data_6448 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6448 _Entry.Title ; Solution structure of the hypothetical protein ytfP from Escherichia coli. Northeast Structural Genomics target ER111. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-12-28 _Entry.Accession_date 2004-12-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 J. Aramini . M. . 6448 2 Y. Huang . J. . 6448 3 G. Swapna . V.T. . 6448 4 R. Paranji . K. . 6448 5 R. Xiao . . . 6448 6 R. Shastry . . . 6448 7 T. Acton . B. . 6448 8 J. Cort . R. . 6448 9 M. Kennedy . A. . 6448 10 G. Montelione . T. . 6448 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6448 coupling_constants 1 6448 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 797 6448 '13C chemical shifts' 508 6448 '15N chemical shifts' 127 6448 'coupling constants' 61 6448 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 4 . . 2009-07-03 2004-12-28 update BMRB 'added time domain data' 6448 3 . . 2006-01-10 2004-12-28 update author 'correct one ambiguity code' 6448 2 . . 2005-10-20 2004-12-28 update author 'update the experimental source' 6448 1 . . 2005-06-12 2004-12-28 original author 'original release' 6448 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6448 _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 ; 1H, 13C, and 15N Resonance Assignments for Escherichia coli ytfP, a Member of the Broadly Conserved UPF0131 Protein Domain Family ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 33 _Citation.Journal_issue 3 _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 197 _Citation.Page_last 197 _Citation.Year 2005 _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 J. Aramini . M. . 6448 1 2 G. Swapna . V.T. . 6448 1 3 Y. Huang . J. . 6448 1 4 P. Rajan . K. . 6448 1 5 R. Xiao . . . 6448 1 6 R. Shastry . . . 6448 1 7 T. Acton . B. . 6448 1 8 J. Cort . R. . 6448 1 9 M. Kennedy . A. . 6448 1 10 G. Montelione . T. . 6448 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ER111 6448 1 'NMR structure' 6448 1 AUTOSTRUCTURE 6448 1 'Northeast Structural Genomics Consortium' 6448 1 NESG 6448 1 'Protein Structure Initiative' 6448 1 PSI 6448 1 'Structural Genomics' 6448 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system _Assembly.Sf_category assembly _Assembly.Sf_framecode system _Assembly.Entry_ID 6448 _Assembly.ID 1 _Assembly.Name 'Hypothetical UPF0131 protein ytfP' _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 6448 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 'Hypothetical UPF0131 protein ytfP' 1 $ytfP . . . native . . . . . 6448 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 1XHS . . . . . . 6448 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Hypothetical UPF0131 protein ytfP' system 6448 1 'Hypothetical UPF0131 protein ytfP' abbreviation 6448 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ytfP _Entity.Sf_category entity _Entity.Sf_framecode ytfP _Entity.Entry_ID 6448 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Hypothetical UPF0131 protein ytfP' _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 ; MRIFVYGSLRHKQGNSHWMT NAQLLGDFSIDNYQLYSLGH YPGAVPGNGTVHGEVYRIDN ATLAELDALRTRGGEYARQL IQTPYGSAWMYVYQRPVDGL KLIESGDWLDRDKLEHHHHH H ; _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 121 _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 . _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 PDB 1XHS . "Solution Nmr Structure Of Protein Ytfp From Escherichia Coli. Northeast Structural Genomics Consortium Target Er111" . . . . . 100.00 121 100.00 100.00 3.80e-83 . . . . 6448 1 2 no DBJ BAB38623 . "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 93.39 113 100.00 100.00 8.71e-77 . . . . 6448 1 3 no DBJ BAE78223 . "conserved hypothetical protein [Escherichia coli str. K-12 substr. W3110]" . . . . . 93.39 113 100.00 100.00 8.71e-77 . . . . 6448 1 4 no DBJ BAG80052 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 93.39 113 100.00 100.00 8.71e-77 . . . . 6448 1 5 no DBJ BAI28527 . "conserved predicted protein [Escherichia coli O26:H11 str. 11368]" . . . . . 93.39 113 100.00 100.00 8.71e-77 . . . . 6448 1 6 no DBJ BAI33701 . "conserved predicted protein [Escherichia coli O103:H2 str. 12009]" . . . . . 93.39 113 100.00 100.00 8.71e-77 . . . . 6448 1 7 no EMBL CAP78743 . "UPF0131 protein ytfP [Escherichia coli LF82]" . . . . . 93.39 113 100.00 100.00 8.71e-77 . . . . 6448 1 8 no EMBL CAQ34574 . "conserved protein [Escherichia coli BL21(DE3)]" . . . . . 93.39 113 100.00 100.00 8.71e-77 . . . . 6448 1 9 no EMBL CAQ91721 . "conserved hypothetical protein [Escherichia fergusonii ATCC 35469]" . . . . . 93.39 113 100.00 100.00 8.71e-77 . . . . 6448 1 10 no EMBL CAR01197 . "conserved hypothetical protein [Escherichia coli IAI1]" . . . . . 93.39 113 100.00 100.00 8.71e-77 . . . . 6448 1 11 no EMBL CAR05964 . "conserved hypothetical protein [Escherichia coli S88]" . . . . . 93.39 113 99.12 99.12 1.03e-75 . . . . 6448 1 12 no GB AAA97119 . "ORF_o113 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 93.39 113 100.00 100.00 8.71e-77 . . . . 6448 1 13 no GB AAC77179 . "GGCT-like protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 93.39 113 100.00 100.00 8.71e-77 . . . . 6448 1 14 no GB AAG59420 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 93.39 113 100.00 100.00 8.71e-77 . . . . 6448 1 15 no GB AAN45683 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 93.39 113 100.00 100.00 8.71e-77 . . . . 6448 1 16 no GB AAN83741 . "Hypothetical protein ytfP [Escherichia coli CFT073]" . . . . . 93.39 113 100.00 100.00 8.71e-77 . . . . 6448 1 17 no REF NP_290854 . "hypothetical protein Z5833 [Escherichia coli O157:H7 str. EDL933]" . . . . . 93.39 113 100.00 100.00 8.71e-77 . . . . 6448 1 18 no REF NP_313227 . "hypothetical protein ECs5200 [Escherichia coli O157:H7 str. Sakai]" . . . . . 93.39 113 100.00 100.00 8.71e-77 . . . . 6448 1 19 no REF NP_418643 . "GGCT-like protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 93.39 113 100.00 100.00 8.71e-77 . . . . 6448 1 20 no REF NP_709976 . "hypothetical protein SF4265 [Shigella flexneri 2a str. 301]" . . . . . 93.39 113 100.00 100.00 8.71e-77 . . . . 6448 1 21 no REF NP_757167 . "hypothetical protein c5320 [Escherichia coli CFT073]" . . . . . 93.39 113 100.00 100.00 8.71e-77 . . . . 6448 1 22 no SP P0AE48 . "RecName: Full=Gamma-glutamylcyclotransferase family protein YtfP [Escherichia coli K-12]" . . . . . 93.39 113 100.00 100.00 8.71e-77 . . . . 6448 1 23 no SP P0AE49 . "RecName: Full=Gamma-glutamylcyclotransferase family protein YtfP [Escherichia coli CFT073]" . . . . . 93.39 113 100.00 100.00 8.71e-77 . . . . 6448 1 24 no SP P0AE50 . "RecName: Full=Gamma-glutamylcyclotransferase family protein YtfP [Escherichia coli O157:H7]" . . . . . 93.39 113 100.00 100.00 8.71e-77 . . . . 6448 1 25 no SP P0AE51 . "RecName: Full=Gamma-glutamylcyclotransferase family protein YtfP [Shigella flexneri]" . . . . . 93.39 113 100.00 100.00 8.71e-77 . . . . 6448 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Hypothetical UPF0131 protein ytfP' common 6448 1 'Hypothetical UPF0131 protein ytfP' abbreviation 6448 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6448 1 2 . ARG . 6448 1 3 . ILE . 6448 1 4 . PHE . 6448 1 5 . VAL . 6448 1 6 . TYR . 6448 1 7 . GLY . 6448 1 8 . SER . 6448 1 9 . LEU . 6448 1 10 . ARG . 6448 1 11 . HIS . 6448 1 12 . LYS . 6448 1 13 . GLN . 6448 1 14 . GLY . 6448 1 15 . ASN . 6448 1 16 . SER . 6448 1 17 . HIS . 6448 1 18 . TRP . 6448 1 19 . MET . 6448 1 20 . THR . 6448 1 21 . ASN . 6448 1 22 . ALA . 6448 1 23 . GLN . 6448 1 24 . LEU . 6448 1 25 . LEU . 6448 1 26 . GLY . 6448 1 27 . ASP . 6448 1 28 . PHE . 6448 1 29 . SER . 6448 1 30 . ILE . 6448 1 31 . ASP . 6448 1 32 . ASN . 6448 1 33 . TYR . 6448 1 34 . GLN . 6448 1 35 . LEU . 6448 1 36 . TYR . 6448 1 37 . SER . 6448 1 38 . LEU . 6448 1 39 . GLY . 6448 1 40 . HIS . 6448 1 41 . TYR . 6448 1 42 . PRO . 6448 1 43 . GLY . 6448 1 44 . ALA . 6448 1 45 . VAL . 6448 1 46 . PRO . 6448 1 47 . GLY . 6448 1 48 . ASN . 6448 1 49 . GLY . 6448 1 50 . THR . 6448 1 51 . VAL . 6448 1 52 . HIS . 6448 1 53 . GLY . 6448 1 54 . GLU . 6448 1 55 . VAL . 6448 1 56 . TYR . 6448 1 57 . ARG . 6448 1 58 . ILE . 6448 1 59 . ASP . 6448 1 60 . ASN . 6448 1 61 . ALA . 6448 1 62 . THR . 6448 1 63 . LEU . 6448 1 64 . ALA . 6448 1 65 . GLU . 6448 1 66 . LEU . 6448 1 67 . ASP . 6448 1 68 . ALA . 6448 1 69 . LEU . 6448 1 70 . ARG . 6448 1 71 . THR . 6448 1 72 . ARG . 6448 1 73 . GLY . 6448 1 74 . GLY . 6448 1 75 . GLU . 6448 1 76 . TYR . 6448 1 77 . ALA . 6448 1 78 . ARG . 6448 1 79 . GLN . 6448 1 80 . LEU . 6448 1 81 . ILE . 6448 1 82 . GLN . 6448 1 83 . THR . 6448 1 84 . PRO . 6448 1 85 . TYR . 6448 1 86 . GLY . 6448 1 87 . SER . 6448 1 88 . ALA . 6448 1 89 . TRP . 6448 1 90 . MET . 6448 1 91 . TYR . 6448 1 92 . VAL . 6448 1 93 . TYR . 6448 1 94 . GLN . 6448 1 95 . ARG . 6448 1 96 . PRO . 6448 1 97 . VAL . 6448 1 98 . ASP . 6448 1 99 . GLY . 6448 1 100 . LEU . 6448 1 101 . LYS . 6448 1 102 . LEU . 6448 1 103 . ILE . 6448 1 104 . GLU . 6448 1 105 . SER . 6448 1 106 . GLY . 6448 1 107 . ASP . 6448 1 108 . TRP . 6448 1 109 . LEU . 6448 1 110 . ASP . 6448 1 111 . ARG . 6448 1 112 . ASP . 6448 1 113 . LYS . 6448 1 114 . LEU . 6448 1 115 . GLU . 6448 1 116 . HIS . 6448 1 117 . HIS . 6448 1 118 . HIS . 6448 1 119 . HIS . 6448 1 120 . HIS . 6448 1 121 . HIS . 6448 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6448 1 . ARG 2 2 6448 1 . ILE 3 3 6448 1 . PHE 4 4 6448 1 . VAL 5 5 6448 1 . TYR 6 6 6448 1 . GLY 7 7 6448 1 . SER 8 8 6448 1 . LEU 9 9 6448 1 . ARG 10 10 6448 1 . HIS 11 11 6448 1 . LYS 12 12 6448 1 . GLN 13 13 6448 1 . GLY 14 14 6448 1 . ASN 15 15 6448 1 . SER 16 16 6448 1 . HIS 17 17 6448 1 . TRP 18 18 6448 1 . MET 19 19 6448 1 . THR 20 20 6448 1 . ASN 21 21 6448 1 . ALA 22 22 6448 1 . GLN 23 23 6448 1 . LEU 24 24 6448 1 . LEU 25 25 6448 1 . GLY 26 26 6448 1 . ASP 27 27 6448 1 . PHE 28 28 6448 1 . SER 29 29 6448 1 . ILE 30 30 6448 1 . ASP 31 31 6448 1 . ASN 32 32 6448 1 . TYR 33 33 6448 1 . GLN 34 34 6448 1 . LEU 35 35 6448 1 . TYR 36 36 6448 1 . SER 37 37 6448 1 . LEU 38 38 6448 1 . GLY 39 39 6448 1 . HIS 40 40 6448 1 . TYR 41 41 6448 1 . PRO 42 42 6448 1 . GLY 43 43 6448 1 . ALA 44 44 6448 1 . VAL 45 45 6448 1 . PRO 46 46 6448 1 . GLY 47 47 6448 1 . ASN 48 48 6448 1 . GLY 49 49 6448 1 . THR 50 50 6448 1 . VAL 51 51 6448 1 . HIS 52 52 6448 1 . GLY 53 53 6448 1 . GLU 54 54 6448 1 . VAL 55 55 6448 1 . TYR 56 56 6448 1 . ARG 57 57 6448 1 . ILE 58 58 6448 1 . ASP 59 59 6448 1 . ASN 60 60 6448 1 . ALA 61 61 6448 1 . THR 62 62 6448 1 . LEU 63 63 6448 1 . ALA 64 64 6448 1 . GLU 65 65 6448 1 . LEU 66 66 6448 1 . ASP 67 67 6448 1 . ALA 68 68 6448 1 . LEU 69 69 6448 1 . ARG 70 70 6448 1 . THR 71 71 6448 1 . ARG 72 72 6448 1 . GLY 73 73 6448 1 . GLY 74 74 6448 1 . GLU 75 75 6448 1 . TYR 76 76 6448 1 . ALA 77 77 6448 1 . ARG 78 78 6448 1 . GLN 79 79 6448 1 . LEU 80 80 6448 1 . ILE 81 81 6448 1 . GLN 82 82 6448 1 . THR 83 83 6448 1 . PRO 84 84 6448 1 . TYR 85 85 6448 1 . GLY 86 86 6448 1 . SER 87 87 6448 1 . ALA 88 88 6448 1 . TRP 89 89 6448 1 . MET 90 90 6448 1 . TYR 91 91 6448 1 . VAL 92 92 6448 1 . TYR 93 93 6448 1 . GLN 94 94 6448 1 . ARG 95 95 6448 1 . PRO 96 96 6448 1 . VAL 97 97 6448 1 . ASP 98 98 6448 1 . GLY 99 99 6448 1 . LEU 100 100 6448 1 . LYS 101 101 6448 1 . LEU 102 102 6448 1 . ILE 103 103 6448 1 . GLU 104 104 6448 1 . SER 105 105 6448 1 . GLY 106 106 6448 1 . ASP 107 107 6448 1 . TRP 108 108 6448 1 . LEU 109 109 6448 1 . ASP 110 110 6448 1 . ARG 111 111 6448 1 . ASP 112 112 6448 1 . LYS 113 113 6448 1 . LEU 114 114 6448 1 . GLU 115 115 6448 1 . HIS 116 116 6448 1 . HIS 117 117 6448 1 . HIS 118 118 6448 1 . HIS 119 119 6448 1 . HIS 120 120 6448 1 . HIS 121 121 6448 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 6448 _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 $ytfP . 562 . . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 6448 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 6448 _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 $ytfP . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21-MGK . . . . . . . . . . . . . . . PET21 . . . 'plasmid: ER111-21.' . . 6448 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6448 _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 'Hypothetical UPF0131 protein ytfP' '[U-13C; U-15N]' . . 1 $ytfP . . 1.3 . . mM . . . . 6448 1 2 NH4OAC . . . . . . . 20 . . mM . . . . 6448 1 3 CACL2 . . . . . . . 5 . . mM . . . . 6448 1 4 NaCL . . . . . . . 0.1 . . M . . . . 6448 1 5 DTT . . . . . . . 10 . . mM . . . . 6448 1 6 NAN3 . . . . . . . 0.02 . . % . . . . 6448 1 7 D2O . . . . . . . 5 . . % . . . . 6448 1 8 H2O . . . . . . . 95 . . % . . . . 6448 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6448 _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 'Hypothetical UPF0131 protein ytfP' '[U-13C; U-15N]' . . 1 $ytfP . . 1.3 . . mM . . . . 6448 2 2 NH4OAC . . . . . . . 20 . . mM . . . . 6448 2 3 CACL2 . . . . . . . 5 . . mM . . . . 6448 2 4 NaCL . . . . . . . 0.1 . . M . . . . 6448 2 5 DTT . . . . . . . 10 . . mM . . . . 6448 2 6 NAN3 . . . . . . . 0.02 . . % . . . . 6448 2 7 D2O . . . . . . . 100 . . % . . . . 6448 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6448 _Sample.ID 3 _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 'Hypothetical UPF0131 protein ytfP' '[U-5% 13C; U-15N]' . . 1 $ytfP . . 1.1 . . mM . . . . 6448 3 2 NH4OAC . . . . . . . 20 . . mM . . . . 6448 3 3 CACL2 . . . . . . . 5 . . mM . . . . 6448 3 4 NaCL . . . . . . . 0.1 . . M . . . . 6448 3 5 DTT . . . . . . . 10 . . mM . . . . 6448 3 6 NAN3 . . . . . . . 0.02 . . % . . . . 6448 3 7 D2O . . . . . . . 5 . . % . . . . 6448 3 8 H2O . . . . . . . 95 . . % . . . . 6448 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6448 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.5 . pH 6448 1 temperature 293 . K 6448 1 'ionic strength' 100 . mM 6448 1 pressure 1 . atm 6448 1 stop_ save_ ############################ # Computer software used # ############################ save_AUTOSTRUCTURE_2.1.0_XPLOR-NIH_2.0.6_CNS _Software.Sf_category software _Software.Sf_framecode AUTOSTRUCTURE_2.1.0_XPLOR-NIH_2.0.6_CNS _Software.Entry_ID 6448 _Software.ID 1 _Software.Name 'AUTOSTRUCTURE 2.1.0, XPLOR-NIH 2.0.6, CNS' _Software.Version 1.1 _Software.Details 'HUANG, MONTELIONE (AUTOSTRUCTURE), SCHWIETERS, CLORE (XPLOR-NIH), BRUNGER (CNS)' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6448 1 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 6448 _Software.ID 2 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6448 2 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 6448 _Software.ID 3 _Software.Name PSVS _Software.Version 1.0 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6448 3 stop_ save_ save_NMRPIPE _Software.Sf_category software _Software.Sf_framecode NMRPIPE _Software.Entry_ID 6448 _Software.ID 4 _Software.Name NMRPIPE _Software.Version 2.3 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6448 4 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 6448 _Software.ID 5 _Software.Name SPARKY _Software.Version 3.91 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6448 5 stop_ save_ save_AUTOASSIGN _Software.Sf_category software _Software.Sf_framecode AUTOASSIGN _Software.Entry_ID 6448 _Software.ID 6 _Software.Name AUTOASSIGN _Software.Version 1.14 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6448 6 stop_ save_ save_HYPER _Software.Sf_category software _Software.Sf_framecode HYPER _Software.Entry_ID 6448 _Software.ID 7 _Software.Name HYPER _Software.Version 3.2 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6448 7 stop_ save_ save_PDBSTAT _Software.Sf_category software _Software.Sf_framecode PDBSTAT _Software.Entry_ID 6448 _Software.ID 8 _Software.Name PDBSTAT _Software.Version 3.27 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6448 8 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6448 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6448 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 6448 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_4 _NMR_spectrometer.Entry_ID 6448 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6448 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian Inova . 800 . . . 6448 1 2 NMR_spectrometer_2 Varian Inova . 750 . . . 6448 1 3 NMR_spectrometer_3 Varian Inova . 600 . . . 6448 1 4 NMR_spectrometer_4 Varian Inova . 500 . . . 6448 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 6448 _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 '3D 15N-SEPARATED NOESY' yes 1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6448 1 2 '3D 13C-SEPARATED NOESY (aliph)' yes 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6448 1 3 '4D 13C-SEPARATED NOESY' yes 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6448 1 4 HNHA yes 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6448 1 5 'HIGH RESOLUTION CH-HSQC' yes 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6448 1 6 '3D HNCO' yes 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6448 1 7 'HCCH TOCSY' yes 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6448 1 8 'HCCH COSY' yes 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6448 1 9 '3D 13C-SEPARATED NOESY (arom)' yes 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6448 1 10 '3D HNCOCACB' yes 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6448 1 11 '3D HNCACB' yes 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6448 1 12 '3D HNCOCA' yes 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6448 1 13 '3D HNCA' yes 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6448 1 14 '3D HNCACO' yes 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6448 1 15 HCCONH yes 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6448 1 16 CCONH yes 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6448 1 17 HACANH yes 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6448 1 18 HACACONH yes 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6448 1 19 HBCBcgcdHD yes 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6448 1 stop_ save_ save_NMR_spectrometer_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1 _NMR_spec_expt.Entry_ID 6448 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-SEPARATED 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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.80.15Nnoesy800_ER111_gnoesyNhsqc.fid/' . . . . . . . 6448 1 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.80.15Nnoesy800_ER111_gnoesyNhsqc.fid/' . . . . . . . 6448 1 gnoesyNhsqc.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.80.15Nnoesy800_ER111_gnoesyNhsqc.fid/' . . . . . . . 6448 1 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.80.15Nnoesy800_ER111_gnoesyNhsqc.fid/' . . . . . . . 6448 1 stop_ save_ save_NMR_spectrometer_expt_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_2 _NMR_spec_expt.Entry_ID 6448 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 13C-SEPARATED NOESY (aliph)' _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.80.13Cnoesyali800_ER111_gnoesyChsqc.fid/' . . . . . . . 6448 2 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.80.13Cnoesyali800_ER111_gnoesyChsqc.fid/' . . . . . . . 6448 2 gnoesyChsqc.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.80.13Cnoesyali800_ER111_gnoesyChsqc.fid/' . . . . . . . 6448 2 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.80.13Cnoesyali800_ER111_gnoesyChsqc.fid/' . . . . . . . 6448 2 stop_ save_ save_NMR_spectrometer_expt_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_3 _NMR_spec_expt.Entry_ID 6448 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '4D 13C-SEPARATED 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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.80.4DCCNOESY_ER111_c4Dnoesy_d2o_pfg_500.fid/' . . . . . . . 6448 3 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.80.4DCCNOESY_ER111_c4Dnoesy_d2o_pfg_500.fid/' . . . . . . . 6448 3 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.80.4DCCNOESY_ER111_c4Dnoesy_d2o_pfg_500.fid/' . . . . . . . 6448 3 stop_ save_ save_NMR_spectrometer_expt_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_4 _NMR_spec_expt.Entry_ID 6448 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNHA _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.80.HNHA750_ER111_ghnha.fid/' . . . . . . . 6448 4 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.80.HNHA750_ER111_ghnha.fid/' . . . . . . . 6448 4 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.80.HNHA750_ER111_ghnha.fid/' . . . . . . . 6448 4 stop_ save_ save_NMR_spectrometer_expt_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_5 _NMR_spec_expt.Entry_ID 6448 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 'HIGH RESOLUTION CH-HSQC' _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.80.stereoMehighres_ER111_gChsqc.fid/' . . . . . . . 6448 5 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.80.stereoMehighres_ER111_gChsqc.fid/' . . . . . . . 6448 5 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.80.stereoMehighres_ER111_gChsqc.fid/' . . . . . . . 6448 5 stop_ save_ save_NMR_spectrometer_expt_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_6 _NMR_spec_expt.Entry_ID 6448 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.0093D_ER111_ghn_co.fid/' . . . . . . . 6448 6 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.0093D_ER111_ghn_co.fid/' . . . . . . . 6448 6 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.0093D_ER111_ghn_co.fid/' . . . . . . . 6448 6 stop_ save_ save_NMR_spectrometer_expt_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_7 _NMR_spec_expt.Entry_ID 6448 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 'HCCH TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.80.HCCHtocsyAromNEW_ER111_hcch_cosy.fid/' . . . . . . . 6448 7 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.80.HCCHtocsyAromNEW_ER111_hcch_cosy.fid/' . . . . . . . 6448 7 hcch_tocsy.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.80.HCCHtocsyAromNEW_ER111_hcch_cosy.fid/' . . . . . . . 6448 7 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.80.HCCHtocsyAromNEW_ER111_hcch_cosy.fid/' . . . . . . . 6448 7 stop_ save_ save_NMR_spectrometer_expt_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_8 _NMR_spec_expt.Entry_ID 6448 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name 'HCCH COSY' _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.80.HCCHcosy750_ER111_hcch_cosy.fid/' . . . . . . . 6448 8 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.80.HCCHcosy750_ER111_hcch_cosy.fid/' . . . . . . . 6448 8 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.80.HCCHcosy750_ER111_hcch_cosy.fid/' . . . . . . . 6448 8 stop_ save_ save_NMR_spectrometer_expt_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_9 _NMR_spec_expt.Entry_ID 6448 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D 13C-SEPARATED NOESY (arom)' _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.80.13Cnoesyarom800_ER111_gnoesyChsqc.fid/' . . . . . . . 6448 9 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.80.13Cnoesyarom800_ER111_gnoesyChsqc.fid/' . . . . . . . 6448 9 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.80.13Cnoesyarom800_ER111_gnoesyChsqc.fid/' . . . . . . . 6448 9 stop_ save_ save_NMR_spectrometer_expt_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_10 _NMR_spec_expt.Entry_ID 6448 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D HNCOCACB' _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.0133D_ER111_ghn_co_cacb_gvts.fid/' . . . . . . . 6448 10 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.0133D_ER111_ghn_co_cacb_gvts.fid/' . . . . . . . 6448 10 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.0133D_ER111_ghn_co_cacb_gvts.fid/' . . . . . . . 6448 10 stop_ save_ save_NMR_spectrometer_expt_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_11 _NMR_spec_expt.Entry_ID 6448 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D 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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.0183D_ER111_ghn_cacb.fid/' . . . . . . . 6448 11 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.0183D_ER111_ghn_cacb.fid/' . . . . . . . 6448 11 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.0183D_ER111_ghn_cacb.fid/' . . . . . . . 6448 11 stop_ save_ save_NMR_spectrometer_expt_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_12 _NMR_spec_expt.Entry_ID 6448 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D HNCOCA' _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.0213D_ER111_ghn_co_ca.fid/' . . . . . . . 6448 12 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.0213D_ER111_ghn_co_ca.fid/' . . . . . . . 6448 12 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.0213D_ER111_ghn_co_ca.fid/' . . . . . . . 6448 12 stop_ save_ save_NMR_spectrometer_expt_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_13 _NMR_spec_expt.Entry_ID 6448 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '3D 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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.0243D_ER111_ghn_ca.fid/' . . . . . . . 6448 13 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.0243D_ER111_ghn_ca.fid/' . . . . . . . 6448 13 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.0243D_ER111_ghn_ca.fid/' . . . . . . . 6448 13 stop_ save_ save_NMR_spectrometer_expt_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_14 _NMR_spec_expt.Entry_ID 6448 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '3D HNCACO' _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.027_ER111_ghn_ca_co.fid/' . . . . . . . 6448 14 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.027_ER111_ghn_ca_co.fid/' . . . . . . . 6448 14 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.027_ER111_ghn_ca_co.fid/' . . . . . . . 6448 14 stop_ save_ save_NMR_spectrometer_expt_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_15 _NMR_spec_expt.Entry_ID 6448 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name HCCONH _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.0333D_ER111_ghc_co_nh.fid/' . . . . . . . 6448 15 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.0333D_ER111_ghc_co_nh.fid/' . . . . . . . 6448 15 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.0333D_ER111_ghc_co_nh.fid/' . . . . . . . 6448 15 stop_ save_ save_NMR_spectrometer_expt_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_16 _NMR_spec_expt.Entry_ID 6448 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name CCONH _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.036_ER111_gc_co_nh.fid/' . . . . . . . 6448 16 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.036_ER111_gc_co_nh.fid/' . . . . . . . 6448 16 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.036_ER111_gc_co_nh.fid/' . . . . . . . 6448 16 stop_ save_ save_NMR_spectrometer_expt_17 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_17 _NMR_spec_expt.Entry_ID 6448 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name HACANH _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.045_ER111_pfg_H_hacanh_se1.fid/' . . . . . . . 6448 17 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.045_ER111_pfg_H_hacanh_se1.fid/' . . . . . . . 6448 17 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.045_ER111_pfg_H_hacanh_se1.fid/' . . . . . . . 6448 17 stop_ save_ save_NMR_spectrometer_expt_18 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_18 _NMR_spec_expt.Entry_ID 6448 _NMR_spec_expt.ID 18 _NMR_spec_expt.Name HACACONH _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.048_ER111_pfg_H_hacaconh_se1.fid/' . . . . . . . 6448 18 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.048_ER111_pfg_H_hacaconh_se1.fid/' . . . . . . . 6448 18 pfg_H_hacaconh_se2.c 'pulse program' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.048_ER111_pfg_H_hacaconh_se1.fid/' . . . . . . . 6448 18 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.048_ER111_pfg_H_hacaconh_se1.fid/' . . . . . . . 6448 18 stop_ save_ save_NMR_spectrometer_expt_19 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_19 _NMR_spec_expt.Entry_ID 6448 _NMR_spec_expt.ID 19 _NMR_spec_expt.Name HBCBcgcdHD _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID . 'NMR Experiment Directory' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.80.HBCBcgcdHD.flga_ER111_HBCBcgcdHD_RD1.fid/' . . . . . . . 6448 19 fid 'raw spectral data' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.80.HBCBcgcdHD.flga_ER111_HBCBcgcdHD_RD1.fid/' . . . . . . . 6448 19 procpar 'processing parameters' 'http://www.bmrb.wisc.edu/data_library/timedomain/1/bmr6448/timedomain_data/PKR.VI.80.HBCBcgcdHD.flga_ER111_HBCBcgcdHD_RD1.fid/' . . . . . . . 6448 19 stop_ 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 6448 _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 . . . . . . . . . 6448 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6448 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6448 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6448 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6448 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.401 0.02 . 1 . . . . . . . . 6448 1 2 . 1 1 1 1 MET HB2 H 1 2.327 0.02 . 1 . . . . . . . . 6448 1 3 . 1 1 1 1 MET HB3 H 1 2.327 0.02 . 1 . . . . . . . . 6448 1 4 . 1 1 1 1 MET HG2 H 1 2.732 0.02 . 1 . . . . . . . . 6448 1 5 . 1 1 1 1 MET HG3 H 1 2.732 0.02 . 1 . . . . . . . . 6448 1 6 . 1 1 1 1 MET HE1 H 1 2.102 0.02 . 1 . . . . . . . . 6448 1 7 . 1 1 1 1 MET HE2 H 1 2.102 0.02 . 1 . . . . . . . . 6448 1 8 . 1 1 1 1 MET HE3 H 1 2.102 0.02 . 1 . . . . . . . . 6448 1 9 . 1 1 1 1 MET C C 13 171.884 0.15 . 1 . . . . . . . . 6448 1 10 . 1 1 1 1 MET CA C 13 55.182 0.15 . 1 . . . . . . . . 6448 1 11 . 1 1 1 1 MET CB C 13 32.898 0.15 . 1 . . . . . . . . 6448 1 12 . 1 1 1 1 MET CG C 13 31.365 0.15 . 1 . . . . . . . . 6448 1 13 . 1 1 1 1 MET CE C 13 17.025 0.15 . 1 . . . . . . . . 6448 1 14 . 1 1 2 2 ARG H H 1 9.020 0.02 . 1 . . . . . . . . 6448 1 15 . 1 1 2 2 ARG HA H 1 5.832 0.02 . 1 . . . . . . . . 6448 1 16 . 1 1 2 2 ARG HB2 H 1 2.118 0.02 . 2 . . . . . . . . 6448 1 17 . 1 1 2 2 ARG HB3 H 1 1.471 0.02 . 2 . . . . . . . . 6448 1 18 . 1 1 2 2 ARG HG2 H 1 1.410 0.02 . 2 . . . . . . . . 6448 1 19 . 1 1 2 2 ARG HG3 H 1 1.556 0.02 . 2 . . . . . . . . 6448 1 20 . 1 1 2 2 ARG HD2 H 1 3.256 0.02 . 2 . . . . . . . . 6448 1 21 . 1 1 2 2 ARG HD3 H 1 2.334 0.02 . 2 . . . . . . . . 6448 1 22 . 1 1 2 2 ARG HE H 1 7.591 0.02 . 1 . . . . . . . . 6448 1 23 . 1 1 2 2 ARG C C 13 175.031 0.15 . 1 . . . . . . . . 6448 1 24 . 1 1 2 2 ARG CA C 13 54.859 0.15 . 1 . . . . . . . . 6448 1 25 . 1 1 2 2 ARG CB C 13 34.091 0.15 . 1 . . . . . . . . 6448 1 26 . 1 1 2 2 ARG CG C 13 28.665 0.15 . 1 . . . . . . . . 6448 1 27 . 1 1 2 2 ARG CD C 13 43.074 0.15 . 1 . . . . . . . . 6448 1 28 . 1 1 2 2 ARG N N 15 120.528 0.15 . 1 . . . . . . . . 6448 1 29 . 1 1 2 2 ARG NE N 15 83.197 0.15 . 1 . . . . . . . . 6448 1 30 . 1 1 3 3 ILE H H 1 9.442 0.02 . 1 . . . . . . . . 6448 1 31 . 1 1 3 3 ILE HA H 1 5.407 0.02 . 1 . . . . . . . . 6448 1 32 . 1 1 3 3 ILE HB H 1 1.715 0.02 . 1 . . . . . . . . 6448 1 33 . 1 1 3 3 ILE HG12 H 1 1.142 0.02 . 2 . . . . . . . . 6448 1 34 . 1 1 3 3 ILE HG13 H 1 1.746 0.02 . 2 . . . . . . . . 6448 1 35 . 1 1 3 3 ILE HG21 H 1 1.116 0.02 . 1 . . . . . . . . 6448 1 36 . 1 1 3 3 ILE HG22 H 1 1.116 0.02 . 1 . . . . . . . . 6448 1 37 . 1 1 3 3 ILE HG23 H 1 1.116 0.02 . 1 . . . . . . . . 6448 1 38 . 1 1 3 3 ILE HD11 H 1 0.804 0.02 . 1 . . . . . . . . 6448 1 39 . 1 1 3 3 ILE HD12 H 1 0.804 0.02 . 1 . . . . . . . . 6448 1 40 . 1 1 3 3 ILE HD13 H 1 0.804 0.02 . 1 . . . . . . . . 6448 1 41 . 1 1 3 3 ILE C C 13 171.762 0.15 . 1 . . . . . . . . 6448 1 42 . 1 1 3 3 ILE CA C 13 58.481 0.15 . 1 . . . . . . . . 6448 1 43 . 1 1 3 3 ILE CB C 13 43.382 0.15 . 1 . . . . . . . . 6448 1 44 . 1 1 3 3 ILE CG1 C 13 27.991 0.15 . 1 . . . . . . . . 6448 1 45 . 1 1 3 3 ILE CG2 C 13 17.102 0.15 . 1 . . . . . . . . 6448 1 46 . 1 1 3 3 ILE CD1 C 13 14.968 0.15 . 1 . . . . . . . . 6448 1 47 . 1 1 3 3 ILE N N 15 118.219 0.15 . 1 . . . . . . . . 6448 1 48 . 1 1 4 4 PHE H H 1 9.506 0.02 . 1 . . . . . . . . 6448 1 49 . 1 1 4 4 PHE HA H 1 5.569 0.02 . 1 . . . . . . . . 6448 1 50 . 1 1 4 4 PHE HB2 H 1 3.018 0.02 . 2 . . . . . . . . 6448 1 51 . 1 1 4 4 PHE HB3 H 1 2.705 0.02 . 2 . . . . . . . . 6448 1 52 . 1 1 4 4 PHE HD1 H 1 7.227 0.02 . 1 . . . . . . . . 6448 1 53 . 1 1 4 4 PHE HD2 H 1 7.227 0.02 . 1 . . . . . . . . 6448 1 54 . 1 1 4 4 PHE HE1 H 1 7.176 0.02 . 1 . . . . . . . . 6448 1 55 . 1 1 4 4 PHE HE2 H 1 7.176 0.02 . 1 . . . . . . . . 6448 1 56 . 1 1 4 4 PHE HZ H 1 7.197 0.02 . 1 . . . . . . . . 6448 1 57 . 1 1 4 4 PHE C C 13 173.110 0.15 . 1 . . . . . . . . 6448 1 58 . 1 1 4 4 PHE CA C 13 55.429 0.15 . 1 . . . . . . . . 6448 1 59 . 1 1 4 4 PHE CB C 13 41.623 0.15 . 1 . . . . . . . . 6448 1 60 . 1 1 4 4 PHE CD1 C 13 130.591 0.15 . 1 . . . . . . . . 6448 1 61 . 1 1 4 4 PHE CE1 C 13 129.907 0.15 . 1 . . . . . . . . 6448 1 62 . 1 1 4 4 PHE CD2 C 13 130.591 0.15 . 1 . . . . . . . . 6448 1 63 . 1 1 4 4 PHE CE2 C 13 129.907 0.15 . 1 . . . . . . . . 6448 1 64 . 1 1 4 4 PHE CZ C 13 127.732 0.15 . 1 . . . . . . . . 6448 1 65 . 1 1 4 4 PHE N N 15 128.986 0.15 . 1 . . . . . . . . 6448 1 66 . 1 1 5 5 VAL H H 1 9.110 0.02 . 1 . . . . . . . . 6448 1 67 . 1 1 5 5 VAL HA H 1 4.497 0.02 . 1 . . . . . . . . 6448 1 68 . 1 1 5 5 VAL HB H 1 2.167 0.02 . 1 . . . . . . . . 6448 1 69 . 1 1 5 5 VAL HG11 H 1 0.764 0.02 . 1 . . . . . . . . 6448 1 70 . 1 1 5 5 VAL HG12 H 1 0.764 0.02 . 1 . . . . . . . . 6448 1 71 . 1 1 5 5 VAL HG13 H 1 0.764 0.02 . 1 . . . . . . . . 6448 1 72 . 1 1 5 5 VAL HG21 H 1 0.937 0.02 . 1 . . . . . . . . 6448 1 73 . 1 1 5 5 VAL HG22 H 1 0.937 0.02 . 1 . . . . . . . . 6448 1 74 . 1 1 5 5 VAL HG23 H 1 0.937 0.02 . 1 . . . . . . . . 6448 1 75 . 1 1 5 5 VAL C C 13 174.505 0.15 . 1 . . . . . . . . 6448 1 76 . 1 1 5 5 VAL CA C 13 59.153 0.15 . 1 . . . . . . . . 6448 1 77 . 1 1 5 5 VAL CB C 13 34.092 0.15 . 1 . . . . . . . . 6448 1 78 . 1 1 5 5 VAL CG1 C 13 22.744 0.15 . 1 . . . . . . . . 6448 1 79 . 1 1 5 5 VAL CG2 C 13 19.706 0.15 . 1 . . . . . . . . 6448 1 80 . 1 1 5 5 VAL N N 15 119.916 0.15 . 1 . . . . . . . . 6448 1 81 . 1 1 6 6 TYR H H 1 7.693 0.02 . 1 . . . . . . . . 6448 1 82 . 1 1 6 6 TYR HA H 1 5.033 0.02 . 1 . . . . . . . . 6448 1 83 . 1 1 6 6 TYR HB2 H 1 3.297 0.02 . 2 . . . . . . . . 6448 1 84 . 1 1 6 6 TYR HB3 H 1 2.125 0.02 . 2 . . . . . . . . 6448 1 85 . 1 1 6 6 TYR HD1 H 1 6.729 0.02 . 1 . . . . . . . . 6448 1 86 . 1 1 6 6 TYR HD2 H 1 6.729 0.02 . 1 . . . . . . . . 6448 1 87 . 1 1 6 6 TYR C C 13 175.272 0.15 . 1 . . . . . . . . 6448 1 88 . 1 1 6 6 TYR CA C 13 55.323 0.15 . 1 . . . . . . . . 6448 1 89 . 1 1 6 6 TYR CB C 13 40.120 0.15 . 1 . . . . . . . . 6448 1 90 . 1 1 6 6 TYR CD1 C 13 132.835 0.15 . 1 . . . . . . . . 6448 1 91 . 1 1 6 6 TYR CD2 C 13 132.835 0.15 . 1 . . . . . . . . 6448 1 92 . 1 1 6 6 TYR N N 15 116.954 0.15 . 1 . . . . . . . . 6448 1 93 . 1 1 7 7 GLY H H 1 7.527 0.02 . 1 . . . . . . . . 6448 1 94 . 1 1 7 7 GLY HA2 H 1 4.073 0.02 . 2 . . . . . . . . 6448 1 95 . 1 1 7 7 GLY HA3 H 1 4.096 0.02 . 2 . . . . . . . . 6448 1 96 . 1 1 7 7 GLY C C 13 174.019 0.15 . 1 . . . . . . . . 6448 1 97 . 1 1 7 7 GLY CA C 13 45.035 0.15 . 1 . . . . . . . . 6448 1 98 . 1 1 7 7 GLY N N 15 115.535 0.15 . 1 . . . . . . . . 6448 1 99 . 1 1 8 8 SER H H 1 8.319 0.02 . 1 . . . . . . . . 6448 1 100 . 1 1 8 8 SER HA H 1 4.222 0.02 . 1 . . . . . . . . 6448 1 101 . 1 1 8 8 SER HB2 H 1 3.926 0.02 . 1 . . . . . . . . 6448 1 102 . 1 1 8 8 SER HB3 H 1 3.926 0.02 . 1 . . . . . . . . 6448 1 103 . 1 1 8 8 SER C C 13 174.649 0.15 . 1 . . . . . . . . 6448 1 104 . 1 1 8 8 SER CA C 13 60.794 0.15 . 1 . . . . . . . . 6448 1 105 . 1 1 8 8 SER CB C 13 63.395 0.15 . 1 . . . . . . . . 6448 1 106 . 1 1 8 8 SER N N 15 120.967 0.15 . 1 . . . . . . . . 6448 1 107 . 1 1 9 9 LEU H H 1 7.789 0.02 . 1 . . . . . . . . 6448 1 108 . 1 1 9 9 LEU HA H 1 4.192 0.02 . 1 . . . . . . . . 6448 1 109 . 1 1 9 9 LEU HB2 H 1 1.303 0.02 . 2 . . . . . . . . 6448 1 110 . 1 1 9 9 LEU HB3 H 1 0.922 0.02 . 2 . . . . . . . . 6448 1 111 . 1 1 9 9 LEU HG H 1 1.196 0.02 . 1 . . . . . . . . 6448 1 112 . 1 1 9 9 LEU HD11 H 1 0.159 0.02 . 1 . . . . . . . . 6448 1 113 . 1 1 9 9 LEU HD12 H 1 0.159 0.02 . 1 . . . . . . . . 6448 1 114 . 1 1 9 9 LEU HD13 H 1 0.159 0.02 . 1 . . . . . . . . 6448 1 115 . 1 1 9 9 LEU HD21 H 1 0.179 0.02 . 1 . . . . . . . . 6448 1 116 . 1 1 9 9 LEU HD22 H 1 0.179 0.02 . 1 . . . . . . . . 6448 1 117 . 1 1 9 9 LEU HD23 H 1 0.179 0.02 . 1 . . . . . . . . 6448 1 118 . 1 1 9 9 LEU C C 13 177.308 0.15 . 1 . . . . . . . . 6448 1 119 . 1 1 9 9 LEU CA C 13 55.767 0.15 . 1 . . . . . . . . 6448 1 120 . 1 1 9 9 LEU CB C 13 40.479 0.15 . 1 . . . . . . . . 6448 1 121 . 1 1 9 9 LEU CG C 13 26.832 0.15 . 1 . . . . . . . . 6448 1 122 . 1 1 9 9 LEU CD1 C 13 25.147 0.15 . 1 . . . . . . . . 6448 1 123 . 1 1 9 9 LEU CD2 C 13 21.805 0.15 . 1 . . . . . . . . 6448 1 124 . 1 1 9 9 LEU N N 15 120.260 0.15 . 1 . . . . . . . . 6448 1 125 . 1 1 10 10 ARG H H 1 7.679 0.02 . 1 . . . . . . . . 6448 1 126 . 1 1 10 10 ARG HA H 1 4.113 0.02 . 1 . . . . . . . . 6448 1 127 . 1 1 10 10 ARG HB2 H 1 1.659 0.02 . 2 . . . . . . . . 6448 1 128 . 1 1 10 10 ARG HB3 H 1 2.112 0.02 . 2 . . . . . . . . 6448 1 129 . 1 1 10 10 ARG HG2 H 1 1.877 0.02 . 2 . . . . . . . . 6448 1 130 . 1 1 10 10 ARG HG3 H 1 1.473 0.02 . 2 . . . . . . . . 6448 1 131 . 1 1 10 10 ARG HD2 H 1 3.427 0.02 . 2 . . . . . . . . 6448 1 132 . 1 1 10 10 ARG HD3 H 1 3.009 0.02 . 2 . . . . . . . . 6448 1 133 . 1 1 10 10 ARG C C 13 177.210 0.15 . 1 . . . . . . . . 6448 1 134 . 1 1 10 10 ARG CA C 13 57.837 0.15 . 1 . . . . . . . . 6448 1 135 . 1 1 10 10 ARG CB C 13 31.578 0.15 . 1 . . . . . . . . 6448 1 136 . 1 1 10 10 ARG CG C 13 28.292 0.15 . 1 . . . . . . . . 6448 1 137 . 1 1 10 10 ARG CD C 13 44.477 0.15 . 1 . . . . . . . . 6448 1 138 . 1 1 10 10 ARG N N 15 115.407 0.15 . 1 . . . . . . . . 6448 1 139 . 1 1 12 12 LYS HA H 1 4.032 0.02 . 1 . . . . . . . . 6448 1 140 . 1 1 12 12 LYS HB2 H 1 1.918 0.02 . 2 . . . . . . . . 6448 1 141 . 1 1 12 12 LYS HB3 H 1 1.743 0.02 . 2 . . . . . . . . 6448 1 142 . 1 1 12 12 LYS HG2 H 1 1.308 0.02 . 1 . . . . . . . . 6448 1 143 . 1 1 12 12 LYS HG3 H 1 1.308 0.02 . 1 . . . . . . . . 6448 1 144 . 1 1 12 12 LYS HD2 H 1 1.653 0.02 . 1 . . . . . . . . 6448 1 145 . 1 1 12 12 LYS HD3 H 1 1.653 0.02 . 1 . . . . . . . . 6448 1 146 . 1 1 12 12 LYS HE2 H 1 2.994 0.02 . 1 . . . . . . . . 6448 1 147 . 1 1 12 12 LYS HE3 H 1 2.994 0.02 . 1 . . . . . . . . 6448 1 148 . 1 1 12 12 LYS C C 13 174.226 0.15 . 1 . . . . . . . . 6448 1 149 . 1 1 12 12 LYS CA C 13 57.442 0.15 . 1 . . . . . . . . 6448 1 150 . 1 1 12 12 LYS CB C 13 31.799 0.15 . 1 . . . . . . . . 6448 1 151 . 1 1 12 12 LYS CD C 13 29.262 0.15 . 1 . . . . . . . . 6448 1 152 . 1 1 12 12 LYS CE C 13 42.312 0.15 . 1 . . . . . . . . 6448 1 153 . 1 1 12 12 LYS CG C 13 25.514 0.15 . 1 . . . . . . . . 6448 1 154 . 1 1 13 13 GLN HA H 1 4.410 0.02 . 1 . . . . . . . . 6448 1 155 . 1 1 13 13 GLN HB2 H 1 2.145 0.02 . 1 . . . . . . . . 6448 1 156 . 1 1 13 13 GLN HB3 H 1 2.145 0.02 . 1 . . . . . . . . 6448 1 157 . 1 1 13 13 GLN HG2 H 1 2.362 0.02 . 1 . . . . . . . . 6448 1 158 . 1 1 13 13 GLN HG3 H 1 2.362 0.02 . 1 . . . . . . . . 6448 1 159 . 1 1 13 13 GLN HE21 H 1 7.499 0.02 . 1 . . . . . . . . 6448 1 160 . 1 1 13 13 GLN HE22 H 1 6.923 0.02 . 1 . . . . . . . . 6448 1 161 . 1 1 13 13 GLN C C 13 176.209 0.15 . 1 . . . . . . . . 6448 1 162 . 1 1 13 13 GLN CA C 13 55.691 0.15 . 1 . . . . . . . . 6448 1 163 . 1 1 13 13 GLN CB C 13 29.351 0.15 . 1 . . . . . . . . 6448 1 164 . 1 1 13 13 GLN CG C 13 34.062 0.15 . 1 . . . . . . . . 6448 1 165 . 1 1 13 13 GLN NE2 N 15 113.274 0.15 . 1 . . . . . . . . 6448 1 166 . 1 1 14 14 GLY H H 1 8.310 0.02 . 1 . . . . . . . . 6448 1 167 . 1 1 14 14 GLY HA2 H 1 4.012 0.02 . 2 . . . . . . . . 6448 1 168 . 1 1 14 14 GLY HA3 H 1 3.831 0.02 . 2 . . . . . . . . 6448 1 169 . 1 1 14 14 GLY C C 13 173.786 0.15 . 1 . . . . . . . . 6448 1 170 . 1 1 14 14 GLY CA C 13 45.881 0.15 . 1 . . . . . . . . 6448 1 171 . 1 1 14 14 GLY N N 15 108.687 0.15 . 1 . . . . . . . . 6448 1 172 . 1 1 15 15 ASN H H 1 8.236 0.02 . 1 . . . . . . . . 6448 1 173 . 1 1 15 15 ASN HA H 1 4.791 0.02 . 1 . . . . . . . . 6448 1 174 . 1 1 15 15 ASN HB2 H 1 2.780 0.02 . 1 . . . . . . . . 6448 1 175 . 1 1 15 15 ASN HB3 H 1 2.780 0.02 . 1 . . . . . . . . 6448 1 176 . 1 1 15 15 ASN HD21 H 1 6.950 0.02 . 2 . . . . . . . . 6448 1 177 . 1 1 15 15 ASN HD22 H 1 7.550 0.02 . 2 . . . . . . . . 6448 1 178 . 1 1 15 15 ASN C C 13 175.358 0.15 . 1 . . . . . . . . 6448 1 179 . 1 1 15 15 ASN CA C 13 52.877 0.15 . 1 . . . . . . . . 6448 1 180 . 1 1 15 15 ASN CB C 13 38.919 0.15 . 1 . . . . . . . . 6448 1 181 . 1 1 15 15 ASN N N 15 118.592 0.15 . 1 . . . . . . . . 6448 1 182 . 1 1 15 15 ASN ND2 N 15 112.900 0.15 . 1 . . . . . . . . 6448 1 183 . 1 1 16 16 SER H H 1 8.381 0.02 . 1 . . . . . . . . 6448 1 184 . 1 1 16 16 SER HA H 1 4.229 0.02 . 1 . . . . . . . . 6448 1 185 . 1 1 16 16 SER HB2 H 1 3.852 0.02 . 1 . . . . . . . . 6448 1 186 . 1 1 16 16 SER HB3 H 1 3.852 0.02 . 1 . . . . . . . . 6448 1 187 . 1 1 16 16 SER C C 13 175.974 0.15 . 1 . . . . . . . . 6448 1 188 . 1 1 16 16 SER CA C 13 60.221 0.15 . 1 . . . . . . . . 6448 1 189 . 1 1 16 16 SER CB C 13 63.434 0.15 . 1 . . . . . . . . 6448 1 190 . 1 1 16 16 SER N N 15 116.228 0.15 . 1 . . . . . . . . 6448 1 191 . 1 1 17 17 HIS H H 1 8.677 0.02 . 1 . . . . . . . . 6448 1 192 . 1 1 17 17 HIS HA H 1 4.418 0.02 . 1 . . . . . . . . 6448 1 193 . 1 1 17 17 HIS HB2 H 1 3.191 0.02 . 1 . . . . . . . . 6448 1 194 . 1 1 17 17 HIS HB3 H 1 3.191 0.02 . 1 . . . . . . . . 6448 1 195 . 1 1 17 17 HIS HD2 H 1 7.057 0.02 . 1 . . . . . . . . 6448 1 196 . 1 1 17 17 HIS C C 13 176.178 0.15 . 1 . . . . . . . . 6448 1 197 . 1 1 17 17 HIS CA C 13 57.959 0.15 . 1 . . . . . . . . 6448 1 198 . 1 1 17 17 HIS CB C 13 28.349 0.15 . 1 . . . . . . . . 6448 1 199 . 1 1 17 17 HIS CD2 C 13 118.233 0.15 . 1 . . . . . . . . 6448 1 200 . 1 1 17 17 HIS N N 15 121.389 0.15 . 1 . . . . . . . . 6448 1 201 . 1 1 18 18 TRP H H 1 7.997 0.02 . 1 . . . . . . . . 6448 1 202 . 1 1 18 18 TRP HA H 1 4.343 0.02 . 1 . . . . . . . . 6448 1 203 . 1 1 18 18 TRP HB2 H 1 3.109 0.02 . 1 . . . . . . . . 6448 1 204 . 1 1 18 18 TRP HB3 H 1 3.109 0.02 . 1 . . . . . . . . 6448 1 205 . 1 1 18 18 TRP HD1 H 1 6.925 0.02 . 1 . . . . . . . . 6448 1 206 . 1 1 18 18 TRP HE1 H 1 9.497 0.02 . 1 . . . . . . . . 6448 1 207 . 1 1 18 18 TRP HE3 H 1 7.254 0.02 . 1 . . . . . . . . 6448 1 208 . 1 1 18 18 TRP HZ2 H 1 6.664 0.02 . 1 . . . . . . . . 6448 1 209 . 1 1 18 18 TRP HZ3 H 1 6.718 0.02 . 1 . . . . . . . . 6448 1 210 . 1 1 18 18 TRP HH2 H 1 6.668 0.02 . 1 . . . . . . . . 6448 1 211 . 1 1 18 18 TRP C C 13 176.581 0.15 . 1 . . . . . . . . 6448 1 212 . 1 1 18 18 TRP CA C 13 58.973 0.15 . 1 . . . . . . . . 6448 1 213 . 1 1 18 18 TRP CB C 13 29.613 0.15 . 1 . . . . . . . . 6448 1 214 . 1 1 18 18 TRP CD1 C 13 125.465 0.15 . 1 . . . . . . . . 6448 1 215 . 1 1 18 18 TRP CE3 C 13 118.872 0.15 . 1 . . . . . . . . 6448 1 216 . 1 1 18 18 TRP CZ2 C 13 113.014 0.15 . 1 . . . . . . . . 6448 1 217 . 1 1 18 18 TRP CZ3 C 13 119.947 0.15 . 1 . . . . . . . . 6448 1 218 . 1 1 18 18 TRP CH2 C 13 122.461 0.15 . 1 . . . . . . . . 6448 1 219 . 1 1 18 18 TRP N N 15 120.339 0.15 . 1 . . . . . . . . 6448 1 220 . 1 1 18 18 TRP NE1 N 15 128.019 0.15 . 1 . . . . . . . . 6448 1 221 . 1 1 19 19 MET H H 1 7.859 0.02 . 1 . . . . . . . . 6448 1 222 . 1 1 19 19 MET HE1 H 1 1.665 0.02 . 1 . . . . . . . . 6448 1 223 . 1 1 19 19 MET HE2 H 1 1.665 0.02 . 1 . . . . . . . . 6448 1 224 . 1 1 19 19 MET HE3 H 1 1.665 0.02 . 1 . . . . . . . . 6448 1 225 . 1 1 19 19 MET CA C 13 56.758 0.15 . 1 . . . . . . . . 6448 1 226 . 1 1 19 19 MET CB C 13 32.153 0.15 . 1 . . . . . . . . 6448 1 227 . 1 1 19 19 MET CE C 13 16.511 0.15 . 1 . . . . . . . . 6448 1 228 . 1 1 19 19 MET N N 15 115.203 0.15 . 1 . . . . . . . . 6448 1 229 . 1 1 20 20 THR H H 1 7.769 0.02 . 1 . . . . . . . . 6448 1 230 . 1 1 20 20 THR HA H 1 4.048 0.02 . 1 . . . . . . . . 6448 1 231 . 1 1 20 20 THR HB H 1 4.113 0.02 . 1 . . . . . . . . 6448 1 232 . 1 1 20 20 THR HG21 H 1 1.189 0.02 . 1 . . . . . . . . 6448 1 233 . 1 1 20 20 THR HG22 H 1 1.189 0.02 . 1 . . . . . . . . 6448 1 234 . 1 1 20 20 THR HG23 H 1 1.189 0.02 . 1 . . . . . . . . 6448 1 235 . 1 1 20 20 THR C C 13 175.078 0.15 . 1 . . . . . . . . 6448 1 236 . 1 1 20 20 THR CA C 13 64.681 0.15 . 1 . . . . . . . . 6448 1 237 . 1 1 20 20 THR CB C 13 69.384 0.15 . 1 . . . . . . . . 6448 1 238 . 1 1 20 20 THR CG2 C 13 21.549 0.15 . 1 . . . . . . . . 6448 1 239 . 1 1 20 20 THR N N 15 113.245 0.15 . 1 . . . . . . . . 6448 1 240 . 1 1 21 21 ASN H H 1 8.082 0.02 . 1 . . . . . . . . 6448 1 241 . 1 1 21 21 ASN HA H 1 4.748 0.02 . 1 . . . . . . . . 6448 1 242 . 1 1 21 21 ASN HB2 H 1 2.833 0.02 . 2 . . . . . . . . 6448 1 243 . 1 1 21 21 ASN HB3 H 1 2.577 0.02 . 2 . . . . . . . . 6448 1 244 . 1 1 21 21 ASN HD21 H 1 6.865 0.02 . 2 . . . . . . . . 6448 1 245 . 1 1 21 21 ASN HD22 H 1 7.577 0.02 . 2 . . . . . . . . 6448 1 246 . 1 1 21 21 ASN C C 13 174.287 0.15 . 1 . . . . . . . . 6448 1 247 . 1 1 21 21 ASN CA C 13 53.851 0.15 . 1 . . . . . . . . 6448 1 248 . 1 1 21 21 ASN CB C 13 39.607 0.15 . 1 . . . . . . . . 6448 1 249 . 1 1 21 21 ASN N N 15 118.027 0.15 . 1 . . . . . . . . 6448 1 250 . 1 1 21 21 ASN ND2 N 15 113.713 0.15 . 1 . . . . . . . . 6448 1 251 . 1 1 22 22 ALA H H 1 7.641 0.02 . 1 . . . . . . . . 6448 1 252 . 1 1 22 22 ALA HA H 1 4.652 0.02 . 1 . . . . . . . . 6448 1 253 . 1 1 22 22 ALA HB1 H 1 0.641 0.02 . 1 . . . . . . . . 6448 1 254 . 1 1 22 22 ALA HB2 H 1 0.641 0.02 . 1 . . . . . . . . 6448 1 255 . 1 1 22 22 ALA HB3 H 1 0.641 0.02 . 1 . . . . . . . . 6448 1 256 . 1 1 22 22 ALA C C 13 176.805 0.15 . 1 . . . . . . . . 6448 1 257 . 1 1 22 22 ALA CA C 13 51.964 0.15 . 1 . . . . . . . . 6448 1 258 . 1 1 22 22 ALA CB C 13 20.294 0.15 . 1 . . . . . . . . 6448 1 259 . 1 1 22 22 ALA N N 15 123.308 0.15 . 1 . . . . . . . . 6448 1 260 . 1 1 23 23 GLN H H 1 8.540 0.02 . 1 . . . . . . . . 6448 1 261 . 1 1 23 23 GLN HA H 1 4.713 0.02 . 1 . . . . . . . . 6448 1 262 . 1 1 23 23 GLN HB2 H 1 2.009 0.02 . 1 . . . . . . . . 6448 1 263 . 1 1 23 23 GLN HB3 H 1 2.009 0.02 . 1 . . . . . . . . 6448 1 264 . 1 1 23 23 GLN HG2 H 1 2.309 0.02 . 2 . . . . . . . . 6448 1 265 . 1 1 23 23 GLN HG3 H 1 2.223 0.02 . 2 . . . . . . . . 6448 1 266 . 1 1 23 23 GLN HE21 H 1 7.521 0.02 . 1 . . . . . . . . 6448 1 267 . 1 1 23 23 GLN HE22 H 1 6.810 0.02 . 1 . . . . . . . . 6448 1 268 . 1 1 23 23 GLN C C 13 175.041 0.15 . 1 . . . . . . . . 6448 1 269 . 1 1 23 23 GLN CA C 13 54.212 0.15 . 1 . . . . . . . . 6448 1 270 . 1 1 23 23 GLN CB C 13 30.946 0.15 . 1 . . . . . . . . 6448 1 271 . 1 1 23 23 GLN CG C 13 33.352 0.15 . 1 . . . . . . . . 6448 1 272 . 1 1 23 23 GLN N N 15 120.544 0.15 . 1 . . . . . . . . 6448 1 273 . 1 1 23 23 GLN NE2 N 15 112.381 0.15 . 1 . . . . . . . . 6448 1 274 . 1 1 24 24 LEU H H 1 8.995 0.02 . 1 . . . . . . . . 6448 1 275 . 1 1 24 24 LEU HA H 1 3.431 0.02 . 1 . . . . . . . . 6448 1 276 . 1 1 24 24 LEU HB2 H 1 1.682 0.02 . 2 . . . . . . . . 6448 1 277 . 1 1 24 24 LEU HB3 H 1 1.219 0.02 . 2 . . . . . . . . 6448 1 278 . 1 1 24 24 LEU HG H 1 0.948 0.02 . 1 . . . . . . . . 6448 1 279 . 1 1 24 24 LEU HD11 H 1 0.313 0.02 . 1 . . . . . . . . 6448 1 280 . 1 1 24 24 LEU HD12 H 1 0.313 0.02 . 1 . . . . . . . . 6448 1 281 . 1 1 24 24 LEU HD13 H 1 0.313 0.02 . 1 . . . . . . . . 6448 1 282 . 1 1 24 24 LEU HD21 H 1 0.782 0.02 . 1 . . . . . . . . 6448 1 283 . 1 1 24 24 LEU HD22 H 1 0.782 0.02 . 1 . . . . . . . . 6448 1 284 . 1 1 24 24 LEU HD23 H 1 0.782 0.02 . 1 . . . . . . . . 6448 1 285 . 1 1 24 24 LEU C C 13 176.279 0.15 . 1 . . . . . . . . 6448 1 286 . 1 1 24 24 LEU CA C 13 56.283 0.15 . 1 . . . . . . . . 6448 1 287 . 1 1 24 24 LEU CB C 13 41.605 0.15 . 1 . . . . . . . . 6448 1 288 . 1 1 24 24 LEU CG C 13 26.916 0.15 . 1 . . . . . . . . 6448 1 289 . 1 1 24 24 LEU CD1 C 13 21.528 0.15 . 1 . . . . . . . . 6448 1 290 . 1 1 24 24 LEU CD2 C 13 25.947 0.15 . 1 . . . . . . . . 6448 1 291 . 1 1 24 24 LEU N N 15 129.402 0.15 . 1 . . . . . . . . 6448 1 292 . 1 1 25 25 LEU H H 1 9.142 0.02 . 1 . . . . . . . . 6448 1 293 . 1 1 25 25 LEU HA H 1 4.335 0.02 . 1 . . . . . . . . 6448 1 294 . 1 1 25 25 LEU HB2 H 1 0.825 0.02 . 2 . . . . . . . . 6448 1 295 . 1 1 25 25 LEU HB3 H 1 0.686 0.02 . 2 . . . . . . . . 6448 1 296 . 1 1 25 25 LEU HG H 1 1.508 0.02 . 1 . . . . . . . . 6448 1 297 . 1 1 25 25 LEU HD11 H 1 0.717 0.02 . 1 . . . . . . . . 6448 1 298 . 1 1 25 25 LEU HD12 H 1 0.717 0.02 . 1 . . . . . . . . 6448 1 299 . 1 1 25 25 LEU HD13 H 1 0.717 0.02 . 1 . . . . . . . . 6448 1 300 . 1 1 25 25 LEU HD21 H 1 0.709 0.02 . 1 . . . . . . . . 6448 1 301 . 1 1 25 25 LEU HD22 H 1 0.709 0.02 . 1 . . . . . . . . 6448 1 302 . 1 1 25 25 LEU HD23 H 1 0.709 0.02 . 1 . . . . . . . . 6448 1 303 . 1 1 25 25 LEU C C 13 176.659 0.15 . 1 . . . . . . . . 6448 1 304 . 1 1 25 25 LEU CA C 13 55.143 0.15 . 1 . . . . . . . . 6448 1 305 . 1 1 25 25 LEU CB C 13 40.809 0.15 . 1 . . . . . . . . 6448 1 306 . 1 1 25 25 LEU CG C 13 26.369 0.15 . 1 . . . . . . . . 6448 1 307 . 1 1 25 25 LEU CD1 C 13 26.346 0.15 . 1 . . . . . . . . 6448 1 308 . 1 1 25 25 LEU CD2 C 13 21.669 0.15 . 1 . . . . . . . . 6448 1 309 . 1 1 25 25 LEU N N 15 128.114 0.15 . 1 . . . . . . . . 6448 1 310 . 1 1 26 26 GLY H H 1 6.697 0.02 . 1 . . . . . . . . 6448 1 311 . 1 1 26 26 GLY HA2 H 1 4.502 0.02 . 2 . . . . . . . . 6448 1 312 . 1 1 26 26 GLY HA3 H 1 3.727 0.02 . 2 . . . . . . . . 6448 1 313 . 1 1 26 26 GLY C C 13 171.385 0.15 . 1 . . . . . . . . 6448 1 314 . 1 1 26 26 GLY CA C 13 44.748 0.15 . 1 . . . . . . . . 6448 1 315 . 1 1 26 26 GLY N N 15 102.307 0.15 . 1 . . . . . . . . 6448 1 316 . 1 1 27 27 ASP H H 1 8.676 0.02 . 1 . . . . . . . . 6448 1 317 . 1 1 27 27 ASP HA H 1 5.314 0.02 . 1 . . . . . . . . 6448 1 318 . 1 1 27 27 ASP HB2 H 1 2.917 0.02 . 2 . . . . . . . . 6448 1 319 . 1 1 27 27 ASP HB3 H 1 2.826 0.02 . 2 . . . . . . . . 6448 1 320 . 1 1 27 27 ASP C C 13 176.901 0.15 . 1 . . . . . . . . 6448 1 321 . 1 1 27 27 ASP CA C 13 54.320 0.15 . 1 . . . . . . . . 6448 1 322 . 1 1 27 27 ASP CB C 13 42.776 0.15 . 1 . . . . . . . . 6448 1 323 . 1 1 27 27 ASP N N 15 118.791 0.15 . 1 . . . . . . . . 6448 1 324 . 1 1 28 28 PHE H H 1 8.757 0.02 . 1 . . . . . . . . 6448 1 325 . 1 1 28 28 PHE HA H 1 5.042 0.02 . 1 . . . . . . . . 6448 1 326 . 1 1 28 28 PHE HB2 H 1 3.640 0.02 . 2 . . . . . . . . 6448 1 327 . 1 1 28 28 PHE HB3 H 1 2.591 0.02 . 2 . . . . . . . . 6448 1 328 . 1 1 28 28 PHE HD1 H 1 6.867 0.02 . 1 . . . . . . . . 6448 1 329 . 1 1 28 28 PHE HD2 H 1 6.867 0.02 . 1 . . . . . . . . 6448 1 330 . 1 1 28 28 PHE HE1 H 1 7.188 0.02 . 1 . . . . . . . . 6448 1 331 . 1 1 28 28 PHE HE2 H 1 7.188 0.02 . 1 . . . . . . . . 6448 1 332 . 1 1 28 28 PHE HZ H 1 7.351 0.02 . 1 . . . . . . . . 6448 1 333 . 1 1 28 28 PHE C C 13 171.927 0.15 . 1 . . . . . . . . 6448 1 334 . 1 1 28 28 PHE CA C 13 57.925 0.15 . 1 . . . . . . . . 6448 1 335 . 1 1 28 28 PHE CB C 13 42.791 0.15 . 1 . . . . . . . . 6448 1 336 . 1 1 28 28 PHE CD1 C 13 129.067 0.15 . 1 . . . . . . . . 6448 1 337 . 1 1 28 28 PHE CD2 C 13 129.067 0.15 . 1 . . . . . . . . 6448 1 338 . 1 1 28 28 PHE CE2 C 13 131.227 0.15 . 1 . . . . . . . . 6448 1 339 . 1 1 28 28 PHE CE1 C 13 131.227 0.15 . 1 . . . . . . . . 6448 1 340 . 1 1 28 28 PHE CZ C 13 129.353 0.15 . 1 . . . . . . . . 6448 1 341 . 1 1 28 28 PHE N N 15 119.778 0.15 . 1 . . . . . . . . 6448 1 342 . 1 1 29 29 SER H H 1 7.026 0.02 . 1 . . . . . . . . 6448 1 343 . 1 1 29 29 SER HA H 1 5.241 0.02 . 1 . . . . . . . . 6448 1 344 . 1 1 29 29 SER HB2 H 1 3.277 0.02 . 1 . . . . . . . . 6448 1 345 . 1 1 29 29 SER HB3 H 1 3.277 0.02 . 1 . . . . . . . . 6448 1 346 . 1 1 29 29 SER C C 13 170.616 0.15 . 1 . . . . . . . . 6448 1 347 . 1 1 29 29 SER CA C 13 56.520 0.15 . 1 . . . . . . . . 6448 1 348 . 1 1 29 29 SER CB C 13 64.468 0.15 . 1 . . . . . . . . 6448 1 349 . 1 1 29 29 SER N N 15 122.559 0.15 . 1 . . . . . . . . 6448 1 350 . 1 1 30 30 ILE H H 1 8.588 0.02 . 1 . . . . . . . . 6448 1 351 . 1 1 30 30 ILE HA H 1 4.129 0.02 . 1 . . . . . . . . 6448 1 352 . 1 1 30 30 ILE HB H 1 1.070 0.02 . 1 . . . . . . . . 6448 1 353 . 1 1 30 30 ILE HG12 H 1 1.683 0.02 . 2 . . . . . . . . 6448 1 354 . 1 1 30 30 ILE HG13 H 1 1.448 0.02 . 2 . . . . . . . . 6448 1 355 . 1 1 30 30 ILE HG21 H 1 0.675 0.02 . 1 . . . . . . . . 6448 1 356 . 1 1 30 30 ILE HG22 H 1 0.675 0.02 . 1 . . . . . . . . 6448 1 357 . 1 1 30 30 ILE HG23 H 1 0.675 0.02 . 1 . . . . . . . . 6448 1 358 . 1 1 30 30 ILE HD11 H 1 0.838 0.02 . 1 . . . . . . . . 6448 1 359 . 1 1 30 30 ILE HD12 H 1 0.838 0.02 . 1 . . . . . . . . 6448 1 360 . 1 1 30 30 ILE HD13 H 1 0.838 0.02 . 1 . . . . . . . . 6448 1 361 . 1 1 30 30 ILE C C 13 172.957 0.15 . 1 . . . . . . . . 6448 1 362 . 1 1 30 30 ILE CA C 13 58.001 0.15 . 1 . . . . . . . . 6448 1 363 . 1 1 30 30 ILE CB C 13 41.216 0.15 . 1 . . . . . . . . 6448 1 364 . 1 1 30 30 ILE CG1 C 13 28.728 0.15 . 1 . . . . . . . . 6448 1 365 . 1 1 30 30 ILE CG2 C 13 16.560 0.15 . 1 . . . . . . . . 6448 1 366 . 1 1 30 30 ILE CD1 C 13 15.278 0.15 . 1 . . . . . . . . 6448 1 367 . 1 1 30 30 ILE N N 15 122.486 0.15 . 1 . . . . . . . . 6448 1 368 . 1 1 31 31 ASP H H 1 8.118 0.02 . 1 . . . . . . . . 6448 1 369 . 1 1 31 31 ASP HA H 1 5.182 0.02 . 1 . . . . . . . . 6448 1 370 . 1 1 31 31 ASP HB2 H 1 2.688 0.02 . 2 . . . . . . . . 6448 1 371 . 1 1 31 31 ASP HB3 H 1 2.556 0.02 . 2 . . . . . . . . 6448 1 372 . 1 1 31 31 ASP C C 13 175.946 0.15 . 1 . . . . . . . . 6448 1 373 . 1 1 31 31 ASP CA C 13 54.121 0.15 . 1 . . . . . . . . 6448 1 374 . 1 1 31 31 ASP CB C 13 42.400 0.15 . 1 . . . . . . . . 6448 1 375 . 1 1 31 31 ASP N N 15 125.729 0.15 . 1 . . . . . . . . 6448 1 376 . 1 1 32 32 ASN H H 1 8.672 0.02 . 1 . . . . . . . . 6448 1 377 . 1 1 32 32 ASN HA H 1 4.747 0.02 . 1 . . . . . . . . 6448 1 378 . 1 1 32 32 ASN HB2 H 1 3.048 0.02 . 2 . . . . . . . . 6448 1 379 . 1 1 32 32 ASN HB3 H 1 2.878 0.02 . 2 . . . . . . . . 6448 1 380 . 1 1 32 32 ASN HD21 H 1 7.430 0.02 . 1 . . . . . . . . 6448 1 381 . 1 1 32 32 ASN HD22 H 1 6.970 0.02 . 1 . . . . . . . . 6448 1 382 . 1 1 32 32 ASN C C 13 176.347 0.15 . 1 . . . . . . . . 6448 1 383 . 1 1 32 32 ASN CA C 13 55.253 0.15 . 1 . . . . . . . . 6448 1 384 . 1 1 32 32 ASN CB C 13 36.801 0.15 . 1 . . . . . . . . 6448 1 385 . 1 1 32 32 ASN N N 15 113.009 0.15 . 1 . . . . . . . . 6448 1 386 . 1 1 32 32 ASN ND2 N 15 114.749 0.15 . 1 . . . . . . . . 6448 1 387 . 1 1 33 33 TYR H H 1 7.527 0.02 . 1 . . . . . . . . 6448 1 388 . 1 1 33 33 TYR HA H 1 4.921 0.02 . 1 . . . . . . . . 6448 1 389 . 1 1 33 33 TYR HB2 H 1 2.517 0.02 . 2 . . . . . . . . 6448 1 390 . 1 1 33 33 TYR HB3 H 1 2.226 0.02 . 2 . . . . . . . . 6448 1 391 . 1 1 33 33 TYR HD1 H 1 6.744 0.02 . 1 . . . . . . . . 6448 1 392 . 1 1 33 33 TYR HD2 H 1 6.744 0.02 . 1 . . . . . . . . 6448 1 393 . 1 1 33 33 TYR HE1 H 1 6.634 0.02 . 1 . . . . . . . . 6448 1 394 . 1 1 33 33 TYR HE2 H 1 6.634 0.02 . 1 . . . . . . . . 6448 1 395 . 1 1 33 33 TYR C C 13 172.881 0.15 . 1 . . . . . . . . 6448 1 396 . 1 1 33 33 TYR CA C 13 58.199 0.15 . 1 . . . . . . . . 6448 1 397 . 1 1 33 33 TYR CB C 13 43.962 0.15 . 1 . . . . . . . . 6448 1 398 . 1 1 33 33 TYR CD1 C 13 131.393 0.15 . 1 . . . . . . . . 6448 1 399 . 1 1 33 33 TYR CD2 C 13 131.393 0.15 . 1 . . . . . . . . 6448 1 400 . 1 1 33 33 TYR CE1 C 13 116.132 0.15 . 1 . . . . . . . . 6448 1 401 . 1 1 33 33 TYR CE2 C 13 116.132 0.15 . 1 . . . . . . . . 6448 1 402 . 1 1 33 33 TYR N N 15 116.172 0.15 . 1 . . . . . . . . 6448 1 403 . 1 1 34 34 GLN H H 1 9.141 0.02 . 1 . . . . . . . . 6448 1 404 . 1 1 34 34 GLN HA H 1 4.278 0.02 . 1 . . . . . . . . 6448 1 405 . 1 1 34 34 GLN HB2 H 1 1.766 0.02 . 2 . . . . . . . . 6448 1 406 . 1 1 34 34 GLN HB3 H 1 1.602 0.02 . 2 . . . . . . . . 6448 1 407 . 1 1 34 34 GLN HG2 H 1 2.086 0.02 . 2 . . . . . . . . 6448 1 408 . 1 1 34 34 GLN HG3 H 1 1.700 0.02 . 2 . . . . . . . . 6448 1 409 . 1 1 34 34 GLN HE21 H 1 7.552 0.02 . 2 . . . . . . . . 6448 1 410 . 1 1 34 34 GLN HE22 H 1 7.081 0.02 . 2 . . . . . . . . 6448 1 411 . 1 1 34 34 GLN C C 13 174.152 0.15 . 1 . . . . . . . . 6448 1 412 . 1 1 34 34 GLN CA C 13 53.540 0.15 . 1 . . . . . . . . 6448 1 413 . 1 1 34 34 GLN CB C 13 34.123 0.15 . 1 . . . . . . . . 6448 1 414 . 1 1 34 34 GLN CG C 13 34.928 0.15 . 1 . . . . . . . . 6448 1 415 . 1 1 34 34 GLN N N 15 114.103 0.15 . 1 . . . . . . . . 6448 1 416 . 1 1 34 34 GLN NE2 N 15 113.990 0.15 . 1 . . . . . . . . 6448 1 417 . 1 1 35 35 LEU H H 1 8.995 0.02 . 1 . . . . . . . . 6448 1 418 . 1 1 35 35 LEU HA H 1 4.736 0.02 . 1 . . . . . . . . 6448 1 419 . 1 1 35 35 LEU HB2 H 1 2.124 0.02 . 2 . . . . . . . . 6448 1 420 . 1 1 35 35 LEU HB3 H 1 1.261 0.02 . 2 . . . . . . . . 6448 1 421 . 1 1 35 35 LEU HG H 1 1.445 0.02 . 1 . . . . . . . . 6448 1 422 . 1 1 35 35 LEU HD11 H 1 0.819 0.02 . 1 . . . . . . . . 6448 1 423 . 1 1 35 35 LEU HD12 H 1 0.819 0.02 . 1 . . . . . . . . 6448 1 424 . 1 1 35 35 LEU HD13 H 1 0.819 0.02 . 1 . . . . . . . . 6448 1 425 . 1 1 35 35 LEU HD21 H 1 0.965 0.02 . 1 . . . . . . . . 6448 1 426 . 1 1 35 35 LEU HD22 H 1 0.965 0.02 . 1 . . . . . . . . 6448 1 427 . 1 1 35 35 LEU HD23 H 1 0.965 0.02 . 1 . . . . . . . . 6448 1 428 . 1 1 35 35 LEU C C 13 173.398 0.15 . 1 . . . . . . . . 6448 1 429 . 1 1 35 35 LEU CA C 13 53.343 0.15 . 1 . . . . . . . . 6448 1 430 . 1 1 35 35 LEU CB C 13 46.038 0.15 . 1 . . . . . . . . 6448 1 431 . 1 1 35 35 LEU CG C 13 26.281 0.15 . 1 . . . . . . . . 6448 1 432 . 1 1 35 35 LEU CD1 C 13 26.313 0.15 . 1 . . . . . . . . 6448 1 433 . 1 1 35 35 LEU CD2 C 13 26.273 0.15 . 1 . . . . . . . . 6448 1 434 . 1 1 35 35 LEU N N 15 122.245 0.15 . 1 . . . . . . . . 6448 1 435 . 1 1 36 36 TYR H H 1 8.770 0.02 . 1 . . . . . . . . 6448 1 436 . 1 1 36 36 TYR HA H 1 5.050 0.02 . 1 . . . . . . . . 6448 1 437 . 1 1 36 36 TYR HB2 H 1 2.608 0.02 . 2 . . . . . . . . 6448 1 438 . 1 1 36 36 TYR HB3 H 1 2.456 0.02 . 2 . . . . . . . . 6448 1 439 . 1 1 36 36 TYR HD1 H 1 6.765 0.02 . 1 . . . . . . . . 6448 1 440 . 1 1 36 36 TYR HD2 H 1 6.765 0.02 . 1 . . . . . . . . 6448 1 441 . 1 1 36 36 TYR HE1 H 1 6.665 0.02 . 1 . . . . . . . . 6448 1 442 . 1 1 36 36 TYR HE2 H 1 6.665 0.02 . 1 . . . . . . . . 6448 1 443 . 1 1 36 36 TYR C C 13 176.240 0.15 . 1 . . . . . . . . 6448 1 444 . 1 1 36 36 TYR CA C 13 56.986 0.15 . 1 . . . . . . . . 6448 1 445 . 1 1 36 36 TYR CB C 13 41.855 0.15 . 1 . . . . . . . . 6448 1 446 . 1 1 36 36 TYR CD1 C 13 131.243 0.15 . 1 . . . . . . . . 6448 1 447 . 1 1 36 36 TYR CD2 C 13 131.243 0.15 . 1 . . . . . . . . 6448 1 448 . 1 1 36 36 TYR CE1 C 13 117.187 0.15 . 1 . . . . . . . . 6448 1 449 . 1 1 36 36 TYR CE2 C 13 117.187 0.15 . 1 . . . . . . . . 6448 1 450 . 1 1 36 36 TYR N N 15 122.858 0.15 . 1 . . . . . . . . 6448 1 451 . 1 1 37 37 SER H H 1 9.142 0.02 . 1 . . . . . . . . 6448 1 452 . 1 1 37 37 SER HA H 1 4.462 0.02 . 1 . . . . . . . . 6448 1 453 . 1 1 37 37 SER HB2 H 1 4.122 0.02 . 2 . . . . . . . . 6448 1 454 . 1 1 37 37 SER HB3 H 1 3.959 0.02 . 2 . . . . . . . . 6448 1 455 . 1 1 37 37 SER C C 13 175.060 0.15 . 1 . . . . . . . . 6448 1 456 . 1 1 37 37 SER CA C 13 57.775 0.15 . 1 . . . . . . . . 6448 1 457 . 1 1 37 37 SER CB C 13 64.584 0.15 . 1 . . . . . . . . 6448 1 458 . 1 1 37 37 SER N N 15 113.113 0.15 . 1 . . . . . . . . 6448 1 459 . 1 1 38 38 LEU H H 1 8.400 0.02 . 1 . . . . . . . . 6448 1 460 . 1 1 38 38 LEU HA H 1 4.571 0.02 . 1 . . . . . . . . 6448 1 461 . 1 1 38 38 LEU HB2 H 1 1.430 0.02 . 2 . . . . . . . . 6448 1 462 . 1 1 38 38 LEU HB3 H 1 0.857 0.02 . 2 . . . . . . . . 6448 1 463 . 1 1 38 38 LEU HG H 1 1.361 0.02 . 1 . . . . . . . . 6448 1 464 . 1 1 38 38 LEU HD11 H 1 0.386 0.02 . 1 . . . . . . . . 6448 1 465 . 1 1 38 38 LEU HD12 H 1 0.386 0.02 . 1 . . . . . . . . 6448 1 466 . 1 1 38 38 LEU HD13 H 1 0.386 0.02 . 1 . . . . . . . . 6448 1 467 . 1 1 38 38 LEU HD21 H 1 0.423 0.02 . 1 . . . . . . . . 6448 1 468 . 1 1 38 38 LEU HD22 H 1 0.423 0.02 . 1 . . . . . . . . 6448 1 469 . 1 1 38 38 LEU HD23 H 1 0.423 0.02 . 1 . . . . . . . . 6448 1 470 . 1 1 38 38 LEU C C 13 176.728 0.15 . 1 . . . . . . . . 6448 1 471 . 1 1 38 38 LEU CA C 13 54.751 0.15 . 1 . . . . . . . . 6448 1 472 . 1 1 38 38 LEU CB C 13 39.003 0.15 . 1 . . . . . . . . 6448 1 473 . 1 1 38 38 LEU CG C 13 28.356 0.15 . 1 . . . . . . . . 6448 1 474 . 1 1 38 38 LEU CD1 C 13 24.374 0.15 . 1 . . . . . . . . 6448 1 475 . 1 1 38 38 LEU CD2 C 13 24.411 0.15 . 1 . . . . . . . . 6448 1 476 . 1 1 38 38 LEU N N 15 129.147 0.15 . 1 . . . . . . . . 6448 1 477 . 1 1 39 39 GLY H H 1 8.472 0.02 . 1 . . . . . . . . 6448 1 478 . 1 1 39 39 GLY HA2 H 1 4.492 0.02 . 2 . . . . . . . . 6448 1 479 . 1 1 39 39 GLY HA3 H 1 3.318 0.02 . 2 . . . . . . . . 6448 1 480 . 1 1 39 39 GLY C C 13 174.349 0.15 . 1 . . . . . . . . 6448 1 481 . 1 1 39 39 GLY CA C 13 46.397 0.15 . 1 . . . . . . . . 6448 1 482 . 1 1 39 39 GLY N N 15 110.601 0.15 . 1 . . . . . . . . 6448 1 483 . 1 1 40 40 HIS HA H 1 4.931 0.02 . 1 . . . . . . . . 6448 1 484 . 1 1 40 40 HIS HB2 H 1 3.516 0.02 . 2 . . . . . . . . 6448 1 485 . 1 1 40 40 HIS HB3 H 1 3.261 0.02 . 2 . . . . . . . . 6448 1 486 . 1 1 40 40 HIS HD2 H 1 7.328 0.02 . 1 . . . . . . . . 6448 1 487 . 1 1 40 40 HIS C C 13 173.153 0.15 . 1 . . . . . . . . 6448 1 488 . 1 1 40 40 HIS CA C 13 55.888 0.15 . 1 . . . . . . . . 6448 1 489 . 1 1 40 40 HIS CB C 13 29.707 0.15 . 1 . . . . . . . . 6448 1 490 . 1 1 40 40 HIS CD2 C 13 118.368 0.15 . 1 . . . . . . . . 6448 1 491 . 1 1 41 41 TYR H H 1 7.152 0.02 . 1 . . . . . . . . 6448 1 492 . 1 1 41 41 TYR HA H 1 4.382 0.02 . 1 . . . . . . . . 6448 1 493 . 1 1 41 41 TYR HB2 H 1 2.774 0.02 . 2 . . . . . . . . 6448 1 494 . 1 1 41 41 TYR HB3 H 1 3.050 0.02 . 2 . . . . . . . . 6448 1 495 . 1 1 41 41 TYR HD1 H 1 6.769 0.02 . 1 . . . . . . . . 6448 1 496 . 1 1 41 41 TYR HD2 H 1 6.769 0.02 . 1 . . . . . . . . 6448 1 497 . 1 1 41 41 TYR HE1 H 1 6.942 0.02 . 1 . . . . . . . . 6448 1 498 . 1 1 41 41 TYR HE2 H 1 6.942 0.02 . 1 . . . . . . . . 6448 1 499 . 1 1 41 41 TYR C C 13 172.493 0.15 . 1 . . . . . . . . 6448 1 500 . 1 1 41 41 TYR CA C 13 54.889 0.15 . 1 . . . . . . . . 6448 1 501 . 1 1 41 41 TYR CB C 13 37.587 0.15 . 1 . . . . . . . . 6448 1 502 . 1 1 41 41 TYR CD1 C 13 132.863 0.15 . 1 . . . . . . . . 6448 1 503 . 1 1 41 41 TYR CD2 C 13 132.863 0.15 . 1 . . . . . . . . 6448 1 504 . 1 1 41 41 TYR CE1 C 13 117.212 0.15 . 1 . . . . . . . . 6448 1 505 . 1 1 41 41 TYR CE2 C 13 117.212 0.15 . 1 . . . . . . . . 6448 1 506 . 1 1 41 41 TYR N N 15 114.738 0.15 . 1 . . . . . . . . 6448 1 507 . 1 1 42 42 PRO HA H 1 5.467 0.02 . 1 . . . . . . . . 6448 1 508 . 1 1 42 42 PRO HB2 H 1 1.816 0.02 . 2 . . . . . . . . 6448 1 509 . 1 1 42 42 PRO HB3 H 1 1.679 0.02 . 2 . . . . . . . . 6448 1 510 . 1 1 42 42 PRO HG2 H 1 1.674 0.02 . 2 . . . . . . . . 6448 1 511 . 1 1 42 42 PRO HG3 H 1 1.324 0.02 . 2 . . . . . . . . 6448 1 512 . 1 1 42 42 PRO HD2 H 1 3.373 0.02 . 2 . . . . . . . . 6448 1 513 . 1 1 42 42 PRO HD3 H 1 1.399 0.02 . 2 . . . . . . . . 6448 1 514 . 1 1 42 42 PRO C C 13 177.180 0.15 . 1 . . . . . . . . 6448 1 515 . 1 1 42 42 PRO CA C 13 61.452 0.15 . 1 . . . . . . . . 6448 1 516 . 1 1 42 42 PRO CB C 13 33.656 0.15 . 1 . . . . . . . . 6448 1 517 . 1 1 42 42 PRO CG C 13 26.095 0.15 . 1 . . . . . . . . 6448 1 518 . 1 1 42 42 PRO CD C 13 47.482 0.15 . 1 . . . . . . . . 6448 1 519 . 1 1 43 43 GLY H H 1 9.298 0.02 . 1 . . . . . . . . 6448 1 520 . 1 1 43 43 GLY HA2 H 1 4.911 0.02 . 2 . . . . . . . . 6448 1 521 . 1 1 43 43 GLY HA3 H 1 3.131 0.02 . 2 . . . . . . . . 6448 1 522 . 1 1 43 43 GLY C C 13 169.648 0.15 . 1 . . . . . . . . 6448 1 523 . 1 1 43 43 GLY CA C 13 46.039 0.15 . 1 . . . . . . . . 6448 1 524 . 1 1 43 43 GLY N N 15 107.127 0.15 . 1 . . . . . . . . 6448 1 525 . 1 1 44 44 ALA H H 1 8.000 0.02 . 1 . . . . . . . . 6448 1 526 . 1 1 44 44 ALA HA H 1 5.899 0.02 . 1 . . . . . . . . 6448 1 527 . 1 1 44 44 ALA HB1 H 1 0.795 0.02 . 1 . . . . . . . . 6448 1 528 . 1 1 44 44 ALA HB2 H 1 0.795 0.02 . 1 . . . . . . . . 6448 1 529 . 1 1 44 44 ALA HB3 H 1 0.795 0.02 . 1 . . . . . . . . 6448 1 530 . 1 1 44 44 ALA C C 13 176.210 0.15 . 1 . . . . . . . . 6448 1 531 . 1 1 44 44 ALA CA C 13 50.265 0.15 . 1 . . . . . . . . 6448 1 532 . 1 1 44 44 ALA CB C 13 20.365 0.15 . 1 . . . . . . . . 6448 1 533 . 1 1 44 44 ALA N N 15 125.588 0.15 . 1 . . . . . . . . 6448 1 534 . 1 1 45 45 VAL H H 1 9.025 0.02 . 1 . . . . . . . . 6448 1 535 . 1 1 45 45 VAL HA H 1 5.242 0.02 . 1 . . . . . . . . 6448 1 536 . 1 1 45 45 VAL HB H 1 2.361 0.02 . 1 . . . . . . . . 6448 1 537 . 1 1 45 45 VAL HG11 H 1 1.223 0.02 . 1 . . . . . . . . 6448 1 538 . 1 1 45 45 VAL HG12 H 1 1.223 0.02 . 1 . . . . . . . . 6448 1 539 . 1 1 45 45 VAL HG13 H 1 1.223 0.02 . 1 . . . . . . . . 6448 1 540 . 1 1 45 45 VAL HG21 H 1 1.013 0.02 . 1 . . . . . . . . 6448 1 541 . 1 1 45 45 VAL HG22 H 1 1.013 0.02 . 1 . . . . . . . . 6448 1 542 . 1 1 45 45 VAL HG23 H 1 1.013 0.02 . 1 . . . . . . . . 6448 1 543 . 1 1 45 45 VAL C C 13 172.392 0.15 . 1 . . . . . . . . 6448 1 544 . 1 1 45 45 VAL CA C 13 58.365 0.15 . 1 . . . . . . . . 6448 1 545 . 1 1 45 45 VAL CB C 13 34.163 0.15 . 1 . . . . . . . . 6448 1 546 . 1 1 45 45 VAL CG1 C 13 23.254 0.15 . 1 . . . . . . . . 6448 1 547 . 1 1 45 45 VAL CG2 C 13 19.682 0.15 . 1 . . . . . . . . 6448 1 548 . 1 1 45 45 VAL N N 15 114.402 0.15 . 1 . . . . . . . . 6448 1 549 . 1 1 46 46 PRO HA H 1 4.219 0.02 . 1 . . . . . . . . 6448 1 550 . 1 1 46 46 PRO HB2 H 1 2.131 0.02 . 2 . . . . . . . . 6448 1 551 . 1 1 46 46 PRO HB3 H 1 1.748 0.02 . 2 . . . . . . . . 6448 1 552 . 1 1 46 46 PRO HG2 H 1 2.172 0.02 . 2 . . . . . . . . 6448 1 553 . 1 1 46 46 PRO HG3 H 1 1.930 0.02 . 2 . . . . . . . . 6448 1 554 . 1 1 46 46 PRO HD2 H 1 3.811 0.02 . 1 . . . . . . . . 6448 1 555 . 1 1 46 46 PRO HD3 H 1 3.811 0.02 . 1 . . . . . . . . 6448 1 556 . 1 1 46 46 PRO C C 13 176.370 0.15 . 1 . . . . . . . . 6448 1 557 . 1 1 46 46 PRO CA C 13 63.063 0.15 . 1 . . . . . . . . 6448 1 558 . 1 1 46 46 PRO CB C 13 31.876 0.15 . 1 . . . . . . . . 6448 1 559 . 1 1 46 46 PRO CG C 13 28.196 0.15 . 1 . . . . . . . . 6448 1 560 . 1 1 46 46 PRO CD C 13 50.750 0.15 . 1 . . . . . . . . 6448 1 561 . 1 1 47 47 GLY H H 1 7.596 0.02 . 1 . . . . . . . . 6448 1 562 . 1 1 47 47 GLY HA2 H 1 3.962 0.02 . 2 . . . . . . . . 6448 1 563 . 1 1 47 47 GLY HA3 H 1 3.719 0.02 . 2 . . . . . . . . 6448 1 564 . 1 1 47 47 GLY C C 13 171.136 0.15 . 1 . . . . . . . . 6448 1 565 . 1 1 47 47 GLY CA C 13 45.473 0.15 . 1 . . . . . . . . 6448 1 566 . 1 1 47 47 GLY N N 15 110.320 0.15 . 1 . . . . . . . . 6448 1 567 . 1 1 48 48 ASN H H 1 8.170 0.02 . 1 . . . . . . . . 6448 1 568 . 1 1 48 48 ASN HA H 1 4.784 0.02 . 1 . . . . . . . . 6448 1 569 . 1 1 48 48 ASN HB2 H 1 2.759 0.02 . 2 . . . . . . . . 6448 1 570 . 1 1 48 48 ASN HB3 H 1 2.611 0.02 . 2 . . . . . . . . 6448 1 571 . 1 1 48 48 ASN HD21 H 1 7.597 0.02 . 1 . . . . . . . . 6448 1 572 . 1 1 48 48 ASN HD22 H 1 6.893 0.02 . 1 . . . . . . . . 6448 1 573 . 1 1 48 48 ASN C C 13 173.916 0.15 . 1 . . . . . . . . 6448 1 574 . 1 1 48 48 ASN CA C 13 53.136 0.15 . 1 . . . . . . . . 6448 1 575 . 1 1 48 48 ASN CB C 13 37.975 0.15 . 1 . . . . . . . . 6448 1 576 . 1 1 48 48 ASN N N 15 117.384 0.15 . 1 . . . . . . . . 6448 1 577 . 1 1 48 48 ASN ND2 N 15 112.620 0.15 . 1 . . . . . . . . 6448 1 578 . 1 1 49 49 GLY H H 1 8.003 0.02 . 1 . . . . . . . . 6448 1 579 . 1 1 49 49 GLY HA2 H 1 4.091 0.02 . 2 . . . . . . . . 6448 1 580 . 1 1 49 49 GLY HA3 H 1 4.075 0.02 . 2 . . . . . . . . 6448 1 581 . 1 1 49 49 GLY C C 13 171.958 0.15 . 1 . . . . . . . . 6448 1 582 . 1 1 49 49 GLY CA C 13 45.374 0.15 . 1 . . . . . . . . 6448 1 583 . 1 1 49 49 GLY N N 15 113.947 0.15 . 1 . . . . . . . . 6448 1 584 . 1 1 50 50 THR H H 1 7.763 0.02 . 1 . . . . . . . . 6448 1 585 . 1 1 50 50 THR HA H 1 5.351 0.02 . 1 . . . . . . . . 6448 1 586 . 1 1 50 50 THR HB H 1 3.723 0.02 . 1 . . . . . . . . 6448 1 587 . 1 1 50 50 THR HG21 H 1 0.881 0.02 . 1 . . . . . . . . 6448 1 588 . 1 1 50 50 THR HG22 H 1 0.881 0.02 . 1 . . . . . . . . 6448 1 589 . 1 1 50 50 THR HG23 H 1 0.881 0.02 . 1 . . . . . . . . 6448 1 590 . 1 1 50 50 THR C C 13 173.740 0.15 . 1 . . . . . . . . 6448 1 591 . 1 1 50 50 THR CA C 13 61.172 0.15 . 1 . . . . . . . . 6448 1 592 . 1 1 50 50 THR CB C 13 72.535 0.15 . 1 . . . . . . . . 6448 1 593 . 1 1 50 50 THR CG2 C 13 21.434 0.15 . 1 . . . . . . . . 6448 1 594 . 1 1 50 50 THR N N 15 113.596 0.15 . 1 . . . . . . . . 6448 1 595 . 1 1 51 51 VAL H H 1 8.545 0.02 . 1 . . . . . . . . 6448 1 596 . 1 1 51 51 VAL HA H 1 4.735 0.02 . 1 . . . . . . . . 6448 1 597 . 1 1 51 51 VAL HB H 1 1.683 0.02 . 1 . . . . . . . . 6448 1 598 . 1 1 51 51 VAL HG11 H 1 0.784 0.02 . 1 . . . . . . . . 6448 1 599 . 1 1 51 51 VAL HG12 H 1 0.784 0.02 . 1 . . . . . . . . 6448 1 600 . 1 1 51 51 VAL HG13 H 1 0.784 0.02 . 1 . . . . . . . . 6448 1 601 . 1 1 51 51 VAL HG21 H 1 0.683 0.02 . 1 . . . . . . . . 6448 1 602 . 1 1 51 51 VAL HG22 H 1 0.683 0.02 . 1 . . . . . . . . 6448 1 603 . 1 1 51 51 VAL HG23 H 1 0.683 0.02 . 1 . . . . . . . . 6448 1 604 . 1 1 51 51 VAL C C 13 174.795 0.15 . 1 . . . . . . . . 6448 1 605 . 1 1 51 51 VAL CA C 13 61.417 0.15 . 1 . . . . . . . . 6448 1 606 . 1 1 51 51 VAL CB C 13 34.836 0.15 . 1 . . . . . . . . 6448 1 607 . 1 1 51 51 VAL CG1 C 13 21.931 0.15 . 1 . . . . . . . . 6448 1 608 . 1 1 51 51 VAL CG2 C 13 23.166 0.15 . 1 . . . . . . . . 6448 1 609 . 1 1 51 51 VAL N N 15 123.574 0.15 . 1 . . . . . . . . 6448 1 610 . 1 1 52 52 HIS H H 1 9.135 0.02 . 1 . . . . . . . . 6448 1 611 . 1 1 52 52 HIS HA H 1 5.025 0.02 . 1 . . . . . . . . 6448 1 612 . 1 1 52 52 HIS HB2 H 1 3.316 0.02 . 2 . . . . . . . . 6448 1 613 . 1 1 52 52 HIS HB3 H 1 3.104 0.02 . 2 . . . . . . . . 6448 1 614 . 1 1 52 52 HIS HD2 H 1 7.292 0.02 . 1 . . . . . . . . 6448 1 615 . 1 1 52 52 HIS C C 13 174.067 0.15 . 1 . . . . . . . . 6448 1 616 . 1 1 52 52 HIS CA C 13 55.150 0.15 . 1 . . . . . . . . 6448 1 617 . 1 1 52 52 HIS CB C 13 30.345 0.15 . 1 . . . . . . . . 6448 1 618 . 1 1 52 52 HIS CD2 C 13 118.376 0.15 . 1 . . . . . . . . 6448 1 619 . 1 1 52 52 HIS N N 15 126.661 0.15 . 1 . . . . . . . . 6448 1 620 . 1 1 53 53 GLY H H 1 9.054 0.02 . 1 . . . . . . . . 6448 1 621 . 1 1 53 53 GLY HA2 H 1 4.148 0.02 . 2 . . . . . . . . 6448 1 622 . 1 1 53 53 GLY HA3 H 1 3.787 0.02 . 2 . . . . . . . . 6448 1 623 . 1 1 53 53 GLY C C 13 172.056 0.15 . 1 . . . . . . . . 6448 1 624 . 1 1 53 53 GLY CA C 13 46.348 0.15 . 1 . . . . . . . . 6448 1 625 . 1 1 53 53 GLY N N 15 110.902 0.15 . 1 . . . . . . . . 6448 1 626 . 1 1 54 54 GLU H H 1 8.520 0.02 . 1 . . . . . . . . 6448 1 627 . 1 1 54 54 GLU HA H 1 5.134 0.02 . 1 . . . . . . . . 6448 1 628 . 1 1 54 54 GLU HB2 H 1 1.928 0.02 . 2 . . . . . . . . 6448 1 629 . 1 1 54 54 GLU HB3 H 1 1.819 0.02 . 2 . . . . . . . . 6448 1 630 . 1 1 54 54 GLU HG2 H 1 2.516 0.02 . 1 . . . . . . . . 6448 1 631 . 1 1 54 54 GLU HG3 H 1 2.516 0.02 . 1 . . . . . . . . 6448 1 632 . 1 1 54 54 GLU C C 13 174.191 0.15 . 1 . . . . . . . . 6448 1 633 . 1 1 54 54 GLU CA C 13 55.017 0.15 . 1 . . . . . . . . 6448 1 634 . 1 1 54 54 GLU CB C 13 35.900 0.15 . 1 . . . . . . . . 6448 1 635 . 1 1 54 54 GLU CG C 13 36.926 0.15 . 1 . . . . . . . . 6448 1 636 . 1 1 54 54 GLU N N 15 120.150 0.15 . 1 . . . . . . . . 6448 1 637 . 1 1 55 55 VAL H H 1 9.035 0.02 . 1 . . . . . . . . 6448 1 638 . 1 1 55 55 VAL HA H 1 5.486 0.02 . 1 . . . . . . . . 6448 1 639 . 1 1 55 55 VAL HB H 1 1.694 0.02 . 1 . . . . . . . . 6448 1 640 . 1 1 55 55 VAL HG11 H 1 0.806 0.02 . 1 . . . . . . . . 6448 1 641 . 1 1 55 55 VAL HG12 H 1 0.806 0.02 . 1 . . . . . . . . 6448 1 642 . 1 1 55 55 VAL HG13 H 1 0.806 0.02 . 1 . . . . . . . . 6448 1 643 . 1 1 55 55 VAL HG21 H 1 1.183 0.02 . 1 . . . . . . . . 6448 1 644 . 1 1 55 55 VAL HG22 H 1 1.183 0.02 . 1 . . . . . . . . 6448 1 645 . 1 1 55 55 VAL HG23 H 1 1.183 0.02 . 1 . . . . . . . . 6448 1 646 . 1 1 55 55 VAL C C 13 174.558 0.15 . 1 . . . . . . . . 6448 1 647 . 1 1 55 55 VAL CA C 13 60.535 0.15 . 1 . . . . . . . . 6448 1 648 . 1 1 55 55 VAL CB C 13 32.480 0.15 . 1 . . . . . . . . 6448 1 649 . 1 1 55 55 VAL CG1 C 13 21.854 0.15 . 1 . . . . . . . . 6448 1 650 . 1 1 55 55 VAL CG2 C 13 23.245 0.15 . 1 . . . . . . . . 6448 1 651 . 1 1 55 55 VAL N N 15 120.701 0.15 . 1 . . . . . . . . 6448 1 652 . 1 1 56 56 TYR H H 1 9.411 0.02 . 1 . . . . . . . . 6448 1 653 . 1 1 56 56 TYR HA H 1 5.272 0.02 . 1 . . . . . . . . 6448 1 654 . 1 1 56 56 TYR HB2 H 1 2.636 0.02 . 1 . . . . . . . . 6448 1 655 . 1 1 56 56 TYR HB3 H 1 2.636 0.02 . 1 . . . . . . . . 6448 1 656 . 1 1 56 56 TYR HD1 H 1 6.740 0.02 . 1 . . . . . . . . 6448 1 657 . 1 1 56 56 TYR HD2 H 1 6.740 0.02 . 1 . . . . . . . . 6448 1 658 . 1 1 56 56 TYR HE2 H 1 6.733 0.02 . 1 . . . . . . . . 6448 1 659 . 1 1 56 56 TYR HE1 H 1 6.733 0.02 . 1 . . . . . . . . 6448 1 660 . 1 1 56 56 TYR C C 13 175.500 0.15 . 1 . . . . . . . . 6448 1 661 . 1 1 56 56 TYR CA C 13 56.496 0.15 . 1 . . . . . . . . 6448 1 662 . 1 1 56 56 TYR CB C 13 42.860 0.15 . 1 . . . . . . . . 6448 1 663 . 1 1 56 56 TYR CD1 C 13 131.176 0.15 . 1 . . . . . . . . 6448 1 664 . 1 1 56 56 TYR CD2 C 13 131.176 0.15 . 1 . . . . . . . . 6448 1 665 . 1 1 56 56 TYR CE1 C 13 117.776 0.15 . 1 . . . . . . . . 6448 1 666 . 1 1 56 56 TYR CE2 C 13 117.776 0.15 . 1 . . . . . . . . 6448 1 667 . 1 1 56 56 TYR N N 15 124.871 0.15 . 1 . . . . . . . . 6448 1 668 . 1 1 57 57 ARG H H 1 9.450 0.02 . 1 . . . . . . . . 6448 1 669 . 1 1 57 57 ARG HA H 1 5.137 0.02 . 1 . . . . . . . . 6448 1 670 . 1 1 57 57 ARG HB2 H 1 1.920 0.02 . 2 . . . . . . . . 6448 1 671 . 1 1 57 57 ARG HB3 H 1 1.747 0.02 . 2 . . . . . . . . 6448 1 672 . 1 1 57 57 ARG HG2 H 1 1.640 0.02 . 2 . . . . . . . . 6448 1 673 . 1 1 57 57 ARG HG3 H 1 1.832 0.02 . 2 . . . . . . . . 6448 1 674 . 1 1 57 57 ARG HD2 H 1 3.278 0.02 . 1 . . . . . . . . 6448 1 675 . 1 1 57 57 ARG HD3 H 1 3.278 0.02 . 1 . . . . . . . . 6448 1 676 . 1 1 57 57 ARG HE H 1 7.239 0.02 . 1 . . . . . . . . 6448 1 677 . 1 1 57 57 ARG C C 13 175.630 0.15 . 1 . . . . . . . . 6448 1 678 . 1 1 57 57 ARG CA C 13 55.750 0.15 . 1 . . . . . . . . 6448 1 679 . 1 1 57 57 ARG CB C 13 32.000 0.15 . 1 . . . . . . . . 6448 1 680 . 1 1 57 57 ARG CG C 13 27.532 0.15 . 1 . . . . . . . . 6448 1 681 . 1 1 57 57 ARG CD C 13 43.596 0.15 . 1 . . . . . . . . 6448 1 682 . 1 1 57 57 ARG N N 15 122.545 0.15 . 1 . . . . . . . . 6448 1 683 . 1 1 57 57 ARG NE N 15 84.472 0.15 . 1 . . . . . . . . 6448 1 684 . 1 1 58 58 ILE H H 1 8.728 0.02 . 1 . . . . . . . . 6448 1 685 . 1 1 58 58 ILE HA H 1 4.976 0.02 . 1 . . . . . . . . 6448 1 686 . 1 1 58 58 ILE HB H 1 1.871 0.02 . 1 . . . . . . . . 6448 1 687 . 1 1 58 58 ILE HG12 H 1 1.419 0.02 . 2 . . . . . . . . 6448 1 688 . 1 1 58 58 ILE HG13 H 1 0.951 0.02 . 2 . . . . . . . . 6448 1 689 . 1 1 58 58 ILE HG21 H 1 0.851 0.02 . 1 . . . . . . . . 6448 1 690 . 1 1 58 58 ILE HG22 H 1 0.851 0.02 . 1 . . . . . . . . 6448 1 691 . 1 1 58 58 ILE HG23 H 1 0.851 0.02 . 1 . . . . . . . . 6448 1 692 . 1 1 58 58 ILE HD11 H 1 0.791 0.02 . 1 . . . . . . . . 6448 1 693 . 1 1 58 58 ILE HD12 H 1 0.791 0.02 . 1 . . . . . . . . 6448 1 694 . 1 1 58 58 ILE HD13 H 1 0.791 0.02 . 1 . . . . . . . . 6448 1 695 . 1 1 58 58 ILE C C 13 173.651 0.15 . 1 . . . . . . . . 6448 1 696 . 1 1 58 58 ILE CA C 13 59.259 0.15 . 1 . . . . . . . . 6448 1 697 . 1 1 58 58 ILE CB C 13 43.513 0.15 . 1 . . . . . . . . 6448 1 698 . 1 1 58 58 ILE CG1 C 13 26.076 0.15 . 1 . . . . . . . . 6448 1 699 . 1 1 58 58 ILE CG2 C 13 19.122 0.15 . 1 . . . . . . . . 6448 1 700 . 1 1 58 58 ILE CD1 C 13 14.963 0.15 . 1 . . . . . . . . 6448 1 701 . 1 1 58 58 ILE N N 15 120.405 0.15 . 1 . . . . . . . . 6448 1 702 . 1 1 59 59 ASP H H 1 8.183 0.02 . 1 . . . . . . . . 6448 1 703 . 1 1 59 59 ASP HA H 1 4.890 0.02 . 1 . . . . . . . . 6448 1 704 . 1 1 59 59 ASP HB2 H 1 3.096 0.02 . 2 . . . . . . . . 6448 1 705 . 1 1 59 59 ASP HB3 H 1 2.770 0.02 . 2 . . . . . . . . 6448 1 706 . 1 1 59 59 ASP C C 13 176.286 0.15 . 1 . . . . . . . . 6448 1 707 . 1 1 59 59 ASP CA C 13 52.307 0.15 . 1 . . . . . . . . 6448 1 708 . 1 1 59 59 ASP CB C 13 42.350 0.15 . 1 . . . . . . . . 6448 1 709 . 1 1 59 59 ASP N N 15 120.186 0.15 . 1 . . . . . . . . 6448 1 710 . 1 1 60 60 ASN H H 1 8.602 0.02 . 1 . . . . . . . . 6448 1 711 . 1 1 60 60 ASN HA H 1 4.274 0.02 . 1 . . . . . . . . 6448 1 712 . 1 1 60 60 ASN HB2 H 1 2.779 0.02 . 1 . . . . . . . . 6448 1 713 . 1 1 60 60 ASN HB3 H 1 2.779 0.02 . 1 . . . . . . . . 6448 1 714 . 1 1 60 60 ASN HD21 H 1 7.706 0.02 . 1 . . . . . . . . 6448 1 715 . 1 1 60 60 ASN HD22 H 1 6.970 0.02 . 1 . . . . . . . . 6448 1 716 . 1 1 60 60 ASN C C 13 177.974 0.15 . 1 . . . . . . . . 6448 1 717 . 1 1 60 60 ASN CA C 13 56.606 0.15 . 1 . . . . . . . . 6448 1 718 . 1 1 60 60 ASN CB C 13 38.108 0.15 . 1 . . . . . . . . 6448 1 719 . 1 1 60 60 ASN N N 15 117.644 0.15 . 1 . . . . . . . . 6448 1 720 . 1 1 60 60 ASN ND2 N 15 112.817 0.15 . 1 . . . . . . . . 6448 1 721 . 1 1 61 61 ALA H H 1 8.456 0.02 . 1 . . . . . . . . 6448 1 722 . 1 1 61 61 ALA HA H 1 4.141 0.02 . 1 . . . . . . . . 6448 1 723 . 1 1 61 61 ALA HB1 H 1 1.431 0.02 . 1 . . . . . . . . 6448 1 724 . 1 1 61 61 ALA HB2 H 1 1.431 0.02 . 1 . . . . . . . . 6448 1 725 . 1 1 61 61 ALA HB3 H 1 1.431 0.02 . 1 . . . . . . . . 6448 1 726 . 1 1 61 61 ALA C C 13 180.567 0.15 . 1 . . . . . . . . 6448 1 727 . 1 1 61 61 ALA CA C 13 55.234 0.15 . 1 . . . . . . . . 6448 1 728 . 1 1 61 61 ALA CB C 13 17.872 0.15 . 1 . . . . . . . . 6448 1 729 . 1 1 61 61 ALA N N 15 123.521 0.15 . 1 . . . . . . . . 6448 1 730 . 1 1 62 62 THR H H 1 8.183 0.02 . 1 . . . . . . . . 6448 1 731 . 1 1 62 62 THR HA H 1 3.942 0.02 . 1 . . . . . . . . 6448 1 732 . 1 1 62 62 THR HB H 1 4.227 0.02 . 1 . . . . . . . . 6448 1 733 . 1 1 62 62 THR HG21 H 1 1.239 0.02 . 1 . . . . . . . . 6448 1 734 . 1 1 62 62 THR HG22 H 1 1.239 0.02 . 1 . . . . . . . . 6448 1 735 . 1 1 62 62 THR HG23 H 1 1.239 0.02 . 1 . . . . . . . . 6448 1 736 . 1 1 62 62 THR C C 13 176.085 0.15 . 1 . . . . . . . . 6448 1 737 . 1 1 62 62 THR CA C 13 66.667 0.15 . 1 . . . . . . . . 6448 1 738 . 1 1 62 62 THR CB C 13 67.889 0.15 . 1 . . . . . . . . 6448 1 739 . 1 1 62 62 THR CG2 C 13 21.887 0.15 . 1 . . . . . . . . 6448 1 740 . 1 1 62 62 THR N N 15 117.585 0.15 . 1 . . . . . . . . 6448 1 741 . 1 1 63 63 LEU H H 1 7.679 0.02 . 1 . . . . . . . . 6448 1 742 . 1 1 63 63 LEU HA H 1 3.858 0.02 . 1 . . . . . . . . 6448 1 743 . 1 1 63 63 LEU HB2 H 1 1.854 0.02 . 2 . . . . . . . . 6448 1 744 . 1 1 63 63 LEU HB3 H 1 1.335 0.02 . 2 . . . . . . . . 6448 1 745 . 1 1 63 63 LEU HG H 1 1.394 0.02 . 1 . . . . . . . . 6448 1 746 . 1 1 63 63 LEU HD11 H 1 0.619 0.02 . 1 . . . . . . . . 6448 1 747 . 1 1 63 63 LEU HD12 H 1 0.619 0.02 . 1 . . . . . . . . 6448 1 748 . 1 1 63 63 LEU HD13 H 1 0.619 0.02 . 1 . . . . . . . . 6448 1 749 . 1 1 63 63 LEU HD21 H 1 0.467 0.02 . 1 . . . . . . . . 6448 1 750 . 1 1 63 63 LEU HD22 H 1 0.467 0.02 . 1 . . . . . . . . 6448 1 751 . 1 1 63 63 LEU HD23 H 1 0.467 0.02 . 1 . . . . . . . . 6448 1 752 . 1 1 63 63 LEU C C 13 177.479 0.15 . 1 . . . . . . . . 6448 1 753 . 1 1 63 63 LEU CA C 13 58.012 0.15 . 1 . . . . . . . . 6448 1 754 . 1 1 63 63 LEU CB C 13 41.501 0.15 . 1 . . . . . . . . 6448 1 755 . 1 1 63 63 LEU CG C 13 26.466 0.15 . 1 . . . . . . . . 6448 1 756 . 1 1 63 63 LEU CD1 C 13 23.523 0.15 . 1 . . . . . . . . 6448 1 757 . 1 1 63 63 LEU CD2 C 13 25.587 0.15 . 1 . . . . . . . . 6448 1 758 . 1 1 63 63 LEU N N 15 122.585 0.15 . 1 . . . . . . . . 6448 1 759 . 1 1 64 64 ALA H H 1 7.878 0.02 . 1 . . . . . . . . 6448 1 760 . 1 1 64 64 ALA HA H 1 4.048 0.02 . 1 . . . . . . . . 6448 1 761 . 1 1 64 64 ALA HB1 H 1 1.455 0.02 . 1 . . . . . . . . 6448 1 762 . 1 1 64 64 ALA HB2 H 1 1.455 0.02 . 1 . . . . . . . . 6448 1 763 . 1 1 64 64 ALA HB3 H 1 1.455 0.02 . 1 . . . . . . . . 6448 1 764 . 1 1 64 64 ALA C C 13 181.190 0.15 . 1 . . . . . . . . 6448 1 765 . 1 1 64 64 ALA CA C 13 55.246 0.15 . 1 . . . . . . . . 6448 1 766 . 1 1 64 64 ALA CB C 13 17.647 0.15 . 1 . . . . . . . . 6448 1 767 . 1 1 64 64 ALA N N 15 119.229 0.15 . 1 . . . . . . . . 6448 1 768 . 1 1 65 65 GLU H H 1 7.663 0.02 . 1 . . . . . . . . 6448 1 769 . 1 1 65 65 GLU HA H 1 4.035 0.02 . 1 . . . . . . . . 6448 1 770 . 1 1 65 65 GLU HB2 H 1 2.127 0.02 . 2 . . . . . . . . 6448 1 771 . 1 1 65 65 GLU HB3 H 1 2.205 0.02 . 2 . . . . . . . . 6448 1 772 . 1 1 65 65 GLU HG2 H 1 2.199 0.02 . 2 . . . . . . . . 6448 1 773 . 1 1 65 65 GLU HG3 H 1 2.407 0.02 . 2 . . . . . . . . 6448 1 774 . 1 1 65 65 GLU C C 13 179.254 0.15 . 1 . . . . . . . . 6448 1 775 . 1 1 65 65 GLU CA C 13 59.212 0.15 . 1 . . . . . . . . 6448 1 776 . 1 1 65 65 GLU CB C 13 29.439 0.15 . 1 . . . . . . . . 6448 1 777 . 1 1 65 65 GLU CG C 13 35.887 0.15 . 1 . . . . . . . . 6448 1 778 . 1 1 65 65 GLU N N 15 120.221 0.15 . 1 . . . . . . . . 6448 1 779 . 1 1 66 66 LEU H H 1 8.100 0.02 . 1 . . . . . . . . 6448 1 780 . 1 1 66 66 LEU HA H 1 3.789 0.02 . 1 . . . . . . . . 6448 1 781 . 1 1 66 66 LEU HB2 H 1 1.963 0.02 . 2 . . . . . . . . 6448 1 782 . 1 1 66 66 LEU HB3 H 1 1.078 0.02 . 2 . . . . . . . . 6448 1 783 . 1 1 66 66 LEU HG H 1 1.579 0.02 . 1 . . . . . . . . 6448 1 784 . 1 1 66 66 LEU HD11 H 1 0.522 0.02 . 1 . . . . . . . . 6448 1 785 . 1 1 66 66 LEU HD12 H 1 0.522 0.02 . 1 . . . . . . . . 6448 1 786 . 1 1 66 66 LEU HD13 H 1 0.522 0.02 . 1 . . . . . . . . 6448 1 787 . 1 1 66 66 LEU HD21 H 1 0.363 0.02 . 1 . . . . . . . . 6448 1 788 . 1 1 66 66 LEU HD22 H 1 0.363 0.02 . 1 . . . . . . . . 6448 1 789 . 1 1 66 66 LEU HD23 H 1 0.363 0.02 . 1 . . . . . . . . 6448 1 790 . 1 1 66 66 LEU C C 13 179.487 0.15 . 1 . . . . . . . . 6448 1 791 . 1 1 66 66 LEU CA C 13 57.807 0.15 . 1 . . . . . . . . 6448 1 792 . 1 1 66 66 LEU CB C 13 41.286 0.15 . 1 . . . . . . . . 6448 1 793 . 1 1 66 66 LEU CG C 13 26.577 0.15 . 1 . . . . . . . . 6448 1 794 . 1 1 66 66 LEU CD1 C 13 25.535 0.15 . 1 . . . . . . . . 6448 1 795 . 1 1 66 66 LEU CD2 C 13 22.899 0.15 . 1 . . . . . . . . 6448 1 796 . 1 1 66 66 LEU N N 15 120.990 0.15 . 1 . . . . . . . . 6448 1 797 . 1 1 67 67 ASP H H 1 9.027 0.02 . 1 . . . . . . . . 6448 1 798 . 1 1 67 67 ASP HA H 1 4.278 0.02 . 1 . . . . . . . . 6448 1 799 . 1 1 67 67 ASP HB2 H 1 2.566 0.02 . 2 . . . . . . . . 6448 1 800 . 1 1 67 67 ASP HB3 H 1 2.826 0.02 . 2 . . . . . . . . 6448 1 801 . 1 1 67 67 ASP C C 13 179.959 0.15 . 1 . . . . . . . . 6448 1 802 . 1 1 67 67 ASP CA C 13 57.466 0.15 . 1 . . . . . . . . 6448 1 803 . 1 1 67 67 ASP CB C 13 40.073 0.15 . 1 . . . . . . . . 6448 1 804 . 1 1 67 67 ASP N N 15 120.397 0.15 . 1 . . . . . . . . 6448 1 805 . 1 1 68 68 ALA H H 1 7.783 0.02 . 1 . . . . . . . . 6448 1 806 . 1 1 68 68 ALA HA H 1 4.049 0.02 . 1 . . . . . . . . 6448 1 807 . 1 1 68 68 ALA HB1 H 1 1.463 0.02 . 1 . . . . . . . . 6448 1 808 . 1 1 68 68 ALA HB2 H 1 1.463 0.02 . 1 . . . . . . . . 6448 1 809 . 1 1 68 68 ALA HB3 H 1 1.463 0.02 . 1 . . . . . . . . 6448 1 810 . 1 1 68 68 ALA C C 13 179.141 0.15 . 1 . . . . . . . . 6448 1 811 . 1 1 68 68 ALA CA C 13 55.066 0.15 . 1 . . . . . . . . 6448 1 812 . 1 1 68 68 ALA CB C 13 17.637 0.15 . 1 . . . . . . . . 6448 1 813 . 1 1 68 68 ALA N N 15 123.696 0.15 . 1 . . . . . . . . 6448 1 814 . 1 1 69 69 LEU H H 1 7.259 0.02 . 1 . . . . . . . . 6448 1 815 . 1 1 69 69 LEU HA H 1 4.178 0.02 . 1 . . . . . . . . 6448 1 816 . 1 1 69 69 LEU HB2 H 1 1.641 0.02 . 2 . . . . . . . . 6448 1 817 . 1 1 69 69 LEU HB3 H 1 1.480 0.02 . 2 . . . . . . . . 6448 1 818 . 1 1 69 69 LEU HG H 1 1.564 0.02 . 1 . . . . . . . . 6448 1 819 . 1 1 69 69 LEU HD11 H 1 0.752 0.02 . 1 . . . . . . . . 6448 1 820 . 1 1 69 69 LEU HD12 H 1 0.752 0.02 . 1 . . . . . . . . 6448 1 821 . 1 1 69 69 LEU HD13 H 1 0.752 0.02 . 1 . . . . . . . . 6448 1 822 . 1 1 69 69 LEU HD21 H 1 0.749 0.02 . 1 . . . . . . . . 6448 1 823 . 1 1 69 69 LEU HD22 H 1 0.749 0.02 . 1 . . . . . . . . 6448 1 824 . 1 1 69 69 LEU HD23 H 1 0.749 0.02 . 1 . . . . . . . . 6448 1 825 . 1 1 69 69 LEU C C 13 179.355 0.15 . 1 . . . . . . . . 6448 1 826 . 1 1 69 69 LEU CA C 13 56.893 0.15 . 1 . . . . . . . . 6448 1 827 . 1 1 69 69 LEU CB C 13 43.354 0.15 . 1 . . . . . . . . 6448 1 828 . 1 1 69 69 LEU CG C 13 26.645 0.15 . 1 . . . . . . . . 6448 1 829 . 1 1 69 69 LEU CD1 C 13 24.482 0.15 . 1 . . . . . . . . 6448 1 830 . 1 1 69 69 LEU CD2 C 13 23.413 0.15 . 1 . . . . . . . . 6448 1 831 . 1 1 69 69 LEU N N 15 116.063 0.15 . 1 . . . . . . . . 6448 1 832 . 1 1 70 70 ARG H H 1 8.331 0.02 . 1 . . . . . . . . 6448 1 833 . 1 1 70 70 ARG HA H 1 4.279 0.02 . 1 . . . . . . . . 6448 1 834 . 1 1 70 70 ARG HB2 H 1 1.192 0.02 . 2 . . . . . . . . 6448 1 835 . 1 1 70 70 ARG HB3 H 1 0.932 0.02 . 2 . . . . . . . . 6448 1 836 . 1 1 70 70 ARG HG2 H 1 0.516 0.02 . 2 . . . . . . . . 6448 1 837 . 1 1 70 70 ARG HG3 H 1 0.909 0.02 . 2 . . . . . . . . 6448 1 838 . 1 1 70 70 ARG HD2 H 1 1.495 0.02 . 2 . . . . . . . . 6448 1 839 . 1 1 70 70 ARG HD3 H 1 1.918 0.02 . 2 . . . . . . . . 6448 1 840 . 1 1 70 70 ARG HE H 1 6.571 0.02 . 1 . . . . . . . . 6448 1 841 . 1 1 70 70 ARG C C 13 177.203 0.15 . 1 . . . . . . . . 6448 1 842 . 1 1 70 70 ARG CA C 13 57.275 0.15 . 1 . . . . . . . . 6448 1 843 . 1 1 70 70 ARG CB C 13 31.955 0.15 . 1 . . . . . . . . 6448 1 844 . 1 1 70 70 ARG CG C 13 26.556 0.15 . 1 . . . . . . . . 6448 1 845 . 1 1 70 70 ARG CD C 13 41.928 0.15 . 1 . . . . . . . . 6448 1 846 . 1 1 70 70 ARG N N 15 115.019 0.15 . 1 . . . . . . . . 6448 1 847 . 1 1 70 70 ARG NE N 15 85.331 0.15 . 1 . . . . . . . . 6448 1 848 . 1 1 71 71 THR H H 1 8.350 0.02 . 1 . . . . . . . . 6448 1 849 . 1 1 71 71 THR HA H 1 4.962 0.02 . 1 . . . . . . . . 6448 1 850 . 1 1 71 71 THR HB H 1 4.623 0.02 . 1 . . . . . . . . 6448 1 851 . 1 1 71 71 THR HG21 H 1 1.368 0.02 . 1 . . . . . . . . 6448 1 852 . 1 1 71 71 THR HG22 H 1 1.368 0.02 . 1 . . . . . . . . 6448 1 853 . 1 1 71 71 THR HG23 H 1 1.368 0.02 . 1 . . . . . . . . 6448 1 854 . 1 1 71 71 THR C C 13 176.591 0.15 . 1 . . . . . . . . 6448 1 855 . 1 1 71 71 THR CA C 13 62.040 0.15 . 1 . . . . . . . . 6448 1 856 . 1 1 71 71 THR CB C 13 70.140 0.15 . 1 . . . . . . . . 6448 1 857 . 1 1 71 71 THR CG2 C 13 21.224 0.15 . 1 . . . . . . . . 6448 1 858 . 1 1 71 71 THR N N 15 105.827 0.15 . 1 . . . . . . . . 6448 1 859 . 1 1 72 72 ARG H H 1 7.213 0.02 . 1 . . . . . . . . 6448 1 860 . 1 1 72 72 ARG HA H 1 4.162 0.02 . 1 . . . . . . . . 6448 1 861 . 1 1 72 72 ARG HB2 H 1 1.890 0.02 . 2 . . . . . . . . 6448 1 862 . 1 1 72 72 ARG HB3 H 1 2.000 0.02 . 2 . . . . . . . . 6448 1 863 . 1 1 72 72 ARG HG2 H 1 1.787 0.02 . 2 . . . . . . . . 6448 1 864 . 1 1 72 72 ARG HG3 H 1 1.637 0.02 . 2 . . . . . . . . 6448 1 865 . 1 1 72 72 ARG HD2 H 1 3.269 0.02 . 1 . . . . . . . . 6448 1 866 . 1 1 72 72 ARG HD3 H 1 3.269 0.02 . 1 . . . . . . . . 6448 1 867 . 1 1 72 72 ARG HE H 1 7.272 0.02 . 1 . . . . . . . . 6448 1 868 . 1 1 72 72 ARG C C 13 178.455 0.15 . 1 . . . . . . . . 6448 1 869 . 1 1 72 72 ARG CA C 13 58.315 0.15 . 1 . . . . . . . . 6448 1 870 . 1 1 72 72 ARG CB C 13 29.727 0.15 . 1 . . . . . . . . 6448 1 871 . 1 1 72 72 ARG CG C 13 26.961 0.15 . 1 . . . . . . . . 6448 1 872 . 1 1 72 72 ARG CD C 13 43.578 0.15 . 1 . . . . . . . . 6448 1 873 . 1 1 72 72 ARG N N 15 124.768 0.15 . 1 . . . . . . . . 6448 1 874 . 1 1 72 72 ARG NE N 15 84.626 0.15 . 1 . . . . . . . . 6448 1 875 . 1 1 73 73 GLY H H 1 9.162 0.02 . 1 . . . . . . . . 6448 1 876 . 1 1 73 73 GLY HA2 H 1 4.035 0.02 . 2 . . . . . . . . 6448 1 877 . 1 1 73 73 GLY HA3 H 1 3.893 0.02 . 2 . . . . . . . . 6448 1 878 . 1 1 73 73 GLY C C 13 175.230 0.15 . 1 . . . . . . . . 6448 1 879 . 1 1 73 73 GLY CA C 13 45.895 0.15 . 1 . . . . . . . . 6448 1 880 . 1 1 73 73 GLY N N 15 113.960 0.15 . 1 . . . . . . . . 6448 1 881 . 1 1 74 74 GLY H H 1 8.264 0.02 . 1 . . . . . . . . 6448 1 882 . 1 1 74 74 GLY HA2 H 1 3.854 0.02 . 2 . . . . . . . . 6448 1 883 . 1 1 74 74 GLY HA3 H 1 4.025 0.02 . 2 . . . . . . . . 6448 1 884 . 1 1 74 74 GLY C C 13 175.139 0.15 . 1 . . . . . . . . 6448 1 885 . 1 1 74 74 GLY CA C 13 45.620 0.15 . 1 . . . . . . . . 6448 1 886 . 1 1 74 74 GLY N N 15 107.626 0.15 . 1 . . . . . . . . 6448 1 887 . 1 1 75 75 GLU H H 1 7.625 0.02 . 1 . . . . . . . . 6448 1 888 . 1 1 75 75 GLU HA H 1 3.366 0.02 . 1 . . . . . . . . 6448 1 889 . 1 1 75 75 GLU HB2 H 1 2.363 0.02 . 2 . . . . . . . . 6448 1 890 . 1 1 75 75 GLU HB3 H 1 1.949 0.02 . 2 . . . . . . . . 6448 1 891 . 1 1 75 75 GLU HG2 H 1 2.281 0.02 . 2 . . . . . . . . 6448 1 892 . 1 1 75 75 GLU HG3 H 1 2.140 0.02 . 2 . . . . . . . . 6448 1 893 . 1 1 75 75 GLU C C 13 174.134 0.15 . 1 . . . . . . . . 6448 1 894 . 1 1 75 75 GLU CA C 13 61.089 0.15 . 1 . . . . . . . . 6448 1 895 . 1 1 75 75 GLU CB C 13 30.151 0.15 . 1 . . . . . . . . 6448 1 896 . 1 1 75 75 GLU CG C 13 37.538 0.15 . 1 . . . . . . . . 6448 1 897 . 1 1 75 75 GLU N N 15 120.513 0.15 . 1 . . . . . . . . 6448 1 898 . 1 1 76 76 TYR H H 1 7.487 0.02 . 1 . . . . . . . . 6448 1 899 . 1 1 76 76 TYR HA H 1 5.387 0.02 . 1 . . . . . . . . 6448 1 900 . 1 1 76 76 TYR HB2 H 1 2.850 0.02 . 2 . . . . . . . . 6448 1 901 . 1 1 76 76 TYR HB3 H 1 2.715 0.02 . 2 . . . . . . . . 6448 1 902 . 1 1 76 76 TYR HD1 H 1 7.349 0.02 . 1 . . . . . . . . 6448 1 903 . 1 1 76 76 TYR HD2 H 1 7.349 0.02 . 1 . . . . . . . . 6448 1 904 . 1 1 76 76 TYR HE1 H 1 7.101 0.02 . 1 . . . . . . . . 6448 1 905 . 1 1 76 76 TYR HE2 H 1 7.101 0.02 . 1 . . . . . . . . 6448 1 906 . 1 1 76 76 TYR C C 13 174.910 0.15 . 1 . . . . . . . . 6448 1 907 . 1 1 76 76 TYR CA C 13 55.727 0.15 . 1 . . . . . . . . 6448 1 908 . 1 1 76 76 TYR CB C 13 42.845 0.15 . 1 . . . . . . . . 6448 1 909 . 1 1 76 76 TYR CD1 C 13 132.552 0.15 . 1 . . . . . . . . 6448 1 910 . 1 1 76 76 TYR CD2 C 13 132.552 0.15 . 1 . . . . . . . . 6448 1 911 . 1 1 76 76 TYR CE1 C 13 116.390 0.15 . 2 . . . . . . . . 6448 1 912 . 1 1 76 76 TYR CE2 C 13 116.39 0.15 . 2 . . . . . . . . 6448 1 913 . 1 1 76 76 TYR N N 15 108.352 0.15 . 1 . . . . . . . . 6448 1 914 . 1 1 77 77 ALA H H 1 8.771 0.02 . 1 . . . . . . . . 6448 1 915 . 1 1 77 77 ALA HA H 1 4.776 0.02 . 1 . . . . . . . . 6448 1 916 . 1 1 77 77 ALA HB1 H 1 1.401 0.02 . 1 . . . . . . . . 6448 1 917 . 1 1 77 77 ALA HB2 H 1 1.401 0.02 . 1 . . . . . . . . 6448 1 918 . 1 1 77 77 ALA HB3 H 1 1.401 0.02 . 1 . . . . . . . . 6448 1 919 . 1 1 77 77 ALA C C 13 176.535 0.15 . 1 . . . . . . . . 6448 1 920 . 1 1 77 77 ALA CA C 13 51.136 0.15 . 1 . . . . . . . . 6448 1 921 . 1 1 77 77 ALA CB C 13 22.226 0.15 . 1 . . . . . . . . 6448 1 922 . 1 1 77 77 ALA N N 15 120.360 0.15 . 1 . . . . . . . . 6448 1 923 . 1 1 78 78 ARG H H 1 9.173 0.02 . 1 . . . . . . . . 6448 1 924 . 1 1 78 78 ARG HA H 1 5.191 0.02 . 1 . . . . . . . . 6448 1 925 . 1 1 78 78 ARG HB2 H 1 1.205 0.02 . 1 . . . . . . . . 6448 1 926 . 1 1 78 78 ARG HB3 H 1 1.205 0.02 . 1 . . . . . . . . 6448 1 927 . 1 1 78 78 ARG HG2 H 1 1.079 0.02 . 1 . . . . . . . . 6448 1 928 . 1 1 78 78 ARG HG3 H 1 1.079 0.02 . 1 . . . . . . . . 6448 1 929 . 1 1 78 78 ARG HD2 H 1 2.308 0.02 . 2 . . . . . . . . 6448 1 930 . 1 1 78 78 ARG HD3 H 1 1.944 0.02 . 2 . . . . . . . . 6448 1 931 . 1 1 78 78 ARG HE H 1 8.878 0.02 . 1 . . . . . . . . 6448 1 932 . 1 1 78 78 ARG C C 13 175.293 0.15 . 1 . . . . . . . . 6448 1 933 . 1 1 78 78 ARG CA C 13 55.167 0.15 . 1 . . . . . . . . 6448 1 934 . 1 1 78 78 ARG CB C 13 31.376 0.15 . 1 . . . . . . . . 6448 1 935 . 1 1 78 78 ARG CG C 13 27.937 0.15 . 1 . . . . . . . . 6448 1 936 . 1 1 78 78 ARG CD C 13 41.891 0.15 . 1 . . . . . . . . 6448 1 937 . 1 1 78 78 ARG N N 15 121.199 0.15 . 1 . . . . . . . . 6448 1 938 . 1 1 78 78 ARG NE N 15 83.799 0.15 . 1 . . . . . . . . 6448 1 939 . 1 1 79 79 GLN H H 1 9.234 0.02 . 1 . . . . . . . . 6448 1 940 . 1 1 79 79 GLN HA H 1 5.010 0.02 . 1 . . . . . . . . 6448 1 941 . 1 1 79 79 GLN HB2 H 1 2.176 0.02 . 2 . . . . . . . . 6448 1 942 . 1 1 79 79 GLN HB3 H 1 2.014 0.02 . 2 . . . . . . . . 6448 1 943 . 1 1 79 79 GLN HG2 H 1 2.244 0.02 . 2 . . . . . . . . 6448 1 944 . 1 1 79 79 GLN HG3 H 1 2.399 0.02 . 2 . . . . . . . . 6448 1 945 . 1 1 79 79 GLN HE21 H 1 7.211 0.02 . 1 . . . . . . . . 6448 1 946 . 1 1 79 79 GLN HE22 H 1 7.028 0.02 . 1 . . . . . . . . 6448 1 947 . 1 1 79 79 GLN C C 13 173.831 0.15 . 1 . . . . . . . . 6448 1 948 . 1 1 79 79 GLN CA C 13 54.010 0.15 . 1 . . . . . . . . 6448 1 949 . 1 1 79 79 GLN CB C 13 33.033 0.15 . 1 . . . . . . . . 6448 1 950 . 1 1 79 79 GLN CG C 13 33.204 0.15 . 1 . . . . . . . . 6448 1 951 . 1 1 79 79 GLN N N 15 122.704 0.15 . 1 . . . . . . . . 6448 1 952 . 1 1 79 79 GLN NE2 N 15 111.234 0.15 . 1 . . . . . . . . 6448 1 953 . 1 1 80 80 LEU H H 1 8.807 0.02 . 1 . . . . . . . . 6448 1 954 . 1 1 80 80 LEU HA H 1 4.282 0.02 . 1 . . . . . . . . 6448 1 955 . 1 1 80 80 LEU HB2 H 1 1.322 0.02 . 2 . . . . . . . . 6448 1 956 . 1 1 80 80 LEU HB3 H 1 0.924 0.02 . 2 . . . . . . . . 6448 1 957 . 1 1 80 80 LEU HG H 1 0.718 0.02 . 1 . . . . . . . . 6448 1 958 . 1 1 80 80 LEU HD11 H 1 -0.166 0.02 . 1 . . . . . . . . 6448 1 959 . 1 1 80 80 LEU HD12 H 1 -0.166 0.02 . 1 . . . . . . . . 6448 1 960 . 1 1 80 80 LEU HD13 H 1 -0.166 0.02 . 1 . . . . . . . . 6448 1 961 . 1 1 80 80 LEU HD21 H 1 0.158 0.02 . 1 . . . . . . . . 6448 1 962 . 1 1 80 80 LEU HD22 H 1 0.158 0.02 . 1 . . . . . . . . 6448 1 963 . 1 1 80 80 LEU HD23 H 1 0.158 0.02 . 1 . . . . . . . . 6448 1 964 . 1 1 80 80 LEU C C 13 177.164 0.15 . 1 . . . . . . . . 6448 1 965 . 1 1 80 80 LEU CA C 13 54.812 0.15 . 1 . . . . . . . . 6448 1 966 . 1 1 80 80 LEU CB C 13 43.013 0.15 . 1 . . . . . . . . 6448 1 967 . 1 1 80 80 LEU CG C 13 26.225 0.15 . 1 . . . . . . . . 6448 1 968 . 1 1 80 80 LEU CD1 C 13 22.837 0.15 . 1 . . . . . . . . 6448 1 969 . 1 1 80 80 LEU CD2 C 13 24.123 0.15 . 1 . . . . . . . . 6448 1 970 . 1 1 80 80 LEU N N 15 126.586 0.15 . 1 . . . . . . . . 6448 1 971 . 1 1 81 81 ILE H H 1 9.288 0.02 . 1 . . . . . . . . 6448 1 972 . 1 1 81 81 ILE HA H 1 4.691 0.02 . 1 . . . . . . . . 6448 1 973 . 1 1 81 81 ILE HB H 1 1.865 0.02 . 1 . . . . . . . . 6448 1 974 . 1 1 81 81 ILE HG12 H 1 1.103 0.02 . 2 . . . . . . . . 6448 1 975 . 1 1 81 81 ILE HG13 H 1 0.943 0.02 . 2 . . . . . . . . 6448 1 976 . 1 1 81 81 ILE HG21 H 1 0.853 0.02 . 1 . . . . . . . . 6448 1 977 . 1 1 81 81 ILE HG22 H 1 0.853 0.02 . 1 . . . . . . . . 6448 1 978 . 1 1 81 81 ILE HG23 H 1 0.853 0.02 . 1 . . . . . . . . 6448 1 979 . 1 1 81 81 ILE HD11 H 1 0.502 0.02 . 1 . . . . . . . . 6448 1 980 . 1 1 81 81 ILE HD12 H 1 0.502 0.02 . 1 . . . . . . . . 6448 1 981 . 1 1 81 81 ILE HD13 H 1 0.502 0.02 . 1 . . . . . . . . 6448 1 982 . 1 1 81 81 ILE C C 13 174.621 0.15 . 1 . . . . . . . . 6448 1 983 . 1 1 81 81 ILE CA C 13 59.221 0.15 . 1 . . . . . . . . 6448 1 984 . 1 1 81 81 ILE CB C 13 42.214 0.15 . 1 . . . . . . . . 6448 1 985 . 1 1 81 81 ILE CG1 C 13 26.090 0.15 . 1 . . . . . . . . 6448 1 986 . 1 1 81 81 ILE CG2 C 13 18.932 0.15 . 1 . . . . . . . . 6448 1 987 . 1 1 81 81 ILE CD1 C 13 15.253 0.15 . 1 . . . . . . . . 6448 1 988 . 1 1 81 81 ILE N N 15 121.244 0.15 . 1 . . . . . . . . 6448 1 989 . 1 1 82 82 GLN H H 1 8.351 0.02 . 1 . . . . . . . . 6448 1 990 . 1 1 82 82 GLN HA H 1 4.306 0.02 . 1 . . . . . . . . 6448 1 991 . 1 1 82 82 GLN HB2 H 1 1.923 0.02 . 2 . . . . . . . . 6448 1 992 . 1 1 82 82 GLN HB3 H 1 1.808 0.02 . 2 . . . . . . . . 6448 1 993 . 1 1 82 82 GLN HG2 H 1 2.280 0.02 . 1 . . . . . . . . 6448 1 994 . 1 1 82 82 GLN HG3 H 1 2.280 0.02 . 1 . . . . . . . . 6448 1 995 . 1 1 82 82 GLN HE21 H 1 7.475 0.02 . 1 . . . . . . . . 6448 1 996 . 1 1 82 82 GLN HE22 H 1 6.726 0.02 . 1 . . . . . . . . 6448 1 997 . 1 1 82 82 GLN C C 13 175.088 0.15 . 1 . . . . . . . . 6448 1 998 . 1 1 82 82 GLN CA C 13 54.880 0.15 . 1 . . . . . . . . 6448 1 999 . 1 1 82 82 GLN CB C 13 29.200 0.15 . 1 . . . . . . . . 6448 1 1000 . 1 1 82 82 GLN CG C 13 33.115 0.15 . 1 . . . . . . . . 6448 1 1001 . 1 1 82 82 GLN N N 15 119.690 0.15 . 1 . . . . . . . . 6448 1 1002 . 1 1 82 82 GLN NE2 N 15 112.195 0.15 . 1 . . . . . . . . 6448 1 1003 . 1 1 83 83 THR H H 1 7.024 0.02 . 1 . . . . . . . . 6448 1 1004 . 1 1 83 83 THR HA H 1 4.366 0.02 . 1 . . . . . . . . 6448 1 1005 . 1 1 83 83 THR HB H 1 3.306 0.02 . 1 . . . . . . . . 6448 1 1006 . 1 1 83 83 THR HG21 H 1 0.692 0.02 . 1 . . . . . . . . 6448 1 1007 . 1 1 83 83 THR HG22 H 1 0.692 0.02 . 1 . . . . . . . . 6448 1 1008 . 1 1 83 83 THR HG23 H 1 0.692 0.02 . 1 . . . . . . . . 6448 1 1009 . 1 1 83 83 THR C C 13 174.199 0.15 . 1 . . . . . . . . 6448 1 1010 . 1 1 83 83 THR CA C 13 59.358 0.15 . 1 . . . . . . . . 6448 1 1011 . 1 1 83 83 THR CB C 13 69.988 0.15 . 1 . . . . . . . . 6448 1 1012 . 1 1 83 83 THR CG2 C 13 21.501 0.15 . 1 . . . . . . . . 6448 1 1013 . 1 1 83 83 THR N N 15 112.528 0.15 . 1 . . . . . . . . 6448 1 1014 . 1 1 84 84 PRO HA H 1 4.144 0.02 . 1 . . . . . . . . 6448 1 1015 . 1 1 84 84 PRO HB2 H 1 2.113 0.02 . 2 . . . . . . . . 6448 1 1016 . 1 1 84 84 PRO HB3 H 1 0.879 0.02 . 2 . . . . . . . . 6448 1 1017 . 1 1 84 84 PRO HG2 H 1 1.550 0.02 . 2 . . . . . . . . 6448 1 1018 . 1 1 84 84 PRO HG3 H 1 1.767 0.02 . 2 . . . . . . . . 6448 1 1019 . 1 1 84 84 PRO HD2 H 1 2.904 0.02 . 2 . . . . . . . . 6448 1 1020 . 1 1 84 84 PRO HD3 H 1 2.523 0.02 . 2 . . . . . . . . 6448 1 1021 . 1 1 84 84 PRO C C 13 175.805 0.15 . 1 . . . . . . . . 6448 1 1022 . 1 1 84 84 PRO CA C 13 63.921 0.15 . 1 . . . . . . . . 6448 1 1023 . 1 1 84 84 PRO CB C 13 31.443 0.15 . 1 . . . . . . . . 6448 1 1024 . 1 1 84 84 PRO CG C 13 27.187 0.15 . 1 . . . . . . . . 6448 1 1025 . 1 1 84 84 PRO CD C 13 51.098 0.15 . 1 . . . . . . . . 6448 1 1026 . 1 1 85 85 TYR H H 1 7.492 0.02 . 1 . . . . . . . . 6448 1 1027 . 1 1 85 85 TYR HA H 1 4.427 0.02 . 1 . . . . . . . . 6448 1 1028 . 1 1 85 85 TYR HB2 H 1 3.338 0.02 . 2 . . . . . . . . 6448 1 1029 . 1 1 85 85 TYR HB3 H 1 2.127 0.02 . 2 . . . . . . . . 6448 1 1030 . 1 1 85 85 TYR HD1 H 1 6.852 0.02 . 1 . . . . . . . . 6448 1 1031 . 1 1 85 85 TYR HD2 H 1 6.852 0.02 . 1 . . . . . . . . 6448 1 1032 . 1 1 85 85 TYR HE1 H 1 6.609 0.02 . 1 . . . . . . . . 6448 1 1033 . 1 1 85 85 TYR HE2 H 1 6.609 0.02 . 1 . . . . . . . . 6448 1 1034 . 1 1 85 85 TYR C C 13 174.640 0.15 . 1 . . . . . . . . 6448 1 1035 . 1 1 85 85 TYR CA C 13 55.812 0.15 . 1 . . . . . . . . 6448 1 1036 . 1 1 85 85 TYR CB C 13 38.904 0.15 . 1 . . . . . . . . 6448 1 1037 . 1 1 85 85 TYR CD1 C 13 131.016 0.15 . 1 . . . . . . . . 6448 1 1038 . 1 1 85 85 TYR CD2 C 13 131.016 0.15 . 1 . . . . . . . . 6448 1 1039 . 1 1 85 85 TYR CE1 C 13 116.100 0.15 . 1 . . . . . . . . 6448 1 1040 . 1 1 85 85 TYR CE2 C 13 116.100 0.15 . 1 . . . . . . . . 6448 1 1041 . 1 1 85 85 TYR N N 15 115.680 0.15 . 1 . . . . . . . . 6448 1 1042 . 1 1 86 86 GLY H H 1 7.331 0.02 . 1 . . . . . . . . 6448 1 1043 . 1 1 86 86 GLY HA2 H 1 4.435 0.02 . 2 . . . . . . . . 6448 1 1044 . 1 1 86 86 GLY HA3 H 1 3.744 0.02 . 2 . . . . . . . . 6448 1 1045 . 1 1 86 86 GLY C C 13 174.974 0.15 . 1 . . . . . . . . 6448 1 1046 . 1 1 86 86 GLY CA C 13 42.506 0.15 . 1 . . . . . . . . 6448 1 1047 . 1 1 86 86 GLY N N 15 106.229 0.15 . 1 . . . . . . . . 6448 1 1048 . 1 1 87 87 SER H H 1 8.820 0.02 . 1 . . . . . . . . 6448 1 1049 . 1 1 87 87 SER HA H 1 4.609 0.02 . 1 . . . . . . . . 6448 1 1050 . 1 1 87 87 SER HB2 H 1 3.792 0.02 . 2 . . . . . . . . 6448 1 1051 . 1 1 87 87 SER HB3 H 1 3.558 0.02 . 2 . . . . . . . . 6448 1 1052 . 1 1 87 87 SER C C 13 174.483 0.15 . 1 . . . . . . . . 6448 1 1053 . 1 1 87 87 SER CA C 13 58.852 0.15 . 1 . . . . . . . . 6448 1 1054 . 1 1 87 87 SER CB C 13 63.072 0.15 . 1 . . . . . . . . 6448 1 1055 . 1 1 87 87 SER N N 15 118.019 0.15 . 1 . . . . . . . . 6448 1 1056 . 1 1 88 88 ALA H H 1 9.138 0.02 . 1 . . . . . . . . 6448 1 1057 . 1 1 88 88 ALA HA H 1 4.538 0.02 . 1 . . . . . . . . 6448 1 1058 . 1 1 88 88 ALA HB1 H 1 0.991 0.02 . 1 . . . . . . . . 6448 1 1059 . 1 1 88 88 ALA HB2 H 1 0.991 0.02 . 1 . . . . . . . . 6448 1 1060 . 1 1 88 88 ALA HB3 H 1 0.991 0.02 . 1 . . . . . . . . 6448 1 1061 . 1 1 88 88 ALA C C 13 174.302 0.15 . 1 . . . . . . . . 6448 1 1062 . 1 1 88 88 ALA CA C 13 50.581 0.15 . 1 . . . . . . . . 6448 1 1063 . 1 1 88 88 ALA CB C 13 23.550 0.15 . 1 . . . . . . . . 6448 1 1064 . 1 1 88 88 ALA N N 15 124.425 0.15 . 1 . . . . . . . . 6448 1 1065 . 1 1 89 89 TRP H H 1 8.403 0.02 . 1 . . . . . . . . 6448 1 1066 . 1 1 89 89 TRP HA H 1 5.115 0.02 . 1 . . . . . . . . 6448 1 1067 . 1 1 89 89 TRP HB2 H 1 2.953 0.02 . 2 . . . . . . . . 6448 1 1068 . 1 1 89 89 TRP HB3 H 1 2.751 0.02 . 2 . . . . . . . . 6448 1 1069 . 1 1 89 89 TRP HD1 H 1 7.238 0.02 . 1 . . . . . . . . 6448 1 1070 . 1 1 89 89 TRP HE1 H 1 10.165 0.02 . 1 . . . . . . . . 6448 1 1071 . 1 1 89 89 TRP HE3 H 1 7.178 0.02 . 1 . . . . . . . . 6448 1 1072 . 1 1 89 89 TRP HZ2 H 1 7.541 0.02 . 1 . . . . . . . . 6448 1 1073 . 1 1 89 89 TRP HZ3 H 1 7.061 0.02 . 1 . . . . . . . . 6448 1 1074 . 1 1 89 89 TRP HH2 H 1 7.274 0.02 . 1 . . . . . . . . 6448 1 1075 . 1 1 89 89 TRP C C 13 174.880 0.15 . 1 . . . . . . . . 6448 1 1076 . 1 1 89 89 TRP CA C 13 56.395 0.15 . 1 . . . . . . . . 6448 1 1077 . 1 1 89 89 TRP CB C 13 31.726 0.15 . 1 . . . . . . . . 6448 1 1078 . 1 1 89 89 TRP CD1 C 13 126.565 0.15 . 1 . . . . . . . . 6448 1 1079 . 1 1 89 89 TRP CE3 C 13 117.719 0.15 . 1 . . . . . . . . 6448 1 1080 . 1 1 89 89 TRP CZ2 C 13 114.541 0.15 . 1 . . . . . . . . 6448 1 1081 . 1 1 89 89 TRP CZ3 C 13 121.342 0.15 . 1 . . . . . . . . 6448 1 1082 . 1 1 89 89 TRP CH2 C 13 123.894 0.15 . 1 . . . . . . . . 6448 1 1083 . 1 1 89 89 TRP N N 15 120.427 0.15 . 1 . . . . . . . . 6448 1 1084 . 1 1 89 89 TRP NE1 N 15 129.824 0.15 . 1 . . . . . . . . 6448 1 1085 . 1 1 90 90 MET H H 1 9.397 0.02 . 1 . . . . . . . . 6448 1 1086 . 1 1 90 90 MET HA H 1 4.994 0.02 . 1 . . . . . . . . 6448 1 1087 . 1 1 90 90 MET HB2 H 1 2.021 0.02 . 1 . . . . . . . . 6448 1 1088 . 1 1 90 90 MET HB3 H 1 2.021 0.02 . 1 . . . . . . . . 6448 1 1089 . 1 1 90 90 MET HG2 H 1 2.807 0.02 . 2 . . . . . . . . 6448 1 1090 . 1 1 90 90 MET HG3 H 1 2.436 0.02 . 2 . . . . . . . . 6448 1 1091 . 1 1 90 90 MET HE1 H 1 1.184 0.02 . 1 . . . . . . . . 6448 1 1092 . 1 1 90 90 MET HE2 H 1 1.184 0.02 . 1 . . . . . . . . 6448 1 1093 . 1 1 90 90 MET HE3 H 1 1.184 0.02 . 1 . . . . . . . . 6448 1 1094 . 1 1 90 90 MET C C 13 174.956 0.15 . 1 . . . . . . . . 6448 1 1095 . 1 1 90 90 MET CA C 13 55.020 0.15 . 1 . . . . . . . . 6448 1 1096 . 1 1 90 90 MET CB C 13 37.869 0.15 . 1 . . . . . . . . 6448 1 1097 . 1 1 90 90 MET CG C 13 33.150 0.15 . 1 . . . . . . . . 6448 1 1098 . 1 1 90 90 MET CE C 13 17.550 0.15 . 1 . . . . . . . . 6448 1 1099 . 1 1 90 90 MET N N 15 120.487 0.15 . 1 . . . . . . . . 6448 1 1100 . 1 1 91 91 TYR H H 1 9.987 0.02 . 1 . . . . . . . . 6448 1 1101 . 1 1 91 91 TYR HA H 1 4.811 0.02 . 1 . . . . . . . . 6448 1 1102 . 1 1 91 91 TYR HB2 H 1 2.548 0.02 . 2 . . . . . . . . 6448 1 1103 . 1 1 91 91 TYR HB3 H 1 2.732 0.02 . 2 . . . . . . . . 6448 1 1104 . 1 1 91 91 TYR HD1 H 1 6.852 0.02 . 1 . . . . . . . . 6448 1 1105 . 1 1 91 91 TYR HD2 H 1 6.852 0.02 . 1 . . . . . . . . 6448 1 1106 . 1 1 91 91 TYR HE1 H 1 6.509 0.02 . 1 . . . . . . . . 6448 1 1107 . 1 1 91 91 TYR HE2 H 1 6.509 0.02 . 1 . . . . . . . . 6448 1 1108 . 1 1 91 91 TYR C C 13 175.349 0.15 . 1 . . . . . . . . 6448 1 1109 . 1 1 91 91 TYR CA C 13 59.791 0.15 . 1 . . . . . . . . 6448 1 1110 . 1 1 91 91 TYR CB C 13 37.901 0.15 . 1 . . . . . . . . 6448 1 1111 . 1 1 91 91 TYR CD1 C 13 131.016 0.15 . 1 . . . . . . . . 6448 1 1112 . 1 1 91 91 TYR CD2 C 13 131.016 0.15 . 1 . . . . . . . . 6448 1 1113 . 1 1 91 91 TYR CE1 C 13 116.148 0.15 . 1 . . . . . . . . 6448 1 1114 . 1 1 91 91 TYR CE2 C 13 116.148 0.15 . 1 . . . . . . . . 6448 1 1115 . 1 1 91 91 TYR N N 15 125.195 0.15 . 1 . . . . . . . . 6448 1 1116 . 1 1 92 92 VAL H H 1 9.754 0.02 . 1 . . . . . . . . 6448 1 1117 . 1 1 92 92 VAL HA H 1 4.617 0.02 . 1 . . . . . . . . 6448 1 1118 . 1 1 92 92 VAL HB H 1 2.159 0.02 . 1 . . . . . . . . 6448 1 1119 . 1 1 92 92 VAL HG11 H 1 1.409 0.02 . 1 . . . . . . . . 6448 1 1120 . 1 1 92 92 VAL HG12 H 1 1.409 0.02 . 1 . . . . . . . . 6448 1 1121 . 1 1 92 92 VAL HG13 H 1 1.409 0.02 . 1 . . . . . . . . 6448 1 1122 . 1 1 92 92 VAL HG21 H 1 1.122 0.02 . 1 . . . . . . . . 6448 1 1123 . 1 1 92 92 VAL HG22 H 1 1.122 0.02 . 1 . . . . . . . . 6448 1 1124 . 1 1 92 92 VAL HG23 H 1 1.122 0.02 . 1 . . . . . . . . 6448 1 1125 . 1 1 92 92 VAL C C 13 176.887 0.15 . 1 . . . . . . . . 6448 1 1126 . 1 1 92 92 VAL CA C 13 62.469 0.15 . 1 . . . . . . . . 6448 1 1127 . 1 1 92 92 VAL CB C 13 34.383 0.15 . 1 . . . . . . . . 6448 1 1128 . 1 1 92 92 VAL CG1 C 13 21.656 0.15 . 1 . . . . . . . . 6448 1 1129 . 1 1 92 92 VAL CG2 C 13 22.184 0.15 . 1 . . . . . . . . 6448 1 1130 . 1 1 92 92 VAL N N 15 129.859 0.15 . 1 . . . . . . . . 6448 1 1131 . 1 1 93 93 TYR H H 1 9.691 0.02 . 1 . . . . . . . . 6448 1 1132 . 1 1 93 93 TYR HA H 1 4.226 0.02 . 1 . . . . . . . . 6448 1 1133 . 1 1 93 93 TYR HB2 H 1 2.884 0.02 . 2 . . . . . . . . 6448 1 1134 . 1 1 93 93 TYR HB3 H 1 2.643 0.02 . 2 . . . . . . . . 6448 1 1135 . 1 1 93 93 TYR C C 13 176.075 0.15 . 1 . . . . . . . . 6448 1 1136 . 1 1 93 93 TYR CA C 13 59.813 0.15 . 1 . . . . . . . . 6448 1 1137 . 1 1 93 93 TYR CB C 13 39.142 0.15 . 1 . . . . . . . . 6448 1 1138 . 1 1 93 93 TYR N N 15 133.963 0.15 . 1 . . . . . . . . 6448 1 1139 . 1 1 94 94 GLN H H 1 8.103 0.02 . 1 . . . . . . . . 6448 1 1140 . 1 1 94 94 GLN HA H 1 4.265 0.02 . 1 . . . . . . . . 6448 1 1141 . 1 1 94 94 GLN HB2 H 1 2.280 0.02 . 2 . . . . . . . . 6448 1 1142 . 1 1 94 94 GLN HB3 H 1 1.812 0.02 . 2 . . . . . . . . 6448 1 1143 . 1 1 94 94 GLN HG2 H 1 2.047 0.02 . 2 . . . . . . . . 6448 1 1144 . 1 1 94 94 GLN HG3 H 1 2.327 0.02 . 2 . . . . . . . . 6448 1 1145 . 1 1 94 94 GLN HE21 H 1 6.725 0.02 . 1 . . . . . . . . 6448 1 1146 . 1 1 94 94 GLN HE22 H 1 7.468 0.02 . 1 . . . . . . . . 6448 1 1147 . 1 1 94 94 GLN C C 13 175.549 0.15 . 1 . . . . . . . . 6448 1 1148 . 1 1 94 94 GLN CA C 13 55.158 0.15 . 1 . . . . . . . . 6448 1 1149 . 1 1 94 94 GLN CB C 13 30.824 0.15 . 1 . . . . . . . . 6448 1 1150 . 1 1 94 94 GLN CG C 13 34.373 0.15 . 1 . . . . . . . . 6448 1 1151 . 1 1 94 94 GLN N N 15 121.970 0.15 . 1 . . . . . . . . 6448 1 1152 . 1 1 94 94 GLN NE2 N 15 115.609 0.15 . 1 . . . . . . . . 6448 1 1153 . 1 1 95 95 ARG H H 1 5.404 0.02 . 1 . . . . . . . . 6448 1 1154 . 1 1 95 95 ARG HA H 1 4.545 0.02 . 1 . . . . . . . . 6448 1 1155 . 1 1 95 95 ARG HB2 H 1 1.301 0.02 . 2 . . . . . . . . 6448 1 1156 . 1 1 95 95 ARG HB3 H 1 1.942 0.02 . 2 . . . . . . . . 6448 1 1157 . 1 1 95 95 ARG HG2 H 1 1.286 0.02 . 2 . . . . . . . . 6448 1 1158 . 1 1 95 95 ARG HG3 H 1 1.395 0.02 . 2 . . . . . . . . 6448 1 1159 . 1 1 95 95 ARG HD2 H 1 3.118 0.02 . 2 . . . . . . . . 6448 1 1160 . 1 1 95 95 ARG HD3 H 1 2.979 0.02 . 2 . . . . . . . . 6448 1 1161 . 1 1 95 95 ARG HE H 1 7.361 0.02 . 1 . . . . . . . . 6448 1 1162 . 1 1 95 95 ARG CA C 13 53.891 0.15 . 1 . . . . . . . . 6448 1 1163 . 1 1 95 95 ARG CB C 13 28.943 0.15 . 1 . . . . . . . . 6448 1 1164 . 1 1 95 95 ARG CG C 13 27.178 0.15 . 1 . . . . . . . . 6448 1 1165 . 1 1 95 95 ARG CD C 13 43.425 0.15 . 1 . . . . . . . . 6448 1 1166 . 1 1 95 95 ARG N N 15 117.784 0.15 . 1 . . . . . . . . 6448 1 1167 . 1 1 95 95 ARG NE N 15 84.831 0.15 . 1 . . . . . . . . 6448 1 1168 . 1 1 96 96 PRO HA H 1 4.375 0.02 . 1 . . . . . . . . 6448 1 1169 . 1 1 96 96 PRO HB2 H 1 2.419 0.02 . 2 . . . . . . . . 6448 1 1170 . 1 1 96 96 PRO HB3 H 1 1.863 0.02 . 2 . . . . . . . . 6448 1 1171 . 1 1 96 96 PRO HG2 H 1 1.937 0.02 . 2 . . . . . . . . 6448 1 1172 . 1 1 96 96 PRO HG3 H 1 2.069 0.02 . 2 . . . . . . . . 6448 1 1173 . 1 1 96 96 PRO HD2 H 1 3.519 0.02 . 2 . . . . . . . . 6448 1 1174 . 1 1 96 96 PRO HD3 H 1 3.719 0.02 . 2 . . . . . . . . 6448 1 1175 . 1 1 96 96 PRO C C 13 178.129 0.15 . 1 . . . . . . . . 6448 1 1176 . 1 1 96 96 PRO CA C 13 63.309 0.15 . 1 . . . . . . . . 6448 1 1177 . 1 1 96 96 PRO CB C 13 32.500 0.15 . 1 . . . . . . . . 6448 1 1178 . 1 1 96 96 PRO CG C 13 28.214 0.15 . 1 . . . . . . . . 6448 1 1179 . 1 1 96 96 PRO CD C 13 50.649 0.15 . 1 . . . . . . . . 6448 1 1180 . 1 1 97 97 VAL H H 1 8.216 0.02 . 1 . . . . . . . . 6448 1 1181 . 1 1 97 97 VAL HA H 1 4.278 0.02 . 1 . . . . . . . . 6448 1 1182 . 1 1 97 97 VAL HB H 1 1.307 0.02 . 1 . . . . . . . . 6448 1 1183 . 1 1 97 97 VAL HG11 H 1 0.543 0.02 . 1 . . . . . . . . 6448 1 1184 . 1 1 97 97 VAL HG12 H 1 0.543 0.02 . 1 . . . . . . . . 6448 1 1185 . 1 1 97 97 VAL HG13 H 1 0.543 0.02 . 1 . . . . . . . . 6448 1 1186 . 1 1 97 97 VAL HG21 H 1 0.375 0.02 . 1 . . . . . . . . 6448 1 1187 . 1 1 97 97 VAL HG22 H 1 0.375 0.02 . 1 . . . . . . . . 6448 1 1188 . 1 1 97 97 VAL HG23 H 1 0.375 0.02 . 1 . . . . . . . . 6448 1 1189 . 1 1 97 97 VAL C C 13 176.166 0.15 . 1 . . . . . . . . 6448 1 1190 . 1 1 97 97 VAL CA C 13 60.116 0.15 . 1 . . . . . . . . 6448 1 1191 . 1 1 97 97 VAL CB C 13 31.361 0.15 . 1 . . . . . . . . 6448 1 1192 . 1 1 97 97 VAL CG1 C 13 21.706 0.15 . 1 . . . . . . . . 6448 1 1193 . 1 1 97 97 VAL CG2 C 13 17.700 0.15 . 1 . . . . . . . . 6448 1 1194 . 1 1 97 97 VAL N N 15 112.213 0.15 . 1 . . . . . . . . 6448 1 1195 . 1 1 98 98 ASP H H 1 7.630 0.02 . 1 . . . . . . . . 6448 1 1196 . 1 1 98 98 ASP HA H 1 4.270 0.02 . 1 . . . . . . . . 6448 1 1197 . 1 1 98 98 ASP HB2 H 1 2.589 0.02 . 2 . . . . . . . . 6448 1 1198 . 1 1 98 98 ASP HB3 H 1 2.469 0.02 . 2 . . . . . . . . 6448 1 1199 . 1 1 98 98 ASP C C 13 177.022 0.15 . 1 . . . . . . . . 6448 1 1200 . 1 1 98 98 ASP CA C 13 55.923 0.15 . 1 . . . . . . . . 6448 1 1201 . 1 1 98 98 ASP CB C 13 40.574 0.15 . 1 . . . . . . . . 6448 1 1202 . 1 1 98 98 ASP N N 15 121.109 0.15 . 1 . . . . . . . . 6448 1 1203 . 1 1 99 99 GLY H H 1 8.836 0.02 . 1 . . . . . . . . 6448 1 1204 . 1 1 99 99 GLY HA2 H 1 4.044 0.02 . 2 . . . . . . . . 6448 1 1205 . 1 1 99 99 GLY HA3 H 1 3.884 0.02 . 2 . . . . . . . . 6448 1 1206 . 1 1 99 99 GLY C C 13 174.380 0.15 . 1 . . . . . . . . 6448 1 1207 . 1 1 99 99 GLY CA C 13 45.542 0.15 . 1 . . . . . . . . 6448 1 1208 . 1 1 99 99 GLY N N 15 111.621 0.15 . 1 . . . . . . . . 6448 1 1209 . 1 1 100 100 LEU H H 1 7.826 0.02 . 1 . . . . . . . . 6448 1 1210 . 1 1 100 100 LEU HA H 1 4.615 0.02 . 1 . . . . . . . . 6448 1 1211 . 1 1 100 100 LEU HB2 H 1 1.583 0.02 . 2 . . . . . . . . 6448 1 1212 . 1 1 100 100 LEU HB3 H 1 1.897 0.02 . 2 . . . . . . . . 6448 1 1213 . 1 1 100 100 LEU HG H 1 1.385 0.02 . 1 . . . . . . . . 6448 1 1214 . 1 1 100 100 LEU HD11 H 1 0.668 0.02 . 1 . . . . . . . . 6448 1 1215 . 1 1 100 100 LEU HD12 H 1 0.668 0.02 . 1 . . . . . . . . 6448 1 1216 . 1 1 100 100 LEU HD13 H 1 0.668 0.02 . 1 . . . . . . . . 6448 1 1217 . 1 1 100 100 LEU HD21 H 1 0.848 0.02 . 1 . . . . . . . . 6448 1 1218 . 1 1 100 100 LEU HD22 H 1 0.848 0.02 . 1 . . . . . . . . 6448 1 1219 . 1 1 100 100 LEU HD23 H 1 0.848 0.02 . 1 . . . . . . . . 6448 1 1220 . 1 1 100 100 LEU C C 13 176.884 0.15 . 1 . . . . . . . . 6448 1 1221 . 1 1 100 100 LEU CA C 13 53.932 0.15 . 1 . . . . . . . . 6448 1 1222 . 1 1 100 100 LEU CB C 13 42.481 0.15 . 1 . . . . . . . . 6448 1 1223 . 1 1 100 100 LEU CG C 13 26.869 0.15 . 1 . . . . . . . . 6448 1 1224 . 1 1 100 100 LEU CD1 C 13 25.813 0.15 . 1 . . . . . . . . 6448 1 1225 . 1 1 100 100 LEU CD2 C 13 21.527 0.15 . 1 . . . . . . . . 6448 1 1226 . 1 1 100 100 LEU N N 15 120.048 0.15 . 1 . . . . . . . . 6448 1 1227 . 1 1 101 101 LYS H H 1 8.390 0.02 . 1 . . . . . . . . 6448 1 1228 . 1 1 101 101 LYS HA H 1 4.464 0.02 . 1 . . . . . . . . 6448 1 1229 . 1 1 101 101 LYS HB2 H 1 1.882 0.02 . 1 . . . . . . . . 6448 1 1230 . 1 1 101 101 LYS HB3 H 1 1.882 0.02 . 1 . . . . . . . . 6448 1 1231 . 1 1 101 101 LYS HG2 H 1 1.423 0.02 . 2 . . . . . . . . 6448 1 1232 . 1 1 101 101 LYS HG3 H 1 1.504 0.02 . 2 . . . . . . . . 6448 1 1233 . 1 1 101 101 LYS HD2 H 1 1.729 0.02 . 1 . . . . . . . . 6448 1 1234 . 1 1 101 101 LYS HD3 H 1 1.729 0.02 . 1 . . . . . . . . 6448 1 1235 . 1 1 101 101 LYS HE2 H 1 3.037 0.02 . 1 . . . . . . . . 6448 1 1236 . 1 1 101 101 LYS HE3 H 1 3.037 0.02 . 1 . . . . . . . . 6448 1 1237 . 1 1 101 101 LYS C C 13 175.371 0.15 . 1 . . . . . . . . 6448 1 1238 . 1 1 101 101 LYS CA C 13 55.933 0.15 . 1 . . . . . . . . 6448 1 1239 . 1 1 101 101 LYS CB C 13 33.615 0.15 . 1 . . . . . . . . 6448 1 1240 . 1 1 101 101 LYS CG C 13 24.793 0.15 . 1 . . . . . . . . 6448 1 1241 . 1 1 101 101 LYS CD C 13 29.121 0.15 . 1 . . . . . . . . 6448 1 1242 . 1 1 101 101 LYS CE C 13 42.394 0.15 . 1 . . . . . . . . 6448 1 1243 . 1 1 101 101 LYS N N 15 120.865 0.15 . 1 . . . . . . . . 6448 1 1244 . 1 1 102 102 LEU HA H 1 3.703 0.02 . 1 . . . . . . . . 6448 1 1245 . 1 1 102 102 LEU HB2 H 1 1.616 0.02 . 2 . . . . . . . . 6448 1 1246 . 1 1 102 102 LEU HB3 H 1 1.307 0.02 . 2 . . . . . . . . 6448 1 1247 . 1 1 102 102 LEU HG H 1 0.964 0.02 . 1 . . . . . . . . 6448 1 1248 . 1 1 102 102 LEU HD11 H 1 0.349 0.02 . 1 . . . . . . . . 6448 1 1249 . 1 1 102 102 LEU HD12 H 1 0.349 0.02 . 1 . . . . . . . . 6448 1 1250 . 1 1 102 102 LEU HD13 H 1 0.349 0.02 . 1 . . . . . . . . 6448 1 1251 . 1 1 102 102 LEU HD21 H 1 0.797 0.02 . 1 . . . . . . . . 6448 1 1252 . 1 1 102 102 LEU HD22 H 1 0.797 0.02 . 1 . . . . . . . . 6448 1 1253 . 1 1 102 102 LEU HD23 H 1 0.797 0.02 . 1 . . . . . . . . 6448 1 1254 . 1 1 102 102 LEU C C 13 176.741 0.15 . 1 . . . . . . . . 6448 1 1255 . 1 1 102 102 LEU CA C 13 55.154 0.15 . 1 . . . . . . . . 6448 1 1256 . 1 1 102 102 LEU CB C 13 43.074 0.15 . 1 . . . . . . . . 6448 1 1257 . 1 1 102 102 LEU CG C 13 27.100 0.15 . 1 . . . . . . . . 6448 1 1258 . 1 1 102 102 LEU CD1 C 13 22.673 0.15 . 1 . . . . . . . . 6448 1 1259 . 1 1 102 102 LEU CD2 C 13 26.159 0.15 . 1 . . . . . . . . 6448 1 1260 . 1 1 103 103 ILE H H 1 8.987 0.02 . 1 . . . . . . . . 6448 1 1261 . 1 1 103 103 ILE HA H 1 4.313 0.02 . 1 . . . . . . . . 6448 1 1262 . 1 1 103 103 ILE HB H 1 1.896 0.02 . 1 . . . . . . . . 6448 1 1263 . 1 1 103 103 ILE HG12 H 1 1.549 0.02 . 2 . . . . . . . . 6448 1 1264 . 1 1 103 103 ILE HG13 H 1 1.219 0.02 . 2 . . . . . . . . 6448 1 1265 . 1 1 103 103 ILE HG21 H 1 0.945 0.02 . 1 . . . . . . . . 6448 1 1266 . 1 1 103 103 ILE HG22 H 1 0.945 0.02 . 1 . . . . . . . . 6448 1 1267 . 1 1 103 103 ILE HG23 H 1 0.945 0.02 . 1 . . . . . . . . 6448 1 1268 . 1 1 103 103 ILE HD11 H 1 0.989 0.02 . 1 . . . . . . . . 6448 1 1269 . 1 1 103 103 ILE HD12 H 1 0.989 0.02 . 1 . . . . . . . . 6448 1 1270 . 1 1 103 103 ILE HD13 H 1 0.989 0.02 . 1 . . . . . . . . 6448 1 1271 . 1 1 103 103 ILE C C 13 176.939 0.15 . 1 . . . . . . . . 6448 1 1272 . 1 1 103 103 ILE CA C 13 59.674 0.15 . 1 . . . . . . . . 6448 1 1273 . 1 1 103 103 ILE CB C 13 35.902 0.15 . 1 . . . . . . . . 6448 1 1274 . 1 1 103 103 ILE CG1 C 13 26.712 0.15 . 1 . . . . . . . . 6448 1 1275 . 1 1 103 103 ILE CG2 C 13 17.931 0.15 . 1 . . . . . . . . 6448 1 1276 . 1 1 103 103 ILE CD1 C 13 13.186 0.15 . 1 . . . . . . . . 6448 1 1277 . 1 1 103 103 ILE N N 15 128.230 0.15 . 1 . . . . . . . . 6448 1 1278 . 1 1 104 104 GLU H H 1 9.139 0.02 . 1 . . . . . . . . 6448 1 1279 . 1 1 104 104 GLU HA H 1 3.788 0.02 . 1 . . . . . . . . 6448 1 1280 . 1 1 104 104 GLU HB2 H 1 2.073 0.02 . 1 . . . . . . . . 6448 1 1281 . 1 1 104 104 GLU HB3 H 1 2.073 0.02 . 1 . . . . . . . . 6448 1 1282 . 1 1 104 104 GLU HG2 H 1 2.330 0.02 . 1 . . . . . . . . 6448 1 1283 . 1 1 104 104 GLU HG3 H 1 2.330 0.02 . 1 . . . . . . . . 6448 1 1284 . 1 1 104 104 GLU C C 13 177.569 0.15 . 1 . . . . . . . . 6448 1 1285 . 1 1 104 104 GLU CA C 13 60.580 0.15 . 1 . . . . . . . . 6448 1 1286 . 1 1 104 104 GLU CB C 13 29.398 0.15 . 1 . . . . . . . . 6448 1 1287 . 1 1 104 104 GLU CG C 13 36.724 0.15 . 1 . . . . . . . . 6448 1 1288 . 1 1 104 104 GLU N N 15 131.007 0.15 . 1 . . . . . . . . 6448 1 1289 . 1 1 105 105 SER H H 1 8.606 0.02 . 1 . . . . . . . . 6448 1 1290 . 1 1 105 105 SER HA H 1 4.280 0.02 . 1 . . . . . . . . 6448 1 1291 . 1 1 105 105 SER HB2 H 1 4.118 0.02 . 2 . . . . . . . . 6448 1 1292 . 1 1 105 105 SER HB3 H 1 3.971 0.02 . 2 . . . . . . . . 6448 1 1293 . 1 1 105 105 SER C C 13 176.511 0.15 . 1 . . . . . . . . 6448 1 1294 . 1 1 105 105 SER CA C 13 59.022 0.15 . 1 . . . . . . . . 6448 1 1295 . 1 1 105 105 SER CB C 13 64.075 0.15 . 1 . . . . . . . . 6448 1 1296 . 1 1 105 105 SER N N 15 112.402 0.15 . 1 . . . . . . . . 6448 1 1297 . 1 1 106 106 GLY H H 1 8.100 0.02 . 1 . . . . . . . . 6448 1 1298 . 1 1 106 106 GLY HA2 H 1 4.933 0.02 . 2 . . . . . . . . 6448 1 1299 . 1 1 106 106 GLY HA3 H 1 3.748 0.02 . 2 . . . . . . . . 6448 1 1300 . 1 1 106 106 GLY C C 13 172.190 0.15 . 1 . . . . . . . . 6448 1 1301 . 1 1 106 106 GLY CA C 13 47.025 0.15 . 1 . . . . . . . . 6448 1 1302 . 1 1 106 106 GLY N N 15 108.107 0.15 . 1 . . . . . . . . 6448 1 1303 . 1 1 107 107 ASP H H 1 7.931 0.02 . 1 . . . . . . . . 6448 1 1304 . 1 1 107 107 ASP HA H 1 5.108 0.02 . 1 . . . . . . . . 6448 1 1305 . 1 1 107 107 ASP HB2 H 1 2.010 0.02 . 2 . . . . . . . . 6448 1 1306 . 1 1 107 107 ASP HB3 H 1 2.965 0.02 . 2 . . . . . . . . 6448 1 1307 . 1 1 107 107 ASP C C 13 175.799 0.15 . 1 . . . . . . . . 6448 1 1308 . 1 1 107 107 ASP CA C 13 51.987 0.15 . 1 . . . . . . . . 6448 1 1309 . 1 1 107 107 ASP CB C 13 43.022 0.15 . 1 . . . . . . . . 6448 1 1310 . 1 1 107 107 ASP N N 15 118.742 0.15 . 1 . . . . . . . . 6448 1 1311 . 1 1 108 108 TRP H H 1 9.845 0.02 . 1 . . . . . . . . 6448 1 1312 . 1 1 108 108 TRP HA H 1 4.460 0.02 . 1 . . . . . . . . 6448 1 1313 . 1 1 108 108 TRP HB2 H 1 3.655 0.02 . 2 . . . . . . . . 6448 1 1314 . 1 1 108 108 TRP HB3 H 1 3.125 0.02 . 2 . . . . . . . . 6448 1 1315 . 1 1 108 108 TRP HD1 H 1 6.816 0.02 . 1 . . . . . . . . 6448 1 1316 . 1 1 108 108 TRP HE1 H 1 10.462 0.02 . 1 . . . . . . . . 6448 1 1317 . 1 1 108 108 TRP HE3 H 1 7.327 0.02 . 1 . . . . . . . . 6448 1 1318 . 1 1 108 108 TRP HZ2 H 1 7.317 0.02 . 1 . . . . . . . . 6448 1 1319 . 1 1 108 108 TRP HZ3 H 1 6.869 0.02 . 1 . . . . . . . . 6448 1 1320 . 1 1 108 108 TRP HH2 H 1 6.977 0.02 . 1 . . . . . . . . 6448 1 1321 . 1 1 108 108 TRP C C 13 175.955 0.15 . 1 . . . . . . . . 6448 1 1322 . 1 1 108 108 TRP CA C 13 58.435 0.15 . 1 . . . . . . . . 6448 1 1323 . 1 1 108 108 TRP CB C 13 32.689 0.15 . 1 . . . . . . . . 6448 1 1324 . 1 1 108 108 TRP CD1 C 13 125.472 0.15 . 1 . . . . . . . . 6448 1 1325 . 1 1 108 108 TRP CE3 C 13 119.715 0.15 . 1 . . . . . . . . 6448 1 1326 . 1 1 108 108 TRP CZ2 C 13 113.628 0.15 . 1 . . . . . . . . 6448 1 1327 . 1 1 108 108 TRP CZ3 C 13 119.939 0.15 . 1 . . . . . . . . 6448 1 1328 . 1 1 108 108 TRP CH2 C 13 123.517 0.15 . 1 . . . . . . . . 6448 1 1329 . 1 1 108 108 TRP N N 15 126.513 0.15 . 1 . . . . . . . . 6448 1 1330 . 1 1 108 108 TRP NE1 N 15 129.261 0.15 . 1 . . . . . . . . 6448 1 1331 . 1 1 109 109 LEU H H 1 8.110 0.02 . 1 . . . . . . . . 6448 1 1332 . 1 1 109 109 LEU HA H 1 4.004 0.02 . 1 . . . . . . . . 6448 1 1333 . 1 1 109 109 LEU HB2 H 1 1.530 0.02 . 2 . . . . . . . . 6448 1 1334 . 1 1 109 109 LEU HB3 H 1 1.650 0.02 . 2 . . . . . . . . 6448 1 1335 . 1 1 109 109 LEU HG H 1 1.553 0.02 . 1 . . . . . . . . 6448 1 1336 . 1 1 109 109 LEU HD11 H 1 0.756 0.02 . 1 . . . . . . . . 6448 1 1337 . 1 1 109 109 LEU HD12 H 1 0.756 0.02 . 1 . . . . . . . . 6448 1 1338 . 1 1 109 109 LEU HD13 H 1 0.756 0.02 . 1 . . . . . . . . 6448 1 1339 . 1 1 109 109 LEU HD21 H 1 0.702 0.02 . 1 . . . . . . . . 6448 1 1340 . 1 1 109 109 LEU HD22 H 1 0.702 0.02 . 1 . . . . . . . . 6448 1 1341 . 1 1 109 109 LEU HD23 H 1 0.702 0.02 . 1 . . . . . . . . 6448 1 1342 . 1 1 109 109 LEU C C 13 177.107 0.15 . 1 . . . . . . . . 6448 1 1343 . 1 1 109 109 LEU CA C 13 55.359 0.15 . 1 . . . . . . . . 6448 1 1344 . 1 1 109 109 LEU CB C 13 40.499 0.15 . 1 . . . . . . . . 6448 1 1345 . 1 1 109 109 LEU CG C 13 28.062 0.15 . 1 . . . . . . . . 6448 1 1346 . 1 1 109 109 LEU CD1 C 13 25.290 0.15 . 1 . . . . . . . . 6448 1 1347 . 1 1 109 109 LEU CD2 C 13 22.720 0.15 . 1 . . . . . . . . 6448 1 1348 . 1 1 109 109 LEU N N 15 115.205 0.15 . 1 . . . . . . . . 6448 1 1349 . 1 1 110 110 ASP H H 1 7.641 0.02 . 1 . . . . . . . . 6448 1 1350 . 1 1 110 110 ASP HA H 1 4.658 0.02 . 1 . . . . . . . . 6448 1 1351 . 1 1 110 110 ASP HB2 H 1 2.718 0.02 . 2 . . . . . . . . 6448 1 1352 . 1 1 110 110 ASP HB3 H 1 2.407 0.02 . 2 . . . . . . . . 6448 1 1353 . 1 1 110 110 ASP C C 13 176.599 0.15 . 1 . . . . . . . . 6448 1 1354 . 1 1 110 110 ASP CA C 13 53.696 0.15 . 1 . . . . . . . . 6448 1 1355 . 1 1 110 110 ASP CB C 13 40.489 0.15 . 1 . . . . . . . . 6448 1 1356 . 1 1 110 110 ASP N N 15 120.440 0.15 . 1 . . . . . . . . 6448 1 1357 . 1 1 111 111 ARG H H 1 7.834 0.02 . 1 . . . . . . . . 6448 1 1358 . 1 1 111 111 ARG HA H 1 4.090 0.02 . 1 . . . . . . . . 6448 1 1359 . 1 1 111 111 ARG HB2 H 1 1.589 0.02 . 1 . . . . . . . . 6448 1 1360 . 1 1 111 111 ARG HB3 H 1 1.589 0.02 . 1 . . . . . . . . 6448 1 1361 . 1 1 111 111 ARG HG2 H 1 1.253 0.02 . 2 . . . . . . . . 6448 1 1362 . 1 1 111 111 ARG HG3 H 1 1.310 0.02 . 2 . . . . . . . . 6448 1 1363 . 1 1 111 111 ARG HD2 H 1 2.222 0.02 . 2 . . . . . . . . 6448 1 1364 . 1 1 111 111 ARG HD3 H 1 2.566 0.02 . 2 . . . . . . . . 6448 1 1365 . 1 1 111 111 ARG HE H 1 6.722 0.02 . 1 . . . . . . . . 6448 1 1366 . 1 1 111 111 ARG C C 13 176.202 0.15 . 1 . . . . . . . . 6448 1 1367 . 1 1 111 111 ARG CA C 13 57.265 0.15 . 1 . . . . . . . . 6448 1 1368 . 1 1 111 111 ARG CB C 13 30.240 0.15 . 1 . . . . . . . . 6448 1 1369 . 1 1 111 111 ARG CG C 13 26.182 0.15 . 1 . . . . . . . . 6448 1 1370 . 1 1 111 111 ARG CD C 13 43.032 0.15 . 1 . . . . . . . . 6448 1 1371 . 1 1 111 111 ARG N N 15 120.294 0.15 . 1 . . . . . . . . 6448 1 1372 . 1 1 111 111 ARG NE N 15 84.534 0.15 . 1 . . . . . . . . 6448 1 1373 . 1 1 112 112 ASP H H 1 8.356 0.02 . 1 . . . . . . . . 6448 1 1374 . 1 1 112 112 ASP HA H 1 4.634 0.02 . 1 . . . . . . . . 6448 1 1375 . 1 1 112 112 ASP HB2 H 1 2.690 0.02 . 2 . . . . . . . . 6448 1 1376 . 1 1 112 112 ASP HB3 H 1 2.506 0.02 . 2 . . . . . . . . 6448 1 1377 . 1 1 112 112 ASP C C 13 176.290 0.15 . 1 . . . . . . . . 6448 1 1378 . 1 1 112 112 ASP CA C 13 54.592 0.15 . 1 . . . . . . . . 6448 1 1379 . 1 1 112 112 ASP CB C 13 41.110 0.15 . 1 . . . . . . . . 6448 1 1380 . 1 1 112 112 ASP N N 15 119.818 0.15 . 1 . . . . . . . . 6448 1 1381 . 1 1 113 113 LYS H H 1 7.822 0.02 . 1 . . . . . . . . 6448 1 1382 . 1 1 113 113 LYS HA H 1 4.122 0.02 . 1 . . . . . . . . 6448 1 1383 . 1 1 113 113 LYS HB2 H 1 1.769 0.02 . 1 . . . . . . . . 6448 1 1384 . 1 1 113 113 LYS HB3 H 1 1.769 0.02 . 1 . . . . . . . . 6448 1 1385 . 1 1 113 113 LYS HG2 H 1 1.317 0.02 . 2 . . . . . . . . 6448 1 1386 . 1 1 113 113 LYS HG3 H 1 1.394 0.02 . 2 . . . . . . . . 6448 1 1387 . 1 1 113 113 LYS HD2 H 1 1.620 0.02 . 1 . . . . . . . . 6448 1 1388 . 1 1 113 113 LYS HD3 H 1 1.620 0.02 . 1 . . . . . . . . 6448 1 1389 . 1 1 113 113 LYS HE2 H 1 2.930 0.02 . 1 . . . . . . . . 6448 1 1390 . 1 1 113 113 LYS HE3 H 1 2.930 0.02 . 1 . . . . . . . . 6448 1 1391 . 1 1 113 113 LYS C C 13 176.800 0.15 . 1 . . . . . . . . 6448 1 1392 . 1 1 113 113 LYS CA C 13 57.147 0.15 . 1 . . . . . . . . 6448 1 1393 . 1 1 113 113 LYS CB C 13 32.709 0.15 . 1 . . . . . . . . 6448 1 1394 . 1 1 113 113 LYS CG C 13 24.900 0.15 . 1 . . . . . . . . 6448 1 1395 . 1 1 113 113 LYS CD C 13 29.175 0.15 . 1 . . . . . . . . 6448 1 1396 . 1 1 113 113 LYS CE C 13 42.096 0.15 . 1 . . . . . . . . 6448 1 1397 . 1 1 113 113 LYS N N 15 120.849 0.15 . 1 . . . . . . . . 6448 1 1398 . 1 1 114 114 LEU H H 1 8.196 0.02 . 1 . . . . . . . . 6448 1 1399 . 1 1 114 114 LEU HA H 1 4.243 0.02 . 1 . . . . . . . . 6448 1 1400 . 1 1 114 114 LEU HB2 H 1 1.481 0.02 . 2 . . . . . . . . 6448 1 1401 . 1 1 114 114 LEU HB3 H 1 1.592 0.02 . 2 . . . . . . . . 6448 1 1402 . 1 1 114 114 LEU HG H 1 1.546 0.02 . 1 . . . . . . . . 6448 1 1403 . 1 1 114 114 LEU HD11 H 1 0.863 0.02 . 1 . . . . . . . . 6448 1 1404 . 1 1 114 114 LEU HD12 H 1 0.863 0.02 . 1 . . . . . . . . 6448 1 1405 . 1 1 114 114 LEU HD13 H 1 0.863 0.02 . 1 . . . . . . . . 6448 1 1406 . 1 1 114 114 LEU HD21 H 1 0.807 0.02 . 1 . . . . . . . . 6448 1 1407 . 1 1 114 114 LEU HD22 H 1 0.807 0.02 . 1 . . . . . . . . 6448 1 1408 . 1 1 114 114 LEU HD23 H 1 0.807 0.02 . 1 . . . . . . . . 6448 1 1409 . 1 1 114 114 LEU C C 13 177.367 0.15 . 1 . . . . . . . . 6448 1 1410 . 1 1 114 114 LEU CA C 13 55.358 0.15 . 1 . . . . . . . . 6448 1 1411 . 1 1 114 114 LEU CB C 13 42.170 0.15 . 1 . . . . . . . . 6448 1 1412 . 1 1 114 114 LEU CG C 13 26.987 0.15 . 1 . . . . . . . . 6448 1 1413 . 1 1 114 114 LEU CD1 C 13 24.986 0.15 . 2 . . . . . . . . 6448 1 1414 . 1 1 114 114 LEU CD2 C 13 23.335 0.15 . 2 . . . . . . . . 6448 1 1415 . 1 1 114 114 LEU N N 15 122.057 0.15 . 1 . . . . . . . . 6448 1 1416 . 1 1 115 115 GLU H H 1 8.200 0.02 . 1 . . . . . . . . 6448 1 1417 . 1 1 115 115 GLU HA H 1 4.158 0.02 . 1 . . . . . . . . 6448 1 1418 . 1 1 115 115 GLU HB2 H 1 1.857 0.02 . 1 . . . . . . . . 6448 1 1419 . 1 1 115 115 GLU HB3 H 1 1.857 0.02 . 1 . . . . . . . . 6448 1 1420 . 1 1 115 115 GLU HG2 H 1 2.126 0.02 . 2 . . . . . . . . 6448 1 1421 . 1 1 115 115 GLU HG3 H 1 2.171 0.02 . 2 . . . . . . . . 6448 1 1422 . 1 1 115 115 GLU C C 13 176.279 0.15 . 1 . . . . . . . . 6448 1 1423 . 1 1 115 115 GLU CA C 13 56.446 0.15 . 1 . . . . . . . . 6448 1 1424 . 1 1 115 115 GLU CB C 13 30.223 0.15 . 1 . . . . . . . . 6448 1 1425 . 1 1 115 115 GLU CG C 13 35.954 0.15 . 1 . . . . . . . . 6448 1 1426 . 1 1 115 115 GLU N N 15 120.684 0.15 . 1 . . . . . . . . 6448 1 1427 . 1 1 116 116 HIS H H 1 8.431 0.02 . 1 . . . . . . . . 6448 1 1428 . 1 1 116 116 HIS HA H 1 4.592 0.02 . 1 . . . . . . . . 6448 1 1429 . 1 1 116 116 HIS C C 13 174.506 0.15 . 1 . . . . . . . . 6448 1 1430 . 1 1 116 116 HIS CA C 13 55.503 0.15 . 1 . . . . . . . . 6448 1 1431 . 1 1 116 116 HIS CB C 13 29.139 0.15 . 1 . . . . . . . . 6448 1 1432 . 1 1 116 116 HIS N N 15 119.116 0.15 . 1 . . . . . . . . 6448 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode coupling_constants_set_1 _Coupling_constant_list.Entry_ID 6448 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $sample_cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 800 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 6448 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 3 3 ILE H . . . . 1 1 3 3 ILE HA . . . 7.1750 . . 1.5 . . . . . . . . . . . 6448 1 2 3JHNHA . 1 1 4 4 PHE H . . . . 1 1 4 4 PHE HA . . . 7.7206 . . 1.5 . . . . . . . . . . . 6448 1 3 3JHNHA . 1 1 5 5 VAL H . . . . 1 1 5 5 VAL HA . . . 7.8110 . . 1.5 . . . . . . . . . . . 6448 1 4 3JHNHA . 1 1 8 8 SER H . . . . 1 1 8 8 SER HA . . . 4.5817 . . 1.5 . . . . . . . . . . . 6448 1 5 3JHNHA . 1 1 10 10 ARG H . . . . 1 1 10 10 ARG HA . . . 4.6432 . . 1.5 . . . . . . . . . . . 6448 1 6 3JHNHA . 1 1 15 15 ASN H . . . . 1 1 15 15 ASN HA . . . 6.1602 . . 1.5 . . . . . . . . . . . 6448 1 7 3JHNHA . 1 1 16 16 SER H . . . . 1 1 16 16 SER HA . . . 4.3327 . . 1.5 . . . . . . . . . . . 6448 1 8 3JHNHA . 1 1 17 17 HIS H . . . . 1 1 17 17 HIS HA . . . 3.3590 . . 1.5 . . . . . . . . . . . 6448 1 9 3JHNHA . 1 1 22 22 ALA H . . . . 1 1 22 22 ALA HA . . . 5.5436 . . 1.5 . . . . . . . . . . . 6448 1 10 3JHNHA . 1 1 25 25 LEU H . . . . 1 1 25 25 LEU HA . . . 7.9249 . . 1.5 . . . . . . . . . . . 6448 1 11 3JHNHA . 1 1 27 27 ASP H . . . . 1 1 27 27 ASP HA . . . 5.3234 . . 1.5 . . . . . . . . . . . 6448 1 12 3JHNHA . 1 1 28 28 PHE H . . . . 1 1 28 28 PHE HA . . . 5.1577 . . 1.5 . . . . . . . . . . . 6448 1 13 3JHNHA . 1 1 29 29 SER H . . . . 1 1 29 29 SER HA . . . 7.5324 . . 1.5 . . . . . . . . . . . 6448 1 14 3JHNHA . 1 1 30 30 ILE H . . . . 1 1 30 30 ILE HA . . . 7.7495 . . 1.5 . . . . . . . . . . . 6448 1 15 3JHNHA . 1 1 31 31 ASP H . . . . 1 1 31 31 ASP HA . . . 5.7130 . . 1.5 . . . . . . . . . . . 6448 1 16 3JHNHA . 1 1 32 32 ASN H . . . . 1 1 32 32 ASN HA . . . 5.9518 . . 1.5 . . . . . . . . . . . 6448 1 17 3JHNHA . 1 1 33 33 TYR H . . . . 1 1 33 33 TYR HA . . . 5.8055 . . 1.5 . . . . . . . . . . . 6448 1 18 3JHNHA . 1 1 35 35 LEU H . . . . 1 1 35 35 LEU HA . . . 6.9079 . . 1.5 . . . . . . . . . . . 6448 1 19 3JHNHA . 1 1 36 36 TYR H . . . . 1 1 36 36 TYR HA . . . 7.8199 . . 1.5 . . . . . . . . . . . 6448 1 20 3JHNHA . 1 1 37 37 SER H . . . . 1 1 37 37 SER HA . . . 6.3304 . . 1.5 . . . . . . . . . . . 6448 1 21 3JHNHA . 1 1 38 38 LEU H . . . . 1 1 38 38 LEU HA . . . 8.2498 . . 1.5 . . . . . . . . . . . 6448 1 22 3JHNHA . 1 1 41 41 TYR H . . . . 1 1 41 41 TYR HA . . . 4.6443 . . 1.5 . . . . . . . . . . . 6448 1 23 3JHNHA . 1 1 44 44 ALA H . . . . 1 1 44 44 ALA HA . . . 6.6503 . . 1.5 . . . . . . . . . . . 6448 1 24 3JHNHA . 1 1 45 45 VAL H . . . . 1 1 45 45 VAL HA . . . 7.1369 . . 1.5 . . . . . . . . . . . 6448 1 25 3JHNHA . 1 1 51 51 VAL H . . . . 1 1 51 51 VAL HA . . . 7.7020 . . 1.5 . . . . . . . . . . . 6448 1 26 3JHNHA . 1 1 52 52 HIS H . . . . 1 1 52 52 HIS HA . . . 6.6598 . . 1.5 . . . . . . . . . . . 6448 1 27 3JHNHA . 1 1 56 56 TYR H . . . . 1 1 56 56 TYR HA . . . 8.3805 . . 1.5 . . . . . . . . . . . 6448 1 28 3JHNHA . 1 1 57 57 ARG H . . . . 1 1 57 57 ARG HA . . . 7.6014 . . 1.5 . . . . . . . . . . . 6448 1 29 3JHNHA . 1 1 59 59 ASP H . . . . 1 1 59 59 ASP HA . . . 0.95135 . . 1.5 . . . . . . . . . . . 6448 1 30 3JHNHA . 1 1 60 60 ASN H . . . . 1 1 60 60 ASN HA . . . 2.6365 . . 1.5 . . . . . . . . . . . 6448 1 31 3JHNHA . 1 1 61 61 ALA H . . . . 1 1 61 61 ALA HA . . . 3.6815 . . 1.5 . . . . . . . . . . . 6448 1 32 3JHNHA . 1 1 62 62 THR H . . . . 1 1 62 62 THR HA . . . 1.6025 . . 1.5 . . . . . . . . . . . 6448 1 33 3JHNHA . 1 1 63 63 LEU H . . . . 1 1 63 63 LEU HA . . . 3.0938 . . 1.5 . . . . . . . . . . . 6448 1 34 3JHNHA . 1 1 64 64 ALA H . . . . 1 1 64 64 ALA HA . . . 3.1794 . . 1.5 . . . . . . . . . . . 6448 1 35 3JHNHA . 1 1 65 65 GLU H . . . . 1 1 65 65 GLU HA . . . 4.2086 . . 1.5 . . . . . . . . . . . 6448 1 36 3JHNHA . 1 1 66 66 LEU H . . . . 1 1 66 66 LEU HA . . . 4.4245 . . 1.5 . . . . . . . . . . . 6448 1 37 3JHNHA . 1 1 68 68 ALA H . . . . 1 1 68 68 ALA HA . . . 3.5144 . . 1.5 . . . . . . . . . . . 6448 1 38 3JHNHA . 1 1 69 69 LEU H . . . . 1 1 69 69 LEU HA . . . 5.6352 . . 1.5 . . . . . . . . . . . 6448 1 39 3JHNHA . 1 1 70 70 ARG H . . . . 1 1 70 70 ARG HA . . . 5.8440 . . 1.5 . . . . . . . . . . . 6448 1 40 3JHNHA . 1 1 71 71 THR H . . . . 1 1 71 71 THR HA . . . 6.7139 . . 1.5 . . . . . . . . . . . 6448 1 41 3JHNHA . 1 1 76 76 TYR H . . . . 1 1 76 76 TYR HA . . . 7.6544 . . 1.5 . . . . . . . . . . . 6448 1 42 3JHNHA . 1 1 78 78 ARG H . . . . 1 1 78 78 ARG HA . . . 6.1756 . . 1.5 . . . . . . . . . . . 6448 1 43 3JHNHA . 1 1 79 79 GLN H . . . . 1 1 79 79 GLN HA . . . 8.1244 . . 1.5 . . . . . . . . . . . 6448 1 44 3JHNHA . 1 1 80 80 LEU H . . . . 1 1 80 80 LEU HA . . . 5.1914 . . 1.5 . . . . . . . . . . . 6448 1 45 3JHNHA . 1 1 81 81 ILE H . . . . 1 1 81 81 ILE HA . . . 8.3925 . . 1.5 . . . . . . . . . . . 6448 1 46 3JHNHA . 1 1 83 83 THR H . . . . 1 1 83 83 THR HA . . . 5.3887 . . 1.5 . . . . . . . . . . . 6448 1 47 3JHNHA . 1 1 85 85 TYR H . . . . 1 1 85 85 TYR HA . . . 6.6597 . . 1.5 . . . . . . . . . . . 6448 1 48 3JHNHA . 1 1 87 87 SER H . . . . 1 1 87 87 SER HA . . . 2.5943 . . 1.5 . . . . . . . . . . . 6448 1 49 3JHNHA . 1 1 88 88 ALA H . . . . 1 1 88 88 ALA HA . . . 6.8793 . . 1.5 . . . . . . . . . . . 6448 1 50 3JHNHA . 1 1 90 90 MET H . . . . 1 1 90 90 MET HA . . . 7.3705 . . 1.5 . . . . . . . . . . . 6448 1 51 3JHNHA . 1 1 91 91 TYR H . . . . 1 1 91 91 TYR HA . . . 5.6575 . . 1.5 . . . . . . . . . . . 6448 1 52 3JHNHA . 1 1 92 92 VAL H . . . . 1 1 92 92 VAL HA . . . 7.4830 . . 1.5 . . . . . . . . . . . 6448 1 53 3JHNHA . 1 1 93 93 TYR H . . . . 1 1 93 93 TYR HA . . . 4.1769 . . 1.5 . . . . . . . . . . . 6448 1 54 3JHNHA . 1 1 94 94 GLN H . . . . 1 1 94 94 GLN HA . . . 8.3800 . . 1.5 . . . . . . . . . . . 6448 1 55 3JHNHA . 1 1 95 95 ARG H . . . . 1 1 95 95 ARG HA . . . 7.2405 . . 1.5 . . . . . . . . . . . 6448 1 56 3JHNHA . 1 1 97 97 VAL H . . . . 1 1 97 97 VAL HA . . . 7.4971 . . 1.5 . . . . . . . . . . . 6448 1 57 3JHNHA . 1 1 98 98 ASP H . . . . 1 1 98 98 ASP HA . . . 2.2798 . . 1.5 . . . . . . . . . . . 6448 1 58 3JHNHA . 1 1 103 103 ILE H . . . . 1 1 103 103 ILE HA . . . 7.5634 . . 1.5 . . . . . . . . . . . 6448 1 59 3JHNHA . 1 1 104 104 GLU H . . . . 1 1 104 104 GLU HA . . . 2.8060 . . 1.5 . . . . . . . . . . . 6448 1 60 3JHNHA . 1 1 105 105 SER H . . . . 1 1 105 105 SER HA . . . 3.8728 . . 1.5 . . . . . . . . . . . 6448 1 61 3JHNHA . 1 1 107 107 ASP H . . . . 1 1 107 107 ASP HA . . . 7.5761 . . 1.5 . . . . . . . . . . . 6448 1 stop_ save_