data_5270 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5270 _Entry.Title ; Backbone 1H, 15N and 13C resonance assignments of YqgF, an Escherichia coli protein of unknown structure and function ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-01-31 _Entry.Accession_date 2002-01-31 _Entry.Last_release_date . _Entry.Original_release_date . _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 Dingjiang Liu . . . 5270 2 Prasanti Repaka . . . 5270 3 Shane Taremi . S . 5270 4 Daniel Wyss . F . 5270 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5270 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 213 5270 '13C chemical shifts' 340 5270 '15N chemical shifts' 111 5270 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-04-09 . update BMRB 'addition of relation loop' 5270 2 . . 2003-01-06 . original author 'original release' 5270 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5758 'full assignment of YqgF' 5270 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5270 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22147548 _Citation.DOI . _Citation.PubMed_ID 12153044 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Backbone 1H, 15N and 13C Resonance Assignments of YqgF, an Escherichia coli Protein of unknown Structure and Function ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 23 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 159 _Citation.Page_last 160 _Citation.Year 2002 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Dingjiang Liu . . . 5270 1 2 Prasanti Repaka . . . 5270 1 3 Shane Taremi . S . 5270 1 4 Daniel Wyss . F . 5270 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID YqgF 5270 1 'structural genomics' 5270 1 'NMR assignments' 5270 1 'antibiotics resistance' 5270 1 anti-microbial 5270 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_YqgF _Assembly.Sf_category assembly _Assembly.Sf_framecode system_YqgF _Assembly.Entry_ID 5270 _Assembly.ID 1 _Assembly.Name YqgF _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5270 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 YqgF 1 $YqgF . . . native . . . . . 5270 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID YqgF system 5270 1 YqgF abbreviation 5270 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YqgF _Entity.Sf_category entity _Entity.Sf_framecode YqgF _Entity.Entry_ID 5270 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YqgF _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 ; RGSMADIGSMSGTLLAFDFG TKSIGVAVGQRITGTARPLP AIKAQDGTPDWNIIERLLKE WQPDEIIVGLPLNMDGTEQP LTARARKFANRIHGRFGVEV KLHDERLSTVEARSGLFEQG GYRALNKGKVDSASAVIILE SYFEQGY ; _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 147 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The construct used here including a N-terminal RGSMADIGS sequence which is not included in chemical shift data. ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 5758 . YqgF . . . . . 100.00 147 100.00 100.00 8.07e-102 . . . . 5270 1 2 no PDB 1NMN . "Structure Of Yqgf From Escherichia Coli, A Hypothetical Protein" . . . . . 93.88 138 100.00 100.00 3.72e-95 . . . . 5270 1 3 no PDB 1NU0 . "Structure Of The Double Mutant (L6m; F134m, Semet Form) Of Yqgf From Escherichia Coli, A Hypothetical Protein" . . . . . 93.20 138 97.81 97.81 5.14e-91 . . . . 5270 1 4 no PDB 1OVQ . "Solution Structure Of The Hypothetical Protein Yqgf From Escherichia Coli" . . . . . 93.20 138 100.00 100.00 5.23e-94 . . . . 5270 1 5 no DBJ BAB37248 . "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 93.88 138 98.55 100.00 1.68e-94 . . . . 5270 1 6 no DBJ BAE77012 . "predicted Holliday junction resolvase [Escherichia coli str. K-12 substr. W3110]" . . . . . 93.88 138 100.00 100.00 3.72e-95 . . . . 5270 1 7 no DBJ BAG78741 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 93.88 138 99.28 100.00 1.52e-94 . . . . 5270 1 8 no DBJ BAI27233 . "predicted Holliday junction resolvase [Escherichia coli O26:H11 str. 11368]" . . . . . 93.88 138 99.28 100.00 9.11e-95 . . . . 5270 1 9 no DBJ BAI32263 . "predicted Holliday junction resolvase [Escherichia coli O103:H2 str. 12009]" . . . . . 93.88 138 99.28 100.00 9.11e-95 . . . . 5270 1 10 no EMBL CAP77386 . "Holliday junction resolvase [Escherichia coli LF82]" . . . . . 93.88 138 100.00 100.00 3.72e-95 . . . . 5270 1 11 no EMBL CAQ33259 . "predicted Holliday junction resolvase [Escherichia coli BL21(DE3)]" . . . . . 93.88 138 99.28 99.28 4.25e-94 . . . . 5270 1 12 no EMBL CAQ90381 . "Holliday junction resolvase [Escherichia fergusonii ATCC 35469]" . . . . . 93.88 138 99.28 100.00 9.11e-95 . . . . 5270 1 13 no EMBL CAQ99897 . "Holliday junction resolvase [Escherichia coli IAI1]" . . . . . 93.88 138 99.28 100.00 9.11e-95 . . . . 5270 1 14 no EMBL CAR04466 . "Holliday junction resolvase [Escherichia coli S88]" . . . . . 93.88 138 100.00 100.00 3.72e-95 . . . . 5270 1 15 no GB AAA69116 . "ORF_o180; was also ORF_o62p before splice [Escherichia coli str. K-12 substr. MG1655]" . . . . . 93.88 180 100.00 100.00 1.99e-94 . . . . 5270 1 16 no GB AAC75986 . "putative Holliday junction resolvase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 93.88 138 100.00 100.00 3.72e-95 . . . . 5270 1 17 no GB AAG58080 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 93.88 138 98.55 100.00 1.68e-94 . . . . 5270 1 18 no GB AAN44421 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 93.88 138 99.28 100.00 9.11e-95 . . . . 5270 1 19 no GB AAN81983 . "Hypothetical protein yqgF [Escherichia coli CFT073]" . . . . . 93.88 138 100.00 100.00 3.72e-95 . . . . 5270 1 20 no REF NP_289521 . "Holliday junction resolvase-like protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 93.88 138 98.55 100.00 1.68e-94 . . . . 5270 1 21 no REF NP_311852 . "Holliday junction resolvase-like protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 93.88 138 98.55 100.00 1.68e-94 . . . . 5270 1 22 no REF NP_417424 . "putative Holliday junction resolvase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 93.88 138 100.00 100.00 3.72e-95 . . . . 5270 1 23 no REF NP_708714 . "Holliday junction resolvase-like protein [Shigella flexneri 2a str. 301]" . . . . . 93.88 138 99.28 100.00 9.11e-95 . . . . 5270 1 24 no REF NP_755410 . "Holliday junction resolvase-like protein [Escherichia coli CFT073]" . . . . . 93.88 138 100.00 100.00 3.72e-95 . . . . 5270 1 25 no SP A1AFD5 . "RecName: Full=Putative Holliday junction resolvase [Escherichia coli APEC O1]" . . . . . 93.88 138 100.00 100.00 3.72e-95 . . . . 5270 1 26 no SP A7ZR72 . "RecName: Full=Putative Holliday junction resolvase [Escherichia coli E24377A]" . . . . . 93.88 138 99.28 100.00 9.11e-95 . . . . 5270 1 27 no SP A8A489 . "RecName: Full=Putative Holliday junction resolvase [Escherichia coli HS]" . . . . . 93.88 138 100.00 100.00 3.72e-95 . . . . 5270 1 28 no SP B1IT58 . "RecName: Full=Putative Holliday junction resolvase [Escherichia coli ATCC 8739]" . . . . . 93.88 138 100.00 100.00 3.72e-95 . . . . 5270 1 29 no SP B1LDF8 . "RecName: Full=Putative Holliday junction resolvase [Escherichia coli SMS-3-5]" . . . . . 93.88 138 99.28 100.00 9.11e-95 . . . . 5270 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID YqgF common 5270 1 YqgF abbreviation 5270 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 -9 ARG . 5270 1 2 -8 GLY . 5270 1 3 -7 SER . 5270 1 4 -6 MET . 5270 1 5 -5 ALA . 5270 1 6 -4 ASP . 5270 1 7 -3 ILE . 5270 1 8 -2 GLY . 5270 1 9 -1 SER . 5270 1 10 1 MET . 5270 1 11 2 SER . 5270 1 12 3 GLY . 5270 1 13 4 THR . 5270 1 14 5 LEU . 5270 1 15 6 LEU . 5270 1 16 7 ALA . 5270 1 17 8 PHE . 5270 1 18 9 ASP . 5270 1 19 10 PHE . 5270 1 20 11 GLY . 5270 1 21 12 THR . 5270 1 22 13 LYS . 5270 1 23 14 SER . 5270 1 24 15 ILE . 5270 1 25 16 GLY . 5270 1 26 17 VAL . 5270 1 27 18 ALA . 5270 1 28 19 VAL . 5270 1 29 20 GLY . 5270 1 30 21 GLN . 5270 1 31 22 ARG . 5270 1 32 23 ILE . 5270 1 33 24 THR . 5270 1 34 25 GLY . 5270 1 35 26 THR . 5270 1 36 27 ALA . 5270 1 37 28 ARG . 5270 1 38 29 PRO . 5270 1 39 30 LEU . 5270 1 40 31 PRO . 5270 1 41 32 ALA . 5270 1 42 33 ILE . 5270 1 43 34 LYS . 5270 1 44 35 ALA . 5270 1 45 36 GLN . 5270 1 46 37 ASP . 5270 1 47 38 GLY . 5270 1 48 39 THR . 5270 1 49 40 PRO . 5270 1 50 41 ASP . 5270 1 51 42 TRP . 5270 1 52 43 ASN . 5270 1 53 44 ILE . 5270 1 54 45 ILE . 5270 1 55 46 GLU . 5270 1 56 47 ARG . 5270 1 57 48 LEU . 5270 1 58 49 LEU . 5270 1 59 50 LYS . 5270 1 60 51 GLU . 5270 1 61 52 TRP . 5270 1 62 53 GLN . 5270 1 63 54 PRO . 5270 1 64 55 ASP . 5270 1 65 56 GLU . 5270 1 66 57 ILE . 5270 1 67 58 ILE . 5270 1 68 59 VAL . 5270 1 69 60 GLY . 5270 1 70 61 LEU . 5270 1 71 62 PRO . 5270 1 72 63 LEU . 5270 1 73 64 ASN . 5270 1 74 65 MET . 5270 1 75 66 ASP . 5270 1 76 67 GLY . 5270 1 77 68 THR . 5270 1 78 69 GLU . 5270 1 79 70 GLN . 5270 1 80 71 PRO . 5270 1 81 72 LEU . 5270 1 82 73 THR . 5270 1 83 74 ALA . 5270 1 84 75 ARG . 5270 1 85 76 ALA . 5270 1 86 77 ARG . 5270 1 87 78 LYS . 5270 1 88 79 PHE . 5270 1 89 80 ALA . 5270 1 90 81 ASN . 5270 1 91 82 ARG . 5270 1 92 83 ILE . 5270 1 93 84 HIS . 5270 1 94 85 GLY . 5270 1 95 86 ARG . 5270 1 96 87 PHE . 5270 1 97 88 GLY . 5270 1 98 89 VAL . 5270 1 99 90 GLU . 5270 1 100 91 VAL . 5270 1 101 92 LYS . 5270 1 102 93 LEU . 5270 1 103 94 HIS . 5270 1 104 95 ASP . 5270 1 105 96 GLU . 5270 1 106 97 ARG . 5270 1 107 98 LEU . 5270 1 108 99 SER . 5270 1 109 100 THR . 5270 1 110 101 VAL . 5270 1 111 102 GLU . 5270 1 112 103 ALA . 5270 1 113 104 ARG . 5270 1 114 105 SER . 5270 1 115 106 GLY . 5270 1 116 107 LEU . 5270 1 117 108 PHE . 5270 1 118 109 GLU . 5270 1 119 110 GLN . 5270 1 120 111 GLY . 5270 1 121 112 GLY . 5270 1 122 113 TYR . 5270 1 123 114 ARG . 5270 1 124 115 ALA . 5270 1 125 116 LEU . 5270 1 126 117 ASN . 5270 1 127 118 LYS . 5270 1 128 119 GLY . 5270 1 129 120 LYS . 5270 1 130 121 VAL . 5270 1 131 122 ASP . 5270 1 132 123 SER . 5270 1 133 124 ALA . 5270 1 134 125 SER . 5270 1 135 126 ALA . 5270 1 136 127 VAL . 5270 1 137 128 ILE . 5270 1 138 129 ILE . 5270 1 139 130 LEU . 5270 1 140 131 GLU . 5270 1 141 132 SER . 5270 1 142 133 TYR . 5270 1 143 134 PHE . 5270 1 144 135 GLU . 5270 1 145 136 GLN . 5270 1 146 137 GLY . 5270 1 147 138 TYR . 5270 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 . ARG 1 1 5270 1 . GLY 2 2 5270 1 . SER 3 3 5270 1 . MET 4 4 5270 1 . ALA 5 5 5270 1 . ASP 6 6 5270 1 . ILE 7 7 5270 1 . GLY 8 8 5270 1 . SER 9 9 5270 1 . MET 10 10 5270 1 . SER 11 11 5270 1 . GLY 12 12 5270 1 . THR 13 13 5270 1 . LEU 14 14 5270 1 . LEU 15 15 5270 1 . ALA 16 16 5270 1 . PHE 17 17 5270 1 . ASP 18 18 5270 1 . PHE 19 19 5270 1 . GLY 20 20 5270 1 . THR 21 21 5270 1 . LYS 22 22 5270 1 . SER 23 23 5270 1 . ILE 24 24 5270 1 . GLY 25 25 5270 1 . VAL 26 26 5270 1 . ALA 27 27 5270 1 . VAL 28 28 5270 1 . GLY 29 29 5270 1 . GLN 30 30 5270 1 . ARG 31 31 5270 1 . ILE 32 32 5270 1 . THR 33 33 5270 1 . GLY 34 34 5270 1 . THR 35 35 5270 1 . ALA 36 36 5270 1 . ARG 37 37 5270 1 . PRO 38 38 5270 1 . LEU 39 39 5270 1 . PRO 40 40 5270 1 . ALA 41 41 5270 1 . ILE 42 42 5270 1 . LYS 43 43 5270 1 . ALA 44 44 5270 1 . GLN 45 45 5270 1 . ASP 46 46 5270 1 . GLY 47 47 5270 1 . THR 48 48 5270 1 . PRO 49 49 5270 1 . ASP 50 50 5270 1 . TRP 51 51 5270 1 . ASN 52 52 5270 1 . ILE 53 53 5270 1 . ILE 54 54 5270 1 . GLU 55 55 5270 1 . ARG 56 56 5270 1 . LEU 57 57 5270 1 . LEU 58 58 5270 1 . LYS 59 59 5270 1 . GLU 60 60 5270 1 . TRP 61 61 5270 1 . GLN 62 62 5270 1 . PRO 63 63 5270 1 . ASP 64 64 5270 1 . GLU 65 65 5270 1 . ILE 66 66 5270 1 . ILE 67 67 5270 1 . VAL 68 68 5270 1 . GLY 69 69 5270 1 . LEU 70 70 5270 1 . PRO 71 71 5270 1 . LEU 72 72 5270 1 . ASN 73 73 5270 1 . MET 74 74 5270 1 . ASP 75 75 5270 1 . GLY 76 76 5270 1 . THR 77 77 5270 1 . GLU 78 78 5270 1 . GLN 79 79 5270 1 . PRO 80 80 5270 1 . LEU 81 81 5270 1 . THR 82 82 5270 1 . ALA 83 83 5270 1 . ARG 84 84 5270 1 . ALA 85 85 5270 1 . ARG 86 86 5270 1 . LYS 87 87 5270 1 . PHE 88 88 5270 1 . ALA 89 89 5270 1 . ASN 90 90 5270 1 . ARG 91 91 5270 1 . ILE 92 92 5270 1 . HIS 93 93 5270 1 . GLY 94 94 5270 1 . ARG 95 95 5270 1 . PHE 96 96 5270 1 . GLY 97 97 5270 1 . VAL 98 98 5270 1 . GLU 99 99 5270 1 . VAL 100 100 5270 1 . LYS 101 101 5270 1 . LEU 102 102 5270 1 . HIS 103 103 5270 1 . ASP 104 104 5270 1 . GLU 105 105 5270 1 . ARG 106 106 5270 1 . LEU 107 107 5270 1 . SER 108 108 5270 1 . THR 109 109 5270 1 . VAL 110 110 5270 1 . GLU 111 111 5270 1 . ALA 112 112 5270 1 . ARG 113 113 5270 1 . SER 114 114 5270 1 . GLY 115 115 5270 1 . LEU 116 116 5270 1 . PHE 117 117 5270 1 . GLU 118 118 5270 1 . GLN 119 119 5270 1 . GLY 120 120 5270 1 . GLY 121 121 5270 1 . TYR 122 122 5270 1 . ARG 123 123 5270 1 . ALA 124 124 5270 1 . LEU 125 125 5270 1 . ASN 126 126 5270 1 . LYS 127 127 5270 1 . GLY 128 128 5270 1 . LYS 129 129 5270 1 . VAL 130 130 5270 1 . ASP 131 131 5270 1 . SER 132 132 5270 1 . ALA 133 133 5270 1 . SER 134 134 5270 1 . ALA 135 135 5270 1 . VAL 136 136 5270 1 . ILE 137 137 5270 1 . ILE 138 138 5270 1 . LEU 139 139 5270 1 . GLU 140 140 5270 1 . SER 141 141 5270 1 . TYR 142 142 5270 1 . PHE 143 143 5270 1 . GLU 144 144 5270 1 . GLN 145 145 5270 1 . GLY 146 146 5270 1 . TYR 147 147 5270 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5270 _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 $YqgF . 562 . . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 5270 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 5270 _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 $YqgF . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5270 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5270 _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 YqgF [U-15N] . . 1 $YqgF . . . 0.3 1.0 mM . . . . 5270 1 2 KiPO4 . . . . . . . 75 . . mM . . . . 5270 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5270 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 YqgF '[U-13C; U-15N]' . . 1 $YqgF . . . 0.5 1.0 mM . . . . 5270 2 2 KiPO4 . . . . . . . 75 . . mM . . . . 5270 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5270 _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 7.5 0.1 n/a 5270 1 temperature 298 0.5 K 5270 1 'ionic strength' 0.45 0.05 M 5270 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 5270 _Software.ID 1 _Software.Name Felix _Software.Version 2000 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID process 5270 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5270 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5270 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian INOVA . 600 . . . 5270 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 5270 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5270 1 2 '1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5270 1 3 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5270 1 4 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5270 1 5 HN(CO) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5270 1 6 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5270 1 7 CBCACONNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5270 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 5270 _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 5270 _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 5270 _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 5270 _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 5270 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(CO) _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5270 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5270 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CBCACONNH _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 5270 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5270 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5270 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5270 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_cs_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode cs_set_1 _Assigned_chem_shift_list.Entry_ID 5270 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5270 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 MET N N 15 121.79 0.2 . 1 . . . . . . . . 5270 1 2 . 1 1 10 10 MET CA C 13 55.29 0.2 . 1 . . . . . . . . 5270 1 3 . 1 1 10 10 MET HA H 1 4.18 0.02 . 1 . . . . . . . . 5270 1 4 . 1 1 10 10 MET CB C 13 32.96 0.2 . 1 . . . . . . . . 5270 1 5 . 1 1 10 10 MET C C 13 176.36 0.2 . 1 . . . . . . . . 5270 1 6 . 1 1 11 11 SER N N 15 119.32 0.2 . 1 . . . . . . . . 5270 1 7 . 1 1 11 11 SER H H 1 9.46 0.02 . 1 . . . . . . . . 5270 1 8 . 1 1 11 11 SER CA C 13 59.00 0.2 . 1 . . . . . . . . 5270 1 9 . 1 1 11 11 SER HA H 1 4.53 0.02 . 1 . . . . . . . . 5270 1 10 . 1 1 11 11 SER CB C 13 64.50 0.2 . 1 . . . . . . . . 5270 1 11 . 1 1 11 11 SER C C 13 176.34 0.2 . 1 . . . . . . . . 5270 1 12 . 1 1 12 12 GLY N N 15 113.66 0.2 . 1 . . . . . . . . 5270 1 13 . 1 1 12 12 GLY H H 1 9.60 0.02 . 1 . . . . . . . . 5270 1 14 . 1 1 12 12 GLY CA C 13 46.08 0.2 . 1 . . . . . . . . 5270 1 15 . 1 1 12 12 GLY C C 13 174.23 0.2 . 1 . . . . . . . . 5270 1 16 . 1 1 13 13 THR N N 15 119.10 0.2 . 1 . . . . . . . . 5270 1 17 . 1 1 13 13 THR H H 1 8.59 0.02 . 1 . . . . . . . . 5270 1 18 . 1 1 13 13 THR CA C 13 62.02 0.2 . 1 . . . . . . . . 5270 1 19 . 1 1 13 13 THR HA H 1 5.02 0.02 . 1 . . . . . . . . 5270 1 20 . 1 1 13 13 THR CB C 13 69.97 0.2 . 1 . . . . . . . . 5270 1 21 . 1 1 13 13 THR C C 13 172.96 0.2 . 1 . . . . . . . . 5270 1 22 . 1 1 14 14 LEU N N 15 126.14 0.2 . 1 . . . . . . . . 5270 1 23 . 1 1 14 14 LEU H H 1 9.00 0.02 . 1 . . . . . . . . 5270 1 24 . 1 1 14 14 LEU CA C 13 54.75 0.2 . 1 . . . . . . . . 5270 1 25 . 1 1 14 14 LEU HA H 1 5.07 0.02 . 1 . . . . . . . . 5270 1 26 . 1 1 14 14 LEU CB C 13 46.18 0.2 . 1 . . . . . . . . 5270 1 27 . 1 1 14 14 LEU C C 13 174.83 0.2 . 1 . . . . . . . . 5270 1 28 . 1 1 15 15 LEU N N 15 118.02 0.2 . 1 . . . . . . . . 5270 1 29 . 1 1 15 15 LEU H H 1 7.01 0.02 . 1 . . . . . . . . 5270 1 30 . 1 1 15 15 LEU CA C 13 52.61 0.2 . 1 . . . . . . . . 5270 1 31 . 1 1 15 15 LEU HA H 1 5.10 0.02 . 1 . . . . . . . . 5270 1 32 . 1 1 15 15 LEU CB C 13 47.02 0.2 . 1 . . . . . . . . 5270 1 33 . 1 1 15 15 LEU C C 13 174.37 0.2 . 1 . . . . . . . . 5270 1 34 . 1 1 16 16 ALA N N 15 122.44 0.2 . 1 . . . . . . . . 5270 1 35 . 1 1 16 16 ALA H H 1 8.66 0.02 . 1 . . . . . . . . 5270 1 36 . 1 1 16 16 ALA CA C 13 48.84 0.2 . 1 . . . . . . . . 5270 1 37 . 1 1 16 16 ALA HA H 1 5.71 0.02 . 1 . . . . . . . . 5270 1 38 . 1 1 16 16 ALA CB C 13 24.66 0.2 . 1 . . . . . . . . 5270 1 39 . 1 1 16 16 ALA C C 13 175.04 0.2 . 1 . . . . . . . . 5270 1 40 . 1 1 17 17 PHE N N 15 115.16 0.2 . 1 . . . . . . . . 5270 1 41 . 1 1 17 17 PHE H H 1 8.83 0.02 . 1 . . . . . . . . 5270 1 42 . 1 1 17 17 PHE CA C 13 54.92 0.2 . 1 . . . . . . . . 5270 1 43 . 1 1 17 17 PHE HA H 1 5.79 0.02 . 1 . . . . . . . . 5270 1 44 . 1 1 17 17 PHE CB C 13 43.66 0.2 . 1 . . . . . . . . 5270 1 45 . 1 1 17 17 PHE C C 13 174.12 0.2 . 1 . . . . . . . . 5270 1 46 . 1 1 18 18 ASP N N 15 121.03 0.2 . 1 . . . . . . . . 5270 1 47 . 1 1 18 18 ASP H H 1 8.56 0.02 . 1 . . . . . . . . 5270 1 48 . 1 1 18 18 ASP CA C 13 51.40 0.2 . 1 . . . . . . . . 5270 1 49 . 1 1 18 18 ASP HA H 1 5.11 0.02 . 1 . . . . . . . . 5270 1 50 . 1 1 18 18 ASP CB C 13 43.48 0.2 . 1 . . . . . . . . 5270 1 51 . 1 1 18 18 ASP C C 13 175.14 0.2 . 1 . . . . . . . . 5270 1 52 . 1 1 19 19 PHE N N 15 126.58 0.2 . 1 . . . . . . . . 5270 1 53 . 1 1 19 19 PHE H H 1 9.86 0.02 . 1 . . . . . . . . 5270 1 54 . 1 1 19 19 PHE CA C 13 60.89 0.2 . 1 . . . . . . . . 5270 1 55 . 1 1 19 19 PHE HA H 1 3.69 0.02 . 1 . . . . . . . . 5270 1 56 . 1 1 19 19 PHE CB C 13 39.47 0.2 . 1 . . . . . . . . 5270 1 57 . 1 1 19 19 PHE C C 13 173.43 0.2 . 1 . . . . . . . . 5270 1 58 . 1 1 20 20 GLY N N 15 114.56 0.2 . 1 . . . . . . . . 5270 1 59 . 1 1 20 20 GLY H H 1 5.99 0.02 . 1 . . . . . . . . 5270 1 60 . 1 1 20 20 GLY CA C 13 43.70 0.2 . 1 . . . . . . . . 5270 1 61 . 1 1 20 20 GLY C C 13 170.74 0.2 . 1 . . . . . . . . 5270 1 62 . 1 1 21 21 THR N N 15 106.40 0.2 . 1 . . . . . . . . 5270 1 63 . 1 1 21 21 THR H H 1 7.89 0.02 . 1 . . . . . . . . 5270 1 64 . 1 1 21 21 THR CA C 13 63.78 0.2 . 1 . . . . . . . . 5270 1 65 . 1 1 21 21 THR HA H 1 3.46 0.02 . 1 . . . . . . . . 5270 1 66 . 1 1 21 21 THR CB C 13 68.15 0.2 . 1 . . . . . . . . 5270 1 67 . 1 1 22 22 LYS CA C 13 55.98 0.2 . 1 . . . . . . . . 5270 1 68 . 1 1 22 22 LYS CB C 13 34.23 0.2 . 1 . . . . . . . . 5270 1 69 . 1 1 22 22 LYS C C 13 176.99 0.2 . 1 . . . . . . . . 5270 1 70 . 1 1 23 23 SER N N 15 114.30 0.2 . 1 . . . . . . . . 5270 1 71 . 1 1 23 23 SER H H 1 7.05 0.02 . 1 . . . . . . . . 5270 1 72 . 1 1 23 23 SER CA C 13 56.46 0.2 . 1 . . . . . . . . 5270 1 73 . 1 1 23 23 SER HA H 1 4.74 0.02 . 1 . . . . . . . . 5270 1 74 . 1 1 23 23 SER CB C 13 63.95 0.2 . 1 . . . . . . . . 5270 1 75 . 1 1 23 23 SER C C 13 171.86 0.2 . 1 . . . . . . . . 5270 1 76 . 1 1 24 24 ILE N N 15 125.48 0.2 . 1 . . . . . . . . 5270 1 77 . 1 1 24 24 ILE H H 1 9.07 0.02 . 1 . . . . . . . . 5270 1 78 . 1 1 24 24 ILE CA C 13 58.88 0.2 . 1 . . . . . . . . 5270 1 79 . 1 1 24 24 ILE HA H 1 4.49 0.02 . 1 . . . . . . . . 5270 1 80 . 1 1 24 24 ILE CB C 13 40.27 0.2 . 1 . . . . . . . . 5270 1 81 . 1 1 24 24 ILE C C 13 176.09 0.2 . 1 . . . . . . . . 5270 1 82 . 1 1 25 25 GLY N N 15 114.58 0.2 . 1 . . . . . . . . 5270 1 83 . 1 1 25 25 GLY H H 1 8.83 0.02 . 1 . . . . . . . . 5270 1 84 . 1 1 25 25 GLY CA C 13 45.38 0.2 . 1 . . . . . . . . 5270 1 85 . 1 1 25 25 GLY C C 13 173.23 0.2 . 1 . . . . . . . . 5270 1 86 . 1 1 26 26 VAL N N 15 120.75 0.2 . 1 . . . . . . . . 5270 1 87 . 1 1 26 26 VAL H H 1 8.76 0.02 . 1 . . . . . . . . 5270 1 88 . 1 1 26 26 VAL CA C 13 60.59 0.2 . 1 . . . . . . . . 5270 1 89 . 1 1 26 26 VAL HA H 1 5.01 0.02 . 1 . . . . . . . . 5270 1 90 . 1 1 26 26 VAL CB C 13 34.71 0.2 . 1 . . . . . . . . 5270 1 91 . 1 1 26 26 VAL C C 13 173.36 0.2 . 1 . . . . . . . . 5270 1 92 . 1 1 27 27 ALA N N 15 126.43 0.2 . 1 . . . . . . . . 5270 1 93 . 1 1 27 27 ALA H H 1 8.52 0.02 . 1 . . . . . . . . 5270 1 94 . 1 1 27 27 ALA CA C 13 49.78 0.2 . 1 . . . . . . . . 5270 1 95 . 1 1 27 27 ALA HA H 1 4.93 0.02 . 1 . . . . . . . . 5270 1 96 . 1 1 27 27 ALA CB C 13 23.59 0.2 . 1 . . . . . . . . 5270 1 97 . 1 1 27 27 ALA C C 13 173.95 0.2 . 1 . . . . . . . . 5270 1 98 . 1 1 28 28 VAL N N 15 116.35 0.2 . 1 . . . . . . . . 5270 1 99 . 1 1 28 28 VAL H H 1 8.42 0.02 . 1 . . . . . . . . 5270 1 100 . 1 1 28 28 VAL CA C 13 57.73 0.2 . 1 . . . . . . . . 5270 1 101 . 1 1 28 28 VAL HA H 1 5.00 0.02 . 1 . . . . . . . . 5270 1 102 . 1 1 28 28 VAL CB C 13 35.02 0.2 . 1 . . . . . . . . 5270 1 103 . 1 1 28 28 VAL C C 13 173.66 0.2 . 1 . . . . . . . . 5270 1 104 . 1 1 29 29 GLY N N 15 112.30 0.2 . 1 . . . . . . . . 5270 1 105 . 1 1 29 29 GLY H H 1 8.50 0.02 . 1 . . . . . . . . 5270 1 106 . 1 1 29 29 GLY CA C 13 45.44 0.2 . 1 . . . . . . . . 5270 1 107 . 1 1 29 29 GLY C C 13 171.40 0.2 . 1 . . . . . . . . 5270 1 108 . 1 1 30 30 GLN N N 15 118.14 0.2 . 1 . . . . . . . . 5270 1 109 . 1 1 30 30 GLN H H 1 8.03 0.02 . 1 . . . . . . . . 5270 1 110 . 1 1 30 30 GLN CA C 13 53.95 0.2 . 1 . . . . . . . . 5270 1 111 . 1 1 30 30 GLN HA H 1 5.25 0.02 . 1 . . . . . . . . 5270 1 112 . 1 1 30 30 GLN CB C 13 31.18 0.2 . 1 . . . . . . . . 5270 1 113 . 1 1 30 30 GLN C C 13 175.51 0.2 . 1 . . . . . . . . 5270 1 114 . 1 1 31 31 ARG N N 15 124.84 0.2 . 1 . . . . . . . . 5270 1 115 . 1 1 31 31 ARG H H 1 8.61 0.02 . 1 . . . . . . . . 5270 1 116 . 1 1 31 31 ARG CA C 13 59.11 0.2 . 1 . . . . . . . . 5270 1 117 . 1 1 31 31 ARG HA H 1 4.05 0.02 . 1 . . . . . . . . 5270 1 118 . 1 1 31 31 ARG CB C 13 30.22 0.2 . 1 . . . . . . . . 5270 1 119 . 1 1 31 31 ARG C C 13 178.21 0.2 . 1 . . . . . . . . 5270 1 120 . 1 1 32 32 ILE N N 15 115.16 0.2 . 1 . . . . . . . . 5270 1 121 . 1 1 32 32 ILE H H 1 8.48 0.02 . 1 . . . . . . . . 5270 1 122 . 1 1 32 32 ILE CA C 13 63.59 0.2 . 1 . . . . . . . . 5270 1 123 . 1 1 32 32 ILE HA H 1 3.95 0.02 . 1 . . . . . . . . 5270 1 124 . 1 1 32 32 ILE CB C 13 37.56 0.2 . 1 . . . . . . . . 5270 1 125 . 1 1 32 32 ILE C C 13 176.43 0.2 . 1 . . . . . . . . 5270 1 126 . 1 1 33 33 THR N N 15 107.56 0.2 . 1 . . . . . . . . 5270 1 127 . 1 1 33 33 THR H H 1 6.78 0.02 . 1 . . . . . . . . 5270 1 128 . 1 1 33 33 THR CA C 13 61.46 0.2 . 1 . . . . . . . . 5270 1 129 . 1 1 33 33 THR HA H 1 4.36 0.02 . 1 . . . . . . . . 5270 1 130 . 1 1 33 33 THR CB C 13 69.76 0.2 . 1 . . . . . . . . 5270 1 131 . 1 1 33 33 THR C C 13 176.23 0.2 . 1 . . . . . . . . 5270 1 132 . 1 1 34 34 GLY N N 15 111.27 0.2 . 1 . . . . . . . . 5270 1 133 . 1 1 34 34 GLY H H 1 7.83 0.02 . 1 . . . . . . . . 5270 1 134 . 1 1 34 34 GLY CA C 13 46.27 0.2 . 1 . . . . . . . . 5270 1 135 . 1 1 34 34 GLY C C 13 173.61 0.2 . 1 . . . . . . . . 5270 1 136 . 1 1 35 35 THR N N 15 110.26 0.2 . 1 . . . . . . . . 5270 1 137 . 1 1 35 35 THR H H 1 7.34 0.02 . 1 . . . . . . . . 5270 1 138 . 1 1 35 35 THR CA C 13 59.80 0.2 . 1 . . . . . . . . 5270 1 139 . 1 1 35 35 THR HA H 1 4.69 0.02 . 1 . . . . . . . . 5270 1 140 . 1 1 35 35 THR CB C 13 72.09 0.2 . 1 . . . . . . . . 5270 1 141 . 1 1 35 35 THR C C 13 172.97 0.2 . 1 . . . . . . . . 5270 1 142 . 1 1 36 36 ALA N N 15 125.29 0.2 . 1 . . . . . . . . 5270 1 143 . 1 1 36 36 ALA H H 1 9.41 0.02 . 1 . . . . . . . . 5270 1 144 . 1 1 36 36 ALA CA C 13 50.17 0.2 . 1 . . . . . . . . 5270 1 145 . 1 1 36 36 ALA HA H 1 5.32 0.02 . 1 . . . . . . . . 5270 1 146 . 1 1 36 36 ALA CB C 13 24.85 0.2 . 1 . . . . . . . . 5270 1 147 . 1 1 36 36 ALA C C 13 175.30 0.2 . 1 . . . . . . . . 5270 1 148 . 1 1 37 37 ARG N N 15 118.75 0.2 . 1 . . . . . . . . 5270 1 149 . 1 1 37 37 ARG H H 1 9.05 0.02 . 1 . . . . . . . . 5270 1 150 . 1 1 37 37 ARG CA C 13 52.34 0.2 . 1 . . . . . . . . 5270 1 151 . 1 1 37 37 ARG HA H 1 4.89 0.02 . 1 . . . . . . . . 5270 1 152 . 1 1 37 37 ARG CB C 13 31.55 0.2 . 1 . . . . . . . . 5270 1 153 . 1 1 38 38 PRO CA C 13 62.70 0.2 . 1 . . . . . . . . 5270 1 154 . 1 1 38 38 PRO HA H 1 4.52 0.02 . 1 . . . . . . . . 5270 1 155 . 1 1 38 38 PRO CB C 13 32.83 0.2 . 1 . . . . . . . . 5270 1 156 . 1 1 38 38 PRO C C 13 175.87 0.2 . 1 . . . . . . . . 5270 1 157 . 1 1 39 39 LEU N N 15 122.84 0.2 . 1 . . . . . . . . 5270 1 158 . 1 1 39 39 LEU H H 1 8.31 0.02 . 1 . . . . . . . . 5270 1 159 . 1 1 39 39 LEU CA C 13 51.93 0.2 . 1 . . . . . . . . 5270 1 160 . 1 1 39 39 LEU HA H 1 4.89 0.02 . 1 . . . . . . . . 5270 1 161 . 1 1 39 39 LEU CB C 13 41.34 0.2 . 1 . . . . . . . . 5270 1 162 . 1 1 40 40 PRO CA C 13 64.23 0.2 . 1 . . . . . . . . 5270 1 163 . 1 1 40 40 PRO CB C 13 31.62 0.2 . 1 . . . . . . . . 5270 1 164 . 1 1 40 40 PRO C C 13 175.34 0.2 . 1 . . . . . . . . 5270 1 165 . 1 1 41 41 ALA N N 15 124.23 0.2 . 1 . . . . . . . . 5270 1 166 . 1 1 41 41 ALA H H 1 8.12 0.02 . 1 . . . . . . . . 5270 1 167 . 1 1 41 41 ALA CA C 13 52.04 0.2 . 1 . . . . . . . . 5270 1 168 . 1 1 41 41 ALA HA H 1 4.39 0.02 . 1 . . . . . . . . 5270 1 169 . 1 1 41 41 ALA CB C 13 19.00 0.2 . 1 . . . . . . . . 5270 1 170 . 1 1 41 41 ALA C C 13 177.93 0.2 . 1 . . . . . . . . 5270 1 171 . 1 1 42 42 ILE N N 15 121.00 0.2 . 1 . . . . . . . . 5270 1 172 . 1 1 42 42 ILE H H 1 8.88 0.02 . 1 . . . . . . . . 5270 1 173 . 1 1 42 42 ILE CA C 13 60.04 0.2 . 1 . . . . . . . . 5270 1 174 . 1 1 42 42 ILE HA H 1 4.18 0.02 . 1 . . . . . . . . 5270 1 175 . 1 1 42 42 ILE CB C 13 40.46 0.2 . 1 . . . . . . . . 5270 1 176 . 1 1 42 42 ILE C C 13 175.56 0.2 . 1 . . . . . . . . 5270 1 177 . 1 1 43 43 LYS N N 15 127.05 0.2 . 1 . . . . . . . . 5270 1 178 . 1 1 43 43 LYS H H 1 8.58 0.02 . 1 . . . . . . . . 5270 1 179 . 1 1 43 43 LYS CA C 13 57.28 0.2 . 1 . . . . . . . . 5270 1 180 . 1 1 43 43 LYS HA H 1 4.07 0.02 . 1 . . . . . . . . 5270 1 181 . 1 1 43 43 LYS CB C 13 32.53 0.2 . 1 . . . . . . . . 5270 1 182 . 1 1 43 43 LYS C C 13 175.08 0.2 . 1 . . . . . . . . 5270 1 183 . 1 1 44 44 ALA N N 15 124.09 0.2 . 1 . . . . . . . . 5270 1 184 . 1 1 44 44 ALA H H 1 7.51 0.02 . 1 . . . . . . . . 5270 1 185 . 1 1 44 44 ALA CA C 13 49.83 0.2 . 1 . . . . . . . . 5270 1 186 . 1 1 44 44 ALA HA H 1 4.48 0.02 . 1 . . . . . . . . 5270 1 187 . 1 1 44 44 ALA CB C 13 20.85 0.2 . 1 . . . . . . . . 5270 1 188 . 1 1 44 44 ALA C C 13 174.90 0.2 . 1 . . . . . . . . 5270 1 189 . 1 1 45 45 GLN N N 15 118.55 0.2 . 1 . . . . . . . . 5270 1 190 . 1 1 45 45 GLN H H 1 7.94 0.02 . 1 . . . . . . . . 5270 1 191 . 1 1 45 45 GLN CA C 13 54.70 0.2 . 1 . . . . . . . . 5270 1 192 . 1 1 45 45 GLN HA H 1 4.49 0.02 . 1 . . . . . . . . 5270 1 193 . 1 1 45 45 GLN CB C 13 29.83 0.2 . 1 . . . . . . . . 5270 1 194 . 1 1 46 46 ASP CA C 13 55.38 0.2 . 1 . . . . . . . . 5270 1 195 . 1 1 46 46 ASP CB C 13 39.88 0.2 . 1 . . . . . . . . 5270 1 196 . 1 1 46 46 ASP C C 13 176.75 0.2 . 1 . . . . . . . . 5270 1 197 . 1 1 47 47 GLY N N 15 106.41 0.2 . 1 . . . . . . . . 5270 1 198 . 1 1 47 47 GLY H H 1 8.82 0.02 . 1 . . . . . . . . 5270 1 199 . 1 1 47 47 GLY CA C 13 45.13 0.2 . 1 . . . . . . . . 5270 1 200 . 1 1 47 47 GLY C C 13 173.03 0.2 . 1 . . . . . . . . 5270 1 201 . 1 1 48 48 THR N N 15 117.35 0.2 . 1 . . . . . . . . 5270 1 202 . 1 1 48 48 THR H H 1 7.81 0.02 . 1 . . . . . . . . 5270 1 203 . 1 1 48 48 THR CA C 13 59.47 0.2 . 1 . . . . . . . . 5270 1 204 . 1 1 48 48 THR HA H 1 4.69 0.02 . 1 . . . . . . . . 5270 1 205 . 1 1 48 48 THR CB C 13 69.51 0.2 . 1 . . . . . . . . 5270 1 206 . 1 1 49 49 PRO CA C 13 61.06 0.2 . 1 . . . . . . . . 5270 1 207 . 1 1 49 49 PRO HA H 1 4.59 0.02 . 1 . . . . . . . . 5270 1 208 . 1 1 49 49 PRO CB C 13 32.41 0.2 . 1 . . . . . . . . 5270 1 209 . 1 1 49 49 PRO C C 13 173.77 0.2 . 1 . . . . . . . . 5270 1 210 . 1 1 50 50 ASP N N 15 115.77 0.2 . 1 . . . . . . . . 5270 1 211 . 1 1 50 50 ASP H H 1 7.45 0.02 . 1 . . . . . . . . 5270 1 212 . 1 1 50 50 ASP CA C 13 53.26 0.2 . 1 . . . . . . . . 5270 1 213 . 1 1 50 50 ASP HA H 1 4.57 0.02 . 1 . . . . . . . . 5270 1 214 . 1 1 50 50 ASP CB C 13 39.58 0.2 . 1 . . . . . . . . 5270 1 215 . 1 1 50 50 ASP C C 13 177.56 0.2 . 1 . . . . . . . . 5270 1 216 . 1 1 51 51 TRP N N 15 128.24 0.2 . 1 . . . . . . . . 5270 1 217 . 1 1 51 51 TRP H H 1 8.05 0.02 . 1 . . . . . . . . 5270 1 218 . 1 1 51 51 TRP CA C 13 59.87 0.2 . 1 . . . . . . . . 5270 1 219 . 1 1 51 51 TRP HA H 1 4.36 0.02 . 1 . . . . . . . . 5270 1 220 . 1 1 51 51 TRP CB C 13 29.40 0.2 . 1 . . . . . . . . 5270 1 221 . 1 1 51 51 TRP C C 13 178.21 0.2 . 1 . . . . . . . . 5270 1 222 . 1 1 52 52 ASN N N 15 117.37 0.2 . 1 . . . . . . . . 5270 1 223 . 1 1 52 52 ASN H H 1 8.72 0.02 . 1 . . . . . . . . 5270 1 224 . 1 1 52 52 ASN CA C 13 56.50 0.2 . 1 . . . . . . . . 5270 1 225 . 1 1 52 52 ASN HA H 1 4.64 0.02 . 1 . . . . . . . . 5270 1 226 . 1 1 52 52 ASN CB C 13 37.83 0.2 . 1 . . . . . . . . 5270 1 227 . 1 1 52 52 ASN C C 13 178.46 0.2 . 1 . . . . . . . . 5270 1 228 . 1 1 53 53 ILE N N 15 120.93 0.2 . 1 . . . . . . . . 5270 1 229 . 1 1 53 53 ILE H H 1 7.64 0.02 . 1 . . . . . . . . 5270 1 230 . 1 1 53 53 ILE CA C 13 64.17 0.2 . 1 . . . . . . . . 5270 1 231 . 1 1 53 53 ILE HA H 1 3.74 0.02 . 1 . . . . . . . . 5270 1 232 . 1 1 53 53 ILE CB C 13 37.24 0.2 . 1 . . . . . . . . 5270 1 233 . 1 1 53 53 ILE C C 13 178.37 0.2 . 1 . . . . . . . . 5270 1 234 . 1 1 54 54 ILE N N 15 118.65 0.2 . 1 . . . . . . . . 5270 1 235 . 1 1 54 54 ILE H H 1 6.98 0.02 . 1 . . . . . . . . 5270 1 236 . 1 1 54 54 ILE CA C 13 65.24 0.2 . 1 . . . . . . . . 5270 1 237 . 1 1 54 54 ILE HA H 1 3.69 0.02 . 1 . . . . . . . . 5270 1 238 . 1 1 54 54 ILE CB C 13 36.79 0.2 . 1 . . . . . . . . 5270 1 239 . 1 1 54 54 ILE C C 13 176.67 0.2 . 1 . . . . . . . . 5270 1 240 . 1 1 55 55 GLU N N 15 119.76 0.2 . 1 . . . . . . . . 5270 1 241 . 1 1 55 55 GLU H H 1 8.47 0.02 . 1 . . . . . . . . 5270 1 242 . 1 1 55 55 GLU CA C 13 60.05 0.2 . 1 . . . . . . . . 5270 1 243 . 1 1 55 55 GLU HA H 1 3.41 0.02 . 1 . . . . . . . . 5270 1 244 . 1 1 55 55 GLU CB C 13 29.57 0.2 . 1 . . . . . . . . 5270 1 245 . 1 1 55 55 GLU C C 13 178.32 0.2 . 1 . . . . . . . . 5270 1 246 . 1 1 56 56 ARG N N 15 118.01 0.2 . 1 . . . . . . . . 5270 1 247 . 1 1 56 56 ARG H H 1 7.68 0.02 . 1 . . . . . . . . 5270 1 248 . 1 1 56 56 ARG CA C 13 59.60 0.2 . 1 . . . . . . . . 5270 1 249 . 1 1 56 56 ARG HA H 1 4.00 0.02 . 1 . . . . . . . . 5270 1 250 . 1 1 56 56 ARG CB C 13 29.61 0.2 . 1 . . . . . . . . 5270 1 251 . 1 1 56 56 ARG C C 13 179.05 0.2 . 1 . . . . . . . . 5270 1 252 . 1 1 57 57 LEU N N 15 120.83 0.2 . 1 . . . . . . . . 5270 1 253 . 1 1 57 57 LEU H H 1 8.10 0.02 . 1 . . . . . . . . 5270 1 254 . 1 1 57 57 LEU CA C 13 58.17 0.2 . 1 . . . . . . . . 5270 1 255 . 1 1 57 57 LEU HA H 1 4.38 0.02 . 1 . . . . . . . . 5270 1 256 . 1 1 57 57 LEU CB C 13 42.87 0.2 . 1 . . . . . . . . 5270 1 257 . 1 1 57 57 LEU C C 13 179.37 0.2 . 1 . . . . . . . . 5270 1 258 . 1 1 58 58 LEU N N 15 118.91 0.2 . 1 . . . . . . . . 5270 1 259 . 1 1 58 58 LEU H H 1 8.11 0.02 . 1 . . . . . . . . 5270 1 260 . 1 1 58 58 LEU CA C 13 57.91 0.2 . 1 . . . . . . . . 5270 1 261 . 1 1 58 58 LEU HA H 1 3.76 0.02 . 1 . . . . . . . . 5270 1 262 . 1 1 58 58 LEU CB C 13 39.16 0.2 . 1 . . . . . . . . 5270 1 263 . 1 1 58 58 LEU C C 13 180.64 0.2 . 1 . . . . . . . . 5270 1 264 . 1 1 59 59 LYS N N 15 120.18 0.2 . 1 . . . . . . . . 5270 1 265 . 1 1 59 59 LYS H H 1 8.00 0.02 . 1 . . . . . . . . 5270 1 266 . 1 1 59 59 LYS CA C 13 58.98 0.2 . 1 . . . . . . . . 5270 1 267 . 1 1 59 59 LYS CB C 13 32.66 0.2 . 1 . . . . . . . . 5270 1 268 . 1 1 59 59 LYS C C 13 178.34 0.2 . 1 . . . . . . . . 5270 1 269 . 1 1 60 60 GLU N N 15 118.29 0.2 . 1 . . . . . . . . 5270 1 270 . 1 1 60 60 GLU H H 1 8.16 0.02 . 1 . . . . . . . . 5270 1 271 . 1 1 60 60 GLU CA C 13 58.96 0.2 . 1 . . . . . . . . 5270 1 272 . 1 1 60 60 GLU HA H 1 3.82 0.02 . 1 . . . . . . . . 5270 1 273 . 1 1 60 60 GLU CB C 13 30.27 0.2 . 1 . . . . . . . . 5270 1 274 . 1 1 60 60 GLU C C 13 178.34 0.2 . 1 . . . . . . . . 5270 1 275 . 1 1 61 61 TRP N N 15 115.16 0.2 . 1 . . . . . . . . 5270 1 276 . 1 1 61 61 TRP H H 1 7.94 0.02 . 1 . . . . . . . . 5270 1 277 . 1 1 61 61 TRP CA C 13 57.90 0.2 . 1 . . . . . . . . 5270 1 278 . 1 1 61 61 TRP HA H 1 4.56 0.02 . 1 . . . . . . . . 5270 1 279 . 1 1 61 61 TRP CB C 13 30.51 0.2 . 1 . . . . . . . . 5270 1 280 . 1 1 61 61 TRP C C 13 175.41 0.2 . 1 . . . . . . . . 5270 1 281 . 1 1 62 62 GLN N N 15 113.76 0.2 . 1 . . . . . . . . 5270 1 282 . 1 1 62 62 GLN H H 1 8.00 0.02 . 1 . . . . . . . . 5270 1 283 . 1 1 62 62 GLN CA C 13 55.43 0.2 . 1 . . . . . . . . 5270 1 284 . 1 1 62 62 GLN HA H 1 4.12 0.02 . 1 . . . . . . . . 5270 1 285 . 1 1 62 62 GLN CB C 13 27.82 0.2 . 1 . . . . . . . . 5270 1 286 . 1 1 63 63 PRO CA C 13 62.41 0.2 . 1 . . . . . . . . 5270 1 287 . 1 1 63 63 PRO HA H 1 4.43 0.02 . 1 . . . . . . . . 5270 1 288 . 1 1 63 63 PRO CB C 13 32.80 0.2 . 1 . . . . . . . . 5270 1 289 . 1 1 63 63 PRO C C 13 176.98 0.2 . 1 . . . . . . . . 5270 1 290 . 1 1 64 64 ASP N N 15 120.23 0.2 . 1 . . . . . . . . 5270 1 291 . 1 1 64 64 ASP H H 1 9.15 0.02 . 1 . . . . . . . . 5270 1 292 . 1 1 64 64 ASP CA C 13 56.45 0.2 . 1 . . . . . . . . 5270 1 293 . 1 1 64 64 ASP HA H 1 4.56 0.02 . 1 . . . . . . . . 5270 1 294 . 1 1 64 64 ASP CB C 13 41.94 0.2 . 1 . . . . . . . . 5270 1 295 . 1 1 64 64 ASP C C 13 176.77 0.2 . 1 . . . . . . . . 5270 1 296 . 1 1 65 65 GLU N N 15 111.98 0.2 . 1 . . . . . . . . 5270 1 297 . 1 1 65 65 GLU H H 1 7.30 0.02 . 1 . . . . . . . . 5270 1 298 . 1 1 65 65 GLU CA C 13 54.35 0.2 . 1 . . . . . . . . 5270 1 299 . 1 1 65 65 GLU HA H 1 4.67 0.02 . 1 . . . . . . . . 5270 1 300 . 1 1 65 65 GLU CB C 13 33.79 0.2 . 1 . . . . . . . . 5270 1 301 . 1 1 65 65 GLU C C 13 173.62 0.2 . 1 . . . . . . . . 5270 1 302 . 1 1 66 66 ILE N N 15 120.55 0.2 . 1 . . . . . . . . 5270 1 303 . 1 1 66 66 ILE H H 1 8.49 0.02 . 1 . . . . . . . . 5270 1 304 . 1 1 66 66 ILE CA C 13 58.59 0.2 . 1 . . . . . . . . 5270 1 305 . 1 1 66 66 ILE HA H 1 4.93 0.02 . 1 . . . . . . . . 5270 1 306 . 1 1 66 66 ILE CB C 13 40.09 0.2 . 1 . . . . . . . . 5270 1 307 . 1 1 66 66 ILE C C 13 173.31 0.2 . 1 . . . . . . . . 5270 1 308 . 1 1 67 67 ILE N N 15 127.04 0.2 . 1 . . . . . . . . 5270 1 309 . 1 1 67 67 ILE H H 1 8.92 0.02 . 1 . . . . . . . . 5270 1 310 . 1 1 67 67 ILE CA C 13 57.79 0.2 . 1 . . . . . . . . 5270 1 311 . 1 1 67 67 ILE HA H 1 4.86 0.02 . 1 . . . . . . . . 5270 1 312 . 1 1 67 67 ILE CB C 13 37.93 0.2 . 1 . . . . . . . . 5270 1 313 . 1 1 67 67 ILE C C 13 175.06 0.2 . 1 . . . . . . . . 5270 1 314 . 1 1 68 68 VAL N N 15 126.60 0.2 . 1 . . . . . . . . 5270 1 315 . 1 1 68 68 VAL H H 1 8.91 0.02 . 1 . . . . . . . . 5270 1 316 . 1 1 68 68 VAL CA C 13 60.17 0.2 . 1 . . . . . . . . 5270 1 317 . 1 1 68 68 VAL HA H 1 5.11 0.02 . 1 . . . . . . . . 5270 1 318 . 1 1 68 68 VAL CB C 13 34.70 0.2 . 1 . . . . . . . . 5270 1 319 . 1 1 68 68 VAL C C 13 176.42 0.2 . 1 . . . . . . . . 5270 1 320 . 1 1 69 69 GLY N N 15 113.05 0.2 . 1 . . . . . . . . 5270 1 321 . 1 1 69 69 GLY H H 1 8.33 0.02 . 1 . . . . . . . . 5270 1 322 . 1 1 69 69 GLY CA C 13 46.06 0.2 . 1 . . . . . . . . 5270 1 323 . 1 1 69 69 GLY C C 13 172.50 0.2 . 1 . . . . . . . . 5270 1 324 . 1 1 70 70 LEU N N 15 125.73 0.2 . 1 . . . . . . . . 5270 1 325 . 1 1 70 70 LEU H H 1 8.51 0.02 . 1 . . . . . . . . 5270 1 326 . 1 1 70 70 LEU CA C 13 50.52 0.2 . 1 . . . . . . . . 5270 1 327 . 1 1 70 70 LEU HA H 1 5.03 0.02 . 1 . . . . . . . . 5270 1 328 . 1 1 70 70 LEU CB C 13 43.70 0.2 . 1 . . . . . . . . 5270 1 329 . 1 1 71 71 PRO CA C 13 62.34 0.2 . 1 . . . . . . . . 5270 1 330 . 1 1 71 71 PRO HA H 1 4.17 0.02 . 1 . . . . . . . . 5270 1 331 . 1 1 71 71 PRO CB C 13 31.45 0.2 . 1 . . . . . . . . 5270 1 332 . 1 1 71 71 PRO C C 13 176.04 0.2 . 1 . . . . . . . . 5270 1 333 . 1 1 72 72 LEU N N 15 123.76 0.2 . 1 . . . . . . . . 5270 1 334 . 1 1 72 72 LEU H H 1 7.90 0.02 . 1 . . . . . . . . 5270 1 335 . 1 1 72 72 LEU CA C 13 54.03 0.2 . 1 . . . . . . . . 5270 1 336 . 1 1 72 72 LEU HA H 1 4.55 0.02 . 1 . . . . . . . . 5270 1 337 . 1 1 72 72 LEU CB C 13 47.54 0.2 . 1 . . . . . . . . 5270 1 338 . 1 1 72 72 LEU C C 13 177.08 0.2 . 1 . . . . . . . . 5270 1 339 . 1 1 73 73 ASN N N 15 116.56 0.2 . 1 . . . . . . . . 5270 1 340 . 1 1 73 73 ASN H H 1 8.60 0.02 . 1 . . . . . . . . 5270 1 341 . 1 1 73 73 ASN CA C 13 53.51 0.2 . 1 . . . . . . . . 5270 1 342 . 1 1 73 73 ASN HA H 1 4.78 0.02 . 1 . . . . . . . . 5270 1 343 . 1 1 73 73 ASN CB C 13 39.14 0.2 . 1 . . . . . . . . 5270 1 344 . 1 1 74 74 MET CA C 13 58.31 0.2 . 1 . . . . . . . . 5270 1 345 . 1 1 74 74 MET HA H 1 4.13 0.02 . 1 . . . . . . . . 5270 1 346 . 1 1 74 74 MET CB C 13 31.61 0.2 . 1 . . . . . . . . 5270 1 347 . 1 1 74 74 MET C C 13 176.97 0.2 . 1 . . . . . . . . 5270 1 348 . 1 1 75 75 ASP N N 15 115.79 0.2 . 1 . . . . . . . . 5270 1 349 . 1 1 75 75 ASP H H 1 7.81 0.02 . 1 . . . . . . . . 5270 1 350 . 1 1 75 75 ASP CA C 13 53.06 0.2 . 1 . . . . . . . . 5270 1 351 . 1 1 75 75 ASP HA H 1 4.47 0.02 . 1 . . . . . . . . 5270 1 352 . 1 1 75 75 ASP CB C 13 39.67 0.2 . 1 . . . . . . . . 5270 1 353 . 1 1 75 75 ASP C C 13 177.23 0.2 . 1 . . . . . . . . 5270 1 354 . 1 1 76 76 GLY N N 15 108.28 0.2 . 1 . . . . . . . . 5270 1 355 . 1 1 76 76 GLY H H 1 8.21 0.02 . 1 . . . . . . . . 5270 1 356 . 1 1 76 76 GLY CA C 13 45.13 0.2 . 1 . . . . . . . . 5270 1 357 . 1 1 76 76 GLY C C 13 174.14 0.2 . 1 . . . . . . . . 5270 1 358 . 1 1 77 77 THR N N 15 110.96 0.2 . 1 . . . . . . . . 5270 1 359 . 1 1 77 77 THR H H 1 7.87 0.02 . 1 . . . . . . . . 5270 1 360 . 1 1 77 77 THR CA C 13 61.39 0.2 . 1 . . . . . . . . 5270 1 361 . 1 1 77 77 THR HA H 1 4.35 0.02 . 1 . . . . . . . . 5270 1 362 . 1 1 77 77 THR CB C 13 71.23 0.2 . 1 . . . . . . . . 5270 1 363 . 1 1 77 77 THR C C 13 174.15 0.2 . 1 . . . . . . . . 5270 1 364 . 1 1 78 78 GLU N N 15 117.75 0.2 . 1 . . . . . . . . 5270 1 365 . 1 1 78 78 GLU H H 1 8.44 0.02 . 1 . . . . . . . . 5270 1 366 . 1 1 78 78 GLU CA C 13 57.32 0.2 . 1 . . . . . . . . 5270 1 367 . 1 1 78 78 GLU HA H 1 4.22 0.02 . 1 . . . . . . . . 5270 1 368 . 1 1 78 78 GLU CB C 13 30.12 0.2 . 1 . . . . . . . . 5270 1 369 . 1 1 78 78 GLU C C 13 176.27 0.2 . 1 . . . . . . . . 5270 1 370 . 1 1 79 79 GLN N N 15 118.83 0.2 . 1 . . . . . . . . 5270 1 371 . 1 1 79 79 GLN H H 1 8.71 0.02 . 1 . . . . . . . . 5270 1 372 . 1 1 79 79 GLN CA C 13 53.68 0.2 . 1 . . . . . . . . 5270 1 373 . 1 1 79 79 GLN HA H 1 4.93 0.02 . 1 . . . . . . . . 5270 1 374 . 1 1 79 79 GLN CB C 13 28.80 0.2 . 1 . . . . . . . . 5270 1 375 . 1 1 80 80 PRO CA C 13 66.45 0.2 . 1 . . . . . . . . 5270 1 376 . 1 1 80 80 PRO HA H 1 4.32 0.02 . 1 . . . . . . . . 5270 1 377 . 1 1 80 80 PRO CB C 13 32.12 0.2 . 1 . . . . . . . . 5270 1 378 . 1 1 80 80 PRO C C 13 178.68 0.2 . 1 . . . . . . . . 5270 1 379 . 1 1 81 81 LEU N N 15 112.63 0.2 . 1 . . . . . . . . 5270 1 380 . 1 1 81 81 LEU H H 1 8.11 0.02 . 1 . . . . . . . . 5270 1 381 . 1 1 81 81 LEU CA C 13 55.92 0.2 . 1 . . . . . . . . 5270 1 382 . 1 1 81 81 LEU HA H 1 4.28 0.02 . 1 . . . . . . . . 5270 1 383 . 1 1 81 81 LEU CB C 13 42.29 0.2 . 1 . . . . . . . . 5270 1 384 . 1 1 81 81 LEU C C 13 177.86 0.2 . 1 . . . . . . . . 5270 1 385 . 1 1 82 82 THR N N 15 117.94 0.2 . 1 . . . . . . . . 5270 1 386 . 1 1 82 82 THR H H 1 8.14 0.02 . 1 . . . . . . . . 5270 1 387 . 1 1 82 82 THR CA C 13 68.51 0.2 . 1 . . . . . . . . 5270 1 388 . 1 1 82 82 THR HA H 1 4.22 0.02 . 1 . . . . . . . . 5270 1 389 . 1 1 82 82 THR CB C 13 68.86 0.2 . 1 . . . . . . . . 5270 1 390 . 1 1 82 82 THR C C 13 175.91 0.2 . 1 . . . . . . . . 5270 1 391 . 1 1 83 83 ALA N N 15 121.11 0.2 . 1 . . . . . . . . 5270 1 392 . 1 1 83 83 ALA H H 1 8.46 0.02 . 1 . . . . . . . . 5270 1 393 . 1 1 83 83 ALA CA C 13 55.05 0.2 . 1 . . . . . . . . 5270 1 394 . 1 1 83 83 ALA HA H 1 4.03 0.02 . 1 . . . . . . . . 5270 1 395 . 1 1 83 83 ALA CB C 13 18.17 0.2 . 1 . . . . . . . . 5270 1 396 . 1 1 83 83 ALA C C 13 181.00 0.2 . 1 . . . . . . . . 5270 1 397 . 1 1 84 84 ARG N N 15 117.22 0.2 . 1 . . . . . . . . 5270 1 398 . 1 1 84 84 ARG H H 1 7.43 0.02 . 1 . . . . . . . . 5270 1 399 . 1 1 84 84 ARG CA C 13 58.46 0.2 . 1 . . . . . . . . 5270 1 400 . 1 1 84 84 ARG HA H 1 3.88 0.02 . 1 . . . . . . . . 5270 1 401 . 1 1 84 84 ARG CB C 13 30.17 0.2 . 1 . . . . . . . . 5270 1 402 . 1 1 84 84 ARG C C 13 178.29 0.2 . 1 . . . . . . . . 5270 1 403 . 1 1 85 85 ALA N N 15 125.33 0.2 . 1 . . . . . . . . 5270 1 404 . 1 1 85 85 ALA H H 1 8.22 0.02 . 1 . . . . . . . . 5270 1 405 . 1 1 85 85 ALA CA C 13 55.23 0.2 . 1 . . . . . . . . 5270 1 406 . 1 1 85 85 ALA HA H 1 3.35 0.02 . 1 . . . . . . . . 5270 1 407 . 1 1 85 85 ALA CB C 13 17.64 0.2 . 1 . . . . . . . . 5270 1 408 . 1 1 85 85 ALA C C 13 179.17 0.2 . 1 . . . . . . . . 5270 1 409 . 1 1 86 86 ARG N N 15 116.03 0.2 . 1 . . . . . . . . 5270 1 410 . 1 1 86 86 ARG H H 1 7.89 0.02 . 1 . . . . . . . . 5270 1 411 . 1 1 86 86 ARG CA C 13 60.05 0.2 . 1 . . . . . . . . 5270 1 412 . 1 1 86 86 ARG HA H 1 3.88 0.02 . 1 . . . . . . . . 5270 1 413 . 1 1 86 86 ARG CB C 13 29.92 0.2 . 1 . . . . . . . . 5270 1 414 . 1 1 86 86 ARG C C 13 178.95 0.2 . 1 . . . . . . . . 5270 1 415 . 1 1 87 87 LYS N N 15 119.53 0.2 . 1 . . . . . . . . 5270 1 416 . 1 1 87 87 LYS H H 1 7.79 0.02 . 1 . . . . . . . . 5270 1 417 . 1 1 87 87 LYS CA C 13 59.39 0.2 . 1 . . . . . . . . 5270 1 418 . 1 1 87 87 LYS HA H 1 4.07 0.02 . 1 . . . . . . . . 5270 1 419 . 1 1 87 87 LYS CB C 13 31.95 0.2 . 1 . . . . . . . . 5270 1 420 . 1 1 87 87 LYS C C 13 178.50 0.2 . 1 . . . . . . . . 5270 1 421 . 1 1 88 88 PHE N N 15 121.38 0.2 . 1 . . . . . . . . 5270 1 422 . 1 1 88 88 PHE H H 1 7.90 0.02 . 1 . . . . . . . . 5270 1 423 . 1 1 88 88 PHE CA C 13 60.56 0.2 . 1 . . . . . . . . 5270 1 424 . 1 1 88 88 PHE HA H 1 4.42 0.02 . 1 . . . . . . . . 5270 1 425 . 1 1 88 88 PHE CB C 13 39.07 0.2 . 1 . . . . . . . . 5270 1 426 . 1 1 88 88 PHE C C 13 179.05 0.2 . 1 . . . . . . . . 5270 1 427 . 1 1 89 89 ALA N N 15 120.40 0.2 . 1 . . . . . . . . 5270 1 428 . 1 1 89 89 ALA H H 1 8.11 0.02 . 1 . . . . . . . . 5270 1 429 . 1 1 89 89 ALA CA C 13 55.36 0.2 . 1 . . . . . . . . 5270 1 430 . 1 1 89 89 ALA HA H 1 3.71 0.02 . 1 . . . . . . . . 5270 1 431 . 1 1 89 89 ALA CB C 13 18.60 0.2 . 1 . . . . . . . . 5270 1 432 . 1 1 89 89 ALA C C 13 179.08 0.2 . 1 . . . . . . . . 5270 1 433 . 1 1 90 90 ASN N N 15 115.51 0.2 . 1 . . . . . . . . 5270 1 434 . 1 1 90 90 ASN H H 1 7.97 0.02 . 1 . . . . . . . . 5270 1 435 . 1 1 90 90 ASN CA C 13 55.89 0.2 . 1 . . . . . . . . 5270 1 436 . 1 1 90 90 ASN HA H 1 4.44 0.02 . 1 . . . . . . . . 5270 1 437 . 1 1 90 90 ASN CB C 13 38.56 0.2 . 1 . . . . . . . . 5270 1 438 . 1 1 90 90 ASN C C 13 178.59 0.2 . 1 . . . . . . . . 5270 1 439 . 1 1 91 91 ARG N N 15 122.30 0.2 . 1 . . . . . . . . 5270 1 440 . 1 1 91 91 ARG H H 1 8.58 0.02 . 1 . . . . . . . . 5270 1 441 . 1 1 91 91 ARG CA C 13 58.58 0.2 . 1 . . . . . . . . 5270 1 442 . 1 1 91 91 ARG HA H 1 4.03 0.02 . 1 . . . . . . . . 5270 1 443 . 1 1 91 91 ARG CB C 13 30.12 0.2 . 1 . . . . . . . . 5270 1 444 . 1 1 91 91 ARG C C 13 178.96 0.2 . 1 . . . . . . . . 5270 1 445 . 1 1 92 92 ILE N N 15 119.63 0.2 . 1 . . . . . . . . 5270 1 446 . 1 1 92 92 ILE H H 1 8.13 0.02 . 1 . . . . . . . . 5270 1 447 . 1 1 92 92 ILE CA C 13 65.06 0.2 . 1 . . . . . . . . 5270 1 448 . 1 1 92 92 ILE HA H 1 3.65 0.02 . 1 . . . . . . . . 5270 1 449 . 1 1 92 92 ILE CB C 13 37.31 0.2 . 1 . . . . . . . . 5270 1 450 . 1 1 92 92 ILE C C 13 178.03 0.2 . 1 . . . . . . . . 5270 1 451 . 1 1 93 93 HIS N N 15 119.16 0.2 . 1 . . . . . . . . 5270 1 452 . 1 1 93 93 HIS H H 1 7.78 0.02 . 1 . . . . . . . . 5270 1 453 . 1 1 93 93 HIS CA C 13 59.94 0.2 . 1 . . . . . . . . 5270 1 454 . 1 1 93 93 HIS HA H 1 4.32 0.02 . 1 . . . . . . . . 5270 1 455 . 1 1 93 93 HIS CB C 13 29.60 0.2 . 1 . . . . . . . . 5270 1 456 . 1 1 93 93 HIS C C 13 178.78 0.2 . 1 . . . . . . . . 5270 1 457 . 1 1 94 94 GLY N N 15 106.23 0.2 . 1 . . . . . . . . 5270 1 458 . 1 1 94 94 GLY H H 1 8.54 0.02 . 1 . . . . . . . . 5270 1 459 . 1 1 94 94 GLY CA C 13 46.48 0.2 . 1 . . . . . . . . 5270 1 460 . 1 1 94 94 GLY C C 13 175.16 0.2 . 1 . . . . . . . . 5270 1 461 . 1 1 95 95 ARG N N 15 118.28 0.2 . 1 . . . . . . . . 5270 1 462 . 1 1 95 95 ARG H H 1 7.79 0.02 . 1 . . . . . . . . 5270 1 463 . 1 1 95 95 ARG CA C 13 57.74 0.2 . 1 . . . . . . . . 5270 1 464 . 1 1 95 95 ARG HA H 1 3.72 0.02 . 1 . . . . . . . . 5270 1 465 . 1 1 95 95 ARG CB C 13 30.22 0.2 . 1 . . . . . . . . 5270 1 466 . 1 1 95 95 ARG C C 13 177.97 0.2 . 1 . . . . . . . . 5270 1 467 . 1 1 96 96 PHE N N 15 112.17 0.2 . 1 . . . . . . . . 5270 1 468 . 1 1 96 96 PHE H H 1 7.55 0.02 . 1 . . . . . . . . 5270 1 469 . 1 1 96 96 PHE CA C 13 57.53 0.2 . 1 . . . . . . . . 5270 1 470 . 1 1 96 96 PHE HA H 1 4.87 0.02 . 1 . . . . . . . . 5270 1 471 . 1 1 96 96 PHE CB C 13 40.50 0.2 . 1 . . . . . . . . 5270 1 472 . 1 1 96 96 PHE C C 13 176.96 0.2 . 1 . . . . . . . . 5270 1 473 . 1 1 97 97 GLY N N 15 109.28 0.2 . 1 . . . . . . . . 5270 1 474 . 1 1 97 97 GLY H H 1 8.06 0.02 . 1 . . . . . . . . 5270 1 475 . 1 1 97 97 GLY CA C 13 46.48 0.2 . 1 . . . . . . . . 5270 1 476 . 1 1 97 97 GLY C C 13 173.56 0.2 . 1 . . . . . . . . 5270 1 477 . 1 1 98 98 VAL N N 15 115.04 0.2 . 1 . . . . . . . . 5270 1 478 . 1 1 98 98 VAL H H 1 6.57 0.02 . 1 . . . . . . . . 5270 1 479 . 1 1 98 98 VAL CA C 13 59.32 0.2 . 1 . . . . . . . . 5270 1 480 . 1 1 98 98 VAL HA H 1 4.34 0.02 . 1 . . . . . . . . 5270 1 481 . 1 1 98 98 VAL CB C 13 33.48 0.2 . 1 . . . . . . . . 5270 1 482 . 1 1 98 98 VAL C C 13 174.60 0.2 . 1 . . . . . . . . 5270 1 483 . 1 1 99 99 GLU N N 15 126.59 0.2 . 1 . . . . . . . . 5270 1 484 . 1 1 99 99 GLU H H 1 8.68 0.02 . 1 . . . . . . . . 5270 1 485 . 1 1 99 99 GLU CA C 13 57.48 0.2 . 1 . . . . . . . . 5270 1 486 . 1 1 99 99 GLU HA H 1 4.20 0.02 . 1 . . . . . . . . 5270 1 487 . 1 1 99 99 GLU CB C 13 29.78 0.2 . 1 . . . . . . . . 5270 1 488 . 1 1 99 99 GLU C C 13 175.00 0.2 . 1 . . . . . . . . 5270 1 489 . 1 1 100 100 VAL N N 15 124.58 0.2 . 1 . . . . . . . . 5270 1 490 . 1 1 100 100 VAL H H 1 8.03 0.02 . 1 . . . . . . . . 5270 1 491 . 1 1 100 100 VAL CA C 13 59.83 0.2 . 1 . . . . . . . . 5270 1 492 . 1 1 100 100 VAL HA H 1 5.09 0.02 . 1 . . . . . . . . 5270 1 493 . 1 1 100 100 VAL CB C 13 34.25 0.2 . 1 . . . . . . . . 5270 1 494 . 1 1 100 100 VAL C C 13 175.81 0.2 . 1 . . . . . . . . 5270 1 495 . 1 1 101 101 LYS N N 15 126.98 0.2 . 1 . . . . . . . . 5270 1 496 . 1 1 101 101 LYS H H 1 9.10 0.02 . 1 . . . . . . . . 5270 1 497 . 1 1 101 101 LYS CA C 13 53.83 0.2 . 1 . . . . . . . . 5270 1 498 . 1 1 101 101 LYS HA H 1 4.60 0.02 . 1 . . . . . . . . 5270 1 499 . 1 1 101 101 LYS CB C 13 34.74 0.2 . 1 . . . . . . . . 5270 1 500 . 1 1 101 101 LYS C C 13 174.85 0.2 . 1 . . . . . . . . 5270 1 501 . 1 1 102 102 LEU N N 15 122.62 0.2 . 1 . . . . . . . . 5270 1 502 . 1 1 102 102 LEU H H 1 8.41 0.02 . 1 . . . . . . . . 5270 1 503 . 1 1 102 102 LEU CA C 13 53.13 0.2 . 1 . . . . . . . . 5270 1 504 . 1 1 102 102 LEU HA H 1 5.31 0.02 . 1 . . . . . . . . 5270 1 505 . 1 1 102 102 LEU CB C 13 42.76 0.2 . 1 . . . . . . . . 5270 1 506 . 1 1 102 102 LEU C C 13 177.07 0.2 . 1 . . . . . . . . 5270 1 507 . 1 1 103 103 HIS N N 15 123.77 0.2 . 1 . . . . . . . . 5270 1 508 . 1 1 103 103 HIS H H 1 8.51 0.02 . 1 . . . . . . . . 5270 1 509 . 1 1 103 103 HIS CA C 13 55.37 0.2 . 1 . . . . . . . . 5270 1 510 . 1 1 103 103 HIS HA H 1 4.96 0.02 . 1 . . . . . . . . 5270 1 511 . 1 1 103 103 HIS CB C 13 33.90 0.2 . 1 . . . . . . . . 5270 1 512 . 1 1 103 103 HIS C C 13 173.58 0.2 . 1 . . . . . . . . 5270 1 513 . 1 1 104 104 ASP N N 15 128.94 0.2 . 1 . . . . . . . . 5270 1 514 . 1 1 104 104 ASP H H 1 8.18 0.02 . 1 . . . . . . . . 5270 1 515 . 1 1 104 104 ASP CA C 13 54.36 0.2 . 1 . . . . . . . . 5270 1 516 . 1 1 104 104 ASP HA H 1 4.46 0.02 . 1 . . . . . . . . 5270 1 517 . 1 1 104 104 ASP CB C 13 40.98 0.2 . 1 . . . . . . . . 5270 1 518 . 1 1 104 104 ASP C C 13 175.85 0.2 . 1 . . . . . . . . 5270 1 519 . 1 1 105 105 GLU N N 15 126.13 0.2 . 1 . . . . . . . . 5270 1 520 . 1 1 105 105 GLU H H 1 8.36 0.02 . 1 . . . . . . . . 5270 1 521 . 1 1 105 105 GLU CA C 13 57.17 0.2 . 1 . . . . . . . . 5270 1 522 . 1 1 105 105 GLU HA H 1 4.06 0.02 . 1 . . . . . . . . 5270 1 523 . 1 1 105 105 GLU CB C 13 30.49 0.2 . 1 . . . . . . . . 5270 1 524 . 1 1 105 105 GLU C C 13 176.99 0.2 . 1 . . . . . . . . 5270 1 525 . 1 1 106 106 ARG N N 15 120.42 0.2 . 1 . . . . . . . . 5270 1 526 . 1 1 106 106 ARG H H 1 8.61 0.02 . 1 . . . . . . . . 5270 1 527 . 1 1 106 106 ARG CA C 13 56.86 0.2 . 1 . . . . . . . . 5270 1 528 . 1 1 106 106 ARG HA H 1 4.21 0.02 . 1 . . . . . . . . 5270 1 529 . 1 1 106 106 ARG CB C 13 30.05 0.2 . 1 . . . . . . . . 5270 1 530 . 1 1 106 106 ARG C C 13 177.66 0.2 . 1 . . . . . . . . 5270 1 531 . 1 1 107 107 LEU N N 15 119.45 0.2 . 1 . . . . . . . . 5270 1 532 . 1 1 107 107 LEU H H 1 7.89 0.02 . 1 . . . . . . . . 5270 1 533 . 1 1 107 107 LEU CA C 13 55.73 0.2 . 1 . . . . . . . . 5270 1 534 . 1 1 107 107 LEU HA H 1 4.25 0.02 . 1 . . . . . . . . 5270 1 535 . 1 1 107 107 LEU CB C 13 42.20 0.2 . 1 . . . . . . . . 5270 1 536 . 1 1 107 107 LEU C C 13 177.57 0.2 . 1 . . . . . . . . 5270 1 537 . 1 1 108 108 SER N N 15 114.86 0.2 . 1 . . . . . . . . 5270 1 538 . 1 1 108 108 SER H H 1 8.01 0.02 . 1 . . . . . . . . 5270 1 539 . 1 1 108 108 SER CA C 13 58.23 0.2 . 1 . . . . . . . . 5270 1 540 . 1 1 108 108 SER CB C 13 63.73 0.2 . 1 . . . . . . . . 5270 1 541 . 1 1 108 108 SER C C 13 174.88 0.2 . 1 . . . . . . . . 5270 1 542 . 1 1 109 109 THR N N 15 114.58 0.2 . 1 . . . . . . . . 5270 1 543 . 1 1 109 109 THR H H 1 7.97 0.02 . 1 . . . . . . . . 5270 1 544 . 1 1 109 109 THR CA C 13 61.48 0.2 . 1 . . . . . . . . 5270 1 545 . 1 1 109 109 THR HA H 1 4.40 0.02 . 1 . . . . . . . . 5270 1 546 . 1 1 109 109 THR CB C 13 69.50 0.2 . 1 . . . . . . . . 5270 1 547 . 1 1 109 109 THR C C 13 174.93 0.2 . 1 . . . . . . . . 5270 1 548 . 1 1 110 110 VAL N N 15 121.44 0.2 . 1 . . . . . . . . 5270 1 549 . 1 1 110 110 VAL H H 1 8.06 0.02 . 1 . . . . . . . . 5270 1 550 . 1 1 110 110 VAL CA C 13 63.23 0.2 . 1 . . . . . . . . 5270 1 551 . 1 1 110 110 VAL HA H 1 3.97 0.02 . 1 . . . . . . . . 5270 1 552 . 1 1 110 110 VAL CB C 13 32.25 0.2 . 1 . . . . . . . . 5270 1 553 . 1 1 110 110 VAL C C 13 176.90 0.2 . 1 . . . . . . . . 5270 1 554 . 1 1 111 111 GLU N N 15 123.06 0.2 . 1 . . . . . . . . 5270 1 555 . 1 1 111 111 GLU H H 1 8.46 0.02 . 1 . . . . . . . . 5270 1 556 . 1 1 111 111 GLU CA C 13 57.27 0.2 . 1 . . . . . . . . 5270 1 557 . 1 1 111 111 GLU HA H 1 4.15 0.02 . 1 . . . . . . . . 5270 1 558 . 1 1 111 111 GLU CB C 13 29.67 0.2 . 1 . . . . . . . . 5270 1 559 . 1 1 111 111 GLU C C 13 176.94 0.2 . 1 . . . . . . . . 5270 1 560 . 1 1 112 112 ALA N N 15 124.24 0.2 . 1 . . . . . . . . 5270 1 561 . 1 1 112 112 ALA H H 1 8.17 0.02 . 1 . . . . . . . . 5270 1 562 . 1 1 112 112 ALA CA C 13 53.21 0.2 . 1 . . . . . . . . 5270 1 563 . 1 1 112 112 ALA HA H 1 4.18 0.02 . 1 . . . . . . . . 5270 1 564 . 1 1 112 112 ALA CB C 13 19.00 0.2 . 1 . . . . . . . . 5270 1 565 . 1 1 114 114 SER CA C 13 59.34 0.2 . 1 . . . . . . . . 5270 1 566 . 1 1 114 114 SER CB C 13 63.81 0.2 . 1 . . . . . . . . 5270 1 567 . 1 1 115 115 GLY N N 15 110.38 0.2 . 1 . . . . . . . . 5270 1 568 . 1 1 115 115 GLY H H 1 8.26 0.02 . 1 . . . . . . . . 5270 1 569 . 1 1 115 115 GLY CA C 13 45.53 0.2 . 1 . . . . . . . . 5270 1 570 . 1 1 115 115 GLY C C 13 174.29 0.2 . 1 . . . . . . . . 5270 1 571 . 1 1 116 116 LEU N N 15 120.93 0.2 . 1 . . . . . . . . 5270 1 572 . 1 1 116 116 LEU H H 1 7.86 0.02 . 1 . . . . . . . . 5270 1 573 . 1 1 116 116 LEU CA C 13 55.63 0.2 . 1 . . . . . . . . 5270 1 574 . 1 1 116 116 LEU HA H 1 4.15 0.02 . 1 . . . . . . . . 5270 1 575 . 1 1 116 116 LEU CB C 13 41.98 0.2 . 1 . . . . . . . . 5270 1 576 . 1 1 132 132 SER CA C 13 58.89 0.2 . 1 . . . . . . . . 5270 1 577 . 1 1 132 132 SER CB C 13 64.03 0.2 . 1 . . . . . . . . 5270 1 578 . 1 1 132 132 SER C C 13 174.36 0.2 . 1 . . . . . . . . 5270 1 579 . 1 1 133 133 ALA N N 15 123.98 0.2 . 1 . . . . . . . . 5270 1 580 . 1 1 133 133 ALA H H 1 7.97 0.02 . 1 . . . . . . . . 5270 1 581 . 1 1 133 133 ALA CA C 13 55.21 0.2 . 1 . . . . . . . . 5270 1 582 . 1 1 133 133 ALA HA H 1 3.91 0.02 . 1 . . . . . . . . 5270 1 583 . 1 1 133 133 ALA CB C 13 18.99 0.2 . 1 . . . . . . . . 5270 1 584 . 1 1 133 133 ALA C C 13 180.49 0.2 . 1 . . . . . . . . 5270 1 585 . 1 1 134 134 SER N N 15 113.68 0.2 . 1 . . . . . . . . 5270 1 586 . 1 1 134 134 SER H H 1 8.43 0.02 . 1 . . . . . . . . 5270 1 587 . 1 1 134 134 SER CA C 13 61.89 0.2 . 1 . . . . . . . . 5270 1 588 . 1 1 134 134 SER HA H 1 4.14 0.02 . 1 . . . . . . . . 5270 1 589 . 1 1 134 134 SER C C 13 176.16 0.2 . 1 . . . . . . . . 5270 1 590 . 1 1 135 135 ALA N N 15 124.31 0.2 . 1 . . . . . . . . 5270 1 591 . 1 1 135 135 ALA H H 1 7.62 0.02 . 1 . . . . . . . . 5270 1 592 . 1 1 135 135 ALA CA C 13 54.74 0.2 . 1 . . . . . . . . 5270 1 593 . 1 1 135 135 ALA HA H 1 3.74 0.02 . 1 . . . . . . . . 5270 1 594 . 1 1 135 135 ALA CB C 13 17.12 0.2 . 1 . . . . . . . . 5270 1 595 . 1 1 135 135 ALA C C 13 177.90 0.2 . 1 . . . . . . . . 5270 1 596 . 1 1 136 136 VAL N N 15 117.45 0.2 . 1 . . . . . . . . 5270 1 597 . 1 1 136 136 VAL H H 1 7.15 0.02 . 1 . . . . . . . . 5270 1 598 . 1 1 136 136 VAL CA C 13 66.05 0.2 . 1 . . . . . . . . 5270 1 599 . 1 1 136 136 VAL HA H 1 2.92 0.02 . 1 . . . . . . . . 5270 1 600 . 1 1 136 136 VAL CB C 13 31.16 0.2 . 1 . . . . . . . . 5270 1 601 . 1 1 136 136 VAL C C 13 176.69 0.2 . 1 . . . . . . . . 5270 1 602 . 1 1 137 137 ILE N N 15 118.80 0.2 . 1 . . . . . . . . 5270 1 603 . 1 1 137 137 ILE H H 1 6.97 0.02 . 1 . . . . . . . . 5270 1 604 . 1 1 137 137 ILE CA C 13 64.36 0.2 . 1 . . . . . . . . 5270 1 605 . 1 1 137 137 ILE HA H 1 3.68 0.02 . 1 . . . . . . . . 5270 1 606 . 1 1 137 137 ILE CB C 13 37.07 0.2 . 1 . . . . . . . . 5270 1 607 . 1 1 137 137 ILE C C 13 179.15 0.2 . 1 . . . . . . . . 5270 1 608 . 1 1 138 138 ILE N N 15 120.52 0.2 . 1 . . . . . . . . 5270 1 609 . 1 1 138 138 ILE H H 1 7.86 0.02 . 1 . . . . . . . . 5270 1 610 . 1 1 138 138 ILE CA C 13 65.05 0.2 . 1 . . . . . . . . 5270 1 611 . 1 1 138 138 ILE HA H 1 3.48 0.02 . 1 . . . . . . . . 5270 1 612 . 1 1 138 138 ILE CB C 13 38.07 0.2 . 1 . . . . . . . . 5270 1 613 . 1 1 138 138 ILE C C 13 176.97 0.2 . 1 . . . . . . . . 5270 1 614 . 1 1 139 139 LEU N N 15 119.51 0.2 . 1 . . . . . . . . 5270 1 615 . 1 1 139 139 LEU H H 1 7.37 0.02 . 1 . . . . . . . . 5270 1 616 . 1 1 139 139 LEU CA C 13 56.94 0.2 . 1 . . . . . . . . 5270 1 617 . 1 1 139 139 LEU HA H 1 3.48 0.02 . 1 . . . . . . . . 5270 1 618 . 1 1 139 139 LEU CB C 13 39.73 0.2 . 1 . . . . . . . . 5270 1 619 . 1 1 139 139 LEU C C 13 177.62 0.2 . 1 . . . . . . . . 5270 1 620 . 1 1 140 140 GLU N N 15 116.69 0.2 . 1 . . . . . . . . 5270 1 621 . 1 1 140 140 GLU H H 1 8.47 0.02 . 1 . . . . . . . . 5270 1 622 . 1 1 140 140 GLU CA C 13 60.34 0.2 . 1 . . . . . . . . 5270 1 623 . 1 1 140 140 GLU HA H 1 3.81 0.02 . 1 . . . . . . . . 5270 1 624 . 1 1 140 140 GLU CB C 13 28.69 0.2 . 1 . . . . . . . . 5270 1 625 . 1 1 140 140 GLU C C 13 179.71 0.2 . 1 . . . . . . . . 5270 1 626 . 1 1 141 141 SER N N 15 114.51 0.2 . 1 . . . . . . . . 5270 1 627 . 1 1 141 141 SER H H 1 8.15 0.02 . 1 . . . . . . . . 5270 1 628 . 1 1 141 141 SER CA C 13 60.37 0.2 . 1 . . . . . . . . 5270 1 629 . 1 1 141 141 SER HA H 1 4.31 0.02 . 1 . . . . . . . . 5270 1 630 . 1 1 141 141 SER CB C 13 62.28 0.2 . 1 . . . . . . . . 5270 1 631 . 1 1 141 141 SER C C 13 176.94 0.2 . 1 . . . . . . . . 5270 1 632 . 1 1 142 142 TYR N N 15 124.17 0.2 . 1 . . . . . . . . 5270 1 633 . 1 1 142 142 TYR H H 1 8.14 0.02 . 1 . . . . . . . . 5270 1 634 . 1 1 142 142 TYR CA C 13 62.36 0.2 . 1 . . . . . . . . 5270 1 635 . 1 1 142 142 TYR HA H 1 3.47 0.02 . 1 . . . . . . . . 5270 1 636 . 1 1 142 142 TYR CB C 13 37.94 0.2 . 1 . . . . . . . . 5270 1 637 . 1 1 142 142 TYR C C 13 179.00 0.2 . 1 . . . . . . . . 5270 1 638 . 1 1 143 143 PHE N N 15 118.29 0.2 . 1 . . . . . . . . 5270 1 639 . 1 1 143 143 PHE H H 1 8.36 0.02 . 1 . . . . . . . . 5270 1 640 . 1 1 143 143 PHE CA C 13 57.71 0.2 . 1 . . . . . . . . 5270 1 641 . 1 1 143 143 PHE HA H 1 4.39 0.02 . 1 . . . . . . . . 5270 1 642 . 1 1 143 143 PHE CB C 13 37.56 0.2 . 1 . . . . . . . . 5270 1 643 . 1 1 143 143 PHE C C 13 178.49 0.2 . 1 . . . . . . . . 5270 1 644 . 1 1 144 144 GLU N N 15 119.07 0.2 . 1 . . . . . . . . 5270 1 645 . 1 1 144 144 GLU H H 1 7.90 0.02 . 1 . . . . . . . . 5270 1 646 . 1 1 144 144 GLU CA C 13 58.23 0.2 . 1 . . . . . . . . 5270 1 647 . 1 1 144 144 GLU HA H 1 4.07 0.02 . 1 . . . . . . . . 5270 1 648 . 1 1 144 144 GLU CB C 13 29.66 0.2 . 1 . . . . . . . . 5270 1 649 . 1 1 144 144 GLU C C 13 178.04 0.2 . 1 . . . . . . . . 5270 1 650 . 1 1 145 145 GLN N N 15 116.65 0.2 . 1 . . . . . . . . 5270 1 651 . 1 1 145 145 GLN H H 1 7.92 0.02 . 1 . . . . . . . . 5270 1 652 . 1 1 145 145 GLN CA C 13 56.72 0.2 . 1 . . . . . . . . 5270 1 653 . 1 1 145 145 GLN HA H 1 4.13 0.02 . 1 . . . . . . . . 5270 1 654 . 1 1 145 145 GLN CB C 13 28.55 0.2 . 1 . . . . . . . . 5270 1 655 . 1 1 145 145 GLN C C 13 177.54 0.2 . 1 . . . . . . . . 5270 1 656 . 1 1 146 146 GLY N N 15 107.38 0.2 . 1 . . . . . . . . 5270 1 657 . 1 1 146 146 GLY H H 1 7.83 0.02 . 1 . . . . . . . . 5270 1 658 . 1 1 146 146 GLY CA C 13 45.74 0.2 . 1 . . . . . . . . 5270 1 659 . 1 1 146 146 GLY C C 13 174.53 0.2 . 1 . . . . . . . . 5270 1 660 . 1 1 147 147 TYR N N 15 119.89 0.2 . 1 . . . . . . . . 5270 1 661 . 1 1 147 147 TYR H H 1 7.74 0.02 . 1 . . . . . . . . 5270 1 662 . 1 1 147 147 TYR CA C 13 58.28 0.2 . 1 . . . . . . . . 5270 1 663 . 1 1 147 147 TYR HA H 1 4.45 0.02 . 1 . . . . . . . . 5270 1 664 . 1 1 147 147 TYR CB C 13 38.09 0.2 . 1 . . . . . . . . 5270 1 stop_ save_