data_7274 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7274 _Entry.Title ; Solution NMR structure of the YdfO protein from Escherichia coli. Northeast Structural Genomics target ER251 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-08-24 _Entry.Accession_date 2006-09-07 _Entry.Last_release_date 2007-02-01 _Entry.Original_release_date 2007-02-01 _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 P. Rossi . . . 7274 2 J. Cort . R. . 7274 3 C. Ho . K. . 7274 4 H. Janjua . . . 7274 5 K. Cunningham . . . 7274 6 L.-C. Ma . . . 7274 7 R. Xiao . . . 7274 8 J. Liu . . . 7274 9 M. Baran . . . 7274 10 G. Swapna . V.T. . 7274 11 T. Acton . B. . 7274 12 B. Rost . . . 7274 13 M. Kennedy . A. . 7274 14 G. Montelione . T. . 7274 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7274 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 680 7274 '15N chemical shifts' 168 7274 '1H chemical shifts' 1013 7274 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-02-01 2006-08-24 original author . 7274 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2HH8 'BMRB Entry Tracking System' 7274 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7274 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution NMR structure of the YdfO protein from Escherichia coli. Northeast Structural Genomics target ER251 ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 P. Rossi . . . 7274 1 2 J. Cort . R. . 7274 1 3 C. Ho . K. . 7274 1 4 H. Janjua . . . 7274 1 5 K. Cunningham . . . 7274 1 6 L.-C. Ma . . . 7274 1 7 R. Xiao . . . 7274 1 8 J. Liu . . . 7274 1 9 M. Baran . . . 7274 1 10 G. Swapna . V.T. . 7274 1 11 T. Acton . B. . 7274 1 12 B. Rost . . . 7274 1 13 M. Kennedy . A. . 7274 1 14 G. Montelione . T. . 7274 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID AutoStructure 7274 1 ER251 7274 1 NESG 7274 1 'NMR structure' 7274 1 'Northeast Structural Genomics Consortium' 7274 1 'Protein Structure Initiative' 7274 1 PSI-2 7274 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_protein_YdfO _Assembly.Sf_category assembly _Assembly.Sf_framecode system_protein_YdfO _Assembly.Entry_ID 7274 _Assembly.ID 1 _Assembly.Name 'Hypothetical protein YdfO' _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 7274 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 protein YdfO' 1 $protein_YdfO . . . native . . . . . 7274 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 yes PDB 2HH8 . . . . . . 7274 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Hypothetical protein YdfO' abbreviation 7274 1 'Hypothetical protein YdfO' system 7274 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_protein_YdfO _Entity.Sf_category entity _Entity.Sf_framecode protein_YdfO _Entity.Entry_ID 7274 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Hypothetical protein YdfO' _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 ; MEGLSMDQVVIFKQIFDKVR NDLNYQWFYSELKRHNVSHY IYYLATENVHIVLKNDNTVL LKGLKNIVSVKFSKDRHLIE TTSNKLKSREITFQEYRRNL AKAGVFRWVTNIHEQKRYYY TFDNSLLFTESIQKTTQIFP RLEHHHHHH ; _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 149 _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 2HH8 . "Solution Nmr Structure Of The Ydfo Protein From Escherichia Coli. Northeast Structural Genomics Target Er251" . . . . . 100.00 149 100.00 100.00 1.79e-103 . . . . 7274 1 2 no DBJ BAE76466 . "hypothetical protein [Escherichia coli str. K-12 substr. W3110]" . . . . . 91.28 136 99.26 99.26 6.62e-92 . . . . 7274 1 3 no DBJ BAJ43349 . "hypothetical protein ECDH1ME8569_1493 [Escherichia coli DH1]" . . . . . 94.63 141 99.29 99.29 2.93e-96 . . . . 7274 1 4 no EMBL CAQ98449 . "conserved hypothetical protein; Qin prophage [Escherichia coli IAI1]" . . . . . 91.28 136 99.26 99.26 6.62e-92 . . . . 7274 1 5 no EMBL CAR17640 . "conserved hypothetical protein; Qin prophage [Escherichia coli IAI39]" . . . . . 90.60 136 99.26 99.26 3.41e-91 . . . . 7274 1 6 no EMBL CBG34523 . "conserved hypothetical protein [Escherichia coli 042]" . . . . . 94.63 141 99.29 99.29 2.93e-96 . . . . 7274 1 7 no EMBL CDJ71949 . "Qin prophage protein [Escherichia coli str. K-12 substr. MC4100]" . . . . . 91.28 136 99.26 99.26 6.62e-92 . . . . 7274 1 8 no EMBL CDK69631 . "putative envelope protein [Klebsiella pneumoniae IS22]" . . . . . 91.28 136 99.26 99.26 6.62e-92 . . . . 7274 1 9 no GB AAC74622 . "Qin prophage; uncharacterized protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 91.28 136 99.26 99.26 6.62e-92 . . . . 7274 1 10 no GB AAN79909 . "Hypothetical protein ydfO [Escherichia coli CFT073]" . . . . . 93.96 141 97.14 99.29 7.06e-94 . . . . 7274 1 11 no GB ACA77728 . "protein of unknown function DUF1398 [Escherichia coli ATCC 8739]" . . . . . 91.28 136 99.26 99.26 6.62e-92 . . . . 7274 1 12 no GB ACB02759 . "Qin prophage; predicted protein [Escherichia coli str. K-12 substr. DH10B]" . . . . . 91.28 136 99.26 99.26 6.62e-92 . . . . 7274 1 13 no GB ACR65380 . "Qin prophage; predicted protein [Escherichia coli BW2952]" . . . . . 91.28 136 99.26 99.26 6.62e-92 . . . . 7274 1 14 no REF NP_416067 . "Qin prophage; uncharacterized protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 91.28 136 99.26 99.26 6.62e-92 . . . . 7274 1 15 no REF NP_753349 . "hypothetical protein c1440 [Escherichia coli CFT073]" . . . . . 93.96 141 97.14 99.29 7.06e-94 . . . . 7274 1 16 no REF WP_000373089 . "hypothetical protein [Escherichia coli]" . . . . . 91.28 136 98.53 98.53 4.94e-91 . . . . 7274 1 17 no REF WP_000373090 . "MULTISPECIES: Qin prophage; uncharacterized protein [Enterobacteriaceae]" . . . . . 91.28 136 99.26 99.26 6.62e-92 . . . . 7274 1 18 no REF WP_000398761 . "hypothetical protein [Escherichia coli]" . . . . . 93.96 141 97.14 99.29 7.06e-94 . . . . 7274 1 19 no SP P76156 . "RecName: Full=Uncharacterized protein YdfO [Escherichia coli K-12]" . . . . . 91.28 136 99.26 99.26 6.62e-92 . . . . 7274 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Hypothetical protein YdfO' abbreviation 7274 1 'Hypothetical protein YdfO' common 7274 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 . 7274 1 2 . GLU . 7274 1 3 . GLY . 7274 1 4 . LEU . 7274 1 5 . SER . 7274 1 6 . MET . 7274 1 7 . ASP . 7274 1 8 . GLN . 7274 1 9 . VAL . 7274 1 10 . VAL . 7274 1 11 . ILE . 7274 1 12 . PHE . 7274 1 13 . LYS . 7274 1 14 . GLN . 7274 1 15 . ILE . 7274 1 16 . PHE . 7274 1 17 . ASP . 7274 1 18 . LYS . 7274 1 19 . VAL . 7274 1 20 . ARG . 7274 1 21 . ASN . 7274 1 22 . ASP . 7274 1 23 . LEU . 7274 1 24 . ASN . 7274 1 25 . TYR . 7274 1 26 . GLN . 7274 1 27 . TRP . 7274 1 28 . PHE . 7274 1 29 . TYR . 7274 1 30 . SER . 7274 1 31 . GLU . 7274 1 32 . LEU . 7274 1 33 . LYS . 7274 1 34 . ARG . 7274 1 35 . HIS . 7274 1 36 . ASN . 7274 1 37 . VAL . 7274 1 38 . SER . 7274 1 39 . HIS . 7274 1 40 . TYR . 7274 1 41 . ILE . 7274 1 42 . TYR . 7274 1 43 . TYR . 7274 1 44 . LEU . 7274 1 45 . ALA . 7274 1 46 . THR . 7274 1 47 . GLU . 7274 1 48 . ASN . 7274 1 49 . VAL . 7274 1 50 . HIS . 7274 1 51 . ILE . 7274 1 52 . VAL . 7274 1 53 . LEU . 7274 1 54 . LYS . 7274 1 55 . ASN . 7274 1 56 . ASP . 7274 1 57 . ASN . 7274 1 58 . THR . 7274 1 59 . VAL . 7274 1 60 . LEU . 7274 1 61 . LEU . 7274 1 62 . LYS . 7274 1 63 . GLY . 7274 1 64 . LEU . 7274 1 65 . LYS . 7274 1 66 . ASN . 7274 1 67 . ILE . 7274 1 68 . VAL . 7274 1 69 . SER . 7274 1 70 . VAL . 7274 1 71 . LYS . 7274 1 72 . PHE . 7274 1 73 . SER . 7274 1 74 . LYS . 7274 1 75 . ASP . 7274 1 76 . ARG . 7274 1 77 . HIS . 7274 1 78 . LEU . 7274 1 79 . ILE . 7274 1 80 . GLU . 7274 1 81 . THR . 7274 1 82 . THR . 7274 1 83 . SER . 7274 1 84 . ASN . 7274 1 85 . LYS . 7274 1 86 . LEU . 7274 1 87 . LYS . 7274 1 88 . SER . 7274 1 89 . ARG . 7274 1 90 . GLU . 7274 1 91 . ILE . 7274 1 92 . THR . 7274 1 93 . PHE . 7274 1 94 . GLN . 7274 1 95 . GLU . 7274 1 96 . TYR . 7274 1 97 . ARG . 7274 1 98 . ARG . 7274 1 99 . ASN . 7274 1 100 . LEU . 7274 1 101 . ALA . 7274 1 102 . LYS . 7274 1 103 . ALA . 7274 1 104 . GLY . 7274 1 105 . VAL . 7274 1 106 . PHE . 7274 1 107 . ARG . 7274 1 108 . TRP . 7274 1 109 . VAL . 7274 1 110 . THR . 7274 1 111 . ASN . 7274 1 112 . ILE . 7274 1 113 . HIS . 7274 1 114 . GLU . 7274 1 115 . GLN . 7274 1 116 . LYS . 7274 1 117 . ARG . 7274 1 118 . TYR . 7274 1 119 . TYR . 7274 1 120 . TYR . 7274 1 121 . THR . 7274 1 122 . PHE . 7274 1 123 . ASP . 7274 1 124 . ASN . 7274 1 125 . SER . 7274 1 126 . LEU . 7274 1 127 . LEU . 7274 1 128 . PHE . 7274 1 129 . THR . 7274 1 130 . GLU . 7274 1 131 . SER . 7274 1 132 . ILE . 7274 1 133 . GLN . 7274 1 134 . LYS . 7274 1 135 . THR . 7274 1 136 . THR . 7274 1 137 . GLN . 7274 1 138 . ILE . 7274 1 139 . PHE . 7274 1 140 . PRO . 7274 1 141 . ARG . 7274 1 142 . LEU . 7274 1 143 . GLU . 7274 1 144 . HIS . 7274 1 145 . HIS . 7274 1 146 . HIS . 7274 1 147 . HIS . 7274 1 148 . HIS . 7274 1 149 . HIS . 7274 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 7274 1 . GLU 2 2 7274 1 . GLY 3 3 7274 1 . LEU 4 4 7274 1 . SER 5 5 7274 1 . MET 6 6 7274 1 . ASP 7 7 7274 1 . GLN 8 8 7274 1 . VAL 9 9 7274 1 . VAL 10 10 7274 1 . ILE 11 11 7274 1 . PHE 12 12 7274 1 . LYS 13 13 7274 1 . GLN 14 14 7274 1 . ILE 15 15 7274 1 . PHE 16 16 7274 1 . ASP 17 17 7274 1 . LYS 18 18 7274 1 . VAL 19 19 7274 1 . ARG 20 20 7274 1 . ASN 21 21 7274 1 . ASP 22 22 7274 1 . LEU 23 23 7274 1 . ASN 24 24 7274 1 . TYR 25 25 7274 1 . GLN 26 26 7274 1 . TRP 27 27 7274 1 . PHE 28 28 7274 1 . TYR 29 29 7274 1 . SER 30 30 7274 1 . GLU 31 31 7274 1 . LEU 32 32 7274 1 . LYS 33 33 7274 1 . ARG 34 34 7274 1 . HIS 35 35 7274 1 . ASN 36 36 7274 1 . VAL 37 37 7274 1 . SER 38 38 7274 1 . HIS 39 39 7274 1 . TYR 40 40 7274 1 . ILE 41 41 7274 1 . TYR 42 42 7274 1 . TYR 43 43 7274 1 . LEU 44 44 7274 1 . ALA 45 45 7274 1 . THR 46 46 7274 1 . GLU 47 47 7274 1 . ASN 48 48 7274 1 . VAL 49 49 7274 1 . HIS 50 50 7274 1 . ILE 51 51 7274 1 . VAL 52 52 7274 1 . LEU 53 53 7274 1 . LYS 54 54 7274 1 . ASN 55 55 7274 1 . ASP 56 56 7274 1 . ASN 57 57 7274 1 . THR 58 58 7274 1 . VAL 59 59 7274 1 . LEU 60 60 7274 1 . LEU 61 61 7274 1 . LYS 62 62 7274 1 . GLY 63 63 7274 1 . LEU 64 64 7274 1 . LYS 65 65 7274 1 . ASN 66 66 7274 1 . ILE 67 67 7274 1 . VAL 68 68 7274 1 . SER 69 69 7274 1 . VAL 70 70 7274 1 . LYS 71 71 7274 1 . PHE 72 72 7274 1 . SER 73 73 7274 1 . LYS 74 74 7274 1 . ASP 75 75 7274 1 . ARG 76 76 7274 1 . HIS 77 77 7274 1 . LEU 78 78 7274 1 . ILE 79 79 7274 1 . GLU 80 80 7274 1 . THR 81 81 7274 1 . THR 82 82 7274 1 . SER 83 83 7274 1 . ASN 84 84 7274 1 . LYS 85 85 7274 1 . LEU 86 86 7274 1 . LYS 87 87 7274 1 . SER 88 88 7274 1 . ARG 89 89 7274 1 . GLU 90 90 7274 1 . ILE 91 91 7274 1 . THR 92 92 7274 1 . PHE 93 93 7274 1 . GLN 94 94 7274 1 . GLU 95 95 7274 1 . TYR 96 96 7274 1 . ARG 97 97 7274 1 . ARG 98 98 7274 1 . ASN 99 99 7274 1 . LEU 100 100 7274 1 . ALA 101 101 7274 1 . LYS 102 102 7274 1 . ALA 103 103 7274 1 . GLY 104 104 7274 1 . VAL 105 105 7274 1 . PHE 106 106 7274 1 . ARG 107 107 7274 1 . TRP 108 108 7274 1 . VAL 109 109 7274 1 . THR 110 110 7274 1 . ASN 111 111 7274 1 . ILE 112 112 7274 1 . HIS 113 113 7274 1 . GLU 114 114 7274 1 . GLN 115 115 7274 1 . LYS 116 116 7274 1 . ARG 117 117 7274 1 . TYR 118 118 7274 1 . TYR 119 119 7274 1 . TYR 120 120 7274 1 . THR 121 121 7274 1 . PHE 122 122 7274 1 . ASP 123 123 7274 1 . ASN 124 124 7274 1 . SER 125 125 7274 1 . LEU 126 126 7274 1 . LEU 127 127 7274 1 . PHE 128 128 7274 1 . THR 129 129 7274 1 . GLU 130 130 7274 1 . SER 131 131 7274 1 . ILE 132 132 7274 1 . GLN 133 133 7274 1 . LYS 134 134 7274 1 . THR 135 135 7274 1 . THR 136 136 7274 1 . GLN 137 137 7274 1 . ILE 138 138 7274 1 . PHE 139 139 7274 1 . PRO 140 140 7274 1 . ARG 141 141 7274 1 . LEU 142 142 7274 1 . GLU 143 143 7274 1 . HIS 144 144 7274 1 . HIS 145 145 7274 1 . HIS 146 146 7274 1 . HIS 147 147 7274 1 . HIS 148 148 7274 1 . HIS 149 149 7274 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 7274 _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 $protein_YdfO . 562 . . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 7274 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 7274 _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 $protein_YdfO . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 7274 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7274 _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 protein YdfO' '[U-13C; U-15N]' . . 1 $protein_YdfO . . 0.69 . . mM . . . . 7274 1 2 NaN3 . . . . . . . 0.02 . . % . . . . 7274 1 3 DTT . . . . . . . 10 . . mM . . . . 7274 1 4 CaCl2 . . . . . . . 5 . . mM . . . . 7274 1 5 NaCl . . . . . . . 100 . . mM . . . . 7274 1 6 'ammonium acetate' . . . . . . . 20 . . mM . . . . 7274 1 7 D2O . . . . . . . 5 . . % . . . . 7274 1 8 H2O . . . . . . . 95 . . % . . . . 7274 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7274 _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 protein YdfO' '[U-5% 13C; U-15N]' . . 1 $protein_YdfO . . 0.74 . . mM . . . . 7274 2 2 NaN3 . . . . . . . 0.02 . . % . . . . 7274 2 3 DTT . . . . . . . 10 . . mM . . . . 7274 2 4 CaCl2 . . . . . . . 5 . . mM . . . . 7274 2 5 NaCl . . . . . . . 100 . . mM . . . . 7274 2 6 'ammonium acetate' . . . . . . . 20 . . mM . . . . 7274 2 7 D2O . . . . . . . 5 . . % . . . . 7274 2 8 H2O . . . . . . . 95 . . % . . . . 7274 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 7274 _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 protein YdfO' '[U-13C; U-15N]' . . 1 $protein_YdfO . . 0.69 . . mM . . . . 7274 3 2 NaN3 . . . . . . . 0.02 . . % . . . . 7274 3 3 DTT . . . . . . . 10 . . mM . . . . 7274 3 4 CaCl2 . . . . . . . 5 . . mM . . . . 7274 3 5 NaCl . . . . . . . 100 . . mM . . . . 7274 3 6 'ammonium acetate' . . . . . . . 20 . . mM . . . . 7274 3 7 D2O . . . . . . . 99.9 . . % . . . . 7274 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 7274 _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 'ionic strength' 0.1 . M 7274 1 pH 4.5 . pH 7274 1 pressure 1 . atm 7274 1 temperature 293 . K 7274 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 7274 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details 'Varian Inc.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7274 1 stop_ save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 7274 _Software.ID 2 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details 'Bruker Biospin' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 7274 2 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 7274 _Software.ID 3 _Software.Name DYANA _Software.Version 1.2 _Software.Details Gunthert loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 7274 3 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 7274 _Software.ID 4 _Software.Name X-PLOR _Software.Version 2.11.2 _Software.Details Clore loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7274 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 7274 _Software.ID 5 _Software.Name NMRPipe _Software.Version 2005 _Software.Details Delaglio loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7274 5 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 7274 _Software.ID 6 _Software.Name SPARKY _Software.Version 3.11 _Software.Details 'Goddard & Kneller' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7274 6 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 7274 _Software.ID 7 _Software.Name AutoAssign _Software.Version 2.2.1 _Software.Details 'Zimmerman, Moseley, Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7274 7 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 7274 _Software.ID 8 _Software.Name AutoStruct _Software.Version 2.1.1 _Software.Details 'Huang, Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 7274 8 stop_ save_ save_Hyper _Software.Sf_category software _Software.Sf_framecode Hyper _Software.Entry_ID 7274 _Software.ID 9 _Software.Name HYPER _Software.Version 2.1 _Software.Details 'Tejero, Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 7274 9 stop_ save_ save_PDBstat _Software.Sf_category software _Software.Sf_framecode PDBstat _Software.Entry_ID 7274 _Software.ID 10 _Software.Name PDBStat _Software.Version 4.1 _Software.Details 'Tejero, Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7274 10 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 7274 _Software.ID 11 _Software.Name PSVS _Software.Version 1.3 _Software.Details 'Bhattacharya, Montelione' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7274 11 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 7274 _Software.ID 12 _Software.Name CNS _Software.Version 1.1 _Software.Details Brunger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7274 12 stop_ save_ save_Procheck_NMR _Software.Sf_category software _Software.Sf_framecode Procheck_NMR _Software.Entry_ID 7274 _Software.ID 13 _Software.Name 'Procheck NMR' _Software.Version 3.51 _Software.Details 'Laskowski, MacArthur' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7274 13 stop_ save_ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID 7274 _Software.ID 14 _Software.Name MolProbity _Software.Version 3.01 _Software.Details 'Lovell, Richardson et. al.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7274 14 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 7274 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 7274 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian INOVA . 600 . . . 7274 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 7274 _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 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7274 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7274 1 3 HcCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7274 1 4 HcCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7274 1 5 CccoNH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7274 1 6 3D-HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7274 1 7 HNcoCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7274 1 8 HBHAcoNH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7274 1 9 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7274 1 10 '13C HSQC noct Stereospecific VL Me assign.' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7274 1 11 Het-NOE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7274 1 12 T1/T1rho . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7274 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 7274 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 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 . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 7274 _NMR_spec_expt.ID 2 _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 . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 7274 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HcCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 7274 _NMR_spec_expt.ID 4 _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 . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 7274 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CccoNH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 7274 _NMR_spec_expt.ID 6 _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 . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 7274 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 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 . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 7274 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HBHAcoNH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 7274 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 7274 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '13C HSQC noct Stereospecific VL Me assign.' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 7274 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name Het-NOE _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 7274 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name T1/T1rho _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 7274 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.251449530 external cylindrical parallel . . . . . . 7274 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 external cylindrical parallel . . . . . . 7274 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 external cylindrical parallel . . . . . . 7274 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 7274 _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 . 7274 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 4 4 LEU HA H 1 4.195 0.02 . 1 . . . . . . . . 7274 1 2 . 1 1 4 4 LEU HB2 H 1 1.515 0.02 . 2 . . . . . . . . 7274 1 3 . 1 1 4 4 LEU HB3 H 1 1.421 0.02 . 2 . . . . . . . . 7274 1 4 . 1 1 5 5 SER H H 1 8.116 0.02 . 1 . . . . . . . . 7274 1 5 . 1 1 5 5 SER N N 15 121.225 0.2 . 1 . . . . . . . . 7274 1 6 . 1 1 6 6 MET HA H 1 4.059 0.02 . 1 . . . . . . . . 7274 1 7 . 1 1 6 6 MET HB2 H 1 2.077 0.02 . 2 . . . . . . . . 7274 1 8 . 1 1 6 6 MET HB3 H 1 2.056 0.02 . 2 . . . . . . . . 7274 1 9 . 1 1 6 6 MET HG2 H 1 2.532 0.02 . 2 . . . . . . . . 7274 1 10 . 1 1 6 6 MET HG3 H 1 2.479 0.02 . 2 . . . . . . . . 7274 1 11 . 1 1 6 6 MET C C 13 171.707 0.2 . 1 . . . . . . . . 7274 1 12 . 1 1 6 6 MET CA C 13 54.948 0.2 . 1 . . . . . . . . 7274 1 13 . 1 1 6 6 MET CB C 13 32.912 0.2 . 1 . . . . . . . . 7274 1 14 . 1 1 6 6 MET CG C 13 30.891 0.2 . 1 . . . . . . . . 7274 1 15 . 1 1 7 7 ASP H H 1 8.720 0.02 . 1 . . . . . . . . 7274 1 16 . 1 1 7 7 ASP HA H 1 4.674 0.02 . 1 . . . . . . . . 7274 1 17 . 1 1 7 7 ASP HB2 H 1 2.797 0.02 . 2 . . . . . . . . 7274 1 18 . 1 1 7 7 ASP HB3 H 1 2.671 0.02 . 2 . . . . . . . . 7274 1 19 . 1 1 7 7 ASP C C 13 176.597 0.2 . 1 . . . . . . . . 7274 1 20 . 1 1 7 7 ASP CA C 13 54.037 0.2 . 1 . . . . . . . . 7274 1 21 . 1 1 7 7 ASP CB C 13 41.534 0.2 . 1 . . . . . . . . 7274 1 22 . 1 1 7 7 ASP N N 15 124.768 0.2 . 1 . . . . . . . . 7274 1 23 . 1 1 8 8 GLN H H 1 8.925 0.02 . 1 . . . . . . . . 7274 1 24 . 1 1 8 8 GLN HA H 1 4.097 0.02 . 1 . . . . . . . . 7274 1 25 . 1 1 8 8 GLN HB2 H 1 2.299 0.02 . 2 . . . . . . . . 7274 1 26 . 1 1 8 8 GLN HB3 H 1 2.125 0.02 . 2 . . . . . . . . 7274 1 27 . 1 1 8 8 GLN HG2 H 1 2.504 0.02 . 2 . . . . . . . . 7274 1 28 . 1 1 8 8 GLN HG3 H 1 2.412 0.02 . 2 . . . . . . . . 7274 1 29 . 1 1 8 8 GLN NE2 N 15 111.24 0.2 . 1 . . . . . . . . 7274 1 30 . 1 1 8 8 GLN HE21 H 1 7.502 0.02 . 1 . . . . . . . . 7274 1 31 . 1 1 8 8 GLN HE22 H 1 6.647 0.02 . 1 . . . . . . . . 7274 1 32 . 1 1 8 8 GLN C C 13 177.566 0.2 . 1 . . . . . . . . 7274 1 33 . 1 1 8 8 GLN CA C 13 58.384 0.2 . 1 . . . . . . . . 7274 1 34 . 1 1 8 8 GLN CB C 13 29.619 0.2 . 1 . . . . . . . . 7274 1 35 . 1 1 8 8 GLN CG C 13 34.211 0.2 . 1 . . . . . . . . 7274 1 36 . 1 1 8 8 GLN N N 15 122.863 0.2 . 1 . . . . . . . . 7274 1 37 . 1 1 9 9 VAL H H 1 8.282 0.02 . 1 . . . . . . . . 7274 1 38 . 1 1 9 9 VAL HA H 1 3.470 0.02 . 1 . . . . . . . . 7274 1 39 . 1 1 9 9 VAL HB H 1 2.193 0.02 . 1 . . . . . . . . 7274 1 40 . 1 1 9 9 VAL HG11 H 1 0.934 0.02 . 1 . . . . . . . . 7274 1 41 . 1 1 9 9 VAL HG12 H 1 0.934 0.02 . 1 . . . . . . . . 7274 1 42 . 1 1 9 9 VAL HG13 H 1 0.934 0.02 . 1 . . . . . . . . 7274 1 43 . 1 1 9 9 VAL HG21 H 1 1.084 0.02 . 1 . . . . . . . . 7274 1 44 . 1 1 9 9 VAL HG22 H 1 1.084 0.02 . 1 . . . . . . . . 7274 1 45 . 1 1 9 9 VAL HG23 H 1 1.084 0.02 . 1 . . . . . . . . 7274 1 46 . 1 1 9 9 VAL C C 13 177.491 0.2 . 1 . . . . . . . . 7274 1 47 . 1 1 9 9 VAL CA C 13 66.958 0.2 . 1 . . . . . . . . 7274 1 48 . 1 1 9 9 VAL CB C 13 31.342 0.2 . 1 . . . . . . . . 7274 1 49 . 1 1 9 9 VAL CG1 C 13 21.165 0.2 . 1 . . . . . . . . 7274 1 50 . 1 1 9 9 VAL CG2 C 13 22.946 0.2 . 1 . . . . . . . . 7274 1 51 . 1 1 9 9 VAL N N 15 119.352 0.2 . 1 . . . . . . . . 7274 1 52 . 1 1 10 10 VAL H H 1 7.180 0.02 . 1 . . . . . . . . 7274 1 53 . 1 1 10 10 VAL HA H 1 3.554 0.02 . 1 . . . . . . . . 7274 1 54 . 1 1 10 10 VAL HB H 1 2.074 0.02 . 1 . . . . . . . . 7274 1 55 . 1 1 10 10 VAL HG11 H 1 0.897 0.02 . 1 . . . . . . . . 7274 1 56 . 1 1 10 10 VAL HG12 H 1 0.897 0.02 . 1 . . . . . . . . 7274 1 57 . 1 1 10 10 VAL HG13 H 1 0.897 0.02 . 1 . . . . . . . . 7274 1 58 . 1 1 10 10 VAL HG21 H 1 0.999 0.02 . 1 . . . . . . . . 7274 1 59 . 1 1 10 10 VAL HG22 H 1 0.999 0.02 . 1 . . . . . . . . 7274 1 60 . 1 1 10 10 VAL HG23 H 1 0.999 0.02 . 1 . . . . . . . . 7274 1 61 . 1 1 10 10 VAL C C 13 178.466 0.2 . 1 . . . . . . . . 7274 1 62 . 1 1 10 10 VAL CA C 13 66.182 0.2 . 1 . . . . . . . . 7274 1 63 . 1 1 10 10 VAL CB C 13 31.734 0.2 . 1 . . . . . . . . 7274 1 64 . 1 1 10 10 VAL CG1 C 13 21.065 0.2 . 1 . . . . . . . . 7274 1 65 . 1 1 10 10 VAL CG2 C 13 22.570 0.2 . 1 . . . . . . . . 7274 1 66 . 1 1 10 10 VAL N N 15 118.509 0.2 . 1 . . . . . . . . 7274 1 67 . 1 1 11 11 ILE H H 1 7.295 0.02 . 1 . . . . . . . . 7274 1 68 . 1 1 11 11 ILE HA H 1 3.578 0.02 . 1 . . . . . . . . 7274 1 69 . 1 1 11 11 ILE HB H 1 1.593 0.02 . 1 . . . . . . . . 7274 1 70 . 1 1 11 11 ILE HG12 H 1 1.399 0.02 . 2 . . . . . . . . 7274 1 71 . 1 1 11 11 ILE HG13 H 1 1.017 0.02 . 2 . . . . . . . . 7274 1 72 . 1 1 11 11 ILE HG21 H 1 0.060 0.02 . 1 . . . . . . . . 7274 1 73 . 1 1 11 11 ILE HG22 H 1 0.060 0.02 . 1 . . . . . . . . 7274 1 74 . 1 1 11 11 ILE HG23 H 1 0.060 0.02 . 1 . . . . . . . . 7274 1 75 . 1 1 11 11 ILE HD11 H 1 0.662 0.02 . 1 . . . . . . . . 7274 1 76 . 1 1 11 11 ILE HD12 H 1 0.662 0.02 . 1 . . . . . . . . 7274 1 77 . 1 1 11 11 ILE HD13 H 1 0.662 0.02 . 1 . . . . . . . . 7274 1 78 . 1 1 11 11 ILE C C 13 178.922 0.2 . 1 . . . . . . . . 7274 1 79 . 1 1 11 11 ILE CA C 13 63.763 0.2 . 1 . . . . . . . . 7274 1 80 . 1 1 11 11 ILE CB C 13 37.743 0.2 . 1 . . . . . . . . 7274 1 81 . 1 1 11 11 ILE CG1 C 13 28.470 0.2 . 1 . . . . . . . . 7274 1 82 . 1 1 11 11 ILE CG2 C 13 15.816 0.2 . 1 . . . . . . . . 7274 1 83 . 1 1 11 11 ILE CD1 C 13 12.753 0.2 . 1 . . . . . . . . 7274 1 84 . 1 1 11 11 ILE N N 15 119.150 0.2 . 1 . . . . . . . . 7274 1 85 . 1 1 12 12 PHE H H 1 8.027 0.02 . 1 . . . . . . . . 7274 1 86 . 1 1 12 12 PHE HA H 1 4.274 0.02 . 1 . . . . . . . . 7274 1 87 . 1 1 12 12 PHE HB2 H 1 2.918 0.02 . 2 . . . . . . . . 7274 1 88 . 1 1 12 12 PHE HB3 H 1 2.796 0.02 . 2 . . . . . . . . 7274 1 89 . 1 1 12 12 PHE CD1 C 13 131.2 0.2 . 1 . . . . . . . . 7274 1 90 . 1 1 12 12 PHE CD2 C 13 131.2 0.2 . 1 . . . . . . . . 7274 1 91 . 1 1 12 12 PHE HD1 H 1 7.240 0.02 . 1 . . . . . . . . 7274 1 92 . 1 1 12 12 PHE HD2 H 1 7.240 0.02 . 1 . . . . . . . . 7274 1 93 . 1 1 12 12 PHE HZ H 1 7.298 0.02 . 1 . . . . . . . . 7274 1 94 . 1 1 12 12 PHE CZ C 13 130.0 0.2 . 1 . . . . . . . . 7274 1 95 . 1 1 12 12 PHE C C 13 177.812 0.2 . 1 . . . . . . . . 7274 1 96 . 1 1 12 12 PHE CA C 13 63.018 0.2 . 1 . . . . . . . . 7274 1 97 . 1 1 12 12 PHE CB C 13 38.761 0.2 . 1 . . . . . . . . 7274 1 98 . 1 1 12 12 PHE N N 15 116.150 0.2 . 1 . . . . . . . . 7274 1 99 . 1 1 13 13 LYS H H 1 9.038 0.02 . 1 . . . . . . . . 7274 1 100 . 1 1 13 13 LYS HA H 1 3.922 0.02 . 1 . . . . . . . . 7274 1 101 . 1 1 13 13 LYS HB2 H 1 1.938 0.02 . 2 . . . . . . . . 7274 1 102 . 1 1 13 13 LYS HB3 H 1 1.926 0.02 . 2 . . . . . . . . 7274 1 103 . 1 1 13 13 LYS C C 13 178.217 0.2 . 1 . . . . . . . . 7274 1 104 . 1 1 13 13 LYS CA C 13 60.553 0.2 . 1 . . . . . . . . 7274 1 105 . 1 1 13 13 LYS CB C 13 32.432 0.2 . 1 . . . . . . . . 7274 1 106 . 1 1 13 13 LYS CG C 13 25.029 0.2 . 1 . . . . . . . . 7274 1 107 . 1 1 13 13 LYS CD C 13 29.279 0.2 . 1 . . . . . . . . 7274 1 108 . 1 1 13 13 LYS CE C 13 42.367 0.2 . 1 . . . . . . . . 7274 1 109 . 1 1 13 13 LYS N N 15 123.262 0.2 . 1 . . . . . . . . 7274 1 110 . 1 1 14 14 GLN H H 1 7.798 0.02 . 1 . . . . . . . . 7274 1 111 . 1 1 14 14 GLN HA H 1 4.091 0.02 . 1 . . . . . . . . 7274 1 112 . 1 1 14 14 GLN HB2 H 1 2.224 0.02 . 2 . . . . . . . . 7274 1 113 . 1 1 14 14 GLN HB3 H 1 2.115 0.02 . 2 . . . . . . . . 7274 1 114 . 1 1 14 14 GLN HG2 H 1 2.638 0.02 . 2 . . . . . . . . 7274 1 115 . 1 1 14 14 GLN HG3 H 1 2.367 0.02 . 2 . . . . . . . . 7274 1 116 . 1 1 14 14 GLN HE21 H 1 7.371 0.02 . 1 . . . . . . . . 7274 1 117 . 1 1 14 14 GLN HE22 H 1 6.656 0.02 . 1 . . . . . . . . 7274 1 118 . 1 1 14 14 GLN C C 13 179.475 0.2 . 1 . . . . . . . . 7274 1 119 . 1 1 14 14 GLN CA C 13 59.413 0.2 . 1 . . . . . . . . 7274 1 120 . 1 1 14 14 GLN CB C 13 28.154 0.2 . 1 . . . . . . . . 7274 1 121 . 1 1 14 14 GLN CG C 13 34.100 0.2 . 1 . . . . . . . . 7274 1 122 . 1 1 14 14 GLN N N 15 116.404 0.2 . 1 . . . . . . . . 7274 1 123 . 1 1 14 14 GLN NE2 N 15 110.553 0.2 . 1 . . . . . . . . 7274 1 124 . 1 1 15 15 ILE H H 1 7.492 0.02 . 1 . . . . . . . . 7274 1 125 . 1 1 15 15 ILE HA H 1 3.883 0.02 . 1 . . . . . . . . 7274 1 126 . 1 1 15 15 ILE HB H 1 1.990 0.02 . 1 . . . . . . . . 7274 1 127 . 1 1 15 15 ILE HG12 H 1 1.932 0.02 . 2 . . . . . . . . 7274 1 128 . 1 1 15 15 ILE HG13 H 1 1.000 0.02 . 2 . . . . . . . . 7274 1 129 . 1 1 15 15 ILE HG21 H 1 0.903 0.02 . 1 . . . . . . . . 7274 1 130 . 1 1 15 15 ILE HG22 H 1 0.903 0.02 . 1 . . . . . . . . 7274 1 131 . 1 1 15 15 ILE HG23 H 1 0.903 0.02 . 1 . . . . . . . . 7274 1 132 . 1 1 15 15 ILE HD11 H 1 0.231 0.02 . 1 . . . . . . . . 7274 1 133 . 1 1 15 15 ILE HD12 H 1 0.231 0.02 . 1 . . . . . . . . 7274 1 134 . 1 1 15 15 ILE HD13 H 1 0.231 0.02 . 1 . . . . . . . . 7274 1 135 . 1 1 15 15 ILE C C 13 177.980 0.2 . 1 . . . . . . . . 7274 1 136 . 1 1 15 15 ILE CA C 13 65.971 0.2 . 1 . . . . . . . . 7274 1 137 . 1 1 15 15 ILE CB C 13 39.663 0.2 . 1 . . . . . . . . 7274 1 138 . 1 1 15 15 ILE CG1 C 13 29.110 0.2 . 1 . . . . . . . . 7274 1 139 . 1 1 15 15 ILE CG2 C 13 17.773 0.2 . 1 . . . . . . . . 7274 1 140 . 1 1 15 15 ILE CD1 C 13 14.187 0.2 . 1 . . . . . . . . 7274 1 141 . 1 1 15 15 ILE N N 15 120.167 0.2 . 1 . . . . . . . . 7274 1 142 . 1 1 16 16 PHE H H 1 8.692 0.02 . 1 . . . . . . . . 7274 1 143 . 1 1 16 16 PHE HA H 1 3.939 0.02 . 1 . . . . . . . . 7274 1 144 . 1 1 16 16 PHE HB2 H 1 3.094 0.02 . 2 . . . . . . . . 7274 1 145 . 1 1 16 16 PHE HB3 H 1 2.661 0.02 . 2 . . . . . . . . 7274 1 146 . 1 1 16 16 PHE CD1 C 13 131.1 0.2 . 1 . . . . . . . . 7274 1 147 . 1 1 16 16 PHE CD2 C 13 131.1 0.2 . 1 . . . . . . . . 7274 1 148 . 1 1 16 16 PHE HD1 H 1 7.424 0.02 . 1 . . . . . . . . 7274 1 149 . 1 1 16 16 PHE HD2 H 1 7.424 0.02 . 1 . . . . . . . . 7274 1 150 . 1 1 16 16 PHE C C 13 178.983 0.2 . 1 . . . . . . . . 7274 1 151 . 1 1 16 16 PHE CA C 13 62.016 0.2 . 1 . . . . . . . . 7274 1 152 . 1 1 16 16 PHE CB C 13 38.844 0.2 . 1 . . . . . . . . 7274 1 153 . 1 1 16 16 PHE N N 15 118.744 0.2 . 1 . . . . . . . . 7274 1 154 . 1 1 17 17 ASP H H 1 9.195 0.02 . 1 . . . . . . . . 7274 1 155 . 1 1 17 17 ASP HA H 1 4.260 0.02 . 1 . . . . . . . . 7274 1 156 . 1 1 17 17 ASP HB2 H 1 2.736 0.02 . 2 . . . . . . . . 7274 1 157 . 1 1 17 17 ASP HB3 H 1 2.476 0.02 . 2 . . . . . . . . 7274 1 158 . 1 1 17 17 ASP C C 13 178.352 0.2 . 1 . . . . . . . . 7274 1 159 . 1 1 17 17 ASP CA C 13 57.498 0.2 . 1 . . . . . . . . 7274 1 160 . 1 1 17 17 ASP CB C 13 39.213 0.2 . 1 . . . . . . . . 7274 1 161 . 1 1 17 17 ASP N N 15 121.180 0.2 . 1 . . . . . . . . 7274 1 162 . 1 1 18 18 LYS H H 1 7.644 0.02 . 1 . . . . . . . . 7274 1 163 . 1 1 18 18 LYS HA H 1 3.919 0.02 . 1 . . . . . . . . 7274 1 164 . 1 1 18 18 LYS C C 13 178.725 0.2 . 1 . . . . . . . . 7274 1 165 . 1 1 18 18 LYS CA C 13 59.967 0.2 . 1 . . . . . . . . 7274 1 166 . 1 1 18 18 LYS CB C 13 32.321 0.2 . 1 . . . . . . . . 7274 1 167 . 1 1 18 18 LYS CG C 13 24.196 0.2 . 1 . . . . . . . . 7274 1 168 . 1 1 18 18 LYS CD C 13 29.325 0.2 . 1 . . . . . . . . 7274 1 169 . 1 1 18 18 LYS CE C 13 41.835 0.2 . 1 . . . . . . . . 7274 1 170 . 1 1 18 18 LYS HB2 H 1 1.817 0.02 . 2 . . . . . . . . 7274 1 171 . 1 1 18 18 LYS HB3 H 1 1.766 0.02 . 2 . . . . . . . . 7274 1 172 . 1 1 18 18 LYS N N 15 119.774 0.2 . 1 . . . . . . . . 7274 1 173 . 1 1 19 19 VAL H H 1 7.158 0.02 . 1 . . . . . . . . 7274 1 174 . 1 1 19 19 VAL HA H 1 3.895 0.02 . 1 . . . . . . . . 7274 1 175 . 1 1 19 19 VAL HB H 1 1.179 0.02 . 1 . . . . . . . . 7274 1 176 . 1 1 19 19 VAL HG11 H 1 -0.513 0.02 . 1 . . . . . . . . 7274 1 177 . 1 1 19 19 VAL HG12 H 1 -0.513 0.02 . 1 . . . . . . . . 7274 1 178 . 1 1 19 19 VAL HG13 H 1 -0.513 0.02 . 1 . . . . . . . . 7274 1 179 . 1 1 19 19 VAL HG21 H 1 -0.698 0.02 . 1 . . . . . . . . 7274 1 180 . 1 1 19 19 VAL HG22 H 1 -0.698 0.02 . 1 . . . . . . . . 7274 1 181 . 1 1 19 19 VAL HG23 H 1 -0.698 0.02 . 1 . . . . . . . . 7274 1 182 . 1 1 19 19 VAL C C 13 176.888 0.2 . 1 . . . . . . . . 7274 1 183 . 1 1 19 19 VAL CA C 13 63.962 0.2 . 1 . . . . . . . . 7274 1 184 . 1 1 19 19 VAL CB C 13 30.240 0.2 . 1 . . . . . . . . 7274 1 185 . 1 1 19 19 VAL CG1 C 13 18.987 0.2 . 1 . . . . . . . . 7274 1 186 . 1 1 19 19 VAL CG2 C 13 20.168 0.2 . 1 . . . . . . . . 7274 1 187 . 1 1 19 19 VAL N N 15 118.073 0.2 . 1 . . . . . . . . 7274 1 188 . 1 1 20 20 ARG H H 1 6.898 0.02 . 1 . . . . . . . . 7274 1 189 . 1 1 20 20 ARG HA H 1 3.375 0.02 . 1 . . . . . . . . 7274 1 190 . 1 1 20 20 ARG HB2 H 1 1.562 0.02 . 2 . . . . . . . . 7274 1 191 . 1 1 20 20 ARG HB3 H 1 1.445 0.02 . 2 . . . . . . . . 7274 1 192 . 1 1 20 20 ARG C C 13 176.123 0.2 . 1 . . . . . . . . 7274 1 193 . 1 1 20 20 ARG CA C 13 59.191 0.2 . 1 . . . . . . . . 7274 1 194 . 1 1 20 20 ARG CB C 13 29.754 0.2 . 1 . . . . . . . . 7274 1 195 . 1 1 20 20 ARG CG C 13 27.257 0.2 . 1 . . . . . . . . 7274 1 196 . 1 1 20 20 ARG CD C 13 44.672 0.2 . 1 . . . . . . . . 7274 1 197 . 1 1 20 20 ARG N N 15 119.194 0.2 . 1 . . . . . . . . 7274 1 198 . 1 1 20 20 ARG NE N 15 108.8 0.2 . 1 . . . . . . . . 7274 1 199 . 1 1 20 20 ARG HE H 1 6.294 0.02 . 1 . . . . . . . . 7274 1 200 . 1 1 21 21 ASN H H 1 7.301 0.02 . 1 . . . . . . . . 7274 1 201 . 1 1 21 21 ASN HA H 1 4.716 0.02 . 1 . . . . . . . . 7274 1 202 . 1 1 21 21 ASN HB2 H 1 2.742 0.02 . 2 . . . . . . . . 7274 1 203 . 1 1 21 21 ASN HB3 H 1 2.741 0.02 . 2 . . . . . . . . 7274 1 204 . 1 1 21 21 ASN HD21 H 1 7.613 0.02 . 1 . . . . . . . . 7274 1 205 . 1 1 21 21 ASN HD22 H 1 6.878 0.02 . 1 . . . . . . . . 7274 1 206 . 1 1 21 21 ASN C C 13 176.020 0.2 . 1 . . . . . . . . 7274 1 207 . 1 1 21 21 ASN CA C 13 55.272 0.2 . 1 . . . . . . . . 7274 1 208 . 1 1 21 21 ASN CB C 13 40.336 0.2 . 1 . . . . . . . . 7274 1 209 . 1 1 21 21 ASN N N 15 115.290 0.2 . 1 . . . . . . . . 7274 1 210 . 1 1 21 21 ASN ND2 N 15 114.193 0.2 . 1 . . . . . . . . 7274 1 211 . 1 1 22 22 ASP H H 1 8.740 0.02 . 1 . . . . . . . . 7274 1 212 . 1 1 22 22 ASP HA H 1 4.519 0.02 . 1 . . . . . . . . 7274 1 213 . 1 1 22 22 ASP HB2 H 1 2.861 0.02 . 2 . . . . . . . . 7274 1 214 . 1 1 22 22 ASP HB3 H 1 2.373 0.02 . 2 . . . . . . . . 7274 1 215 . 1 1 22 22 ASP C C 13 176.742 0.2 . 1 . . . . . . . . 7274 1 216 . 1 1 22 22 ASP CA C 13 53.736 0.2 . 1 . . . . . . . . 7274 1 217 . 1 1 22 22 ASP CB C 13 40.965 0.2 . 1 . . . . . . . . 7274 1 218 . 1 1 22 22 ASP N N 15 116.804 0.2 . 1 . . . . . . . . 7274 1 219 . 1 1 23 23 LEU H H 1 8.797 0.02 . 1 . . . . . . . . 7274 1 220 . 1 1 23 23 LEU HA H 1 3.757 0.02 . 1 . . . . . . . . 7274 1 221 . 1 1 23 23 LEU HB2 H 1 2.072 0.02 . 1 . . . . . . . . 7274 1 222 . 1 1 23 23 LEU HB3 H 1 1.664 0.02 . 1 . . . . . . . . 7274 1 223 . 1 1 23 23 LEU HG H 1 1.472 0.02 . 1 . . . . . . . . 7274 1 224 . 1 1 23 23 LEU HD11 H 1 1.037 0.02 . 1 . . . . . . . . 7274 1 225 . 1 1 23 23 LEU HD12 H 1 1.037 0.02 . 1 . . . . . . . . 7274 1 226 . 1 1 23 23 LEU HD13 H 1 1.037 0.02 . 1 . . . . . . . . 7274 1 227 . 1 1 23 23 LEU HD21 H 1 1.085 0.02 . 1 . . . . . . . . 7274 1 228 . 1 1 23 23 LEU HD22 H 1 1.085 0.02 . 1 . . . . . . . . 7274 1 229 . 1 1 23 23 LEU HD23 H 1 1.085 0.02 . 1 . . . . . . . . 7274 1 230 . 1 1 23 23 LEU C C 13 175.868 0.2 . 1 . . . . . . . . 7274 1 231 . 1 1 23 23 LEU CA C 13 55.585 0.2 . 1 . . . . . . . . 7274 1 232 . 1 1 23 23 LEU CB C 13 39.226 0.2 . 1 . . . . . . . . 7274 1 233 . 1 1 23 23 LEU CG C 13 27.163 0.2 . 1 . . . . . . . . 7274 1 234 . 1 1 23 23 LEU CD1 C 13 26.422 0.2 . 1 . . . . . . . . 7274 1 235 . 1 1 23 23 LEU CD2 C 13 23.399 0.2 . 1 . . . . . . . . 7274 1 236 . 1 1 23 23 LEU N N 15 117.199 0.2 . 1 . . . . . . . . 7274 1 237 . 1 1 24 24 ASN H H 1 8.622 0.02 . 1 . . . . . . . . 7274 1 238 . 1 1 24 24 ASN HA H 1 4.938 0.02 . 1 . . . . . . . . 7274 1 239 . 1 1 24 24 ASN HB2 H 1 3.028 0.02 . 2 . . . . . . . . 7274 1 240 . 1 1 24 24 ASN HB3 H 1 2.446 0.02 . 2 . . . . . . . . 7274 1 241 . 1 1 24 24 ASN C C 13 176.927 0.2 . 1 . . . . . . . . 7274 1 242 . 1 1 24 24 ASN CA C 13 51.006 0.2 . 1 . . . . . . . . 7274 1 243 . 1 1 24 24 ASN CB C 13 35.706 0.2 . 1 . . . . . . . . 7274 1 244 . 1 1 24 24 ASN ND2 N 15 111.35 0.2 . 1 . . . . . . . . 7274 1 245 . 1 1 24 24 ASN HD21 H 1 7.486 0.02 . 1 . . . . . . . . 7274 1 246 . 1 1 24 24 ASN HD22 H 1 6.891 0.02 . 1 . . . . . . . . 7274 1 247 . 1 1 24 24 ASN N N 15 116.821 0.2 . 1 . . . . . . . . 7274 1 248 . 1 1 25 25 TYR H H 1 8.181 0.02 . 1 . . . . . . . . 7274 1 249 . 1 1 25 25 TYR HA H 1 3.708 0.02 . 1 . . . . . . . . 7274 1 250 . 1 1 25 25 TYR HB2 H 1 2.945 0.02 . 2 . . . . . . . . 7274 1 251 . 1 1 25 25 TYR HB3 H 1 2.790 0.02 . 2 . . . . . . . . 7274 1 252 . 1 1 25 25 TYR HD1 H 1 6.793 0.02 . 1 . . . . . . . . 7274 1 253 . 1 1 25 25 TYR HD2 H 1 6.793 0.02 . 1 . . . . . . . . 7274 1 254 . 1 1 25 25 TYR HE1 H 1 6.33 0.02 . 1 . . . . . . . . 7274 1 255 . 1 1 25 25 TYR HE2 H 1 6.33 0.02 . 1 . . . . . . . . 7274 1 256 . 1 1 25 25 TYR CD1 C 13 132.5 0.2 . 1 . . . . . . . . 7274 1 257 . 1 1 25 25 TYR CD2 C 13 132.5 0.2 . 1 . . . . . . . . 7274 1 258 . 1 1 25 25 TYR CE1 C 13 117.4 0.2 . 1 . . . . . . . . 7274 1 259 . 1 1 25 25 TYR CE2 C 13 117.4 0.2 . 1 . . . . . . . . 7274 1 260 . 1 1 25 25 TYR C C 13 176.758 0.2 . 1 . . . . . . . . 7274 1 261 . 1 1 25 25 TYR CA C 13 63.097 0.2 . 1 . . . . . . . . 7274 1 262 . 1 1 25 25 TYR CB C 13 37.871 0.2 . 1 . . . . . . . . 7274 1 263 . 1 1 25 25 TYR N N 15 126.893 0.2 . 1 . . . . . . . . 7274 1 264 . 1 1 26 26 GLN HE21 H 1 7.670 0.02 . 1 . . . . . . . . 7274 1 265 . 1 1 26 26 GLN H H 1 8.605 0.02 . 1 . . . . . . . . 7274 1 266 . 1 1 26 26 GLN HA H 1 4.231 0.02 . 1 . . . . . . . . 7274 1 267 . 1 1 26 26 GLN HB2 H 1 2.262 0.02 . 1 . . . . . . . . 7274 1 268 . 1 1 26 26 GLN HB3 H 1 2.262 0.02 . 1 . . . . . . . . 7274 1 269 . 1 1 26 26 GLN HG2 H 1 2.550 0.02 . 2 . . . . . . . . 7274 1 270 . 1 1 26 26 GLN HG3 H 1 2.496 0.02 . 2 . . . . . . . . 7274 1 271 . 1 1 26 26 GLN HE22 H 1 7.018 0.02 . 1 . . . . . . . . 7274 1 272 . 1 1 26 26 GLN C C 13 179.263 0.2 . 1 . . . . . . . . 7274 1 273 . 1 1 26 26 GLN CA C 13 59.812 0.2 . 1 . . . . . . . . 7274 1 274 . 1 1 26 26 GLN CB C 13 27.831 0.2 . 1 . . . . . . . . 7274 1 275 . 1 1 26 26 GLN CG C 13 34.335 0.2 . 1 . . . . . . . . 7274 1 276 . 1 1 26 26 GLN N N 15 120.329 0.2 . 1 . . . . . . . . 7274 1 277 . 1 1 26 26 GLN NE2 N 15 112.984 0.2 . 1 . . . . . . . . 7274 1 278 . 1 1 27 27 TRP H H 1 7.669 0.02 . 1 . . . . . . . . 7274 1 279 . 1 1 27 27 TRP HA H 1 3.990 0.02 . 1 . . . . . . . . 7274 1 280 . 1 1 27 27 TRP HB2 H 1 3.228 0.02 . 2 . . . . . . . . 7274 1 281 . 1 1 27 27 TRP HB3 H 1 2.966 0.02 . 2 . . . . . . . . 7274 1 282 . 1 1 27 27 TRP HD1 H 1 7.326 0.02 . 1 . . . . . . . . 7274 1 283 . 1 1 27 27 TRP HE1 H 1 10.253 0.02 . 1 . . . . . . . . 7274 1 284 . 1 1 27 27 TRP HZ2 H 1 7.409 0.02 . 1 . . . . . . . . 7274 1 285 . 1 1 27 27 TRP C C 13 177.340 0.2 . 1 . . . . . . . . 7274 1 286 . 1 1 27 27 TRP CA C 13 61.121 0.2 . 1 . . . . . . . . 7274 1 287 . 1 1 27 27 TRP CB C 13 29.541 0.2 . 1 . . . . . . . . 7274 1 288 . 1 1 27 27 TRP CD1 C 13 127.836 0.2 . 1 . . . . . . . . 7274 1 289 . 1 1 27 27 TRP CZ2 C 13 115.147 0.2 . 1 . . . . . . . . 7274 1 290 . 1 1 27 27 TRP CH2 C 13 124.6 0.2 . 1 . . . . . . . . 7274 1 291 . 1 1 27 27 TRP HH2 H 1 7.144 0.02 . 1 . . . . . . . . 7274 1 292 . 1 1 27 27 TRP CZ3 C 13 122.0 0.2 . 1 . . . . . . . . 7274 1 293 . 1 1 27 27 TRP HZ3 H 1 7.197 0.02 . 1 . . . . . . . . 7274 1 294 . 1 1 27 27 TRP CE3 C 13 120.76 0.2 . 1 . . . . . . . . 7274 1 295 . 1 1 27 27 TRP HE3 H 1 7.470 0.02 . 1 . . . . . . . . 7274 1 296 . 1 1 27 27 TRP N N 15 120.919 0.2 . 1 . . . . . . . . 7274 1 297 . 1 1 27 27 TRP NE1 N 15 130.937 0.2 . 1 . . . . . . . . 7274 1 298 . 1 1 28 28 PHE H H 1 7.393 0.02 . 1 . . . . . . . . 7274 1 299 . 1 1 28 28 PHE HA H 1 3.870 0.02 . 1 . . . . . . . . 7274 1 300 . 1 1 28 28 PHE HB2 H 1 2.850 0.02 . 2 . . . . . . . . 7274 1 301 . 1 1 28 28 PHE HB3 H 1 2.693 0.02 . 2 . . . . . . . . 7274 1 302 . 1 1 28 28 PHE CE1 C 13 131.9 0.2 . 1 . . . . . . . . 7274 1 303 . 1 1 28 28 PHE CE2 C 13 131.9 0.2 . 1 . . . . . . . . 7274 1 304 . 1 1 28 28 PHE HE1 H 1 7.066 0.02 . 1 . . . . . . . . 7274 1 305 . 1 1 28 28 PHE HE2 H 1 7.066 0.02 . 1 . . . . . . . . 7274 1 306 . 1 1 28 28 PHE CD1 C 13 129.5 0.2 . 1 . . . . . . . . 7274 1 307 . 1 1 28 28 PHE CD2 C 13 129.5 0.2 . 1 . . . . . . . . 7274 1 308 . 1 1 28 28 PHE HD1 H 1 5.690 0.02 . 1 . . . . . . . . 7274 1 309 . 1 1 28 28 PHE HD2 H 1 5.690 0.02 . 1 . . . . . . . . 7274 1 310 . 1 1 28 28 PHE C C 13 176.520 0.2 . 1 . . . . . . . . 7274 1 311 . 1 1 28 28 PHE CA C 13 60.423 0.2 . 1 . . . . . . . . 7274 1 312 . 1 1 28 28 PHE CB C 13 40.356 0.2 . 1 . . . . . . . . 7274 1 313 . 1 1 28 28 PHE N N 15 119.654 0.2 . 1 . . . . . . . . 7274 1 314 . 1 1 29 29 TYR H H 1 8.927 0.02 . 1 . . . . . . . . 7274 1 315 . 1 1 29 29 TYR HA H 1 4.011 0.02 . 1 . . . . . . . . 7274 1 316 . 1 1 29 29 TYR HB2 H 1 3.076 0.02 . 2 . . . . . . . . 7274 1 317 . 1 1 29 29 TYR HB3 H 1 2.943 0.02 . 2 . . . . . . . . 7274 1 318 . 1 1 29 29 TYR HD1 H 1 7.02 0.02 . 1 . . . . . . . . 7274 1 319 . 1 1 29 29 TYR HD2 H 1 7.02 0.02 . 1 . . . . . . . . 7274 1 320 . 1 1 29 29 TYR HE1 H 1 7.052 0.02 . 1 . . . . . . . . 7274 1 321 . 1 1 29 29 TYR HE2 H 1 7.052 0.02 . 1 . . . . . . . . 7274 1 322 . 1 1 29 29 TYR CD1 C 13 132.8 0.2 . 1 . . . . . . . . 7274 1 323 . 1 1 29 29 TYR CD2 C 13 132.8 0.2 . 1 . . . . . . . . 7274 1 324 . 1 1 29 29 TYR CE1 C 13 118.4 0.2 . 1 . . . . . . . . 7274 1 325 . 1 1 29 29 TYR CE2 C 13 118.4 0.2 . 1 . . . . . . . . 7274 1 326 . 1 1 29 29 TYR C C 13 179.514 0.2 . 1 . . . . . . . . 7274 1 327 . 1 1 29 29 TYR CA C 13 60.763 0.2 . 1 . . . . . . . . 7274 1 328 . 1 1 29 29 TYR CB C 13 36.784 0.2 . 1 . . . . . . . . 7274 1 329 . 1 1 29 29 TYR N N 15 117.887 0.2 . 1 . . . . . . . . 7274 1 330 . 1 1 30 30 SER H H 1 7.585 0.02 . 1 . . . . . . . . 7274 1 331 . 1 1 30 30 SER HA H 1 4.106 0.02 . 1 . . . . . . . . 7274 1 332 . 1 1 30 30 SER HB2 H 1 3.888 0.02 . 2 . . . . . . . . 7274 1 333 . 1 1 30 30 SER HB3 H 1 3.821 0.02 . 2 . . . . . . . . 7274 1 334 . 1 1 30 30 SER C C 13 176.988 0.2 . 1 . . . . . . . . 7274 1 335 . 1 1 30 30 SER CA C 13 61.884 0.2 . 1 . . . . . . . . 7274 1 336 . 1 1 30 30 SER CB C 13 62.837 0.2 . 1 . . . . . . . . 7274 1 337 . 1 1 30 30 SER N N 15 115.380 0.2 . 1 . . . . . . . . 7274 1 338 . 1 1 31 31 GLU H H 1 8.215 0.02 . 1 . . . . . . . . 7274 1 339 . 1 1 31 31 GLU HA H 1 3.870 0.02 . 1 . . . . . . . . 7274 1 340 . 1 1 31 31 GLU HB2 H 1 1.378 0.02 . 2 . . . . . . . . 7274 1 341 . 1 1 31 31 GLU HB3 H 1 1.213 0.02 . 2 . . . . . . . . 7274 1 342 . 1 1 31 31 GLU HG2 H 1 1.236 0.02 . 2 . . . . . . . . 7274 1 343 . 1 1 31 31 GLU HG3 H 1 1.433 0.02 . 2 . . . . . . . . 7274 1 344 . 1 1 31 31 GLU CG C 13 34.48 0.2 . 1 . . . . . . . . 7274 1 345 . 1 1 31 31 GLU C C 13 180.421 0.2 . 1 . . . . . . . . 7274 1 346 . 1 1 31 31 GLU CA C 13 58.314 0.2 . 1 . . . . . . . . 7274 1 347 . 1 1 31 31 GLU CB C 13 28.756 0.2 . 1 . . . . . . . . 7274 1 348 . 1 1 31 31 GLU N N 15 123.629 0.2 . 1 . . . . . . . . 7274 1 349 . 1 1 32 32 LEU H H 1 8.387 0.02 . 1 . . . . . . . . 7274 1 350 . 1 1 32 32 LEU HA H 1 3.890 0.02 . 1 . . . . . . . . 7274 1 351 . 1 1 32 32 LEU HB2 H 1 1.869 0.02 . 2 . . . . . . . . 7274 1 352 . 1 1 32 32 LEU HB3 H 1 0.981 0.02 . 2 . . . . . . . . 7274 1 353 . 1 1 32 32 LEU HG H 1 1.222 0.02 . 1 . . . . . . . . 7274 1 354 . 1 1 32 32 LEU HD11 H 1 0.352 0.02 . 1 . . . . . . . . 7274 1 355 . 1 1 32 32 LEU HD12 H 1 0.352 0.02 . 1 . . . . . . . . 7274 1 356 . 1 1 32 32 LEU HD13 H 1 0.352 0.02 . 1 . . . . . . . . 7274 1 357 . 1 1 32 32 LEU HD21 H 1 0.622 0.02 . 1 . . . . . . . . 7274 1 358 . 1 1 32 32 LEU HD22 H 1 0.622 0.02 . 1 . . . . . . . . 7274 1 359 . 1 1 32 32 LEU HD23 H 1 0.622 0.02 . 1 . . . . . . . . 7274 1 360 . 1 1 32 32 LEU C C 13 179.564 0.2 . 1 . . . . . . . . 7274 1 361 . 1 1 32 32 LEU CA C 13 58.337 0.2 . 1 . . . . . . . . 7274 1 362 . 1 1 32 32 LEU CB C 13 40.296 0.2 . 1 . . . . . . . . 7274 1 363 . 1 1 32 32 LEU CG C 13 25.368 0.2 . 1 . . . . . . . . 7274 1 364 . 1 1 32 32 LEU CD1 C 13 28.060 0.2 . 1 . . . . . . . . 7274 1 365 . 1 1 32 32 LEU CD2 C 13 22.167 0.2 . 1 . . . . . . . . 7274 1 366 . 1 1 32 32 LEU N N 15 119.659 0.2 . 1 . . . . . . . . 7274 1 367 . 1 1 33 33 LYS H H 1 7.931 0.02 . 1 . . . . . . . . 7274 1 368 . 1 1 33 33 LYS HA H 1 4.047 0.02 . 1 . . . . . . . . 7274 1 369 . 1 1 33 33 LYS HB2 H 1 1.986 0.02 . 2 . . . . . . . . 7274 1 370 . 1 1 33 33 LYS HB3 H 1 1.819 0.02 . 2 . . . . . . . . 7274 1 371 . 1 1 33 33 LYS C C 13 180.726 0.2 . 1 . . . . . . . . 7274 1 372 . 1 1 33 33 LYS CA C 13 60.135 0.2 . 1 . . . . . . . . 7274 1 373 . 1 1 33 33 LYS CB C 13 32.242 0.2 . 1 . . . . . . . . 7274 1 374 . 1 1 33 33 LYS CG C 13 25.184 0.2 . 1 . . . . . . . . 7274 1 375 . 1 1 33 33 LYS CD C 13 29.603 0.2 . 1 . . . . . . . . 7274 1 376 . 1 1 33 33 LYS CE C 13 44.389 0.2 . 1 . . . . . . . . 7274 1 377 . 1 1 33 33 LYS N N 15 120.615 0.2 . 1 . . . . . . . . 7274 1 378 . 1 1 34 34 ARG H H 1 8.025 0.02 . 1 . . . . . . . . 7274 1 379 . 1 1 34 34 ARG HA H 1 4.003 0.02 . 1 . . . . . . . . 7274 1 380 . 1 1 34 34 ARG HB2 H 1 1.753 0.02 . 2 . . . . . . . . 7274 1 381 . 1 1 34 34 ARG HB3 H 1 1.637 0.02 . 2 . . . . . . . . 7274 1 382 . 1 1 34 34 ARG HG2 H 1 1.374 0.02 . 2 . . . . . . . . 7274 1 383 . 1 1 34 34 ARG HG3 H 1 1.507 0.02 . 2 . . . . . . . . 7274 1 384 . 1 1 34 34 ARG HD2 H 1 2.984 0.02 . 2 . . . . . . . . 7274 1 385 . 1 1 34 34 ARG HD3 H 1 2.983 0.02 . 2 . . . . . . . . 7274 1 386 . 1 1 34 34 ARG HE H 1 7.295 0.02 . 1 . . . . . . . . 7274 1 387 . 1 1 34 34 ARG C C 13 177.161 0.2 . 1 . . . . . . . . 7274 1 388 . 1 1 34 34 ARG CA C 13 58.796 0.2 . 1 . . . . . . . . 7274 1 389 . 1 1 34 34 ARG CB C 13 30.326 0.2 . 1 . . . . . . . . 7274 1 390 . 1 1 34 34 ARG CG C 13 27.946 0.2 . 1 . . . . . . . . 7274 1 391 . 1 1 34 34 ARG CD C 13 43.289 0.2 . 1 . . . . . . . . 7274 1 392 . 1 1 34 34 ARG N N 15 120.314 0.2 . 1 . . . . . . . . 7274 1 393 . 1 1 34 34 ARG NE N 15 83.532 0.2 . 1 . . . . . . . . 7274 1 394 . 1 1 35 35 HIS H H 1 7.452 0.02 . 1 . . . . . . . . 7274 1 395 . 1 1 35 35 HIS HA H 1 4.564 0.02 . 1 . . . . . . . . 7274 1 396 . 1 1 35 35 HIS HB2 H 1 3.757 0.02 . 2 . . . . . . . . 7274 1 397 . 1 1 35 35 HIS HB3 H 1 2.788 0.02 . 2 . . . . . . . . 7274 1 398 . 1 1 35 35 HIS HD2 H 1 7.354 0.02 . 1 . . . . . . . . 7274 1 399 . 1 1 35 35 HIS CD2 C 13 120.9 0.2 . 1 . . . . . . . . 7274 1 400 . 1 1 35 35 HIS HE1 H 1 8.584 0.02 . 1 . . . . . . . . 7274 1 401 . 1 1 35 35 HIS CE1 C 13 136.6 0.2 . 1 . . . . . . . . 7274 1 402 . 1 1 35 35 HIS C C 13 173.102 0.2 . 1 . . . . . . . . 7274 1 403 . 1 1 35 35 HIS CA C 13 56.069 0.2 . 1 . . . . . . . . 7274 1 404 . 1 1 35 35 HIS CB C 13 27.993 0.2 . 1 . . . . . . . . 7274 1 405 . 1 1 35 35 HIS N N 15 113.753 0.2 . 1 . . . . . . . . 7274 1 406 . 1 1 36 36 ASN H H 1 7.931 0.02 . 1 . . . . . . . . 7274 1 407 . 1 1 36 36 ASN HA H 1 4.474 0.02 . 1 . . . . . . . . 7274 1 408 . 1 1 36 36 ASN HB2 H 1 3.198 0.02 . 2 . . . . . . . . 7274 1 409 . 1 1 36 36 ASN HB3 H 1 2.971 0.02 . 2 . . . . . . . . 7274 1 410 . 1 1 36 36 ASN HD21 H 1 7.524 0.02 . 1 . . . . . . . . 7274 1 411 . 1 1 36 36 ASN HD22 H 1 6.936 0.02 . 1 . . . . . . . . 7274 1 412 . 1 1 36 36 ASN C C 13 173.960 0.2 . 1 . . . . . . . . 7274 1 413 . 1 1 36 36 ASN CA C 13 54.508 0.2 . 1 . . . . . . . . 7274 1 414 . 1 1 36 36 ASN CB C 13 37.094 0.2 . 1 . . . . . . . . 7274 1 415 . 1 1 36 36 ASN N N 15 112.629 0.2 . 1 . . . . . . . . 7274 1 416 . 1 1 36 36 ASN ND2 N 15 112.761 0.2 . 1 . . . . . . . . 7274 1 417 . 1 1 37 37 VAL H H 1 7.758 0.02 . 1 . . . . . . . . 7274 1 418 . 1 1 37 37 VAL HA H 1 3.779 0.02 . 1 . . . . . . . . 7274 1 419 . 1 1 37 37 VAL HB H 1 1.723 0.02 . 1 . . . . . . . . 7274 1 420 . 1 1 37 37 VAL HG21 H 1 0.974 0.02 . 1 . . . . . . . . 7274 1 421 . 1 1 37 37 VAL HG22 H 1 0.974 0.02 . 1 . . . . . . . . 7274 1 422 . 1 1 37 37 VAL HG23 H 1 0.974 0.02 . 1 . . . . . . . . 7274 1 423 . 1 1 37 37 VAL HG11 H 1 0.818 0.02 . 1 . . . . . . . . 7274 1 424 . 1 1 37 37 VAL HG12 H 1 0.818 0.02 . 1 . . . . . . . . 7274 1 425 . 1 1 37 37 VAL HG13 H 1 0.818 0.02 . 1 . . . . . . . . 7274 1 426 . 1 1 37 37 VAL C C 13 175.769 0.2 . 1 . . . . . . . . 7274 1 427 . 1 1 37 37 VAL CA C 13 64.282 0.2 . 1 . . . . . . . . 7274 1 428 . 1 1 37 37 VAL CB C 13 32.616 0.2 . 1 . . . . . . . . 7274 1 429 . 1 1 37 37 VAL CG2 C 13 24.612 0.2 . 1 . . . . . . . . 7274 1 430 . 1 1 37 37 VAL CG1 C 13 21.37 0.2 . 1 . . . . . . . . 7274 1 431 . 1 1 37 37 VAL N N 15 117.184 0.2 . 1 . . . . . . . . 7274 1 432 . 1 1 38 38 SER H H 1 9.260 0.02 . 1 . . . . . . . . 7274 1 433 . 1 1 38 38 SER HA H 1 4.652 0.02 . 1 . . . . . . . . 7274 1 434 . 1 1 38 38 SER HB2 H 1 3.711 0.02 . 2 . . . . . . . . 7274 1 435 . 1 1 38 38 SER HB3 H 1 3.668 0.02 . 2 . . . . . . . . 7274 1 436 . 1 1 38 38 SER C C 13 175.342 0.2 . 1 . . . . . . . . 7274 1 437 . 1 1 38 38 SER CA C 13 58.743 0.2 . 1 . . . . . . . . 7274 1 438 . 1 1 38 38 SER CB C 13 63.177 0.2 . 1 . . . . . . . . 7274 1 439 . 1 1 38 38 SER N N 15 120.976 0.2 . 1 . . . . . . . . 7274 1 440 . 1 1 39 39 HIS H H 1 8.163 0.02 . 1 . . . . . . . . 7274 1 441 . 1 1 39 39 HIS HA H 1 5.434 0.02 . 1 . . . . . . . . 7274 1 442 . 1 1 39 39 HIS HB2 H 1 3.515 0.02 . 2 . . . . . . . . 7274 1 443 . 1 1 39 39 HIS HB3 H 1 3.030 0.02 . 2 . . . . . . . . 7274 1 444 . 1 1 39 39 HIS C C 13 171.417 0.2 . 1 . . . . . . . . 7274 1 445 . 1 1 39 39 HIS CA C 13 54.974 0.2 . 1 . . . . . . . . 7274 1 446 . 1 1 39 39 HIS CB C 13 31.205 0.2 . 1 . . . . . . . . 7274 1 447 . 1 1 39 39 HIS N N 15 113.621 0.2 . 1 . . . . . . . . 7274 1 448 . 1 1 39 39 HIS HD2 H 1 6.567 0.02 . 1 . . . . . . . . 7274 1 449 . 1 1 39 39 HIS HE1 H 1 8.429 0.02 . 1 . . . . . . . . 7274 1 450 . 1 1 39 39 HIS CD2 C 13 118.9 0.2 . 1 . . . . . . . . 7274 1 451 . 1 1 39 39 HIS CE1 C 13 138.8 0.2 . 1 . . . . . . . . 7274 1 452 . 1 1 40 40 TYR H H 1 8.531 0.02 . 1 . . . . . . . . 7274 1 453 . 1 1 40 40 TYR HA H 1 5.699 0.02 . 1 . . . . . . . . 7274 1 454 . 1 1 40 40 TYR HB2 H 1 3.069 0.02 . 2 . . . . . . . . 7274 1 455 . 1 1 40 40 TYR HB3 H 1 2.784 0.02 . 2 . . . . . . . . 7274 1 456 . 1 1 40 40 TYR C C 13 171.539 0.2 . 1 . . . . . . . . 7274 1 457 . 1 1 40 40 TYR CA C 13 55.983 0.2 . 1 . . . . . . . . 7274 1 458 . 1 1 40 40 TYR CB C 13 43.155 0.2 . 1 . . . . . . . . 7274 1 459 . 1 1 40 40 TYR N N 15 113.153 0.2 . 1 . . . . . . . . 7274 1 460 . 1 1 40 40 TYR HD1 H 1 6.793 0.02 . 1 . . . . . . . . 7274 1 461 . 1 1 40 40 TYR HD2 H 1 6.793 0.02 . 1 . . . . . . . . 7274 1 462 . 1 1 40 40 TYR HE1 H 1 6.315 0.02 . 1 . . . . . . . . 7274 1 463 . 1 1 40 40 TYR HE2 H 1 6.315 0.02 . 1 . . . . . . . . 7274 1 464 . 1 1 40 40 TYR CD1 C 13 132.5 0.2 . 1 . . . . . . . . 7274 1 465 . 1 1 40 40 TYR CD2 C 13 132.5 0.2 . 1 . . . . . . . . 7274 1 466 . 1 1 40 40 TYR CE1 C 13 117.4 0.2 . 1 . . . . . . . . 7274 1 467 . 1 1 40 40 TYR CE2 C 13 117.4 0.2 . 1 . . . . . . . . 7274 1 468 . 1 1 41 41 ILE H H 1 9.142 0.02 . 1 . . . . . . . . 7274 1 469 . 1 1 41 41 ILE HA H 1 4.829 0.02 . 1 . . . . . . . . 7274 1 470 . 1 1 41 41 ILE HB H 1 1.625 0.02 . 1 . . . . . . . . 7274 1 471 . 1 1 41 41 ILE HG12 H 1 1.578 0.02 . 2 . . . . . . . . 7274 1 472 . 1 1 41 41 ILE HG13 H 1 1.139 0.02 . 2 . . . . . . . . 7274 1 473 . 1 1 41 41 ILE HG21 H 1 0.251 0.02 . 1 . . . . . . . . 7274 1 474 . 1 1 41 41 ILE HG22 H 1 0.251 0.02 . 1 . . . . . . . . 7274 1 475 . 1 1 41 41 ILE HG23 H 1 0.251 0.02 . 1 . . . . . . . . 7274 1 476 . 1 1 41 41 ILE HD11 H 1 0.901 0.02 . 1 . . . . . . . . 7274 1 477 . 1 1 41 41 ILE HD12 H 1 0.901 0.02 . 1 . . . . . . . . 7274 1 478 . 1 1 41 41 ILE HD13 H 1 0.901 0.02 . 1 . . . . . . . . 7274 1 479 . 1 1 41 41 ILE C C 13 173.107 0.2 . 1 . . . . . . . . 7274 1 480 . 1 1 41 41 ILE CA C 13 60.513 0.2 . 1 . . . . . . . . 7274 1 481 . 1 1 41 41 ILE CB C 13 41.311 0.2 . 1 . . . . . . . . 7274 1 482 . 1 1 41 41 ILE CG1 C 13 28.624 0.2 . 1 . . . . . . . . 7274 1 483 . 1 1 41 41 ILE CG2 C 13 19.479 0.2 . 1 . . . . . . . . 7274 1 484 . 1 1 41 41 ILE CD1 C 13 15.330 0.2 . 1 . . . . . . . . 7274 1 485 . 1 1 41 41 ILE N N 15 120.729 0.2 . 1 . . . . . . . . 7274 1 486 . 1 1 42 42 TYR H H 1 9.319 0.02 . 1 . . . . . . . . 7274 1 487 . 1 1 42 42 TYR HA H 1 4.453 0.02 . 1 . . . . . . . . 7274 1 488 . 1 1 42 42 TYR HB2 H 1 2.040 0.02 . 2 . . . . . . . . 7274 1 489 . 1 1 42 42 TYR HB3 H 1 1.487 0.02 . 2 . . . . . . . . 7274 1 490 . 1 1 42 42 TYR C C 13 174.581 0.2 . 1 . . . . . . . . 7274 1 491 . 1 1 42 42 TYR CA C 13 55.997 0.2 . 1 . . . . . . . . 7274 1 492 . 1 1 42 42 TYR CB C 13 41.835 0.2 . 1 . . . . . . . . 7274 1 493 . 1 1 42 42 TYR N N 15 131.706 0.2 . 1 . . . . . . . . 7274 1 494 . 1 1 42 42 TYR HD1 H 1 6.220 0.02 . 1 . . . . . . . . 7274 1 495 . 1 1 42 42 TYR HD2 H 1 6.220 0.02 . 1 . . . . . . . . 7274 1 496 . 1 1 42 42 TYR HE1 H 1 6.512 0.02 . 1 . . . . . . . . 7274 1 497 . 1 1 42 42 TYR HE2 H 1 6.512 0.02 . 1 . . . . . . . . 7274 1 498 . 1 1 42 42 TYR CD1 C 13 133.5 0.2 . 1 . . . . . . . . 7274 1 499 . 1 1 42 42 TYR CD2 C 13 133.5 0.2 . 1 . . . . . . . . 7274 1 500 . 1 1 42 42 TYR CE1 C 13 116.6 0.2 . 1 . . . . . . . . 7274 1 501 . 1 1 42 42 TYR CE2 C 13 116.6 0.2 . 1 . . . . . . . . 7274 1 502 . 1 1 43 43 TYR H H 1 8.215 0.02 . 1 . . . . . . . . 7274 1 503 . 1 1 43 43 TYR HA H 1 4.044 0.02 . 1 . . . . . . . . 7274 1 504 . 1 1 43 43 TYR HB2 H 1 2.887 0.02 . 2 . . . . . . . . 7274 1 505 . 1 1 43 43 TYR HB3 H 1 2.703 0.02 . 2 . . . . . . . . 7274 1 506 . 1 1 43 43 TYR C C 13 175.715 0.2 . 1 . . . . . . . . 7274 1 507 . 1 1 43 43 TYR CA C 13 58.786 0.2 . 1 . . . . . . . . 7274 1 508 . 1 1 43 43 TYR CB C 13 37.086 0.2 . 1 . . . . . . . . 7274 1 509 . 1 1 43 43 TYR HD1 H 1 6.757 0.02 . 1 . . . . . . . . 7274 1 510 . 1 1 43 43 TYR HD2 H 1 6.757 0.02 . 1 . . . . . . . . 7274 1 511 . 1 1 43 43 TYR HE1 H 1 6.370 0.02 . 1 . . . . . . . . 7274 1 512 . 1 1 43 43 TYR HE2 H 1 6.370 0.02 . 1 . . . . . . . . 7274 1 513 . 1 1 43 43 TYR CD1 C 13 133.1 0.2 . 1 . . . . . . . . 7274 1 514 . 1 1 43 43 TYR CD2 C 13 133.1 0.2 . 1 . . . . . . . . 7274 1 515 . 1 1 43 43 TYR CE1 C 13 117.830 0.2 . 1 . . . . . . . . 7274 1 516 . 1 1 43 43 TYR CE2 C 13 117.830 0.2 . 1 . . . . . . . . 7274 1 517 . 1 1 43 43 TYR N N 15 126.539 0.2 . 1 . . . . . . . . 7274 1 518 . 1 1 44 44 LEU H H 1 7.570 0.02 . 1 . . . . . . . . 7274 1 519 . 1 1 44 44 LEU HA H 1 3.648 0.02 . 1 . . . . . . . . 7274 1 520 . 1 1 44 44 LEU HB2 H 1 1.601 0.02 . 2 . . . . . . . . 7274 1 521 . 1 1 44 44 LEU HB3 H 1 1.463 0.02 . 2 . . . . . . . . 7274 1 522 . 1 1 44 44 LEU HG H 1 1.602 0.02 . 1 . . . . . . . . 7274 1 523 . 1 1 44 44 LEU HD11 H 1 1.083 0.02 . 1 . . . . . . . . 7274 1 524 . 1 1 44 44 LEU HD12 H 1 1.083 0.02 . 1 . . . . . . . . 7274 1 525 . 1 1 44 44 LEU HD13 H 1 1.083 0.02 . 1 . . . . . . . . 7274 1 526 . 1 1 44 44 LEU HD21 H 1 0.958 0.02 . 1 . . . . . . . . 7274 1 527 . 1 1 44 44 LEU HD22 H 1 0.958 0.02 . 1 . . . . . . . . 7274 1 528 . 1 1 44 44 LEU HD23 H 1 0.958 0.02 . 1 . . . . . . . . 7274 1 529 . 1 1 44 44 LEU C C 13 178.782 0.2 . 1 . . . . . . . . 7274 1 530 . 1 1 44 44 LEU CA C 13 61.260 0.2 . 1 . . . . . . . . 7274 1 531 . 1 1 44 44 LEU CB C 13 42.777 0.2 . 1 . . . . . . . . 7274 1 532 . 1 1 44 44 LEU CG C 13 30.560 0.2 . 1 . . . . . . . . 7274 1 533 . 1 1 44 44 LEU CD1 C 13 26.788 0.2 . 1 . . . . . . . . 7274 1 534 . 1 1 44 44 LEU CD2 C 13 25.980 0.2 . 1 . . . . . . . . 7274 1 535 . 1 1 44 44 LEU N N 15 126.182 0.2 . 1 . . . . . . . . 7274 1 536 . 1 1 45 45 ALA H H 1 9.686 0.02 . 1 . . . . . . . . 7274 1 537 . 1 1 45 45 ALA HA H 1 4.167 0.02 . 1 . . . . . . . . 7274 1 538 . 1 1 45 45 ALA HB1 H 1 1.526 0.02 . 1 . . . . . . . . 7274 1 539 . 1 1 45 45 ALA HB2 H 1 1.526 0.02 . 1 . . . . . . . . 7274 1 540 . 1 1 45 45 ALA HB3 H 1 1.526 0.02 . 1 . . . . . . . . 7274 1 541 . 1 1 45 45 ALA C C 13 178.552 0.2 . 1 . . . . . . . . 7274 1 542 . 1 1 45 45 ALA CA C 13 56.300 0.2 . 1 . . . . . . . . 7274 1 543 . 1 1 45 45 ALA CB C 13 18.988 0.2 . 1 . . . . . . . . 7274 1 544 . 1 1 45 45 ALA N N 15 120.961 0.2 . 1 . . . . . . . . 7274 1 545 . 1 1 46 46 THR H H 1 6.710 0.02 . 1 . . . . . . . . 7274 1 546 . 1 1 46 46 THR HA H 1 4.075 0.02 . 1 . . . . . . . . 7274 1 547 . 1 1 46 46 THR HB H 1 4.016 0.02 . 1 . . . . . . . . 7274 1 548 . 1 1 46 46 THR HG21 H 1 1.114 0.02 . 1 . . . . . . . . 7274 1 549 . 1 1 46 46 THR HG22 H 1 1.114 0.02 . 1 . . . . . . . . 7274 1 550 . 1 1 46 46 THR HG23 H 1 1.114 0.02 . 1 . . . . . . . . 7274 1 551 . 1 1 46 46 THR C C 13 176.147 0.2 . 1 . . . . . . . . 7274 1 552 . 1 1 46 46 THR CA C 13 60.634 0.2 . 1 . . . . . . . . 7274 1 553 . 1 1 46 46 THR CB C 13 71.059 0.2 . 1 . . . . . . . . 7274 1 554 . 1 1 46 46 THR CG2 C 13 21.969 0.2 . 1 . . . . . . . . 7274 1 555 . 1 1 46 46 THR HG1 H 1 5.225 0.02 . 1 . . . . . . . . 7274 1 556 . 1 1 46 46 THR N N 15 99.826 0.2 . 1 . . . . . . . . 7274 1 557 . 1 1 47 47 GLU H H 1 8.111 0.02 . 1 . . . . . . . . 7274 1 558 . 1 1 47 47 GLU HA H 1 3.469 0.02 . 1 . . . . . . . . 7274 1 559 . 1 1 47 47 GLU HB2 H 1 2.410 0.02 . 2 . . . . . . . . 7274 1 560 . 1 1 47 47 GLU HB3 H 1 2.080 0.02 . 2 . . . . . . . . 7274 1 561 . 1 1 47 47 GLU HG2 H 1 2.22 0.02 . 2 . . . . . . . . 7274 1 562 . 1 1 47 47 GLU HG3 H 1 2.13 0.02 . 2 . . . . . . . . 7274 1 563 . 1 1 47 47 GLU C C 13 174.286 0.2 . 1 . . . . . . . . 7274 1 564 . 1 1 47 47 GLU CA C 13 58.492 0.2 . 1 . . . . . . . . 7274 1 565 . 1 1 47 47 GLU CB C 13 27.463 0.2 . 1 . . . . . . . . 7274 1 566 . 1 1 47 47 GLU CG C 13 38.909 0.2 . 1 . . . . . . . . 7274 1 567 . 1 1 47 47 GLU N N 15 114.270 0.2 . 1 . . . . . . . . 7274 1 568 . 1 1 48 48 ASN H H 1 7.402 0.02 . 1 . . . . . . . . 7274 1 569 . 1 1 48 48 ASN HA H 1 4.803 0.02 . 1 . . . . . . . . 7274 1 570 . 1 1 48 48 ASN HB2 H 1 2.583 0.02 . 2 . . . . . . . . 7274 1 571 . 1 1 48 48 ASN HB3 H 1 2.455 0.02 . 2 . . . . . . . . 7274 1 572 . 1 1 48 48 ASN HD21 H 1 7.128 0.02 . 1 . . . . . . . . 7274 1 573 . 1 1 48 48 ASN HD22 H 1 6.841 0.02 . 1 . . . . . . . . 7274 1 574 . 1 1 48 48 ASN C C 13 174.821 0.2 . 1 . . . . . . . . 7274 1 575 . 1 1 48 48 ASN CA C 13 52.739 0.2 . 1 . . . . . . . . 7274 1 576 . 1 1 48 48 ASN CB C 13 37.814 0.2 . 1 . . . . . . . . 7274 1 577 . 1 1 48 48 ASN N N 15 116.241 0.2 . 1 . . . . . . . . 7274 1 578 . 1 1 48 48 ASN ND2 N 15 109.947 0.2 . 1 . . . . . . . . 7274 1 579 . 1 1 49 49 VAL H H 1 8.572 0.02 . 1 . . . . . . . . 7274 1 580 . 1 1 49 49 VAL HA H 1 4.981 0.02 . 1 . . . . . . . . 7274 1 581 . 1 1 49 49 VAL HB H 1 1.311 0.02 . 1 . . . . . . . . 7274 1 582 . 1 1 49 49 VAL HG11 H 1 0.392 0.02 . 1 . . . . . . . . 7274 1 583 . 1 1 49 49 VAL HG12 H 1 0.392 0.02 . 1 . . . . . . . . 7274 1 584 . 1 1 49 49 VAL HG13 H 1 0.392 0.02 . 1 . . . . . . . . 7274 1 585 . 1 1 49 49 VAL HG21 H 1 0.159 0.02 . 1 . . . . . . . . 7274 1 586 . 1 1 49 49 VAL HG22 H 1 0.159 0.02 . 1 . . . . . . . . 7274 1 587 . 1 1 49 49 VAL HG23 H 1 0.159 0.02 . 1 . . . . . . . . 7274 1 588 . 1 1 49 49 VAL C C 13 175.580 0.2 . 1 . . . . . . . . 7274 1 589 . 1 1 49 49 VAL CA C 13 60.214 0.2 . 1 . . . . . . . . 7274 1 590 . 1 1 49 49 VAL CB C 13 34.716 0.2 . 1 . . . . . . . . 7274 1 591 . 1 1 49 49 VAL CG1 C 13 22.494 0.2 . 1 . . . . . . . . 7274 1 592 . 1 1 49 49 VAL CG2 C 13 20.870 0.2 . 1 . . . . . . . . 7274 1 593 . 1 1 49 49 VAL N N 15 119.907 0.2 . 1 . . . . . . . . 7274 1 594 . 1 1 50 50 HIS H H 1 9.400 0.02 . 1 . . . . . . . . 7274 1 595 . 1 1 50 50 HIS HA H 1 5.101 0.02 . 1 . . . . . . . . 7274 1 596 . 1 1 50 50 HIS HB2 H 1 3.242 0.02 . 2 . . . . . . . . 7274 1 597 . 1 1 50 50 HIS HB3 H 1 3.183 0.02 . 2 . . . . . . . . 7274 1 598 . 1 1 50 50 HIS C C 13 173.563 0.2 . 1 . . . . . . . . 7274 1 599 . 1 1 50 50 HIS CA C 13 53.383 0.2 . 1 . . . . . . . . 7274 1 600 . 1 1 50 50 HIS CB C 13 30.520 0.2 . 1 . . . . . . . . 7274 1 601 . 1 1 50 50 HIS N N 15 126.451 0.2 . 1 . . . . . . . . 7274 1 602 . 1 1 50 50 HIS HD2 H 1 6.807 0.02 . 1 . . . . . . . . 7274 1 603 . 1 1 50 50 HIS HE1 H 1 8.468 0.02 . 1 . . . . . . . . 7274 1 604 . 1 1 50 50 HIS CD2 C 13 118.0 0.2 . 1 . . . . . . . . 7274 1 605 . 1 1 50 50 HIS CE1 C 13 137.3 0.2 . 1 . . . . . . . . 7274 1 606 . 1 1 51 51 ILE H H 1 9.325 0.02 . 1 . . . . . . . . 7274 1 607 . 1 1 51 51 ILE HA H 1 4.088 0.02 . 1 . . . . . . . . 7274 1 608 . 1 1 51 51 ILE HB H 1 1.611 0.02 . 1 . . . . . . . . 7274 1 609 . 1 1 51 51 ILE HG12 H 1 1.294 0.02 . 2 . . . . . . . . 7274 1 610 . 1 1 51 51 ILE HG13 H 1 0.403 0.02 . 2 . . . . . . . . 7274 1 611 . 1 1 51 51 ILE HG21 H 1 0.257 0.02 . 1 . . . . . . . . 7274 1 612 . 1 1 51 51 ILE HG22 H 1 0.257 0.02 . 1 . . . . . . . . 7274 1 613 . 1 1 51 51 ILE HG23 H 1 0.257 0.02 . 1 . . . . . . . . 7274 1 614 . 1 1 51 51 ILE HD11 H 1 0.167 0.02 . 1 . . . . . . . . 7274 1 615 . 1 1 51 51 ILE HD12 H 1 0.167 0.02 . 1 . . . . . . . . 7274 1 616 . 1 1 51 51 ILE HD13 H 1 0.167 0.02 . 1 . . . . . . . . 7274 1 617 . 1 1 51 51 ILE C C 13 173.608 0.2 . 1 . . . . . . . . 7274 1 618 . 1 1 51 51 ILE CA C 13 61.822 0.2 . 1 . . . . . . . . 7274 1 619 . 1 1 51 51 ILE CB C 13 39.092 0.2 . 1 . . . . . . . . 7274 1 620 . 1 1 51 51 ILE CG1 C 13 28.631 0.2 . 1 . . . . . . . . 7274 1 621 . 1 1 51 51 ILE CG2 C 13 18.652 0.2 . 1 . . . . . . . . 7274 1 622 . 1 1 51 51 ILE CD1 C 13 14.798 0.2 . 1 . . . . . . . . 7274 1 623 . 1 1 51 51 ILE N N 15 127.908 0.2 . 1 . . . . . . . . 7274 1 624 . 1 1 52 52 VAL H H 1 8.764 0.02 . 1 . . . . . . . . 7274 1 625 . 1 1 52 52 VAL HA H 1 4.432 0.02 . 1 . . . . . . . . 7274 1 626 . 1 1 52 52 VAL HB H 1 0.782 0.02 . 1 . . . . . . . . 7274 1 627 . 1 1 52 52 VAL HG11 H 1 0.886 0.02 . 1 . . . . . . . . 7274 1 628 . 1 1 52 52 VAL HG12 H 1 0.886 0.02 . 1 . . . . . . . . 7274 1 629 . 1 1 52 52 VAL HG13 H 1 0.886 0.02 . 1 . . . . . . . . 7274 1 630 . 1 1 52 52 VAL HG21 H 1 0.582 0.02 . 1 . . . . . . . . 7274 1 631 . 1 1 52 52 VAL HG22 H 1 0.582 0.02 . 1 . . . . . . . . 7274 1 632 . 1 1 52 52 VAL HG23 H 1 0.582 0.02 . 1 . . . . . . . . 7274 1 633 . 1 1 52 52 VAL C C 13 175.900 0.2 . 1 . . . . . . . . 7274 1 634 . 1 1 52 52 VAL CA C 13 61.826 0.2 . 1 . . . . . . . . 7274 1 635 . 1 1 52 52 VAL CB C 13 32.102 0.2 . 1 . . . . . . . . 7274 1 636 . 1 1 52 52 VAL CG1 C 13 20.906 0.2 . 1 . . . . . . . . 7274 1 637 . 1 1 52 52 VAL CG2 C 13 20.733 0.2 . 1 . . . . . . . . 7274 1 638 . 1 1 52 52 VAL N N 15 127.336 0.2 . 1 . . . . . . . . 7274 1 639 . 1 1 53 53 LEU H H 1 8.813 0.02 . 1 . . . . . . . . 7274 1 640 . 1 1 53 53 LEU HA H 1 4.878 0.02 . 1 . . . . . . . . 7274 1 641 . 1 1 53 53 LEU HB2 H 1 2.099 0.02 . 2 . . . . . . . . 7274 1 642 . 1 1 53 53 LEU HB3 H 1 1.693 0.02 . 2 . . . . . . . . 7274 1 643 . 1 1 53 53 LEU HG H 1 1.543 0.02 . 1 . . . . . . . . 7274 1 644 . 1 1 53 53 LEU HD11 H 1 0.942 0.02 . 1 . . . . . . . . 7274 1 645 . 1 1 53 53 LEU HD12 H 1 0.942 0.02 . 1 . . . . . . . . 7274 1 646 . 1 1 53 53 LEU HD13 H 1 0.942 0.02 . 1 . . . . . . . . 7274 1 647 . 1 1 53 53 LEU HD21 H 1 0.784 0.02 . 1 . . . . . . . . 7274 1 648 . 1 1 53 53 LEU HD22 H 1 0.784 0.02 . 1 . . . . . . . . 7274 1 649 . 1 1 53 53 LEU HD23 H 1 0.784 0.02 . 1 . . . . . . . . 7274 1 650 . 1 1 53 53 LEU C C 13 179.213 0.2 . 1 . . . . . . . . 7274 1 651 . 1 1 53 53 LEU CA C 13 54.264 0.2 . 1 . . . . . . . . 7274 1 652 . 1 1 53 53 LEU CB C 13 41.868 0.2 . 1 . . . . . . . . 7274 1 653 . 1 1 53 53 LEU CG C 13 27.710 0.2 . 1 . . . . . . . . 7274 1 654 . 1 1 53 53 LEU CD1 C 13 25.511 0.2 . 1 . . . . . . . . 7274 1 655 . 1 1 53 53 LEU CD2 C 13 23.878 0.2 . 1 . . . . . . . . 7274 1 656 . 1 1 53 53 LEU N N 15 127.461 0.2 . 1 . . . . . . . . 7274 1 657 . 1 1 54 54 LYS H H 1 8.653 0.02 . 1 . . . . . . . . 7274 1 658 . 1 1 54 54 LYS HA H 1 3.969 0.02 . 1 . . . . . . . . 7274 1 659 . 1 1 54 54 LYS HB2 H 1 1.845 0.02 . 2 . . . . . . . . 7274 1 660 . 1 1 54 54 LYS HB3 H 1 1.744 0.02 . 2 . . . . . . . . 7274 1 661 . 1 1 54 54 LYS HG2 H 1 1.35 0.02 . 1 . . . . . . . . 7274 1 662 . 1 1 54 54 LYS HG3 H 1 1.35 0.02 . 1 . . . . . . . . 7274 1 663 . 1 1 54 54 LYS C C 13 176.288 0.2 . 1 . . . . . . . . 7274 1 664 . 1 1 54 54 LYS CA C 13 59.486 0.2 . 1 . . . . . . . . 7274 1 665 . 1 1 54 54 LYS CB C 13 32.167 0.2 . 1 . . . . . . . . 7274 1 666 . 1 1 54 54 LYS CG C 13 25.633 0.2 . 1 . . . . . . . . 7274 1 667 . 1 1 54 54 LYS CD C 13 29.285 0.2 . 1 . . . . . . . . 7274 1 668 . 1 1 54 54 LYS CE C 13 41.810 0.2 . 1 . . . . . . . . 7274 1 669 . 1 1 54 54 LYS N N 15 121.200 0.2 . 1 . . . . . . . . 7274 1 670 . 1 1 55 55 ASN H H 1 7.782 0.02 . 1 . . . . . . . . 7274 1 671 . 1 1 55 55 ASN HA H 1 4.512 0.02 . 1 . . . . . . . . 7274 1 672 . 1 1 55 55 ASN HB2 H 1 3.174 0.02 . 2 . . . . . . . . 7274 1 673 . 1 1 55 55 ASN HB3 H 1 2.710 0.02 . 2 . . . . . . . . 7274 1 674 . 1 1 55 55 ASN ND2 N 15 108.5 0.2 . 1 . . . . . . . . 7274 1 675 . 1 1 55 55 ASN HD21 H 1 7.420 0.02 . 1 . . . . . . . . 7274 1 676 . 1 1 55 55 ASN HD22 H 1 6.595 0.02 . 1 . . . . . . . . 7274 1 677 . 1 1 55 55 ASN C C 13 175.390 0.2 . 1 . . . . . . . . 7274 1 678 . 1 1 55 55 ASN CA C 13 52.504 0.2 . 1 . . . . . . . . 7274 1 679 . 1 1 55 55 ASN CB C 13 37.043 0.2 . 1 . . . . . . . . 7274 1 680 . 1 1 55 55 ASN N N 15 114.961 0.2 . 1 . . . . . . . . 7274 1 681 . 1 1 56 56 ASP H H 1 8.109 0.02 . 1 . . . . . . . . 7274 1 682 . 1 1 56 56 ASP HA H 1 4.192 0.02 . 1 . . . . . . . . 7274 1 683 . 1 1 56 56 ASP HB2 H 1 3.050 0.02 . 2 . . . . . . . . 7274 1 684 . 1 1 56 56 ASP HB3 H 1 2.905 0.02 . 2 . . . . . . . . 7274 1 685 . 1 1 56 56 ASP C C 13 175.538 0.2 . 1 . . . . . . . . 7274 1 686 . 1 1 56 56 ASP CA C 13 56.309 0.2 . 1 . . . . . . . . 7274 1 687 . 1 1 56 56 ASP CB C 13 38.595 0.2 . 1 . . . . . . . . 7274 1 688 . 1 1 56 56 ASP N N 15 112.003 0.2 . 1 . . . . . . . . 7274 1 689 . 1 1 57 57 ASN H H 1 7.925 0.02 . 1 . . . . . . . . 7274 1 690 . 1 1 57 57 ASN HA H 1 4.703 0.02 . 1 . . . . . . . . 7274 1 691 . 1 1 57 57 ASN HB2 H 1 2.897 0.02 . 2 . . . . . . . . 7274 1 692 . 1 1 57 57 ASN HB3 H 1 2.757 0.02 . 2 . . . . . . . . 7274 1 693 . 1 1 57 57 ASN C C 13 174.117 0.2 . 1 . . . . . . . . 7274 1 694 . 1 1 57 57 ASN CA C 13 53.489 0.2 . 1 . . . . . . . . 7274 1 695 . 1 1 57 57 ASN CB C 13 38.933 0.2 . 1 . . . . . . . . 7274 1 696 . 1 1 57 57 ASN N N 15 118.749 0.2 . 1 . . . . . . . . 7274 1 697 . 1 1 57 57 ASN HD21 H 1 7.169 0.02 . 1 . . . . . . . . 7274 1 698 . 1 1 57 57 ASN HD22 H 1 7.021 0.02 . 1 . . . . . . . . 7274 1 699 . 1 1 57 57 ASN ND2 N 15 111.127 0.2 . 1 . . . . . . . . 7274 1 700 . 1 1 58 58 THR H H 1 8.328 0.02 . 1 . . . . . . . . 7274 1 701 . 1 1 58 58 THR HA H 1 5.305 0.02 . 1 . . . . . . . . 7274 1 702 . 1 1 58 58 THR HB H 1 3.765 0.02 . 1 . . . . . . . . 7274 1 703 . 1 1 58 58 THR HG21 H 1 0.907 0.02 . 1 . . . . . . . . 7274 1 704 . 1 1 58 58 THR HG22 H 1 0.907 0.02 . 1 . . . . . . . . 7274 1 705 . 1 1 58 58 THR HG23 H 1 0.907 0.02 . 1 . . . . . . . . 7274 1 706 . 1 1 58 58 THR C C 13 174.329 0.2 . 1 . . . . . . . . 7274 1 707 . 1 1 58 58 THR CA C 13 60.694 0.2 . 1 . . . . . . . . 7274 1 708 . 1 1 58 58 THR CB C 13 71.557 0.2 . 1 . . . . . . . . 7274 1 709 . 1 1 58 58 THR CG2 C 13 21.471 0.2 . 1 . . . . . . . . 7274 1 710 . 1 1 58 58 THR N N 15 113.429 0.2 . 1 . . . . . . . . 7274 1 711 . 1 1 59 59 VAL H H 1 9.041 0.02 . 1 . . . . . . . . 7274 1 712 . 1 1 59 59 VAL HA H 1 4.036 0.02 . 1 . . . . . . . . 7274 1 713 . 1 1 59 59 VAL HB H 1 1.448 0.02 . 1 . . . . . . . . 7274 1 714 . 1 1 59 59 VAL HG11 H 1 0.766 0.02 . 1 . . . . . . . . 7274 1 715 . 1 1 59 59 VAL HG12 H 1 0.766 0.02 . 1 . . . . . . . . 7274 1 716 . 1 1 59 59 VAL HG13 H 1 0.766 0.02 . 1 . . . . . . . . 7274 1 717 . 1 1 59 59 VAL HG21 H 1 0.769 0.02 . 1 . . . . . . . . 7274 1 718 . 1 1 59 59 VAL HG22 H 1 0.769 0.02 . 1 . . . . . . . . 7274 1 719 . 1 1 59 59 VAL HG23 H 1 0.769 0.02 . 1 . . . . . . . . 7274 1 720 . 1 1 59 59 VAL C C 13 173.482 0.2 . 1 . . . . . . . . 7274 1 721 . 1 1 59 59 VAL CA C 13 61.392 0.2 . 1 . . . . . . . . 7274 1 722 . 1 1 59 59 VAL CB C 13 34.854 0.2 . 1 . . . . . . . . 7274 1 723 . 1 1 59 59 VAL CG1 C 13 21.142 0.2 . 1 . . . . . . . . 7274 1 724 . 1 1 59 59 VAL CG2 C 13 20.926 0.2 . 1 . . . . . . . . 7274 1 725 . 1 1 59 59 VAL N N 15 125.682 0.2 . 1 . . . . . . . . 7274 1 726 . 1 1 60 60 LEU H H 1 8.468 0.02 . 1 . . . . . . . . 7274 1 727 . 1 1 60 60 LEU HA H 1 4.990 0.02 . 1 . . . . . . . . 7274 1 728 . 1 1 60 60 LEU HB2 H 1 1.399 0.02 . 2 . . . . . . . . 7274 1 729 . 1 1 60 60 LEU HB3 H 1 1.397 0.02 . 2 . . . . . . . . 7274 1 730 . 1 1 60 60 LEU HG H 1 1.200 0.02 . 1 . . . . . . . . 7274 1 731 . 1 1 60 60 LEU HD11 H 1 0.578 0.02 . 1 . . . . . . . . 7274 1 732 . 1 1 60 60 LEU HD12 H 1 0.578 0.02 . 1 . . . . . . . . 7274 1 733 . 1 1 60 60 LEU HD13 H 1 0.578 0.02 . 1 . . . . . . . . 7274 1 734 . 1 1 60 60 LEU HD21 H 1 0.497 0.02 . 1 . . . . . . . . 7274 1 735 . 1 1 60 60 LEU HD22 H 1 0.497 0.02 . 1 . . . . . . . . 7274 1 736 . 1 1 60 60 LEU HD23 H 1 0.497 0.02 . 1 . . . . . . . . 7274 1 737 . 1 1 60 60 LEU C C 13 175.794 0.2 . 1 . . . . . . . . 7274 1 738 . 1 1 60 60 LEU CA C 13 53.302 0.2 . 1 . . . . . . . . 7274 1 739 . 1 1 60 60 LEU CB C 13 42.886 0.2 . 1 . . . . . . . . 7274 1 740 . 1 1 60 60 LEU CG C 13 27.301 0.2 . 1 . . . . . . . . 7274 1 741 . 1 1 60 60 LEU CD1 C 13 23.909 0.2 . 1 . . . . . . . . 7274 1 742 . 1 1 60 60 LEU CD2 C 13 24.252 0.2 . 1 . . . . . . . . 7274 1 743 . 1 1 60 60 LEU N N 15 128.810 0.2 . 1 . . . . . . . . 7274 1 744 . 1 1 61 61 LEU H H 1 8.840 0.02 . 1 . . . . . . . . 7274 1 745 . 1 1 61 61 LEU HA H 1 4.572 0.02 . 1 . . . . . . . . 7274 1 746 . 1 1 61 61 LEU HB2 H 1 1.365 0.02 . 2 . . . . . . . . 7274 1 747 . 1 1 61 61 LEU HB3 H 1 1.300 0.02 . 2 . . . . . . . . 7274 1 748 . 1 1 61 61 LEU HG H 1 1.211 0.02 . 1 . . . . . . . . 7274 1 749 . 1 1 61 61 LEU HD11 H 1 0.297 0.02 . 1 . . . . . . . . 7274 1 750 . 1 1 61 61 LEU HD12 H 1 0.297 0.02 . 1 . . . . . . . . 7274 1 751 . 1 1 61 61 LEU HD13 H 1 0.297 0.02 . 1 . . . . . . . . 7274 1 752 . 1 1 61 61 LEU HD21 H 1 0.698 0.02 . 1 . . . . . . . . 7274 1 753 . 1 1 61 61 LEU HD22 H 1 0.698 0.02 . 1 . . . . . . . . 7274 1 754 . 1 1 61 61 LEU HD23 H 1 0.698 0.02 . 1 . . . . . . . . 7274 1 755 . 1 1 61 61 LEU C C 13 176.347 0.2 . 1 . . . . . . . . 7274 1 756 . 1 1 61 61 LEU CA C 13 52.775 0.2 . 1 . . . . . . . . 7274 1 757 . 1 1 61 61 LEU CB C 13 41.728 0.2 . 1 . . . . . . . . 7274 1 758 . 1 1 61 61 LEU CG C 13 26.506 0.2 . 1 . . . . . . . . 7274 1 759 . 1 1 61 61 LEU CD1 C 13 25.207 0.2 . 1 . . . . . . . . 7274 1 760 . 1 1 61 61 LEU CD2 C 13 23.890 0.2 . 1 . . . . . . . . 7274 1 761 . 1 1 61 61 LEU N N 15 122.844 0.2 . 1 . . . . . . . . 7274 1 762 . 1 1 62 62 LYS H H 1 8.463 0.02 . 1 . . . . . . . . 7274 1 763 . 1 1 62 62 LYS HA H 1 4.298 0.02 . 1 . . . . . . . . 7274 1 764 . 1 1 62 62 LYS HB2 H 1 1.677 0.02 . 2 . . . . . . . . 7274 1 765 . 1 1 62 62 LYS HB3 H 1 1.614 0.02 . 2 . . . . . . . . 7274 1 766 . 1 1 62 62 LYS HG2 H 1 1.360 0.02 . 2 . . . . . . . . 7274 1 767 . 1 1 62 62 LYS HG3 H 1 1.244 0.02 . 2 . . . . . . . . 7274 1 768 . 1 1 62 62 LYS C C 13 177.321 0.2 . 1 . . . . . . . . 7274 1 769 . 1 1 62 62 LYS CA C 13 55.536 0.2 . 1 . . . . . . . . 7274 1 770 . 1 1 62 62 LYS CB C 13 33.327 0.2 . 1 . . . . . . . . 7274 1 771 . 1 1 62 62 LYS CG C 13 24.993 0.2 . 1 . . . . . . . . 7274 1 772 . 1 1 62 62 LYS CD C 13 29.146 0.2 . 1 . . . . . . . . 7274 1 773 . 1 1 62 62 LYS CE C 13 42.089 0.2 . 1 . . . . . . . . 7274 1 774 . 1 1 62 62 LYS N N 15 124.272 0.2 . 1 . . . . . . . . 7274 1 775 . 1 1 63 63 GLY H H 1 8.495 0.02 . 1 . . . . . . . . 7274 1 776 . 1 1 63 63 GLY HA2 H 1 3.979 0.02 . 2 . . . . . . . . 7274 1 777 . 1 1 63 63 GLY HA3 H 1 3.926 0.02 . 2 . . . . . . . . 7274 1 778 . 1 1 63 63 GLY C C 13 174.256 0.2 . 1 . . . . . . . . 7274 1 779 . 1 1 63 63 GLY CA C 13 45.178 0.2 . 1 . . . . . . . . 7274 1 780 . 1 1 63 63 GLY N N 15 111.645 0.2 . 1 . . . . . . . . 7274 1 781 . 1 1 64 64 LEU H H 1 8.251 0.02 . 1 . . . . . . . . 7274 1 782 . 1 1 64 64 LEU HA H 1 4.260 0.02 . 1 . . . . . . . . 7274 1 783 . 1 1 64 64 LEU HB2 H 1 1.643 0.02 . 2 . . . . . . . . 7274 1 784 . 1 1 64 64 LEU HB3 H 1 1.605 0.02 . 2 . . . . . . . . 7274 1 785 . 1 1 64 64 LEU HG H 1 1.541 0.02 . 1 . . . . . . . . 7274 1 786 . 1 1 64 64 LEU HD11 H 1 0.864 0.02 . 1 . . . . . . . . 7274 1 787 . 1 1 64 64 LEU HD12 H 1 0.864 0.02 . 1 . . . . . . . . 7274 1 788 . 1 1 64 64 LEU HD13 H 1 0.864 0.02 . 1 . . . . . . . . 7274 1 789 . 1 1 64 64 LEU HD21 H 1 0.791 0.02 . 1 . . . . . . . . 7274 1 790 . 1 1 64 64 LEU HD22 H 1 0.791 0.02 . 1 . . . . . . . . 7274 1 791 . 1 1 64 64 LEU HD23 H 1 0.791 0.02 . 1 . . . . . . . . 7274 1 792 . 1 1 64 64 LEU C C 13 176.893 0.2 . 1 . . . . . . . . 7274 1 793 . 1 1 64 64 LEU CA C 13 54.948 0.2 . 1 . . . . . . . . 7274 1 794 . 1 1 64 64 LEU CB C 13 41.875 0.2 . 1 . . . . . . . . 7274 1 795 . 1 1 64 64 LEU CG C 13 26.977 0.2 . 1 . . . . . . . . 7274 1 796 . 1 1 64 64 LEU CD1 C 13 25.255 0.2 . 1 . . . . . . . . 7274 1 797 . 1 1 64 64 LEU CD2 C 13 23.312 0.2 . 1 . . . . . . . . 7274 1 798 . 1 1 64 64 LEU N N 15 120.096 0.2 . 1 . . . . . . . . 7274 1 799 . 1 1 65 65 LYS H H 1 8.319 0.02 . 1 . . . . . . . . 7274 1 800 . 1 1 65 65 LYS HA H 1 4.177 0.02 . 1 . . . . . . . . 7274 1 801 . 1 1 65 65 LYS HB2 H 1 1.856 0.02 . 2 . . . . . . . . 7274 1 802 . 1 1 65 65 LYS HB3 H 1 1.781 0.02 . 2 . . . . . . . . 7274 1 803 . 1 1 65 65 LYS C C 13 175.960 0.2 . 1 . . . . . . . . 7274 1 804 . 1 1 65 65 LYS CA C 13 56.551 0.2 . 1 . . . . . . . . 7274 1 805 . 1 1 65 65 LYS CB C 13 31.902 0.2 . 1 . . . . . . . . 7274 1 806 . 1 1 65 65 LYS CG C 13 24.852 0.2 . 1 . . . . . . . . 7274 1 807 . 1 1 65 65 LYS CD C 13 28.864 0.2 . 1 . . . . . . . . 7274 1 808 . 1 1 65 65 LYS CE C 13 42.191 0.2 . 1 . . . . . . . . 7274 1 809 . 1 1 65 65 LYS N N 15 119.450 0.2 . 1 . . . . . . . . 7274 1 810 . 1 1 66 66 ASN H H 1 8.382 0.02 . 1 . . . . . . . . 7274 1 811 . 1 1 66 66 ASN HA H 1 4.736 0.02 . 1 . . . . . . . . 7274 1 812 . 1 1 66 66 ASN HB2 H 1 2.624 0.02 . 2 . . . . . . . . 7274 1 813 . 1 1 66 66 ASN HB3 H 1 2.784 0.02 . 2 . . . . . . . . 7274 1 814 . 1 1 66 66 ASN HD21 H 1 7.714 0.02 . 1 . . . . . . . . 7274 1 815 . 1 1 66 66 ASN HD22 H 1 6.815 0.02 . 1 . . . . . . . . 7274 1 816 . 1 1 66 66 ASN C C 13 174.689 0.2 . 1 . . . . . . . . 7274 1 817 . 1 1 66 66 ASN CA C 13 52.609 0.2 . 1 . . . . . . . . 7274 1 818 . 1 1 66 66 ASN CB C 13 38.478 0.2 . 1 . . . . . . . . 7274 1 819 . 1 1 66 66 ASN N N 15 120.038 0.2 . 1 . . . . . . . . 7274 1 820 . 1 1 66 66 ASN ND2 N 15 113.0 0.2 . 1 . . . . . . . . 7274 1 821 . 1 1 67 67 ILE H H 1 8.241 0.02 . 1 . . . . . . . . 7274 1 822 . 1 1 67 67 ILE HA H 1 4.397 0.02 . 1 . . . . . . . . 7274 1 823 . 1 1 67 67 ILE HB H 1 1.743 0.02 . 1 . . . . . . . . 7274 1 824 . 1 1 67 67 ILE HG12 H 1 1.388 0.02 . 2 . . . . . . . . 7274 1 825 . 1 1 67 67 ILE HG13 H 1 1.160 0.02 . 2 . . . . . . . . 7274 1 826 . 1 1 67 67 ILE HG21 H 1 0.748 0.02 . 1 . . . . . . . . 7274 1 827 . 1 1 67 67 ILE HG22 H 1 0.748 0.02 . 1 . . . . . . . . 7274 1 828 . 1 1 67 67 ILE HG23 H 1 0.748 0.02 . 1 . . . . . . . . 7274 1 829 . 1 1 67 67 ILE HD11 H 1 0.741 0.02 . 1 . . . . . . . . 7274 1 830 . 1 1 67 67 ILE HD12 H 1 0.741 0.02 . 1 . . . . . . . . 7274 1 831 . 1 1 67 67 ILE HD13 H 1 0.741 0.02 . 1 . . . . . . . . 7274 1 832 . 1 1 67 67 ILE C C 13 176.645 0.2 . 1 . . . . . . . . 7274 1 833 . 1 1 67 67 ILE CA C 13 60.849 0.2 . 1 . . . . . . . . 7274 1 834 . 1 1 67 67 ILE CB C 13 38.554 0.2 . 1 . . . . . . . . 7274 1 835 . 1 1 67 67 ILE CG1 C 13 27.718 0.2 . 1 . . . . . . . . 7274 1 836 . 1 1 67 67 ILE CG2 C 13 17.492 0.2 . 1 . . . . . . . . 7274 1 837 . 1 1 67 67 ILE CD1 C 13 12.391 0.2 . 1 . . . . . . . . 7274 1 838 . 1 1 67 67 ILE N N 15 122.807 0.2 . 1 . . . . . . . . 7274 1 839 . 1 1 68 68 VAL H H 1 7.952 0.02 . 1 . . . . . . . . 7274 1 840 . 1 1 68 68 VAL HA H 1 4.330 0.02 . 1 . . . . . . . . 7274 1 841 . 1 1 68 68 VAL HB H 1 1.879 0.02 . 1 . . . . . . . . 7274 1 842 . 1 1 68 68 VAL HG11 H 1 0.766 0.02 . 1 . . . . . . . . 7274 1 843 . 1 1 68 68 VAL HG12 H 1 0.766 0.02 . 1 . . . . . . . . 7274 1 844 . 1 1 68 68 VAL HG13 H 1 0.766 0.02 . 1 . . . . . . . . 7274 1 845 . 1 1 68 68 VAL HG21 H 1 0.751 0.02 . 1 . . . . . . . . 7274 1 846 . 1 1 68 68 VAL HG22 H 1 0.751 0.02 . 1 . . . . . . . . 7274 1 847 . 1 1 68 68 VAL HG23 H 1 0.751 0.02 . 1 . . . . . . . . 7274 1 848 . 1 1 68 68 VAL C C 13 174.802 0.2 . 1 . . . . . . . . 7274 1 849 . 1 1 68 68 VAL CA C 13 60.425 0.2 . 1 . . . . . . . . 7274 1 850 . 1 1 68 68 VAL CB C 13 34.781 0.2 . 1 . . . . . . . . 7274 1 851 . 1 1 68 68 VAL CG1 C 13 21.550 0.2 . 1 . . . . . . . . 7274 1 852 . 1 1 68 68 VAL CG2 C 13 21.011 0.2 . 1 . . . . . . . . 7274 1 853 . 1 1 68 68 VAL N N 15 124.319 0.2 . 1 . . . . . . . . 7274 1 854 . 1 1 69 69 SER H H 1 8.326 0.02 . 1 . . . . . . . . 7274 1 855 . 1 1 69 69 SER HA H 1 4.409 0.02 . 1 . . . . . . . . 7274 1 856 . 1 1 69 69 SER HB2 H 1 3.692 0.02 . 2 . . . . . . . . 7274 1 857 . 1 1 69 69 SER HB3 H 1 3.670 0.02 . 2 . . . . . . . . 7274 1 858 . 1 1 69 69 SER C C 13 173.647 0.2 . 1 . . . . . . . . 7274 1 859 . 1 1 69 69 SER CA C 13 57.837 0.2 . 1 . . . . . . . . 7274 1 860 . 1 1 69 69 SER CB C 13 63.543 0.2 . 1 . . . . . . . . 7274 1 861 . 1 1 69 69 SER N N 15 119.490 0.2 . 1 . . . . . . . . 7274 1 862 . 1 1 70 70 VAL H H 1 8.409 0.02 . 1 . . . . . . . . 7274 1 863 . 1 1 70 70 VAL HA H 1 4.001 0.02 . 1 . . . . . . . . 7274 1 864 . 1 1 70 70 VAL HB H 1 2.040 0.02 . 1 . . . . . . . . 7274 1 865 . 1 1 70 70 VAL HG11 H 1 1.025 0.02 . 1 . . . . . . . . 7274 1 866 . 1 1 70 70 VAL HG12 H 1 1.025 0.02 . 1 . . . . . . . . 7274 1 867 . 1 1 70 70 VAL HG13 H 1 1.025 0.02 . 1 . . . . . . . . 7274 1 868 . 1 1 70 70 VAL HG21 H 1 0.926 0.02 . 1 . . . . . . . . 7274 1 869 . 1 1 70 70 VAL HG22 H 1 0.926 0.02 . 1 . . . . . . . . 7274 1 870 . 1 1 70 70 VAL HG23 H 1 0.926 0.02 . 1 . . . . . . . . 7274 1 871 . 1 1 70 70 VAL C C 13 176.450 0.2 . 1 . . . . . . . . 7274 1 872 . 1 1 70 70 VAL CA C 13 62.031 0.2 . 1 . . . . . . . . 7274 1 873 . 1 1 70 70 VAL CB C 13 32.743 0.2 . 1 . . . . . . . . 7274 1 874 . 1 1 70 70 VAL CG1 C 13 21.238 0.2 . 1 . . . . . . . . 7274 1 875 . 1 1 70 70 VAL CG2 C 13 21.268 0.2 . 1 . . . . . . . . 7274 1 876 . 1 1 70 70 VAL N N 15 125.675 0.2 . 1 . . . . . . . . 7274 1 877 . 1 1 71 71 LYS H H 1 7.868 0.02 . 1 . . . . . . . . 7274 1 878 . 1 1 71 71 LYS HA H 1 4.106 0.02 . 1 . . . . . . . . 7274 1 879 . 1 1 71 71 LYS C C 13 176.054 0.2 . 1 . . . . . . . . 7274 1 880 . 1 1 71 71 LYS CA C 13 55.649 0.2 . 1 . . . . . . . . 7274 1 881 . 1 1 71 71 LYS CB C 13 32.757 0.2 . 1 . . . . . . . . 7274 1 882 . 1 1 71 71 LYS CG C 13 25.35 0.2 . 1 . . . . . . . . 7274 1 883 . 1 1 71 71 LYS CD C 13 28.47 0.2 . 1 . . . . . . . . 7274 1 884 . 1 1 71 71 LYS CE C 13 42.15 0.2 . 1 . . . . . . . . 7274 1 885 . 1 1 71 71 LYS HB2 H 1 1.750 0.02 . 1 . . . . . . . . 7274 1 886 . 1 1 71 71 LYS HB3 H 1 1.750 0.02 . 1 . . . . . . . . 7274 1 887 . 1 1 71 71 LYS HG2 H 1 1.592 0.02 . 1 . . . . . . . . 7274 1 888 . 1 1 71 71 LYS HG3 H 1 1.592 0.02 . 1 . . . . . . . . 7274 1 889 . 1 1 71 71 LYS N N 15 127.522 0.2 . 1 . . . . . . . . 7274 1 890 . 1 1 72 72 PHE H H 1 8.386 0.02 . 1 . . . . . . . . 7274 1 891 . 1 1 72 72 PHE HA H 1 4.792 0.02 . 1 . . . . . . . . 7274 1 892 . 1 1 72 72 PHE HB2 H 1 3.138 0.02 . 2 . . . . . . . . 7274 1 893 . 1 1 72 72 PHE HB3 H 1 2.891 0.02 . 2 . . . . . . . . 7274 1 894 . 1 1 72 72 PHE C C 13 175.771 0.2 . 1 . . . . . . . . 7274 1 895 . 1 1 72 72 PHE CA C 13 57.035 0.2 . 1 . . . . . . . . 7274 1 896 . 1 1 72 72 PHE CB C 13 37.648 0.2 . 1 . . . . . . . . 7274 1 897 . 1 1 72 72 PHE HD2 H 1 7.17 0.02 . 1 . . . . . . . . 7274 1 898 . 1 1 72 72 PHE HD1 H 1 7.17 0.02 . 1 . . . . . . . . 7274 1 899 . 1 1 72 72 PHE N N 15 120.911 0.2 . 1 . . . . . . . . 7274 1 900 . 1 1 73 73 SER H H 1 7.611 0.02 . 1 . . . . . . . . 7274 1 901 . 1 1 73 73 SER HA H 1 4.470 0.02 . 1 . . . . . . . . 7274 1 902 . 1 1 73 73 SER HB2 H 1 3.587 0.02 . 2 . . . . . . . . 7274 1 903 . 1 1 73 73 SER HB3 H 1 3.586 0.02 . 2 . . . . . . . . 7274 1 904 . 1 1 73 73 SER C C 13 172.603 0.2 . 1 . . . . . . . . 7274 1 905 . 1 1 73 73 SER CA C 13 56.794 0.2 . 1 . . . . . . . . 7274 1 906 . 1 1 73 73 SER CB C 13 65.090 0.2 . 1 . . . . . . . . 7274 1 907 . 1 1 73 73 SER N N 15 117.717 0.2 . 1 . . . . . . . . 7274 1 908 . 1 1 74 74 LYS H H 1 8.289 0.02 . 1 . . . . . . . . 7274 1 909 . 1 1 74 74 LYS HA H 1 4.555 0.02 . 1 . . . . . . . . 7274 1 910 . 1 1 74 74 LYS HB2 H 1 1.727 0.02 . 1 . . . . . . . . 7274 1 911 . 1 1 74 74 LYS HB3 H 1 1.727 0.02 . 1 . . . . . . . . 7274 1 912 . 1 1 74 74 LYS HG2 H 1 1.466 0.02 . 2 . . . . . . . . 7274 1 913 . 1 1 74 74 LYS HG3 H 1 1.370 0.02 . 2 . . . . . . . . 7274 1 914 . 1 1 74 74 LYS C C 13 176.411 0.2 . 1 . . . . . . . . 7274 1 915 . 1 1 74 74 LYS CA C 13 55.592 0.2 . 1 . . . . . . . . 7274 1 916 . 1 1 74 74 LYS CB C 13 33.676 0.2 . 1 . . . . . . . . 7274 1 917 . 1 1 74 74 LYS CG C 13 25.389 0.2 . 1 . . . . . . . . 7274 1 918 . 1 1 74 74 LYS CD C 13 29.747 0.2 . 1 . . . . . . . . 7274 1 919 . 1 1 74 74 LYS CE C 13 42.301 0.2 . 1 . . . . . . . . 7274 1 920 . 1 1 74 74 LYS N N 15 121.462 0.2 . 1 . . . . . . . . 7274 1 921 . 1 1 75 75 ASP H H 1 8.364 0.02 . 1 . . . . . . . . 7274 1 922 . 1 1 75 75 ASP HA H 1 4.724 0.02 . 1 . . . . . . . . 7274 1 923 . 1 1 75 75 ASP HB2 H 1 2.890 0.02 . 2 . . . . . . . . 7274 1 924 . 1 1 75 75 ASP HB3 H 1 2.401 0.02 . 2 . . . . . . . . 7274 1 925 . 1 1 75 75 ASP C C 13 175.450 0.2 . 1 . . . . . . . . 7274 1 926 . 1 1 75 75 ASP CA C 13 52.825 0.2 . 1 . . . . . . . . 7274 1 927 . 1 1 75 75 ASP CB C 13 40.777 0.2 . 1 . . . . . . . . 7274 1 928 . 1 1 75 75 ASP N N 15 122.592 0.2 . 1 . . . . . . . . 7274 1 929 . 1 1 76 76 ARG H H 1 8.374 0.02 . 1 . . . . . . . . 7274 1 930 . 1 1 76 76 ARG HA H 1 3.621 0.02 . 1 . . . . . . . . 7274 1 931 . 1 1 76 76 ARG HB2 H 1 1.801 0.02 . 2 . . . . . . . . 7274 1 932 . 1 1 76 76 ARG HB3 H 1 1.778 0.02 . 2 . . . . . . . . 7274 1 933 . 1 1 76 76 ARG HG2 H 1 1.638 0.02 . 2 . . . . . . . . 7274 1 934 . 1 1 76 76 ARG HG3 H 1 1.590 0.02 . 2 . . . . . . . . 7274 1 935 . 1 1 76 76 ARG HD2 H 1 3.327 0.02 . 2 . . . . . . . . 7274 1 936 . 1 1 76 76 ARG HD3 H 1 3.286 0.02 . 2 . . . . . . . . 7274 1 937 . 1 1 76 76 ARG HE H 1 7.412 0.02 . 1 . . . . . . . . 7274 1 938 . 1 1 76 76 ARG C C 13 178.018 0.2 . 1 . . . . . . . . 7274 1 939 . 1 1 76 76 ARG CA C 13 59.450 0.2 . 1 . . . . . . . . 7274 1 940 . 1 1 76 76 ARG CB C 13 30.177 0.2 . 1 . . . . . . . . 7274 1 941 . 1 1 76 76 ARG CD C 13 43.637 0.2 . 1 . . . . . . . . 7274 1 942 . 1 1 76 76 ARG N N 15 124.371 0.2 . 1 . . . . . . . . 7274 1 943 . 1 1 76 76 ARG NE N 15 84.965 0.2 . 1 . . . . . . . . 7274 1 944 . 1 1 77 77 HIS H H 1 8.560 0.02 . 1 . . . . . . . . 7274 1 945 . 1 1 77 77 HIS HA H 1 4.340 0.02 . 1 . . . . . . . . 7274 1 946 . 1 1 77 77 HIS HB2 H 1 3.271 0.02 . 2 . . . . . . . . 7274 1 947 . 1 1 77 77 HIS HB3 H 1 3.243 0.02 . 2 . . . . . . . . 7274 1 948 . 1 1 77 77 HIS C C 13 176.545 0.2 . 1 . . . . . . . . 7274 1 949 . 1 1 77 77 HIS CA C 13 58.197 0.2 . 1 . . . . . . . . 7274 1 950 . 1 1 77 77 HIS CB C 13 27.272 0.2 . 1 . . . . . . . . 7274 1 951 . 1 1 77 77 HIS N N 15 117.644 0.2 . 1 . . . . . . . . 7274 1 952 . 1 1 78 78 LEU H H 1 7.670 0.02 . 1 . . . . . . . . 7274 1 953 . 1 1 78 78 LEU HA H 1 3.991 0.02 . 1 . . . . . . . . 7274 1 954 . 1 1 78 78 LEU HB2 H 1 1.555 0.02 . 2 . . . . . . . . 7274 1 955 . 1 1 78 78 LEU HB3 H 1 1.379 0.02 . 2 . . . . . . . . 7274 1 956 . 1 1 78 78 LEU HG H 1 1.115 0.02 . 1 . . . . . . . . 7274 1 957 . 1 1 78 78 LEU HD11 H 1 0.726 0.02 . 1 . . . . . . . . 7274 1 958 . 1 1 78 78 LEU HD12 H 1 0.726 0.02 . 1 . . . . . . . . 7274 1 959 . 1 1 78 78 LEU HD13 H 1 0.726 0.02 . 1 . . . . . . . . 7274 1 960 . 1 1 78 78 LEU HD21 H 1 0.736 0.02 . 1 . . . . . . . . 7274 1 961 . 1 1 78 78 LEU HD22 H 1 0.736 0.02 . 1 . . . . . . . . 7274 1 962 . 1 1 78 78 LEU HD23 H 1 0.736 0.02 . 1 . . . . . . . . 7274 1 963 . 1 1 78 78 LEU C C 13 179.875 0.2 . 1 . . . . . . . . 7274 1 964 . 1 1 78 78 LEU CA C 13 56.640 0.2 . 1 . . . . . . . . 7274 1 965 . 1 1 78 78 LEU CB C 13 41.117 0.2 . 1 . . . . . . . . 7274 1 966 . 1 1 78 78 LEU CD1 C 13 22.880 0.2 . 1 . . . . . . . . 7274 1 967 . 1 1 78 78 LEU CD2 C 13 25.791 0.2 . 1 . . . . . . . . 7274 1 968 . 1 1 78 78 LEU N N 15 121.119 0.2 . 1 . . . . . . . . 7274 1 969 . 1 1 79 79 ILE H H 1 7.322 0.02 . 1 . . . . . . . . 7274 1 970 . 1 1 79 79 ILE HA H 1 2.830 0.02 . 1 . . . . . . . . 7274 1 971 . 1 1 79 79 ILE HB H 1 1.111 0.02 . 1 . . . . . . . . 7274 1 972 . 1 1 79 79 ILE HG12 H 1 1.560 0.02 . 2 . . . . . . . . 7274 1 973 . 1 1 79 79 ILE HG13 H 1 0.150 0.02 . 2 . . . . . . . . 7274 1 974 . 1 1 79 79 ILE HG21 H 1 -0.356 0.02 . 1 . . . . . . . . 7274 1 975 . 1 1 79 79 ILE HG22 H 1 -0.356 0.02 . 1 . . . . . . . . 7274 1 976 . 1 1 79 79 ILE HG23 H 1 -0.356 0.02 . 1 . . . . . . . . 7274 1 977 . 1 1 79 79 ILE HD11 H 1 0.420 0.02 . 1 . . . . . . . . 7274 1 978 . 1 1 79 79 ILE HD12 H 1 0.420 0.02 . 1 . . . . . . . . 7274 1 979 . 1 1 79 79 ILE HD13 H 1 0.420 0.02 . 1 . . . . . . . . 7274 1 980 . 1 1 79 79 ILE C C 13 176.439 0.2 . 1 . . . . . . . . 7274 1 981 . 1 1 79 79 ILE CA C 13 65.683 0.2 . 1 . . . . . . . . 7274 1 982 . 1 1 79 79 ILE CB C 13 37.091 0.2 . 1 . . . . . . . . 7274 1 983 . 1 1 79 79 ILE CG1 C 13 28.151 0.2 . 1 . . . . . . . . 7274 1 984 . 1 1 79 79 ILE CG2 C 13 15.686 0.2 . 1 . . . . . . . . 7274 1 985 . 1 1 79 79 ILE CD1 C 13 15.979 0.2 . 1 . . . . . . . . 7274 1 986 . 1 1 79 79 ILE N N 15 121.528 0.2 . 1 . . . . . . . . 7274 1 987 . 1 1 80 80 GLU H H 1 7.269 0.02 . 1 . . . . . . . . 7274 1 988 . 1 1 80 80 GLU HA H 1 3.194 0.02 . 1 . . . . . . . . 7274 1 989 . 1 1 80 80 GLU HB2 H 1 1.773 0.02 . 2 . . . . . . . . 7274 1 990 . 1 1 80 80 GLU HB3 H 1 1.547 0.02 . 2 . . . . . . . . 7274 1 991 . 1 1 80 80 GLU HG2 H 1 2.080 0.02 . 2 . . . . . . . . 7274 1 992 . 1 1 80 80 GLU HG3 H 1 1.927 0.02 . 2 . . . . . . . . 7274 1 993 . 1 1 80 80 GLU C C 13 178.747 0.2 . 1 . . . . . . . . 7274 1 994 . 1 1 80 80 GLU CA C 13 59.526 0.2 . 1 . . . . . . . . 7274 1 995 . 1 1 80 80 GLU CB C 13 29.160 0.2 . 1 . . . . . . . . 7274 1 996 . 1 1 80 80 GLU CG C 13 35.376 0.2 . 1 . . . . . . . . 7274 1 997 . 1 1 80 80 GLU N N 15 119.636 0.2 . 1 . . . . . . . . 7274 1 998 . 1 1 81 81 THR H H 1 8.159 0.02 . 1 . . . . . . . . 7274 1 999 . 1 1 81 81 THR HA H 1 3.822 0.02 . 1 . . . . . . . . 7274 1 1000 . 1 1 81 81 THR HB H 1 3.914 0.02 . 1 . . . . . . . . 7274 1 1001 . 1 1 81 81 THR HG21 H 1 0.975 0.02 . 1 . . . . . . . . 7274 1 1002 . 1 1 81 81 THR HG22 H 1 0.975 0.02 . 1 . . . . . . . . 7274 1 1003 . 1 1 81 81 THR HG23 H 1 0.975 0.02 . 1 . . . . . . . . 7274 1 1004 . 1 1 81 81 THR C C 13 177.240 0.2 . 1 . . . . . . . . 7274 1 1005 . 1 1 81 81 THR CA C 13 65.383 0.2 . 1 . . . . . . . . 7274 1 1006 . 1 1 81 81 THR CB C 13 68.557 0.2 . 1 . . . . . . . . 7274 1 1007 . 1 1 81 81 THR CG2 C 13 21.505 0.2 . 1 . . . . . . . . 7274 1 1008 . 1 1 81 81 THR N N 15 112.230 0.2 . 1 . . . . . . . . 7274 1 1009 . 1 1 82 82 THR H H 1 7.818 0.02 . 1 . . . . . . . . 7274 1 1010 . 1 1 82 82 THR HA H 1 3.660 0.02 . 1 . . . . . . . . 7274 1 1011 . 1 1 82 82 THR HB H 1 3.877 0.02 . 1 . . . . . . . . 7274 1 1012 . 1 1 82 82 THR HG21 H 1 1.146 0.02 . 1 . . . . . . . . 7274 1 1013 . 1 1 82 82 THR HG22 H 1 1.146 0.02 . 1 . . . . . . . . 7274 1 1014 . 1 1 82 82 THR HG23 H 1 1.146 0.02 . 1 . . . . . . . . 7274 1 1015 . 1 1 82 82 THR C C 13 175.848 0.2 . 1 . . . . . . . . 7274 1 1016 . 1 1 82 82 THR CA C 13 67.475 0.2 . 1 . . . . . . . . 7274 1 1017 . 1 1 82 82 THR CB C 13 68.185 0.2 . 1 . . . . . . . . 7274 1 1018 . 1 1 82 82 THR CG2 C 13 23.378 0.2 . 1 . . . . . . . . 7274 1 1019 . 1 1 82 82 THR N N 15 120.034 0.2 . 1 . . . . . . . . 7274 1 1020 . 1 1 83 83 SER H H 1 8.478 0.02 . 1 . . . . . . . . 7274 1 1021 . 1 1 83 83 SER HA H 1 4.150 0.02 . 1 . . . . . . . . 7274 1 1022 . 1 1 83 83 SER HB2 H 1 3.893 0.02 . 2 . . . . . . . . 7274 1 1023 . 1 1 83 83 SER HB3 H 1 3.814 0.02 . 2 . . . . . . . . 7274 1 1024 . 1 1 83 83 SER C C 13 177.658 0.2 . 1 . . . . . . . . 7274 1 1025 . 1 1 83 83 SER CA C 13 61.249 0.2 . 1 . . . . . . . . 7274 1 1026 . 1 1 83 83 SER CB C 13 62.207 0.2 . 1 . . . . . . . . 7274 1 1027 . 1 1 83 83 SER N N 15 116.587 0.2 . 1 . . . . . . . . 7274 1 1028 . 1 1 84 84 ASN H H 1 7.868 0.02 . 1 . . . . . . . . 7274 1 1029 . 1 1 84 84 ASN HA H 1 4.408 0.02 . 1 . . . . . . . . 7274 1 1030 . 1 1 84 84 ASN HB2 H 1 2.895 0.02 . 2 . . . . . . . . 7274 1 1031 . 1 1 84 84 ASN HB3 H 1 2.769 0.02 . 2 . . . . . . . . 7274 1 1032 . 1 1 84 84 ASN ND2 N 15 112.7 0.2 . 1 . . . . . . . . 7274 1 1033 . 1 1 84 84 ASN HD21 H 1 7.613 0.02 . 1 . . . . . . . . 7274 1 1034 . 1 1 84 84 ASN HD22 H 1 7.123 0.02 . 1 . . . . . . . . 7274 1 1035 . 1 1 84 84 ASN C C 13 178.317 0.2 . 1 . . . . . . . . 7274 1 1036 . 1 1 84 84 ASN CA C 13 56.435 0.2 . 1 . . . . . . . . 7274 1 1037 . 1 1 84 84 ASN CB C 13 37.620 0.2 . 1 . . . . . . . . 7274 1 1038 . 1 1 84 84 ASN N N 15 118.910 0.2 . 1 . . . . . . . . 7274 1 1039 . 1 1 85 85 LYS H H 1 7.940 0.02 . 1 . . . . . . . . 7274 1 1040 . 1 1 85 85 LYS HA H 1 4.062 0.02 . 1 . . . . . . . . 7274 1 1041 . 1 1 85 85 LYS HB2 H 1 1.947 0.02 . 2 . . . . . . . . 7274 1 1042 . 1 1 85 85 LYS HB3 H 1 1.583 0.02 . 2 . . . . . . . . 7274 1 1043 . 1 1 85 85 LYS HG2 H 1 1.629 0.02 . 2 . . . . . . . . 7274 1 1044 . 1 1 85 85 LYS HG3 H 1 1.605 0.02 . 2 . . . . . . . . 7274 1 1045 . 1 1 85 85 LYS C C 13 178.550 0.2 . 1 . . . . . . . . 7274 1 1046 . 1 1 85 85 LYS CA C 13 59.648 0.2 . 1 . . . . . . . . 7274 1 1047 . 1 1 85 85 LYS CB C 13 32.971 0.2 . 1 . . . . . . . . 7274 1 1048 . 1 1 85 85 LYS CG C 13 26.082 0.2 . 1 . . . . . . . . 7274 1 1049 . 1 1 85 85 LYS CD C 13 29.703 0.2 . 1 . . . . . . . . 7274 1 1050 . 1 1 85 85 LYS CE C 13 42.199 0.2 . 1 . . . . . . . . 7274 1 1051 . 1 1 85 85 LYS N N 15 120.592 0.2 . 1 . . . . . . . . 7274 1 1052 . 1 1 86 86 LEU H H 1 7.961 0.02 . 1 . . . . . . . . 7274 1 1053 . 1 1 86 86 LEU HA H 1 3.977 0.02 . 1 . . . . . . . . 7274 1 1054 . 1 1 86 86 LEU HB2 H 1 1.728 0.02 . 2 . . . . . . . . 7274 1 1055 . 1 1 86 86 LEU HB3 H 1 1.118 0.02 . 2 . . . . . . . . 7274 1 1056 . 1 1 86 86 LEU HG H 1 1.356 0.02 . 1 . . . . . . . . 7274 1 1057 . 1 1 86 86 LEU HD11 H 1 0.651 0.02 . 1 . . . . . . . . 7274 1 1058 . 1 1 86 86 LEU HD12 H 1 0.651 0.02 . 1 . . . . . . . . 7274 1 1059 . 1 1 86 86 LEU HD13 H 1 0.651 0.02 . 1 . . . . . . . . 7274 1 1060 . 1 1 86 86 LEU HD21 H 1 -0.149 0.02 . 1 . . . . . . . . 7274 1 1061 . 1 1 86 86 LEU HD22 H 1 -0.149 0.02 . 1 . . . . . . . . 7274 1 1062 . 1 1 86 86 LEU HD23 H 1 -0.149 0.02 . 1 . . . . . . . . 7274 1 1063 . 1 1 86 86 LEU C C 13 181.119 0.2 . 1 . . . . . . . . 7274 1 1064 . 1 1 86 86 LEU CA C 13 58.165 0.2 . 1 . . . . . . . . 7274 1 1065 . 1 1 86 86 LEU CB C 13 42.118 0.2 . 1 . . . . . . . . 7274 1 1066 . 1 1 86 86 LEU CG C 13 26.147 0.2 . 1 . . . . . . . . 7274 1 1067 . 1 1 86 86 LEU CD1 C 13 24.557 0.2 . 1 . . . . . . . . 7274 1 1068 . 1 1 86 86 LEU CD2 C 13 23.698 0.2 . 1 . . . . . . . . 7274 1 1069 . 1 1 86 86 LEU N N 15 122.143 0.2 . 1 . . . . . . . . 7274 1 1070 . 1 1 87 87 LYS H H 1 7.970 0.02 . 1 . . . . . . . . 7274 1 1071 . 1 1 87 87 LYS HA H 1 4.005 0.02 . 1 . . . . . . . . 7274 1 1072 . 1 1 87 87 LYS HB2 H 1 1.905 0.02 . 1 . . . . . . . . 7274 1 1073 . 1 1 87 87 LYS HB3 H 1 1.905 0.02 . 1 . . . . . . . . 7274 1 1074 . 1 1 87 87 LYS C C 13 178.316 0.2 . 1 . . . . . . . . 7274 1 1075 . 1 1 87 87 LYS CA C 13 59.642 0.2 . 1 . . . . . . . . 7274 1 1076 . 1 1 87 87 LYS CB C 13 32.297 0.2 . 1 . . . . . . . . 7274 1 1077 . 1 1 87 87 LYS CG C 13 25.406 0.2 . 1 . . . . . . . . 7274 1 1078 . 1 1 87 87 LYS CD C 13 29.483 0.2 . 1 . . . . . . . . 7274 1 1079 . 1 1 87 87 LYS CE C 13 42.179 0.2 . 1 . . . . . . . . 7274 1 1080 . 1 1 87 87 LYS N N 15 120.509 0.2 . 1 . . . . . . . . 7274 1 1081 . 1 1 88 88 SER H H 1 7.569 0.02 . 1 . . . . . . . . 7274 1 1082 . 1 1 88 88 SER HA H 1 4.429 0.02 . 1 . . . . . . . . 7274 1 1083 . 1 1 88 88 SER HB2 H 1 3.927 0.02 . 2 . . . . . . . . 7274 1 1084 . 1 1 88 88 SER HB3 H 1 3.922 0.02 . 2 . . . . . . . . 7274 1 1085 . 1 1 88 88 SER C C 13 173.272 0.2 . 1 . . . . . . . . 7274 1 1086 . 1 1 88 88 SER CA C 13 58.391 0.2 . 1 . . . . . . . . 7274 1 1087 . 1 1 88 88 SER CB C 13 63.575 0.2 . 1 . . . . . . . . 7274 1 1088 . 1 1 88 88 SER N N 15 111.427 0.2 . 1 . . . . . . . . 7274 1 1089 . 1 1 89 89 ARG H H 1 8.126 0.02 . 1 . . . . . . . . 7274 1 1090 . 1 1 89 89 ARG HA H 1 3.765 0.02 . 1 . . . . . . . . 7274 1 1091 . 1 1 89 89 ARG HB2 H 1 2.104 0.02 . 2 . . . . . . . . 7274 1 1092 . 1 1 89 89 ARG HB3 H 1 1.983 0.02 . 2 . . . . . . . . 7274 1 1093 . 1 1 89 89 ARG HG2 H 1 1.592 0.02 . 2 . . . . . . . . 7274 1 1094 . 1 1 89 89 ARG HG3 H 1 1.570 0.02 . 2 . . . . . . . . 7274 1 1095 . 1 1 89 89 ARG HD2 H 1 3.238 0.02 . 2 . . . . . . . . 7274 1 1096 . 1 1 89 89 ARG HD3 H 1 3.215 0.02 . 2 . . . . . . . . 7274 1 1097 . 1 1 89 89 ARG HE H 1 7.132 0.02 . 1 . . . . . . . . 7274 1 1098 . 1 1 89 89 ARG C C 13 175.587 0.2 . 1 . . . . . . . . 7274 1 1099 . 1 1 89 89 ARG CA C 13 57.471 0.2 . 1 . . . . . . . . 7274 1 1100 . 1 1 89 89 ARG CB C 13 26.329 0.2 . 1 . . . . . . . . 7274 1 1101 . 1 1 89 89 ARG CG C 13 28.083 0.2 . 1 . . . . . . . . 7274 1 1102 . 1 1 89 89 ARG CD C 13 43.587 0.2 . 1 . . . . . . . . 7274 1 1103 . 1 1 89 89 ARG N N 15 116.710 0.2 . 1 . . . . . . . . 7274 1 1104 . 1 1 89 89 ARG NE N 15 84.779 0.2 . 1 . . . . . . . . 7274 1 1105 . 1 1 90 90 GLU H H 1 8.407 0.02 . 1 . . . . . . . . 7274 1 1106 . 1 1 90 90 GLU HA H 1 4.210 0.02 . 1 . . . . . . . . 7274 1 1107 . 1 1 90 90 GLU HB2 H 1 2.094 0.02 . 2 . . . . . . . . 7274 1 1108 . 1 1 90 90 GLU HB3 H 1 1.774 0.02 . 2 . . . . . . . . 7274 1 1109 . 1 1 90 90 GLU HG2 H 1 2.258 0.02 . 2 . . . . . . . . 7274 1 1110 . 1 1 90 90 GLU HG3 H 1 2.256 0.02 . 2 . . . . . . . . 7274 1 1111 . 1 1 90 90 GLU C C 13 176.093 0.2 . 1 . . . . . . . . 7274 1 1112 . 1 1 90 90 GLU CA C 13 56.927 0.2 . 1 . . . . . . . . 7274 1 1113 . 1 1 90 90 GLU CB C 13 31.053 0.2 . 1 . . . . . . . . 7274 1 1114 . 1 1 90 90 GLU CG C 13 36.041 0.2 . 1 . . . . . . . . 7274 1 1115 . 1 1 90 90 GLU N N 15 115.865 0.2 . 1 . . . . . . . . 7274 1 1116 . 1 1 91 91 ILE H H 1 7.009 0.02 . 1 . . . . . . . . 7274 1 1117 . 1 1 91 91 ILE HA H 1 4.730 0.02 . 1 . . . . . . . . 7274 1 1118 . 1 1 91 91 ILE HB H 1 1.983 0.02 . 1 . . . . . . . . 7274 1 1119 . 1 1 91 91 ILE HG12 H 1 1.270 0.02 . 2 . . . . . . . . 7274 1 1120 . 1 1 91 91 ILE HG13 H 1 0.614 0.02 . 2 . . . . . . . . 7274 1 1121 . 1 1 91 91 ILE HG21 H 1 0.763 0.02 . 1 . . . . . . . . 7274 1 1122 . 1 1 91 91 ILE HG22 H 1 0.763 0.02 . 1 . . . . . . . . 7274 1 1123 . 1 1 91 91 ILE HG23 H 1 0.763 0.02 . 1 . . . . . . . . 7274 1 1124 . 1 1 91 91 ILE HD11 H 1 0.806 0.02 . 1 . . . . . . . . 7274 1 1125 . 1 1 91 91 ILE HD12 H 1 0.806 0.02 . 1 . . . . . . . . 7274 1 1126 . 1 1 91 91 ILE HD13 H 1 0.806 0.02 . 1 . . . . . . . . 7274 1 1127 . 1 1 91 91 ILE C C 13 174.635 0.2 . 1 . . . . . . . . 7274 1 1128 . 1 1 91 91 ILE CA C 13 58.470 0.2 . 1 . . . . . . . . 7274 1 1129 . 1 1 91 91 ILE CB C 13 42.202 0.2 . 1 . . . . . . . . 7274 1 1130 . 1 1 91 91 ILE CG1 C 13 23.768 0.2 . 1 . . . . . . . . 7274 1 1131 . 1 1 91 91 ILE CG2 C 13 17.656 0.2 . 1 . . . . . . . . 7274 1 1132 . 1 1 91 91 ILE CD1 C 13 14.808 0.2 . 1 . . . . . . . . 7274 1 1133 . 1 1 91 91 ILE N N 15 109.621 0.2 . 1 . . . . . . . . 7274 1 1134 . 1 1 92 92 THR H H 1 8.148 0.02 . 1 . . . . . . . . 7274 1 1135 . 1 1 92 92 THR HA H 1 4.419 0.02 . 1 . . . . . . . . 7274 1 1136 . 1 1 92 92 THR HB H 1 4.826 0.02 . 1 . . . . . . . . 7274 1 1137 . 1 1 92 92 THR HG21 H 1 1.282 0.02 . 1 . . . . . . . . 7274 1 1138 . 1 1 92 92 THR HG22 H 1 1.282 0.02 . 1 . . . . . . . . 7274 1 1139 . 1 1 92 92 THR HG23 H 1 1.282 0.02 . 1 . . . . . . . . 7274 1 1140 . 1 1 92 92 THR C C 13 175.566 0.2 . 1 . . . . . . . . 7274 1 1141 . 1 1 92 92 THR CA C 13 60.149 0.2 . 1 . . . . . . . . 7274 1 1142 . 1 1 92 92 THR CB C 13 71.401 0.2 . 1 . . . . . . . . 7274 1 1143 . 1 1 92 92 THR CG2 C 13 21.700 0.2 . 1 . . . . . . . . 7274 1 1144 . 1 1 92 92 THR N N 15 109.512 0.2 . 1 . . . . . . . . 7274 1 1145 . 1 1 93 93 PHE H H 1 9.516 0.02 . 1 . . . . . . . . 7274 1 1146 . 1 1 93 93 PHE HA H 1 3.984 0.02 . 1 . . . . . . . . 7274 1 1147 . 1 1 93 93 PHE HB2 H 1 3.338 0.02 . 2 . . . . . . . . 7274 1 1148 . 1 1 93 93 PHE HB3 H 1 3.138 0.02 . 2 . . . . . . . . 7274 1 1149 . 1 1 93 93 PHE CE1 C 13 131.9 0.2 . 1 . . . . . . . . 7274 1 1150 . 1 1 93 93 PHE CE2 C 13 131.9 0.2 . 1 . . . . . . . . 7274 1 1151 . 1 1 93 93 PHE HE1 H 1 7.672 0.02 . 1 . . . . . . . . 7274 1 1152 . 1 1 93 93 PHE HE2 H 1 7.672 0.02 . 1 . . . . . . . . 7274 1 1153 . 1 1 93 93 PHE CD1 C 13 132.06 0.2 . 1 . . . . . . . . 7274 1 1154 . 1 1 93 93 PHE CD2 C 13 132.06 0.2 . 1 . . . . . . . . 7274 1 1155 . 1 1 93 93 PHE HD1 H 1 7.164 0.02 . 1 . . . . . . . . 7274 1 1156 . 1 1 93 93 PHE HD2 H 1 7.164 0.02 . 1 . . . . . . . . 7274 1 1157 . 1 1 93 93 PHE HZ H 1 7.268 0.02 . 1 . . . . . . . . 7274 1 1158 . 1 1 93 93 PHE CZ C 13 129.2 0.2 . 1 . . . . . . . . 7274 1 1159 . 1 1 93 93 PHE C C 13 177.648 0.2 . 1 . . . . . . . . 7274 1 1160 . 1 1 93 93 PHE CA C 13 63.139 0.2 . 1 . . . . . . . . 7274 1 1161 . 1 1 93 93 PHE CB C 13 39.774 0.2 . 1 . . . . . . . . 7274 1 1162 . 1 1 93 93 PHE N N 15 120.684 0.2 . 1 . . . . . . . . 7274 1 1163 . 1 1 94 94 GLN H H 1 8.816 0.02 . 1 . . . . . . . . 7274 1 1164 . 1 1 94 94 GLN HA H 1 3.986 0.02 . 1 . . . . . . . . 7274 1 1165 . 1 1 94 94 GLN HB2 H 1 2.189 0.02 . 2 . . . . . . . . 7274 1 1166 . 1 1 94 94 GLN HB3 H 1 1.982 0.02 . 2 . . . . . . . . 7274 1 1167 . 1 1 94 94 GLN HG2 H 1 2.772 0.02 . 2 . . . . . . . . 7274 1 1168 . 1 1 94 94 GLN HG3 H 1 2.611 0.02 . 2 . . . . . . . . 7274 1 1169 . 1 1 94 94 GLN C C 13 179.113 0.2 . 1 . . . . . . . . 7274 1 1170 . 1 1 94 94 GLN CA C 13 58.836 0.2 . 1 . . . . . . . . 7274 1 1171 . 1 1 94 94 GLN CB C 13 27.364 0.2 . 1 . . . . . . . . 7274 1 1172 . 1 1 94 94 GLN CG C 13 34.042 0.2 . 1 . . . . . . . . 7274 1 1173 . 1 1 94 94 GLN N N 15 116.038 0.2 . 1 . . . . . . . . 7274 1 1174 . 1 1 94 94 GLN NE2 N 15 116.2 0.2 . 1 . . . . . . . . 7274 1 1175 . 1 1 94 94 GLN HE21 H 1 7.972 0.02 . 2 . . . . . . . . 7274 1 1176 . 1 1 94 94 GLN HE22 H 1 7.916 0.02 . 2 . . . . . . . . 7274 1 1177 . 1 1 95 95 GLU H H 1 7.622 0.02 . 1 . . . . . . . . 7274 1 1178 . 1 1 95 95 GLU HA H 1 3.922 0.02 . 1 . . . . . . . . 7274 1 1179 . 1 1 95 95 GLU HB2 H 1 2.214 0.02 . 2 . . . . . . . . 7274 1 1180 . 1 1 95 95 GLU HB3 H 1 1.898 0.02 . 2 . . . . . . . . 7274 1 1181 . 1 1 95 95 GLU HG2 H 1 2.234 0.02 . 2 . . . . . . . . 7274 1 1182 . 1 1 95 95 GLU HG3 H 1 2.227 0.02 . 2 . . . . . . . . 7274 1 1183 . 1 1 95 95 GLU C C 13 178.564 0.2 . 1 . . . . . . . . 7274 1 1184 . 1 1 95 95 GLU CA C 13 59.310 0.2 . 1 . . . . . . . . 7274 1 1185 . 1 1 95 95 GLU CB C 13 29.477 0.2 . 1 . . . . . . . . 7274 1 1186 . 1 1 95 95 GLU CG C 13 36.281 0.2 . 1 . . . . . . . . 7274 1 1187 . 1 1 95 95 GLU N N 15 121.077 0.2 . 1 . . . . . . . . 7274 1 1188 . 1 1 96 96 TYR H H 1 8.154 0.02 . 1 . . . . . . . . 7274 1 1189 . 1 1 96 96 TYR HA H 1 3.759 0.02 . 1 . . . . . . . . 7274 1 1190 . 1 1 96 96 TYR HB2 H 1 3.321 0.02 . 2 . . . . . . . . 7274 1 1191 . 1 1 96 96 TYR HB3 H 1 2.663 0.02 . 2 . . . . . . . . 7274 1 1192 . 1 1 96 96 TYR C C 13 175.623 0.2 . 1 . . . . . . . . 7274 1 1193 . 1 1 96 96 TYR CA C 13 60.689 0.2 . 1 . . . . . . . . 7274 1 1194 . 1 1 96 96 TYR CB C 13 37.932 0.2 . 1 . . . . . . . . 7274 1 1195 . 1 1 96 96 TYR N N 15 123.658 0.2 . 1 . . . . . . . . 7274 1 1196 . 1 1 96 96 TYR CD1 C 13 133.8 0.2 . 1 . . . . . . . . 7274 1 1197 . 1 1 96 96 TYR CD2 C 13 133.8 0.2 . 1 . . . . . . . . 7274 1 1198 . 1 1 96 96 TYR HD1 H 1 6.413 0.02 . 1 . . . . . . . . 7274 1 1199 . 1 1 96 96 TYR HD2 H 1 6.413 0.02 . 1 . . . . . . . . 7274 1 1200 . 1 1 96 96 TYR CE1 C 13 118.3 0.2 . 1 . . . . . . . . 7274 1 1201 . 1 1 96 96 TYR CE2 C 13 118.3 0.2 . 1 . . . . . . . . 7274 1 1202 . 1 1 96 96 TYR HE1 H 1 5.914 0.02 . 1 . . . . . . . . 7274 1 1203 . 1 1 96 96 TYR HE2 H 1 5.914 0.02 . 1 . . . . . . . . 7274 1 1204 . 1 1 97 97 ARG H H 1 8.450 0.02 . 1 . . . . . . . . 7274 1 1205 . 1 1 97 97 ARG HA H 1 3.466 0.02 . 1 . . . . . . . . 7274 1 1206 . 1 1 97 97 ARG HB2 H 1 1.873 0.02 . 2 . . . . . . . . 7274 1 1207 . 1 1 97 97 ARG HB3 H 1 1.538 0.02 . 2 . . . . . . . . 7274 1 1208 . 1 1 97 97 ARG HG2 H 1 1.289 0.02 . 2 . . . . . . . . 7274 1 1209 . 1 1 97 97 ARG HG3 H 1 1.625 0.02 . 2 . . . . . . . . 7274 1 1210 . 1 1 97 97 ARG HD2 H 1 3.494 0.02 . 2 . . . . . . . . 7274 1 1211 . 1 1 97 97 ARG HD3 H 1 3.371 0.02 . 2 . . . . . . . . 7274 1 1212 . 1 1 97 97 ARG C C 13 177.467 0.2 . 1 . . . . . . . . 7274 1 1213 . 1 1 97 97 ARG CA C 13 59.778 0.2 . 1 . . . . . . . . 7274 1 1214 . 1 1 97 97 ARG CB C 13 30.458 0.2 . 1 . . . . . . . . 7274 1 1215 . 1 1 97 97 ARG CG C 13 28.376 0.2 . 1 . . . . . . . . 7274 1 1216 . 1 1 97 97 ARG CD C 13 44.362 0.2 . 1 . . . . . . . . 7274 1 1217 . 1 1 97 97 ARG N N 15 119.818 0.2 . 1 . . . . . . . . 7274 1 1218 . 1 1 98 98 ARG H H 1 8.021 0.02 . 1 . . . . . . . . 7274 1 1219 . 1 1 98 98 ARG HA H 1 3.767 0.02 . 1 . . . . . . . . 7274 1 1220 . 1 1 98 98 ARG HB2 H 1 1.843 0.02 . 2 . . . . . . . . 7274 1 1221 . 1 1 98 98 ARG HB3 H 1 1.817 0.02 . 2 . . . . . . . . 7274 1 1222 . 1 1 98 98 ARG HG2 H 1 1.824 0.02 . 2 . . . . . . . . 7274 1 1223 . 1 1 98 98 ARG HG3 H 1 1.485 0.02 . 2 . . . . . . . . 7274 1 1224 . 1 1 98 98 ARG HD2 H 1 3.194 0.02 . 2 . . . . . . . . 7274 1 1225 . 1 1 98 98 ARG HD3 H 1 3.114 0.02 . 2 . . . . . . . . 7274 1 1226 . 1 1 98 98 ARG C C 13 179.397 0.2 . 1 . . . . . . . . 7274 1 1227 . 1 1 98 98 ARG CA C 13 60.214 0.2 . 1 . . . . . . . . 7274 1 1228 . 1 1 98 98 ARG CB C 13 30.184 0.2 . 1 . . . . . . . . 7274 1 1229 . 1 1 98 98 ARG CG C 13 28.845 0.2 . 1 . . . . . . . . 7274 1 1230 . 1 1 98 98 ARG CD C 13 43.432 0.2 . 1 . . . . . . . . 7274 1 1231 . 1 1 98 98 ARG N N 15 116.903 0.2 . 1 . . . . . . . . 7274 1 1232 . 1 1 99 99 ASN H H 1 8.188 0.02 . 1 . . . . . . . . 7274 1 1233 . 1 1 99 99 ASN HA H 1 4.286 0.02 . 1 . . . . . . . . 7274 1 1234 . 1 1 99 99 ASN HB2 H 1 2.703 0.02 . 2 . . . . . . . . 7274 1 1235 . 1 1 99 99 ASN HB3 H 1 2.379 0.02 . 2 . . . . . . . . 7274 1 1236 . 1 1 99 99 ASN HD21 H 1 6.886 0.02 . 1 . . . . . . . . 7274 1 1237 . 1 1 99 99 ASN HD22 H 1 7.101 0.02 . 1 . . . . . . . . 7274 1 1238 . 1 1 99 99 ASN C C 13 177.123 0.2 . 1 . . . . . . . . 7274 1 1239 . 1 1 99 99 ASN CA C 13 55.969 0.2 . 1 . . . . . . . . 7274 1 1240 . 1 1 99 99 ASN CB C 13 39.157 0.2 . 1 . . . . . . . . 7274 1 1241 . 1 1 99 99 ASN N N 15 119.741 0.2 . 1 . . . . . . . . 7274 1 1242 . 1 1 99 99 ASN ND2 N 15 110.621 0.2 . 1 . . . . . . . . 7274 1 1243 . 1 1 100 100 LEU H H 1 8.197 0.02 . 1 . . . . . . . . 7274 1 1244 . 1 1 100 100 LEU HA H 1 3.602 0.02 . 1 . . . . . . . . 7274 1 1245 . 1 1 100 100 LEU HB2 H 1 1.566 0.02 . 2 . . . . . . . . 7274 1 1246 . 1 1 100 100 LEU HB3 H 1 1.007 0.02 . 2 . . . . . . . . 7274 1 1247 . 1 1 100 100 LEU HG H 1 1.033 0.02 . 1 . . . . . . . . 7274 1 1248 . 1 1 100 100 LEU HD11 H 1 0.085 0.02 . 1 . . . . . . . . 7274 1 1249 . 1 1 100 100 LEU HD12 H 1 0.085 0.02 . 1 . . . . . . . . 7274 1 1250 . 1 1 100 100 LEU HD13 H 1 0.085 0.02 . 1 . . . . . . . . 7274 1 1251 . 1 1 100 100 LEU HD21 H 1 0.192 0.02 . 1 . . . . . . . . 7274 1 1252 . 1 1 100 100 LEU HD22 H 1 0.192 0.02 . 1 . . . . . . . . 7274 1 1253 . 1 1 100 100 LEU HD23 H 1 0.192 0.02 . 1 . . . . . . . . 7274 1 1254 . 1 1 100 100 LEU C C 13 179.284 0.2 . 1 . . . . . . . . 7274 1 1255 . 1 1 100 100 LEU CA C 13 58.365 0.2 . 1 . . . . . . . . 7274 1 1256 . 1 1 100 100 LEU CB C 13 39.781 0.2 . 1 . . . . . . . . 7274 1 1257 . 1 1 100 100 LEU CG C 13 28.432 0.2 . 1 . . . . . . . . 7274 1 1258 . 1 1 100 100 LEU CD1 C 13 25.543 0.2 . 1 . . . . . . . . 7274 1 1259 . 1 1 100 100 LEU CD2 C 13 24.862 0.2 . 1 . . . . . . . . 7274 1 1260 . 1 1 100 100 LEU N N 15 119.572 0.2 . 1 . . . . . . . . 7274 1 1261 . 1 1 101 101 ALA H H 1 8.096 0.02 . 1 . . . . . . . . 7274 1 1262 . 1 1 101 101 ALA HA H 1 4.338 0.02 . 1 . . . . . . . . 7274 1 1263 . 1 1 101 101 ALA HB1 H 1 1.469 0.02 . 1 . . . . . . . . 7274 1 1264 . 1 1 101 101 ALA HB2 H 1 1.469 0.02 . 1 . . . . . . . . 7274 1 1265 . 1 1 101 101 ALA HB3 H 1 1.469 0.02 . 1 . . . . . . . . 7274 1 1266 . 1 1 101 101 ALA C C 13 181.638 0.2 . 1 . . . . . . . . 7274 1 1267 . 1 1 101 101 ALA CA C 13 55.223 0.2 . 1 . . . . . . . . 7274 1 1268 . 1 1 101 101 ALA CB C 13 18.191 0.2 . 1 . . . . . . . . 7274 1 1269 . 1 1 101 101 ALA N N 15 123.052 0.2 . 1 . . . . . . . . 7274 1 1270 . 1 1 102 102 LYS H H 1 7.470 0.02 . 1 . . . . . . . . 7274 1 1271 . 1 1 102 102 LYS HA H 1 3.915 0.02 . 1 . . . . . . . . 7274 1 1272 . 1 1 102 102 LYS HB2 H 1 1.926 0.02 . 2 . . . . . . . . 7274 1 1273 . 1 1 102 102 LYS HB3 H 1 1.925 0.02 . 2 . . . . . . . . 7274 1 1274 . 1 1 102 102 LYS C C 13 176.689 0.2 . 1 . . . . . . . . 7274 1 1275 . 1 1 102 102 LYS CA C 13 58.767 0.2 . 1 . . . . . . . . 7274 1 1276 . 1 1 102 102 LYS CB C 13 32.133 0.2 . 1 . . . . . . . . 7274 1 1277 . 1 1 102 102 LYS CG C 13 25.404 0.2 . 1 . . . . . . . . 7274 1 1278 . 1 1 102 102 LYS CD C 13 29.682 0.2 . 1 . . . . . . . . 7274 1 1279 . 1 1 102 102 LYS CE C 13 42.137 0.2 . 1 . . . . . . . . 7274 1 1280 . 1 1 102 102 LYS N N 15 119.474 0.2 . 1 . . . . . . . . 7274 1 1281 . 1 1 103 103 ALA H H 1 7.444 0.02 . 1 . . . . . . . . 7274 1 1282 . 1 1 103 103 ALA HA H 1 4.184 0.02 . 1 . . . . . . . . 7274 1 1283 . 1 1 103 103 ALA HB1 H 1 1.425 0.02 . 1 . . . . . . . . 7274 1 1284 . 1 1 103 103 ALA HB2 H 1 1.425 0.02 . 1 . . . . . . . . 7274 1 1285 . 1 1 103 103 ALA HB3 H 1 1.425 0.02 . 1 . . . . . . . . 7274 1 1286 . 1 1 103 103 ALA C C 13 175.770 0.2 . 1 . . . . . . . . 7274 1 1287 . 1 1 103 103 ALA CA C 13 52.131 0.2 . 1 . . . . . . . . 7274 1 1288 . 1 1 103 103 ALA CB C 13 20.186 0.2 . 1 . . . . . . . . 7274 1 1289 . 1 1 103 103 ALA N N 15 119.882 0.2 . 1 . . . . . . . . 7274 1 1290 . 1 1 104 104 GLY H H 1 7.312 0.02 . 1 . . . . . . . . 7274 1 1291 . 1 1 104 104 GLY HA2 H 1 4.570 0.02 . 2 . . . . . . . . 7274 1 1292 . 1 1 104 104 GLY HA3 H 1 4.016 0.02 . 2 . . . . . . . . 7274 1 1293 . 1 1 104 104 GLY C C 13 175.853 0.2 . 1 . . . . . . . . 7274 1 1294 . 1 1 104 104 GLY CA C 13 44.323 0.2 . 1 . . . . . . . . 7274 1 1295 . 1 1 104 104 GLY N N 15 102.028 0.2 . 1 . . . . . . . . 7274 1 1296 . 1 1 105 105 VAL H H 1 8.025 0.02 . 1 . . . . . . . . 7274 1 1297 . 1 1 105 105 VAL HA H 1 3.653 0.02 . 1 . . . . . . . . 7274 1 1298 . 1 1 105 105 VAL HB H 1 1.952 0.02 . 1 . . . . . . . . 7274 1 1299 . 1 1 105 105 VAL HG11 H 1 1.319 0.02 . 1 . . . . . . . . 7274 1 1300 . 1 1 105 105 VAL HG12 H 1 1.319 0.02 . 1 . . . . . . . . 7274 1 1301 . 1 1 105 105 VAL HG13 H 1 1.319 0.02 . 1 . . . . . . . . 7274 1 1302 . 1 1 105 105 VAL HG21 H 1 0.876 0.02 . 1 . . . . . . . . 7274 1 1303 . 1 1 105 105 VAL HG22 H 1 0.876 0.02 . 1 . . . . . . . . 7274 1 1304 . 1 1 105 105 VAL HG23 H 1 0.876 0.02 . 1 . . . . . . . . 7274 1 1305 . 1 1 105 105 VAL C C 13 172.399 0.2 . 1 . . . . . . . . 7274 1 1306 . 1 1 105 105 VAL CA C 13 63.830 0.2 . 1 . . . . . . . . 7274 1 1307 . 1 1 105 105 VAL CB C 13 31.252 0.2 . 1 . . . . . . . . 7274 1 1308 . 1 1 105 105 VAL CG1 C 13 23.451 0.2 . 1 . . . . . . . . 7274 1 1309 . 1 1 105 105 VAL CG2 C 13 23.768 0.2 . 1 . . . . . . . . 7274 1 1310 . 1 1 105 105 VAL N N 15 120.273 0.2 . 1 . . . . . . . . 7274 1 1311 . 1 1 106 106 PHE H H 1 9.475 0.02 . 1 . . . . . . . . 7274 1 1312 . 1 1 106 106 PHE HA H 1 4.820 0.02 . 1 . . . . . . . . 7274 1 1313 . 1 1 106 106 PHE HB2 H 1 3.266 0.02 . 2 . . . . . . . . 7274 1 1314 . 1 1 106 106 PHE HB3 H 1 2.854 0.02 . 2 . . . . . . . . 7274 1 1315 . 1 1 106 106 PHE CE1 C 13 132.4 0.2 . 1 . . . . . . . . 7274 1 1316 . 1 1 106 106 PHE CE2 C 13 132.4 0.2 . 1 . . . . . . . . 7274 1 1317 . 1 1 106 106 PHE HE1 H 1 7.645 0.02 . 1 . . . . . . . . 7274 1 1318 . 1 1 106 106 PHE HE2 H 1 7.645 0.02 . 1 . . . . . . . . 7274 1 1319 . 1 1 106 106 PHE CD1 C 13 132.09 0.2 . 1 . . . . . . . . 7274 1 1320 . 1 1 106 106 PHE CD2 C 13 132.09 0.2 . 1 . . . . . . . . 7274 1 1321 . 1 1 106 106 PHE HD1 H 1 7.384 0.02 . 1 . . . . . . . . 7274 1 1322 . 1 1 106 106 PHE HD2 H 1 7.384 0.02 . 1 . . . . . . . . 7274 1 1323 . 1 1 106 106 PHE C C 13 176.553 0.2 . 1 . . . . . . . . 7274 1 1324 . 1 1 106 106 PHE CA C 13 58.480 0.2 . 1 . . . . . . . . 7274 1 1325 . 1 1 106 106 PHE CB C 13 43.017 0.2 . 1 . . . . . . . . 7274 1 1326 . 1 1 106 106 PHE N N 15 126.630 0.2 . 1 . . . . . . . . 7274 1 1327 . 1 1 107 107 ARG H H 1 8.337 0.02 . 1 . . . . . . . . 7274 1 1328 . 1 1 107 107 ARG HA H 1 5.208 0.02 . 1 . . . . . . . . 7274 1 1329 . 1 1 107 107 ARG HB2 H 1 1.283 0.02 . 2 . . . . . . . . 7274 1 1330 . 1 1 107 107 ARG HB3 H 1 1.054 0.02 . 2 . . . . . . . . 7274 1 1331 . 1 1 107 107 ARG HG2 H 1 1.702 0.02 . 2 . . . . . . . . 7274 1 1332 . 1 1 107 107 ARG HG3 H 1 1.091 0.02 . 2 . . . . . . . . 7274 1 1333 . 1 1 107 107 ARG HD2 H 1 2.935 0.02 . 2 . . . . . . . . 7274 1 1334 . 1 1 107 107 ARG HD3 H 1 2.442 0.02 . 2 . . . . . . . . 7274 1 1335 . 1 1 107 107 ARG HE H 1 7.335 0.02 . 1 . . . . . . . . 7274 1 1336 . 1 1 107 107 ARG C C 13 173.380 0.2 . 1 . . . . . . . . 7274 1 1337 . 1 1 107 107 ARG CA C 13 54.081 0.2 . 1 . . . . . . . . 7274 1 1338 . 1 1 107 107 ARG CB C 13 32.130 0.2 . 1 . . . . . . . . 7274 1 1339 . 1 1 107 107 ARG CG C 13 27.985 0.2 . 1 . . . . . . . . 7274 1 1340 . 1 1 107 107 ARG CD C 13 43.793 0.2 . 1 . . . . . . . . 7274 1 1341 . 1 1 107 107 ARG N N 15 115.171 0.2 . 1 . . . . . . . . 7274 1 1342 . 1 1 107 107 ARG NE N 15 86.088 0.2 . 1 . . . . . . . . 7274 1 1343 . 1 1 108 108 TRP H H 1 8.595 0.02 . 1 . . . . . . . . 7274 1 1344 . 1 1 108 108 TRP HA H 1 6.069 0.02 . 1 . . . . . . . . 7274 1 1345 . 1 1 108 108 TRP HB2 H 1 2.974 0.02 . 2 . . . . . . . . 7274 1 1346 . 1 1 108 108 TRP HB3 H 1 2.567 0.02 . 2 . . . . . . . . 7274 1 1347 . 1 1 108 108 TRP HD1 H 1 6.783 0.02 . 1 . . . . . . . . 7274 1 1348 . 1 1 108 108 TRP HE1 H 1 10.829 0.02 . 1 . . . . . . . . 7274 1 1349 . 1 1 108 108 TRP HZ2 H 1 6.674 0.02 . 1 . . . . . . . . 7274 1 1350 . 1 1 108 108 TRP CH2 C 13 123.2 0.2 . 1 . . . . . . . . 7274 1 1351 . 1 1 108 108 TRP HH2 H 1 6.617 0.02 . 1 . . . . . . . . 7274 1 1352 . 1 1 108 108 TRP CZ3 C 13 121.0 0.2 . 1 . . . . . . . . 7274 1 1353 . 1 1 108 108 TRP HZ3 H 1 6.662 0.02 . 1 . . . . . . . . 7274 1 1354 . 1 1 108 108 TRP CE3 C 13 119.3 0.2 . 1 . . . . . . . . 7274 1 1355 . 1 1 108 108 TRP HE3 H 1 7.298 0.02 . 1 . . . . . . . . 7274 1 1356 . 1 1 108 108 TRP C C 13 173.766 0.2 . 1 . . . . . . . . 7274 1 1357 . 1 1 108 108 TRP CA C 13 55.480 0.2 . 1 . . . . . . . . 7274 1 1358 . 1 1 108 108 TRP CB C 13 32.054 0.2 . 1 . . . . . . . . 7274 1 1359 . 1 1 108 108 TRP CD1 C 13 125.938 0.2 . 1 . . . . . . . . 7274 1 1360 . 1 1 108 108 TRP CZ2 C 13 113.972 0.2 . 1 . . . . . . . . 7274 1 1361 . 1 1 108 108 TRP N N 15 117.668 0.2 . 1 . . . . . . . . 7274 1 1362 . 1 1 108 108 TRP NE1 N 15 132.849 0.2 . 1 . . . . . . . . 7274 1 1363 . 1 1 109 109 VAL H H 1 9.309 0.02 . 1 . . . . . . . . 7274 1 1364 . 1 1 109 109 VAL HA H 1 5.130 0.02 . 1 . . . . . . . . 7274 1 1365 . 1 1 109 109 VAL HB H 1 2.155 0.02 . 1 . . . . . . . . 7274 1 1366 . 1 1 109 109 VAL HG11 H 1 0.881 0.02 . 1 . . . . . . . . 7274 1 1367 . 1 1 109 109 VAL HG12 H 1 0.881 0.02 . 1 . . . . . . . . 7274 1 1368 . 1 1 109 109 VAL HG13 H 1 0.881 0.02 . 1 . . . . . . . . 7274 1 1369 . 1 1 109 109 VAL HG21 H 1 0.963 0.02 . 1 . . . . . . . . 7274 1 1370 . 1 1 109 109 VAL HG22 H 1 0.963 0.02 . 1 . . . . . . . . 7274 1 1371 . 1 1 109 109 VAL HG23 H 1 0.963 0.02 . 1 . . . . . . . . 7274 1 1372 . 1 1 109 109 VAL C C 13 175.943 0.2 . 1 . . . . . . . . 7274 1 1373 . 1 1 109 109 VAL CA C 13 59.822 0.2 . 1 . . . . . . . . 7274 1 1374 . 1 1 109 109 VAL CB C 13 36.020 0.2 . 1 . . . . . . . . 7274 1 1375 . 1 1 109 109 VAL CG1 C 13 20.052 0.2 . 1 . . . . . . . . 7274 1 1376 . 1 1 109 109 VAL CG2 C 13 22.159 0.2 . 1 . . . . . . . . 7274 1 1377 . 1 1 109 109 VAL N N 15 120.244 0.2 . 1 . . . . . . . . 7274 1 1378 . 1 1 110 110 THR H H 1 8.250 0.02 . 1 . . . . . . . . 7274 1 1379 . 1 1 110 110 THR HA H 1 4.828 0.02 . 1 . . . . . . . . 7274 1 1380 . 1 1 110 110 THR HB H 1 3.182 0.02 . 1 . . . . . . . . 7274 1 1381 . 1 1 110 110 THR HG21 H 1 1.059 0.02 . 1 . . . . . . . . 7274 1 1382 . 1 1 110 110 THR HG22 H 1 1.059 0.02 . 1 . . . . . . . . 7274 1 1383 . 1 1 110 110 THR HG23 H 1 1.059 0.02 . 1 . . . . . . . . 7274 1 1384 . 1 1 110 110 THR C C 13 173.243 0.2 . 1 . . . . . . . . 7274 1 1385 . 1 1 110 110 THR CA C 13 60.933 0.2 . 1 . . . . . . . . 7274 1 1386 . 1 1 110 110 THR CB C 13 69.906 0.2 . 1 . . . . . . . . 7274 1 1387 . 1 1 110 110 THR CG2 C 13 23.413 0.2 . 1 . . . . . . . . 7274 1 1388 . 1 1 110 110 THR N N 15 123.297 0.2 . 1 . . . . . . . . 7274 1 1389 . 1 1 111 111 ASN H H 1 9.262 0.02 . 1 . . . . . . . . 7274 1 1390 . 1 1 111 111 ASN HA H 1 4.968 0.02 . 1 . . . . . . . . 7274 1 1391 . 1 1 111 111 ASN HB2 H 1 3.104 0.02 . 2 . . . . . . . . 7274 1 1392 . 1 1 111 111 ASN HB3 H 1 2.533 0.02 . 2 . . . . . . . . 7274 1 1393 . 1 1 111 111 ASN C C 13 175.342 0.2 . 1 . . . . . . . . 7274 1 1394 . 1 1 111 111 ASN CA C 13 52.506 0.2 . 1 . . . . . . . . 7274 1 1395 . 1 1 111 111 ASN CB C 13 40.627 0.2 . 1 . . . . . . . . 7274 1 1396 . 1 1 111 111 ASN N N 15 126.475 0.2 . 1 . . . . . . . . 7274 1 1397 . 1 1 111 111 ASN ND2 N 15 114.9 0.2 . 1 . . . . . . . . 7274 1 1398 . 1 1 111 111 ASN HD21 H 1 7.833 0.02 . 2 . . . . . . . . 7274 1 1399 . 1 1 111 111 ASN HD22 H 1 7.018 0.02 . 2 . . . . . . . . 7274 1 1400 . 1 1 112 112 ILE H H 1 8.021 0.02 . 1 . . . . . . . . 7274 1 1401 . 1 1 112 112 ILE HA H 1 3.598 0.02 . 1 . . . . . . . . 7274 1 1402 . 1 1 112 112 ILE HB H 1 2.183 0.02 . 1 . . . . . . . . 7274 1 1403 . 1 1 112 112 ILE HG12 H 1 1.308 0.02 . 2 . . . . . . . . 7274 1 1404 . 1 1 112 112 ILE HG13 H 1 1.237 0.02 . 2 . . . . . . . . 7274 1 1405 . 1 1 112 112 ILE HG21 H 1 0.840 0.02 . 1 . . . . . . . . 7274 1 1406 . 1 1 112 112 ILE HG22 H 1 0.840 0.02 . 1 . . . . . . . . 7274 1 1407 . 1 1 112 112 ILE HG23 H 1 0.840 0.02 . 1 . . . . . . . . 7274 1 1408 . 1 1 112 112 ILE HD11 H 1 0.718 0.02 . 1 . . . . . . . . 7274 1 1409 . 1 1 112 112 ILE HD12 H 1 0.718 0.02 . 1 . . . . . . . . 7274 1 1410 . 1 1 112 112 ILE HD13 H 1 0.718 0.02 . 1 . . . . . . . . 7274 1 1411 . 1 1 112 112 ILE C C 13 177.648 0.2 . 1 . . . . . . . . 7274 1 1412 . 1 1 112 112 ILE CA C 13 62.111 0.2 . 1 . . . . . . . . 7274 1 1413 . 1 1 112 112 ILE CB C 13 35.621 0.2 . 1 . . . . . . . . 7274 1 1414 . 1 1 112 112 ILE CG1 C 13 27.550 0.2 . 1 . . . . . . . . 7274 1 1415 . 1 1 112 112 ILE CG2 C 13 17.342 0.2 . 1 . . . . . . . . 7274 1 1416 . 1 1 112 112 ILE CD1 C 13 9.843 0.2 . 1 . . . . . . . . 7274 1 1417 . 1 1 112 112 ILE N N 15 124.886 0.2 . 1 . . . . . . . . 7274 1 1418 . 1 1 113 113 HIS H H 1 8.534 0.02 . 1 . . . . . . . . 7274 1 1419 . 1 1 113 113 HIS HA H 1 4.449 0.02 . 1 . . . . . . . . 7274 1 1420 . 1 1 113 113 HIS HB2 H 1 3.448 0.02 . 2 . . . . . . . . 7274 1 1421 . 1 1 113 113 HIS HB3 H 1 3.451 0.02 . 2 . . . . . . . . 7274 1 1422 . 1 1 113 113 HIS CD2 C 13 120.3 0.2 . 1 . . . . . . . . 7274 1 1423 . 1 1 113 113 HIS HD2 H 1 7.329 0.02 . 1 . . . . . . . . 7274 1 1424 . 1 1 113 113 HIS C C 13 177.164 0.2 . 1 . . . . . . . . 7274 1 1425 . 1 1 113 113 HIS CA C 13 59.151 0.2 . 1 . . . . . . . . 7274 1 1426 . 1 1 113 113 HIS CB C 13 28.157 0.2 . 1 . . . . . . . . 7274 1 1427 . 1 1 113 113 HIS N N 15 120.348 0.2 . 1 . . . . . . . . 7274 1 1428 . 1 1 114 114 GLU H H 1 8.402 0.02 . 1 . . . . . . . . 7274 1 1429 . 1 1 114 114 GLU HA H 1 3.907 0.02 . 1 . . . . . . . . 7274 1 1430 . 1 1 114 114 GLU HB2 H 1 1.943 0.02 . 2 . . . . . . . . 7274 1 1431 . 1 1 114 114 GLU HB3 H 1 1.652 0.02 . 2 . . . . . . . . 7274 1 1432 . 1 1 114 114 GLU HG2 H 1 2.210 0.02 . 2 . . . . . . . . 7274 1 1433 . 1 1 114 114 GLU HG3 H 1 2.212 0.02 . 2 . . . . . . . . 7274 1 1434 . 1 1 114 114 GLU C C 13 175.702 0.2 . 1 . . . . . . . . 7274 1 1435 . 1 1 114 114 GLU CA C 13 56.233 0.2 . 1 . . . . . . . . 7274 1 1436 . 1 1 114 114 GLU CB C 13 30.559 0.2 . 1 . . . . . . . . 7274 1 1437 . 1 1 114 114 GLU CG C 13 35.926 0.2 . 1 . . . . . . . . 7274 1 1438 . 1 1 114 114 GLU N N 15 115.664 0.2 . 1 . . . . . . . . 7274 1 1439 . 1 1 115 115 GLN H H 1 7.761 0.02 . 1 . . . . . . . . 7274 1 1440 . 1 1 115 115 GLN HA H 1 3.333 0.02 . 1 . . . . . . . . 7274 1 1441 . 1 1 115 115 GLN HB2 H 1 2.320 0.02 . 2 . . . . . . . . 7274 1 1442 . 1 1 115 115 GLN HB3 H 1 1.867 0.02 . 2 . . . . . . . . 7274 1 1443 . 1 1 115 115 GLN HG2 H 1 2.124 0.02 . 2 . . . . . . . . 7274 1 1444 . 1 1 115 115 GLN HG3 H 1 2.048 0.02 . 2 . . . . . . . . 7274 1 1445 . 1 1 115 115 GLN NE2 N 15 112.2 0.2 . 1 . . . . . . . . 7274 1 1446 . 1 1 115 115 GLN HE21 H 1 7.697 0.02 . 1 . . . . . . . . 7274 1 1447 . 1 1 115 115 GLN HE22 H 1 6.686 0.02 . 1 . . . . . . . . 7274 1 1448 . 1 1 115 115 GLN C C 13 176.216 0.2 . 1 . . . . . . . . 7274 1 1449 . 1 1 115 115 GLN CA C 13 56.546 0.2 . 1 . . . . . . . . 7274 1 1450 . 1 1 115 115 GLN CB C 13 26.201 0.2 . 1 . . . . . . . . 7274 1 1451 . 1 1 115 115 GLN CG C 13 34.171 0.2 . 1 . . . . . . . . 7274 1 1452 . 1 1 115 115 GLN N N 15 113.582 0.2 . 1 . . . . . . . . 7274 1 1453 . 1 1 116 116 LYS H H 1 7.610 0.02 . 1 . . . . . . . . 7274 1 1454 . 1 1 116 116 LYS HA H 1 4.909 0.02 . 1 . . . . . . . . 7274 1 1455 . 1 1 116 116 LYS HB2 H 1 1.222 0.02 . 2 . . . . . . . . 7274 1 1456 . 1 1 116 116 LYS HB3 H 1 0.903 0.02 . 2 . . . . . . . . 7274 1 1457 . 1 1 116 116 LYS HG2 H 1 1.236 0.02 . 2 . . . . . . . . 7274 1 1458 . 1 1 116 116 LYS HG3 H 1 0.905 0.02 . 2 . . . . . . . . 7274 1 1459 . 1 1 116 116 LYS HD2 H 1 1.309 0.02 . 2 . . . . . . . . 7274 1 1460 . 1 1 116 116 LYS HD3 H 1 1.308 0.02 . 2 . . . . . . . . 7274 1 1461 . 1 1 116 116 LYS HE2 H 1 2.730 0.02 . 1 . . . . . . . . 7274 1 1462 . 1 1 116 116 LYS HE3 H 1 2.730 0.02 . 1 . . . . . . . . 7274 1 1463 . 1 1 116 116 LYS C C 13 172.888 0.2 . 1 . . . . . . . . 7274 1 1464 . 1 1 116 116 LYS CA C 13 55.059 0.2 . 1 . . . . . . . . 7274 1 1465 . 1 1 116 116 LYS CB C 13 39.381 0.2 . 1 . . . . . . . . 7274 1 1466 . 1 1 116 116 LYS CG C 13 25.618 0.2 . 1 . . . . . . . . 7274 1 1467 . 1 1 116 116 LYS CD C 13 29.263 0.2 . 1 . . . . . . . . 7274 1 1468 . 1 1 116 116 LYS CE C 13 42.365 0.2 . 1 . . . . . . . . 7274 1 1469 . 1 1 116 116 LYS N N 15 118.716 0.2 . 1 . . . . . . . . 7274 1 1470 . 1 1 117 117 ARG H H 1 8.575 0.02 . 1 . . . . . . . . 7274 1 1471 . 1 1 117 117 ARG HA H 1 5.135 0.02 . 1 . . . . . . . . 7274 1 1472 . 1 1 117 117 ARG HB2 H 1 1.353 0.02 . 2 . . . . . . . . 7274 1 1473 . 1 1 117 117 ARG HB3 H 1 1.113 0.02 . 2 . . . . . . . . 7274 1 1474 . 1 1 117 117 ARG HG2 H 1 1.218 0.02 . 2 . . . . . . . . 7274 1 1475 . 1 1 117 117 ARG C C 13 173.274 0.2 . 1 . . . . . . . . 7274 1 1476 . 1 1 117 117 ARG CA C 13 54.265 0.2 . 1 . . . . . . . . 7274 1 1477 . 1 1 117 117 ARG CB C 13 34.848 0.2 . 1 . . . . . . . . 7274 1 1478 . 1 1 117 117 ARG CG C 13 27.173 0.2 . 1 . . . . . . . . 7274 1 1479 . 1 1 117 117 ARG CD C 13 44.137 0.2 . 1 . . . . . . . . 7274 1 1480 . 1 1 117 117 ARG N N 15 122.476 0.2 . 1 . . . . . . . . 7274 1 1481 . 1 1 118 118 TYR H H 1 9.242 0.02 . 1 . . . . . . . . 7274 1 1482 . 1 1 118 118 TYR HA H 1 4.816 0.02 . 1 . . . . . . . . 7274 1 1483 . 1 1 118 118 TYR HB2 H 1 2.789 0.02 . 2 . . . . . . . . 7274 1 1484 . 1 1 118 118 TYR HB3 H 1 2.639 0.02 . 2 . . . . . . . . 7274 1 1485 . 1 1 118 118 TYR CD1 C 13 134.0 0.2 . 1 . . . . . . . . 7274 1 1486 . 1 1 118 118 TYR CD2 C 13 134.0 0.2 . 1 . . . . . . . . 7274 1 1487 . 1 1 118 118 TYR HD1 H 1 7.077 0.02 . 1 . . . . . . . . 7274 1 1488 . 1 1 118 118 TYR HD2 H 1 7.077 0.02 . 1 . . . . . . . . 7274 1 1489 . 1 1 118 118 TYR CE1 C 13 117.9 0.2 . 1 . . . . . . . . 7274 1 1490 . 1 1 118 118 TYR CE2 C 13 117.9 0.2 . 1 . . . . . . . . 7274 1 1491 . 1 1 118 118 TYR HE1 H 1 6.595 0.02 . 1 . . . . . . . . 7274 1 1492 . 1 1 118 118 TYR HE2 H 1 6.595 0.02 . 1 . . . . . . . . 7274 1 1493 . 1 1 118 118 TYR C C 13 174.940 0.2 . 1 . . . . . . . . 7274 1 1494 . 1 1 118 118 TYR CA C 13 56.537 0.2 . 1 . . . . . . . . 7274 1 1495 . 1 1 118 118 TYR CB C 13 42.467 0.2 . 1 . . . . . . . . 7274 1 1496 . 1 1 118 118 TYR N N 15 123.050 0.2 . 1 . . . . . . . . 7274 1 1497 . 1 1 119 119 TYR H H 1 8.292 0.02 . 1 . . . . . . . . 7274 1 1498 . 1 1 119 119 TYR HA H 1 5.062 0.02 . 1 . . . . . . . . 7274 1 1499 . 1 1 119 119 TYR HB2 H 1 2.972 0.02 . 2 . . . . . . . . 7274 1 1500 . 1 1 119 119 TYR HB3 H 1 2.900 0.02 . 2 . . . . . . . . 7274 1 1501 . 1 1 119 119 TYR HD1 H 1 7.140 0.02 . 1 . . . . . . . . 7274 1 1502 . 1 1 119 119 TYR HD2 H 1 7.140 0.02 . 1 . . . . . . . . 7274 1 1503 . 1 1 119 119 TYR HE1 H 1 6.423 0.02 . 1 . . . . . . . . 7274 1 1504 . 1 1 119 119 TYR HE2 H 1 6.423 0.02 . 1 . . . . . . . . 7274 1 1505 . 1 1 119 119 TYR C C 13 174.465 0.2 . 1 . . . . . . . . 7274 1 1506 . 1 1 119 119 TYR CA C 13 57.811 0.2 . 1 . . . . . . . . 7274 1 1507 . 1 1 119 119 TYR CB C 13 40.029 0.2 . 1 . . . . . . . . 7274 1 1508 . 1 1 119 119 TYR CD1 C 13 133.6 0.2 . 1 . . . . . . . . 7274 1 1509 . 1 1 119 119 TYR CD2 C 13 133.6 0.2 . 1 . . . . . . . . 7274 1 1510 . 1 1 119 119 TYR CE1 C 13 118.2 0.2 . 1 . . . . . . . . 7274 1 1511 . 1 1 119 119 TYR CE2 C 13 118.2 0.2 . 1 . . . . . . . . 7274 1 1512 . 1 1 119 119 TYR N N 15 118.911 0.2 . 1 . . . . . . . . 7274 1 1513 . 1 1 120 120 TYR H H 1 8.986 0.02 . 1 . . . . . . . . 7274 1 1514 . 1 1 120 120 TYR HA H 1 5.822 0.02 . 1 . . . . . . . . 7274 1 1515 . 1 1 120 120 TYR HB2 H 1 3.236 0.02 . 2 . . . . . . . . 7274 1 1516 . 1 1 120 120 TYR HB3 H 1 2.833 0.02 . 2 . . . . . . . . 7274 1 1517 . 1 1 120 120 TYR HD1 H 1 6.65 0.02 . 1 . . . . . . . . 7274 1 1518 . 1 1 120 120 TYR HD2 H 1 6.65 0.02 . 1 . . . . . . . . 7274 1 1519 . 1 1 120 120 TYR HE1 H 1 6.53 0.02 . 1 . . . . . . . . 7274 1 1520 . 1 1 120 120 TYR HE2 H 1 6.53 0.02 . 1 . . . . . . . . 7274 1 1521 . 1 1 120 120 TYR C C 13 177.791 0.2 . 1 . . . . . . . . 7274 1 1522 . 1 1 120 120 TYR CA C 13 57.639 0.2 . 1 . . . . . . . . 7274 1 1523 . 1 1 120 120 TYR CB C 13 44.247 0.2 . 1 . . . . . . . . 7274 1 1524 . 1 1 120 120 TYR CD1 C 13 132.644 0.2 . 1 . . . . . . . . 7274 1 1525 . 1 1 120 120 TYR CD2 C 13 132.644 0.2 . 1 . . . . . . . . 7274 1 1526 . 1 1 120 120 TYR CE1 C 13 118.4 0.2 . 1 . . . . . . . . 7274 1 1527 . 1 1 120 120 TYR CE2 C 13 118.4 0.2 . 1 . . . . . . . . 7274 1 1528 . 1 1 120 120 TYR N N 15 121.056 0.2 . 1 . . . . . . . . 7274 1 1529 . 1 1 121 121 THR H H 1 8.855 0.02 . 1 . . . . . . . . 7274 1 1530 . 1 1 121 121 THR HA H 1 5.312 0.02 . 1 . . . . . . . . 7274 1 1531 . 1 1 121 121 THR HG21 H 1 1.471 0.02 . 1 . . . . . . . . 7274 1 1532 . 1 1 121 121 THR HG22 H 1 1.471 0.02 . 1 . . . . . . . . 7274 1 1533 . 1 1 121 121 THR HG23 H 1 1.471 0.02 . 1 . . . . . . . . 7274 1 1534 . 1 1 121 121 THR C C 13 177.830 0.2 . 1 . . . . . . . . 7274 1 1535 . 1 1 121 121 THR CA C 13 60.935 0.2 . 1 . . . . . . . . 7274 1 1536 . 1 1 121 121 THR CB C 13 71.593 0.2 . 1 . . . . . . . . 7274 1 1537 . 1 1 121 121 THR CG2 C 13 23.162 0.2 . 1 . . . . . . . . 7274 1 1538 . 1 1 121 121 THR N N 15 111.135 0.2 . 1 . . . . . . . . 7274 1 1539 . 1 1 122 122 PHE H H 1 9.521 0.02 . 1 . . . . . . . . 7274 1 1540 . 1 1 122 122 PHE HA H 1 3.640 0.02 . 1 . . . . . . . . 7274 1 1541 . 1 1 122 122 PHE HB2 H 1 2.862 0.02 . 2 . . . . . . . . 7274 1 1542 . 1 1 122 122 PHE HB3 H 1 2.739 0.02 . 2 . . . . . . . . 7274 1 1543 . 1 1 122 122 PHE CE1 C 13 131.85 0.2 . 1 . . . . . . . . 7274 1 1544 . 1 1 122 122 PHE CE2 C 13 131.85 0.2 . 1 . . . . . . . . 7274 1 1545 . 1 1 122 122 PHE HE1 H 1 7.208 0.02 . 1 . . . . . . . . 7274 1 1546 . 1 1 122 122 PHE HE2 H 1 7.208 0.02 . 1 . . . . . . . . 7274 1 1547 . 1 1 122 122 PHE CD1 C 13 131.8 0.2 . 1 . . . . . . . . 7274 1 1548 . 1 1 122 122 PHE CD2 C 13 131.8 0.2 . 1 . . . . . . . . 7274 1 1549 . 1 1 122 122 PHE HD1 H 1 6.730 0.02 . 1 . . . . . . . . 7274 1 1550 . 1 1 122 122 PHE HD2 H 1 6.730 0.02 . 1 . . . . . . . . 7274 1 1551 . 1 1 122 122 PHE C C 13 174.985 0.2 . 1 . . . . . . . . 7274 1 1552 . 1 1 122 122 PHE CA C 13 60.567 0.2 . 1 . . . . . . . . 7274 1 1553 . 1 1 122 122 PHE CB C 13 38.455 0.2 . 1 . . . . . . . . 7274 1 1554 . 1 1 122 122 PHE N N 15 123.079 0.2 . 1 . . . . . . . . 7274 1 1555 . 1 1 123 123 ASP H H 1 7.766 0.02 . 1 . . . . . . . . 7274 1 1556 . 1 1 123 123 ASP HA H 1 4.242 0.02 . 1 . . . . . . . . 7274 1 1557 . 1 1 123 123 ASP HB2 H 1 2.802 0.02 . 2 . . . . . . . . 7274 1 1558 . 1 1 123 123 ASP HB3 H 1 2.099 0.02 . 2 . . . . . . . . 7274 1 1559 . 1 1 123 123 ASP C C 13 175.543 0.2 . 1 . . . . . . . . 7274 1 1560 . 1 1 123 123 ASP CA C 13 52.377 0.2 . 1 . . . . . . . . 7274 1 1561 . 1 1 123 123 ASP CB C 13 38.515 0.2 . 1 . . . . . . . . 7274 1 1562 . 1 1 123 123 ASP N N 15 116.719 0.2 . 1 . . . . . . . . 7274 1 1563 . 1 1 124 124 ASN H H 1 7.897 0.02 . 1 . . . . . . . . 7274 1 1564 . 1 1 124 124 ASN HA H 1 4.226 0.02 . 1 . . . . . . . . 7274 1 1565 . 1 1 124 124 ASN HB2 H 1 2.978 0.02 . 2 . . . . . . . . 7274 1 1566 . 1 1 124 124 ASN HB3 H 1 2.711 0.02 . 2 . . . . . . . . 7274 1 1567 . 1 1 124 124 ASN HD21 H 1 7.398 0.02 . 1 . . . . . . . . 7274 1 1568 . 1 1 124 124 ASN HD22 H 1 6.592 0.02 . 1 . . . . . . . . 7274 1 1569 . 1 1 124 124 ASN C C 13 174.399 0.2 . 1 . . . . . . . . 7274 1 1570 . 1 1 124 124 ASN CA C 13 54.903 0.2 . 1 . . . . . . . . 7274 1 1571 . 1 1 124 124 ASN CB C 13 37.137 0.2 . 1 . . . . . . . . 7274 1 1572 . 1 1 124 124 ASN N N 15 112.857 0.2 . 1 . . . . . . . . 7274 1 1573 . 1 1 124 124 ASN ND2 N 15 112.794 0.2 . 1 . . . . . . . . 7274 1 1574 . 1 1 125 125 SER H H 1 8.016 0.02 . 1 . . . . . . . . 7274 1 1575 . 1 1 125 125 SER HA H 1 4.559 0.02 . 1 . . . . . . . . 7274 1 1576 . 1 1 125 125 SER HB2 H 1 3.937 0.02 . 2 . . . . . . . . 7274 1 1577 . 1 1 125 125 SER HB3 H 1 3.753 0.02 . 2 . . . . . . . . 7274 1 1578 . 1 1 125 125 SER C C 13 174.090 0.2 . 1 . . . . . . . . 7274 1 1579 . 1 1 125 125 SER CA C 13 58.790 0.2 . 1 . . . . . . . . 7274 1 1580 . 1 1 125 125 SER CB C 13 63.090 0.2 . 1 . . . . . . . . 7274 1 1581 . 1 1 125 125 SER N N 15 115.085 0.2 . 1 . . . . . . . . 7274 1 1582 . 1 1 126 126 LEU H H 1 8.888 0.02 . 1 . . . . . . . . 7274 1 1583 . 1 1 126 126 LEU HA H 1 4.165 0.02 . 1 . . . . . . . . 7274 1 1584 . 1 1 126 126 LEU HB3 H 1 1.857 0.02 . 1 . . . . . . . . 7274 1 1585 . 1 1 126 126 LEU HB2 H 1 1.308 0.02 . 1 . . . . . . . . 7274 1 1586 . 1 1 126 126 LEU HG H 1 1.177 0.02 . 1 . . . . . . . . 7274 1 1587 . 1 1 126 126 LEU HD11 H 1 0.601 0.02 . 1 . . . . . . . . 7274 1 1588 . 1 1 126 126 LEU HD12 H 1 0.601 0.02 . 1 . . . . . . . . 7274 1 1589 . 1 1 126 126 LEU HD13 H 1 0.601 0.02 . 1 . . . . . . . . 7274 1 1590 . 1 1 126 126 LEU HD21 H 1 0.829 0.02 . 1 . . . . . . . . 7274 1 1591 . 1 1 126 126 LEU HD22 H 1 0.829 0.02 . 1 . . . . . . . . 7274 1 1592 . 1 1 126 126 LEU HD23 H 1 0.829 0.02 . 1 . . . . . . . . 7274 1 1593 . 1 1 126 126 LEU C C 13 176.879 0.2 . 1 . . . . . . . . 7274 1 1594 . 1 1 126 126 LEU CA C 13 54.990 0.2 . 1 . . . . . . . . 7274 1 1595 . 1 1 126 126 LEU CB C 13 41.559 0.2 . 1 . . . . . . . . 7274 1 1596 . 1 1 126 126 LEU CG C 13 27.306 0.2 . 1 . . . . . . . . 7274 1 1597 . 1 1 126 126 LEU CD1 C 13 23.095 0.2 . 1 . . . . . . . . 7274 1 1598 . 1 1 126 126 LEU CD2 C 13 25.987 0.2 . 1 . . . . . . . . 7274 1 1599 . 1 1 126 126 LEU N N 15 128.393 0.2 . 1 . . . . . . . . 7274 1 1600 . 1 1 127 127 LEU H H 1 9.152 0.02 . 1 . . . . . . . . 7274 1 1601 . 1 1 127 127 LEU HA H 1 4.412 0.02 . 1 . . . . . . . . 7274 1 1602 . 1 1 127 127 LEU HB2 H 1 1.476 0.02 . 2 . . . . . . . . 7274 1 1603 . 1 1 127 127 LEU HB3 H 1 1.260 0.02 . 2 . . . . . . . . 7274 1 1604 . 1 1 127 127 LEU HG H 1 1.647 0.02 . 1 . . . . . . . . 7274 1 1605 . 1 1 127 127 LEU HD11 H 1 0.790 0.02 . 1 . . . . . . . . 7274 1 1606 . 1 1 127 127 LEU HD12 H 1 0.790 0.02 . 1 . . . . . . . . 7274 1 1607 . 1 1 127 127 LEU HD13 H 1 0.790 0.02 . 1 . . . . . . . . 7274 1 1608 . 1 1 127 127 LEU HD21 H 1 0.741 0.02 . 1 . . . . . . . . 7274 1 1609 . 1 1 127 127 LEU HD22 H 1 0.741 0.02 . 1 . . . . . . . . 7274 1 1610 . 1 1 127 127 LEU HD23 H 1 0.741 0.02 . 1 . . . . . . . . 7274 1 1611 . 1 1 127 127 LEU C C 13 176.348 0.2 . 1 . . . . . . . . 7274 1 1612 . 1 1 127 127 LEU CA C 13 55.497 0.2 . 1 . . . . . . . . 7274 1 1613 . 1 1 127 127 LEU CB C 13 45.369 0.2 . 1 . . . . . . . . 7274 1 1614 . 1 1 127 127 LEU CG C 13 27.016 0.2 . 1 . . . . . . . . 7274 1 1615 . 1 1 127 127 LEU CD1 C 13 25.865 0.2 . 1 . . . . . . . . 7274 1 1616 . 1 1 127 127 LEU CD2 C 13 23.825 0.2 . 1 . . . . . . . . 7274 1 1617 . 1 1 127 127 LEU N N 15 128.971 0.2 . 1 . . . . . . . . 7274 1 1618 . 1 1 128 128 PHE H H 1 7.352 0.02 . 1 . . . . . . . . 7274 1 1619 . 1 1 128 128 PHE HA H 1 4.732 0.02 . 1 . . . . . . . . 7274 1 1620 . 1 1 128 128 PHE HB2 H 1 3.128 0.02 . 2 . . . . . . . . 7274 1 1621 . 1 1 128 128 PHE HB3 H 1 2.308 0.02 . 2 . . . . . . . . 7274 1 1622 . 1 1 128 128 PHE HD1 H 1 6.970 0.02 . 1 . . . . . . . . 7274 1 1623 . 1 1 128 128 PHE HD2 H 1 6.970 0.02 . 1 . . . . . . . . 7274 1 1624 . 1 1 128 128 PHE HE1 H 1 7.170 0.02 . 1 . . . . . . . . 7274 1 1625 . 1 1 128 128 PHE HE2 H 1 7.170 0.02 . 1 . . . . . . . . 7274 1 1626 . 1 1 128 128 PHE CD1 C 13 131.4 0.2 . 1 . . . . . . . . 7274 1 1627 . 1 1 128 128 PHE CD2 C 13 131.4 0.2 . 1 . . . . . . . . 7274 1 1628 . 1 1 128 128 PHE CE1 C 13 131.3 0.2 . 1 . . . . . . . . 7274 1 1629 . 1 1 128 128 PHE CE2 C 13 131.3 0.2 . 1 . . . . . . . . 7274 1 1630 . 1 1 128 128 PHE C C 13 172.090 0.2 . 1 . . . . . . . . 7274 1 1631 . 1 1 128 128 PHE CA C 13 57.943 0.2 . 1 . . . . . . . . 7274 1 1632 . 1 1 128 128 PHE CB C 13 42.082 0.2 . 1 . . . . . . . . 7274 1 1633 . 1 1 128 128 PHE N N 15 115.380 0.2 . 1 . . . . . . . . 7274 1 1634 . 1 1 129 129 THR H H 1 6.921 0.02 . 1 . . . . . . . . 7274 1 1635 . 1 1 129 129 THR HA H 1 4.947 0.02 . 1 . . . . . . . . 7274 1 1636 . 1 1 129 129 THR HB H 1 3.486 0.02 . 1 . . . . . . . . 7274 1 1637 . 1 1 129 129 THR HG21 H 1 0.719 0.02 . 1 . . . . . . . . 7274 1 1638 . 1 1 129 129 THR HG22 H 1 0.719 0.02 . 1 . . . . . . . . 7274 1 1639 . 1 1 129 129 THR HG23 H 1 0.719 0.02 . 1 . . . . . . . . 7274 1 1640 . 1 1 129 129 THR C C 13 171.595 0.2 . 1 . . . . . . . . 7274 1 1641 . 1 1 129 129 THR CA C 13 61.019 0.2 . 1 . . . . . . . . 7274 1 1642 . 1 1 129 129 THR CB C 13 71.160 0.2 . 1 . . . . . . . . 7274 1 1643 . 1 1 129 129 THR CG2 C 13 21.671 0.2 . 1 . . . . . . . . 7274 1 1644 . 1 1 129 129 THR N N 15 121.616 0.2 . 1 . . . . . . . . 7274 1 1645 . 1 1 130 130 GLU H H 1 8.928 0.02 . 1 . . . . . . . . 7274 1 1646 . 1 1 130 130 GLU HA H 1 4.421 0.02 . 1 . . . . . . . . 7274 1 1647 . 1 1 130 130 GLU HB2 H 1 1.923 0.02 . 1 . . . . . . . . 7274 1 1648 . 1 1 130 130 GLU HB3 H 1 1.923 0.02 . 1 . . . . . . . . 7274 1 1649 . 1 1 130 130 GLU HG2 H 1 2.067 0.02 . 2 . . . . . . . . 7274 1 1650 . 1 1 130 130 GLU HG3 H 1 2.069 0.02 . 2 . . . . . . . . 7274 1 1651 . 1 1 130 130 GLU C C 13 174.601 0.2 . 1 . . . . . . . . 7274 1 1652 . 1 1 130 130 GLU CA C 13 53.617 0.2 . 1 . . . . . . . . 7274 1 1653 . 1 1 130 130 GLU CB C 13 33.660 0.2 . 1 . . . . . . . . 7274 1 1654 . 1 1 130 130 GLU CG C 13 35.669 0.2 . 1 . . . . . . . . 7274 1 1655 . 1 1 130 130 GLU N N 15 121.884 0.2 . 1 . . . . . . . . 7274 1 1656 . 1 1 131 131 SER H H 1 8.676 0.02 . 1 . . . . . . . . 7274 1 1657 . 1 1 131 131 SER HA H 1 4.725 0.02 . 1 . . . . . . . . 7274 1 1658 . 1 1 131 131 SER HB2 H 1 3.820 0.02 . 2 . . . . . . . . 7274 1 1659 . 1 1 131 131 SER HB3 H 1 3.785 0.02 . 2 . . . . . . . . 7274 1 1660 . 1 1 131 131 SER C C 13 176.063 0.2 . 1 . . . . . . . . 7274 1 1661 . 1 1 131 131 SER CA C 13 57.612 0.2 . 1 . . . . . . . . 7274 1 1662 . 1 1 131 131 SER CB C 13 63.789 0.2 . 1 . . . . . . . . 7274 1 1663 . 1 1 131 131 SER N N 15 117.177 0.2 . 1 . . . . . . . . 7274 1 1664 . 1 1 132 132 ILE H H 1 7.471 0.02 . 1 . . . . . . . . 7274 1 1665 . 1 1 132 132 ILE HA H 1 4.281 0.02 . 1 . . . . . . . . 7274 1 1666 . 1 1 132 132 ILE HB H 1 1.696 0.02 . 1 . . . . . . . . 7274 1 1667 . 1 1 132 132 ILE HG12 H 1 0.759 0.02 . 2 . . . . . . . . 7274 1 1668 . 1 1 132 132 ILE HG13 H 1 0.140 0.02 . 2 . . . . . . . . 7274 1 1669 . 1 1 132 132 ILE HG21 H 1 0.459 0.02 . 1 . . . . . . . . 7274 1 1670 . 1 1 132 132 ILE HG22 H 1 0.459 0.02 . 1 . . . . . . . . 7274 1 1671 . 1 1 132 132 ILE HG23 H 1 0.459 0.02 . 1 . . . . . . . . 7274 1 1672 . 1 1 132 132 ILE HD11 H 1 -0.113 0.02 . 1 . . . . . . . . 7274 1 1673 . 1 1 132 132 ILE HD12 H 1 -0.113 0.02 . 1 . . . . . . . . 7274 1 1674 . 1 1 132 132 ILE HD13 H 1 -0.113 0.02 . 1 . . . . . . . . 7274 1 1675 . 1 1 132 132 ILE C C 13 175.396 0.2 . 1 . . . . . . . . 7274 1 1676 . 1 1 132 132 ILE CA C 13 61.212 0.2 . 1 . . . . . . . . 7274 1 1677 . 1 1 132 132 ILE CB C 13 37.160 0.2 . 1 . . . . . . . . 7274 1 1678 . 1 1 132 132 ILE CG1 C 13 25.943 0.2 . 1 . . . . . . . . 7274 1 1679 . 1 1 132 132 ILE CG2 C 13 18.280 0.2 . 1 . . . . . . . . 7274 1 1680 . 1 1 132 132 ILE CD1 C 13 12.546 0.2 . 1 . . . . . . . . 7274 1 1681 . 1 1 132 132 ILE N N 15 119.438 0.2 . 1 . . . . . . . . 7274 1 1682 . 1 1 133 133 GLN H H 1 8.113 0.02 . 1 . . . . . . . . 7274 1 1683 . 1 1 133 133 GLN HA H 1 4.186 0.02 . 1 . . . . . . . . 7274 1 1684 . 1 1 133 133 GLN HB2 H 1 1.955 0.02 . 2 . . . . . . . . 7274 1 1685 . 1 1 133 133 GLN HB3 H 1 1.881 0.02 . 2 . . . . . . . . 7274 1 1686 . 1 1 133 133 GLN HG2 H 1 2.274 0.02 . 2 . . . . . . . . 7274 1 1687 . 1 1 133 133 GLN HG3 H 1 2.272 0.02 . 2 . . . . . . . . 7274 1 1688 . 1 1 133 133 GLN HE21 H 1 7.497 0.02 . 1 . . . . . . . . 7274 1 1689 . 1 1 133 133 GLN HE22 H 1 6.818 0.02 . 1 . . . . . . . . 7274 1 1690 . 1 1 133 133 GLN C C 13 175.786 0.2 . 1 . . . . . . . . 7274 1 1691 . 1 1 133 133 GLN CA C 13 56.425 0.2 . 1 . . . . . . . . 7274 1 1692 . 1 1 133 133 GLN CB C 13 29.527 0.2 . 1 . . . . . . . . 7274 1 1693 . 1 1 133 133 GLN CG C 13 33.990 0.2 . 1 . . . . . . . . 7274 1 1694 . 1 1 133 133 GLN N N 15 122.470 0.2 . 1 . . . . . . . . 7274 1 1695 . 1 1 133 133 GLN NE2 N 15 112.072 0.2 . 1 . . . . . . . . 7274 1 1696 . 1 1 134 134 LYS H H 1 8.418 0.02 . 1 . . . . . . . . 7274 1 1697 . 1 1 134 134 LYS HA H 1 4.282 0.02 . 1 . . . . . . . . 7274 1 1698 . 1 1 134 134 LYS HB2 H 1 1.775 0.02 . 2 . . . . . . . . 7274 1 1699 . 1 1 134 134 LYS HB3 H 1 1.740 0.02 . 2 . . . . . . . . 7274 1 1700 . 1 1 134 134 LYS HG2 H 1 1.405 0.02 . 2 . . . . . . . . 7274 1 1701 . 1 1 134 134 LYS HG3 H 1 1.360 0.02 . 2 . . . . . . . . 7274 1 1702 . 1 1 134 134 LYS HD2 H 1 1.623 0.02 . 1 . . . . . . . . 7274 1 1703 . 1 1 134 134 LYS HD3 H 1 1.623 0.02 . 1 . . . . . . . . 7274 1 1704 . 1 1 134 134 LYS HE2 H 1 2.933 0.02 . 1 . . . . . . . . 7274 1 1705 . 1 1 134 134 LYS HE3 H 1 2.933 0.02 . 1 . . . . . . . . 7274 1 1706 . 1 1 134 134 LYS C C 13 176.889 0.2 . 1 . . . . . . . . 7274 1 1707 . 1 1 134 134 LYS CA C 13 56.759 0.2 . 1 . . . . . . . . 7274 1 1708 . 1 1 134 134 LYS CB C 13 32.962 0.2 . 1 . . . . . . . . 7274 1 1709 . 1 1 134 134 LYS CG C 13 24.740 0.2 . 1 . . . . . . . . 7274 1 1710 . 1 1 134 134 LYS CD C 13 29.257 0.2 . 1 . . . . . . . . 7274 1 1711 . 1 1 134 134 LYS CE C 13 42.139 0.2 . 1 . . . . . . . . 7274 1 1712 . 1 1 134 134 LYS N N 15 123.084 0.2 . 1 . . . . . . . . 7274 1 1713 . 1 1 135 135 THR H H 1 8.220 0.02 . 1 . . . . . . . . 7274 1 1714 . 1 1 135 135 THR HA H 1 4.366 0.02 . 1 . . . . . . . . 7274 1 1715 . 1 1 135 135 THR HB H 1 4.178 0.02 . 1 . . . . . . . . 7274 1 1716 . 1 1 135 135 THR HG21 H 1 1.168 0.02 . 1 . . . . . . . . 7274 1 1717 . 1 1 135 135 THR HG22 H 1 1.168 0.02 . 1 . . . . . . . . 7274 1 1718 . 1 1 135 135 THR HG23 H 1 1.168 0.02 . 1 . . . . . . . . 7274 1 1719 . 1 1 135 135 THR C C 13 174.617 0.2 . 1 . . . . . . . . 7274 1 1720 . 1 1 135 135 THR CA C 13 61.867 0.2 . 1 . . . . . . . . 7274 1 1721 . 1 1 135 135 THR CB C 13 69.958 0.2 . 1 . . . . . . . . 7274 1 1722 . 1 1 135 135 THR CG2 C 13 21.608 0.2 . 1 . . . . . . . . 7274 1 1723 . 1 1 135 135 THR N N 15 116.362 0.2 . 1 . . . . . . . . 7274 1 1724 . 1 1 136 136 THR H H 1 8.159 0.02 . 1 . . . . . . . . 7274 1 1725 . 1 1 136 136 THR HA H 1 4.272 0.02 . 1 . . . . . . . . 7274 1 1726 . 1 1 136 136 THR HB H 1 4.115 0.02 . 1 . . . . . . . . 7274 1 1727 . 1 1 136 136 THR HG21 H 1 1.116 0.02 . 1 . . . . . . . . 7274 1 1728 . 1 1 136 136 THR HG22 H 1 1.116 0.02 . 1 . . . . . . . . 7274 1 1729 . 1 1 136 136 THR HG23 H 1 1.116 0.02 . 1 . . . . . . . . 7274 1 1730 . 1 1 136 136 THR C C 13 174.224 0.2 . 1 . . . . . . . . 7274 1 1731 . 1 1 136 136 THR CA C 13 61.936 0.2 . 1 . . . . . . . . 7274 1 1732 . 1 1 136 136 THR CB C 13 69.830 0.2 . 1 . . . . . . . . 7274 1 1733 . 1 1 136 136 THR CG2 C 13 21.742 0.2 . 1 . . . . . . . . 7274 1 1734 . 1 1 136 136 THR N N 15 116.630 0.2 . 1 . . . . . . . . 7274 1 1735 . 1 1 137 137 GLN H H 1 8.298 0.02 . 1 . . . . . . . . 7274 1 1736 . 1 1 137 137 GLN HA H 1 4.200 0.02 . 1 . . . . . . . . 7274 1 1737 . 1 1 137 137 GLN HB2 H 1 1.829 0.02 . 2 . . . . . . . . 7274 1 1738 . 1 1 137 137 GLN HB3 H 1 1.830 0.02 . 2 . . . . . . . . 7274 1 1739 . 1 1 137 137 GLN HG2 H 1 2.117 0.02 . 2 . . . . . . . . 7274 1 1740 . 1 1 137 137 GLN HG3 H 1 2.074 0.02 . 2 . . . . . . . . 7274 1 1741 . 1 1 137 137 GLN NE2 N 15 112.60 0.2 . 1 . . . . . . . . 7274 1 1742 . 1 1 137 137 GLN HE21 H 1 7.428 0.02 . 1 . . . . . . . . 7274 1 1743 . 1 1 137 137 GLN HE22 H 1 6.846 0.02 . 1 . . . . . . . . 7274 1 1744 . 1 1 137 137 GLN C C 13 174.982 0.2 . 1 . . . . . . . . 7274 1 1745 . 1 1 137 137 GLN CA C 13 55.660 0.2 . 1 . . . . . . . . 7274 1 1746 . 1 1 137 137 GLN CB C 13 29.626 0.2 . 1 . . . . . . . . 7274 1 1747 . 1 1 137 137 GLN CG C 13 33.798 0.2 . 1 . . . . . . . . 7274 1 1748 . 1 1 137 137 GLN N N 15 123.624 0.2 . 1 . . . . . . . . 7274 1 1749 . 1 1 138 138 ILE H H 1 8.074 0.02 . 1 . . . . . . . . 7274 1 1750 . 1 1 138 138 ILE HA H 1 4.042 0.02 . 1 . . . . . . . . 7274 1 1751 . 1 1 138 138 ILE HB H 1 1.646 0.02 . 1 . . . . . . . . 7274 1 1752 . 1 1 138 138 ILE HG12 H 1 1.301 0.02 . 2 . . . . . . . . 7274 1 1753 . 1 1 138 138 ILE HG13 H 1 1.024 0.02 . 2 . . . . . . . . 7274 1 1754 . 1 1 138 138 ILE HG21 H 1 0.703 0.02 . 1 . . . . . . . . 7274 1 1755 . 1 1 138 138 ILE HG22 H 1 0.703 0.02 . 1 . . . . . . . . 7274 1 1756 . 1 1 138 138 ILE HG23 H 1 0.703 0.02 . 1 . . . . . . . . 7274 1 1757 . 1 1 138 138 ILE HD11 H 1 0.726 0.02 . 1 . . . . . . . . 7274 1 1758 . 1 1 138 138 ILE HD12 H 1 0.726 0.02 . 1 . . . . . . . . 7274 1 1759 . 1 1 138 138 ILE HD13 H 1 0.726 0.02 . 1 . . . . . . . . 7274 1 1760 . 1 1 138 138 ILE C C 13 175.600 0.2 . 1 . . . . . . . . 7274 1 1761 . 1 1 138 138 ILE CA C 13 60.543 0.2 . 1 . . . . . . . . 7274 1 1762 . 1 1 138 138 ILE CB C 13 38.745 0.2 . 1 . . . . . . . . 7274 1 1763 . 1 1 138 138 ILE CG1 C 13 27.023 0.2 . 1 . . . . . . . . 7274 1 1764 . 1 1 138 138 ILE CG2 C 13 17.325 0.2 . 1 . . . . . . . . 7274 1 1765 . 1 1 138 138 ILE CD1 C 13 12.680 0.2 . 1 . . . . . . . . 7274 1 1766 . 1 1 138 138 ILE N N 15 122.807 0.2 . 1 . . . . . . . . 7274 1 1767 . 1 1 139 139 PHE H H 1 8.407 0.02 . 1 . . . . . . . . 7274 1 1768 . 1 1 139 139 PHE HA H 1 4.846 0.02 . 1 . . . . . . . . 7274 1 1769 . 1 1 139 139 PHE HB2 H 1 3.097 0.02 . 2 . . . . . . . . 7274 1 1770 . 1 1 139 139 PHE HB3 H 1 2.812 0.02 . 2 . . . . . . . . 7274 1 1771 . 1 1 139 139 PHE C C 13 173.885 0.2 . 1 . . . . . . . . 7274 1 1772 . 1 1 139 139 PHE CA C 13 55.494 0.2 . 1 . . . . . . . . 7274 1 1773 . 1 1 139 139 PHE CB C 13 39.014 0.2 . 1 . . . . . . . . 7274 1 1774 . 1 1 139 139 PHE N N 15 125.834 0.2 . 1 . . . . . . . . 7274 1 1775 . 1 1 140 140 PRO HA H 1 4.341 0.02 . 1 . . . . . . . . 7274 1 1776 . 1 1 140 140 PRO HB2 H 1 2.213 0.02 . 2 . . . . . . . . 7274 1 1777 . 1 1 140 140 PRO HB3 H 1 1.814 0.02 . 2 . . . . . . . . 7274 1 1778 . 1 1 140 140 PRO HG2 H 1 1.946 0.02 . 2 . . . . . . . . 7274 1 1779 . 1 1 140 140 PRO HG3 H 1 1.936 0.02 . 2 . . . . . . . . 7274 1 1780 . 1 1 140 140 PRO HD2 H 1 3.751 0.02 . 2 . . . . . . . . 7274 1 1781 . 1 1 140 140 PRO HD3 H 1 3.609 0.02 . 2 . . . . . . . . 7274 1 1782 . 1 1 140 140 PRO C C 13 176.748 0.2 . 1 . . . . . . . . 7274 1 1783 . 1 1 140 140 PRO CA C 13 63.152 0.2 . 1 . . . . . . . . 7274 1 1784 . 1 1 140 140 PRO CB C 13 32.065 0.2 . 1 . . . . . . . . 7274 1 1785 . 1 1 140 140 PRO CG C 13 27.332 0.2 . 1 . . . . . . . . 7274 1 1786 . 1 1 140 140 PRO CD C 13 50.757 0.2 . 1 . . . . . . . . 7274 1 1787 . 1 1 141 141 ARG H H 1 8.382 0.02 . 1 . . . . . . . . 7274 1 1788 . 1 1 141 141 ARG HA H 1 4.238 0.02 . 1 . . . . . . . . 7274 1 1789 . 1 1 141 141 ARG HB2 H 1 1.767 0.02 . 2 . . . . . . . . 7274 1 1790 . 1 1 141 141 ARG HB3 H 1 1.711 0.02 . 2 . . . . . . . . 7274 1 1791 . 1 1 141 141 ARG HG2 H 1 1.600 0.02 . 2 . . . . . . . . 7274 1 1792 . 1 1 141 141 ARG HG3 H 1 1.540 0.02 . 2 . . . . . . . . 7274 1 1793 . 1 1 141 141 ARG HD2 H 1 3.143 0.02 . 1 . . . . . . . . 7274 1 1794 . 1 1 141 141 ARG HD3 H 1 3.143 0.02 . 1 . . . . . . . . 7274 1 1795 . 1 1 141 141 ARG HE H 1 7.323 0.02 . 1 . . . . . . . . 7274 1 1796 . 1 1 141 141 ARG C C 13 176.288 0.2 . 1 . . . . . . . . 7274 1 1797 . 1 1 141 141 ARG CA C 13 56.175 0.2 . 1 . . . . . . . . 7274 1 1798 . 1 1 141 141 ARG CB C 13 30.528 0.2 . 1 . . . . . . . . 7274 1 1799 . 1 1 141 141 ARG CG C 13 27.204 0.2 . 1 . . . . . . . . 7274 1 1800 . 1 1 141 141 ARG CD C 13 43.373 0.2 . 1 . . . . . . . . 7274 1 1801 . 1 1 141 141 ARG N N 15 121.369 0.2 . 1 . . . . . . . . 7274 1 1802 . 1 1 141 141 ARG NE N 15 84.062 0.2 . 1 . . . . . . . . 7274 1 1803 . 1 1 142 142 LEU H H 1 8.243 0.02 . 1 . . . . . . . . 7274 1 1804 . 1 1 142 142 LEU HA H 1 4.260 0.02 . 1 . . . . . . . . 7274 1 1805 . 1 1 142 142 LEU HB2 H 1 1.526 0.02 . 2 . . . . . . . . 7274 1 1806 . 1 1 142 142 LEU HB3 H 1 1.413 0.02 . 2 . . . . . . . . 7274 1 1807 . 1 1 142 142 LEU HG H 1 1.477 0.02 . 1 . . . . . . . . 7274 1 1808 . 1 1 142 142 LEU HD11 H 1 0.820 0.02 . 1 . . . . . . . . 7274 1 1809 . 1 1 142 142 LEU HD12 H 1 0.820 0.02 . 1 . . . . . . . . 7274 1 1810 . 1 1 142 142 LEU HD13 H 1 0.820 0.02 . 1 . . . . . . . . 7274 1 1811 . 1 1 142 142 LEU HD21 H 1 0.756 0.02 . 1 . . . . . . . . 7274 1 1812 . 1 1 142 142 LEU HD22 H 1 0.756 0.02 . 1 . . . . . . . . 7274 1 1813 . 1 1 142 142 LEU HD23 H 1 0.756 0.02 . 1 . . . . . . . . 7274 1 1814 . 1 1 142 142 LEU C C 13 177.014 0.2 . 1 . . . . . . . . 7274 1 1815 . 1 1 142 142 LEU CA C 13 54.881 0.2 . 1 . . . . . . . . 7274 1 1816 . 1 1 142 142 LEU CB C 13 42.272 0.2 . 1 . . . . . . . . 7274 1 1817 . 1 1 142 142 LEU CG C 13 26.924 0.2 . 1 . . . . . . . . 7274 1 1818 . 1 1 142 142 LEU CD1 C 13 24.878 0.2 . 1 . . . . . . . . 7274 1 1819 . 1 1 142 142 LEU CD2 C 13 23.439 0.2 . 1 . . . . . . . . 7274 1 1820 . 1 1 142 142 LEU N N 15 123.748 0.2 . 1 . . . . . . . . 7274 1 1821 . 1 1 143 143 GLU H H 1 8.268 0.02 . 1 . . . . . . . . 7274 1 1822 . 1 1 143 143 GLU HA H 1 4.157 0.02 . 1 . . . . . . . . 7274 1 1823 . 1 1 143 143 GLU HB2 H 1 1.812 0.02 . 2 . . . . . . . . 7274 1 1824 . 1 1 143 143 GLU HB3 H 1 1.777 0.02 . 2 . . . . . . . . 7274 1 1825 . 1 1 143 143 GLU HG2 H 1 2.156 0.02 . 2 . . . . . . . . 7274 1 1826 . 1 1 143 143 GLU HG3 H 1 2.101 0.02 . 2 . . . . . . . . 7274 1 1827 . 1 1 143 143 GLU C C 13 176.094 0.2 . 1 . . . . . . . . 7274 1 1828 . 1 1 143 143 GLU CA C 13 55.967 0.2 . 1 . . . . . . . . 7274 1 1829 . 1 1 143 143 GLU CB C 13 30.233 0.2 . 1 . . . . . . . . 7274 1 1830 . 1 1 143 143 GLU CG C 13 35.555 0.2 . 1 . . . . . . . . 7274 1 1831 . 1 1 143 143 GLU N N 15 121.960 0.2 . 1 . . . . . . . . 7274 1 1832 . 1 1 144 144 HIS H H 1 8.539 0.02 . 1 . . . . . . . . 7274 1 1833 . 1 1 144 144 HIS HA H 1 4.572 0.02 . 1 . . . . . . . . 7274 1 1834 . 1 1 144 144 HIS C C 13 174.270 0.2 . 1 . . . . . . . . 7274 1 1835 . 1 1 144 144 HIS CA C 13 55.168 0.2 . 1 . . . . . . . . 7274 1 1836 . 1 1 144 144 HIS CB C 13 28.876 0.2 . 1 . . . . . . . . 7274 1 1837 . 1 1 144 144 HIS N N 15 119.647 0.2 . 1 . . . . . . . . 7274 1 1838 . 1 1 145 145 HIS H H 1 8.572 0.02 . 1 . . . . . . . . 7274 1 1839 . 1 1 145 145 HIS HA H 1 4.577 0.02 . 1 . . . . . . . . 7274 1 1840 . 1 1 145 145 HIS C C 13 174.227 0.2 . 1 . . . . . . . . 7274 1 1841 . 1 1 145 145 HIS CA C 13 55.294 0.2 . 1 . . . . . . . . 7274 1 1842 . 1 1 145 145 HIS CB C 13 28.994 0.2 . 1 . . . . . . . . 7274 1 1843 . 1 1 145 145 HIS N N 15 119.358 0.2 . 1 . . . . . . . . 7274 1 1844 . 1 1 146 146 HIS H H 1 8.651 0.02 . 1 . . . . . . . . 7274 1 1845 . 1 1 146 146 HIS HA H 1 4.602 0.02 . 1 . . . . . . . . 7274 1 1846 . 1 1 146 146 HIS C C 13 174.219 0.2 . 1 . . . . . . . . 7274 1 1847 . 1 1 146 146 HIS CA C 13 55.310 0.2 . 1 . . . . . . . . 7274 1 1848 . 1 1 146 146 HIS CB C 13 29.038 0.2 . 1 . . . . . . . . 7274 1 1849 . 1 1 146 146 HIS N N 15 119.934 0.2 . 1 . . . . . . . . 7274 1 1850 . 1 1 147 147 HIS H H 1 8.674 0.02 . 1 . . . . . . . . 7274 1 1851 . 1 1 147 147 HIS HA H 1 4.603 0.02 . 1 . . . . . . . . 7274 1 1852 . 1 1 147 147 HIS C C 13 174.126 0.2 . 1 . . . . . . . . 7274 1 1853 . 1 1 147 147 HIS CA C 13 55.316 0.2 . 1 . . . . . . . . 7274 1 1854 . 1 1 147 147 HIS CB C 13 29.131 0.2 . 1 . . . . . . . . 7274 1 1855 . 1 1 147 147 HIS N N 15 120.621 0.2 . 1 . . . . . . . . 7274 1 1856 . 1 1 148 148 HIS H H 1 8.554 0.02 . 1 . . . . . . . . 7274 1 1857 . 1 1 148 148 HIS HA H 1 4.578 0.02 . 1 . . . . . . . . 7274 1 1858 . 1 1 148 148 HIS C C 13 173.615 0.2 . 1 . . . . . . . . 7274 1 1859 . 1 1 148 148 HIS CA C 13 55.447 0.2 . 1 . . . . . . . . 7274 1 1860 . 1 1 148 148 HIS CB C 13 29.219 0.2 . 1 . . . . . . . . 7274 1 1861 . 1 1 148 148 HIS N N 15 120.738 0.2 . 1 . . . . . . . . 7274 1 stop_ save_