329 1 128 . SER . 4329 1 129 . PRO . 4329 1 130 . ILE . 4329 1 131 . ALA . 4329 1 132 . GLY . 4329 1 133 . MET . 4329 1 134 . PRO . 4329 1 135 . VAL . 4329 1 136 . LEU . 4329 1 137 . GLU . 4329 1 138 . VAL . 4329 1 139 . TRP . 4329 1 140 . LYS . 4329 1 141 . ALA . 4329 1 142 . GLN . 4329 1 143 . ASN . 4329 1 144 . VAL . 4329 1 145 . ILE . 4329 1 146 . VAL . 4329 1 147 . PHE . 4329 1 148 . LYS . 4329 1 149 . ARG . 4329 1 150 . SER . 4329 1 151 . MET . 4329 1 152 . ASN . 4329 1 153 . THR . 4329 1 154 . GLY . 4329 1 155 . TYR . 4329 1 156 . ALA . 4329 1 157 . GLY . 4329 1 158 . VAL . 4329 1 159 . GLN . 4329 1 160 . ASN . 4329 1 161 . PRO . 4329 1 162 . LEU . 4329 1 163 . PHE . 4329 1 164 . PHE . 4329 1 165 . LYS . 4329 1 166 . GLU . 4329 1 167 . ASN . 4329 1 168 . THR . 4329 1 169 . HIS . 4329 1 170 . MET . 4329 1 171 . LEU . 4329 1 172 . PHE . 4329 1 173 . GLY . 4329 1 174 . ASP . 4329 1 175 . ALA . 4329 1 176 . LYS . 4329 1 177 . ALA . 4329 1 178 . SER . 4329 1 179 . VAL . 4329 1 180 . ASP . 4329 1 181 . ALA . 4329 1 182 . ILE . 4329 1 183 . LEU . 4329 1 184 . LYS . 4329 1 185 . ALA . 4329 1 186 . LEU . 4329 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4329 1 . HIS 2 2 4329 1 . HIS 3 3 4329 1 . HIS 4 4 4329 1 . HIS 5 5 4329 1 . HIS 6 6 4329 1 . HIS 7 7 4329 1 . SER 8 8 4329 1 . SER 9 9 4329 1 . GLN 10 10 4329 1 . GLU 11 11 4329 1 . VAL 12 12 4329 1 . GLY 13 13 4329 1 . GLU 14 14 4329 1 . HIS 15 15 4329 1 . ARG 16 16 4329 1 . GLU 17 17 4329 1 . ILE 18 18 4329 1 . THR 19 19 4329 1 . ALA 20 20 4329 1 . GLU 21 21 4329 1 . GLU 22 22 4329 1 . THR 23 23 4329 1 . ALA 24 24 4329 1 . GLU 25 25 4329 1 . LEU 26 26 4329 1 . LEU 27 27 4329 1 . LYS 28 28 4329 1 . ASN 29 29 4329 1 . SER 30 30 4329 1 . HIS 31 31 4329 1 . SER 32 32 4329 1 . VAL 33 33 4329 1 . ILE 34 34 4329 1 . ILE 35 35 4329 1 . THR 36 36 4329 1 . PRO 37 37 4329 1 . GLY 38 38 4329 1 . TYR 39 39 4329 1 . GLY 40 40 4329 1 . MET 41 41 4329 1 . ALA 42 42 4329 1 . VAL 43 43 4329 1 . ALA 44 44 4329 1 . GLN 45 45 4329 1 . ALA 46 46 4329 1 . GLN 47 47 4329 1 . TYR 48 48 4329 1 . PRO 49 49 4329 1 . VAL 50 50 4329 1 . ALA 51 51 4329 1 . GLU 52 52 4329 1 . ILE 53 53 4329 1 . THR 54 54 4329 1 . GLU 55 55 4329 1 . LYS 56 56 4329 1 . LEU 57 57 4329 1 . ARG 58 58 4329 1 . ALA 59 59 4329 1 . ARG 60 60 4329 1 . GLY 61 61 4329 1 . ILE 62 62 4329 1 . ASN 63 63 4329 1 . VAL 64 64 4329 1 . ARG 65 65 4329 1 . PHE 66 66 4329 1 . GLY 67 67 4329 1 . ILE 68 68 4329 1 . HIS 69 69 4329 1 . PRO 70 70 4329 1 . VAL 71 71 4329 1 . ALA 72 72 4329 1 . GLY 73 73 4329 1 . ARG 74 74 4329 1 . LEU 75 75 4329 1 . PRO 76 76 4329 1 . GLY 77 77 4329 1 . HIS 78 78 4329 1 . MET 79 79 4329 1 . ASN 80 80 4329 1 . VAL 81 81 4329 1 . LEU 82 82 4329 1 . LEU 83 83 4329 1 . ALA 84 84 4329 1 . GLU 85 85 4329 1 . ALA 86 86 4329 1 . LYS 87 87 4329 1 . VAL 88 88 4329 1 . PRO 89 89 4329 1 . TYR 90 90 4329 1 . ASP 91 91 4329 1 . ILE 92 92 4329 1 . VAL 93 93 4329 1 . LEU 94 94 4329 1 . GLU 95 95 4329 1 . MET 96 96 4329 1 . ASP 97 97 4329 1 . GLU 98 98 4329 1 . ILE 99 99 4329 1 . ASN 100 100 4329 1 . ASP 101 101 4329 1 . ASP 102 102 4329 1 . PHE 103 103 4329 1 . ALA 104 104 4329 1 . ASP 105 105 4329 1 . THR 106 106 4329 1 . ASP 107 107 4329 1 . THR 108 108 4329 1 . VAL 109 109 4329 1 . LEU 110 110 4329 1 . VAL 111 111 4329 1 . ILE 112 112 4329 1 . GLY 113 113 4329 1 . ALA 114 114 4329 1 . ASN 115 115 4329 1 . ASP 116 116 4329 1 . THR 117 117 4329 1 . VAL 118 118 4329 1 . ASN 119 119 4329 1 . PRO 120 120 4329 1 . ALA 121 121 4329 1 . ALA 122 122 4329 1 . GLN 123 123 4329 1 . ASP 124 124 4329 1 . ASP 125 125 4329 1 . PRO 126 126 4329 1 . LYS 127 127 4329 1 . SER 128 128 4329 1 . PRO 129 129 4329 1 . ILE 130 130 4329 1 . ALA 131 131 4329 1 . GLY 132 132 4329 1 . MET 133 133 4329 1 . PRO 134 134 4329 1 . VAL 135 135 4329 1 . LEU 136 136 4329 1 . GLU 137 137 4329 1 . VAL 138 138 4329 1 . TRP 139 139 4329 1 . LYS 140 140 4329 1 . ALA 141 141 4329 1 . GLN 142 142 4329 1 . ASN 143 143 4329 1 . VAL 144 144 4329 1 . ILE 145 145 4329 1 . VAL 146 146 4329 1 . PHE 147 147 4329 1 . LYS 148 148 4329 1 . ARG 149 149 4329 1 . SER 150 150 4329 1 . MET 151 151 4329 1 . ASN 152 152 4329 1 . THR 153 153 4329 1 . GLY 154 154 4329 1 . TYR 155 155 4329 1 . ALA 156 156 4329 1 . GLY 157 157 4329 1 . VAL 158 158 4329 1 . GLN 159 159 4329 1 . ASN 160 160 4329 1 . PRO 161 161 4329 1 . LEU 162 162 4329 1 . PHE 163 163 4329 1 . PHE 164 164 4329 1 . LYS 165 165 4329 1 . GLU 166 166 4329 1 . ASN 167 167 4329 1 . THR 168 168 4329 1 . HIS 169 169 4329 1 . MET 170 170 4329 1 . LEU 171 171 4329 1 . PHE 172 172 4329 1 . GLY 173 173 4329 1 . ASP 174 174 4329 1 . ALA 175 175 4329 1 . LYS 176 176 4329 1 . ALA 177 177 4329 1 . SER 178 178 4329 1 . VAL 179 179 4329 1 . ASP 180 180 4329 1 . ALA 181 181 4329 1 . ILE 182 182 4329 1 . LEU 183 183 4329 1 . LYS 184 184 4329 1 . ALA 185 185 4329 1 . LEU 186 186 4329 1 stop_ save_ save_NAP _Entity.Sf_category entity _Entity.Sf_framecode NAP _Entity.Entry_ID 4329 _Entity.ID 2 _Entity.BMRB_code NAP _Entity.Name 'NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID NAP _Entity.Nonpolymer_comp_label $chem_comp_NAP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 743.405 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE' BMRB 4329 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE' BMRB 4329 2 NAP 'Three letter code' 4329 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 NAP $chem_comp_NAP 4329 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 NAP C1B 4329 2 2 1 NAP C1D 4329 2 3 1 NAP C2A 4329 2 4 1 NAP C2B 4329 2 5 1 NAP C2D 4329 2 6 1 NAP C2N 4329 2 7 1 NAP C3B 4329 2 8 1 NAP C3D 4329 2 9 1 NAP C3N 4329 2 10 1 NAP C4A 4329 2 11 1 NAP C4B 4329 2 12 1 NAP C4D 4329 2 13 1 NAP C4N 4329 2 14 1 NAP C5A 4329 2 15 1 NAP C5B 4329 2 16 1 NAP C5D 4329 2 17 1 NAP C5N 4329 2 18 1 NAP C6A 4329 2 19 1 NAP C6N 4329 2 20 1 NAP C7N 4329 2 21 1 NAP C8A 4329 2 22 1 NAP H1B 4329 2 23 1 NAP H1D 4329 2 24 1 NAP H2A 4329 2 25 1 NAP H2B 4329 2 26 1 NAP H2D 4329 2 27 1 NAP H2N 4329 2 28 1 NAP H3B 4329 2 29 1 NAP H3D 4329 2 30 1 NAP H4B 4329 2 31 1 NAP H4D 4329 2 32 1 NAP H4N 4329 2 33 1 NAP H51A 4329 2 34 1 NAP H51N 4329 2 35 1 NAP H52A 4329 2 36 1 NAP H52N 4329 2 37 1 NAP H5N 4329 2 38 1 NAP H61A 4329 2 39 1 NAP H62A 4329 2 40 1 NAP H6N 4329 2 41 1 NAP H71N 4329 2 42 1 NAP H72N 4329 2 43 1 NAP H8A 4329 2 44 1 NAP HO2N 4329 2 45 1 NAP HO3A 4329 2 46 1 NAP HO3N 4329 2 47 1 NAP HOA2 4329 2 48 1 NAP HOP2 4329 2 49 1 NAP HOP3 4329 2 50 1 NAP N1A 4329 2 51 1 NAP N1N 4329 2 52 1 NAP N3A 4329 2 53 1 NAP N6A 4329 2 54 1 NAP N7A 4329 2 55 1 NAP N7N 4329 2 56 1 NAP N9A 4329 2 57 1 NAP O1A 4329 2 58 1 NAP O1N 4329 2 59 1 NAP O1X 4329 2 60 1 NAP O2A 4329 2 61 1 NAP O2B 4329 2 62 1 NAP O2D 4329 2 63 1 NAP O2N 4329 2 64 1 NAP O2X 4329 2 65 1 NAP O3 4329 2 66 1 NAP O3B 4329 2 67 1 NAP O3D 4329 2 68 1 NAP O3X 4329 2 69 1 NAP O4B 4329 2 70 1 NAP O4D 4329 2 71 1 NAP O5B 4329 2 72 1 NAP O5D 4329 2 73 1 NAP O7N 4329 2 74 1 NAP P2B 4329 2 75 1 NAP PA 4329 2 76 1 NAP PN 4329 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4329 _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 $ecIII . 562 . . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 4329 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 4329 _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 $ecIII . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . . . . . . . . 4329 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_NAP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NAP _Chem_comp.Entry_ID 4329 _Chem_comp.ID NAP _Chem_comp.Provenance PDB _Chem_comp.Name 'NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code NAP _Chem_comp.PDB_code NAP _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-12-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code NAP _Chem_comp.Number_atoms_all 76 _Chem_comp.Number_atoms_nh 48 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms '2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE' _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C21 H28 N7 O17 P3' _Chem_comp.Formula_weight 743.405 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1D4O _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N SMILES 'OpenEye OEToolkits' 1.5.0 4329 NAP c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4329 NAP InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 InChI InChI 1.03 4329 NAP NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P@@](O)(=O)OC[C@H]3O[C@H]([C@H](O[P](O)(O)=O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O SMILES_CANONICAL CACTVS 3.341 4329 NAP NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O SMILES CACTVS 3.341 4329 NAP XJLXINKUBYWONI-NNYOXOHSSA-N InChIKey InChI 1.03 4329 NAP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4329 NAP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID PA PA PA AP . P . . R 0 . . . 1 no no . . . . 17.174 . 26.134 . 12.040 . -0.035 -0.972 0.719 1 . 4329 NAP O1A O1A O1A AO1 . O . . N 0 . . . 1 no no . . . . 16.048 . 25.314 . 12.500 . 0.490 -0.256 1.903 2 . 4329 NAP O2A O2A O2A AO2 . O . . N 0 . . . 1 no no . . . . 18.478 . 26.114 . 12.670 . -0.725 -2.349 1.187 3 . 4329 NAP O5B O5B O5B AO5* . O . . N 0 . . . 1 no no . . . . 17.317 . 25.889 . 10.437 . -1.126 -0.051 -0.026 4 . 4329 NAP C5B C5B C5B AC5* . C . . N 0 . . . 1 no no . . . . 17.813 . 26.990 . 9.495 . -2.109 0.297 0.952 5 . 4329 NAP C4B C4B C4B AC4* . C . . R 0 . . . 1 no no . . . . 17.962 . 26.155 . 8.345 . -3.181 1.177 0.307 6 . 4329 NAP O4B O4B O4B AO4* . O . . N 0 . . . 1 no no . . . . 17.859 . 27.351 . 7.294 . -3.920 0.416 -0.663 7 . 4329 NAP C3B C3B C3B AC3* . C . . R 0 . . . 1 no no . . . . 18.840 . 25.789 . 7.535 . -4.181 1.655 1.377 8 . 4329 NAP O3B O3B O3B AO3* . O . . N 0 . . . 1 no no . . . . 18.208 . 24.597 . 7.839 . -4.196 3.082 1.456 9 . 4329 NAP C2B C2B C2B AC2* . C . . R 0 . . . 1 no no . . . . 19.276 . 25.751 . 6.147 . -5.550 1.124 0.876 10 . 4329 NAP O2B O2B O2B AO2* . O . . N 0 . . . 1 no no . . . . 18.883 . 24.739 . 5.481 . -6.576 2.099 1.071 11 . 4329 NAP C1B C1B C1B AC1* . C . . R 0 . . . 1 no no . . . . 18.394 . 26.894 . 5.988 . -5.279 0.901 -0.633 12 . 4329 NAP N9A N9A N9A AN9 . N . . N 0 . . . 1 yes no . . . . 19.237 . 28.090 . 5.590 . -6.196 -0.101 -1.183 13 . 4329 NAP C8A C8A C8A AC8 . C . . N 0 . . . 1 yes no . . . . 20.466 . 28.637 . 6.011 . -5.978 -1.445 -1.249 14 . 4329 NAP N7A N7A N7A AN7 . N . . N 0 . . . 1 yes no . . . . 20.935 . 29.548 . 5.192 . -7.000 -2.036 -1.795 15 . 4329 NAP C5A C5A C5A AC5 . C . . N 0 . . . 1 yes no . . . . 20.003 . 29.624 . 4.173 . -7.938 -1.111 -2.114 16 . 4329 NAP C6A C6A C6A AC6 . C . . N 0 . . . 1 yes no . . . . 19.935 . 30.402 . 2.975 . -9.210 -1.158 -2.708 17 . 4329 NAP N6A N6A N6A AN6 . N . . N 0 . . . 1 no no . . . . 20.889 . 31.262 . 2.635 . -9.759 -2.363 -3.112 18 . 4329 NAP N1A N1A N1A AN1 . N . . N 0 . . . 1 yes no . . . . 18.841 . 30.230 . 2.153 . -9.874 -0.019 -2.874 19 . 4329 NAP C2A C2A C2A AC2 . C . . N 0 . . . 1 yes no . . . . 17.867 . 29.350 . 2.480 . -9.358 1.135 -2.492 20 . 4329 NAP N3A N3A N3A AN3 . N . . N 0 . . . 1 yes no . . . . 17.859 . 28.574 . 3.579 . -8.171 1.227 -1.931 21 . 4329 NAP C4A C4A C4A AC4 . C . . N 0 . . . 1 yes no . . . . 18.962 . 28.758 . 4.395 . -7.435 0.141 -1.720 22 . 4329 NAP O3 O3 O3 O3 . O . . N 0 . . . 1 no no . . . . 16.458 . 27.566 . 12.208 . 1.175 -1.294 -0.293 23 . 4329 NAP PN PN PN NP . P . . N 0 . . . 1 no no . . . . 15.216 . 28.068 . 13.153 . 2.390 -1.858 0.599 24 . 4329 NAP O1N O1N O1N NO1 . O . . N 0 . . . 1 no no . . . . 13.983 . 27.417 . 12.642 . 2.142 -3.348 0.925 25 . 4329 NAP O2N O2N O2N NO2 . O . . N -1 . . . 1 no no . . . . 15.308 . 29.554 . 13.093 . 2.481 -1.051 1.914 26 . 4329 NAP O5D O5D O5D NO5* . O . . N 0 . . . 1 no no . . . . 15.487 . 27.658 . 14.685 . 3.770 -1.710 -0.218 27 . 4329 NAP C5D C5D C5D NC5* . C . . N 0 . . . 1 no no . . . . 16.599 . 28.169 . 15.475 . 4.818 -2.114 0.665 28 . 4329 NAP C4D C4D C4D NC4* . C . . R 0 . . . 1 no no . . . . 17.395 . 26.968 . 16.025 . 6.164 -1.997 -0.053 29 . 4329 NAP O4D O4D O4D NO4* . O . . N 0 . . . 1 no no . . . . 18.653 . 27.366 . 16.614 . 6.466 -0.613 -0.332 30 . 4329 NAP C3D C3D C3D NC3* . C . . S 0 . . . 1 no no . . . . 16.694 . 26.193 . 17.167 . 7.310 -2.474 0.866 31 . 4329 NAP O3D O3D O3D NO3* . O . . N 0 . . . 1 no no . . . . 17.085 . 24.806 . 17.287 . 7.670 -3.822 0.559 32 . 4329 NAP C2D C2D C2D NC2* . C . . R 0 . . . 1 no no . . . . 17.093 . 26.936 . 18.393 . 8.478 -1.513 0.540 33 . 4329 NAP O2D O2D O2D NO2* . O . . N 0 . . . 1 no no . . . . 16.979 . 26.205 . 19.588 . 9.595 -2.239 0.025 34 . 4329 NAP C1D C1D C1D NC1* . C . . R 0 . . . 1 no no . . . . 18.569 . 27.243 . 18.038 . 7.895 -0.568 -0.534 35 . 4329 NAP N1N N1N N1N NN1 . N . . N 1 . . . 1 yes no . . . . 19.125 . 28.361 . 18.811 . 8.395 0.795 -0.341 36 . 4329 NAP C2N C2N C2N NC2 . C . . N 0 . . . 1 yes no . . . . 18.555 . 29.641 . 18.667 . 9.364 1.237 -1.116 37 . 4329 NAP C3N C3N C3N NC3 . C . . N 0 . . . 1 yes no . . . . 19.141 . 30.683 . 19.465 . 9.869 2.527 -0.955 38 . 4329 NAP C7N C7N C7N NC7 . C . . N 0 . . . 1 no no . . . . 18.652 . 32.050 . 19.414 . 10.961 3.021 -1.820 39 . 4329 NAP O7N O7N O7N NO7 . O . . N 0 . . . 1 no no . . . . 19.161 . 32.943 . 20.102 . 11.430 2.299 -2.678 40 . 4329 NAP N7N N7N N7N NN7 . N . . N 0 . . . 1 no no . . . . 17.622 . 32.390 . 18.616 . 11.437 4.272 -1.658 41 . 4329 NAP C4N C4N C4N NC4 . C . . N 0 . . . 1 yes no . . . . 20.222 . 30.376 . 20.317 . 9.320 3.349 0.037 42 . 4329 NAP C5N C5N C5N NC5 . C . . N 0 . . . 1 yes no . . . . 20.746 . 29.139 . 20.435 . 8.300 2.840 0.821 43 . 4329 NAP C6N C6N C6N NC6 . C . . N 0 . . . 1 yes no . . . . 20.202 . 28.129 . 19.681 . 7.859 1.547 0.601 44 . 4329 NAP P2B P2B P2B AP2* . P . . N 0 . . . 1 no no . . . . 19.664 . 24.555 . 4.097 . -7.765 1.370 1.875 45 . 4329 NAP O1X O1X O1X AOP1 . O . . N 0 . . . 1 no no . . . . 21.117 . 24.360 . 4.404 . -7.226 0.774 3.119 46 . 4329 NAP O2X O2X O2X AOP2 . O . . N 0 . . . 1 no no . . . . 18.964 . 23.410 . 3.543 . -8.903 2.447 2.246 47 . 4329 NAP O3X O3X O3X AOP3 . O . . N 0 . . . 1 no no . . . . 19.391 . 25.798 . 3.381 . -8.402 0.211 0.957 48 . 4329 NAP HOA2 HOA2 HOA2 2HOA . H . . N 0 . . . 0 no no . . . . 19.207 . 26.645 . 12.372 . -1.053 -2.783 0.387 49 . 4329 NAP H51A H51A H51A AH51 . H . . N 0 . . . 0 no no . . . . 17.176 . 27.899 . 9.389 . -2.570 -0.610 1.343 50 . 4329 NAP H52A H52A H52A AH52 . H . . N 0 . . . 0 no no . . . . 18.702 . 27.579 . 9.819 . -1.633 0.843 1.767 51 . 4329 NAP H4B H4B H4B AH4* . H . . N 0 . . . 1 no no . . . . 17.494 . 25.243 . 8.784 . -2.714 2.037 -0.175 52 . 4329 NAP H3B H3B H3B AH3* . H . . N 0 . . . 1 no no . . . . 19.753 . 26.421 . 7.625 . -3.936 1.223 2.347 53 . 4329 NAP HO3A HO3A HO3A AHO3 . H . . N 0 . . . 0 no no . . . . 18.875 . 24.318 . 7.223 . -3.323 3.353 1.772 54 . 4329 NAP H2B H2B H2B AH2* . H . . N 0 . . . 1 no no . . . . 20.353 . 25.734 . 5.862 . -5.809 0.186 1.368 55 . 4329 NAP H1B H1B H1B AH1* . H . . N 0 . . . 1 no no . . . . 17.599 . 26.587 . 5.268 . -5.364 1.839 -1.182 56 . 4329 NAP H8A H8A H8A AH8 . H . . N 0 . . . 1 no no . . . . 21.025 . 28.369 . 6.923 . -5.087 -1.946 -0.899 57 . 4329 NAP H61A H61A H61A AH61 . H . . N 0 . . . 0 no no . . . . 20.840 . 31.816 . 1.780 . -9.265 -3.187 -2.985 58 . 4329 NAP H62A H62A H62A AH62 . H . . N 0 . . . 0 no no . . . . 21.774 . 30.755 . 2.625 . -10.638 -2.382 -3.521 59 . 4329 NAP H2A H2A H2A AH2 . H . . N 0 . . . 1 no no . . . . 17.008 . 29.257 . 1.793 . -9.932 2.037 -2.646 60 . 4329 NAP H51N H51N H51N NH51 . H . . N 0 . . . 0 no no . . . . 17.238 . 28.882 . 14.904 . 4.658 -3.148 0.970 61 . 4329 NAP H52N H52N H52N NH52 . H . . N 0 . . . 0 no no . . . . 16.269 . 28.869 . 16.277 . 4.819 -1.472 1.546 62 . 4329 NAP H4D H4D H4D NH4* . H . . N 0 . . . 1 no no . . . . 17.508 . 26.330 . 15.117 . 6.152 -2.577 -0.976 63 . 4329 NAP H3D H3D H3D NH3* . H . . N 0 . . . 1 no no . . . . 15.595 . 26.147 . 16.979 . 7.022 -2.385 1.913 64 . 4329 NAP HO3N HO3N HO3N NHO3 . H . . N 0 . . . 0 no no . . . . 16.654 . 24.330 . 17.987 . 8.387 -4.064 1.162 65 . 4329 NAP H2D H2D H2D NH2* . H . . N 0 . . . 1 no no . . . . 16.445 . 27.817 . 18.610 . 8.766 -0.948 1.427 66 . 4329 NAP HO2N HO2N HO2N NHO2 . H . . N 0 . . . 0 no no . . . . 17.233 . 26.679 . 20.370 . 9.874 -2.852 0.719 67 . 4329 NAP H1D H1D H1D NH1* . H . . N 0 . . . 1 no no . . . . 19.235 . 26.404 . 18.346 . 8.149 -0.927 -1.532 68 . 4329 NAP H2N H2N H2N NH2 . H . . N 0 . . . 1 no no . . . . 17.710 . 29.814 . 17.978 . 9.778 0.591 -1.876 69 . 4329 NAP H71N H71N H71N NH71 . H . . N 0 . . . 0 no no . . . . 17.202 . 31.653 . 18.048 . 12.153 4.595 -2.226 70 . 4329 NAP H72N H72N H72N NH72 . H . . N 0 . . . 0 no no . . . . 17.278 . 33.349 . 18.580 . 11.060 4.849 -0.976 71 . 4329 NAP H4N H4N H4N NH4 . H . . N 0 . . . 1 no no . . . . 20.691 . 31.159 . 20.935 . 9.684 4.355 0.187 72 . 4329 NAP H5N H5N H5N NH5 . H . . N 0 . . . 1 no no . . . . 21.589 . 28.959 . 21.123 . 7.853 3.445 1.596 73 . 4329 NAP H6N H6N H6N NH6 . H . . N 0 . . . 1 no no . . . . 20.635 . 27.119 . 19.775 . 7.063 1.146 1.211 74 . 4329 NAP HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 no no . . . . 19.427 . 23.300 . 2.721 . -9.594 1.970 2.725 75 . 4329 NAP HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 no no . . . . 19.854 . 25.688 . 2.559 . -8.740 0.640 0.160 76 . 4329 NAP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PA O1A no N 1 . 4329 NAP 2 . SING PA O2A no N 2 . 4329 NAP 3 . SING PA O5B no N 3 . 4329 NAP 4 . SING PA O3 no N 4 . 4329 NAP 5 . SING O2A HOA2 no N 5 . 4329 NAP 6 . SING O5B C5B no N 6 . 4329 NAP 7 . SING C5B C4B no N 7 . 4329 NAP 8 . SING C5B H51A no N 8 . 4329 NAP 9 . SING C5B H52A no N 9 . 4329 NAP 10 . SING C4B O4B no N 10 . 4329 NAP 11 . SING C4B C3B no N 11 . 4329 NAP 12 . SING C4B H4B no N 12 . 4329 NAP 13 . SING O4B C1B no N 13 . 4329 NAP 14 . SING C3B O3B no N 14 . 4329 NAP 15 . SING C3B C2B no N 15 . 4329 NAP 16 . SING C3B H3B no N 16 . 4329 NAP 17 . SING O3B HO3A no N 17 . 4329 NAP 18 . SING C2B O2B no N 18 . 4329 NAP 19 . SING C2B C1B no N 19 . 4329 NAP 20 . SING C2B H2B no N 20 . 4329 NAP 21 . SING O2B P2B no N 21 . 4329 NAP 22 . SING C1B N9A no N 22 . 4329 NAP 23 . SING C1B H1B no N 23 . 4329 NAP 24 . SING N9A C8A yes N 24 . 4329 NAP 25 . SING N9A C4A yes N 25 . 4329 NAP 26 . DOUB C8A N7A yes N 26 . 4329 NAP 27 . SING C8A H8A no N 27 . 4329 NAP 28 . SING N7A C5A yes N 28 . 4329 NAP 29 . SING C5A C6A yes N 29 . 4329 NAP 30 . DOUB C5A C4A yes N 30 . 4329 NAP 31 . SING C6A N6A no N 31 . 4329 NAP 32 . DOUB C6A N1A yes N 32 . 4329 NAP 33 . SING N6A H61A no N 33 . 4329 NAP 34 . SING N6A H62A no N 34 . 4329 NAP 35 . SING N1A C2A yes N 35 . 4329 NAP 36 . DOUB C2A N3A yes N 36 . 4329 NAP 37 . SING C2A H2A no N 37 . 4329 NAP 38 . SING N3A C4A yes N 38 . 4329 NAP 39 . SING O3 PN no N 39 . 4329 NAP 40 . DOUB PN O1N no N 40 . 4329 NAP 41 . SING PN O2N no N 41 . 4329 NAP 42 . SING PN O5D no N 42 . 4329 NAP 43 . SING O5D C5D no N 43 . 4329 NAP 44 . SING C5D C4D no N 44 . 4329 NAP 45 . SING C5D H51N no N 45 . 4329 NAP 46 . SING C5D H52N no N 46 . 4329 NAP 47 . SING C4D O4D no N 47 . 4329 NAP 48 . SING C4D C3D no N 48 . 4329 NAP 49 . SING C4D H4D no N 49 . 4329 NAP 50 . SING O4D C1D no N 50 . 4329 NAP 51 . SING C3D O3D no N 51 . 4329 NAP 52 . SING C3D C2D no N 52 . 4329 NAP 53 . SING C3D H3D no N 53 . 4329 NAP 54 . SING O3D HO3N no N 54 . 4329 NAP 55 . SING C2D O2D no N 55 . 4329 NAP 56 . SING C2D C1D no N 56 . 4329 NAP 57 . SING C2D H2D no N 57 . 4329 NAP 58 . SING O2D HO2N no N 58 . 4329 NAP 59 . SING C1D N1N no N 59 . 4329 NAP 60 . SING C1D H1D no N 60 . 4329 NAP 61 . SING N1N C2N yes N 61 . 4329 NAP 62 . DOUB N1N C6N yes N 62 . 4329 NAP 63 . DOUB C2N C3N yes N 63 . 4329 NAP 64 . SING C2N H2N no N 64 . 4329 NAP 65 . SING C3N C7N no N 65 . 4329 NAP 66 . SING C3N C4N yes N 66 . 4329 NAP 67 . DOUB C7N O7N no N 67 . 4329 NAP 68 . SING C7N N7N no N 68 . 4329 NAP 69 . SING N7N H71N no N 69 . 4329 NAP 70 . SING N7N H72N no N 70 . 4329 NAP 71 . DOUB C4N C5N yes N 71 . 4329 NAP 72 . SING C4N H4N no N 72 . 4329 NAP 73 . SING C5N C6N yes N 73 . 4329 NAP 74 . SING C5N H5N no N 74 . 4329 NAP 75 . SING C6N H6N no N 75 . 4329 NAP 76 . DOUB P2B O1X no N 76 . 4329 NAP 77 . SING P2B O2X no N 77 . 4329 NAP 78 . SING P2B O3X no N 78 . 4329 NAP 79 . SING O2X HOP2 no N 79 . 4329 NAP 80 . SING O3X HOP3 no N 80 . 4329 NAP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4329 _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 'E.coli transhydrogenase domain III' . . . 1 $ecIII . . . 0.9 1.5 mM . . . . 4329 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 4329 _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 7.0 0.2 na 4329 1 temperature 298 1 K 4329 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4329 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity INOVA' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4329 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity INOVA' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4329 _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_one Varian 'Unity INOVA' . 800 . . . 4329 1 2 NMR_spectrometer_two Varian 'Unity INOVA' . 600 . . . 4329 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 4329 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N NOESY' . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4329 1 2 '1H-15N TOCSY' . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4329 1 3 HNCA . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4329 1 4 HN(CO)CA . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4329 1 5 HNCO . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4329 1 6 HCACO . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions . . . . . . . . . . . . . . . . . . . . . 4329 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 4329 _NMR_spec_expt.ID 1 _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_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4329 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N 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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4329 _NMR_spec_expt.ID 3 _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4329 _NMR_spec_expt.ID 4 _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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4329 _NMR_spec_expt.ID 5 _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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4329 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HCACO _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 4329 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 4329 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 4329 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 4329 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 4329 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _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 $sample_one . 4329 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 10 10 GLN H H 1 8.38 . . 1 . . . . . . . . 4329 1 2 . 1 1 10 10 GLN C C 13 175.55 . . 1 . . . . . . . . 4329 1 3 . 1 1 10 10 GLN CA C 13 55.88 . . 1 . . . . . . . . 4329 1 4 . 1 1 10 10 GLN N N 15 120.81 . . 1 . . . . . . . . 4329 1 5 . 1 1 11 11 GLU H H 1 8.29 . . 1 . . . . . . . . 4329 1 6 . 1 1 11 11 GLU C C 13 176.09 . . 1 . . . . . . . . 4329 1 7 . 1 1 11 11 GLU CA C 13 56.53 . . 1 . . . . . . . . 4329 1 8 . 1 1 11 11 GLU N N 15 121.31 . . 1 . . . . . . . . 4329 1 9 . 1 1 12 12 VAL H H 1 8.08 . . 1 . . . . . . . . 4329 1 10 . 1 1 12 12 VAL HA H 1 4.02 . . 1 . . . . . . . . 4329 1 11 . 1 1 12 12 VAL C C 13 175.85 . . 1 . . . . . . . . 4329 1 12 . 1 1 12 12 VAL CA C 13 62.07 . . 1 . . . . . . . . 4329 1 13 . 1 1 12 12 VAL N N 15 119.64 . . 1 . . . . . . . . 4329 1 14 . 1 1 13 13 GLY H H 1 7.78 . . 1 . . . . . . . . 4329 1 15 . 1 1 13 13 GLY HA2 H 1 3.52 . . 2 . . . . . . . . 4329 1 16 . 1 1 13 13 GLY HA3 H 1 3.80 . . 2 . . . . . . . . 4329 1 17 . 1 1 13 13 GLY C C 13 172.63 . . 1 . . . . . . . . 4329 1 18 . 1 1 13 13 GLY CA C 13 44.81 . . 1 . . . . . . . . 4329 1 19 . 1 1 13 13 GLY N N 15 111.02 . . 1 . . . . . . . . 4329 1 20 . 1 1 14 14 GLU H H 1 8.29 . . 1 . . . . . . . . 4329 1 21 . 1 1 14 14 GLU CA C 13 55.93 . . 1 . . . . . . . . 4329 1 22 . 1 1 14 14 GLU N N 15 119.85 . . 1 . . . . . . . . 4329 1 23 . 1 1 17 17 GLU C C 13 175.37 . . 1 . . . . . . . . 4329 1 24 . 1 1 17 17 GLU CA C 13 55.58 . . 1 . . . . . . . . 4329 1 25 . 1 1 18 18 ILE H H 1 8.52 . . 1 . . . . . . . . 4329 1 26 . 1 1 18 18 ILE HA H 1 4.65 . . 1 . . . . . . . . 4329 1 27 . 1 1 18 18 ILE C C 13 172.32 . . 1 . . . . . . . . 4329 1 28 . 1 1 18 18 ILE CA C 13 59.63 . . 1 . . . . . . . . 4329 1 29 . 1 1 18 18 ILE N N 15 123.16 . . 1 . . . . . . . . 4329 1 30 . 1 1 19 19 THR H H 1 7.75 . . 1 . . . . . . . . 4329 1 31 . 1 1 19 19 THR HA H 1 4.72 . . 1 . . . . . . . . 4329 1 32 . 1 1 19 19 THR C C 13 177.90 . . 1 . . . . . . . . 4329 1 33 . 1 1 19 19 THR CA C 13 59.96 . . 1 . . . . . . . . 4329 1 34 . 1 1 19 19 THR N N 15 111.99 . . 1 . . . . . . . . 4329 1 35 . 1 1 20 20 ALA H H 1 9.63 . . 1 . . . . . . . . 4329 1 36 . 1 1 20 20 ALA HA H 1 3.69 . . 1 . . . . . . . . 4329 1 37 . 1 1 20 20 ALA C C 13 178.99 . . 1 . . . . . . . . 4329 1 38 . 1 1 20 20 ALA CA C 13 55.76 . . 1 . . . . . . . . 4329 1 39 . 1 1 20 20 ALA N N 15 126.35 . . 1 . . . . . . . . 4329 1 40 . 1 1 21 21 GLU H H 1 9.02 . . 1 . . . . . . . . 4329 1 41 . 1 1 21 21 GLU HA H 1 3.65 . . 1 . . . . . . . . 4329 1 42 . 1 1 21 21 GLU C C 13 179.47 . . 1 . . . . . . . . 4329 1 43 . 1 1 21 21 GLU CA C 13 61.19 . . 1 . . . . . . . . 4329 1 44 . 1 1 21 21 GLU N N 15 117.51 . . 1 . . . . . . . . 4329 1 45 . 1 1 22 22 GLU H H 1 7.80 . . 1 . . . . . . . . 4329 1 46 . 1 1 22 22 GLU HA H 1 3.92 . . 1 . . . . . . . . 4329 1 47 . 1 1 22 22 GLU C C 13 179.94 . . 1 . . . . . . . . 4329 1 48 . 1 1 22 22 GLU CA C 13 58.73 . . 1 . . . . . . . . 4329 1 49 . 1 1 22 22 GLU N N 15 119.38 . . 1 . . . . . . . . 4329 1 50 . 1 1 23 23 THR H H 1 8.15 . . 1 . . . . . . . . 4329 1 51 . 1 1 23 23 THR HA H 1 3.49 . . 1 . . . . . . . . 4329 1 52 . 1 1 23 23 THR C C 13 175.54 . . 1 . . . . . . . . 4329 1 53 . 1 1 23 23 THR CA C 13 68.86 . . 1 . . . . . . . . 4329 1 54 . 1 1 23 23 THR N N 15 119.04 . . 1 . . . . . . . . 4329 1 55 . 1 1 24 24 ALA H H 1 8.36 . . 1 . . . . . . . . 4329 1 56 . 1 1 24 24 ALA HA H 1 3.72 . . 1 . . . . . . . . 4329 1 57 . 1 1 24 24 ALA C C 13 178.18 . . 1 . . . . . . . . 4329 1 58 . 1 1 24 24 ALA CA C 13 55.86 . . 1 . . . . . . . . 4329 1 59 . 1 1 24 24 ALA N N 15 123.48 . . 1 . . . . . . . . 4329 1 60 . 1 1 25 25 GLU H H 1 7.35 . . 1 . . . . . . . . 4329 1 61 . 1 1 25 25 GLU HA H 1 3.84 . . 1 . . . . . . . . 4329 1 62 . 1 1 25 25 GLU C C 13 178.14 . . 1 . . . . . . . . 4329 1 63 . 1 1 25 25 GLU CA C 13 59.22 . . 1 . . . . . . . . 4329 1 64 . 1 1 25 25 GLU N N 15 116.14 . . 1 . . . . . . . . 4329 1 65 . 1 1 26 26 LEU H H 1 7.64 . . 1 . . . . . . . . 4329 1 66 . 1 1 26 26 LEU HA H 1 3.96 . . 1 . . . . . . . . 4329 1 67 . 1 1 26 26 LEU C C 13 181.68 . . 1 . . . . . . . . 4329 1 68 . 1 1 26 26 LEU CA C 13 57.91 . . 1 . . . . . . . . 4329 1 69 . 1 1 26 26 LEU N N 15 119.00 . . 1 . . . . . . . . 4329 1 70 . 1 1 27 27 LEU H H 1 8.47 . . 1 . . . . . . . . 4329 1 71 . 1 1 27 27 LEU HA H 1 3.74 . . 1 . . . . . . . . 4329 1 72 . 1 1 27 27 LEU C C 13 177.87 . . 1 . . . . . . . . 4329 1 73 . 1 1 27 27 LEU CA C 13 58.13 . . 1 . . . . . . . . 4329 1 74 . 1 1 27 27 LEU N N 15 120.23 . . 1 . . . . . . . . 4329 1 75 . 1 1 28 28 LYS H H 1 8.00 . . 1 . . . . . . . . 4329 1 76 . 1 1 28 28 LYS HA H 1 3.62 . . 1 . . . . . . . . 4329 1 77 . 1 1 28 28 LYS C C 13 176.90 . . 1 . . . . . . . . 4329 1 78 . 1 1 28 28 LYS CA C 13 59.74 . . 1 . . . . . . . . 4329 1 79 . 1 1 28 28 LYS N N 15 115.18 . . 1 . . . . . . . . 4329 1 80 . 1 1 29 29 ASN H H 1 7.16 . . 1 . . . . . . . . 4329 1 81 . 1 1 29 29 ASN HA H 1 4.75 . . 1 . . . . . . . . 4329 1 82 . 1 1 29 29 ASN C C 13 174.63 . . 1 . . . . . . . . 4329 1 83 . 1 1 29 29 ASN CA C 13 51.90 . . 1 . . . . . . . . 4329 1 84 . 1 1 29 29 ASN N N 15 114.43 . . 1 . . . . . . . . 4329 1 85 . 1 1 30 30 SER H H 1 7.46 . . 1 . . . . . . . . 4329 1 86 . 1 1 30 30 SER HA H 1 4.46 . . 1 . . . . . . . . 4329 1 87 . 1 1 30 30 SER C C 13 171.74 . . 1 . . . . . . . . 4329 1 88 . 1 1 30 30 SER CA C 13 59.51 . . 1 . . . . . . . . 4329 1 89 . 1 1 30 30 SER N N 15 116.13 . . 1 . . . . . . . . 4329 1 90 . 1 1 31 31 HIS H H 1 9.91 . . 1 . . . . . . . . 4329 1 91 . 1 1 31 31 HIS HA H 1 4.84 . . 1 . . . . . . . . 4329 1 92 . 1 1 31 31 HIS C C 13 175.43 . . 1 . . . . . . . . 4329 1 93 . 1 1 31 31 HIS CA C 13 57.14 . . 1 . . . . . . . . 4329 1 94 . 1 1 31 31 HIS N N 15 119.45 . . 1 . . . . . . . . 4329 1 95 . 1 1 32 32 SER H H 1 8.27 . . 1 . . . . . . . . 4329 1 96 . 1 1 32 32 SER HA H 1 5.07 . . 1 . . . . . . . . 4329 1 97 . 1 1 32 32 SER C C 13 172.74 . . 1 . . . . . . . . 4329 1 98 . 1 1 32 32 SER CA C 13 56.39 . . 1 . . . . . . . . 4329 1 99 . 1 1 32 32 SER N N 15 113.92 . . 1 . . . . . . . . 4329 1 100 . 1 1 33 33 VAL H H 1 8.82 . . 1 . . . . . . . . 4329 1 101 . 1 1 33 33 VAL HA H 1 5.45 . . 1 . . . . . . . . 4329 1 102 . 1 1 33 33 VAL C C 13 175.93 . . 1 . . . . . . . . 4329 1 103 . 1 1 33 33 VAL CA C 13 59.20 . . 1 . . . . . . . . 4329 1 104 . 1 1 33 33 VAL N N 15 122.80 . . 1 . . . . . . . . 4329 1 105 . 1 1 34 34 ILE H H 1 8.35 . . 1 . . . . . . . . 4329 1 106 . 1 1 34 34 ILE HA H 1 5.09 . . 1 . . . . . . . . 4329 1 107 . 1 1 34 34 ILE C C 13 174.05 . . 1 . . . . . . . . 4329 1 108 . 1 1 34 34 ILE CA C 13 59.13 . . 1 . . . . . . . . 4329 1 109 . 1 1 34 34 ILE N N 15 125.44 . . 1 . . . . . . . . 4329 1 110 . 1 1 35 35 ILE H H 1 8.80 . . 1 . . . . . . . . 4329 1 111 . 1 1 35 35 ILE HA H 1 4.71 . . 1 . . . . . . . . 4329 1 112 . 1 1 35 35 ILE C C 13 175.58 . . 1 . . . . . . . . 4329 1 113 . 1 1 35 35 ILE CA C 13 59.73 . . 1 . . . . . . . . 4329 1 114 . 1 1 35 35 ILE N N 15 126.89 . . 1 . . . . . . . . 4329 1 115 . 1 1 36 36 THR H H 1 9.12 . . 1 . . . . . . . . 4329 1 116 . 1 1 36 36 THR HA H 1 5.51 . . 1 . . . . . . . . 4329 1 117 . 1 1 36 36 THR C C 13 174.70 . . 1 . . . . . . . . 4329 1 118 . 1 1 36 36 THR CA C 13 54.12 . . 1 . . . . . . . . 4329 1 119 . 1 1 36 36 THR N N 15 118.65 . . 1 . . . . . . . . 4329 1 120 . 1 1 37 37 PRO HA H 1 4.87 . . 1 . . . . . . . . 4329 1 121 . 1 1 37 37 PRO C C 13 174.12 . . 1 . . . . . . . . 4329 1 122 . 1 1 37 37 PRO CA C 13 60.83 . . 1 . . . . . . . . 4329 1 123 . 1 1 38 38 GLY H H 1 7.55 . . 1 . . . . . . . . 4329 1 124 . 1 1 38 38 GLY HA2 H 1 3.77 . . 2 . . . . . . . . 4329 1 125 . 1 1 38 38 GLY HA3 H 1 4.74 . . 2 . . . . . . . . 4329 1 126 . 1 1 38 38 GLY C C 13 174.76 . . 1 . . . . . . . . 4329 1 127 . 1 1 38 38 GLY CA C 13 44.65 . . 1 . . . . . . . . 4329 1 128 . 1 1 38 38 GLY N N 15 105.18 . . 1 . . . . . . . . 4329 1 129 . 1 1 39 39 TYR H H 1 9.35 . . 1 . . . . . . . . 4329 1 130 . 1 1 39 39 TYR HA H 1 4.85 . . 1 . . . . . . . . 4329 1 131 . 1 1 39 39 TYR C C 13 176.02 . . 1 . . . . . . . . 4329 1 132 . 1 1 39 39 TYR CA C 13 60.78 . . 1 . . . . . . . . 4329 1 133 . 1 1 39 39 TYR N N 15 119.56 . . 1 . . . . . . . . 4329 1 134 . 1 1 40 40 GLY H H 1 9.75 . . 1 . . . . . . . . 4329 1 135 . 1 1 40 40 GLY HA2 H 1 2.02 . . 2 . . . . . . . . 4329 1 136 . 1 1 40 40 GLY HA3 H 1 2.33 . . 2 . . . . . . . . 4329 1 137 . 1 1 40 40 GLY C C 13 174.04 . . 1 . . . . . . . . 4329 1 138 . 1 1 40 40 GLY CA C 13 45.49 . . 1 . . . . . . . . 4329 1 139 . 1 1 40 40 GLY N N 15 103.81 . . 1 . . . . . . . . 4329 1 140 . 1 1 41 41 MET H H 1 7.89 . . 1 . . . . . . . . 4329 1 141 . 1 1 41 41 MET HA H 1 3.24 . . 1 . . . . . . . . 4329 1 142 . 1 1 41 41 MET C C 13 177.11 . . 1 . . . . . . . . 4329 1 143 . 1 1 41 41 MET CA C 13 59.68 . . 1 . . . . . . . . 4329 1 144 . 1 1 41 41 MET N N 15 116.66 . . 1 . . . . . . . . 4329 1 145 . 1 1 42 42 ALA H H 1 6.82 . . 1 . . . . . . . . 4329 1 146 . 1 1 42 42 ALA HA H 1 3.83 . . 1 . . . . . . . . 4329 1 147 . 1 1 42 42 ALA C C 13 180.34 . . 1 . . . . . . . . 4329 1 148 . 1 1 42 42 ALA CA C 13 54.19 . . 1 . . . . . . . . 4329 1 149 . 1 1 42 42 ALA N N 15 118.05 . . 1 . . . . . . . . 4329 1 150 . 1 1 43 43 VAL H H 1 7.41 . . 1 . . . . . . . . 4329 1 151 . 1 1 43 43 VAL HA H 1 3.46 . . 1 . . . . . . . . 4329 1 152 . 1 1 43 43 VAL C C 13 177.66 . . 1 . . . . . . . . 4329 1 153 . 1 1 43 43 VAL CA C 13 65.51 . . 1 . . . . . . . . 4329 1 154 . 1 1 43 43 VAL N N 15 118.30 . . 1 . . . . . . . . 4329 1 155 . 1 1 44 44 ALA H H 1 7.14 . . 1 . . . . . . . . 4329 1 156 . 1 1 44 44 ALA HA H 1 4.45 . . 1 . . . . . . . . 4329 1 157 . 1 1 44 44 ALA C C 13 176.37 . . 1 . . . . . . . . 4329 1 158 . 1 1 44 44 ALA CA C 13 51.90 . . 1 . . . . . . . . 4329 1 159 . 1 1 44 44 ALA N N 15 117.46 . . 1 . . . . . . . . 4329 1 160 . 1 1 45 45 GLN H H 1 7.66 . . 1 . . . . . . . . 4329 1 161 . 1 1 45 45 GLN HA H 1 4.25 . . 1 . . . . . . . . 4329 1 162 . 1 1 45 45 GLN C C 13 176.79 . . 1 . . . . . . . . 4329 1 163 . 1 1 45 45 GLN CA C 13 56.48 . . 1 . . . . . . . . 4329 1 164 . 1 1 45 45 GLN N N 15 113.26 . . 1 . . . . . . . . 4329 1 165 . 1 1 46 46 ALA H H 1 7.84 . . 1 . . . . . . . . 4329 1 166 . 1 1 46 46 ALA HA H 1 4.11 . . 1 . . . . . . . . 4329 1 167 . 1 1 46 46 ALA C C 13 175.61 . . 1 . . . . . . . . 4329 1 168 . 1 1 46 46 ALA CA C 13 51.46 . . 1 . . . . . . . . 4329 1 169 . 1 1 46 46 ALA N N 15 114.83 . . 1 . . . . . . . . 4329 1 170 . 1 1 47 47 GLN H H 1 10.44 . . 1 . . . . . . . . 4329 1 171 . 1 1 47 47 GLN HA H 1 3.81 . . 1 . . . . . . . . 4329 1 172 . 1 1 47 47 GLN C C 13 174.91 . . 1 . . . . . . . . 4329 1 173 . 1 1 47 47 GLN CA C 13 59.49 . . 1 . . . . . . . . 4329 1 174 . 1 1 47 47 GLN N N 15 121.35 . . 1 . . . . . . . . 4329 1 175 . 1 1 48 48 TYR H H 1 6.83 . . 1 . . . . . . . . 4329 1 176 . 1 1 48 48 TYR HA H 1 4.42 . . 1 . . . . . . . . 4329 1 177 . 1 1 48 48 TYR CA C 13 63.29 . . 1 . . . . . . . . 4329 1 178 . 1 1 48 48 TYR N N 15 117.14 . . 1 . . . . . . . . 4329 1 179 . 1 1 49 49 PRO HA H 1 4.61 . . 1 . . . . . . . . 4329 1 180 . 1 1 49 49 PRO C C 13 178.54 . . 1 . . . . . . . . 4329 1 181 . 1 1 49 49 PRO CA C 13 65.39 . . 1 . . . . . . . . 4329 1 182 . 1 1 50 50 VAL H H 1 7.79 . . 1 . . . . . . . . 4329 1 183 . 1 1 50 50 VAL HA H 1 3.51 . . 1 . . . . . . . . 4329 1 184 . 1 1 50 50 VAL C C 13 177.99 . . 1 . . . . . . . . 4329 1 185 . 1 1 50 50 VAL CA C 13 66.59 . . 1 . . . . . . . . 4329 1 186 . 1 1 50 50 VAL N N 15 118.33 . . 1 . . . . . . . . 4329 1 187 . 1 1 51 51 ALA H H 1 8.25 . . 1 . . . . . . . . 4329 1 188 . 1 1 51 51 ALA HA H 1 3.91 . . 1 . . . . . . . . 4329 1 189 . 1 1 51 51 ALA C C 13 179.74 . . 1 . . . . . . . . 4329 1 190 . 1 1 51 51 ALA CA C 13 55.87 . . 1 . . . . . . . . 4329 1 191 . 1 1 51 51 ALA N N 15 126.87 . . 1 . . . . . . . . 4329 1 192 . 1 1 52 52 GLU H H 1 7.72 . . 1 . . . . . . . . 4329 1 193 . 1 1 52 52 GLU HA H 1 4.14 . . 1 . . . . . . . . 4329 1 194 . 1 1 52 52 GLU C C 13 179.27 . . 1 . . . . . . . . 4329 1 195 . 1 1 52 52 GLU CA C 13 59.81 . . 1 . . . . . . . . 4329 1 196 . 1 1 52 52 GLU N N 15 119.23 . . 1 . . . . . . . . 4329 1 197 . 1 1 53 53 ILE H H 1 8.84 . . 1 . . . . . . . . 4329 1 198 . 1 1 53 53 ILE HA H 1 3.66 . . 1 . . . . . . . . 4329 1 199 . 1 1 53 53 ILE C C 13 176.51 . . 1 . . . . . . . . 4329 1 200 . 1 1 53 53 ILE CA C 13 65.50 . . 1 . . . . . . . . 4329 1 201 . 1 1 53 53 ILE N N 15 118.56 . . 1 . . . . . . . . 4329 1 202 . 1 1 54 54 THR H H 1 7.71 . . 1 . . . . . . . . 4329 1 203 . 1 1 54 54 THR HA H 1 4.10 . . 1 . . . . . . . . 4329 1 204 . 1 1 54 54 THR C C 13 175.22 . . 1 . . . . . . . . 4329 1 205 . 1 1 54 54 THR CA C 13 67.82 . . 1 . . . . . . . . 4329 1 206 . 1 1 54 54 THR N N 15 118.57 . . 1 . . . . . . . . 4329 1 207 . 1 1 55 55 GLU H H 1 7.74 . . 1 . . . . . . . . 4329 1 208 . 1 1 55 55 GLU HA H 1 4.04 . . 1 . . . . . . . . 4329 1 209 . 1 1 55 55 GLU C C 13 179.40 . . 1 . . . . . . . . 4329 1 210 . 1 1 55 55 GLU CA C 13 59.65 . . 1 . . . . . . . . 4329 1 211 . 1 1 55 55 GLU N N 15 120.73 . . 1 . . . . . . . . 4329 1 212 . 1 1 56 56 LYS H H 1 8.14 . . 1 . . . . . . . . 4329 1 213 . 1 1 56 56 LYS HA H 1 4.01 . . 1 . . . . . . . . 4329 1 214 . 1 1 56 56 LYS C C 13 179.73 . . 1 . . . . . . . . 4329 1 215 . 1 1 56 56 LYS CA C 13 59.53 . . 1 . . . . . . . . 4329 1 216 . 1 1 56 56 LYS N N 15 118.54 . . 1 . . . . . . . . 4329 1 217 . 1 1 57 57 LEU H H 1 8.40 . . 1 . . . . . . . . 4329 1 218 . 1 1 57 57 LEU HA H 1 3.98 . . 1 . . . . . . . . 4329 1 219 . 1 1 57 57 LEU C C 13 179.56 . . 1 . . . . . . . . 4329 1 220 . 1 1 57 57 LEU CA C 13 57.55 . . 1 . . . . . . . . 4329 1 221 . 1 1 57 57 LEU N N 15 117.59 . . 1 . . . . . . . . 4329 1 222 . 1 1 58 58 ARG H H 1 8.66 . . 1 . . . . . . . . 4329 1 223 . 1 1 58 58 ARG HA H 1 4.56 . . 1 . . . . . . . . 4329 1 224 . 1 1 58 58 ARG C C 13 181.12 . . 1 . . . . . . . . 4329 1 225 . 1 1 58 58 ARG CA C 13 59.85 . . 1 . . . . . . . . 4329 1 226 . 1 1 58 58 ARG N N 15 120.42 . . 1 . . . . . . . . 4329 1 227 . 1 1 59 59 ALA H H 1 8.05 . . 1 . . . . . . . . 4329 1 228 . 1 1 59 59 ALA HA H 1 4.23 . . 1 . . . . . . . . 4329 1 229 . 1 1 59 59 ALA C C 13 178.76 . . 1 . . . . . . . . 4329 1 230 . 1 1 59 59 ALA CA C 13 54.41 . . 1 . . . . . . . . 4329 1 231 . 1 1 59 59 ALA N N 15 121.97 . . 1 . . . . . . . . 4329 1 232 . 1 1 60 60 ARG H H 1 7.33 . . 1 . . . . . . . . 4329 1 233 . 1 1 60 60 ARG HA H 1 4.44 . . 1 . . . . . . . . 4329 1 234 . 1 1 60 60 ARG C C 13 176.25 . . 1 . . . . . . . . 4329 1 235 . 1 1 60 60 ARG CA C 13 55.79 . . 1 . . . . . . . . 4329 1 236 . 1 1 60 60 ARG N N 15 115.19 . . 1 . . . . . . . . 4329 1 237 . 1 1 61 61 GLY H H 1 8.04 . . 1 . . . . . . . . 4329 1 238 . 1 1 61 61 GLY HA2 H 1 3.72 . . 2 . . . . . . . . 4329 1 239 . 1 1 61 61 GLY HA3 H 1 4.19 . . 2 . . . . . . . . 4329 1 240 . 1 1 61 61 GLY C C 13 173.63 . . 1 . . . . . . . . 4329 1 241 . 1 1 61 61 GLY CA C 13 45.32 . . 1 . . . . . . . . 4329 1 242 . 1 1 61 61 GLY N N 15 107.38 . . 1 . . . . . . . . 4329 1 243 . 1 1 62 62 ILE H H 1 7.33 . . 1 . . . . . . . . 4329 1 244 . 1 1 62 62 ILE HA H 1 3.71 . . 1 . . . . . . . . 4329 1 245 . 1 1 62 62 ILE C C 13 175.17 . . 1 . . . . . . . . 4329 1 246 . 1 1 62 62 ILE CA C 13 61.62 . . 1 . . . . . . . . 4329 1 247 . 1 1 62 62 ILE N N 15 122.49 . . 1 . . . . . . . . 4329 1 248 . 1 1 63 63 ASN H H 1 7.82 . . 1 . . . . . . . . 4329 1 249 . 1 1 63 63 ASN HA H 1 4.61 . . 1 . . . . . . . . 4329 1 250 . 1 1 63 63 ASN C C 13 173.69 . . 1 . . . . . . . . 4329 1 251 . 1 1 63 63 ASN CA C 13 53.24 . . 1 . . . . . . . . 4329 1 252 . 1 1 63 63 ASN N N 15 125.34 . . 1 . . . . . . . . 4329 1 253 . 1 1 64 64 VAL H H 1 7.50 . . 1 . . . . . . . . 4329 1 254 . 1 1 64 64 VAL HA H 1 4.98 . . 1 . . . . . . . . 4329 1 255 . 1 1 64 64 VAL C C 13 174.29 . . 1 . . . . . . . . 4329 1 256 . 1 1 64 64 VAL CA C 13 60.79 . . 1 . . . . . . . . 4329 1 257 . 1 1 64 64 VAL N N 15 127.08 . . 1 . . . . . . . . 4329 1 258 . 1 1 65 65 ARG H H 1 7.98 . . 1 . . . . . . . . 4329 1 259 . 1 1 65 65 ARG HA H 1 5.00 . . 1 . . . . . . . . 4329 1 260 . 1 1 65 65 ARG C C 13 173.60 . . 1 . . . . . . . . 4329 1 261 . 1 1 65 65 ARG CA C 13 54.02 . . 1 . . . . . . . . 4329 1 262 . 1 1 65 65 ARG N N 15 122.43 . . 1 . . . . . . . . 4329 1 263 . 1 1 66 66 PHE H H 1 9.31 . . 1 . . . . . . . . 4329 1 264 . 1 1 66 66 PHE HA H 1 5.43 . . 1 . . . . . . . . 4329 1 265 . 1 1 66 66 PHE C C 13 174.27 . . 1 . . . . . . . . 4329 1 266 . 1 1 66 66 PHE CA C 13 55.98 . . 1 . . . . . . . . 4329 1 267 . 1 1 66 66 PHE N N 15 117.80 . . 1 . . . . . . . . 4329 1 268 . 1 1 67 67 GLY H H 1 8.30 . . 1 . . . . . . . . 4329 1 269 . 1 1 67 67 GLY HA2 H 1 2.80 . . 2 . . . . . . . . 4329 1 270 . 1 1 67 67 GLY HA3 H 1 4.82 . . 2 . . . . . . . . 4329 1 271 . 1 1 67 67 GLY C C 13 171.50 . . 1 . . . . . . . . 4329 1 272 . 1 1 67 67 GLY CA C 13 45.59 . . 1 . . . . . . . . 4329 1 273 . 1 1 67 67 GLY N N 15 105.93 . . 1 . . . . . . . . 4329 1 274 . 1 1 68 68 ILE H H 1 8.81 . . 1 . . . . . . . . 4329 1 275 . 1 1 68 68 ILE HA H 1 4.50 . . 1 . . . . . . . . 4329 1 276 . 1 1 68 68 ILE C C 13 175.64 . . 1 . . . . . . . . 4329 1 277 . 1 1 68 68 ILE CA C 13 57.37 . . 1 . . . . . . . . 4329 1 278 . 1 1 68 68 ILE N N 15 123.08 . . 1 . . . . . . . . 4329 1 279 . 1 1 69 69 HIS H H 1 9.27 . . 1 . . . . . . . . 4329 1 280 . 1 1 69 69 HIS HA H 1 4.70 . . 1 . . . . . . . . 4329 1 281 . 1 1 69 69 HIS CA C 13 54.86 . . 1 . . . . . . . . 4329 1 282 . 1 1 69 69 HIS N N 15 132.24 . . 1 . . . . . . . . 4329 1 283 . 1 1 70 70 PRO HA H 1 4.55 . . 1 . . . . . . . . 4329 1 284 . 1 1 70 70 PRO C C 13 178.72 . . 1 . . . . . . . . 4329 1 285 . 1 1 70 70 PRO CA C 13 65.11 . . 1 . . . . . . . . 4329 1 286 . 1 1 71 71 VAL H H 1 10.63 . . 1 . . . . . . . . 4329 1 287 . 1 1 71 71 VAL HA H 1 4.75 . . 1 . . . . . . . . 4329 1 288 . 1 1 71 71 VAL C C 13 177.04 . . 1 . . . . . . . . 4329 1 289 . 1 1 71 71 VAL CA C 13 60.00 . . 1 . . . . . . . . 4329 1 290 . 1 1 71 71 VAL N N 15 113.18 . . 1 . . . . . . . . 4329 1 291 . 1 1 72 72 ALA H H 1 8.01 . . 1 . . . . . . . . 4329 1 292 . 1 1 72 72 ALA HA H 1 4.56 . . 1 . . . . . . . . 4329 1 293 . 1 1 72 72 ALA C C 13 180.13 . . 1 . . . . . . . . 4329 1 294 . 1 1 72 72 ALA CA C 13 53.72 . . 1 . . . . . . . . 4329 1 295 . 1 1 72 72 ALA N N 15 123.70 . . 1 . . . . . . . . 4329 1 296 . 1 1 73 73 GLY H H 1 9.86 . . 1 . . . . . . . . 4329 1 297 . 1 1 73 73 GLY HA2 H 1 3.32 . . 2 . . . . . . . . 4329 1 298 . 1 1 73 73 GLY HA3 H 1 4.69 . . 2 . . . . . . . . 4329 1 299 . 1 1 73 73 GLY CA C 13 45.12 . . 1 . . . . . . . . 4329 1 300 . 1 1 73 73 GLY N N 15 107.17 . . 1 . . . . . . . . 4329 1 301 . 1 1 74 74 ARG H H 1 10.93 . . 1 . . . . . . . . 4329 1 302 . 1 1 74 74 ARG C C 13 173.71 . . 1 . . . . . . . . 4329 1 303 . 1 1 74 74 ARG CA C 13 54.10 . . 1 . . . . . . . . 4329 1 304 . 1 1 74 74 ARG N N 15 122.10 . . 1 . . . . . . . . 4329 1 305 . 1 1 75 75 LEU H H 1 7.38 . . 1 . . . . . . . . 4329 1 306 . 1 1 75 75 LEU HA H 1 4.73 . . 1 . . . . . . . . 4329 1 307 . 1 1 75 75 LEU CA C 13 52.88 . . 1 . . . . . . . . 4329 1 308 . 1 1 75 75 LEU N N 15 120.16 . . 1 . . . . . . . . 4329 1 309 . 1 1 76 76 PRO HA H 1 4.59 . . 1 . . . . . . . . 4329 1 310 . 1 1 76 76 PRO C C 13 178.41 . . 1 . . . . . . . . 4329 1 311 . 1 1 76 76 PRO CA C 13 63.82 . . 1 . . . . . . . . 4329 1 312 . 1 1 77 77 GLY H H 1 9.24 . . 1 . . . . . . . . 4329 1 313 . 1 1 77 77 GLY HA2 H 1 3.40 . . 2 . . . . . . . . 4329 1 314 . 1 1 77 77 GLY HA3 H 1 3.98 . . 2 . . . . . . . . 4329 1 315 . 1 1 77 77 GLY C C 13 175.15 . . 1 . . . . . . . . 4329 1 316 . 1 1 77 77 GLY CA C 13 46.81 . . 1 . . . . . . . . 4329 1 317 . 1 1 77 77 GLY N N 15 114.39 . . 1 . . . . . . . . 4329 1 318 . 1 1 78 78 HIS H H 1 7.79 . . 1 . . . . . . . . 4329 1 319 . 1 1 78 78 HIS HA H 1 4.12 . . 1 . . . . . . . . 4329 1 320 . 1 1 78 78 HIS C C 13 178.19 . . 1 . . . . . . . . 4329 1 321 . 1 1 78 78 HIS CA C 13 57.90 . . 1 . . . . . . . . 4329 1 322 . 1 1 78 78 HIS N N 15 119.78 . . 1 . . . . . . . . 4329 1 323 . 1 1 79 79 MET H H 1 9.14 . . 1 . . . . . . . . 4329 1 324 . 1 1 79 79 MET HA H 1 4.07 . . 1 . . . . . . . . 4329 1 325 . 1 1 79 79 MET C C 13 177.64 . . 1 . . . . . . . . 4329 1 326 . 1 1 79 79 MET CA C 13 56.62 . . 1 . . . . . . . . 4329 1 327 . 1 1 79 79 MET N N 15 111.03 . . 1 . . . . . . . . 4329 1 328 . 1 1 80 80 ASN H H 1 7.72 . . 1 . . . . . . . . 4329 1 329 . 1 1 80 80 ASN HA H 1 3.89 . . 1 . . . . . . . . 4329 1 330 . 1 1 80 80 ASN C C 13 178.18 . . 1 . . . . . . . . 4329 1 331 . 1 1 80 80 ASN CA C 13 57.23 . . 1 . . . . . . . . 4329 1 332 . 1 1 80 80 ASN N N 15 114.50 . . 1 . . . . . . . . 4329 1 333 . 1 1 81 81 VAL H H 1 7.78 . . 1 . . . . . . . . 4329 1 334 . 1 1 81 81 VAL HA H 1 3.68 . . 1 . . . . . . . . 4329 1 335 . 1 1 81 81 VAL C C 13 178.35 . . 1 . . . . . . . . 4329 1 336 . 1 1 81 81 VAL CA C 13 65.94 . . 1 . . . . . . . . 4329 1 337 . 1 1 81 81 VAL N N 15 118.06 . . 1 . . . . . . . . 4329 1 338 . 1 1 82 82 LEU H H 1 7.50 . . 1 . . . . . . . . 4329 1 339 . 1 1 82 82 LEU HA H 1 3.95 . . 1 . . . . . . . . 4329 1 340 . 1 1 82 82 LEU C C 13 178.98 . . 1 . . . . . . . . 4329 1 341 . 1 1 82 82 LEU CA C 13 57.43 . . 1 . . . . . . . . 4329 1 342 . 1 1 82 82 LEU N N 15 118.49 . . 1 . . . . . . . . 4329 1 343 . 1 1 83 83 LEU H H 1 7.82 . . 1 . . . . . . . . 4329 1 344 . 1 1 83 83 LEU HA H 1 3.56 . . 1 . . . . . . . . 4329 1 345 . 1 1 83 83 LEU C C 13 177.90 . . 1 . . . . . . . . 4329 1 346 . 1 1 83 83 LEU CA C 13 57.28 . . 1 . . . . . . . . 4329 1 347 . 1 1 83 83 LEU N N 15 115.92 . . 1 . . . . . . . . 4329 1 348 . 1 1 84 84 ALA H H 1 7.66 . . 1 . . . . . . . . 4329 1 349 . 1 1 84 84 ALA HA H 1 4.05 . . 1 . . . . . . . . 4329 1 350 . 1 1 84 84 ALA C C 13 182.71 . . 1 . . . . . . . . 4329 1 351 . 1 1 84 84 ALA CA C 13 54.95 . . 1 . . . . . . . . 4329 1 352 . 1 1 84 84 ALA N N 15 121.02 . . 1 . . . . . . . . 4329 1 353 . 1 1 85 85 GLU H H 1 8.09 . . 1 . . . . . . . . 4329 1 354 . 1 1 85 85 GLU HA H 1 3.96 . . 1 . . . . . . . . 4329 1 355 . 1 1 85 85 GLU C C 13 177.13 . . 1 . . . . . . . . 4329 1 356 . 1 1 85 85 GLU CA C 13 59.22 . . 1 . . . . . . . . 4329 1 357 . 1 1 85 85 GLU N N 15 121.58 . . 1 . . . . . . . . 4329 1 358 . 1 1 86 86 ALA H H 1 6.96 . . 1 . . . . . . . . 4329 1 359 . 1 1 86 86 ALA HA H 1 4.16 . . 1 . . . . . . . . 4329 1 360 . 1 1 86 86 ALA C C 13 174.35 . . 1 . . . . . . . . 4329 1 361 . 1 1 86 86 ALA CA C 13 51.31 . . 1 . . . . . . . . 4329 1 362 . 1 1 86 86 ALA N N 15 117.85 . . 1 . . . . . . . . 4329 1 363 . 1 1 87 87 LYS H H 1 7.61 . . 1 . . . . . . . . 4329 1 364 . 1 1 87 87 LYS HA H 1 3.66 . . 1 . . . . . . . . 4329 1 365 . 1 1 87 87 LYS C C 13 176.43 . . 1 . . . . . . . . 4329 1 366 . 1 1 87 87 LYS CA C 13 56.71 . . 1 . . . . . . . . 4329 1 367 . 1 1 87 87 LYS N N 15 110.69 . . 1 . . . . . . . . 4329 1 368 . 1 1 88 88 VAL H H 1 7.73 . . 1 . . . . . . . . 4329 1 369 . 1 1 88 88 VAL HA H 1 3.92 . . 1 . . . . . . . . 4329 1 370 . 1 1 88 88 VAL C C 13 177.56 . . 1 . . . . . . . . 4329 1 371 . 1 1 88 88 VAL CA C 13 61.24 . . 1 . . . . . . . . 4329 1 372 . 1 1 88 88 VAL N N 15 122.22 . . 1 . . . . . . . . 4329 1 373 . 1 1 89 89 PRO HA H 1 4.21 . . 1 . . . . . . . . 4329 1 374 . 1 1 89 89 PRO C C 13 176.96 . . 1 . . . . . . . . 4329 1 375 . 1 1 89 89 PRO CA C 13 63.29 . . 1 . . . . . . . . 4329 1 376 . 1 1 90 90 TYR H H 1 8.04 . . 1 . . . . . . . . 4329 1 377 . 1 1 90 90 TYR HA H 1 4.48 . . 1 . . . . . . . . 4329 1 378 . 1 1 90 90 TYR C C 13 177.70 . . 1 . . . . . . . . 4329 1 379 . 1 1 90 90 TYR CA C 13 61.15 . . 1 . . . . . . . . 4329 1 380 . 1 1 90 90 TYR N N 15 119.99 . . 1 . . . . . . . . 4329 1 381 . 1 1 91 91 ASP H H 1 8.29 . . 1 . . . . . . . . 4329 1 382 . 1 1 91 91 ASP HA H 1 4.22 . . 1 . . . . . . . . 4329 1 383 . 1 1 91 91 ASP C C 13 176.93 . . 1 . . . . . . . . 4329 1 384 . 1 1 91 91 ASP CA C 13 55.15 . . 1 . . . . . . . . 4329 1 385 . 1 1 91 91 ASP N N 15 113.37 . . 1 . . . . . . . . 4329 1 386 . 1 1 92 92 ILE H H 1 7.06 . . 1 . . . . . . . . 4329 1 387 . 1 1 92 92 ILE HA H 1 4.60 . . 1 . . . . . . . . 4329 1 388 . 1 1 92 92 ILE C C 13 173.12 . . 1 . . . . . . . . 4329 1 389 . 1 1 92 92 ILE CA C 13 60.62 . . 1 . . . . . . . . 4329 1 390 . 1 1 92 92 ILE N N 15 109.13 . . 1 . . . . . . . . 4329 1 391 . 1 1 93 93 VAL H H 1 7.41 . . 1 . . . . . . . . 4329 1 392 . 1 1 93 93 VAL HA H 1 4.09 . . 1 . . . . . . . . 4329 1 393 . 1 1 93 93 VAL C C 13 173.22 . . 1 . . . . . . . . 4329 1 394 . 1 1 93 93 VAL CA C 13 63.18 . . 1 . . . . . . . . 4329 1 395 . 1 1 93 93 VAL N N 15 123.44 . . 1 . . . . . . . . 4329 1 396 . 1 1 94 94 LEU H H 1 8.53 . . 1 . . . . . . . . 4329 1 397 . 1 1 94 94 LEU HA H 1 4.72 . . 1 . . . . . . . . 4329 1 398 . 1 1 94 94 LEU C C 13 175.53 . . 1 . . . . . . . . 4329 1 399 . 1 1 94 94 LEU CA C 13 54.45 . . 1 . . . . . . . . 4329 1 400 . 1 1 94 94 LEU N N 15 129.25 . . 1 . . . . . . . . 4329 1 401 . 1 1 95 95 GLU H H 1 8.80 . . 1 . . . . . . . . 4329 1 402 . 1 1 95 95 GLU HA H 1 4.43 . . 1 . . . . . . . . 4329 1 403 . 1 1 95 95 GLU C C 13 178.16 . . 1 . . . . . . . . 4329 1 404 . 1 1 95 95 GLU CA C 13 55.42 . . 1 . . . . . . . . 4329 1 405 . 1 1 95 95 GLU N N 15 118.81 . . 1 . . . . . . . . 4329 1 406 . 1 1 96 96 MET H H 1 7.89 . . 1 . . . . . . . . 4329 1 407 . 1 1 96 96 MET HA H 1 4.18 . . 1 . . . . . . . . 4329 1 408 . 1 1 96 96 MET C C 13 175.92 . . 1 . . . . . . . . 4329 1 409 . 1 1 96 96 MET CA C 13 59.76 . . 1 . . . . . . . . 4329 1 410 . 1 1 96 96 MET N N 15 120.29 . . 1 . . . . . . . . 4329 1 411 . 1 1 97 97 ASP H H 1 8.87 . . 1 . . . . . . . . 4329 1 412 . 1 1 97 97 ASP HA H 1 3.90 . . 1 . . . . . . . . 4329 1 413 . 1 1 97 97 ASP C C 13 177.35 . . 1 . . . . . . . . 4329 1 414 . 1 1 97 97 ASP CA C 13 57.34 . . 1 . . . . . . . . 4329 1 415 . 1 1 97 97 ASP N N 15 115.59 . . 1 . . . . . . . . 4329 1 416 . 1 1 98 98 GLU H H 1 7.64 . . 1 . . . . . . . . 4329 1 417 . 1 1 98 98 GLU HA H 1 4.25 . . 1 . . . . . . . . 4329 1 418 . 1 1 98 98 GLU C C 13 176.57 . . 1 . . . . . . . . 4329 1 419 . 1 1 98 98 GLU CA C 13 56.98 . . 1 . . . . . . . . 4329 1 420 . 1 1 98 98 GLU N N 15 115.95 . . 1 . . . . . . . . 4329 1 421 . 1 1 99 99 ILE H H 1 7.44 . . 1 . . . . . . . . 4329 1 422 . 1 1 99 99 ILE HA H 1 4.16 . . 1 . . . . . . . . 4329 1 423 . 1 1 99 99 ILE C C 13 175.49 . . 1 . . . . . . . . 4329 1 424 . 1 1 99 99 ILE CA C 13 60.59 . . 1 . . . . . . . . 4329 1 425 . 1 1 99 99 ILE N N 15 117.47 . . 1 . . . . . . . . 4329 1 426 . 1 1 100 100 ASN H H 1 7.81 . . 1 . . . . . . . . 4329 1 427 . 1 1 100 100 ASN HA H 1 4.76 . . 1 . . . . . . . . 4329 1 428 . 1 1 100 100 ASN C C 13 178.10 . . 1 . . . . . . . . 4329 1 429 . 1 1 100 100 ASN CA C 13 54.73 . . 1 . . . . . . . . 4329 1 430 . 1 1 100 100 ASN N N 15 121.57 . . 1 . . . . . . . . 4329 1 431 . 1 1 101 101 ASP H H 1 8.35 . . 1 . . . . . . . . 4329 1 432 . 1 1 101 101 ASP HA H 1 4.43 . . 1 . . . . . . . . 4329 1 433 . 1 1 101 101 ASP C C 13 177.00 . . 1 . . . . . . . . 4329 1 434 . 1 1 101 101 ASP CA C 13 56.27 . . 1 . . . . . . . . 4329 1 435 . 1 1 101 101 ASP N N 15 115.86 . . 1 . . . . . . . . 4329 1 436 . 1 1 102 102 ASP H H 1 7.94 . . 1 . . . . . . . . 4329 1 437 . 1 1 102 102 ASP HA H 1 4.49 . . 1 . . . . . . . . 4329 1 438 . 1 1 102 102 ASP C C 13 179.87 . . 1 . . . . . . . . 4329 1 439 . 1 1 102 102 ASP CA C 13 54.87 . . 1 . . . . . . . . 4329 1 440 . 1 1 102 102 ASP N N 15 117.51 . . 1 . . . . . . . . 4329 1 441 . 1 1 103 103 PHE H H 1 7.22 . . 1 . . . . . . . . 4329 1 442 . 1 1 103 103 PHE HA H 1 3.77 . . 1 . . . . . . . . 4329 1 443 . 1 1 103 103 PHE C C 13 176.54 . . 1 . . . . . . . . 4329 1 444 . 1 1 103 103 PHE CA C 13 64.62 . . 1 . . . . . . . . 4329 1 445 . 1 1 103 103 PHE N N 15 121.20 . . 1 . . . . . . . . 4329 1 446 . 1 1 104 104 ALA H H 1 8.02 . . 1 . . . . . . . . 4329 1 447 . 1 1 104 104 ALA HA H 1 4.07 . . 1 . . . . . . . . 4329 1 448 . 1 1 104 104 ALA C C 13 177.24 . . 1 . . . . . . . . 4329 1 449 . 1 1 104 104 ALA CA C 13 53.81 . . 1 . . . . . . . . 4329 1 450 . 1 1 104 104 ALA N N 15 116.36 . . 1 . . . . . . . . 4329 1 451 . 1 1 105 105 ASP H H 1 7.18 . . 1 . . . . . . . . 4329 1 452 . 1 1 105 105 ASP HA H 1 4.91 . . 1 . . . . . . . . 4329 1 453 . 1 1 105 105 ASP C C 13 175.51 . . 1 . . . . . . . . 4329 1 454 . 1 1 105 105 ASP CA C 13 53.31 . . 1 . . . . . . . . 4329 1 455 . 1 1 105 105 ASP N N 15 115.72 . . 1 . . . . . . . . 4329 1 456 . 1 1 106 106 THR H H 1 7.57 . . 1 . . . . . . . . 4329 1 457 . 1 1 106 106 THR HA H 1 4.53 . . 1 . . . . . . . . 4329 1 458 . 1 1 106 106 THR C C 13 173.62 . . 1 . . . . . . . . 4329 1 459 . 1 1 106 106 THR CA C 13 62.75 . . 1 . . . . . . . . 4329 1 460 . 1 1 106 106 THR N N 15 117.33 . . 1 . . . . . . . . 4329 1 461 . 1 1 107 107 ASP H H 1 8.36 . . 1 . . . . . . . . 4329 1 462 . 1 1 107 107 ASP HA H 1 4.61 . . 1 . . . . . . . . 4329 1 463 . 1 1 107 107 ASP C C 13 176.01 . . 1 . . . . . . . . 4329 1 464 . 1 1 107 107 ASP CA C 13 58.15 . . 1 . . . . . . . . 4329 1 465 . 1 1 107 107 ASP N N 15 126.73 . . 1 . . . . . . . . 4329 1 466 . 1 1 108 108 THR H H 1 7.47 . . 1 . . . . . . . . 4329 1 467 . 1 1 108 108 THR HA H 1 5.40 . . 1 . . . . . . . . 4329 1 468 . 1 1 108 108 THR C C 13 172.38 . . 1 . . . . . . . . 4329 1 469 . 1 1 108 108 THR CA C 13 61.37 . . 1 . . . . . . . . 4329 1 470 . 1 1 108 108 THR N N 15 114.00 . . 1 . . . . . . . . 4329 1 471 . 1 1 109 109 VAL H H 1 9.00 . . 1 . . . . . . . . 4329 1 472 . 1 1 109 109 VAL HA H 1 5.48 . . 1 . . . . . . . . 4329 1 473 . 1 1 109 109 VAL C C 13 175.09 . . 1 . . . . . . . . 4329 1 474 . 1 1 109 109 VAL CA C 13 59.09 . . 1 . . . . . . . . 4329 1 475 . 1 1 109 109 VAL N N 15 125.80 . . 1 . . . . . . . . 4329 1 476 . 1 1 110 110 LEU H H 1 8.54 . . 1 . . . . . . . . 4329 1 477 . 1 1 110 110 LEU HA H 1 5.13 . . 1 . . . . . . . . 4329 1 478 . 1 1 110 110 LEU C C 13 174.17 . . 1 . . . . . . . . 4329 1 479 . 1 1 110 110 LEU CA C 13 52.20 . . 1 . . . . . . . . 4329 1 480 . 1 1 110 110 LEU N N 15 123.55 . . 1 . . . . . . . . 4329 1 481 . 1 1 111 111 VAL H H 1 9.82 . . 1 . . . . . . . . 4329 1 482 . 1 1 111 111 VAL HA H 1 4.38 . . 1 . . . . . . . . 4329 1 483 . 1 1 111 111 VAL C C 13 175.06 . . 1 . . . . . . . . 4329 1 484 . 1 1 111 111 VAL CA C 13 60.96 . . 1 . . . . . . . . 4329 1 485 . 1 1 111 111 VAL N N 15 127.35 . . 1 . . . . . . . . 4329 1 486 . 1 1 112 112 ILE H H 1 7.22 . . 1 . . . . . . . . 4329 1 487 . 1 1 112 112 ILE HA H 1 4.08 . . 1 . . . . . . . . 4329 1 488 . 1 1 112 112 ILE C C 13 174.32 . . 1 . . . . . . . . 4329 1 489 . 1 1 112 112 ILE CA C 13 60.43 . . 1 . . . . . . . . 4329 1 490 . 1 1 112 112 ILE N N 15 124.26 . . 1 . . . . . . . . 4329 1 491 . 1 1 113 113 GLY H H 1 8.32 . . 1 . . . . . . . . 4329 1 492 . 1 1 113 113 GLY HA2 H 1 4.10 . . 2 . . . . . . . . 4329 1 493 . 1 1 113 113 GLY HA3 H 1 3.43 . . 2 . . . . . . . . 4329 1 494 . 1 1 113 113 GLY C C 13 170.95 . . 1 . . . . . . . . 4329 1 495 . 1 1 113 113 GLY CA C 13 46.85 . . 1 . . . . . . . . 4329 1 496 . 1 1 113 113 GLY N N 15 111.70 . . 1 . . . . . . . . 4329 1 497 . 1 1 114 114 ALA H H 1 6.39 . . 1 . . . . . . . . 4329 1 498 . 1 1 114 114 ALA HA H 1 5.20 . . 1 . . . . . . . . 4329 1 499 . 1 1 114 114 ALA C C 13 175.87 . . 1 . . . . . . . . 4329 1 500 . 1 1 114 114 ALA CA C 13 49.75 . . 1 . . . . . . . . 4329 1 501 . 1 1 114 114 ALA N N 15 117.53 . . 1 . . . . . . . . 4329 1 502 . 1 1 115 115 ASN H H 1 9.69 . . 1 . . . . . . . . 4329 1 503 . 1 1 115 115 ASN HA H 1 4.39 . . 1 . . . . . . . . 4329 1 504 . 1 1 115 115 ASN C C 13 174.20 . . 1 . . . . . . . . 4329 1 505 . 1 1 115 115 ASN CA C 13 55.62 . . 1 . . . . . . . . 4329 1 506 . 1 1 115 115 ASN N N 15 116.34 . . 1 . . . . . . . . 4329 1 507 . 1 1 116 116 ASP H H 1 10.40 . . 1 . . . . . . . . 4329 1 508 . 1 1 116 116 ASP C C 13 176.79 . . 1 . . . . . . . . 4329 1 509 . 1 1 116 116 ASP CA C 13 58.35 . . 1 . . . . . . . . 4329 1 510 . 1 1 116 116 ASP N N 15 124.45 . . 1 . . . . . . . . 4329 1 511 . 1 1 117 117 THR H H 1 7.27 . . 1 . . . . . . . . 4329 1 512 . 1 1 117 117 THR HA H 1 3.56 . . 1 . . . . . . . . 4329 1 513 . 1 1 117 117 THR C C 13 173.94 . . 1 . . . . . . . . 4329 1 514 . 1 1 117 117 THR CA C 13 63.27 . . 1 . . . . . . . . 4329 1 515 . 1 1 117 117 THR N N 15 99.65 . . 1 . . . . . . . . 4329 1 516 . 1 1 118 118 VAL H H 1 7.38 . . 1 . . . . . . . . 4329 1 517 . 1 1 118 118 VAL HA H 1 5.05 . . 1 . . . . . . . . 4329 1 518 . 1 1 118 118 VAL C C 13 173.20 . . 1 . . . . . . . . 4329 1 519 . 1 1 118 118 VAL CA C 13 59.32 . . 1 . . . . . . . . 4329 1 520 . 1 1 118 118 VAL N N 15 111.41 . . 1 . . . . . . . . 4329 1 521 . 1 1 119 119 ASN H H 1 6.63 . . 1 . . . . . . . . 4329 1 522 . 1 1 119 119 ASN HA H 1 5.19 . . 1 . . . . . . . . 4329 1 523 . 1 1 119 119 ASN C C 13 174.53 . . 1 . . . . . . . . 4329 1 524 . 1 1 119 119 ASN CA C 13 50.45 . . 1 . . . . . . . . 4329 1 525 . 1 1 119 119 ASN N N 15 117.49 . . 1 . . . . . . . . 4329 1 526 . 1 1 120 120 PRO HA H 1 4.37 . . 1 . . . . . . . . 4329 1 527 . 1 1 120 120 PRO C C 13 178.11 . . 1 . . . . . . . . 4329 1 528 . 1 1 120 120 PRO CA C 13 64.97 . . 1 . . . . . . . . 4329 1 529 . 1 1 121 121 ALA H H 1 9.29 . . 1 . . . . . . . . 4329 1 530 . 1 1 121 121 ALA HA H 1 4.02 . . 1 . . . . . . . . 4329 1 531 . 1 1 121 121 ALA C C 13 176.42 . . 1 . . . . . . . . 4329 1 532 . 1 1 121 121 ALA CA C 13 54.55 . . 1 . . . . . . . . 4329 1 533 . 1 1 121 121 ALA N N 15 123.69 . . 1 . . . . . . . . 4329 1 534 . 1 1 122 122 ALA H H 1 7.51 . . 1 . . . . . . . . 4329 1 535 . 1 1 122 122 ALA HA H 1 4.24 . . 1 . . . . . . . . 4329 1 536 . 1 1 122 122 ALA C C 13 177.17 . . 1 . . . . . . . . 4329 1 537 . 1 1 122 122 ALA CA C 13 52.38 . . 1 . . . . . . . . 4329 1 538 . 1 1 122 122 ALA N N 15 115.95 . . 1 . . . . . . . . 4329 1 539 . 1 1 123 123 GLN H H 1 7.61 . . 1 . . . . . . . . 4329 1 540 . 1 1 123 123 GLN HA H 1 4.35 . . 1 . . . . . . . . 4329 1 541 . 1 1 123 123 GLN C C 13 177.10 . . 1 . . . . . . . . 4329 1 542 . 1 1 123 123 GLN CA C 13 56.28 . . 1 . . . . . . . . 4329 1 543 . 1 1 123 123 GLN N N 15 113.41 . . 1 . . . . . . . . 4329 1 544 . 1 1 124 124 ASP H H 1 7.95 . . 1 . . . . . . . . 4329 1 545 . 1 1 124 124 ASP HA H 1 4.53 . . 1 . . . . . . . . 4329 1 546 . 1 1 124 124 ASP C C 13 175.77 . . 1 . . . . . . . . 4329 1 547 . 1 1 124 124 ASP CA C 13 55.22 . . 1 . . . . . . . . 4329 1 548 . 1 1 124 124 ASP N N 15 116.96 . . 1 . . . . . . . . 4329 1 549 . 1 1 125 125 ASP H H 1 8.03 . . 1 . . . . . . . . 4329 1 550 . 1 1 125 125 ASP HA H 1 5.16 . . 1 . . . . . . . . 4329 1 551 . 1 1 125 125 ASP C C 13 175.07 . . 1 . . . . . . . . 4329 1 552 . 1 1 125 125 ASP CA C 13 50.33 . . 1 . . . . . . . . 4329 1 553 . 1 1 125 125 ASP N N 15 119.03 . . 1 . . . . . . . . 4329 1 554 . 1 1 126 126 PRO HA H 1 4.54 . . 1 . . . . . . . . 4329 1 555 . 1 1 126 126 PRO C C 13 177.12 . . 1 . . . . . . . . 4329 1 556 . 1 1 126 126 PRO CA C 13 63.14 . . 1 . . . . . . . . 4329 1 557 . 1 1 127 127 LYS H H 1 7.99 . . 1 . . . . . . . . 4329 1 558 . 1 1 127 127 LYS HA H 1 4.30 . . 1 . . . . . . . . 4329 1 559 . 1 1 127 127 LYS C C 13 178.40 . . 1 . . . . . . . . 4329 1 560 . 1 1 127 127 LYS CA C 13 55.09 . . 1 . . . . . . . . 4329 1 561 . 1 1 127 127 LYS N N 15 115.15 . . 1 . . . . . . . . 4329 1 562 . 1 1 128 128 SER H H 1 7.48 . . 1 . . . . . . . . 4329 1 563 . 1 1 128 128 SER HA H 1 4.46 . . 1 . . . . . . . . 4329 1 564 . 1 1 128 128 SER C C 13 176.10 . . 1 . . . . . . . . 4329 1 565 . 1 1 128 128 SER CA C 13 56.50 . . 1 . . . . . . . . 4329 1 566 . 1 1 128 128 SER N N 15 116.21 . . 1 . . . . . . . . 4329 1 567 . 1 1 129 129 PRO HA H 1 4.48 . . 1 . . . . . . . . 4329 1 568 . 1 1 129 129 PRO C C 13 177.55 . . 1 . . . . . . . . 4329 1 569 . 1 1 129 129 PRO CA C 13 64.67 . . 1 . . . . . . . . 4329 1 570 . 1 1 130 130 ILE H H 1 7.37 . . 1 . . . . . . . . 4329 1 571 . 1 1 130 130 ILE HA H 1 4.52 . . 1 . . . . . . . . 4329 1 572 . 1 1 130 130 ILE C C 13 173.97 . . 1 . . . . . . . . 4329 1 573 . 1 1 130 130 ILE CA C 13 60.15 . . 1 . . . . . . . . 4329 1 574 . 1 1 130 130 ILE N N 15 108.38 . . 1 . . . . . . . . 4329 1 575 . 1 1 131 131 ALA H H 1 7.51 . . 1 . . . . . . . . 4329 1 576 . 1 1 131 131 ALA HA H 1 4.19 . . 1 . . . . . . . . 4329 1 577 . 1 1 131 131 ALA C C 13 179.41 . . 1 . . . . . . . . 4329 1 578 . 1 1 131 131 ALA CA C 13 53.82 . . 1 . . . . . . . . 4329 1 579 . 1 1 131 131 ALA N N 15 122.72 . . 1 . . . . . . . . 4329 1 580 . 1 1 132 132 GLY H H 1 8.87 . . 1 . . . . . . . . 4329 1 581 . 1 1 132 132 GLY HA2 H 1 3.69 . . 2 . . . . . . . . 4329 1 582 . 1 1 132 132 GLY HA3 H 1 4.18 . . 2 . . . . . . . . 4329 1 583 . 1 1 132 132 GLY C C 13 174.10 . . 1 . . . . . . . . 4329 1 584 . 1 1 132 132 GLY CA C 13 45.23 . . 1 . . . . . . . . 4329 1 585 . 1 1 132 132 GLY N N 15 110.29 . . 1 . . . . . . . . 4329 1 586 . 1 1 133 133 MET H H 1 8.05 . . 1 . . . . . . . . 4329 1 587 . 1 1 133 133 MET HA H 1 4.61 . . 1 . . . . . . . . 4329 1 588 . 1 1 133 133 MET CA C 13 54.05 . . 1 . . . . . . . . 4329 1 589 . 1 1 133 133 MET N N 15 123.64 . . 1 . . . . . . . . 4329 1 590 . 1 1 134 134 PRO HA H 1 4.40 . . 1 . . . . . . . . 4329 1 591 . 1 1 134 134 PRO C C 13 176.80 . . 1 . . . . . . . . 4329 1 592 . 1 1 134 134 PRO CA C 13 62.94 . . 1 . . . . . . . . 4329 1 593 . 1 1 135 135 VAL H H 1 8.08 . . 1 . . . . . . . . 4329 1 594 . 1 1 135 135 VAL HA H 1 4.78 . . 1 . . . . . . . . 4329 1 595 . 1 1 135 135 VAL C C 13 174.59 . . 1 . . . . . . . . 4329 1 596 . 1 1 135 135 VAL CA C 13 59.99 . . 1 . . . . . . . . 4329 1 597 . 1 1 135 135 VAL N N 15 114.37 . . 1 . . . . . . . . 4329 1 598 . 1 1 136 136 LEU H H 1 8.33 . . 1 . . . . . . . . 4329 1 599 . 1 1 136 136 LEU HA H 1 4.59 . . 1 . . . . . . . . 4329 1 600 . 1 1 136 136 LEU C C 13 176.92 . . 1 . . . . . . . . 4329 1 601 . 1 1 136 136 LEU CA C 13 54.28 . . 1 . . . . . . . . 4329 1 602 . 1 1 136 136 LEU N N 15 120.67 . . 1 . . . . . . . . 4329 1 603 . 1 1 137 137 GLU H H 1 8.33 . . 1 . . . . . . . . 4329 1 604 . 1 1 137 137 GLU HA H 1 2.30 . . 1 . . . . . . . . 4329 1 605 . 1 1 137 137 GLU C C 13 176.67 . . 1 . . . . . . . . 4329 1 606 . 1 1 137 137 GLU CA C 13 54.08 . . 1 . . . . . . . . 4329 1 607 . 1 1 137 137 GLU N N 15 124.98 . . 1 . . . . . . . . 4329 1 608 . 1 1 138 138 VAL H H 1 7.32 . . 1 . . . . . . . . 4329 1 609 . 1 1 138 138 VAL HA H 1 2.19 . . 1 . . . . . . . . 4329 1 610 . 1 1 138 138 VAL C C 13 174.70 . . 1 . . . . . . . . 4329 1 611 . 1 1 138 138 VAL CA C 13 62.69 . . 1 . . . . . . . . 4329 1 612 . 1 1 138 138 VAL N N 15 111.48 . . 1 . . . . . . . . 4329 1 613 . 1 1 139 139 TRP H H 1 6.51 . . 1 . . . . . . . . 4329 1 614 . 1 1 139 139 TRP HA H 1 4.45 . . 1 . . . . . . . . 4329 1 615 . 1 1 139 139 TRP C C 13 175.65 . . 1 . . . . . . . . 4329 1 616 . 1 1 139 139 TRP CA C 13 58.36 . . 1 . . . . . . . . 4329 1 617 . 1 1 139 139 TRP N N 15 110.91 . . 1 . . . . . . . . 4329 1 618 . 1 1 140 140 LYS H H 1 6.59 . . 1 . . . . . . . . 4329 1 619 . 1 1 140 140 LYS HA H 1 4.02 . . 1 . . . . . . . . 4329 1 620 . 1 1 140 140 LYS C C 13 175.55 . . 1 . . . . . . . . 4329 1 621 . 1 1 140 140 LYS CA C 13 57.43 . . 1 . . . . . . . . 4329 1 622 . 1 1 140 140 LYS N N 15 120.23 . . 1 . . . . . . . . 4329 1 623 . 1 1 141 141 ALA H H 1 7.24 . . 1 . . . . . . . . 4329 1 624 . 1 1 141 141 ALA HA H 1 4.75 . . 1 . . . . . . . . 4329 1 625 . 1 1 141 141 ALA C C 13 176.74 . . 1 . . . . . . . . 4329 1 626 . 1 1 141 141 ALA CA C 13 51.76 . . 1 . . . . . . . . 4329 1 627 . 1 1 141 141 ALA N N 15 120.90 . . 1 . . . . . . . . 4329 1 628 . 1 1 142 142 GLN H H 1 7.63 . . 1 . . . . . . . . 4329 1 629 . 1 1 142 142 GLN HA H 1 4.08 . . 1 . . . . . . . . 4329 1 630 . 1 1 142 142 GLN C C 13 177.28 . . 1 . . . . . . . . 4329 1 631 . 1 1 142 142 GLN CA C 13 59.82 . . 1 . . . . . . . . 4329 1 632 . 1 1 142 142 GLN N N 15 116.49 . . 1 . . . . . . . . 4329 1 633 . 1 1 143 143 ASN H H 1 8.16 . . 1 . . . . . . . . 4329 1 634 . 1 1 143 143 ASN HA H 1 5.39 . . 1 . . . . . . . . 4329 1 635 . 1 1 143 143 ASN C C 13 172.27 . . 1 . . . . . . . . 4329 1 636 . 1 1 143 143 ASN CA C 13 53.27 . . 1 . . . . . . . . 4329 1 637 . 1 1 143 143 ASN N N 15 113.24 . . 1 . . . . . . . . 4329 1 638 . 1 1 144 144 VAL H H 1 8.85 . . 1 . . . . . . . . 4329 1 639 . 1 1 144 144 VAL HA H 1 4.58 . . 1 . . . . . . . . 4329 1 640 . 1 1 144 144 VAL C C 13 174.08 . . 1 . . . . . . . . 4329 1 641 . 1 1 144 144 VAL CA C 13 61.61 . . 1 . . . . . . . . 4329 1 642 . 1 1 144 144 VAL N N 15 122.09 . . 1 . . . . . . . . 4329 1 643 . 1 1 145 145 ILE H H 1 9.18 . . 1 . . . . . . . . 4329 1 644 . 1 1 145 145 ILE HA H 1 5.18 . . 1 . . . . . . . . 4329 1 645 . 1 1 145 145 ILE C C 13 175.06 . . 1 . . . . . . . . 4329 1 646 . 1 1 145 145 ILE CA C 13 59.30 . . 1 . . . . . . . . 4329 1 647 . 1 1 145 145 ILE N N 15 128.09 . . 1 . . . . . . . . 4329 1 648 . 1 1 146 146 VAL H H 1 9.03 . . 1 . . . . . . . . 4329 1 649 . 1 1 146 146 VAL HA H 1 4.66 . . 1 . . . . . . . . 4329 1 650 . 1 1 146 146 VAL C C 13 173.30 . . 1 . . . . . . . . 4329 1 651 . 1 1 146 146 VAL CA C 13 62.12 . . 1 . . . . . . . . 4329 1 652 . 1 1 146 146 VAL N N 15 127.54 . . 1 . . . . . . . . 4329 1 653 . 1 1 147 147 PHE H H 1 9.36 . . 1 . . . . . . . . 4329 1 654 . 1 1 147 147 PHE HA H 1 5.43 . . 1 . . . . . . . . 4329 1 655 . 1 1 147 147 PHE C C 13 175.13 . . 1 . . . . . . . . 4329 1 656 . 1 1 147 147 PHE CA C 13 55.91 . . 1 . . . . . . . . 4329 1 657 . 1 1 147 147 PHE N N 15 127.08 . . 1 . . . . . . . . 4329 1 658 . 1 1 148 148 LYS H H 1 7.88 . . 1 . . . . . . . . 4329 1 659 . 1 1 148 148 LYS HA H 1 5.82 . . 1 . . . . . . . . 4329 1 660 . 1 1 148 148 LYS C C 13 175.30 . . 1 . . . . . . . . 4329 1 661 . 1 1 148 148 LYS CA C 13 54.96 . . 1 . . . . . . . . 4329 1 662 . 1 1 148 148 LYS N N 15 118.50 . . 1 . . . . . . . . 4329 1 663 . 1 1 149 149 ARG H H 1 10.66 . . 1 . . . . . . . . 4329 1 664 . 1 1 149 149 ARG C C 13 177.61 . . 1 . . . . . . . . 4329 1 665 . 1 1 149 149 ARG CA C 13 59.29 . . 1 . . . . . . . . 4329 1 666 . 1 1 149 149 ARG N N 15 120.84 . . 1 . . . . . . . . 4329 1 667 . 1 1 150 150 SER H H 1 9.22 . . 1 . . . . . . . . 4329 1 668 . 1 1 150 150 SER HA H 1 4.32 . . 1 . . . . . . . . 4329 1 669 . 1 1 150 150 SER C C 13 173.42 . . 1 . . . . . . . . 4329 1 670 . 1 1 150 150 SER CA C 13 57.88 . . 1 . . . . . . . . 4329 1 671 . 1 1 150 150 SER N N 15 118.23 . . 1 . . . . . . . . 4329 1 672 . 1 1 151 151 MET H H 1 8.13 . . 1 . . . . . . . . 4329 1 673 . 1 1 151 151 MET HA H 1 4.87 . . 1 . . . . . . . . 4329 1 674 . 1 1 151 151 MET C C 13 176.62 . . 1 . . . . . . . . 4329 1 675 . 1 1 151 151 MET CA C 13 53.47 . . 1 . . . . . . . . 4329 1 676 . 1 1 151 151 MET N N 15 115.92 . . 1 . . . . . . . . 4329 1 677 . 1 1 152 152 ASN H H 1 8.55 . . 1 . . . . . . . . 4329 1 678 . 1 1 152 152 ASN HA H 1 4.60 . . 1 . . . . . . . . 4329 1 679 . 1 1 152 152 ASN C C 13 176.99 . . 1 . . . . . . . . 4329 1 680 . 1 1 152 152 ASN CA C 13 53.56 . . 1 . . . . . . . . 4329 1 681 . 1 1 152 152 ASN N N 15 118.87 . . 1 . . . . . . . . 4329 1 682 . 1 1 153 153 THR H H 1 8.18 . . 1 . . . . . . . . 4329 1 683 . 1 1 153 153 THR HA H 1 4.86 . . 1 . . . . . . . . 4329 1 684 . 1 1 153 153 THR C C 13 174.84 . . 1 . . . . . . . . 4329 1 685 . 1 1 153 153 THR CA C 13 61.43 . . 1 . . . . . . . . 4329 1 686 . 1 1 153 153 THR N N 15 110.04 . . 1 . . . . . . . . 4329 1 687 . 1 1 154 154 GLY H H 1 8.64 . . 1 . . . . . . . . 4329 1 688 . 1 1 154 154 GLY HA2 H 1 4.30 . . 2 . . . . . . . . 4329 1 689 . 1 1 154 154 GLY HA3 H 1 4.59 . . 2 . . . . . . . . 4329 1 690 . 1 1 154 154 GLY C C 13 174.69 . . 1 . . . . . . . . 4329 1 691 . 1 1 154 154 GLY CA C 13 43.87 . . 1 . . . . . . . . 4329 1 692 . 1 1 154 154 GLY N N 15 108.72 . . 1 . . . . . . . . 4329 1 693 . 1 1 155 155 TYR H H 1 8.54 . . 1 . . . . . . . . 4329 1 694 . 1 1 155 155 TYR HA H 1 4.70 . . 1 . . . . . . . . 4329 1 695 . 1 1 155 155 TYR C C 13 178.10 . . 1 . . . . . . . . 4329 1 696 . 1 1 155 155 TYR CA C 13 62.07 . . 1 . . . . . . . . 4329 1 697 . 1 1 155 155 TYR N N 15 125.58 . . 1 . . . . . . . . 4329 1 698 . 1 1 156 156 ALA H H 1 10.96 . . 1 . . . . . . . . 4329 1 699 . 1 1 156 156 ALA HA H 1 3.71 . . 1 . . . . . . . . 4329 1 700 . 1 1 156 156 ALA C C 13 178.10 . . 1 . . . . . . . . 4329 1 701 . 1 1 156 156 ALA CA C 13 53.26 . . 1 . . . . . . . . 4329 1 702 . 1 1 156 156 ALA N N 15 120.44 . . 1 . . . . . . . . 4329 1 703 . 1 1 157 157 GLY H H 1 7.88 . . 1 . . . . . . . . 4329 1 704 . 1 1 157 157 GLY HA2 H 1 3.89 . . 1 . . . . . . . . 4329 1 705 . 1 1 157 157 GLY HA3 H 1 3.89 . . 1 . . . . . . . . 4329 1 706 . 1 1 157 157 GLY C C 13 174.47 . . 1 . . . . . . . . 4329 1 707 . 1 1 157 157 GLY CA C 13 46.35 . . 1 . . . . . . . . 4329 1 708 . 1 1 157 157 GLY N N 15 105.34 . . 1 . . . . . . . . 4329 1 709 . 1 1 158 158 VAL H H 1 8.49 . . 1 . . . . . . . . 4329 1 710 . 1 1 158 158 VAL HA H 1 4.68 . . 1 . . . . . . . . 4329 1 711 . 1 1 158 158 VAL C C 13 175.46 . . 1 . . . . . . . . 4329 1 712 . 1 1 158 158 VAL CA C 13 58.85 . . 1 . . . . . . . . 4329 1 713 . 1 1 158 158 VAL N N 15 112.97 . . 1 . . . . . . . . 4329 1 714 . 1 1 159 159 GLN H H 1 8.62 . . 1 . . . . . . . . 4329 1 715 . 1 1 159 159 GLN HA H 1 3.99 . . 1 . . . . . . . . 4329 1 716 . 1 1 159 159 GLN C C 13 174.29 . . 1 . . . . . . . . 4329 1 717 . 1 1 159 159 GLN CA C 13 55.73 . . 1 . . . . . . . . 4329 1 718 . 1 1 159 159 GLN N N 15 121.43 . . 1 . . . . . . . . 4329 1 719 . 1 1 160 160 ASN H H 1 8.35 . . 1 . . . . . . . . 4329 1 720 . 1 1 160 160 ASN HA H 1 5.07 . . 1 . . . . . . . . 4329 1 721 . 1 1 160 160 ASN CA C 13 49.29 . . 1 . . . . . . . . 4329 1 722 . 1 1 160 160 ASN N N 15 121.12 . . 1 . . . . . . . . 4329 1 723 . 1 1 161 161 PRO HA H 1 4.26 . . 1 . . . . . . . . 4329 1 724 . 1 1 161 161 PRO C C 13 178.53 . . 1 . . . . . . . . 4329 1 725 . 1 1 161 161 PRO CA C 13 63.50 . . 1 . . . . . . . . 4329 1 726 . 1 1 162 162 LEU H H 1 8.37 . . 1 . . . . . . . . 4329 1 727 . 1 1 162 162 LEU HA H 1 3.58 . . 1 . . . . . . . . 4329 1 728 . 1 1 162 162 LEU C C 13 178.44 . . 1 . . . . . . . . 4329 1 729 . 1 1 162 162 LEU CA C 13 57.68 . . 1 . . . . . . . . 4329 1 730 . 1 1 162 162 LEU N N 15 118.25 . . 1 . . . . . . . . 4329 1 731 . 1 1 163 163 PHE H H 1 6.92 . . 1 . . . . . . . . 4329 1 732 . 1 1 163 163 PHE HA H 1 4.42 . . 1 . . . . . . . . 4329 1 733 . 1 1 163 163 PHE C C 13 173.80 . . 1 . . . . . . . . 4329 1 734 . 1 1 163 163 PHE CA C 13 55.02 . . 1 . . . . . . . . 4329 1 735 . 1 1 163 163 PHE N N 15 112.85 . . 1 . . . . . . . . 4329 1 736 . 1 1 164 164 PHE H H 1 7.11 . . 1 . . . . . . . . 4329 1 737 . 1 1 164 164 PHE HA H 1 4.93 . . 1 . . . . . . . . 4329 1 738 . 1 1 164 164 PHE C C 13 176.44 . . 1 . . . . . . . . 4329 1 739 . 1 1 164 164 PHE CA C 13 54.92 . . 1 . . . . . . . . 4329 1 740 . 1 1 164 164 PHE N N 15 113.98 . . 1 . . . . . . . . 4329 1 741 . 1 1 165 165 LYS H H 1 7.26 . . 1 . . . . . . . . 4329 1 742 . 1 1 165 165 LYS HA H 1 4.32 . . 1 . . . . . . . . 4329 1 743 . 1 1 165 165 LYS C C 13 178.65 . . 1 . . . . . . . . 4329 1 744 . 1 1 165 165 LYS CA C 13 56.70 . . 1 . . . . . . . . 4329 1 745 . 1 1 165 165 LYS N N 15 120.38 . . 1 . . . . . . . . 4329 1 746 . 1 1 166 166 GLU H H 1 9.10 . . 1 . . . . . . . . 4329 1 747 . 1 1 166 166 GLU HA H 1 3.85 . . 1 . . . . . . . . 4329 1 748 . 1 1 166 166 GLU C C 13 175.24 . . 1 . . . . . . . . 4329 1 749 . 1 1 166 166 GLU CA C 13 58.98 . . 1 . . . . . . . . 4329 1 750 . 1 1 166 166 GLU N N 15 120.10 . . 1 . . . . . . . . 4329 1 751 . 1 1 167 167 ASN H H 1 8.49 . . 1 . . . . . . . . 4329 1 752 . 1 1 167 167 ASN HA H 1 4.87 . . 1 . . . . . . . . 4329 1 753 . 1 1 167 167 ASN C C 13 175.68 . . 1 . . . . . . . . 4329 1 754 . 1 1 167 167 ASN CA C 13 52.10 . . 1 . . . . . . . . 4329 1 755 . 1 1 167 167 ASN N N 15 112.52 . . 1 . . . . . . . . 4329 1 756 . 1 1 168 168 THR H H 1 7.61 . . 1 . . . . . . . . 4329 1 757 . 1 1 168 168 THR HA H 1 5.29 . . 1 . . . . . . . . 4329 1 758 . 1 1 168 168 THR C C 13 174.27 . . 1 . . . . . . . . 4329 1 759 . 1 1 168 168 THR CA C 13 61.18 . . 1 . . . . . . . . 4329 1 760 . 1 1 168 168 THR N N 15 117.99 . . 1 . . . . . . . . 4329 1 761 . 1 1 169 169 HIS H H 1 9.37 . . 1 . . . . . . . . 4329 1 762 . 1 1 169 169 HIS HA H 1 5.04 . . 1 . . . . . . . . 4329 1 763 . 1 1 169 169 HIS C C 13 174.00 . . 1 . . . . . . . . 4329 1 764 . 1 1 169 169 HIS CA C 13 55.17 . . 1 . . . . . . . . 4329 1 765 . 1 1 169 169 HIS N N 15 126.11 . . 1 . . . . . . . . 4329 1 766 . 1 1 170 170 MET H H 1 9.02 . . 1 . . . . . . . . 4329 1 767 . 1 1 170 170 MET HA H 1 4.50 . . 1 . . . . . . . . 4329 1 768 . 1 1 170 170 MET C C 13 173.90 . . 1 . . . . . . . . 4329 1 769 . 1 1 170 170 MET CA C 13 52.55 . . 1 . . . . . . . . 4329 1 770 . 1 1 170 170 MET N N 15 119.72 . . 1 . . . . . . . . 4329 1 771 . 1 1 171 171 LEU H H 1 8.83 . . 1 . . . . . . . . 4329 1 772 . 1 1 171 171 LEU HA H 1 4.52 . . 1 . . . . . . . . 4329 1 773 . 1 1 171 171 LEU C C 13 175.50 . . 1 . . . . . . . . 4329 1 774 . 1 1 171 171 LEU CA C 13 52.64 . . 1 . . . . . . . . 4329 1 775 . 1 1 171 171 LEU N N 15 129.51 . . 1 . . . . . . . . 4329 1 776 . 1 1 172 172 PHE H H 1 8.63 . . 1 . . . . . . . . 4329 1 777 . 1 1 172 172 PHE HA H 1 5.59 . . 1 . . . . . . . . 4329 1 778 . 1 1 172 172 PHE C C 13 177.10 . . 1 . . . . . . . . 4329 1 779 . 1 1 172 172 PHE CA C 13 57.35 . . 1 . . . . . . . . 4329 1 780 . 1 1 172 172 PHE N N 15 123.68 . . 1 . . . . . . . . 4329 1 781 . 1 1 173 173 GLY H H 1 8.72 . . 1 . . . . . . . . 4329 1 782 . 1 1 173 173 GLY HA2 H 1 3.91 . . 2 . . . . . . . . 4329 1 783 . 1 1 173 173 GLY HA3 H 1 4.31 . . 2 . . . . . . . . 4329 1 784 . 1 1 173 173 GLY C C 13 173.79 . . 1 . . . . . . . . 4329 1 785 . 1 1 173 173 GLY CA C 13 43.82 . . 1 . . . . . . . . 4329 1 786 . 1 1 173 173 GLY N N 15 110.11 . . 1 . . . . . . . . 4329 1 787 . 1 1 174 174 ASP H H 1 8.84 . . 1 . . . . . . . . 4329 1 788 . 1 1 174 174 ASP HA H 1 4.69 . . 1 . . . . . . . . 4329 1 789 . 1 1 174 174 ASP C C 13 177.92 . . 1 . . . . . . . . 4329 1 790 . 1 1 174 174 ASP CA C 13 54.79 . . 1 . . . . . . . . 4329 1 791 . 1 1 174 174 ASP N N 15 122.09 . . 1 . . . . . . . . 4329 1 792 . 1 1 175 175 ALA H H 1 10.81 . . 1 . . . . . . . . 4329 1 793 . 1 1 175 175 ALA HA H 1 4.05 . . 1 . . . . . . . . 4329 1 794 . 1 1 175 175 ALA C C 13 178.65 . . 1 . . . . . . . . 4329 1 795 . 1 1 175 175 ALA CA C 13 55.90 . . 1 . . . . . . . . 4329 1 796 . 1 1 175 175 ALA N N 15 126.14 . . 1 . . . . . . . . 4329 1 797 . 1 1 176 176 LYS H H 1 7.95 . . 1 . . . . . . . . 4329 1 798 . 1 1 176 176 LYS HA H 1 3.72 . . 1 . . . . . . . . 4329 1 799 . 1 1 176 176 LYS C C 13 176.69 . . 1 . . . . . . . . 4329 1 800 . 1 1 176 176 LYS CA C 13 60.26 . . 1 . . . . . . . . 4329 1 801 . 1 1 176 176 LYS N N 15 116.00 . . 1 . . . . . . . . 4329 1 802 . 1 1 177 177 ALA H H 1 7.69 . . 1 . . . . . . . . 4329 1 803 . 1 1 177 177 ALA HA H 1 4.18 . . 1 . . . . . . . . 4329 1 804 . 1 1 177 177 ALA C C 13 181.83 . . 1 . . . . . . . . 4329 1 805 . 1 1 177 177 ALA CA C 13 55.19 . . 1 . . . . . . . . 4329 1 806 . 1 1 177 177 ALA N N 15 121.30 . . 1 . . . . . . . . 4329 1 807 . 1 1 178 178 SER H H 1 8.91 . . 1 . . . . . . . . 4329 1 808 . 1 1 178 178 SER HA H 1 4.18 . . 1 . . . . . . . . 4329 1 809 . 1 1 178 178 SER C C 13 175.55 . . 1 . . . . . . . . 4329 1 810 . 1 1 178 178 SER CA C 13 61.75 . . 1 . . . . . . . . 4329 1 811 . 1 1 178 178 SER N N 15 115.22 . . 1 . . . . . . . . 4329 1 812 . 1 1 179 179 VAL H H 1 8.23 . . 1 . . . . . . . . 4329 1 813 . 1 1 179 179 VAL HA H 1 3.64 . . 1 . . . . . . . . 4329 1 814 . 1 1 179 179 VAL C C 13 177.33 . . 1 . . . . . . . . 4329 1 815 . 1 1 179 179 VAL CA C 13 67.35 . . 1 . . . . . . . . 4329 1 816 . 1 1 179 179 VAL N N 15 119.39 . . 1 . . . . . . . . 4329 1 817 . 1 1 180 180 ASP H H 1 8.85 . . 1 . . . . . . . . 4329 1 818 . 1 1 180 180 ASP HA H 1 4.40 . . 1 . . . . . . . . 4329 1 819 . 1 1 180 180 ASP C C 13 178.70 . . 1 . . . . . . . . 4329 1 820 . 1 1 180 180 ASP CA C 13 57.80 . . 1 . . . . . . . . 4329 1 821 . 1 1 180 180 ASP N N 15 120.95 . . 1 . . . . . . . . 4329 1 822 . 1 1 181 181 ALA H H 1 7.79 . . 1 . . . . . . . . 4329 1 823 . 1 1 181 181 ALA HA H 1 4.07 . . 1 . . . . . . . . 4329 1 824 . 1 1 181 181 ALA C C 13 180.57 . . 1 . . . . . . . . 4329 1 825 . 1 1 181 181 ALA CA C 13 54.99 . . 1 . . . . . . . . 4329 1 826 . 1 1 181 181 ALA N N 15 121.12 . . 1 . . . . . . . . 4329 1 827 . 1 1 182 182 ILE H H 1 8.02 . . 1 . . . . . . . . 4329 1 828 . 1 1 182 182 ILE HA H 1 3.59 . . 1 . . . . . . . . 4329 1 829 . 1 1 182 182 ILE C C 13 177.55 . . 1 . . . . . . . . 4329 1 830 . 1 1 182 182 ILE CA C 13 62.53 . . 1 . . . . . . . . 4329 1 831 . 1 1 182 182 ILE N N 15 120.00 . . 1 . . . . . . . . 4329 1 832 . 1 1 183 183 LEU H H 1 8.44 . . 1 . . . . . . . . 4329 1 833 . 1 1 183 183 LEU HA H 1 3.77 . . 1 . . . . . . . . 4329 1 834 . 1 1 183 183 LEU C C 13 179.11 . . 1 . . . . . . . . 4329 1 835 . 1 1 183 183 LEU CA C 13 59.38 . . 1 . . . . . . . . 4329 1 836 . 1 1 183 183 LEU N N 15 118.75 . . 1 . . . . . . . . 4329 1 837 . 1 1 184 184 LYS H H 1 7.48 . . 1 . . . . . . . . 4329 1 838 . 1 1 184 184 LYS HA H 1 4.04 . . 1 . . . . . . . . 4329 1 839 . 1 1 184 184 LYS C C 13 176.43 . . 1 . . . . . . . . 4329 1 840 . 1 1 184 184 LYS CA C 13 58.15 . . 1 . . . . . . . . 4329 1 841 . 1 1 184 184 LYS N N 15 115.96 . . 1 . . . . . . . . 4329 1 842 . 1 1 185 185 ALA H H 1 7.49 . . 1 . . . . . . . . 4329 1 843 . 1 1 185 185 ALA HA H 1 4.41 . . 1 . . . . . . . . 4329 1 844 . 1 1 185 185 ALA C C 13 176.24 . . 1 . . . . . . . . 4329 1 845 . 1 1 185 185 ALA CA C 13 51.63 . . 1 . . . . . . . . 4329 1 846 . 1 1 185 185 ALA N N 15 120.55 . . 1 . . . . . . . . 4329 1 847 . 1 1 186 186 LEU H H 1 7.19 . . 1 . . . . . . . . 4329 1 848 . 1 1 186 186 LEU HA H 1 3.93 . . 1 . . . . . . . . 4329 1 849 . 1 1 186 186 LEU C C 13 181.07 . . 1 . . . . . . . . 4329 1 850 . 1 1 186 186 LEU CA C 13 57.11 . . 1 . . . . . . . . 4329 1 851 . 1 1 186 186 LEU N N 15 124.86 . . 1 . . . . . . . . 4329 1 stop_ save_