data_5758 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5758 _Entry.Title ; 1H, 13C and 15N chemical shift assignments for YqgF ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-03-27 _Entry.Accession_date 2003-03-27 _Entry.Last_release_date 2003-10-16 _Entry.Original_release_date 2003-10-16 _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 . . . 5758 2 Prasanti Repaka . . . 5758 3 Shane Taremi . S. . 5758 4 Daniel Wyss . F. . 5758 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5758 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 778 5758 '13C chemical shifts' 470 5758 '15N chemical shifts' 122 5758 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 . . 2003-10-16 2003-03-27 original author . 5758 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5270 'backbone assignment of YqgF' 5758 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5758 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the hypothetical protein YqgF from Escherichia coli reveals an RNAse H fold ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 27 _Citation.Journal_issue 4 _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 389 _Citation.Page_last 392 _Citation.Year 2003 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Dingjiang Liu . . . 5758 1 2 Yu-sen Wang . . . 5758 1 3 Daniel Wyss . F. . 5758 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID YqgF 5758 1 'structural genomics' 5758 1 'NMR assignments' 5758 1 'antibiotics resistance' 5758 1 anti-microbial 5758 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_YqgF _Assembly.Sf_category assembly _Assembly.Sf_framecode system_YqgF _Assembly.Entry_ID 5758 _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 5758 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 . . . . . 5758 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1OVQ . . . . . . 5758 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID YqgF system 5758 1 YqgF abbreviation 5758 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YqgF _Entity.Sf_category entity _Entity.Sf_framecode YqgF _Entity.Entry_ID 5758 _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 5270 . YqgF . . . . . 100.00 147 100.00 100.00 8.07e-102 . . . . 5758 1 2 no PDB 1NMN . "Structure Of Yqgf From Escherichia Coli, A Hypothetical Protein" . . . . . 93.88 138 100.00 100.00 3.72e-95 . . . . 5758 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 . . . . 5758 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 . . . . 5758 1 5 no DBJ BAB37248 . "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 93.88 138 98.55 100.00 1.68e-94 . . . . 5758 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 . . . . 5758 1 7 no DBJ BAG78741 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 93.88 138 99.28 100.00 1.52e-94 . . . . 5758 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 . . . . 5758 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 . . . . 5758 1 10 no EMBL CAP77386 . "Holliday junction resolvase [Escherichia coli LF82]" . . . . . 93.88 138 100.00 100.00 3.72e-95 . . . . 5758 1 11 no EMBL CAQ33259 . "predicted Holliday junction resolvase [Escherichia coli BL21(DE3)]" . . . . . 93.88 138 99.28 99.28 4.25e-94 . . . . 5758 1 12 no EMBL CAQ90381 . "Holliday junction resolvase [Escherichia fergusonii ATCC 35469]" . . . . . 93.88 138 99.28 100.00 9.11e-95 . . . . 5758 1 13 no EMBL CAQ99897 . "Holliday junction resolvase [Escherichia coli IAI1]" . . . . . 93.88 138 99.28 100.00 9.11e-95 . . . . 5758 1 14 no EMBL CAR04466 . "Holliday junction resolvase [Escherichia coli S88]" . . . . . 93.88 138 100.00 100.00 3.72e-95 . . . . 5758 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 . . . . 5758 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 . . . . 5758 1 17 no GB AAG58080 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 93.88 138 98.55 100.00 1.68e-94 . . . . 5758 1 18 no GB AAN44421 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 93.88 138 99.28 100.00 9.11e-95 . . . . 5758 1 19 no GB AAN81983 . "Hypothetical protein yqgF [Escherichia coli CFT073]" . . . . . 93.88 138 100.00 100.00 3.72e-95 . . . . 5758 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 . . . . 5758 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 . . . . 5758 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 . . . . 5758 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 . . . . 5758 1 24 no REF NP_755410 . "Holliday junction resolvase-like protein [Escherichia coli CFT073]" . . . . . 93.88 138 100.00 100.00 3.72e-95 . . . . 5758 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 . . . . 5758 1 26 no SP A7ZR72 . "RecName: Full=Putative Holliday junction resolvase [Escherichia coli E24377A]" . . . . . 93.88 138 99.28 100.00 9.11e-95 . . . . 5758 1 27 no SP A8A489 . "RecName: Full=Putative Holliday junction resolvase [Escherichia coli HS]" . . . . . 93.88 138 100.00 100.00 3.72e-95 . . . . 5758 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 . . . . 5758 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 . . . . 5758 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID YqgF common 5758 1 YqgF abbreviation 5758 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 . 5758 1 2 -8 GLY . 5758 1 3 -7 SER . 5758 1 4 -6 MET . 5758 1 5 -5 ALA . 5758 1 6 -4 ASP . 5758 1 7 -3 ILE . 5758 1 8 -2 GLY . 5758 1 9 -1 SER . 5758 1 10 1 MET . 5758 1 11 2 SER . 5758 1 12 3 GLY . 5758 1 13 4 THR . 5758 1 14 5 LEU . 5758 1 15 6 LEU . 5758 1 16 7 ALA . 5758 1 17 8 PHE . 5758 1 18 9 ASP . 5758 1 19 10 PHE . 5758 1 20 11 GLY . 5758 1 21 12 THR . 5758 1 22 13 LYS . 5758 1 23 14 SER . 5758 1 24 15 ILE . 5758 1 25 16 GLY . 5758 1 26 17 VAL . 5758 1 27 18 ALA . 5758 1 28 19 VAL . 5758 1 29 20 GLY . 5758 1 30 21 GLN . 5758 1 31 22 ARG . 5758 1 32 23 ILE . 5758 1 33 24 THR . 5758 1 34 25 GLY . 5758 1 35 26 THR . 5758 1 36 27 ALA . 5758 1 37 28 ARG . 5758 1 38 29 PRO . 5758 1 39 30 LEU . 5758 1 40 31 PRO . 5758 1 41 32 ALA . 5758 1 42 33 ILE . 5758 1 43 34 LYS . 5758 1 44 35 ALA . 5758 1 45 36 GLN . 5758 1 46 37 ASP . 5758 1 47 38 GLY . 5758 1 48 39 THR . 5758 1 49 40 PRO . 5758 1 50 41 ASP . 5758 1 51 42 TRP . 5758 1 52 43 ASN . 5758 1 53 44 ILE . 5758 1 54 45 ILE . 5758 1 55 46 GLU . 5758 1 56 47 ARG . 5758 1 57 48 LEU . 5758 1 58 49 LEU . 5758 1 59 50 LYS . 5758 1 60 51 GLU . 5758 1 61 52 TRP . 5758 1 62 53 GLN . 5758 1 63 54 PRO . 5758 1 64 55 ASP . 5758 1 65 56 GLU . 5758 1 66 57 ILE . 5758 1 67 58 ILE . 5758 1 68 59 VAL . 5758 1 69 60 GLY . 5758 1 70 61 LEU . 5758 1 71 62 PRO . 5758 1 72 63 LEU . 5758 1 73 64 ASN . 5758 1 74 65 MET . 5758 1 75 66 ASP . 5758 1 76 67 GLY . 5758 1 77 68 THR . 5758 1 78 69 GLU . 5758 1 79 70 GLN . 5758 1 80 71 PRO . 5758 1 81 72 LEU . 5758 1 82 73 THR . 5758 1 83 74 ALA . 5758 1 84 75 ARG . 5758 1 85 76 ALA . 5758 1 86 77 ARG . 5758 1 87 78 LYS . 5758 1 88 79 PHE . 5758 1 89 80 ALA . 5758 1 90 81 ASN . 5758 1 91 82 ARG . 5758 1 92 83 ILE . 5758 1 93 84 HIS . 5758 1 94 85 GLY . 5758 1 95 86 ARG . 5758 1 96 87 PHE . 5758 1 97 88 GLY . 5758 1 98 89 VAL . 5758 1 99 90 GLU . 5758 1 100 91 VAL . 5758 1 101 92 LYS . 5758 1 102 93 LEU . 5758 1 103 94 HIS . 5758 1 104 95 ASP . 5758 1 105 96 GLU . 5758 1 106 97 ARG . 5758 1 107 98 LEU . 5758 1 108 99 SER . 5758 1 109 100 THR . 5758 1 110 101 VAL . 5758 1 111 102 GLU . 5758 1 112 103 ALA . 5758 1 113 104 ARG . 5758 1 114 105 SER . 5758 1 115 106 GLY . 5758 1 116 107 LEU . 5758 1 117 108 PHE . 5758 1 118 109 GLU . 5758 1 119 110 GLN . 5758 1 120 111 GLY . 5758 1 121 112 GLY . 5758 1 122 113 TYR . 5758 1 123 114 ARG . 5758 1 124 115 ALA . 5758 1 125 116 LEU . 5758 1 126 117 ASN . 5758 1 127 118 LYS . 5758 1 128 119 GLY . 5758 1 129 120 LYS . 5758 1 130 121 VAL . 5758 1 131 122 ASP . 5758 1 132 123 SER . 5758 1 133 124 ALA . 5758 1 134 125 SER . 5758 1 135 126 ALA . 5758 1 136 127 VAL . 5758 1 137 128 ILE . 5758 1 138 129 ILE . 5758 1 139 130 LEU . 5758 1 140 131 GLU . 5758 1 141 132 SER . 5758 1 142 133 TYR . 5758 1 143 134 PHE . 5758 1 144 135 GLU . 5758 1 145 136 GLN . 5758 1 146 137 GLY . 5758 1 147 138 TYR . 5758 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 5758 1 . GLY 2 2 5758 1 . SER 3 3 5758 1 . MET 4 4 5758 1 . ALA 5 5 5758 1 . ASP 6 6 5758 1 . ILE 7 7 5758 1 . GLY 8 8 5758 1 . SER 9 9 5758 1 . MET 10 10 5758 1 . SER 11 11 5758 1 . GLY 12 12 5758 1 . THR 13 13 5758 1 . LEU 14 14 5758 1 . LEU 15 15 5758 1 . ALA 16 16 5758 1 . PHE 17 17 5758 1 . ASP 18 18 5758 1 . PHE 19 19 5758 1 . GLY 20 20 5758 1 . THR 21 21 5758 1 . LYS 22 22 5758 1 . SER 23 23 5758 1 . ILE 24 24 5758 1 . GLY 25 25 5758 1 . VAL 26 26 5758 1 . ALA 27 27 5758 1 . VAL 28 28 5758 1 . GLY 29 29 5758 1 . GLN 30 30 5758 1 . ARG 31 31 5758 1 . ILE 32 32 5758 1 . THR 33 33 5758 1 . GLY 34 34 5758 1 . THR 35 35 5758 1 . ALA 36 36 5758 1 . ARG 37 37 5758 1 . PRO 38 38 5758 1 . LEU 39 39 5758 1 . PRO 40 40 5758 1 . ALA 41 41 5758 1 . ILE 42 42 5758 1 . LYS 43 43 5758 1 . ALA 44 44 5758 1 . GLN 45 45 5758 1 . ASP 46 46 5758 1 . GLY 47 47 5758 1 . THR 48 48 5758 1 . PRO 49 49 5758 1 . ASP 50 50 5758 1 . TRP 51 51 5758 1 . ASN 52 52 5758 1 . ILE 53 53 5758 1 . ILE 54 54 5758 1 . GLU 55 55 5758 1 . ARG 56 56 5758 1 . LEU 57 57 5758 1 . LEU 58 58 5758 1 . LYS 59 59 5758 1 . GLU 60 60 5758 1 . TRP 61 61 5758 1 . GLN 62 62 5758 1 . PRO 63 63 5758 1 . ASP 64 64 5758 1 . GLU 65 65 5758 1 . ILE 66 66 5758 1 . ILE 67 67 5758 1 . VAL 68 68 5758 1 . GLY 69 69 5758 1 . LEU 70 70 5758 1 . PRO 71 71 5758 1 . LEU 72 72 5758 1 . ASN 73 73 5758 1 . MET 74 74 5758 1 . ASP 75 75 5758 1 . GLY 76 76 5758 1 . THR 77 77 5758 1 . GLU 78 78 5758 1 . GLN 79 79 5758 1 . PRO 80 80 5758 1 . LEU 81 81 5758 1 . THR 82 82 5758 1 . ALA 83 83 5758 1 . ARG 84 84 5758 1 . ALA 85 85 5758 1 . ARG 86 86 5758 1 . LYS 87 87 5758 1 . PHE 88 88 5758 1 . ALA 89 89 5758 1 . ASN 90 90 5758 1 . ARG 91 91 5758 1 . ILE 92 92 5758 1 . HIS 93 93 5758 1 . GLY 94 94 5758 1 . ARG 95 95 5758 1 . PHE 96 96 5758 1 . GLY 97 97 5758 1 . VAL 98 98 5758 1 . GLU 99 99 5758 1 . VAL 100 100 5758 1 . LYS 101 101 5758 1 . LEU 102 102 5758 1 . HIS 103 103 5758 1 . ASP 104 104 5758 1 . GLU 105 105 5758 1 . ARG 106 106 5758 1 . LEU 107 107 5758 1 . SER 108 108 5758 1 . THR 109 109 5758 1 . VAL 110 110 5758 1 . GLU 111 111 5758 1 . ALA 112 112 5758 1 . ARG 113 113 5758 1 . SER 114 114 5758 1 . GLY 115 115 5758 1 . LEU 116 116 5758 1 . PHE 117 117 5758 1 . GLU 118 118 5758 1 . GLN 119 119 5758 1 . GLY 120 120 5758 1 . GLY 121 121 5758 1 . TYR 122 122 5758 1 . ARG 123 123 5758 1 . ALA 124 124 5758 1 . LEU 125 125 5758 1 . ASN 126 126 5758 1 . LYS 127 127 5758 1 . GLY 128 128 5758 1 . LYS 129 129 5758 1 . VAL 130 130 5758 1 . ASP 131 131 5758 1 . SER 132 132 5758 1 . ALA 133 133 5758 1 . SER 134 134 5758 1 . ALA 135 135 5758 1 . VAL 136 136 5758 1 . ILE 137 137 5758 1 . ILE 138 138 5758 1 . LEU 139 139 5758 1 . GLU 140 140 5758 1 . SER 141 141 5758 1 . TYR 142 142 5758 1 . PHE 143 143 5758 1 . GLU 144 144 5758 1 . GLN 145 145 5758 1 . GLY 146 146 5758 1 . TYR 147 147 5758 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 5758 _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 . . . . . . . . . . . . . . . . . . . . . 5758 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 5758 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5758 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5758 _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 . . . . 5758 1 2 KiPO4 . . . . . . . 75 . . mM . . . . 5758 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5758 _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 . . . . 5758 2 2 KiPO4 . . . . . . . 75 . . mM . . . . 5758 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 5758 _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 5758 1 temperature 298 0.5 K 5758 1 'ionic strength' 0.45 0.05 M 5758 1 stop_ save_ ############################ # Computer software used # ############################ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 5758 _Software.ID 1 _Software.Name Felix _Software.Version 2000 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID process 5758 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 5758 _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 5758 _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 . . . 5758 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 5758 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5758 1 2 '1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5758 1 3 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5758 1 4 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5758 1 5 HN(CO) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5758 1 6 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5758 1 7 CBCACONNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5758 1 8 '13C/15N edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5758 1 9 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5758 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 5758 _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 5758 _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 5758 _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 5758 _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 5758 _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 5758 _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 5758 _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_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5758 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '13C/15N edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5758 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # 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 5758 _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 . . . . . . . . . 5758 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5758 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5758 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 5758 _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 . . 2 $sample_2 . 5758 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 15 121.787 0.20 . 1 . . . . . . . . 5758 1 2 . 1 1 10 10 MET H H 1 8.245 0.02 . 1 . . . . . . . . 5758 1 3 . 1 1 10 10 MET CA C 13 55.290 0.20 . 1 . . . . . . . . 5758 1 4 . 1 1 10 10 MET HA H 1 4.180 0.02 . 1 . . . . . . . . 5758 1 5 . 1 1 10 10 MET CB C 13 32.960 0.20 . 1 . . . . . . . . 5758 1 6 . 1 1 10 10 MET HB2 H 1 1.960 0.02 . 1 . . . . . . . . 5758 1 7 . 1 1 10 10 MET HB3 H 1 1.960 0.02 . 1 . . . . . . . . 5758 1 8 . 1 1 10 10 MET CE C 13 17.220 0.20 . 1 . . . . . . . . 5758 1 9 . 1 1 10 10 MET HE1 H 1 2.070 0.02 . 1 . . . . . . . . 5758 1 10 . 1 1 10 10 MET HE2 H 1 2.070 0.02 . 1 . . . . . . . . 5758 1 11 . 1 1 10 10 MET HE3 H 1 2.070 0.02 . 1 . . . . . . . . 5758 1 12 . 1 1 10 10 MET C C 13 176.356 0.20 . 1 . . . . . . . . 5758 1 13 . 1 1 11 11 SER N N 15 119.324 0.20 . 1 . . . . . . . . 5758 1 14 . 1 1 11 11 SER H H 1 9.463 0.02 . 1 . . . . . . . . 5758 1 15 . 1 1 11 11 SER CA C 13 59.001 0.20 . 1 . . . . . . . . 5758 1 16 . 1 1 11 11 SER HA H 1 4.529 0.02 . 1 . . . . . . . . 5758 1 17 . 1 1 11 11 SER CB C 13 64.500 0.20 . 1 . . . . . . . . 5758 1 18 . 1 1 11 11 SER HB2 H 1 4.020 0.02 . 2 . . . . . . . . 5758 1 19 . 1 1 11 11 SER HB3 H 1 3.990 0.02 . 2 . . . . . . . . 5758 1 20 . 1 1 11 11 SER C C 13 176.339 0.20 . 1 . . . . . . . . 5758 1 21 . 1 1 12 12 GLY N N 15 113.655 0.20 . 1 . . . . . . . . 5758 1 22 . 1 1 12 12 GLY H H 1 9.596 0.02 . 1 . . . . . . . . 5758 1 23 . 1 1 12 12 GLY CA C 13 46.076 0.20 . 1 . . . . . . . . 5758 1 24 . 1 1 12 12 GLY HA2 H 1 3.918 0.02 . 2 . . . . . . . . 5758 1 25 . 1 1 12 12 GLY HA3 H 1 4.301 0.02 . 2 . . . . . . . . 5758 1 26 . 1 1 12 12 GLY C C 13 174.229 0.20 . 1 . . . . . . . . 5758 1 27 . 1 1 13 13 THR N N 15 119.102 0.20 . 1 . . . . . . . . 5758 1 28 . 1 1 13 13 THR H H 1 8.591 0.02 . 1 . . . . . . . . 5758 1 29 . 1 1 13 13 THR CA C 13 62.020 0.20 . 1 . . . . . . . . 5758 1 30 . 1 1 13 13 THR HA H 1 5.024 0.02 . 1 . . . . . . . . 5758 1 31 . 1 1 13 13 THR CB C 13 69.975 0.20 . 1 . . . . . . . . 5758 1 32 . 1 1 13 13 THR HB H 1 4.158 0.02 . 1 . . . . . . . . 5758 1 33 . 1 1 13 13 THR CG2 C 13 23.270 0.20 . 1 . . . . . . . . 5758 1 34 . 1 1 13 13 THR HG21 H 1 1.285 0.02 . 1 . . . . . . . . 5758 1 35 . 1 1 13 13 THR HG22 H 1 1.285 0.02 . 1 . . . . . . . . 5758 1 36 . 1 1 13 13 THR HG23 H 1 1.285 0.02 . 1 . . . . . . . . 5758 1 37 . 1 1 13 13 THR C C 13 172.964 0.20 . 1 . . . . . . . . 5758 1 38 . 1 1 14 14 LEU N N 15 126.143 0.20 . 1 . . . . . . . . 5758 1 39 . 1 1 14 14 LEU H H 1 8.997 0.02 . 1 . . . . . . . . 5758 1 40 . 1 1 14 14 LEU CA C 13 54.753 0.20 . 1 . . . . . . . . 5758 1 41 . 1 1 14 14 LEU HA H 1 5.069 0.02 . 1 . . . . . . . . 5758 1 42 . 1 1 14 14 LEU CB C 13 46.179 0.20 . 1 . . . . . . . . 5758 1 43 . 1 1 14 14 LEU HB2 H 1 1.320 0.02 . 1 . . . . . . . . 5758 1 44 . 1 1 14 14 LEU HB3 H 1 1.320 0.02 . 1 . . . . . . . . 5758 1 45 . 1 1 14 14 LEU CG C 13 30.100 0.20 . 1 . . . . . . . . 5758 1 46 . 1 1 14 14 LEU HG H 1 1.830 0.02 . 1 . . . . . . . . 5758 1 47 . 1 1 14 14 LEU CD1 C 13 25.000 0.20 . 1 . . . . . . . . 5758 1 48 . 1 1 14 14 LEU HD11 H 1 0.990 0.02 . 2 . . . . . . . . 5758 1 49 . 1 1 14 14 LEU HD12 H 1 0.990 0.02 . 2 . . . . . . . . 5758 1 50 . 1 1 14 14 LEU HD13 H 1 0.990 0.02 . 2 . . . . . . . . 5758 1 51 . 1 1 14 14 LEU CD2 C 13 26.800 0.20 . 1 . . . . . . . . 5758 1 52 . 1 1 14 14 LEU HD21 H 1 0.900 0.02 . 2 . . . . . . . . 5758 1 53 . 1 1 14 14 LEU HD22 H 1 0.900 0.02 . 2 . . . . . . . . 5758 1 54 . 1 1 14 14 LEU HD23 H 1 0.900 0.02 . 2 . . . . . . . . 5758 1 55 . 1 1 14 14 LEU C C 13 174.826 0.20 . 1 . . . . . . . . 5758 1 56 . 1 1 15 15 LEU N N 15 118.018 0.20 . 1 . . . . . . . . 5758 1 57 . 1 1 15 15 LEU H H 1 7.010 0.02 . 1 . . . . . . . . 5758 1 58 . 1 1 15 15 LEU CA C 13 52.608 0.20 . 1 . . . . . . . . 5758 1 59 . 1 1 15 15 LEU HA H 1 5.102 0.02 . 1 . . . . . . . . 5758 1 60 . 1 1 15 15 LEU CB C 13 47.021 0.20 . 1 . . . . . . . . 5758 1 61 . 1 1 15 15 LEU HB2 H 1 1.138 0.02 . 1 . . . . . . . . 5758 1 62 . 1 1 15 15 LEU HB3 H 1 1.138 0.02 . 1 . . . . . . . . 5758 1 63 . 1 1 15 15 LEU CG C 13 27.500 0.20 . 1 . . . . . . . . 5758 1 64 . 1 1 15 15 LEU HG H 1 1.160 0.02 . 1 . . . . . . . . 5758 1 65 . 1 1 15 15 LEU CD1 C 13 26.071 0.20 . 2 . . . . . . . . 5758 1 66 . 1 1 15 15 LEU HD11 H 1 0.600 0.02 . 1 . . . . . . . . 5758 1 67 . 1 1 15 15 LEU HD12 H 1 0.600 0.02 . 1 . . . . . . . . 5758 1 68 . 1 1 15 15 LEU HD13 H 1 0.600 0.02 . 1 . . . . . . . . 5758 1 69 . 1 1 15 15 LEU CD2 C 13 24.776 0.20 . 2 . . . . . . . . 5758 1 70 . 1 1 15 15 LEU HD21 H 1 0.399 0.02 . 1 . . . . . . . . 5758 1 71 . 1 1 15 15 LEU HD22 H 1 0.399 0.02 . 1 . . . . . . . . 5758 1 72 . 1 1 15 15 LEU HD23 H 1 0.399 0.02 . 1 . . . . . . . . 5758 1 73 . 1 1 15 15 LEU C C 13 174.373 0.20 . 1 . . . . . . . . 5758 1 74 . 1 1 16 16 ALA N N 15 122.439 0.20 . 1 . . . . . . . . 5758 1 75 . 1 1 16 16 ALA H H 1 8.661 0.02 . 1 . . . . . . . . 5758 1 76 . 1 1 16 16 ALA CA C 13 48.841 0.20 . 1 . . . . . . . . 5758 1 77 . 1 1 16 16 ALA HA H 1 5.710 0.02 . 1 . . . . . . . . 5758 1 78 . 1 1 16 16 ALA CB C 13 24.655 0.20 . 1 . . . . . . . . 5758 1 79 . 1 1 16 16 ALA HB1 H 1 0.921 0.02 . 1 . . . . . . . . 5758 1 80 . 1 1 16 16 ALA HB2 H 1 0.921 0.02 . 1 . . . . . . . . 5758 1 81 . 1 1 16 16 ALA HB3 H 1 0.921 0.02 . 1 . . . . . . . . 5758 1 82 . 1 1 16 16 ALA C C 13 175.038 0.20 . 1 . . . . . . . . 5758 1 83 . 1 1 17 17 PHE N N 15 115.160 0.20 . 1 . . . . . . . . 5758 1 84 . 1 1 17 17 PHE H H 1 8.826 0.02 . 1 . . . . . . . . 5758 1 85 . 1 1 17 17 PHE CA C 13 54.925 0.20 . 1 . . . . . . . . 5758 1 86 . 1 1 17 17 PHE HA H 1 5.795 0.02 . 1 . . . . . . . . 5758 1 87 . 1 1 17 17 PHE CB C 13 43.663 0.20 . 1 . . . . . . . . 5758 1 88 . 1 1 17 17 PHE HB2 H 1 3.020 0.02 . 2 . . . . . . . . 5758 1 89 . 1 1 17 17 PHE HB3 H 1 2.870 0.02 . 2 . . . . . . . . 5758 1 90 . 1 1 17 17 PHE CD1 C 13 131.200 0.20 . 1 . . . . . . . . 5758 1 91 . 1 1 17 17 PHE HD1 H 1 7.190 0.02 . 1 . . . . . . . . 5758 1 92 . 1 1 17 17 PHE HE1 H 1 6.990 0.02 . 1 . . . . . . . . 5758 1 93 . 1 1 17 17 PHE CZ C 13 127.470 0.20 . 1 . . . . . . . . 5758 1 94 . 1 1 17 17 PHE HZ H 1 6.900 0.02 . 1 . . . . . . . . 5758 1 95 . 1 1 17 17 PHE HE2 H 1 6.990 0.02 . 1 . . . . . . . . 5758 1 96 . 1 1 17 17 PHE CD2 C 13 131.200 0.20 . 1 . . . . . . . . 5758 1 97 . 1 1 17 17 PHE HD2 H 1 7.190 0.02 . 1 . . . . . . . . 5758 1 98 . 1 1 17 17 PHE C C 13 174.119 0.20 . 1 . . . . . . . . 5758 1 99 . 1 1 18 18 ASP N N 15 121.026 0.20 . 1 . . . . . . . . 5758 1 100 . 1 1 18 18 ASP H H 1 8.562 0.02 . 1 . . . . . . . . 5758 1 101 . 1 1 18 18 ASP CA C 13 51.400 0.20 . 1 . . . . . . . . 5758 1 102 . 1 1 18 18 ASP HA H 1 5.114 0.02 . 1 . . . . . . . . 5758 1 103 . 1 1 18 18 ASP CB C 13 43.485 0.20 . 1 . . . . . . . . 5758 1 104 . 1 1 18 18 ASP HB2 H 1 1.969 0.02 . 2 . . . . . . . . 5758 1 105 . 1 1 18 18 ASP HB3 H 1 2.405 0.02 . 2 . . . . . . . . 5758 1 106 . 1 1 18 18 ASP C C 13 175.141 0.20 . 1 . . . . . . . . 5758 1 107 . 1 1 19 19 PHE N N 15 126.576 0.20 . 1 . . . . . . . . 5758 1 108 . 1 1 19 19 PHE H H 1 9.860 0.02 . 1 . . . . . . . . 5758 1 109 . 1 1 19 19 PHE CA C 13 60.888 0.20 . 1 . . . . . . . . 5758 1 110 . 1 1 19 19 PHE HA H 1 3.692 0.02 . 1 . . . . . . . . 5758 1 111 . 1 1 19 19 PHE CB C 13 39.472 0.20 . 1 . . . . . . . . 5758 1 112 . 1 1 19 19 PHE HB2 H 1 2.688 0.02 . 2 . . . . . . . . 5758 1 113 . 1 1 19 19 PHE HB3 H 1 3.034 0.02 . 2 . . . . . . . . 5758 1 114 . 1 1 19 19 PHE CD1 C 13 129.910 0.20 . 1 . . . . . . . . 5758 1 115 . 1 1 19 19 PHE HD1 H 1 6.380 0.02 . 1 . . . . . . . . 5758 1 116 . 1 1 19 19 PHE HE1 H 1 6.990 0.02 . 1 . . . . . . . . 5758 1 117 . 1 1 19 19 PHE HZ H 1 6.950 0.02 . 1 . . . . . . . . 5758 1 118 . 1 1 19 19 PHE HE2 H 1 6.990 0.02 . 1 . . . . . . . . 5758 1 119 . 1 1 19 19 PHE CD2 C 13 129.910 0.20 . 1 . . . . . . . . 5758 1 120 . 1 1 19 19 PHE HD2 H 1 6.380 0.02 . 1 . . . . . . . . 5758 1 121 . 1 1 19 19 PHE C C 13 173.425 0.20 . 1 . . . . . . . . 5758 1 122 . 1 1 20 20 GLY N N 15 114.556 0.20 . 1 . . . . . . . . 5758 1 123 . 1 1 20 20 GLY H H 1 5.987 0.02 . 1 . . . . . . . . 5758 1 124 . 1 1 20 20 GLY CA C 13 43.703 0.20 . 1 . . . . . . . . 5758 1 125 . 1 1 20 20 GLY HA2 H 1 3.680 0.02 . 2 . . . . . . . . 5758 1 126 . 1 1 20 20 GLY HA3 H 1 3.850 0.02 . 2 . . . . . . . . 5758 1 127 . 1 1 20 20 GLY C C 13 170.742 0.20 . 1 . . . . . . . . 5758 1 128 . 1 1 21 21 THR N N 15 106.402 0.20 . 1 . . . . . . . . 5758 1 129 . 1 1 21 21 THR H H 1 7.891 0.02 . 1 . . . . . . . . 5758 1 130 . 1 1 21 21 THR CA C 13 63.784 0.20 . 1 . . . . . . . . 5758 1 131 . 1 1 21 21 THR HA H 1 3.458 0.02 . 1 . . . . . . . . 5758 1 132 . 1 1 21 21 THR CB C 13 68.147 0.20 . 1 . . . . . . . . 5758 1 133 . 1 1 21 21 THR HB H 1 4.083 0.02 . 1 . . . . . . . . 5758 1 134 . 1 1 21 21 THR CG2 C 13 22.880 0.20 . 1 . . . . . . . . 5758 1 135 . 1 1 21 21 THR HG21 H 1 1.146 0.02 . 1 . . . . . . . . 5758 1 136 . 1 1 21 21 THR HG22 H 1 1.146 0.02 . 1 . . . . . . . . 5758 1 137 . 1 1 21 21 THR HG23 H 1 1.146 0.02 . 1 . . . . . . . . 5758 1 138 . 1 1 22 22 LYS CA C 13 55.977 0.20 . 1 . . . . . . . . 5758 1 139 . 1 1 22 22 LYS CB C 13 34.226 0.20 . 1 . . . . . . . . 5758 1 140 . 1 1 22 22 LYS C C 13 176.987 0.20 . 1 . . . . . . . . 5758 1 141 . 1 1 23 23 SER N N 15 114.295 0.20 . 1 . . . . . . . . 5758 1 142 . 1 1 23 23 SER H H 1 7.054 0.02 . 1 . . . . . . . . 5758 1 143 . 1 1 23 23 SER CA C 13 56.458 0.20 . 1 . . . . . . . . 5758 1 144 . 1 1 23 23 SER HA H 1 4.670 0.02 . 1 . . . . . . . . 5758 1 145 . 1 1 23 23 SER CB C 13 63.950 0.20 . 1 . . . . . . . . 5758 1 146 . 1 1 23 23 SER HB2 H 1 3.378 0.02 . 2 . . . . . . . . 5758 1 147 . 1 1 23 23 SER HB3 H 1 3.488 0.02 . 2 . . . . . . . . 5758 1 148 . 1 1 23 23 SER C C 13 171.862 0.20 . 1 . . . . . . . . 5758 1 149 . 1 1 24 24 ILE N N 15 125.484 0.20 . 1 . . . . . . . . 5758 1 150 . 1 1 24 24 ILE H H 1 9.072 0.02 . 1 . . . . . . . . 5758 1 151 . 1 1 24 24 ILE CA C 13 58.881 0.20 . 1 . . . . . . . . 5758 1 152 . 1 1 24 24 ILE HA H 1 4.494 0.02 . 1 . . . . . . . . 5758 1 153 . 1 1 24 24 ILE CB C 13 40.274 0.20 . 1 . . . . . . . . 5758 1 154 . 1 1 24 24 ILE HB H 1 1.503 0.02 . 1 . . . . . . . . 5758 1 155 . 1 1 24 24 ILE CG1 C 13 28.230 0.20 . 2 . . . . . . . . 5758 1 156 . 1 1 24 24 ILE HG12 H 1 0.330 0.02 . 9 . . . . . . . . 5758 1 157 . 1 1 24 24 ILE HG13 H 1 1.040 0.02 . 9 . . . . . . . . 5758 1 158 . 1 1 24 24 ILE CD1 C 13 13.962 0.20 . 1 . . . . . . . . 5758 1 159 . 1 1 24 24 ILE HD11 H 1 0.162 0.02 . 1 . . . . . . . . 5758 1 160 . 1 1 24 24 ILE HD12 H 1 0.162 0.02 . 1 . . . . . . . . 5758 1 161 . 1 1 24 24 ILE HD13 H 1 0.162 0.02 . 1 . . . . . . . . 5758 1 162 . 1 1 24 24 ILE CG2 C 13 18.000 0.20 . 2 . . . . . . . . 5758 1 163 . 1 1 24 24 ILE HG21 H 1 0.742 0.02 . 4 . . . . . . . . 5758 1 164 . 1 1 24 24 ILE HG22 H 1 0.742 0.02 . 4 . . . . . . . . 5758 1 165 . 1 1 24 24 ILE HG23 H 1 0.742 0.02 . 4 . . . . . . . . 5758 1 166 . 1 1 24 24 ILE C C 13 176.087 0.20 . 1 . . . . . . . . 5758 1 167 . 1 1 25 25 GLY N N 15 114.583 0.20 . 1 . . . . . . . . 5758 1 168 . 1 1 25 25 GLY H H 1 8.831 0.02 . 1 . . . . . . . . 5758 1 169 . 1 1 25 25 GLY CA C 13 45.385 0.20 . 1 . . . . . . . . 5758 1 170 . 1 1 25 25 GLY HA2 H 1 3.930 0.02 . 2 . . . . . . . . 5758 1 171 . 1 1 25 25 GLY HA3 H 1 4.220 0.02 . 2 . . . . . . . . 5758 1 172 . 1 1 25 25 GLY C C 13 173.227 0.20 . 1 . . . . . . . . 5758 1 173 . 1 1 26 26 VAL N N 15 120.752 0.20 . 1 . . . . . . . . 5758 1 174 . 1 1 26 26 VAL H H 1 8.760 0.02 . 1 . . . . . . . . 5758 1 175 . 1 1 26 26 VAL CA C 13 60.592 0.20 . 1 . . . . . . . . 5758 1 176 . 1 1 26 26 VAL HA H 1 5.014 0.02 . 1 . . . . . . . . 5758 1 177 . 1 1 26 26 VAL CB C 13 34.710 0.20 . 1 . . . . . . . . 5758 1 178 . 1 1 26 26 VAL HB H 1 1.630 0.02 . 1 . . . . . . . . 5758 1 179 . 1 1 26 26 VAL CG2 C 13 21.831 0.20 . 2 . . . . . . . . 5758 1 180 . 1 1 26 26 VAL HG21 H 1 0.920 0.02 . 1 . . . . . . . . 5758 1 181 . 1 1 26 26 VAL HG22 H 1 0.920 0.02 . 1 . . . . . . . . 5758 1 182 . 1 1 26 26 VAL HG23 H 1 0.920 0.02 . 1 . . . . . . . . 5758 1 183 . 1 1 26 26 VAL CG1 C 13 22.496 0.20 . 2 . . . . . . . . 5758 1 184 . 1 1 26 26 VAL HG11 H 1 0.652 0.02 . 1 . . . . . . . . 5758 1 185 . 1 1 26 26 VAL HG12 H 1 0.652 0.02 . 1 . . . . . . . . 5758 1 186 . 1 1 26 26 VAL HG13 H 1 0.652 0.02 . 1 . . . . . . . . 5758 1 187 . 1 1 26 26 VAL C C 13 173.356 0.20 . 1 . . . . . . . . 5758 1 188 . 1 1 27 27 ALA N N 15 126.426 0.20 . 1 . . . . . . . . 5758 1 189 . 1 1 27 27 ALA H H 1 8.521 0.02 . 1 . . . . . . . . 5758 1 190 . 1 1 27 27 ALA CA C 13 49.779 0.20 . 1 . . . . . . . . 5758 1 191 . 1 1 27 27 ALA HA H 1 4.932 0.02 . 1 . . . . . . . . 5758 1 192 . 1 1 27 27 ALA CB C 13 23.590 0.20 . 1 . . . . . . . . 5758 1 193 . 1 1 27 27 ALA HB1 H 1 0.890 0.02 . 1 . . . . . . . . 5758 1 194 . 1 1 27 27 ALA HB2 H 1 0.890 0.02 . 1 . . . . . . . . 5758 1 195 . 1 1 27 27 ALA HB3 H 1 0.890 0.02 . 1 . . . . . . . . 5758 1 196 . 1 1 27 27 ALA C C 13 173.946 0.20 . 1 . . . . . . . . 5758 1 197 . 1 1 28 28 VAL N N 15 116.347 0.20 . 1 . . . . . . . . 5758 1 198 . 1 1 28 28 VAL H H 1 8.420 0.02 . 1 . . . . . . . . 5758 1 199 . 1 1 28 28 VAL CA C 13 57.728 0.20 . 1 . . . . . . . . 5758 1 200 . 1 1 28 28 VAL HA H 1 5.005 0.02 . 1 . . . . . . . . 5758 1 201 . 1 1 28 28 VAL CB C 13 35.017 0.20 . 1 . . . . . . . . 5758 1 202 . 1 1 28 28 VAL HB H 1 0.955 0.02 . 1 . . . . . . . . 5758 1 203 . 1 1 28 28 VAL CG2 C 13 20.320 0.20 . 2 . . . . . . . . 5758 1 204 . 1 1 28 28 VAL HG21 H 1 0.021 0.02 . 1 . . . . . . . . 5758 1 205 . 1 1 28 28 VAL HG22 H 1 0.021 0.02 . 1 . . . . . . . . 5758 1 206 . 1 1 28 28 VAL HG23 H 1 0.021 0.02 . 1 . . . . . . . . 5758 1 207 . 1 1 28 28 VAL CG1 C 13 18.615 0.20 . 2 . . . . . . . . 5758 1 208 . 1 1 28 28 VAL HG11 H 1 0.044 0.02 . 1 . . . . . . . . 5758 1 209 . 1 1 28 28 VAL HG12 H 1 0.044 0.02 . 1 . . . . . . . . 5758 1 210 . 1 1 28 28 VAL HG13 H 1 0.044 0.02 . 1 . . . . . . . . 5758 1 211 . 1 1 28 28 VAL C C 13 173.665 0.20 . 1 . . . . . . . . 5758 1 212 . 1 1 29 29 GLY N N 15 112.296 0.20 . 1 . . . . . . . . 5758 1 213 . 1 1 29 29 GLY H H 1 8.502 0.02 . 1 . . . . . . . . 5758 1 214 . 1 1 29 29 GLY CA C 13 45.435 0.20 . 1 . . . . . . . . 5758 1 215 . 1 1 29 29 GLY HA2 H 1 3.880 0.02 . 2 . . . . . . . . 5758 1 216 . 1 1 29 29 GLY HA3 H 1 4.940 0.02 . 2 . . . . . . . . 5758 1 217 . 1 1 29 29 GLY C C 13 171.396 0.20 . 1 . . . . . . . . 5758 1 218 . 1 1 30 30 GLN N N 15 118.136 0.20 . 1 . . . . . . . . 5758 1 219 . 1 1 30 30 GLN H H 1 8.027 0.02 . 1 . . . . . . . . 5758 1 220 . 1 1 30 30 GLN CA C 13 53.954 0.20 . 1 . . . . . . . . 5758 1 221 . 1 1 30 30 GLN HA H 1 5.254 0.02 . 1 . . . . . . . . 5758 1 222 . 1 1 30 30 GLN CB C 13 31.400 0.20 . 1 . . . . . . . . 5758 1 223 . 1 1 30 30 GLN HB2 H 1 2.140 0.02 . 2 . . . . . . . . 5758 1 224 . 1 1 30 30 GLN HB3 H 1 2.060 0.02 . 2 . . . . . . . . 5758 1 225 . 1 1 30 30 GLN CG C 13 34.390 0.20 . 1 . . . . . . . . 5758 1 226 . 1 1 30 30 GLN HG2 H 1 2.364 0.02 . 2 . . . . . . . . 5758 1 227 . 1 1 30 30 GLN HG3 H 1 2.445 0.02 . 2 . . . . . . . . 5758 1 228 . 1 1 30 30 GLN NE2 N 15 111.580 0.20 . 1 . . . . . . . . 5758 1 229 . 1 1 30 30 GLN HE21 H 1 7.490 0.02 . 2 . . . . . . . . 5758 1 230 . 1 1 30 30 GLN HE22 H 1 6.790 0.02 . 2 . . . . . . . . 5758 1 231 . 1 1 30 30 GLN C C 13 175.508 0.20 . 1 . . . . . . . . 5758 1 232 . 1 1 31 31 ARG N N 15 124.839 0.20 . 1 . . . . . . . . 5758 1 233 . 1 1 31 31 ARG H H 1 8.608 0.02 . 1 . . . . . . . . 5758 1 234 . 1 1 31 31 ARG CA C 13 59.107 0.20 . 1 . . . . . . . . 5758 1 235 . 1 1 31 31 ARG HA H 1 3.040 0.02 . 1 . . . . . . . . 5758 1 236 . 1 1 31 31 ARG CB C 13 30.220 0.20 . 1 . . . . . . . . 5758 1 237 . 1 1 31 31 ARG HB2 H 1 1.670 0.02 . 1 . . . . . . . . 5758 1 238 . 1 1 31 31 ARG HB3 H 1 1.670 0.02 . 1 . . . . . . . . 5758 1 239 . 1 1 31 31 ARG CG C 13 27.800 0.20 . 1 . . . . . . . . 5758 1 240 . 1 1 31 31 ARG HG2 H 1 1.480 0.02 . 1 . . . . . . . . 5758 1 241 . 1 1 31 31 ARG HG3 H 1 1.480 0.02 . 1 . . . . . . . . 5758 1 242 . 1 1 31 31 ARG CD C 13 43.300 0.20 . 1 . . . . . . . . 5758 1 243 . 1 1 31 31 ARG HD2 H 1 3.130 0.02 . 1 . . . . . . . . 5758 1 244 . 1 1 31 31 ARG HD3 H 1 3.130 0.02 . 1 . . . . . . . . 5758 1 245 . 1 1 31 31 ARG C C 13 178.210 0.20 . 1 . . . . . . . . 5758 1 246 . 1 1 32 32 ILE N N 15 115.164 0.20 . 1 . . . . . . . . 5758 1 247 . 1 1 32 32 ILE H H 1 8.477 0.02 . 1 . . . . . . . . 5758 1 248 . 1 1 32 32 ILE CA C 13 63.590 0.20 . 1 . . . . . . . . 5758 1 249 . 1 1 32 32 ILE HA H 1 3.946 0.02 . 1 . . . . . . . . 5758 1 250 . 1 1 32 32 ILE CB C 13 37.560 0.20 . 1 . . . . . . . . 5758 1 251 . 1 1 32 32 ILE HB H 1 1.842 0.02 . 1 . . . . . . . . 5758 1 252 . 1 1 32 32 ILE CG1 C 13 28.790 0.20 . 2 . . . . . . . . 5758 1 253 . 1 1 32 32 ILE HG12 H 1 1.226 0.02 . 9 . . . . . . . . 5758 1 254 . 1 1 32 32 ILE HG13 H 1 1.428 0.02 . 9 . . . . . . . . 5758 1 255 . 1 1 32 32 ILE CD1 C 13 13.620 0.20 . 1 . . . . . . . . 5758 1 256 . 1 1 32 32 ILE HD11 H 1 0.867 0.02 . 1 . . . . . . . . 5758 1 257 . 1 1 32 32 ILE HD12 H 1 0.867 0.02 . 1 . . . . . . . . 5758 1 258 . 1 1 32 32 ILE HD13 H 1 0.867 0.02 . 1 . . . . . . . . 5758 1 259 . 1 1 32 32 ILE CG2 C 13 17.600 0.20 . 2 . . . . . . . . 5758 1 260 . 1 1 32 32 ILE HG21 H 1 0.908 0.02 . 4 . . . . . . . . 5758 1 261 . 1 1 32 32 ILE HG22 H 1 0.908 0.02 . 4 . . . . . . . . 5758 1 262 . 1 1 32 32 ILE HG23 H 1 0.908 0.02 . 4 . . . . . . . . 5758 1 263 . 1 1 32 32 ILE C C 13 176.433 0.20 . 1 . . . . . . . . 5758 1 264 . 1 1 33 33 THR N N 15 107.560 0.20 . 1 . . . . . . . . 5758 1 265 . 1 1 33 33 THR H H 1 6.781 0.02 . 1 . . . . . . . . 5758 1 266 . 1 1 33 33 THR CA C 13 61.460 0.20 . 1 . . . . . . . . 5758 1 267 . 1 1 33 33 THR HA H 1 4.360 0.02 . 1 . . . . . . . . 5758 1 268 . 1 1 33 33 THR CB C 13 69.760 0.20 . 1 . . . . . . . . 5758 1 269 . 1 1 33 33 THR HB H 1 4.250 0.02 . 1 . . . . . . . . 5758 1 270 . 1 1 33 33 THR CG2 C 13 22.540 0.20 . 1 . . . . . . . . 5758 1 271 . 1 1 33 33 THR HG21 H 1 1.180 0.02 . 1 . . . . . . . . 5758 1 272 . 1 1 33 33 THR HG22 H 1 1.180 0.02 . 1 . . . . . . . . 5758 1 273 . 1 1 33 33 THR HG23 H 1 1.180 0.02 . 1 . . . . . . . . 5758 1 274 . 1 1 33 33 THR C C 13 176.231 0.20 . 1 . . . . . . . . 5758 1 275 . 1 1 34 34 GLY N N 15 111.273 0.20 . 1 . . . . . . . . 5758 1 276 . 1 1 34 34 GLY H H 1 7.832 0.02 . 1 . . . . . . . . 5758 1 277 . 1 1 34 34 GLY CA C 13 46.275 0.20 . 1 . . . . . . . . 5758 1 278 . 1 1 34 34 GLY HA2 H 1 2.790 0.02 . 2 . . . . . . . . 5758 1 279 . 1 1 34 34 GLY HA3 H 1 3.750 0.02 . 2 . . . . . . . . 5758 1 280 . 1 1 34 34 GLY C C 13 173.613 0.20 . 1 . . . . . . . . 5758 1 281 . 1 1 35 35 THR N N 15 110.263 0.20 . 1 . . . . . . . . 5758 1 282 . 1 1 35 35 THR H H 1 7.344 0.02 . 1 . . . . . . . . 5758 1 283 . 1 1 35 35 THR CA C 13 59.803 0.20 . 1 . . . . . . . . 5758 1 284 . 1 1 35 35 THR HA H 1 4.688 0.02 . 1 . . . . . . . . 5758 1 285 . 1 1 35 35 THR CB C 13 72.090 0.20 . 1 . . . . . . . . 5758 1 286 . 1 1 35 35 THR HB H 1 4.100 0.02 . 1 . . . . . . . . 5758 1 287 . 1 1 35 35 THR CG2 C 13 21.620 0.20 . 1 . . . . . . . . 5758 1 288 . 1 1 35 35 THR HG21 H 1 1.105 0.02 . 1 . . . . . . . . 5758 1 289 . 1 1 35 35 THR HG22 H 1 1.105 0.02 . 1 . . . . . . . . 5758 1 290 . 1 1 35 35 THR HG23 H 1 1.105 0.02 . 1 . . . . . . . . 5758 1 291 . 1 1 35 35 THR C C 13 172.970 0.20 . 1 . . . . . . . . 5758 1 292 . 1 1 36 36 ALA N N 15 125.293 0.20 . 1 . . . . . . . . 5758 1 293 . 1 1 36 36 ALA H H 1 9.408 0.02 . 1 . . . . . . . . 5758 1 294 . 1 1 36 36 ALA CA C 13 50.166 0.20 . 1 . . . . . . . . 5758 1 295 . 1 1 36 36 ALA HA H 1 5.315 0.02 . 1 . . . . . . . . 5758 1 296 . 1 1 36 36 ALA CB C 13 24.850 0.20 . 1 . . . . . . . . 5758 1 297 . 1 1 36 36 ALA HB1 H 1 1.245 0.02 . 1 . . . . . . . . 5758 1 298 . 1 1 36 36 ALA HB2 H 1 1.245 0.02 . 1 . . . . . . . . 5758 1 299 . 1 1 36 36 ALA HB3 H 1 1.245 0.02 . 1 . . . . . . . . 5758 1 300 . 1 1 36 36 ALA C C 13 175.296 0.20 . 1 . . . . . . . . 5758 1 301 . 1 1 37 37 ARG N N 15 118.755 0.20 . 1 . . . . . . . . 5758 1 302 . 1 1 37 37 ARG H H 1 9.052 0.02 . 1 . . . . . . . . 5758 1 303 . 1 1 37 37 ARG CA C 13 52.344 0.20 . 1 . . . . . . . . 5758 1 304 . 1 1 37 37 ARG HA H 1 4.888 0.02 . 1 . . . . . . . . 5758 1 305 . 1 1 37 37 ARG CB C 13 31.549 0.20 . 1 . . . . . . . . 5758 1 306 . 1 1 37 37 ARG HB2 H 1 1.687 0.02 . 1 . . . . . . . . 5758 1 307 . 1 1 37 37 ARG HB3 H 1 1.687 0.02 . 1 . . . . . . . . 5758 1 308 . 1 1 37 37 ARG CG C 13 26.440 0.20 . 1 . . . . . . . . 5758 1 309 . 1 1 37 37 ARG HG2 H 1 1.560 0.02 . 2 . . . . . . . . 5758 1 310 . 1 1 37 37 ARG HG3 H 1 1.440 0.02 . 2 . . . . . . . . 5758 1 311 . 1 1 37 37 ARG CD C 13 43.540 0.20 . 1 . . . . . . . . 5758 1 312 . 1 1 37 37 ARG HD2 H 1 3.084 0.02 . 1 . . . . . . . . 5758 1 313 . 1 1 37 37 ARG HD3 H 1 3.084 0.02 . 1 . . . . . . . . 5758 1 314 . 1 1 38 38 PRO CA C 13 62.700 0.20 . 1 . . . . . . . . 5758 1 315 . 1 1 38 38 PRO HA H 1 4.520 0.02 . 1 . . . . . . . . 5758 1 316 . 1 1 38 38 PRO CB C 13 32.830 0.20 . 1 . . . . . . . . 5758 1 317 . 1 1 38 38 PRO HB2 H 1 1.820 0.02 . 2 . . . . . . . . 5758 1 318 . 1 1 38 38 PRO HB3 H 1 2.180 0.02 . 2 . . . . . . . . 5758 1 319 . 1 1 38 38 PRO CG C 13 27.300 0.20 . 1 . . . . . . . . 5758 1 320 . 1 1 38 38 PRO HG2 H 1 1.890 0.02 . 2 . . . . . . . . 5758 1 321 . 1 1 38 38 PRO HG3 H 1 2.110 0.02 . 2 . . . . . . . . 5758 1 322 . 1 1 38 38 PRO CD C 13 50.070 0.20 . 1 . . . . . . . . 5758 1 323 . 1 1 38 38 PRO HD2 H 1 3.630 0.02 . 2 . . . . . . . . 5758 1 324 . 1 1 38 38 PRO HD3 H 1 3.780 0.02 . 2 . . . . . . . . 5758 1 325 . 1 1 38 38 PRO C C 13 175.873 0.20 . 1 . . . . . . . . 5758 1 326 . 1 1 39 39 LEU N N 15 122.843 0.20 . 1 . . . . . . . . 5758 1 327 . 1 1 39 39 LEU H H 1 8.315 0.02 . 1 . . . . . . . . 5758 1 328 . 1 1 39 39 LEU CA C 13 51.927 0.20 . 1 . . . . . . . . 5758 1 329 . 1 1 39 39 LEU HA H 1 4.800 0.02 . 1 . . . . . . . . 5758 1 330 . 1 1 39 39 LEU CB C 13 41.337 0.20 . 1 . . . . . . . . 5758 1 331 . 1 1 39 39 LEU HB2 H 1 1.170 0.02 . 1 . . . . . . . . 5758 1 332 . 1 1 39 39 LEU HB3 H 1 1.170 0.02 . 1 . . . . . . . . 5758 1 333 . 1 1 39 39 LEU HG H 1 1.280 0.02 . 1 . . . . . . . . 5758 1 334 . 1 1 39 39 LEU CD1 C 13 25.861 0.20 . 2 . . . . . . . . 5758 1 335 . 1 1 39 39 LEU HD11 H 1 0.427 0.02 . 1 . . . . . . . . 5758 1 336 . 1 1 39 39 LEU HD12 H 1 0.427 0.02 . 1 . . . . . . . . 5758 1 337 . 1 1 39 39 LEU HD13 H 1 0.427 0.02 . 1 . . . . . . . . 5758 1 338 . 1 1 39 39 LEU CD2 C 13 22.240 0.20 . 2 . . . . . . . . 5758 1 339 . 1 1 39 39 LEU HD21 H 1 0.900 0.02 . 1 . . . . . . . . 5758 1 340 . 1 1 39 39 LEU HD22 H 1 0.900 0.02 . 1 . . . . . . . . 5758 1 341 . 1 1 39 39 LEU HD23 H 1 0.900 0.02 . 1 . . . . . . . . 5758 1 342 . 1 1 40 40 PRO CA C 13 64.228 0.20 . 1 . . . . . . . . 5758 1 343 . 1 1 40 40 PRO CB C 13 31.620 0.20 . 1 . . . . . . . . 5758 1 344 . 1 1 40 40 PRO C C 13 175.344 0.20 . 1 . . . . . . . . 5758 1 345 . 1 1 41 41 ALA N N 15 124.233 0.20 . 1 . . . . . . . . 5758 1 346 . 1 1 41 41 ALA H H 1 8.115 0.02 . 1 . . . . . . . . 5758 1 347 . 1 1 41 41 ALA CA C 13 52.040 0.20 . 1 . . . . . . . . 5758 1 348 . 1 1 41 41 ALA HA H 1 4.388 0.02 . 1 . . . . . . . . 5758 1 349 . 1 1 41 41 ALA CB C 13 19.001 0.20 . 1 . . . . . . . . 5758 1 350 . 1 1 41 41 ALA HB1 H 1 1.180 0.02 . 1 . . . . . . . . 5758 1 351 . 1 1 41 41 ALA HB2 H 1 1.180 0.02 . 1 . . . . . . . . 5758 1 352 . 1 1 41 41 ALA HB3 H 1 1.180 0.02 . 1 . . . . . . . . 5758 1 353 . 1 1 41 41 ALA C C 13 177.931 0.20 . 1 . . . . . . . . 5758 1 354 . 1 1 42 42 ILE N N 15 121.003 0.20 . 1 . . . . . . . . 5758 1 355 . 1 1 42 42 ILE H H 1 8.885 0.02 . 1 . . . . . . . . 5758 1 356 . 1 1 42 42 ILE CA C 13 60.042 0.20 . 1 . . . . . . . . 5758 1 357 . 1 1 42 42 ILE HA H 1 4.181 0.02 . 1 . . . . . . . . 5758 1 358 . 1 1 42 42 ILE CB C 13 40.459 0.20 . 1 . . . . . . . . 5758 1 359 . 1 1 42 42 ILE HB H 1 1.660 0.02 . 1 . . . . . . . . 5758 1 360 . 1 1 42 42 ILE CD1 C 13 14.930 0.20 . 1 . . . . . . . . 5758 1 361 . 1 1 42 42 ILE HD11 H 1 0.740 0.02 . 1 . . . . . . . . 5758 1 362 . 1 1 42 42 ILE HD12 H 1 0.740 0.02 . 1 . . . . . . . . 5758 1 363 . 1 1 42 42 ILE HD13 H 1 0.740 0.02 . 1 . . . . . . . . 5758 1 364 . 1 1 42 42 ILE CG2 C 13 17.600 0.20 . 2 . . . . . . . . 5758 1 365 . 1 1 42 42 ILE HG21 H 1 0.890 0.02 . 4 . . . . . . . . 5758 1 366 . 1 1 42 42 ILE HG22 H 1 0.890 0.02 . 4 . . . . . . . . 5758 1 367 . 1 1 42 42 ILE HG23 H 1 0.890 0.02 . 4 . . . . . . . . 5758 1 368 . 1 1 42 42 ILE C C 13 175.564 0.20 . 1 . . . . . . . . 5758 1 369 . 1 1 43 43 LYS N N 15 127.052 0.20 . 1 . . . . . . . . 5758 1 370 . 1 1 43 43 LYS H H 1 8.583 0.02 . 1 . . . . . . . . 5758 1 371 . 1 1 43 43 LYS CA C 13 57.281 0.20 . 1 . . . . . . . . 5758 1 372 . 1 1 43 43 LYS HA H 1 4.067 0.02 . 1 . . . . . . . . 5758 1 373 . 1 1 43 43 LYS CB C 13 32.533 0.20 . 1 . . . . . . . . 5758 1 374 . 1 1 43 43 LYS HB2 H 1 1.700 0.02 . 1 . . . . . . . . 5758 1 375 . 1 1 43 43 LYS HB3 H 1 1.700 0.02 . 1 . . . . . . . . 5758 1 376 . 1 1 43 43 LYS HG2 H 1 1.400 0.02 . 1 . . . . . . . . 5758 1 377 . 1 1 43 43 LYS HG3 H 1 1.400 0.02 . 1 . . . . . . . . 5758 1 378 . 1 1 43 43 LYS CD C 13 25.000 0.20 . 1 . . . . . . . . 5758 1 379 . 1 1 43 43 LYS HD2 H 1 1.540 0.02 . 1 . . . . . . . . 5758 1 380 . 1 1 43 43 LYS HD3 H 1 1.540 0.02 . 1 . . . . . . . . 5758 1 381 . 1 1 43 43 LYS CE C 13 41.500 0.20 . 1 . . . . . . . . 5758 1 382 . 1 1 43 43 LYS HE2 H 1 2.940 0.02 . 1 . . . . . . . . 5758 1 383 . 1 1 43 43 LYS HE3 H 1 2.940 0.02 . 1 . . . . . . . . 5758 1 384 . 1 1 43 43 LYS C C 13 175.080 0.20 . 1 . . . . . . . . 5758 1 385 . 1 1 44 44 ALA N N 15 124.091 0.20 . 1 . . . . . . . . 5758 1 386 . 1 1 44 44 ALA H H 1 7.509 0.02 . 1 . . . . . . . . 5758 1 387 . 1 1 44 44 ALA CA C 13 49.829 0.20 . 1 . . . . . . . . 5758 1 388 . 1 1 44 44 ALA HA H 1 4.482 0.02 . 1 . . . . . . . . 5758 1 389 . 1 1 44 44 ALA CB C 13 20.846 0.20 . 1 . . . . . . . . 5758 1 390 . 1 1 44 44 ALA HB1 H 1 0.496 0.02 . 1 . . . . . . . . 5758 1 391 . 1 1 44 44 ALA HB2 H 1 0.496 0.02 . 1 . . . . . . . . 5758 1 392 . 1 1 44 44 ALA HB3 H 1 0.496 0.02 . 1 . . . . . . . . 5758 1 393 . 1 1 44 44 ALA C C 13 174.896 0.20 . 1 . . . . . . . . 5758 1 394 . 1 1 45 45 GLN N N 15 118.816 0.20 . 1 . . . . . . . . 5758 1 395 . 1 1 45 45 GLN H H 1 7.940 0.02 . 1 . . . . . . . . 5758 1 396 . 1 1 45 45 GLN CA C 13 54.704 0.20 . 1 . . . . . . . . 5758 1 397 . 1 1 45 45 GLN HA H 1 4.490 0.02 . 1 . . . . . . . . 5758 1 398 . 1 1 45 45 GLN CB C 13 29.400 0.20 . 1 . . . . . . . . 5758 1 399 . 1 1 45 45 GLN HB2 H 1 1.950 0.02 . 2 . . . . . . . . 5758 1 400 . 1 1 45 45 GLN HB3 H 1 2.000 0.02 . 2 . . . . . . . . 5758 1 401 . 1 1 45 45 GLN CG C 13 33.290 0.20 . 1 . . . . . . . . 5758 1 402 . 1 1 45 45 GLN HG2 H 1 2.250 0.02 . 1 . . . . . . . . 5758 1 403 . 1 1 45 45 GLN HG3 H 1 2.250 0.02 . 1 . . . . . . . . 5758 1 404 . 1 1 45 45 GLN NE2 N 15 112.200 0.20 . 1 . . . . . . . . 5758 1 405 . 1 1 45 45 GLN HE21 H 1 7.550 0.02 . 2 . . . . . . . . 5758 1 406 . 1 1 45 45 GLN HE22 H 1 6.790 0.02 . 2 . . . . . . . . 5758 1 407 . 1 1 46 46 ASP CA C 13 55.380 0.20 . 1 . . . . . . . . 5758 1 408 . 1 1 46 46 ASP CB C 13 39.879 0.20 . 1 . . . . . . . . 5758 1 409 . 1 1 46 46 ASP C C 13 176.752 0.20 . 1 . . . . . . . . 5758 1 410 . 1 1 47 47 GLY N N 15 106.356 0.20 . 1 . . . . . . . . 5758 1 411 . 1 1 47 47 GLY H H 1 8.840 0.02 . 1 . . . . . . . . 5758 1 412 . 1 1 47 47 GLY CA C 13 45.135 0.20 . 1 . . . . . . . . 5758 1 413 . 1 1 47 47 GLY HA2 H 1 3.450 0.02 . 2 . . . . . . . . 5758 1 414 . 1 1 47 47 GLY HA3 H 1 4.240 0.02 . 2 . . . . . . . . 5758 1 415 . 1 1 47 47 GLY C C 13 173.027 0.20 . 1 . . . . . . . . 5758 1 416 . 1 1 48 48 THR N N 15 117.350 0.20 . 1 . . . . . . . . 5758 1 417 . 1 1 48 48 THR H H 1 7.808 0.02 . 1 . . . . . . . . 5758 1 418 . 1 1 48 48 THR CA C 13 59.467 0.20 . 1 . . . . . . . . 5758 1 419 . 1 1 48 48 THR HA H 1 4.690 0.02 . 1 . . . . . . . . 5758 1 420 . 1 1 48 48 THR CB C 13 69.510 0.20 . 1 . . . . . . . . 5758 1 421 . 1 1 48 48 THR HB H 1 4.280 0.02 . 1 . . . . . . . . 5758 1 422 . 1 1 48 48 THR CG2 C 13 21.826 0.20 . 1 . . . . . . . . 5758 1 423 . 1 1 48 48 THR HG21 H 1 1.400 0.02 . 1 . . . . . . . . 5758 1 424 . 1 1 48 48 THR HG22 H 1 1.400 0.02 . 1 . . . . . . . . 5758 1 425 . 1 1 48 48 THR HG23 H 1 1.400 0.02 . 1 . . . . . . . . 5758 1 426 . 1 1 49 49 PRO CA C 13 61.059 0.20 . 1 . . . . . . . . 5758 1 427 . 1 1 49 49 PRO HA H 1 4.710 0.02 . 1 . . . . . . . . 5758 1 428 . 1 1 49 49 PRO CB C 13 32.407 0.20 . 1 . . . . . . . . 5758 1 429 . 1 1 49 49 PRO HB2 H 1 1.460 0.02 . 2 . . . . . . . . 5758 1 430 . 1 1 49 49 PRO HB3 H 1 1.250 0.02 . 2 . . . . . . . . 5758 1 431 . 1 1 49 49 PRO CD C 13 50.460 0.20 . 1 . . . . . . . . 5758 1 432 . 1 1 49 49 PRO HD2 H 1 3.160 0.02 . 2 . . . . . . . . 5758 1 433 . 1 1 49 49 PRO HD3 H 1 3.550 0.02 . 2 . . . . . . . . 5758 1 434 . 1 1 49 49 PRO C C 13 173.772 0.20 . 1 . . . . . . . . 5758 1 435 . 1 1 50 50 ASP N N 15 115.770 0.20 . 1 . . . . . . . . 5758 1 436 . 1 1 50 50 ASP H H 1 7.448 0.02 . 1 . . . . . . . . 5758 1 437 . 1 1 50 50 ASP CA C 13 53.257 0.20 . 1 . . . . . . . . 5758 1 438 . 1 1 50 50 ASP HA H 1 4.566 0.02 . 1 . . . . . . . . 5758 1 439 . 1 1 50 50 ASP CB C 13 39.584 0.20 . 1 . . . . . . . . 5758 1 440 . 1 1 50 50 ASP HB2 H 1 2.593 0.02 . 2 . . . . . . . . 5758 1 441 . 1 1 50 50 ASP HB3 H 1 2.900 0.02 . 2 . . . . . . . . 5758 1 442 . 1 1 50 50 ASP C C 13 177.556 0.20 . 1 . . . . . . . . 5758 1 443 . 1 1 51 51 TRP N N 15 128.346 0.20 . 1 . . . . . . . . 5758 1 444 . 1 1 51 51 TRP H H 1 8.049 0.02 . 1 . . . . . . . . 5758 1 445 . 1 1 51 51 TRP CA C 13 59.873 0.20 . 1 . . . . . . . . 5758 1 446 . 1 1 51 51 TRP HA H 1 4.360 0.02 . 1 . . . . . . . . 5758 1 447 . 1 1 51 51 TRP CB C 13 29.396 0.20 . 1 . . . . . . . . 5758 1 448 . 1 1 51 51 TRP HB2 H 1 3.160 0.02 . 2 . . . . . . . . 5758 1 449 . 1 1 51 51 TRP HB3 H 1 3.520 0.02 . 2 . . . . . . . . 5758 1 450 . 1 1 51 51 TRP HD1 H 1 7.420 0.02 . 1 . . . . . . . . 5758 1 451 . 1 1 51 51 TRP NE1 N 15 129.600 0.20 . 1 . . . . . . . . 5758 1 452 . 1 1 51 51 TRP HE1 H 1 10.308 0.02 . 2 . . . . . . . . 5758 1 453 . 1 1 51 51 TRP HZ2 H 1 7.580 0.02 . 2 . . . . . . . . 5758 1 454 . 1 1 51 51 TRP HH2 H 1 6.810 0.02 . 1 . . . . . . . . 5758 1 455 . 1 1 51 51 TRP HZ3 H 1 7.020 0.02 . 2 . . . . . . . . 5758 1 456 . 1 1 51 51 TRP HE3 H 1 7.310 0.02 . 2 . . . . . . . . 5758 1 457 . 1 1 51 51 TRP C C 13 178.209 0.20 . 1 . . . . . . . . 5758 1 458 . 1 1 52 52 ASN N N 15 117.372 0.20 . 1 . . . . . . . . 5758 1 459 . 1 1 52 52 ASN H H 1 8.718 0.02 . 1 . . . . . . . . 5758 1 460 . 1 1 52 52 ASN CA C 13 56.498 0.20 . 1 . . . . . . . . 5758 1 461 . 1 1 52 52 ASN HA H 1 4.640 0.02 . 1 . . . . . . . . 5758 1 462 . 1 1 52 52 ASN CB C 13 37.826 0.20 . 1 . . . . . . . . 5758 1 463 . 1 1 52 52 ASN HB2 H 1 3.128 0.02 . 2 . . . . . . . . 5758 1 464 . 1 1 52 52 ASN HB3 H 1 2.796 0.02 . 2 . . . . . . . . 5758 1 465 . 1 1 52 52 ASN ND2 N 15 115.241 0.20 . 1 . . . . . . . . 5758 1 466 . 1 1 52 52 ASN HD21 H 1 7.080 0.02 . 2 . . . . . . . . 5758 1 467 . 1 1 52 52 ASN HD22 H 1 8.100 0.02 . 2 . . . . . . . . 5758 1 468 . 1 1 52 52 ASN C C 13 178.458 0.20 . 1 . . . . . . . . 5758 1 469 . 1 1 53 53 ILE N N 15 120.929 0.20 . 1 . . . . . . . . 5758 1 470 . 1 1 53 53 ILE H H 1 7.642 0.02 . 1 . . . . . . . . 5758 1 471 . 1 1 53 53 ILE CA C 13 64.169 0.20 . 1 . . . . . . . . 5758 1 472 . 1 1 53 53 ILE HA H 1 3.740 0.02 . 1 . . . . . . . . 5758 1 473 . 1 1 53 53 ILE CB C 13 37.238 0.20 . 1 . . . . . . . . 5758 1 474 . 1 1 53 53 ILE HB H 1 2.065 0.02 . 1 . . . . . . . . 5758 1 475 . 1 1 53 53 ILE CG1 C 13 28.900 0.20 . 2 . . . . . . . . 5758 1 476 . 1 1 53 53 ILE HG12 H 1 1.640 0.02 . 9 . . . . . . . . 5758 1 477 . 1 1 53 53 ILE HG13 H 1 1.210 0.02 . 9 . . . . . . . . 5758 1 478 . 1 1 53 53 ILE CD1 C 13 12.689 0.20 . 1 . . . . . . . . 5758 1 479 . 1 1 53 53 ILE HD11 H 1 0.986 0.02 . 1 . . . . . . . . 5758 1 480 . 1 1 53 53 ILE HD12 H 1 0.986 0.02 . 1 . . . . . . . . 5758 1 481 . 1 1 53 53 ILE HD13 H 1 0.986 0.02 . 1 . . . . . . . . 5758 1 482 . 1 1 53 53 ILE CG2 C 13 17.291 0.20 . 2 . . . . . . . . 5758 1 483 . 1 1 53 53 ILE HG21 H 1 0.990 0.02 . 4 . . . . . . . . 5758 1 484 . 1 1 53 53 ILE HG22 H 1 0.990 0.02 . 4 . . . . . . . . 5758 1 485 . 1 1 53 53 ILE HG23 H 1 0.990 0.02 . 4 . . . . . . . . 5758 1 486 . 1 1 53 53 ILE C C 13 178.374 0.20 . 1 . . . . . . . . 5758 1 487 . 1 1 54 54 ILE N N 15 118.784 0.20 . 1 . . . . . . . . 5758 1 488 . 1 1 54 54 ILE H H 1 6.969 0.02 . 1 . . . . . . . . 5758 1 489 . 1 1 54 54 ILE CA C 13 65.240 0.20 . 1 . . . . . . . . 5758 1 490 . 1 1 54 54 ILE HA H 1 3.685 0.02 . 1 . . . . . . . . 5758 1 491 . 1 1 54 54 ILE CB C 13 36.790 0.20 . 1 . . . . . . . . 5758 1 492 . 1 1 54 54 ILE HB H 1 2.280 0.02 . 1 . . . . . . . . 5758 1 493 . 1 1 54 54 ILE CG1 C 13 29.200 0.20 . 2 . . . . . . . . 5758 1 494 . 1 1 54 54 ILE HG12 H 1 1.590 0.02 . 9 . . . . . . . . 5758 1 495 . 1 1 54 54 ILE HG13 H 1 1.137 0.02 . 9 . . . . . . . . 5758 1 496 . 1 1 54 54 ILE CD1 C 13 12.190 0.20 . 1 . . . . . . . . 5758 1 497 . 1 1 54 54 ILE HD11 H 1 0.565 0.02 . 1 . . . . . . . . 5758 1 498 . 1 1 54 54 ILE HD12 H 1 0.565 0.02 . 1 . . . . . . . . 5758 1 499 . 1 1 54 54 ILE HD13 H 1 0.565 0.02 . 1 . . . . . . . . 5758 1 500 . 1 1 54 54 ILE CG2 C 13 17.730 0.20 . 2 . . . . . . . . 5758 1 501 . 1 1 54 54 ILE HG21 H 1 0.822 0.02 . 4 . . . . . . . . 5758 1 502 . 1 1 54 54 ILE HG22 H 1 0.822 0.02 . 4 . . . . . . . . 5758 1 503 . 1 1 54 54 ILE HG23 H 1 0.822 0.02 . 4 . . . . . . . . 5758 1 504 . 1 1 54 54 ILE C C 13 176.669 0.20 . 1 . . . . . . . . 5758 1 505 . 1 1 55 55 GLU N N 15 119.757 0.20 . 1 . . . . . . . . 5758 1 506 . 1 1 55 55 GLU H H 1 8.468 0.02 . 1 . . . . . . . . 5758 1 507 . 1 1 55 55 GLU CA C 13 60.052 0.20 . 1 . . . . . . . . 5758 1 508 . 1 1 55 55 GLU HA H 1 3.410 0.02 . 1 . . . . . . . . 5758 1 509 . 1 1 55 55 GLU CB C 13 29.574 0.20 . 1 . . . . . . . . 5758 1 510 . 1 1 55 55 GLU HB2 H 1 2.310 0.02 . 2 . . . . . . . . 5758 1 511 . 1 1 55 55 GLU HB3 H 1 2.410 0.02 . 2 . . . . . . . . 5758 1 512 . 1 1 55 55 GLU CG C 13 36.600 0.20 . 1 . . . . . . . . 5758 1 513 . 1 1 55 55 GLU HG2 H 1 2.230 0.02 . 1 . . . . . . . . 5758 1 514 . 1 1 55 55 GLU HG3 H 1 2.230 0.02 . 1 . . . . . . . . 5758 1 515 . 1 1 55 55 GLU C C 13 178.323 0.20 . 1 . . . . . . . . 5758 1 516 . 1 1 56 56 ARG N N 15 118.007 0.20 . 1 . . . . . . . . 5758 1 517 . 1 1 56 56 ARG H H 1 7.678 0.02 . 1 . . . . . . . . 5758 1 518 . 1 1 56 56 ARG CA C 13 59.604 0.20 . 1 . . . . . . . . 5758 1 519 . 1 1 56 56 ARG HA H 1 3.997 0.02 . 1 . . . . . . . . 5758 1 520 . 1 1 56 56 ARG CB C 13 29.613 0.20 . 1 . . . . . . . . 5758 1 521 . 1 1 56 56 ARG HB2 H 1 1.980 0.02 . 1 . . . . . . . . 5758 1 522 . 1 1 56 56 ARG HB3 H 1 1.980 0.02 . 1 . . . . . . . . 5758 1 523 . 1 1 56 56 ARG CG C 13 27.680 0.20 . 1 . . . . . . . . 5758 1 524 . 1 1 56 56 ARG HG2 H 1 1.640 0.02 . 1 . . . . . . . . 5758 1 525 . 1 1 56 56 ARG HG3 H 1 1.640 0.02 . 1 . . . . . . . . 5758 1 526 . 1 1 56 56 ARG CD C 13 43.350 0.20 . 1 . . . . . . . . 5758 1 527 . 1 1 56 56 ARG HD2 H 1 3.189 0.02 . 1 . . . . . . . . 5758 1 528 . 1 1 56 56 ARG HD3 H 1 3.189 0.02 . 1 . . . . . . . . 5758 1 529 . 1 1 56 56 ARG C C 13 179.047 0.20 . 1 . . . . . . . . 5758 1 530 . 1 1 57 57 LEU N N 15 120.830 0.20 . 1 . . . . . . . . 5758 1 531 . 1 1 57 57 LEU H H 1 8.101 0.02 . 1 . . . . . . . . 5758 1 532 . 1 1 57 57 LEU CA C 13 58.170 0.20 . 1 . . . . . . . . 5758 1 533 . 1 1 57 57 LEU HA H 1 4.380 0.02 . 1 . . . . . . . . 5758 1 534 . 1 1 57 57 LEU CB C 13 42.872 0.20 . 1 . . . . . . . . 5758 1 535 . 1 1 57 57 LEU HB2 H 1 1.470 0.02 . 2 . . . . . . . . 5758 1 536 . 1 1 57 57 LEU HB3 H 1 2.250 0.02 . 2 . . . . . . . . 5758 1 537 . 1 1 57 57 LEU CG C 13 27.000 0.20 . 1 . . . . . . . . 5758 1 538 . 1 1 57 57 LEU HG H 1 1.980 0.02 . 1 . . . . . . . . 5758 1 539 . 1 1 57 57 LEU CD1 C 13 26.759 0.20 . 2 . . . . . . . . 5758 1 540 . 1 1 57 57 LEU HD11 H 1 1.075 0.02 . 1 . . . . . . . . 5758 1 541 . 1 1 57 57 LEU HD12 H 1 1.075 0.02 . 1 . . . . . . . . 5758 1 542 . 1 1 57 57 LEU HD13 H 1 1.075 0.02 . 1 . . . . . . . . 5758 1 543 . 1 1 57 57 LEU CD2 C 13 24.494 0.20 . 2 . . . . . . . . 5758 1 544 . 1 1 57 57 LEU HD21 H 1 1.103 0.02 . 1 . . . . . . . . 5758 1 545 . 1 1 57 57 LEU HD22 H 1 1.103 0.02 . 1 . . . . . . . . 5758 1 546 . 1 1 57 57 LEU HD23 H 1 1.103 0.02 . 1 . . . . . . . . 5758 1 547 . 1 1 57 57 LEU C C 13 179.372 0.20 . 1 . . . . . . . . 5758 1 548 . 1 1 58 58 LEU N N 15 118.911 0.20 . 1 . . . . . . . . 5758 1 549 . 1 1 58 58 LEU H H 1 8.109 0.02 . 1 . . . . . . . . 5758 1 550 . 1 1 58 58 LEU CA C 13 58.600 0.20 . 1 . . . . . . . . 5758 1 551 . 1 1 58 58 LEU HA H 1 3.760 0.02 . 1 . . . . . . . . 5758 1 552 . 1 1 58 58 LEU CB C 13 39.160 0.20 . 1 . . . . . . . . 5758 1 553 . 1 1 58 58 LEU HB2 H 1 1.640 0.02 . 2 . . . . . . . . 5758 1 554 . 1 1 58 58 LEU HB3 H 1 1.906 0.02 . 2 . . . . . . . . 5758 1 555 . 1 1 58 58 LEU CG C 13 28.400 0.20 . 1 . . . . . . . . 5758 1 556 . 1 1 58 58 LEU HG H 1 1.600 0.02 . 1 . . . . . . . . 5758 1 557 . 1 1 58 58 LEU CD1 C 13 24.644 0.20 . 1 . . . . . . . . 5758 1 558 . 1 1 58 58 LEU HD11 H 1 0.400 0.02 . 2 . . . . . . . . 5758 1 559 . 1 1 58 58 LEU HD12 H 1 0.400 0.02 . 2 . . . . . . . . 5758 1 560 . 1 1 58 58 LEU HD13 H 1 0.400 0.02 . 2 . . . . . . . . 5758 1 561 . 1 1 58 58 LEU CD2 C 13 24.140 0.20 . 1 . . . . . . . . 5758 1 562 . 1 1 58 58 LEU HD21 H 1 0.573 0.02 . 2 . . . . . . . . 5758 1 563 . 1 1 58 58 LEU HD22 H 1 0.573 0.02 . 2 . . . . . . . . 5758 1 564 . 1 1 58 58 LEU HD23 H 1 0.573 0.02 . 2 . . . . . . . . 5758 1 565 . 1 1 58 58 LEU C C 13 180.642 0.20 . 1 . . . . . . . . 5758 1 566 . 1 1 59 59 LYS N N 15 120.178 0.20 . 1 . . . . . . . . 5758 1 567 . 1 1 59 59 LYS H H 1 8.001 0.02 . 1 . . . . . . . . 5758 1 568 . 1 1 59 59 LYS CA C 13 58.980 0.20 . 1 . . . . . . . . 5758 1 569 . 1 1 59 59 LYS HA H 1 4.100 0.02 . 1 . . . . . . . . 5758 1 570 . 1 1 59 59 LYS CB C 13 32.660 0.20 . 1 . . . . . . . . 5758 1 571 . 1 1 59 59 LYS HB2 H 1 1.880 0.02 . 1 . . . . . . . . 5758 1 572 . 1 1 59 59 LYS HB3 H 1 1.880 0.02 . 1 . . . . . . . . 5758 1 573 . 1 1 59 59 LYS CG C 13 28.700 0.20 . 1 . . . . . . . . 5758 1 574 . 1 1 59 59 LYS HG2 H 1 1.630 0.02 . 1 . . . . . . . . 5758 1 575 . 1 1 59 59 LYS HG3 H 1 1.630 0.02 . 1 . . . . . . . . 5758 1 576 . 1 1 59 59 LYS CD C 13 25.500 0.20 . 1 . . . . . . . . 5758 1 577 . 1 1 59 59 LYS HD2 H 1 1.420 0.02 . 2 . . . . . . . . 5758 1 578 . 1 1 59 59 LYS HD3 H 1 1.560 0.02 . 2 . . . . . . . . 5758 1 579 . 1 1 59 59 LYS CE C 13 42.620 0.20 . 1 . . . . . . . . 5758 1 580 . 1 1 59 59 LYS HE2 H 1 2.880 0.02 . 1 . . . . . . . . 5758 1 581 . 1 1 59 59 LYS HE3 H 1 2.880 0.02 . 1 . . . . . . . . 5758 1 582 . 1 1 59 59 LYS C C 13 178.345 0.20 . 1 . . . . . . . . 5758 1 583 . 1 1 60 60 GLU N N 15 118.289 0.20 . 1 . . . . . . . . 5758 1 584 . 1 1 60 60 GLU H H 1 8.159 0.02 . 1 . . . . . . . . 5758 1 585 . 1 1 60 60 GLU CA C 13 58.959 0.20 . 1 . . . . . . . . 5758 1 586 . 1 1 60 60 GLU HA H 1 3.821 0.02 . 1 . . . . . . . . 5758 1 587 . 1 1 60 60 GLU CB C 13 30.267 0.20 . 1 . . . . . . . . 5758 1 588 . 1 1 60 60 GLU HB2 H 1 1.530 0.02 . 2 . . . . . . . . 5758 1 589 . 1 1 60 60 GLU HB3 H 1 1.870 0.02 . 2 . . . . . . . . 5758 1 590 . 1 1 60 60 GLU CG C 13 35.530 0.20 . 1 . . . . . . . . 5758 1 591 . 1 1 60 60 GLU HG2 H 1 1.280 0.02 . 2 . . . . . . . . 5758 1 592 . 1 1 60 60 GLU HG3 H 1 1.750 0.02 . 2 . . . . . . . . 5758 1 593 . 1 1 60 60 GLU C C 13 178.345 0.20 . 1 . . . . . . . . 5758 1 594 . 1 1 61 61 TRP N N 15 115.163 0.20 . 1 . . . . . . . . 5758 1 595 . 1 1 61 61 TRP H H 1 7.937 0.02 . 1 . . . . . . . . 5758 1 596 . 1 1 61 61 TRP CA C 13 57.900 0.20 . 1 . . . . . . . . 5758 1 597 . 1 1 61 61 TRP HA H 1 4.560 0.02 . 1 . . . . . . . . 5758 1 598 . 1 1 61 61 TRP CB C 13 30.506 0.20 . 1 . . . . . . . . 5758 1 599 . 1 1 61 61 TRP HB2 H 1 2.870 0.02 . 2 . . . . . . . . 5758 1 600 . 1 1 61 61 TRP HB3 H 1 2.960 0.02 . 2 . . . . . . . . 5758 1 601 . 1 1 61 61 TRP HD1 H 1 7.390 0.02 . 1 . . . . . . . . 5758 1 602 . 1 1 61 61 TRP NE1 N 15 128.800 0.20 . 1 . . . . . . . . 5758 1 603 . 1 1 61 61 TRP HE1 H 1 10.027 0.02 . 2 . . . . . . . . 5758 1 604 . 1 1 61 61 TRP HZ2 H 1 7.370 0.02 . 2 . . . . . . . . 5758 1 605 . 1 1 61 61 TRP HH2 H 1 7.060 0.02 . 1 . . . . . . . . 5758 1 606 . 1 1 61 61 TRP HZ3 H 1 6.980 0.02 . 2 . . . . . . . . 5758 1 607 . 1 1 61 61 TRP HE3 H 1 7.600 0.02 . 2 . . . . . . . . 5758 1 608 . 1 1 61 61 TRP C C 13 175.410 0.20 . 1 . . . . . . . . 5758 1 609 . 1 1 62 62 GLN N N 15 113.761 0.20 . 1 . . . . . . . . 5758 1 610 . 1 1 62 62 GLN H H 1 8.000 0.02 . 1 . . . . . . . . 5758 1 611 . 1 1 62 62 GLN CA C 13 55.429 0.20 . 1 . . . . . . . . 5758 1 612 . 1 1 62 62 GLN HA H 1 4.121 0.02 . 1 . . . . . . . . 5758 1 613 . 1 1 62 62 GLN CB C 13 27.824 0.20 . 1 . . . . . . . . 5758 1 614 . 1 1 62 62 GLN HB2 H 1 2.050 0.02 . 2 . . . . . . . . 5758 1 615 . 1 1 62 62 GLN HB3 H 1 2.030 0.02 . 2 . . . . . . . . 5758 1 616 . 1 1 62 62 GLN CG C 13 36.280 0.20 . 1 . . . . . . . . 5758 1 617 . 1 1 62 62 GLN HG2 H 1 2.270 0.02 . 1 . . . . . . . . 5758 1 618 . 1 1 62 62 GLN HG3 H 1 2.270 0.02 . 1 . . . . . . . . 5758 1 619 . 1 1 63 63 PRO CA C 13 62.414 0.20 . 1 . . . . . . . . 5758 1 620 . 1 1 63 63 PRO HA H 1 4.430 0.02 . 1 . . . . . . . . 5758 1 621 . 1 1 63 63 PRO CB C 13 32.795 0.20 . 1 . . . . . . . . 5758 1 622 . 1 1 63 63 PRO HD2 H 1 3.800 0.02 . 2 . . . . . . . . 5758 1 623 . 1 1 63 63 PRO C C 13 176.978 0.20 . 1 . . . . . . . . 5758 1 624 . 1 1 64 64 ASP N N 15 120.232 0.20 . 1 . . . . . . . . 5758 1 625 . 1 1 64 64 ASP H H 1 9.149 0.02 . 1 . . . . . . . . 5758 1 626 . 1 1 64 64 ASP CA C 13 56.448 0.20 . 1 . . . . . . . . 5758 1 627 . 1 1 64 64 ASP HA H 1 4.562 0.02 . 1 . . . . . . . . 5758 1 628 . 1 1 64 64 ASP CB C 13 41.935 0.20 . 1 . . . . . . . . 5758 1 629 . 1 1 64 64 ASP HB2 H 1 2.520 0.02 . 2 . . . . . . . . 5758 1 630 . 1 1 64 64 ASP HB3 H 1 2.880 0.02 . 2 . . . . . . . . 5758 1 631 . 1 1 64 64 ASP C C 13 176.774 0.20 . 1 . . . . . . . . 5758 1 632 . 1 1 65 65 GLU N N 15 111.978 0.20 . 1 . . . . . . . . 5758 1 633 . 1 1 65 65 GLU H H 1 7.302 0.02 . 1 . . . . . . . . 5758 1 634 . 1 1 65 65 GLU CA C 13 54.352 0.20 . 1 . . . . . . . . 5758 1 635 . 1 1 65 65 GLU HA H 1 4.667 0.02 . 1 . . . . . . . . 5758 1 636 . 1 1 65 65 GLU CB C 13 33.791 0.20 . 1 . . . . . . . . 5758 1 637 . 1 1 65 65 GLU HB2 H 1 1.719 0.02 . 2 . . . . . . . . 5758 1 638 . 1 1 65 65 GLU HB3 H 1 1.940 0.02 . 2 . . . . . . . . 5758 1 639 . 1 1 65 65 GLU CG C 13 35.900 0.20 . 1 . . . . . . . . 5758 1 640 . 1 1 65 65 GLU HG2 H 1 2.083 0.02 . 2 . . . . . . . . 5758 1 641 . 1 1 65 65 GLU HG3 H 1 1.930 0.02 . 2 . . . . . . . . 5758 1 642 . 1 1 65 65 GLU C C 13 173.620 0.20 . 1 . . . . . . . . 5758 1 643 . 1 1 66 66 ILE N N 15 120.549 0.20 . 1 . . . . . . . . 5758 1 644 . 1 1 66 66 ILE H H 1 8.490 0.02 . 1 . . . . . . . . 5758 1 645 . 1 1 66 66 ILE CA C 13 58.590 0.20 . 1 . . . . . . . . 5758 1 646 . 1 1 66 66 ILE HA H 1 4.926 0.02 . 1 . . . . . . . . 5758 1 647 . 1 1 66 66 ILE CB C 13 40.092 0.20 . 1 . . . . . . . . 5758 1 648 . 1 1 66 66 ILE HB H 1 1.820 0.02 . 1 . . . . . . . . 5758 1 649 . 1 1 66 66 ILE CG1 C 13 28.600 0.20 . 2 . . . . . . . . 5758 1 650 . 1 1 66 66 ILE HG12 H 1 1.430 0.02 . 9 . . . . . . . . 5758 1 651 . 1 1 66 66 ILE HG13 H 1 1.030 0.02 . 9 . . . . . . . . 5758 1 652 . 1 1 66 66 ILE CD1 C 13 14.670 0.20 . 1 . . . . . . . . 5758 1 653 . 1 1 66 66 ILE HD11 H 1 0.785 0.02 . 1 . . . . . . . . 5758 1 654 . 1 1 66 66 ILE HD12 H 1 0.785 0.02 . 1 . . . . . . . . 5758 1 655 . 1 1 66 66 ILE HD13 H 1 0.785 0.02 . 1 . . . . . . . . 5758 1 656 . 1 1 66 66 ILE CG2 C 13 19.020 0.20 . 2 . . . . . . . . 5758 1 657 . 1 1 66 66 ILE HG21 H 1 0.885 0.02 . 4 . . . . . . . . 5758 1 658 . 1 1 66 66 ILE HG22 H 1 0.885 0.02 . 4 . . . . . . . . 5758 1 659 . 1 1 66 66 ILE HG23 H 1 0.885 0.02 . 4 . . . . . . . . 5758 1 660 . 1 1 66 66 ILE C C 13 173.315 0.20 . 1 . . . . . . . . 5758 1 661 . 1 1 67 67 ILE N N 15 127.044 0.20 . 1 . . . . . . . . 5758 1 662 . 1 1 67 67 ILE H H 1 8.920 0.02 . 1 . . . . . . . . 5758 1 663 . 1 1 67 67 ILE CA C 13 57.791 0.20 . 1 . . . . . . . . 5758 1 664 . 1 1 67 67 ILE HA H 1 4.861 0.02 . 1 . . . . . . . . 5758 1 665 . 1 1 67 67 ILE CB C 13 37.930 0.20 . 1 . . . . . . . . 5758 1 666 . 1 1 67 67 ILE HB H 1 1.430 0.02 . 1 . . . . . . . . 5758 1 667 . 1 1 67 67 ILE CG1 C 13 28.430 0.20 . 2 . . . . . . . . 5758 1 668 . 1 1 67 67 ILE HG12 H 1 0.260 0.02 . 9 . . . . . . . . 5758 1 669 . 1 1 67 67 ILE HG13 H 1 0.730 0.02 . 9 . . . . . . . . 5758 1 670 . 1 1 67 67 ILE CD1 C 13 11.000 0.20 . 1 . . . . . . . . 5758 1 671 . 1 1 67 67 ILE HD11 H 1 -0.185 0.02 . 1 . . . . . . . . 5758 1 672 . 1 1 67 67 ILE HD12 H 1 -0.185 0.02 . 1 . . . . . . . . 5758 1 673 . 1 1 67 67 ILE HD13 H 1 -0.185 0.02 . 1 . . . . . . . . 5758 1 674 . 1 1 67 67 ILE CG2 C 13 18.820 0.20 . 2 . . . . . . . . 5758 1 675 . 1 1 67 67 ILE HG21 H 1 0.290 0.02 . 4 . . . . . . . . 5758 1 676 . 1 1 67 67 ILE HG22 H 1 0.290 0.02 . 4 . . . . . . . . 5758 1 677 . 1 1 67 67 ILE HG23 H 1 0.290 0.02 . 4 . . . . . . . . 5758 1 678 . 1 1 67 67 ILE C C 13 175.062 0.20 . 1 . . . . . . . . 5758 1 679 . 1 1 68 68 VAL N N 15 126.604 0.20 . 1 . . . . . . . . 5758 1 680 . 1 1 68 68 VAL H H 1 8.914 0.02 . 1 . . . . . . . . 5758 1 681 . 1 1 68 68 VAL CA C 13 60.167 0.20 . 1 . . . . . . . . 5758 1 682 . 1 1 68 68 VAL HA H 1 5.108 0.02 . 1 . . . . . . . . 5758 1 683 . 1 1 68 68 VAL CB C 13 34.702 0.20 . 1 . . . . . . . . 5758 1 684 . 1 1 68 68 VAL HB H 1 1.900 0.02 . 1 . . . . . . . . 5758 1 685 . 1 1 68 68 VAL CG2 C 13 23.126 0.20 . 1 . . . . . . . . 5758 1 686 . 1 1 68 68 VAL HG21 H 1 1.010 0.02 . 2 . . . . . . . . 5758 1 687 . 1 1 68 68 VAL HG22 H 1 1.010 0.02 . 2 . . . . . . . . 5758 1 688 . 1 1 68 68 VAL HG23 H 1 1.010 0.02 . 2 . . . . . . . . 5758 1 689 . 1 1 68 68 VAL CG1 C 13 20.749 0.20 . 1 . . . . . . . . 5758 1 690 . 1 1 68 68 VAL HG11 H 1 1.298 0.02 . 2 . . . . . . . . 5758 1 691 . 1 1 68 68 VAL HG12 H 1 1.298 0.02 . 2 . . . . . . . . 5758 1 692 . 1 1 68 68 VAL HG13 H 1 1.298 0.02 . 2 . . . . . . . . 5758 1 693 . 1 1 68 68 VAL C C 13 176.423 0.20 . 1 . . . . . . . . 5758 1 694 . 1 1 69 69 GLY N N 15 113.048 0.20 . 1 . . . . . . . . 5758 1 695 . 1 1 69 69 GLY H H 1 8.326 0.02 . 1 . . . . . . . . 5758 1 696 . 1 1 69 69 GLY CA C 13 46.061 0.20 . 1 . . . . . . . . 5758 1 697 . 1 1 69 69 GLY HA2 H 1 3.985 0.02 . 2 . . . . . . . . 5758 1 698 . 1 1 69 69 GLY HA3 H 1 4.301 0.02 . 2 . . . . . . . . 5758 1 699 . 1 1 69 69 GLY C C 13 172.497 0.20 . 1 . . . . . . . . 5758 1 700 . 1 1 70 70 LEU N N 15 125.728 0.20 . 1 . . . . . . . . 5758 1 701 . 1 1 70 70 LEU H H 1 8.507 0.02 . 1 . . . . . . . . 5758 1 702 . 1 1 70 70 LEU CA C 13 50.520 0.20 . 1 . . . . . . . . 5758 1 703 . 1 1 70 70 LEU HA H 1 5.030 0.02 . 1 . . . . . . . . 5758 1 704 . 1 1 70 70 LEU CB C 13 43.700 0.20 . 1 . . . . . . . . 5758 1 705 . 1 1 70 70 LEU HB2 H 1 1.850 0.02 . 2 . . . . . . . . 5758 1 706 . 1 1 70 70 LEU CD1 C 13 25.050 0.20 . 1 . . . . . . . . 5758 1 707 . 1 1 70 70 LEU HD11 H 1 0.870 0.02 . 2 . . . . . . . . 5758 1 708 . 1 1 70 70 LEU HD12 H 1 0.870 0.02 . 2 . . . . . . . . 5758 1 709 . 1 1 70 70 LEU HD13 H 1 0.870 0.02 . 2 . . . . . . . . 5758 1 710 . 1 1 70 70 LEU CD2 C 13 26.200 0.20 . 1 . . . . . . . . 5758 1 711 . 1 1 70 70 LEU HD21 H 1 0.840 0.02 . 2 . . . . . . . . 5758 1 712 . 1 1 70 70 LEU HD22 H 1 0.840 0.02 . 2 . . . . . . . . 5758 1 713 . 1 1 70 70 LEU HD23 H 1 0.840 0.02 . 2 . . . . . . . . 5758 1 714 . 1 1 71 71 PRO CA C 13 62.340 0.20 . 1 . . . . . . . . 5758 1 715 . 1 1 71 71 PRO HA H 1 4.170 0.02 . 1 . . . . . . . . 5758 1 716 . 1 1 71 71 PRO CB C 13 31.445 0.20 . 1 . . . . . . . . 5758 1 717 . 1 1 71 71 PRO HB2 H 1 2.170 0.02 . 2 . . . . . . . . 5758 1 718 . 1 1 71 71 PRO HB3 H 1 1.820 0.02 . 2 . . . . . . . . 5758 1 719 . 1 1 71 71 PRO C C 13 176.039 0.20 . 1 . . . . . . . . 5758 1 720 . 1 1 72 72 LEU N N 15 123.764 0.20 . 1 . . . . . . . . 5758 1 721 . 1 1 72 72 LEU H H 1 7.899 0.02 . 1 . . . . . . . . 5758 1 722 . 1 1 72 72 LEU CA C 13 54.030 0.20 . 1 . . . . . . . . 5758 1 723 . 1 1 72 72 LEU HA H 1 4.550 0.02 . 1 . . . . . . . . 5758 1 724 . 1 1 72 72 LEU CB C 13 47.541 0.20 . 1 . . . . . . . . 5758 1 725 . 1 1 72 72 LEU HB2 H 1 1.390 0.02 . 1 . . . . . . . . 5758 1 726 . 1 1 72 72 LEU HB3 H 1 1.390 0.02 . 1 . . . . . . . . 5758 1 727 . 1 1 72 72 LEU HD11 H 1 0.710 0.02 . 1 . . . . . . . . 5758 1 728 . 1 1 72 72 LEU HD12 H 1 0.710 0.02 . 1 . . . . . . . . 5758 1 729 . 1 1 72 72 LEU HD13 H 1 0.710 0.02 . 1 . . . . . . . . 5758 1 730 . 1 1 72 72 LEU CD2 C 13 26.000 0.20 . 2 . . . . . . . . 5758 1 731 . 1 1 72 72 LEU HD21 H 1 0.770 0.02 . 1 . . . . . . . . 5758 1 732 . 1 1 72 72 LEU HD22 H 1 0.770 0.02 . 1 . . . . . . . . 5758 1 733 . 1 1 72 72 LEU HD23 H 1 0.770 0.02 . 1 . . . . . . . . 5758 1 734 . 1 1 72 72 LEU C C 13 177.079 0.20 . 1 . . . . . . . . 5758 1 735 . 1 1 73 73 ASN N N 15 116.561 0.20 . 1 . . . . . . . . 5758 1 736 . 1 1 73 73 ASN H H 1 8.602 0.02 . 1 . . . . . . . . 5758 1 737 . 1 1 73 73 ASN CA C 13 53.510 0.20 . 1 . . . . . . . . 5758 1 738 . 1 1 73 73 ASN HA H 1 4.780 0.02 . 1 . . . . . . . . 5758 1 739 . 1 1 73 73 ASN CB C 13 39.143 0.20 . 1 . . . . . . . . 5758 1 740 . 1 1 73 73 ASN HB2 H 1 2.810 0.02 . 1 . . . . . . . . 5758 1 741 . 1 1 73 73 ASN HB3 H 1 2.810 0.02 . 1 . . . . . . . . 5758 1 742 . 1 1 73 73 ASN ND2 N 15 116.909 0.20 . 1 . . . . . . . . 5758 1 743 . 1 1 73 73 ASN HD21 H 1 7.460 0.02 . 2 . . . . . . . . 5758 1 744 . 1 1 73 73 ASN HD22 H 1 6.790 0.02 . 2 . . . . . . . . 5758 1 745 . 1 1 74 74 MET CA C 13 58.308 0.20 . 1 . . . . . . . . 5758 1 746 . 1 1 74 74 MET HA H 1 4.130 0.02 . 1 . . . . . . . . 5758 1 747 . 1 1 74 74 MET CB C 13 31.610 0.20 . 1 . . . . . . . . 5758 1 748 . 1 1 74 74 MET HB2 H 1 2.650 0.02 . 2 . . . . . . . . 5758 1 749 . 1 1 74 74 MET HB3 H 1 2.550 0.02 . 2 . . . . . . . . 5758 1 750 . 1 1 74 74 MET HG2 H 1 3.250 0.02 . 2 . . . . . . . . 5758 1 751 . 1 1 74 74 MET CE C 13 16.590 0.20 . 1 . . . . . . . . 5758 1 752 . 1 1 74 74 MET HE1 H 1 2.040 0.02 . 1 . . . . . . . . 5758 1 753 . 1 1 74 74 MET HE2 H 1 2.040 0.02 . 1 . . . . . . . . 5758 1 754 . 1 1 74 74 MET HE3 H 1 2.040 0.02 . 1 . . . . . . . . 5758 1 755 . 1 1 74 74 MET C C 13 176.970 0.20 . 1 . . . . . . . . 5758 1 756 . 1 1 75 75 ASP N N 15 115.789 0.20 . 1 . . . . . . . . 5758 1 757 . 1 1 75 75 ASP H H 1 7.813 0.02 . 1 . . . . . . . . 5758 1 758 . 1 1 75 75 ASP CA C 13 53.059 0.20 . 1 . . . . . . . . 5758 1 759 . 1 1 75 75 ASP HA H 1 4.470 0.02 . 1 . . . . . . . . 5758 1 760 . 1 1 75 75 ASP CB C 13 39.672 0.20 . 1 . . . . . . . . 5758 1 761 . 1 1 75 75 ASP HB2 H 1 3.066 0.02 . 2 . . . . . . . . 5758 1 762 . 1 1 75 75 ASP HB3 H 1 2.569 0.02 . 2 . . . . . . . . 5758 1 763 . 1 1 75 75 ASP C C 13 177.233 0.20 . 1 . . . . . . . . 5758 1 764 . 1 1 76 76 GLY N N 15 108.279 0.20 . 1 . . . . . . . . 5758 1 765 . 1 1 76 76 GLY H H 1 8.209 0.02 . 1 . . . . . . . . 5758 1 766 . 1 1 76 76 GLY CA C 13 45.126 0.20 . 1 . . . . . . . . 5758 1 767 . 1 1 76 76 GLY HA2 H 1 3.381 0.02 . 2 . . . . . . . . 5758 1 768 . 1 1 76 76 GLY HA3 H 1 4.246 0.02 . 2 . . . . . . . . 5758 1 769 . 1 1 76 76 GLY C C 13 174.141 0.20 . 1 . . . . . . . . 5758 1 770 . 1 1 77 77 THR N N 15 110.956 0.20 . 1 . . . . . . . . 5758 1 771 . 1 1 77 77 THR H H 1 7.867 0.02 . 1 . . . . . . . . 5758 1 772 . 1 1 77 77 THR CA C 13 61.392 0.20 . 1 . . . . . . . . 5758 1 773 . 1 1 77 77 THR HA H 1 4.350 0.02 . 1 . . . . . . . . 5758 1 774 . 1 1 77 77 THR CB C 13 71.228 0.20 . 1 . . . . . . . . 5758 1 775 . 1 1 77 77 THR HB H 1 4.280 0.02 . 1 . . . . . . . . 5758 1 776 . 1 1 77 77 THR CG2 C 13 21.990 0.20 . 1 . . . . . . . . 5758 1 777 . 1 1 77 77 THR HG21 H 1 1.180 0.02 . 1 . . . . . . . . 5758 1 778 . 1 1 77 77 THR HG22 H 1 1.180 0.02 . 1 . . . . . . . . 5758 1 779 . 1 1 77 77 THR HG23 H 1 1.180 0.02 . 1 . . . . . . . . 5758 1 780 . 1 1 77 77 THR C C 13 174.151 0.20 . 1 . . . . . . . . 5758 1 781 . 1 1 78 78 GLU N N 15 117.751 0.20 . 1 . . . . . . . . 5758 1 782 . 1 1 78 78 GLU H H 1 8.441 0.02 . 1 . . . . . . . . 5758 1 783 . 1 1 78 78 GLU CA C 13 57.321 0.20 . 1 . . . . . . . . 5758 1 784 . 1 1 78 78 GLU HA H 1 4.216 0.02 . 1 . . . . . . . . 5758 1 785 . 1 1 78 78 GLU CB C 13 30.120 0.20 . 1 . . . . . . . . 5758 1 786 . 1 1 78 78 GLU HB2 H 1 1.910 0.02 . 2 . . . . . . . . 5758 1 787 . 1 1 78 78 GLU HB3 H 1 2.060 0.02 . 2 . . . . . . . . 5758 1 788 . 1 1 78 78 GLU CG C 13 37.400 0.20 . 1 . . . . . . . . 5758 1 789 . 1 1 78 78 GLU HG2 H 1 2.550 0.02 . 2 . . . . . . . . 5758 1 790 . 1 1 78 78 GLU HG3 H 1 2.150 0.02 . 2 . . . . . . . . 5758 1 791 . 1 1 78 78 GLU C C 13 176.271 0.20 . 1 . . . . . . . . 5758 1 792 . 1 1 79 79 GLN N N 15 118.826 0.20 . 1 . . . . . . . . 5758 1 793 . 1 1 79 79 GLN H H 1 8.708 0.02 . 1 . . . . . . . . 5758 1 794 . 1 1 79 79 GLN CA C 13 53.676 0.20 . 1 . . . . . . . . 5758 1 795 . 1 1 79 79 GLN HA H 1 4.929 0.02 . 1 . . . . . . . . 5758 1 796 . 1 1 79 79 GLN CB C 13 28.798 0.20 . 1 . . . . . . . . 5758 1 797 . 1 1 79 79 GLN HB2 H 1 2.040 0.02 . 2 . . . . . . . . 5758 1 798 . 1 1 79 79 GLN HB3 H 1 1.880 0.02 . 2 . . . . . . . . 5758 1 799 . 1 1 79 79 GLN CG C 13 33.290 0.20 . 1 . . . . . . . . 5758 1 800 . 1 1 79 79 GLN HG2 H 1 2.250 0.02 . 2 . . . . . . . . 5758 1 801 . 1 1 79 79 GLN HG3 H 1 2.020 0.02 . 2 . . . . . . . . 5758 1 802 . 1 1 79 79 GLN NE2 N 15 110.000 0.20 . 1 . . . . . . . . 5758 1 803 . 1 1 79 79 GLN HE21 H 1 6.610 0.02 . 2 . . . . . . . . 5758 1 804 . 1 1 79 79 GLN HE22 H 1 6.990 0.02 . 2 . . . . . . . . 5758 1 805 . 1 1 80 80 PRO CA C 13 66.450 0.20 . 1 . . . . . . . . 5758 1 806 . 1 1 80 80 PRO HA H 1 4.320 0.02 . 1 . . . . . . . . 5758 1 807 . 1 1 80 80 PRO CB C 13 32.120 0.20 . 1 . . . . . . . . 5758 1 808 . 1 1 80 80 PRO HB2 H 1 1.870 0.02 . 2 . . . . . . . . 5758 1 809 . 1 1 80 80 PRO HB3 H 1 2.020 0.02 . 2 . . . . . . . . 5758 1 810 . 1 1 80 80 PRO HG2 H 1 2.440 0.02 . 2 . . . . . . . . 5758 1 811 . 1 1 80 80 PRO HD2 H 1 3.840 0.02 . 2 . . . . . . . . 5758 1 812 . 1 1 80 80 PRO C C 13 178.682 0.20 . 1 . . . . . . . . 5758 1 813 . 1 1 81 81 LEU N N 15 112.632 0.20 . 1 . . . . . . . . 5758 1 814 . 1 1 81 81 LEU H H 1 8.113 0.02 . 1 . . . . . . . . 5758 1 815 . 1 1 81 81 LEU CA C 13 55.917 0.20 . 1 . . . . . . . . 5758 1 816 . 1 1 81 81 LEU HA H 1 4.280 0.02 . 1 . . . . . . . . 5758 1 817 . 1 1 81 81 LEU CB C 13 42.294 0.20 . 1 . . . . . . . . 5758 1 818 . 1 1 81 81 LEU HB2 H 1 1.790 0.02 . 1 . . . . . . . . 5758 1 819 . 1 1 81 81 LEU HB3 H 1 1.790 0.02 . 1 . . . . . . . . 5758 1 820 . 1 1 81 81 LEU HG H 1 1.670 0.02 . 1 . . . . . . . . 5758 1 821 . 1 1 81 81 LEU CD1 C 13 25.030 0.20 . 1 . . . . . . . . 5758 1 822 . 1 1 81 81 LEU HD11 H 1 0.990 0.02 . 2 . . . . . . . . 5758 1 823 . 1 1 81 81 LEU HD12 H 1 0.990 0.02 . 2 . . . . . . . . 5758 1 824 . 1 1 81 81 LEU HD13 H 1 0.990 0.02 . 2 . . . . . . . . 5758 1 825 . 1 1 81 81 LEU CD2 C 13 24.020 0.20 . 1 . . . . . . . . 5758 1 826 . 1 1 81 81 LEU HD21 H 1 0.930 0.02 . 2 . . . . . . . . 5758 1 827 . 1 1 81 81 LEU HD22 H 1 0.930 0.02 . 2 . . . . . . . . 5758 1 828 . 1 1 81 81 LEU HD23 H 1 0.930 0.02 . 2 . . . . . . . . 5758 1 829 . 1 1 81 81 LEU C C 13 177.859 0.20 . 1 . . . . . . . . 5758 1 830 . 1 1 82 82 THR N N 15 117.937 0.20 . 1 . . . . . . . . 5758 1 831 . 1 1 82 82 THR H H 1 8.142 0.02 . 1 . . . . . . . . 5758 1 832 . 1 1 82 82 THR CA C 13 68.511 0.20 . 1 . . . . . . . . 5758 1 833 . 1 1 82 82 THR HA H 1 4.220 0.02 . 1 . . . . . . . . 5758 1 834 . 1 1 82 82 THR CB C 13 68.860 0.20 . 1 . . . . . . . . 5758 1 835 . 1 1 82 82 THR HB H 1 3.610 0.02 . 1 . . . . . . . . 5758 1 836 . 1 1 82 82 THR CG2 C 13 22.933 0.20 . 1 . . . . . . . . 5758 1 837 . 1 1 82 82 THR HG21 H 1 1.309 0.02 . 1 . . . . . . . . 5758 1 838 . 1 1 82 82 THR HG22 H 1 1.309 0.02 . 1 . . . . . . . . 5758 1 839 . 1 1 82 82 THR HG23 H 1 1.309 0.02 . 1 . . . . . . . . 5758 1 840 . 1 1 82 82 THR C C 13 175.915 0.20 . 1 . . . . . . . . 5758 1 841 . 1 1 83 83 ALA N N 15 121.115 0.20 . 1 . . . . . . . . 5758 1 842 . 1 1 83 83 ALA H H 1 8.457 0.02 . 1 . . . . . . . . 5758 1 843 . 1 1 83 83 ALA CA C 13 55.052 0.20 . 1 . . . . . . . . 5758 1 844 . 1 1 83 83 ALA HA H 1 4.030 0.02 . 1 . . . . . . . . 5758 1 845 . 1 1 83 83 ALA CB C 13 18.170 0.20 . 1 . . . . . . . . 5758 1 846 . 1 1 83 83 ALA HB1 H 1 1.460 0.02 . 1 . . . . . . . . 5758 1 847 . 1 1 83 83 ALA HB2 H 1 1.460 0.02 . 1 . . . . . . . . 5758 1 848 . 1 1 83 83 ALA HB3 H 1 1.460 0.02 . 1 . . . . . . . . 5758 1 849 . 1 1 83 83 ALA C C 13 181.000 0.20 . 1 . . . . . . . . 5758 1 850 . 1 1 84 84 ARG N N 15 117.219 0.20 . 1 . . . . . . . . 5758 1 851 . 1 1 84 84 ARG H H 1 7.429 0.02 . 1 . . . . . . . . 5758 1 852 . 1 1 84 84 ARG CA C 13 58.458 0.20 . 1 . . . . . . . . 5758 1 853 . 1 1 84 84 ARG HA H 1 3.880 0.02 . 1 . . . . . . . . 5758 1 854 . 1 1 84 84 ARG CB C 13 30.171 0.20 . 1 . . . . . . . . 5758 1 855 . 1 1 84 84 ARG HB3 H 1 1.850 0.02 . 2 . . . . . . . . 5758 1 856 . 1 1 84 84 ARG HG2 H 1 1.700 0.02 . 2 . . . . . . . . 5758 1 857 . 1 1 84 84 ARG HD2 H 1 3.140 0.02 . 2 . . . . . . . . 5758 1 858 . 1 1 84 84 ARG C C 13 178.289 0.20 . 1 . . . . . . . . 5758 1 859 . 1 1 85 85 ALA N N 15 125.328 0.20 . 1 . . . . . . . . 5758 1 860 . 1 1 85 85 ALA H H 1 8.224 0.02 . 1 . . . . . . . . 5758 1 861 . 1 1 85 85 ALA CA C 13 55.233 0.20 . 1 . . . . . . . . 5758 1 862 . 1 1 85 85 ALA HA H 1 3.347 0.02 . 1 . . . . . . . . 5758 1 863 . 1 1 85 85 ALA CB C 13 17.637 0.20 . 1 . . . . . . . . 5758 1 864 . 1 1 85 85 ALA HB1 H 1 1.559 0.02 . 1 . . . . . . . . 5758 1 865 . 1 1 85 85 ALA HB2 H 1 1.559 0.02 . 1 . . . . . . . . 5758 1 866 . 1 1 85 85 ALA HB3 H 1 1.559 0.02 . 1 . . . . . . . . 5758 1 867 . 1 1 85 85 ALA C C 13 179.168 0.20 . 1 . . . . . . . . 5758 1 868 . 1 1 86 86 ARG N N 15 116.029 0.20 . 1 . . . . . . . . 5758 1 869 . 1 1 86 86 ARG H H 1 7.892 0.02 . 1 . . . . . . . . 5758 1 870 . 1 1 86 86 ARG CA C 13 60.048 0.20 . 1 . . . . . . . . 5758 1 871 . 1 1 86 86 ARG HA H 1 3.875 0.02 . 1 . . . . . . . . 5758 1 872 . 1 1 86 86 ARG CB C 13 29.918 0.20 . 1 . . . . . . . . 5758 1 873 . 1 1 86 86 ARG HB2 H 1 1.766 0.02 . 2 . . . . . . . . 5758 1 874 . 1 1 86 86 ARG HG2 H 1 1.460 0.02 . 2 . . . . . . . . 5758 1 875 . 1 1 86 86 ARG HD3 H 1 3.060 0.02 . 2 . . . . . . . . 5758 1 876 . 1 1 86 86 ARG C C 13 178.951 0.20 . 1 . . . . . . . . 5758 1 877 . 1 1 87 87 LYS N N 15 119.532 0.20 . 1 . . . . . . . . 5758 1 878 . 1 1 87 87 LYS H H 1 7.785 0.02 . 1 . . . . . . . . 5758 1 879 . 1 1 87 87 LYS CA C 13 59.386 0.20 . 1 . . . . . . . . 5758 1 880 . 1 1 87 87 LYS HA H 1 4.065 0.02 . 1 . . . . . . . . 5758 1 881 . 1 1 87 87 LYS CB C 13 31.946 0.20 . 1 . . . . . . . . 5758 1 882 . 1 1 87 87 LYS HB3 H 1 1.900 0.02 . 2 . . . . . . . . 5758 1 883 . 1 1 87 87 LYS HG2 H 1 1.540 0.02 . 2 . . . . . . . . 5758 1 884 . 1 1 87 87 LYS HD2 H 1 1.440 0.02 . 2 . . . . . . . . 5758 1 885 . 1 1 87 87 LYS C C 13 178.499 0.20 . 1 . . . . . . . . 5758 1 886 . 1 1 88 88 PHE N N 15 121.380 0.20 . 1 . . . . . . . . 5758 1 887 . 1 1 88 88 PHE H H 1 7.897 0.02 . 1 . . . . . . . . 5758 1 888 . 1 1 88 88 PHE CA C 13 60.565 0.20 . 1 . . . . . . . . 5758 1 889 . 1 1 88 88 PHE HA H 1 4.420 0.02 . 1 . . . . . . . . 5758 1 890 . 1 1 88 88 PHE CB C 13 39.072 0.20 . 1 . . . . . . . . 5758 1 891 . 1 1 88 88 PHE HB2 H 1 3.036 0.02 . 2 . . . . . . . . 5758 1 892 . 1 1 88 88 PHE HB3 H 1 2.930 0.02 . 2 . . . . . . . . 5758 1 893 . 1 1 88 88 PHE CD1 C 13 131.870 0.20 . 1 . . . . . . . . 5758 1 894 . 1 1 88 88 PHE HD1 H 1 7.340 0.02 . 1 . . . . . . . . 5758 1 895 . 1 1 88 88 PHE CE1 C 13 130.090 0.20 . 1 . . . . . . . . 5758 1 896 . 1 1 88 88 PHE HE1 H 1 6.760 0.02 . 1 . . . . . . . . 5758 1 897 . 1 1 88 88 PHE CZ C 13 128.370 0.20 . 1 . . . . . . . . 5758 1 898 . 1 1 88 88 PHE HZ H 1 6.230 0.02 . 1 . . . . . . . . 5758 1 899 . 1 1 88 88 PHE CE2 C 13 130.090 0.20 . 1 . . . . . . . . 5758 1 900 . 1 1 88 88 PHE HE2 H 1 6.760 0.02 . 1 . . . . . . . . 5758 1 901 . 1 1 88 88 PHE CD2 C 13 131.870 0.20 . 1 . . . . . . . . 5758 1 902 . 1 1 88 88 PHE HD2 H 1 7.340 0.02 . 1 . . . . . . . . 5758 1 903 . 1 1 88 88 PHE C C 13 179.047 0.20 . 1 . . . . . . . . 5758 1 904 . 1 1 89 89 ALA N N 15 120.396 0.20 . 1 . . . . . . . . 5758 1 905 . 1 1 89 89 ALA H H 1 8.107 0.02 . 1 . . . . . . . . 5758 1 906 . 1 1 89 89 ALA CA C 13 55.360 0.20 . 1 . . . . . . . . 5758 1 907 . 1 1 89 89 ALA HA H 1 3.710 0.02 . 1 . . . . . . . . 5758 1 908 . 1 1 89 89 ALA CB C 13 18.600 0.20 . 1 . . . . . . . . 5758 1 909 . 1 1 89 89 ALA HB1 H 1 1.452 0.02 . 1 . . . . . . . . 5758 1 910 . 1 1 89 89 ALA HB2 H 1 1.452 0.02 . 1 . . . . . . . . 5758 1 911 . 1 1 89 89 ALA HB3 H 1 1.452 0.02 . 1 . . . . . . . . 5758 1 912 . 1 1 89 89 ALA C C 13 179.079 0.20 . 1 . . . . . . . . 5758 1 913 . 1 1 90 90 ASN N N 15 115.514 0.20 . 1 . . . . . . . . 5758 1 914 . 1 1 90 90 ASN H H 1 7.968 0.02 . 1 . . . . . . . . 5758 1 915 . 1 1 90 90 ASN CA C 13 55.893 0.20 . 1 . . . . . . . . 5758 1 916 . 1 1 90 90 ASN HA H 1 4.440 0.02 . 1 . . . . . . . . 5758 1 917 . 1 1 90 90 ASN CB C 13 38.562 0.20 . 1 . . . . . . . . 5758 1 918 . 1 1 90 90 ASN HB2 H 1 2.900 0.02 . 2 . . . . . . . . 5758 1 919 . 1 1 90 90 ASN HB3 H 1 2.860 0.02 . 2 . . . . . . . . 5758 1 920 . 1 1 90 90 ASN ND2 N 15 112.450 0.20 . 1 . . . . . . . . 5758 1 921 . 1 1 90 90 ASN HD21 H 1 6.900 0.02 . 2 . . . . . . . . 5758 1 922 . 1 1 90 90 ASN HD22 H 1 7.630 0.02 . 2 . . . . . . . . 5758 1 923 . 1 1 90 90 ASN C C 13 178.590 0.20 . 1 . . . . . . . . 5758 1 924 . 1 1 91 91 ARG N N 15 122.298 0.20 . 1 . . . . . . . . 5758 1 925 . 1 1 91 91 ARG H H 1 8.576 0.02 . 1 . . . . . . . . 5758 1 926 . 1 1 91 91 ARG CA C 13 58.583 0.20 . 1 . . . . . . . . 5758 1 927 . 1 1 91 91 ARG HA H 1 4.027 0.02 . 1 . . . . . . . . 5758 1 928 . 1 1 91 91 ARG CB C 13 30.124 0.20 . 1 . . . . . . . . 5758 1 929 . 1 1 91 91 ARG HB2 H 1 1.650 0.02 . 1 . . . . . . . . 5758 1 930 . 1 1 91 91 ARG HB3 H 1 1.650 0.02 . 1 . . . . . . . . 5758 1 931 . 1 1 91 91 ARG HG2 H 1 1.578 0.02 . 2 . . . . . . . . 5758 1 932 . 1 1 91 91 ARG HG3 H 1 1.410 0.02 . 2 . . . . . . . . 5758 1 933 . 1 1 91 91 ARG HD3 H 1 3.140 0.02 . 2 . . . . . . . . 5758 1 934 . 1 1 91 91 ARG C C 13 178.964 0.20 . 1 . . . . . . . . 5758 1 935 . 1 1 92 92 ILE N N 15 119.632 0.20 . 1 . . . . . . . . 5758 1 936 . 1 1 92 92 ILE H H 1 8.126 0.02 . 1 . . . . . . . . 5758 1 937 . 1 1 92 92 ILE CA C 13 65.056 0.20 . 1 . . . . . . . . 5758 1 938 . 1 1 92 92 ILE HA H 1 3.650 0.02 . 1 . . . . . . . . 5758 1 939 . 1 1 92 92 ILE CB C 13 37.310 0.20 . 1 . . . . . . . . 5758 1 940 . 1 1 92 92 ILE HB H 1 1.850 0.02 . 1 . . . . . . . . 5758 1 941 . 1 1 92 92 ILE CG1 C 13 29.000 0.20 . 2 . . . . . . . . 5758 1 942 . 1 1 92 92 ILE HG12 H 1 1.460 0.02 . 9 . . . . . . . . 5758 1 943 . 1 1 92 92 ILE HG13 H 1 1.460 0.02 . 9 . . . . . . . . 5758 1 944 . 1 1 92 92 ILE CD1 C 13 13.600 0.20 . 1 . . . . . . . . 5758 1 945 . 1 1 92 92 ILE HD11 H 1 0.200 0.02 . 1 . . . . . . . . 5758 1 946 . 1 1 92 92 ILE HD12 H 1 0.200 0.02 . 1 . . . . . . . . 5758 1 947 . 1 1 92 92 ILE HD13 H 1 0.200 0.02 . 1 . . . . . . . . 5758 1 948 . 1 1 92 92 ILE CG2 C 13 18.260 0.20 . 2 . . . . . . . . 5758 1 949 . 1 1 92 92 ILE HG21 H 1 0.830 0.02 . 4 . . . . . . . . 5758 1 950 . 1 1 92 92 ILE HG22 H 1 0.830 0.02 . 4 . . . . . . . . 5758 1 951 . 1 1 92 92 ILE HG23 H 1 0.830 0.02 . 4 . . . . . . . . 5758 1 952 . 1 1 92 92 ILE C C 13 178.033 0.20 . 1 . . . . . . . . 5758 1 953 . 1 1 93 93 HIS N N 15 119.156 0.20 . 1 . . . . . . . . 5758 1 954 . 1 1 93 93 HIS H H 1 7.779 0.02 . 1 . . . . . . . . 5758 1 955 . 1 1 93 93 HIS CA C 13 59.940 0.20 . 1 . . . . . . . . 5758 1 956 . 1 1 93 93 HIS HA H 1 4.320 0.02 . 1 . . . . . . . . 5758 1 957 . 1 1 93 93 HIS CB C 13 29.598 0.20 . 1 . . . . . . . . 5758 1 958 . 1 1 93 93 HIS HB3 H 1 3.230 0.02 . 2 . . . . . . . . 5758 1 959 . 1 1 93 93 HIS CD2 C 13 120.900 0.20 . 1 . . . . . . . . 5758 1 960 . 1 1 93 93 HIS HD2 H 1 7.030 0.02 . 2 . . . . . . . . 5758 1 961 . 1 1 93 93 HIS CE1 C 13 137.610 0.20 . 1 . . . . . . . . 5758 1 962 . 1 1 93 93 HIS HE1 H 1 7.430 0.02 . 2 . . . . . . . . 5758 1 963 . 1 1 93 93 HIS C C 13 178.785 0.20 . 1 . . . . . . . . 5758 1 964 . 1 1 94 94 GLY N N 15 106.229 0.20 . 1 . . . . . . . . 5758 1 965 . 1 1 94 94 GLY H H 1 8.542 0.02 . 1 . . . . . . . . 5758 1 966 . 1 1 94 94 GLY CA C 13 46.480 0.20 . 1 . . . . . . . . 5758 1 967 . 1 1 94 94 GLY HA2 H 1 3.507 0.02 . 2 . . . . . . . . 5758 1 968 . 1 1 94 94 GLY HA3 H 1 3.683 0.02 . 2 . . . . . . . . 5758 1 969 . 1 1 94 94 GLY C C 13 175.159 0.20 . 1 . . . . . . . . 5758 1 970 . 1 1 95 95 ARG N N 15 118.283 0.20 . 1 . . . . . . . . 5758 1 971 . 1 1 95 95 ARG H H 1 7.788 0.02 . 1 . . . . . . . . 5758 1 972 . 1 1 95 95 ARG CA C 13 57.740 0.20 . 1 . . . . . . . . 5758 1 973 . 1 1 95 95 ARG HA H 1 3.720 0.02 . 1 . . . . . . . . 5758 1 974 . 1 1 95 95 ARG CB C 13 30.224 0.20 . 1 . . . . . . . . 5758 1 975 . 1 1 95 95 ARG HB2 H 1 0.434 0.02 . 2 . . . . . . . . 5758 1 976 . 1 1 95 95 ARG HB3 H 1 0.841 0.02 . 2 . . . . . . . . 5758 1 977 . 1 1 95 95 ARG CG C 13 27.870 0.20 . 1 . . . . . . . . 5758 1 978 . 1 1 95 95 ARG HG2 H 1 0.355 0.02 . 2 . . . . . . . . 5758 1 979 . 1 1 95 95 ARG HG3 H 1 0.759 0.02 . 2 . . . . . . . . 5758 1 980 . 1 1 95 95 ARG CD C 13 42.300 0.20 . 1 . . . . . . . . 5758 1 981 . 1 1 95 95 ARG HD2 H 1 1.663 0.02 . 2 . . . . . . . . 5758 1 982 . 1 1 95 95 ARG HD3 H 1 1.906 0.02 . 2 . . . . . . . . 5758 1 983 . 1 1 95 95 ARG C C 13 177.968 0.20 . 1 . . . . . . . . 5758 1 984 . 1 1 96 96 PHE N N 15 112.170 0.20 . 1 . . . . . . . . 5758 1 985 . 1 1 96 96 PHE H H 1 7.552 0.02 . 1 . . . . . . . . 5758 1 986 . 1 1 96 96 PHE CA C 13 57.531 0.20 . 1 . . . . . . . . 5758 1 987 . 1 1 96 96 PHE HA H 1 4.870 0.02 . 1 . . . . . . . . 5758 1 988 . 1 1 96 96 PHE CB C 13 40.497 0.20 . 1 . . . . . . . . 5758 1 989 . 1 1 96 96 PHE HB2 H 1 2.680 0.02 . 2 . . . . . . . . 5758 1 990 . 1 1 96 96 PHE HB3 H 1 3.370 0.02 . 2 . . . . . . . . 5758 1 991 . 1 1 96 96 PHE HD1 H 1 7.410 0.02 . 2 . . . . . . . . 5758 1 992 . 1 1 96 96 PHE HE1 H 1 7.290 0.02 . 2 . . . . . . . . 5758 1 993 . 1 1 96 96 PHE CZ C 13 132.000 0.20 . 1 . . . . . . . . 5758 1 994 . 1 1 96 96 PHE HZ H 1 7.490 0.02 . 1 . . . . . . . . 5758 1 995 . 1 1 96 96 PHE C C 13 176.963 0.20 . 1 . . . . . . . . 5758 1 996 . 1 1 97 97 GLY N N 15 109.281 0.20 . 1 . . . . . . . . 5758 1 997 . 1 1 97 97 GLY H H 1 8.061 0.02 . 1 . . . . . . . . 5758 1 998 . 1 1 97 97 GLY CA C 13 46.478 0.20 . 1 . . . . . . . . 5758 1 999 . 1 1 97 97 GLY HA2 H 1 3.589 0.02 . 2 . . . . . . . . 5758 1 1000 . 1 1 97 97 GLY HA3 H 1 3.918 0.02 . 2 . . . . . . . . 5758 1 1001 . 1 1 97 97 GLY C C 13 173.561 0.20 . 1 . . . . . . . . 5758 1 1002 . 1 1 98 98 VAL N N 15 115.036 0.20 . 1 . . . . . . . . 5758 1 1003 . 1 1 98 98 VAL H H 1 6.568 0.02 . 1 . . . . . . . . 5758 1 1004 . 1 1 98 98 VAL CA C 13 59.320 0.20 . 1 . . . . . . . . 5758 1 1005 . 1 1 98 98 VAL HA H 1 4.343 0.02 . 1 . . . . . . . . 5758 1 1006 . 1 1 98 98 VAL CB C 13 33.475 0.20 . 1 . . . . . . . . 5758 1 1007 . 1 1 98 98 VAL HB H 1 1.940 0.02 . 1 . . . . . . . . 5758 1 1008 . 1 1 98 98 VAL CG2 C 13 20.645 0.20 . 2 . . . . . . . . 5758 1 1009 . 1 1 98 98 VAL HG21 H 1 0.851 0.02 . 1 . . . . . . . . 5758 1 1010 . 1 1 98 98 VAL HG22 H 1 0.851 0.02 . 1 . . . . . . . . 5758 1 1011 . 1 1 98 98 VAL HG23 H 1 0.851 0.02 . 1 . . . . . . . . 5758 1 1012 . 1 1 98 98 VAL CG1 C 13 21.484 0.20 . 2 . . . . . . . . 5758 1 1013 . 1 1 98 98 VAL HG11 H 1 0.877 0.02 . 1 . . . . . . . . 5758 1 1014 . 1 1 98 98 VAL HG12 H 1 0.877 0.02 . 1 . . . . . . . . 5758 1 1015 . 1 1 98 98 VAL HG13 H 1 0.877 0.02 . 1 . . . . . . . . 5758 1 1016 . 1 1 98 98 VAL C C 13 174.603 0.20 . 1 . . . . . . . . 5758 1 1017 . 1 1 99 99 GLU N N 15 126.592 0.20 . 1 . . . . . . . . 5758 1 1018 . 1 1 99 99 GLU H H 1 8.677 0.02 . 1 . . . . . . . . 5758 1 1019 . 1 1 99 99 GLU CA C 13 57.479 0.20 . 1 . . . . . . . . 5758 1 1020 . 1 1 99 99 GLU HA H 1 4.201 0.02 . 1 . . . . . . . . 5758 1 1021 . 1 1 99 99 GLU CB C 13 29.780 0.20 . 1 . . . . . . . . 5758 1 1022 . 1 1 99 99 GLU HB2 H 1 2.060 0.02 . 2 . . . . . . . . 5758 1 1023 . 1 1 99 99 GLU HG2 H 1 2.270 0.02 . 2 . . . . . . . . 5758 1 1024 . 1 1 99 99 GLU C C 13 175.003 0.20 . 1 . . . . . . . . 5758 1 1025 . 1 1 100 100 VAL N N 15 124.581 0.20 . 1 . . . . . . . . 5758 1 1026 . 1 1 100 100 VAL H H 1 8.030 0.02 . 1 . . . . . . . . 5758 1 1027 . 1 1 100 100 VAL CA C 13 59.825 0.20 . 1 . . . . . . . . 5758 1 1028 . 1 1 100 100 VAL HA H 1 5.090 0.02 . 1 . . . . . . . . 5758 1 1029 . 1 1 100 100 VAL CB C 13 34.249 0.20 . 1 . . . . . . . . 5758 1 1030 . 1 1 100 100 VAL HB H 1 1.760 0.02 . 1 . . . . . . . . 5758 1 1031 . 1 1 100 100 VAL CG2 C 13 21.617 0.20 . 2 . . . . . . . . 5758 1 1032 . 1 1 100 100 VAL HG21 H 1 0.977 0.02 . 1 . . . . . . . . 5758 1 1033 . 1 1 100 100 VAL HG22 H 1 0.977 0.02 . 1 . . . . . . . . 5758 1 1034 . 1 1 100 100 VAL HG23 H 1 0.977 0.02 . 1 . . . . . . . . 5758 1 1035 . 1 1 100 100 VAL CG1 C 13 22.556 0.20 . 2 . . . . . . . . 5758 1 1036 . 1 1 100 100 VAL HG11 H 1 0.822 0.02 . 1 . . . . . . . . 5758 1 1037 . 1 1 100 100 VAL HG12 H 1 0.822 0.02 . 1 . . . . . . . . 5758 1 1038 . 1 1 100 100 VAL HG13 H 1 0.822 0.02 . 1 . . . . . . . . 5758 1 1039 . 1 1 100 100 VAL C C 13 175.806 0.20 . 1 . . . . . . . . 5758 1 1040 . 1 1 101 101 LYS N N 15 126.982 0.20 . 1 . . . . . . . . 5758 1 1041 . 1 1 101 101 LYS H H 1 9.098 0.02 . 1 . . . . . . . . 5758 1 1042 . 1 1 101 101 LYS CA C 13 53.828 0.20 . 1 . . . . . . . . 5758 1 1043 . 1 1 101 101 LYS HA H 1 4.598 0.02 . 1 . . . . . . . . 5758 1 1044 . 1 1 101 101 LYS CB C 13 34.740 0.20 . 1 . . . . . . . . 5758 1 1045 . 1 1 101 101 LYS HB2 H 1 1.534 0.02 . 2 . . . . . . . . 5758 1 1046 . 1 1 101 101 LYS HG2 H 1 1.695 0.02 . 2 . . . . . . . . 5758 1 1047 . 1 1 101 101 LYS C C 13 174.853 0.20 . 1 . . . . . . . . 5758 1 1048 . 1 1 102 102 LEU N N 15 122.619 0.20 . 1 . . . . . . . . 5758 1 1049 . 1 1 102 102 LEU H H 1 8.410 0.02 . 1 . . . . . . . . 5758 1 1050 . 1 1 102 102 LEU CA C 13 53.133 0.20 . 1 . . . . . . . . 5758 1 1051 . 1 1 102 102 LEU HA H 1 5.306 0.02 . 1 . . . . . . . . 5758 1 1052 . 1 1 102 102 LEU CB C 13 42.755 0.20 . 1 . . . . . . . . 5758 1 1053 . 1 1 102 102 LEU HB2 H 1 1.789 0.02 . 2 . . . . . . . . 5758 1 1054 . 1 1 102 102 LEU HB3 H 1 1.820 0.02 . 2 . . . . . . . . 5758 1 1055 . 1 1 102 102 LEU HG H 1 1.330 0.02 . 1 . . . . . . . . 5758 1 1056 . 1 1 102 102 LEU CD1 C 13 26.280 0.20 . 2 . . . . . . . . 5758 1 1057 . 1 1 102 102 LEU HD11 H 1 0.946 0.02 . 1 . . . . . . . . 5758 1 1058 . 1 1 102 102 LEU HD12 H 1 0.946 0.02 . 1 . . . . . . . . 5758 1 1059 . 1 1 102 102 LEU HD13 H 1 0.946 0.02 . 1 . . . . . . . . 5758 1 1060 . 1 1 102 102 LEU CD2 C 13 23.670 0.20 . 2 . . . . . . . . 5758 1 1061 . 1 1 102 102 LEU HD21 H 1 0.786 0.02 . 1 . . . . . . . . 5758 1 1062 . 1 1 102 102 LEU HD22 H 1 0.786 0.02 . 1 . . . . . . . . 5758 1 1063 . 1 1 102 102 LEU HD23 H 1 0.786 0.02 . 1 . . . . . . . . 5758 1 1064 . 1 1 102 102 LEU C C 13 177.074 0.20 . 1 . . . . . . . . 5758 1 1065 . 1 1 103 103 HIS N N 15 123.770 0.20 . 1 . . . . . . . . 5758 1 1066 . 1 1 103 103 HIS H H 1 8.507 0.02 . 1 . . . . . . . . 5758 1 1067 . 1 1 103 103 HIS CA C 13 55.368 0.20 . 1 . . . . . . . . 5758 1 1068 . 1 1 103 103 HIS HA H 1 4.964 0.02 . 1 . . . . . . . . 5758 1 1069 . 1 1 103 103 HIS CB C 13 33.895 0.20 . 1 . . . . . . . . 5758 1 1070 . 1 1 103 103 HIS HB2 H 1 2.666 0.02 . 2 . . . . . . . . 5758 1 1071 . 1 1 103 103 HIS HB3 H 1 2.451 0.02 . 2 . . . . . . . . 5758 1 1072 . 1 1 103 103 HIS C C 13 173.579 0.20 . 1 . . . . . . . . 5758 1 1073 . 1 1 104 104 ASP N N 15 129.180 0.20 . 1 . . . . . . . . 5758 1 1074 . 1 1 104 104 ASP H H 1 8.175 0.02 . 1 . . . . . . . . 5758 1 1075 . 1 1 104 104 ASP CA C 13 54.358 0.20 . 1 . . . . . . . . 5758 1 1076 . 1 1 104 104 ASP HA H 1 4.460 0.02 . 1 . . . . . . . . 5758 1 1077 . 1 1 104 104 ASP CB C 13 40.981 0.20 . 1 . . . . . . . . 5758 1 1078 . 1 1 104 104 ASP HB2 H 1 2.420 0.02 . 2 . . . . . . . . 5758 1 1079 . 1 1 104 104 ASP C C 13 175.849 0.20 . 1 . . . . . . . . 5758 1 1080 . 1 1 105 105 GLU N N 15 126.130 0.20 . 1 . . . . . . . . 5758 1 1081 . 1 1 105 105 GLU H H 1 8.364 0.02 . 1 . . . . . . . . 5758 1 1082 . 1 1 105 105 GLU CA C 13 57.174 0.20 . 1 . . . . . . . . 5758 1 1083 . 1 1 105 105 GLU HA H 1 4.061 0.02 . 1 . . . . . . . . 5758 1 1084 . 1 1 105 105 GLU CB C 13 30.491 0.20 . 1 . . . . . . . . 5758 1 1085 . 1 1 105 105 GLU HB2 H 1 1.830 0.02 . 2 . . . . . . . . 5758 1 1086 . 1 1 105 105 GLU HB3 H 1 2.050 0.02 . 2 . . . . . . . . 5758 1 1087 . 1 1 105 105 GLU CG C 13 36.000 0.20 . 1 . . . . . . . . 5758 1 1088 . 1 1 105 105 GLU HG2 H 1 2.140 0.02 . 2 . . . . . . . . 5758 1 1089 . 1 1 105 105 GLU C C 13 176.994 0.20 . 1 . . . . . . . . 5758 1 1090 . 1 1 106 106 ARG N N 15 120.418 0.20 . 1 . . . . . . . . 5758 1 1091 . 1 1 106 106 ARG H H 1 8.612 0.02 . 1 . . . . . . . . 5758 1 1092 . 1 1 106 106 ARG CA C 13 56.860 0.20 . 1 . . . . . . . . 5758 1 1093 . 1 1 106 106 ARG HA H 1 4.214 0.02 . 1 . . . . . . . . 5758 1 1094 . 1 1 106 106 ARG CB C 13 30.050 0.20 . 1 . . . . . . . . 5758 1 1095 . 1 1 106 106 ARG HB2 H 1 1.680 0.02 . 2 . . . . . . . . 5758 1 1096 . 1 1 106 106 ARG HG2 H 1 1.520 0.02 . 2 . . . . . . . . 5758 1 1097 . 1 1 106 106 ARG HD2 H 1 3.090 0.02 . 1 . . . . . . . . 5758 1 1098 . 1 1 106 106 ARG C C 13 177.656 0.20 . 1 . . . . . . . . 5758 1 1099 . 1 1 107 107 LEU N N 15 119.453 0.20 . 1 . . . . . . . . 5758 1 1100 . 1 1 107 107 LEU H H 1 7.894 0.02 . 1 . . . . . . . . 5758 1 1101 . 1 1 107 107 LEU CA C 13 55.726 0.20 . 1 . . . . . . . . 5758 1 1102 . 1 1 107 107 LEU HA H 1 4.250 0.02 . 1 . . . . . . . . 5758 1 1103 . 1 1 107 107 LEU CB C 13 42.200 0.20 . 1 . . . . . . . . 5758 1 1104 . 1 1 107 107 LEU HB2 H 1 1.660 0.02 . 2 . . . . . . . . 5758 1 1105 . 1 1 107 107 LEU HG H 1 1.480 0.02 . 1 . . . . . . . . 5758 1 1106 . 1 1 107 107 LEU CD1 C 13 25.600 0.20 . 1 . . . . . . . . 5758 1 1107 . 1 1 107 107 LEU HD11 H 1 0.820 0.02 . 2 . . . . . . . . 5758 1 1108 . 1 1 107 107 LEU HD12 H 1 0.820 0.02 . 2 . . . . . . . . 5758 1 1109 . 1 1 107 107 LEU HD13 H 1 0.820 0.02 . 2 . . . . . . . . 5758 1 1110 . 1 1 107 107 LEU CD2 C 13 22.830 0.20 . 1 . . . . . . . . 5758 1 1111 . 1 1 107 107 LEU HD21 H 1 0.790 0.02 . 2 . . . . . . . . 5758 1 1112 . 1 1 107 107 LEU HD22 H 1 0.790 0.02 . 2 . . . . . . . . 5758 1 1113 . 1 1 107 107 LEU HD23 H 1 0.790 0.02 . 2 . . . . . . . . 5758 1 1114 . 1 1 107 107 LEU C C 13 177.572 0.20 . 1 . . . . . . . . 5758 1 1115 . 1 1 108 108 SER N N 15 114.865 0.20 . 1 . . . . . . . . 5758 1 1116 . 1 1 108 108 SER H H 1 8.009 0.02 . 1 . . . . . . . . 5758 1 1117 . 1 1 108 108 SER CA C 13 58.228 0.20 . 1 . . . . . . . . 5758 1 1118 . 1 1 108 108 SER HA H 1 4.470 0.02 . 1 . . . . . . . . 5758 1 1119 . 1 1 108 108 SER CB C 13 63.728 0.20 . 1 . . . . . . . . 5758 1 1120 . 1 1 108 108 SER HB2 H 1 3.900 0.02 . 2 . . . . . . . . 5758 1 1121 . 1 1 108 108 SER HB3 H 1 3.780 0.02 . 2 . . . . . . . . 5758 1 1122 . 1 1 108 108 SER C C 13 174.878 0.20 . 1 . . . . . . . . 5758 1 1123 . 1 1 109 109 THR N N 15 114.578 0.20 . 1 . . . . . . . . 5758 1 1124 . 1 1 109 109 THR H H 1 7.970 0.02 . 1 . . . . . . . . 5758 1 1125 . 1 1 109 109 THR CA C 13 61.477 0.20 . 1 . . . . . . . . 5758 1 1126 . 1 1 109 109 THR HA H 1 4.397 0.02 . 1 . . . . . . . . 5758 1 1127 . 1 1 109 109 THR CB C 13 69.497 0.20 . 1 . . . . . . . . 5758 1 1128 . 1 1 109 109 THR HB H 1 4.320 0.02 . 1 . . . . . . . . 5758 1 1129 . 1 1 109 109 THR CG2 C 13 21.700 0.20 . 1 . . . . . . . . 5758 1 1130 . 1 1 109 109 THR HG21 H 1 1.199 0.02 . 1 . . . . . . . . 5758 1 1131 . 1 1 109 109 THR HG22 H 1 1.199 0.02 . 1 . . . . . . . . 5758 1 1132 . 1 1 109 109 THR HG23 H 1 1.199 0.02 . 1 . . . . . . . . 5758 1 1133 . 1 1 109 109 THR C C 13 174.934 0.20 . 1 . . . . . . . . 5758 1 1134 . 1 1 110 110 VAL N N 15 121.445 0.20 . 1 . . . . . . . . 5758 1 1135 . 1 1 110 110 VAL H H 1 8.062 0.02 . 1 . . . . . . . . 5758 1 1136 . 1 1 110 110 VAL CA C 13 63.234 0.20 . 1 . . . . . . . . 5758 1 1137 . 1 1 110 110 VAL HA H 1 3.971 0.02 . 1 . . . . . . . . 5758 1 1138 . 1 1 110 110 VAL CB C 13 32.249 0.20 . 1 . . . . . . . . 5758 1 1139 . 1 1 110 110 VAL HB H 1 2.040 0.02 . 1 . . . . . . . . 5758 1 1140 . 1 1 110 110 VAL CG2 C 13 21.060 0.20 . 2 . . . . . . . . 5758 1 1141 . 1 1 110 110 VAL HG21 H 1 0.913 0.02 . 1 . . . . . . . . 5758 1 1142 . 1 1 110 110 VAL HG22 H 1 0.913 0.02 . 1 . . . . . . . . 5758 1 1143 . 1 1 110 110 VAL HG23 H 1 0.913 0.02 . 1 . . . . . . . . 5758 1 1144 . 1 1 110 110 VAL CG1 C 13 21.200 0.20 . 2 . . . . . . . . 5758 1 1145 . 1 1 110 110 VAL HG11 H 1 0.910 0.02 . 1 . . . . . . . . 5758 1 1146 . 1 1 110 110 VAL HG12 H 1 0.910 0.02 . 1 . . . . . . . . 5758 1 1147 . 1 1 110 110 VAL HG13 H 1 0.910 0.02 . 1 . . . . . . . . 5758 1 1148 . 1 1 110 110 VAL C C 13 176.900 0.20 . 1 . . . . . . . . 5758 1 1149 . 1 1 111 111 GLU N N 15 123.056 0.20 . 1 . . . . . . . . 5758 1 1150 . 1 1 111 111 GLU H H 1 8.465 0.02 . 1 . . . . . . . . 5758 1 1151 . 1 1 111 111 GLU CA C 13 57.268 0.20 . 1 . . . . . . . . 5758 1 1152 . 1 1 111 111 GLU HA H 1 4.110 0.02 . 1 . . . . . . . . 5758 1 1153 . 1 1 111 111 GLU CB C 13 29.674 0.20 . 1 . . . . . . . . 5758 1 1154 . 1 1 111 111 GLU HB2 H 1 1.940 0.02 . 1 . . . . . . . . 5758 1 1155 . 1 1 111 111 GLU HB3 H 1 1.940 0.02 . 1 . . . . . . . . 5758 1 1156 . 1 1 111 111 GLU CG C 13 36.300 0.20 . 1 . . . . . . . . 5758 1 1157 . 1 1 111 111 GLU HG2 H 1 2.200 0.02 . 2 . . . . . . . . 5758 1 1158 . 1 1 111 111 GLU C C 13 176.940 0.20 . 1 . . . . . . . . 5758 1 1159 . 1 1 112 112 ALA N N 15 124.237 0.20 . 1 . . . . . . . . 5758 1 1160 . 1 1 112 112 ALA H H 1 8.170 0.02 . 1 . . . . . . . . 5758 1 1161 . 1 1 112 112 ALA CA C 13 53.209 0.20 . 1 . . . . . . . . 5758 1 1162 . 1 1 112 112 ALA HA H 1 4.180 0.02 . 1 . . . . . . . . 5758 1 1163 . 1 1 112 112 ALA CB C 13 19.000 0.20 . 1 . . . . . . . . 5758 1 1164 . 1 1 112 112 ALA HB1 H 1 1.350 0.02 . 1 . . . . . . . . 5758 1 1165 . 1 1 112 112 ALA HB2 H 1 1.350 0.02 . 1 . . . . . . . . 5758 1 1166 . 1 1 112 112 ALA HB3 H 1 1.350 0.02 . 1 . . . . . . . . 5758 1 1167 . 1 1 114 114 SER CA C 13 59.340 0.20 . 1 . . . . . . . . 5758 1 1168 . 1 1 114 114 SER CB C 13 63.810 0.20 . 1 . . . . . . . . 5758 1 1169 . 1 1 115 115 GLY N N 15 110.379 0.20 . 1 . . . . . . . . 5758 1 1170 . 1 1 115 115 GLY H H 1 8.261 0.02 . 1 . . . . . . . . 5758 1 1171 . 1 1 115 115 GLY CA C 13 45.530 0.20 . 1 . . . . . . . . 5758 1 1172 . 1 1 115 115 GLY C C 13 174.295 0.20 . 1 . . . . . . . . 5758 1 1173 . 1 1 116 116 LEU N N 15 120.928 0.20 . 1 . . . . . . . . 5758 1 1174 . 1 1 116 116 LEU H H 1 7.863 0.02 . 1 . . . . . . . . 5758 1 1175 . 1 1 116 116 LEU CA C 13 55.630 0.20 . 1 . . . . . . . . 5758 1 1176 . 1 1 116 116 LEU HA H 1 4.150 0.02 . 1 . . . . . . . . 5758 1 1177 . 1 1 116 116 LEU CB C 13 41.980 0.20 . 1 . . . . . . . . 5758 1 1178 . 1 1 116 116 LEU HB2 H 1 1.380 0.02 . 2 . . . . . . . . 5758 1 1179 . 1 1 117 117 PHE N N 15 119.265 0.20 . 1 . . . . . . . . 5758 1 1180 . 1 1 117 117 PHE H H 1 8.109 0.02 . 1 . . . . . . . . 5758 1 1181 . 1 1 117 117 PHE CA C 13 57.950 0.20 . 1 . . . . . . . . 5758 1 1182 . 1 1 117 117 PHE HA H 1 4.540 0.02 . 1 . . . . . . . . 5758 1 1183 . 1 1 117 117 PHE CB C 13 38.980 0.20 . 1 . . . . . . . . 5758 1 1184 . 1 1 117 117 PHE HB2 H 1 2.930 0.02 . 2 . . . . . . . . 5758 1 1185 . 1 1 117 117 PHE HB3 H 1 3.150 0.02 . 2 . . . . . . . . 5758 1 1186 . 1 1 117 117 PHE HD1 H 1 7.150 0.02 . 2 . . . . . . . . 5758 1 1187 . 1 1 118 118 GLU N N 15 121.442 0.20 . 1 . . . . . . . . 5758 1 1188 . 1 1 118 118 GLU H H 1 8.244 0.02 . 1 . . . . . . . . 5758 1 1189 . 1 1 118 118 GLU CA C 13 55.630 0.20 . 1 . . . . . . . . 5758 1 1190 . 1 1 118 118 GLU HA H 1 4.190 0.02 . 1 . . . . . . . . 5758 1 1191 . 1 1 118 118 GLU CB C 13 30.020 0.20 . 1 . . . . . . . . 5758 1 1192 . 1 1 118 118 GLU HB2 H 1 1.870 0.02 . 2 . . . . . . . . 5758 1 1193 . 1 1 118 118 GLU HG2 H 1 2.150 0.02 . 2 . . . . . . . . 5758 1 1194 . 1 1 132 132 SER CA C 13 58.890 0.20 . 1 . . . . . . . . 5758 1 1195 . 1 1 132 132 SER CB C 13 64.030 0.20 . 1 . . . . . . . . 5758 1 1196 . 1 1 132 132 SER C C 13 174.360 0.20 . 1 . . . . . . . . 5758 1 1197 . 1 1 133 133 ALA N N 15 124.164 0.20 . 1 . . . . . . . . 5758 1 1198 . 1 1 133 133 ALA H H 1 7.972 0.02 . 1 . . . . . . . . 5758 1 1199 . 1 1 133 133 ALA CA C 13 55.213 0.20 . 1 . . . . . . . . 5758 1 1200 . 1 1 133 133 ALA HA H 1 3.910 0.02 . 1 . . . . . . . . 5758 1 1201 . 1 1 133 133 ALA CB C 13 18.990 0.20 . 1 . . . . . . . . 5758 1 1202 . 1 1 133 133 ALA HB1 H 1 1.373 0.02 . 1 . . . . . . . . 5758 1 1203 . 1 1 133 133 ALA HB2 H 1 1.373 0.02 . 1 . . . . . . . . 5758 1 1204 . 1 1 133 133 ALA HB3 H 1 1.373 0.02 . 1 . . . . . . . . 5758 1 1205 . 1 1 133 133 ALA C C 13 180.494 0.20 . 1 . . . . . . . . 5758 1 1206 . 1 1 134 134 SER N N 15 113.681 0.20 . 1 . . . . . . . . 5758 1 1207 . 1 1 134 134 SER H H 1 8.432 0.02 . 1 . . . . . . . . 5758 1 1208 . 1 1 134 134 SER CA C 13 61.891 0.20 . 1 . . . . . . . . 5758 1 1209 . 1 1 134 134 SER HA H 1 4.144 0.02 . 1 . . . . . . . . 5758 1 1210 . 1 1 134 134 SER HB2 H 1 3.730 0.02 . 2 . . . . . . . . 5758 1 1211 . 1 1 134 134 SER HB3 H 1 3.940 0.02 . 2 . . . . . . . . 5758 1 1212 . 1 1 134 134 SER C C 13 176.156 0.20 . 1 . . . . . . . . 5758 1 1213 . 1 1 135 135 ALA N N 15 124.311 0.20 . 1 . . . . . . . . 5758 1 1214 . 1 1 135 135 ALA H H 1 7.624 0.02 . 1 . . . . . . . . 5758 1 1215 . 1 1 135 135 ALA CA C 13 54.743 0.20 . 1 . . . . . . . . 5758 1 1216 . 1 1 135 135 ALA HA H 1 3.744 0.02 . 1 . . . . . . . . 5758 1 1217 . 1 1 135 135 ALA CB C 13 17.122 0.20 . 1 . . . . . . . . 5758 1 1218 . 1 1 135 135 ALA HB1 H 1 1.100 0.02 . 1 . . . . . . . . 5758 1 1219 . 1 1 135 135 ALA HB2 H 1 1.100 0.02 . 1 . . . . . . . . 5758 1 1220 . 1 1 135 135 ALA HB3 H 1 1.100 0.02 . 1 . . . . . . . . 5758 1 1221 . 1 1 135 135 ALA C C 13 177.896 0.20 . 1 . . . . . . . . 5758 1 1222 . 1 1 136 136 VAL N N 15 117.449 0.20 . 1 . . . . . . . . 5758 1 1223 . 1 1 136 136 VAL H H 1 7.146 0.02 . 1 . . . . . . . . 5758 1 1224 . 1 1 136 136 VAL CA C 13 66.045 0.20 . 1 . . . . . . . . 5758 1 1225 . 1 1 136 136 VAL HA H 1 2.923 0.02 . 1 . . . . . . . . 5758 1 1226 . 1 1 136 136 VAL CB C 13 31.155 0.20 . 1 . . . . . . . . 5758 1 1227 . 1 1 136 136 VAL HB H 1 2.204 0.02 . 1 . . . . . . . . 5758 1 1228 . 1 1 136 136 VAL CG2 C 13 23.050 0.20 . 2 . . . . . . . . 5758 1 1229 . 1 1 136 136 VAL HG21 H 1 0.729 0.02 . 1 . . . . . . . . 5758 1 1230 . 1 1 136 136 VAL HG22 H 1 0.729 0.02 . 1 . . . . . . . . 5758 1 1231 . 1 1 136 136 VAL HG23 H 1 0.729 0.02 . 1 . . . . . . . . 5758 1 1232 . 1 1 136 136 VAL CG1 C 13 21.200 0.20 . 2 . . . . . . . . 5758 1 1233 . 1 1 136 136 VAL HG11 H 1 0.739 0.02 . 1 . . . . . . . . 5758 1 1234 . 1 1 136 136 VAL HG12 H 1 0.739 0.02 . 1 . . . . . . . . 5758 1 1235 . 1 1 136 136 VAL HG13 H 1 0.739 0.02 . 1 . . . . . . . . 5758 1 1236 . 1 1 136 136 VAL C C 13 176.694 0.20 . 1 . . . . . . . . 5758 1 1237 . 1 1 137 137 ILE N N 15 118.599 0.20 . 1 . . . . . . . . 5758 1 1238 . 1 1 137 137 ILE H H 1 6.986 0.02 . 1 . . . . . . . . 5758 1 1239 . 1 1 137 137 ILE CA C 13 64.357 0.20 . 1 . . . . . . . . 5758 1 1240 . 1 1 137 137 ILE HA H 1 3.680 0.02 . 1 . . . . . . . . 5758 1 1241 . 1 1 137 137 ILE CB C 13 37.073 0.20 . 1 . . . . . . . . 5758 1 1242 . 1 1 137 137 ILE HB H 1 1.890 0.02 . 1 . . . . . . . . 5758 1 1243 . 1 1 137 137 ILE HG12 H 1 1.487 0.02 . 9 . . . . . . . . 5758 1 1244 . 1 1 137 137 ILE CD1 C 13 12.900 0.20 . 1 . . . . . . . . 5758 1 1245 . 1 1 137 137 ILE HD11 H 1 0.770 0.02 . 1 . . . . . . . . 5758 1 1246 . 1 1 137 137 ILE HD12 H 1 0.770 0.02 . 1 . . . . . . . . 5758 1 1247 . 1 1 137 137 ILE HD13 H 1 0.770 0.02 . 1 . . . . . . . . 5758 1 1248 . 1 1 137 137 ILE CG2 C 13 17.540 0.20 . 1 . . . . . . . . 5758 1 1249 . 1 1 137 137 ILE HG21 H 1 0.870 0.02 . 1 . . . . . . . . 5758 1 1250 . 1 1 137 137 ILE HG22 H 1 0.870 0.02 . 1 . . . . . . . . 5758 1 1251 . 1 1 137 137 ILE HG23 H 1 0.870 0.02 . 1 . . . . . . . . 5758 1 1252 . 1 1 137 137 ILE C C 13 179.150 0.20 . 1 . . . . . . . . 5758 1 1253 . 1 1 138 138 ILE N N 15 120.518 0.20 . 1 . . . . . . . . 5758 1 1254 . 1 1 138 138 ILE H H 1 7.856 0.02 . 1 . . . . . . . . 5758 1 1255 . 1 1 138 138 ILE CA C 13 65.052 0.20 . 1 . . . . . . . . 5758 1 1256 . 1 1 138 138 ILE HA H 1 3.480 0.02 . 1 . . . . . . . . 5758 1 1257 . 1 1 138 138 ILE CB C 13 38.070 0.20 . 1 . . . . . . . . 5758 1 1258 . 1 1 138 138 ILE HB H 1 1.660 0.02 . 1 . . . . . . . . 5758 1 1259 . 1 1 138 138 ILE CG1 C 13 29.000 0.20 . 2 . . . . . . . . 5758 1 1260 . 1 1 138 138 ILE HG13 H 1 1.040 0.02 . 9 . . . . . . . . 5758 1 1261 . 1 1 138 138 ILE CD1 C 13 13.770 0.20 . 1 . . . . . . . . 5758 1 1262 . 1 1 138 138 ILE HD11 H 1 0.780 0.02 . 1 . . . . . . . . 5758 1 1263 . 1 1 138 138 ILE HD12 H 1 0.780 0.02 . 1 . . . . . . . . 5758 1 1264 . 1 1 138 138 ILE HD13 H 1 0.780 0.02 . 1 . . . . . . . . 5758 1 1265 . 1 1 138 138 ILE CG2 C 13 17.080 0.20 . 2 . . . . . . . . 5758 1 1266 . 1 1 138 138 ILE HG21 H 1 0.602 0.02 . 4 . . . . . . . . 5758 1 1267 . 1 1 138 138 ILE HG22 H 1 0.602 0.02 . 4 . . . . . . . . 5758 1 1268 . 1 1 138 138 ILE HG23 H 1 0.602 0.02 . 4 . . . . . . . . 5758 1 1269 . 1 1 138 138 ILE C C 13 176.972 0.20 . 1 . . . . . . . . 5758 1 1270 . 1 1 139 139 LEU N N 15 119.508 0.20 . 1 . . . . . . . . 5758 1 1271 . 1 1 139 139 LEU H H 1 7.365 0.02 . 1 . . . . . . . . 5758 1 1272 . 1 1 139 139 LEU CA C 13 56.938 0.20 . 1 . . . . . . . . 5758 1 1273 . 1 1 139 139 LEU HA H 1 3.480 0.02 . 1 . . . . . . . . 5758 1 1274 . 1 1 139 139 LEU CB C 13 39.729 0.20 . 1 . . . . . . . . 5758 1 1275 . 1 1 139 139 LEU HB2 H 1 1.260 0.02 . 2 . . . . . . . . 5758 1 1276 . 1 1 139 139 LEU HB3 H 1 1.050 0.02 . 2 . . . . . . . . 5758 1 1277 . 1 1 139 139 LEU CG C 13 26.300 0.20 . 1 . . . . . . . . 5758 1 1278 . 1 1 139 139 LEU HG H 1 0.830 0.02 . 1 . . . . . . . . 5758 1 1279 . 1 1 139 139 LEU CD1 C 13 23.360 0.20 . 2 . . . . . . . . 5758 1 1280 . 1 1 139 139 LEU HD11 H 1 0.210 0.02 . 1 . . . . . . . . 5758 1 1281 . 1 1 139 139 LEU HD12 H 1 0.210 0.02 . 1 . . . . . . . . 5758 1 1282 . 1 1 139 139 LEU HD13 H 1 0.210 0.02 . 1 . . . . . . . . 5758 1 1283 . 1 1 139 139 LEU CD2 C 13 25.150 0.20 . 2 . . . . . . . . 5758 1 1284 . 1 1 139 139 LEU HD21 H 1 0.310 0.02 . 1 . . . . . . . . 5758 1 1285 . 1 1 139 139 LEU HD22 H 1 0.310 0.02 . 1 . . . . . . . . 5758 1 1286 . 1 1 139 139 LEU HD23 H 1 0.310 0.02 . 1 . . . . . . . . 5758 1 1287 . 1 1 139 139 LEU C C 13 177.618 0.20 . 1 . . . . . . . . 5758 1 1288 . 1 1 140 140 GLU N N 15 116.692 0.20 . 1 . . . . . . . . 5758 1 1289 . 1 1 140 140 GLU H H 1 8.475 0.02 . 1 . . . . . . . . 5758 1 1290 . 1 1 140 140 GLU CA C 13 60.338 0.20 . 1 . . . . . . . . 5758 1 1291 . 1 1 140 140 GLU HA H 1 3.810 0.02 . 1 . . . . . . . . 5758 1 1292 . 1 1 140 140 GLU CB C 13 28.692 0.20 . 1 . . . . . . . . 5758 1 1293 . 1 1 140 140 GLU HB2 H 1 2.180 0.02 . 2 . . . . . . . . 5758 1 1294 . 1 1 140 140 GLU HB3 H 1 1.970 0.02 . 2 . . . . . . . . 5758 1 1295 . 1 1 140 140 GLU CG C 13 38.100 0.20 . 1 . . . . . . . . 5758 1 1296 . 1 1 140 140 GLU HG2 H 1 2.530 0.02 . 2 . . . . . . . . 5758 1 1297 . 1 1 140 140 GLU C C 13 179.712 0.20 . 1 . . . . . . . . 5758 1 1298 . 1 1 141 141 SER N N 15 114.511 0.20 . 1 . . . . . . . . 5758 1 1299 . 1 1 141 141 SER H H 1 8.146 0.02 . 1 . . . . . . . . 5758 1 1300 . 1 1 141 141 SER CA C 13 60.369 0.20 . 1 . . . . . . . . 5758 1 1301 . 1 1 141 141 SER HA H 1 4.312 0.02 . 1 . . . . . . . . 5758 1 1302 . 1 1 141 141 SER CB C 13 62.276 0.20 . 1 . . . . . . . . 5758 1 1303 . 1 1 141 141 SER HB2 H 1 4.110 0.02 . 2 . . . . . . . . 5758 1 1304 . 1 1 141 141 SER HB3 H 1 4.020 0.02 . 2 . . . . . . . . 5758 1 1305 . 1 1 141 141 SER C C 13 176.940 0.20 . 1 . . . . . . . . 5758 1 1306 . 1 1 142 142 TYR N N 15 124.170 0.20 . 1 . . . . . . . . 5758 1 1307 . 1 1 142 142 TYR H H 1 8.142 0.02 . 1 . . . . . . . . 5758 1 1308 . 1 1 142 142 TYR CA C 13 62.362 0.20 . 1 . . . . . . . . 5758 1 1309 . 1 1 142 142 TYR HA H 1 3.470 0.02 . 1 . . . . . . . . 5758 1 1310 . 1 1 142 142 TYR CB C 13 37.940 0.20 . 1 . . . . . . . . 5758 1 1311 . 1 1 142 142 TYR HB2 H 1 2.660 0.02 . 2 . . . . . . . . 5758 1 1312 . 1 1 142 142 TYR HB3 H 1 2.100 0.02 . 2 . . . . . . . . 5758 1 1313 . 1 1 142 142 TYR CD1 C 13 131.889 0.20 . 1 . . . . . . . . 5758 1 1314 . 1 1 142 142 TYR HD1 H 1 6.490 0.02 . 2 . . . . . . . . 5758 1 1315 . 1 1 142 142 TYR CE1 C 13 119.090 0.20 . 1 . . . . . . . . 5758 1 1316 . 1 1 142 142 TYR HE1 H 1 6.590 0.02 . 1 . . . . . . . . 5758 1 1317 . 1 1 142 142 TYR CE2 C 13 119.090 0.20 . 1 . . . . . . . . 5758 1 1318 . 1 1 142 142 TYR HE2 H 1 6.590 0.02 . 1 . . . . . . . . 5758 1 1319 . 1 1 142 142 TYR CD2 C 13 131.889 0.20 . 1 . . . . . . . . 5758 1 1320 . 1 1 142 142 TYR HD2 H 1 6.500 0.02 . 2 . . . . . . . . 5758 1 1321 . 1 1 142 142 TYR C C 13 179.003 0.20 . 1 . . . . . . . . 5758 1 1322 . 1 1 143 143 PHE N N 15 118.290 0.20 . 1 . . . . . . . . 5758 1 1323 . 1 1 143 143 PHE H H 1 8.360 0.02 . 1 . . . . . . . . 5758 1 1324 . 1 1 143 143 PHE CA C 13 57.714 0.20 . 1 . . . . . . . . 5758 1 1325 . 1 1 143 143 PHE HA H 1 4.391 0.02 . 1 . . . . . . . . 5758 1 1326 . 1 1 143 143 PHE CB C 13 37.558 0.20 . 1 . . . . . . . . 5758 1 1327 . 1 1 143 143 PHE HB2 H 1 3.170 0.02 . 2 . . . . . . . . 5758 1 1328 . 1 1 143 143 PHE HD1 H 1 7.020 0.20 . 2 . . . . . . . . 5758 1 1329 . 1 1 143 143 PHE HZ H 1 6.930 0.02 . 1 . . . . . . . . 5758 1 1330 . 1 1 143 143 PHE C C 13 178.492 0.20 . 1 . . . . . . . . 5758 1 1331 . 1 1 144 144 GLU N N 15 119.069 0.20 . 1 . . . . . . . . 5758 1 1332 . 1 1 144 144 GLU H H 1 7.904 0.02 . 1 . . . . . . . . 5758 1 1333 . 1 1 144 144 GLU CA C 13 58.230 0.20 . 1 . . . . . . . . 5758 1 1334 . 1 1 144 144 GLU HA H 1 4.070 0.02 . 1 . . . . . . . . 5758 1 1335 . 1 1 144 144 GLU CB C 13 29.655 0.20 . 1 . . . . . . . . 5758 1 1336 . 1 1 144 144 GLU HB2 H 1 2.195 0.02 . 2 . . . . . . . . 5758 1 1337 . 1 1 144 144 GLU HB3 H 1 2.280 0.02 . 2 . . . . . . . . 5758 1 1338 . 1 1 144 144 GLU CG C 13 36.320 0.20 . 1 . . . . . . . . 5758 1 1339 . 1 1 144 144 GLU HG2 H 1 2.420 0.02 . 2 . . . . . . . . 5758 1 1340 . 1 1 144 144 GLU HG3 H 1 2.290 0.02 . 2 . . . . . . . . 5758 1 1341 . 1 1 144 144 GLU C C 13 178.044 0.20 . 1 . . . . . . . . 5758 1 1342 . 1 1 145 145 GLN N N 15 116.649 0.20 . 1 . . . . . . . . 5758 1 1343 . 1 1 145 145 GLN H H 1 7.917 0.02 . 1 . . . . . . . . 5758 1 1344 . 1 1 145 145 GLN CA C 13 56.724 0.20 . 1 . . . . . . . . 5758 1 1345 . 1 1 145 145 GLN HA H 1 4.134 0.02 . 1 . . . . . . . . 5758 1 1346 . 1 1 145 145 GLN CB C 13 28.554 0.20 . 1 . . . . . . . . 5758 1 1347 . 1 1 145 145 GLN HB2 H 1 1.910 0.02 . 2 . . . . . . . . 5758 1 1348 . 1 1 145 145 GLN CG C 13 34.000 0.20 . 1 . . . . . . . . 5758 1 1349 . 1 1 145 145 GLN HG2 H 1 2.400 0.02 . 2 . . . . . . . . 5758 1 1350 . 1 1 145 145 GLN HG3 H 1 2.520 0.02 . 2 . . . . . . . . 5758 1 1351 . 1 1 145 145 GLN NE2 N 15 112.261 0.20 . 1 . . . . . . . . 5758 1 1352 . 1 1 145 145 GLN HE21 H 1 6.870 0.02 . 2 . . . . . . . . 5758 1 1353 . 1 1 145 145 GLN HE22 H 1 7.600 0.02 . 2 . . . . . . . . 5758 1 1354 . 1 1 145 145 GLN C C 13 177.536 0.20 . 1 . . . . . . . . 5758 1 1355 . 1 1 146 146 GLY N N 15 107.376 0.20 . 1 . . . . . . . . 5758 1 1356 . 1 1 146 146 GLY H H 1 7.825 0.02 . 1 . . . . . . . . 5758 1 1357 . 1 1 146 146 GLY CA C 13 45.736 0.20 . 1 . . . . . . . . 5758 1 1358 . 1 1 146 146 GLY HA2 H 1 3.730 0.02 . 2 . . . . . . . . 5758 1 1359 . 1 1 146 146 GLY C C 13 174.526 0.20 . 1 . . . . . . . . 5758 1 1360 . 1 1 147 147 TYR N N 15 119.893 0.20 . 1 . . . . . . . . 5758 1 1361 . 1 1 147 147 TYR H H 1 7.744 0.02 . 1 . . . . . . . . 5758 1 1362 . 1 1 147 147 TYR CA C 13 58.277 0.20 . 1 . . . . . . . . 5758 1 1363 . 1 1 147 147 TYR HA H 1 4.454 0.02 . 1 . . . . . . . . 5758 1 1364 . 1 1 147 147 TYR CB C 13 38.093 0.20 . 1 . . . . . . . . 5758 1 1365 . 1 1 147 147 TYR HB2 H 1 3.050 0.02 . 2 . . . . . . . . 5758 1 1366 . 1 1 147 147 TYR HB3 H 1 2.930 0.02 . 2 . . . . . . . . 5758 1 1367 . 1 1 147 147 TYR HD1 H 1 6.930 0.02 . 2 . . . . . . . . 5758 1 1368 . 1 1 147 147 TYR CE1 C 13 117.780 0.20 . 2 . . . . . . . . 5758 1 1369 . 1 1 147 147 TYR HE1 H 1 7.160 0.02 . 2 . . . . . . . . 5758 1 1370 . 1 1 147 147 TYR C C 13 176.425 0.20 . 1 . . . . . . . . 5758 1 stop_ save_