data_5557 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5557 _Entry.Title ; Solution NMR structure of the outer membrane enzyme PagP in DPC micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-10-10 _Entry.Accession_date 2002-10-10 _Entry.Last_release_date 2002-12-27 _Entry.Original_release_date 2002-12-27 _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. Hwang . M. . 5557 2 W.-Y. Choy . . . 5557 3 E. Lo . I. . 5557 4 L. Chen . . . 5557 5 J. Forman-Kay . D. . 5557 6 C. Raetz . R.H. . 5557 7 G. Prive . G. . 5557 8 R. Bishop . E. . 5557 9 L. Kay . E. . 5557 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 5557 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 291 5557 '13C chemical shifts' 889 5557 '15N chemical shifts' 291 5557 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 . . 2002-12-27 2002-10-10 original author . 5557 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5557 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22269916 _Citation.DOI . _Citation.PubMed_ID 12357033 _Citation.Full_citation . _Citation.Title 'Solution Structure and Dynamics of the Outer Membrane Enzyme PagP by NMR' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume 99 _Citation.Journal_issue 21 _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 13560 _Citation.Page_last 13565 _Citation.Year 2002 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 P. Hwang . M. . 5557 1 2 W.-Y. Choy . . . 5557 1 3 E. Lo . I. . 5557 1 4 L. Chen . . . 5557 1 5 J. Forman-Kay . D. . 5557 1 6 C. Raetz . R.H. . 5557 1 7 G. Prive . G. . 5557 1 8 R. Bishop . E. . 5557 1 9 L. Kay . E. . 5557 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'beta barrel' 5557 1 Palmitoyltransferase 5557 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_PagP _Assembly.Sf_category assembly _Assembly.Sf_framecode system_PagP _Assembly.Entry_ID 5557 _Assembly.ID 1 _Assembly.Name 'CrcA protein' _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 5557 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 'CrcA protein' 1 $PagP . . . native . . . . . 5557 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1MM4 . . . . . . 5557 1 . PDB 1MM5 . . . . . . 5557 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'CrcA protein' system 5557 1 'PAGP enzyme' abbreviation 5557 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PagP _Entity.Sf_category entity _Entity.Sf_framecode PagP _Entity.Entry_ID 5557 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PhoPQ-activated gene P' _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 ; MNADEWMTTFRENIAQTWQQ PEHYDLYIPAITWHARFAYD KEKTDRYNERPWGGGFGLSR WDEKGNWHGLYAMAFKDSWN KWEPIAGYGWESTWRPLADE NFHLGLGFTAGVTARDNWNY IPLPVLLPLASVGYGPVTFQ MTYIPGTYNNGNVYFAWMRF QFLEHHHHHH ; _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 170 _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 BMRB 6234 . PagP . . . . . 100.00 170 100.00 100.00 2.37e-122 . . . . 5557 1 2 no PDB 1MM4 . "Solution Nmr Structure Of The Outer Membrane Enzyme Pagp In Dpc Micelles" . . . . . 100.00 170 100.00 100.00 2.37e-122 . . . . 5557 1 3 no PDB 1MM5 . "Solution Nmr Structure Of The Outer Membrane Enzyme Pagp In Og Micelles" . . . . . 100.00 170 100.00 100.00 2.37e-122 . . . . 5557 1 4 no PDB 1THQ . "Crystal Structure Of Outer Membrane Enzyme Pagp" . . . . . 100.00 170 100.00 100.00 2.37e-122 . . . . 5557 1 5 no PDB 3GP6 . "Crystal Structure Of Pagp In SdsMPD" . . . . . 95.88 163 100.00 100.00 4.15e-116 . . . . 5557 1 6 no DBJ BAA35265 . "palmitoyl transferase for Lipid A [Escherichia coli str. K-12 substr. W3110]" . . . . . 94.71 186 100.00 100.00 1.67e-115 . . . . 5557 1 7 no DBJ BAB34084 . "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 94.71 186 99.38 99.38 5.68e-115 . . . . 5557 1 8 no DBJ BAG76214 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 94.71 186 99.38 99.38 1.91e-114 . . . . 5557 1 9 no DBJ BAI24026 . "palmitoyl transferase CrcA for Lipid A [Escherichia coli O26:H11 str. 11368]" . . . . . 94.71 186 100.00 100.00 1.67e-115 . . . . 5557 1 10 no DBJ BAI29493 . "palmitoyl transferase CrcA for Lipid A [Escherichia coli O103:H2 str. 12009]" . . . . . 94.71 186 100.00 100.00 1.67e-115 . . . . 5557 1 11 no EMBL CAP75122 . "Protein crcA [Escherichia coli LF82]" . . . . . 94.71 186 98.76 98.76 9.84e-114 . . . . 5557 1 12 no EMBL CAQ31098 . "PagP monomer, subunit of palmitoyl transferase for Lipid A [Escherichia coli BL21(DE3)]" . . . . . 94.71 186 100.00 100.00 1.67e-115 . . . . 5557 1 13 no EMBL CAQ97476 . "palmitoyl transferase for Lipid A [Escherichia coli IAI1]" . . . . . 94.71 186 100.00 100.00 1.67e-115 . . . . 5557 1 14 no EMBL CAR02004 . "palmitoyl transferase for Lipid A [Escherichia coli S88]" . . . . . 94.71 186 98.14 98.14 1.70e-112 . . . . 5557 1 15 no EMBL CAR06827 . "palmitoyl transferase for Lipid A [Escherichia coli ED1a]" . . . . . 94.71 186 98.14 98.14 8.11e-113 . . . . 5557 1 16 no GB AAA67555 . "putative [Escherichia coli str. K-12 substr. W3110]" . . . . . 94.71 186 100.00 100.00 1.67e-115 . . . . 5557 1 17 no GB AAB40822 . "hypothetical protein [Escherichia coli]" . . . . . 94.71 186 100.00 100.00 1.67e-115 . . . . 5557 1 18 no GB AAC73723 . "phospholipid:lipid A palmitoyltransferase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 94.71 186 100.00 100.00 1.67e-115 . . . . 5557 1 19 no GB AAG54957 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 94.71 186 99.38 99.38 5.68e-115 . . . . 5557 1 20 no GB AAN42294 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 94.71 186 99.38 99.38 4.15e-114 . . . . 5557 1 21 no REF NP_286349 . "palmitoyl transferase [Escherichia coli O157:H7 str. EDL933]" . . . . . 94.71 186 99.38 99.38 5.68e-115 . . . . 5557 1 22 no REF NP_308688 . "palmitoyl transferase [Escherichia coli O157:H7 str. Sakai]" . . . . . 94.71 186 99.38 99.38 5.68e-115 . . . . 5557 1 23 no REF NP_415155 . "phospholipid:lipid A palmitoyltransferase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 94.71 186 100.00 100.00 1.67e-115 . . . . 5557 1 24 no REF NP_706587 . "phospholipid:lipid A palmitoyltransferase [Shigella flexneri 2a str. 301]" . . . . . 94.71 186 99.38 99.38 4.15e-114 . . . . 5557 1 25 no REF NP_752642 . "palmitoyl transferase [Escherichia coli CFT073]" . . . . . 94.71 186 98.76 98.76 9.84e-114 . . . . 5557 1 26 no SP D2AA19 . "RecName: Full=Lipid A palmitoyltransferase PagP; AltName: Full=Lipid A acylation protein; Flags: Precursor [Shigella flexneri 2" . . . . . 94.71 186 99.38 99.38 4.15e-114 . . . . 5557 1 27 no SP E0J1Q4 . "RecName: Full=Lipid A palmitoyltransferase PagP; AltName: Full=Lipid A acylation protein; Flags: Precursor [Escherichia coli W]" . . . . . 94.71 186 99.38 99.38 4.15e-114 . . . . 5557 1 28 no SP E8Y6Y6 . "RecName: Full=Lipid A palmitoyltransferase PagP; AltName: Full=Lipid A acylation protein; Flags: Precursor [Escherichia coli KO" . . . . . 94.71 186 99.38 99.38 4.15e-114 . . . . 5557 1 29 no SP P37001 . "RecName: Full=Lipid A palmitoyltransferase PagP; AltName: Full=Antimicrobial peptide resistance; AltName: Full=Lipid A acylatio" . . . . . 94.71 186 100.00 100.00 1.67e-115 . . . . 5557 1 30 no SP Q0T6N3 . "RecName: Full=Lipid A palmitoyltransferase PagP; AltName: Full=Lipid A acylation protein; Flags: Precursor [Shigella flexneri 5" . . . . . 94.71 186 99.38 99.38 4.15e-114 . . . . 5557 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PhoPQ-activated gene P' common 5557 1 PAGP abbreviation 5557 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 . 5557 1 2 . ASN . 5557 1 3 . ALA . 5557 1 4 . ASP . 5557 1 5 . GLU . 5557 1 6 . TRP . 5557 1 7 . MET . 5557 1 8 . THR . 5557 1 9 . THR . 5557 1 10 . PHE . 5557 1 11 . ARG . 5557 1 12 . GLU . 5557 1 13 . ASN . 5557 1 14 . ILE . 5557 1 15 . ALA . 5557 1 16 . GLN . 5557 1 17 . THR . 5557 1 18 . TRP . 5557 1 19 . GLN . 5557 1 20 . GLN . 5557 1 21 . PRO . 5557 1 22 . GLU . 5557 1 23 . HIS . 5557 1 24 . TYR . 5557 1 25 . ASP . 5557 1 26 . LEU . 5557 1 27 . TYR . 5557 1 28 . ILE . 5557 1 29 . PRO . 5557 1 30 . ALA . 5557 1 31 . ILE . 5557 1 32 . THR . 5557 1 33 . TRP . 5557 1 34 . HIS . 5557 1 35 . ALA . 5557 1 36 . ARG . 5557 1 37 . PHE . 5557 1 38 . ALA . 5557 1 39 . TYR . 5557 1 40 . ASP . 5557 1 41 . LYS . 5557 1 42 . GLU . 5557 1 43 . LYS . 5557 1 44 . THR . 5557 1 45 . ASP . 5557 1 46 . ARG . 5557 1 47 . TYR . 5557 1 48 . ASN . 5557 1 49 . GLU . 5557 1 50 . ARG . 5557 1 51 . PRO . 5557 1 52 . TRP . 5557 1 53 . GLY . 5557 1 54 . GLY . 5557 1 55 . GLY . 5557 1 56 . PHE . 5557 1 57 . GLY . 5557 1 58 . LEU . 5557 1 59 . SER . 5557 1 60 . ARG . 5557 1 61 . TRP . 5557 1 62 . ASP . 5557 1 63 . GLU . 5557 1 64 . LYS . 5557 1 65 . GLY . 5557 1 66 . ASN . 5557 1 67 . TRP . 5557 1 68 . HIS . 5557 1 69 . GLY . 5557 1 70 . LEU . 5557 1 71 . TYR . 5557 1 72 . ALA . 5557 1 73 . MET . 5557 1 74 . ALA . 5557 1 75 . PHE . 5557 1 76 . LYS . 5557 1 77 . ASP . 5557 1 78 . SER . 5557 1 79 . TRP . 5557 1 80 . ASN . 5557 1 81 . LYS . 5557 1 82 . TRP . 5557 1 83 . GLU . 5557 1 84 . PRO . 5557 1 85 . ILE . 5557 1 86 . ALA . 5557 1 87 . GLY . 5557 1 88 . TYR . 5557 1 89 . GLY . 5557 1 90 . TRP . 5557 1 91 . GLU . 5557 1 92 . SER . 5557 1 93 . THR . 5557 1 94 . TRP . 5557 1 95 . ARG . 5557 1 96 . PRO . 5557 1 97 . LEU . 5557 1 98 . ALA . 5557 1 99 . ASP . 5557 1 100 . GLU . 5557 1 101 . ASN . 5557 1 102 . PHE . 5557 1 103 . HIS . 5557 1 104 . LEU . 5557 1 105 . GLY . 5557 1 106 . LEU . 5557 1 107 . GLY . 5557 1 108 . PHE . 5557 1 109 . THR . 5557 1 110 . ALA . 5557 1 111 . GLY . 5557 1 112 . VAL . 5557 1 113 . THR . 5557 1 114 . ALA . 5557 1 115 . ARG . 5557 1 116 . ASP . 5557 1 117 . ASN . 5557 1 118 . TRP . 5557 1 119 . ASN . 5557 1 120 . TYR . 5557 1 121 . ILE . 5557 1 122 . PRO . 5557 1 123 . LEU . 5557 1 124 . PRO . 5557 1 125 . VAL . 5557 1 126 . LEU . 5557 1 127 . LEU . 5557 1 128 . PRO . 5557 1 129 . LEU . 5557 1 130 . ALA . 5557 1 131 . SER . 5557 1 132 . VAL . 5557 1 133 . GLY . 5557 1 134 . TYR . 5557 1 135 . GLY . 5557 1 136 . PRO . 5557 1 137 . VAL . 5557 1 138 . THR . 5557 1 139 . PHE . 5557 1 140 . GLN . 5557 1 141 . MET . 5557 1 142 . THR . 5557 1 143 . TYR . 5557 1 144 . ILE . 5557 1 145 . PRO . 5557 1 146 . GLY . 5557 1 147 . THR . 5557 1 148 . TYR . 5557 1 149 . ASN . 5557 1 150 . ASN . 5557 1 151 . GLY . 5557 1 152 . ASN . 5557 1 153 . VAL . 5557 1 154 . TYR . 5557 1 155 . PHE . 5557 1 156 . ALA . 5557 1 157 . TRP . 5557 1 158 . MET . 5557 1 159 . ARG . 5557 1 160 . PHE . 5557 1 161 . GLN . 5557 1 162 . PHE . 5557 1 163 . LEU . 5557 1 164 . GLU . 5557 1 165 . HIS . 5557 1 166 . HIS . 5557 1 167 . HIS . 5557 1 168 . HIS . 5557 1 169 . HIS . 5557 1 170 . HIS . 5557 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 5557 1 . ASN 2 2 5557 1 . ALA 3 3 5557 1 . ASP 4 4 5557 1 . GLU 5 5 5557 1 . TRP 6 6 5557 1 . MET 7 7 5557 1 . THR 8 8 5557 1 . THR 9 9 5557 1 . PHE 10 10 5557 1 . ARG 11 11 5557 1 . GLU 12 12 5557 1 . ASN 13 13 5557 1 . ILE 14 14 5557 1 . ALA 15 15 5557 1 . GLN 16 16 5557 1 . THR 17 17 5557 1 . TRP 18 18 5557 1 . GLN 19 19 5557 1 . GLN 20 20 5557 1 . PRO 21 21 5557 1 . GLU 22 22 5557 1 . HIS 23 23 5557 1 . TYR 24 24 5557 1 . ASP 25 25 5557 1 . LEU 26 26 5557 1 . TYR 27 27 5557 1 . ILE 28 28 5557 1 . PRO 29 29 5557 1 . ALA 30 30 5557 1 . ILE 31 31 5557 1 . THR 32 32 5557 1 . TRP 33 33 5557 1 . HIS 34 34 5557 1 . ALA 35 35 5557 1 . ARG 36 36 5557 1 . PHE 37 37 5557 1 . ALA 38 38 5557 1 . TYR 39 39 5557 1 . ASP 40 40 5557 1 . LYS 41 41 5557 1 . GLU 42 42 5557 1 . LYS 43 43 5557 1 . THR 44 44 5557 1 . ASP 45 45 5557 1 . ARG 46 46 5557 1 . TYR 47 47 5557 1 . ASN 48 48 5557 1 . GLU 49 49 5557 1 . ARG 50 50 5557 1 . PRO 51 51 5557 1 . TRP 52 52 5557 1 . GLY 53 53 5557 1 . GLY 54 54 5557 1 . GLY 55 55 5557 1 . PHE 56 56 5557 1 . GLY 57 57 5557 1 . LEU 58 58 5557 1 . SER 59 59 5557 1 . ARG 60 60 5557 1 . TRP 61 61 5557 1 . ASP 62 62 5557 1 . GLU 63 63 5557 1 . LYS 64 64 5557 1 . GLY 65 65 5557 1 . ASN 66 66 5557 1 . TRP 67 67 5557 1 . HIS 68 68 5557 1 . GLY 69 69 5557 1 . LEU 70 70 5557 1 . TYR 71 71 5557 1 . ALA 72 72 5557 1 . MET 73 73 5557 1 . ALA 74 74 5557 1 . PHE 75 75 5557 1 . LYS 76 76 5557 1 . ASP 77 77 5557 1 . SER 78 78 5557 1 . TRP 79 79 5557 1 . ASN 80 80 5557 1 . LYS 81 81 5557 1 . TRP 82 82 5557 1 . GLU 83 83 5557 1 . PRO 84 84 5557 1 . ILE 85 85 5557 1 . ALA 86 86 5557 1 . GLY 87 87 5557 1 . TYR 88 88 5557 1 . GLY 89 89 5557 1 . TRP 90 90 5557 1 . GLU 91 91 5557 1 . SER 92 92 5557 1 . THR 93 93 5557 1 . TRP 94 94 5557 1 . ARG 95 95 5557 1 . PRO 96 96 5557 1 . LEU 97 97 5557 1 . ALA 98 98 5557 1 . ASP 99 99 5557 1 . GLU 100 100 5557 1 . ASN 101 101 5557 1 . PHE 102 102 5557 1 . HIS 103 103 5557 1 . LEU 104 104 5557 1 . GLY 105 105 5557 1 . LEU 106 106 5557 1 . GLY 107 107 5557 1 . PHE 108 108 5557 1 . THR 109 109 5557 1 . ALA 110 110 5557 1 . GLY 111 111 5557 1 . VAL 112 112 5557 1 . THR 113 113 5557 1 . ALA 114 114 5557 1 . ARG 115 115 5557 1 . ASP 116 116 5557 1 . ASN 117 117 5557 1 . TRP 118 118 5557 1 . ASN 119 119 5557 1 . TYR 120 120 5557 1 . ILE 121 121 5557 1 . PRO 122 122 5557 1 . LEU 123 123 5557 1 . PRO 124 124 5557 1 . VAL 125 125 5557 1 . LEU 126 126 5557 1 . LEU 127 127 5557 1 . PRO 128 128 5557 1 . LEU 129 129 5557 1 . ALA 130 130 5557 1 . SER 131 131 5557 1 . VAL 132 132 5557 1 . GLY 133 133 5557 1 . TYR 134 134 5557 1 . GLY 135 135 5557 1 . PRO 136 136 5557 1 . VAL 137 137 5557 1 . THR 138 138 5557 1 . PHE 139 139 5557 1 . GLN 140 140 5557 1 . MET 141 141 5557 1 . THR 142 142 5557 1 . TYR 143 143 5557 1 . ILE 144 144 5557 1 . PRO 145 145 5557 1 . GLY 146 146 5557 1 . THR 147 147 5557 1 . TYR 148 148 5557 1 . ASN 149 149 5557 1 . ASN 150 150 5557 1 . GLY 151 151 5557 1 . ASN 152 152 5557 1 . VAL 153 153 5557 1 . TYR 154 154 5557 1 . PHE 155 155 5557 1 . ALA 156 156 5557 1 . TRP 157 157 5557 1 . MET 158 158 5557 1 . ARG 159 159 5557 1 . PHE 160 160 5557 1 . GLN 161 161 5557 1 . PHE 162 162 5557 1 . LEU 163 163 5557 1 . GLU 164 164 5557 1 . HIS 165 165 5557 1 . HIS 166 166 5557 1 . HIS 167 167 5557 1 . HIS 168 168 5557 1 . HIS 169 169 5557 1 . HIS 170 170 5557 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 5557 _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 $PagP . 562 . . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . membrane . pET21a . pagP . . . . 5557 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 5557 _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 $PagP . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . PET21A . . . . . . 5557 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5557 _Sample.ID 1 _Sample.Type 'DPC micelles' _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 'PhoPQ-activated gene P' [U-2H;U-15N;U-13C] . . 1 $PagP . . 0.8 . . mM . . . . 5557 1 2 phosphate . . . . . . . 50 . . mM . . . . 5557 1 3 DPC . . . . . . . 16 . . % . . . . 5557 1 4 H2O . . . . . . . 90 . . % . . . . 5557 1 5 D2O . . . . . . . 10 . . % . . . . 5557 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5557 _Sample.ID 2 _Sample.Type 'OG micelles' _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 'PhoPQ-activated gene P' [U-2H;U-15N;U-13C] . . 1 $PagP . . 0.8 . . mM . . . . 5557 2 2 phosphate . . . . . . . 50 . . mM . . . . 5557 2 3 DPC . . . . . . . 16 . . % . . . . 5557 2 4 H2O . . . . . . . 90 . . % . . . . 5557 2 5 D2O . . . . . . . 10 . . % . . . . 5557 2 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 5557 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.1 n/a 5557 1 temperature 318 0.2 K 5557 1 'ionic strength' 50 . mM 5557 1 pressure 1 . atm 5557 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5557 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2.1 _Software.Details Delaglio loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5557 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 5557 _Software.ID 2 _Software.Name NMRView _Software.Version 4.0 _Software.Details 'Johnson & Blevins' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5557 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 5557 _Software.ID 3 _Software.Name CNS _Software.Version 1.0 _Software.Details Brunger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5557 3 refinement 5557 3 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 5557 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5557 _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 . 800 . . . 5557 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 5557 _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 '4D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5557 1 2 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5557 1 3 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5557 1 4 HN(CA)CB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5557 1 5 HN(COCA)CB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5557 1 6 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5557 1 7 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5557 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 5557 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '4D 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_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5557 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5557 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5557 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CA)CB _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 5557 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(COCA)CB _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 5557 _NMR_spec_expt.ID 6 _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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5557 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # 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 5557 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water hydroxyl . . . . ppm 4.58 internal direct . cylindrical . internal . . . . . . 5557 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5557 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5557 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 5557 _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 . 5557 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 2 2 ASN CA C 13 51.985 . . 1 . . . . . . . . 5557 1 2 . 1 1 2 2 ASN CB C 13 38.523 . . 1 . . . . . . . . 5557 1 3 . 1 1 2 2 ASN C C 13 175.240 . . 1 . . . . . . . . 5557 1 4 . 1 1 3 3 ALA N N 15 125.481 . . 1 . . . . . . . . 5557 1 5 . 1 1 3 3 ALA H H 1 8.899 . . 1 . . . . . . . . 5557 1 6 . 1 1 3 3 ALA CA C 13 54.865 . . 1 . . . . . . . . 5557 1 7 . 1 1 3 3 ALA CB C 13 17.960 . . 1 . . . . . . . . 5557 1 8 . 1 1 3 3 ALA C C 13 178.528 . . 1 . . . . . . . . 5557 1 9 . 1 1 4 4 ASP N N 15 117.969 . . 1 . . . . . . . . 5557 1 10 . 1 1 4 4 ASP H H 1 8.192 . . 1 . . . . . . . . 5557 1 11 . 1 1 4 4 ASP CA C 13 56.950 . . 1 . . . . . . . . 5557 1 12 . 1 1 4 4 ASP CB C 13 39.873 . . 1 . . . . . . . . 5557 1 13 . 1 1 4 4 ASP C C 13 178.709 . . 1 . . . . . . . . 5557 1 14 . 1 1 5 5 GLU N N 15 120.977 . . 1 . . . . . . . . 5557 1 15 . 1 1 5 5 GLU H H 1 7.923 . . 1 . . . . . . . . 5557 1 16 . 1 1 5 5 GLU CA C 13 58.355 . . 1 . . . . . . . . 5557 1 17 . 1 1 5 5 GLU CB C 13 28.860 . . 1 . . . . . . . . 5557 1 18 . 1 1 5 5 GLU C C 13 179.558 . . 1 . . . . . . . . 5557 1 19 . 1 1 6 6 TRP N N 15 121.977 . . 1 . . . . . . . . 5557 1 20 . 1 1 6 6 TRP H H 1 7.865 . . 1 . . . . . . . . 5557 1 21 . 1 1 6 6 TRP CA C 13 60.284 . . 1 . . . . . . . . 5557 1 22 . 1 1 6 6 TRP CB C 13 28.414 . . 1 . . . . . . . . 5557 1 23 . 1 1 6 6 TRP C C 13 177.955 . . 1 . . . . . . . . 5557 1 24 . 1 1 7 7 MET N N 15 119.190 . . 1 . . . . . . . . 5557 1 25 . 1 1 7 7 MET H H 1 8.319 . . 1 . . . . . . . . 5557 1 26 . 1 1 7 7 MET CA C 13 58.569 . . 1 . . . . . . . . 5557 1 27 . 1 1 7 7 MET CB C 13 31.369 . . 1 . . . . . . . . 5557 1 28 . 1 1 7 7 MET C C 13 178.450 . . 1 . . . . . . . . 5557 1 29 . 1 1 8 8 THR N N 15 117.210 . . 1 . . . . . . . . 5557 1 30 . 1 1 8 8 THR H H 1 8.038 . . 1 . . . . . . . . 5557 1 31 . 1 1 8 8 THR CA C 13 66.521 . . 1 . . . . . . . . 5557 1 32 . 1 1 8 8 THR CB C 13 68.021 . . 1 . . . . . . . . 5557 1 33 . 1 1 8 8 THR C C 13 175.989 . . 1 . . . . . . . . 5557 1 34 . 1 1 9 9 THR N N 15 119.812 . . 1 . . . . . . . . 5557 1 35 . 1 1 9 9 THR H H 1 7.709 . . 1 . . . . . . . . 5557 1 36 . 1 1 9 9 THR CA C 13 66.459 . . 1 . . . . . . . . 5557 1 37 . 1 1 9 9 THR CB C 13 68.251 . . 1 . . . . . . . . 5557 1 38 . 1 1 10 10 PHE N N 15 121.719 . . 1 . . . . . . . . 5557 1 39 . 1 1 10 10 PHE H H 1 8.101 . . 1 . . . . . . . . 5557 1 40 . 1 1 10 10 PHE CA C 13 60.629 . . 1 . . . . . . . . 5557 1 41 . 1 1 10 10 PHE CB C 13 38.331 . . 1 . . . . . . . . 5557 1 42 . 1 1 10 10 PHE C C 13 176.848 . . 1 . . . . . . . . 5557 1 43 . 1 1 11 11 ARG N N 15 118.794 . . 1 . . . . . . . . 5557 1 44 . 1 1 11 11 ARG H H 1 8.210 . . 1 . . . . . . . . 5557 1 45 . 1 1 11 11 ARG CA C 13 59.885 . . 1 . . . . . . . . 5557 1 46 . 1 1 11 11 ARG CB C 13 29.190 . . 1 . . . . . . . . 5557 1 47 . 1 1 12 12 GLU N N 15 119.134 . . 1 . . . . . . . . 5557 1 48 . 1 1 12 12 GLU H H 1 8.224 . . 1 . . . . . . . . 5557 1 49 . 1 1 12 12 GLU CA C 13 58.718 . . 1 . . . . . . . . 5557 1 50 . 1 1 12 12 GLU CB C 13 28.315 . . 1 . . . . . . . . 5557 1 51 . 1 1 12 12 GLU C C 13 179.056 . . 1 . . . . . . . . 5557 1 52 . 1 1 13 13 ASN N N 15 119.591 . . 1 . . . . . . . . 5557 1 53 . 1 1 13 13 ASN H H 1 8.198 . . 1 . . . . . . . . 5557 1 54 . 1 1 13 13 ASN CA C 13 55.218 . . 1 . . . . . . . . 5557 1 55 . 1 1 13 13 ASN CB C 13 37.301 . . 1 . . . . . . . . 5557 1 56 . 1 1 13 13 ASN C C 13 179.598 . . 1 . . . . . . . . 5557 1 57 . 1 1 14 14 ILE N N 15 124.921 . . 1 . . . . . . . . 5557 1 58 . 1 1 14 14 ILE H H 1 7.949 . . 1 . . . . . . . . 5557 1 59 . 1 1 14 14 ILE CA C 13 65.840 . . 1 . . . . . . . . 5557 1 60 . 1 1 14 14 ILE CB C 13 36.865 . . 1 . . . . . . . . 5557 1 61 . 1 1 14 14 ILE C C 13 177.346 . . 1 . . . . . . . . 5557 1 62 . 1 1 15 15 ALA N N 15 122.933 . . 1 . . . . . . . . 5557 1 63 . 1 1 15 15 ALA H H 1 8.180 . . 1 . . . . . . . . 5557 1 64 . 1 1 15 15 ALA CA C 13 55.445 . . 1 . . . . . . . . 5557 1 65 . 1 1 15 15 ALA CB C 13 17.427 . . 1 . . . . . . . . 5557 1 66 . 1 1 15 15 ALA C C 13 179.995 . . 1 . . . . . . . . 5557 1 67 . 1 1 16 16 GLN N N 15 116.052 . . 1 . . . . . . . . 5557 1 68 . 1 1 16 16 GLN H H 1 8.342 . . 1 . . . . . . . . 5557 1 69 . 1 1 16 16 GLN CA C 13 58.251 . . 1 . . . . . . . . 5557 1 70 . 1 1 16 16 GLN CB C 13 27.670 . . 1 . . . . . . . . 5557 1 71 . 1 1 16 16 GLN C C 13 177.587 . . 1 . . . . . . . . 5557 1 72 . 1 1 17 17 THR N N 15 116.424 . . 1 . . . . . . . . 5557 1 73 . 1 1 17 17 THR H H 1 7.239 . . 1 . . . . . . . . 5557 1 74 . 1 1 17 17 THR CA C 13 66.839 . . 1 . . . . . . . . 5557 1 75 . 1 1 17 17 THR CB C 13 67.592 . . 1 . . . . . . . . 5557 1 76 . 1 1 17 17 THR C C 13 171.861 . . 1 . . . . . . . . 5557 1 77 . 1 1 18 18 TRP N N 15 117.647 . . 1 . . . . . . . . 5557 1 78 . 1 1 18 18 TRP H H 1 7.294 . . 1 . . . . . . . . 5557 1 79 . 1 1 18 18 TRP CA C 13 58.376 . . 1 . . . . . . . . 5557 1 80 . 1 1 18 18 TRP CB C 13 29.924 . . 1 . . . . . . . . 5557 1 81 . 1 1 18 18 TRP C C 13 176.042 . . 1 . . . . . . . . 5557 1 82 . 1 1 19 19 GLN N N 15 112.360 . . 1 . . . . . . . . 5557 1 83 . 1 1 19 19 GLN H H 1 8.174 . . 1 . . . . . . . . 5557 1 84 . 1 1 19 19 GLN CA C 13 57.576 . . 1 . . . . . . . . 5557 1 85 . 1 1 19 19 GLN CB C 13 29.195 . . 1 . . . . . . . . 5557 1 86 . 1 1 19 19 GLN C C 13 177.292 . . 1 . . . . . . . . 5557 1 87 . 1 1 20 20 GLN N N 15 116.892 . . 1 . . . . . . . . 5557 1 88 . 1 1 20 20 GLN H H 1 7.741 . . 1 . . . . . . . . 5557 1 89 . 1 1 20 20 GLN CA C 13 52.542 . . 1 . . . . . . . . 5557 1 90 . 1 1 20 20 GLN CB C 13 28.598 . . 1 . . . . . . . . 5557 1 91 . 1 1 21 21 PRO CA C 13 63.260 . . 1 . . . . . . . . 5557 1 92 . 1 1 21 21 PRO CB C 13 31.061 . . 1 . . . . . . . . 5557 1 93 . 1 1 21 21 PRO C C 13 176.287 . . 1 . . . . . . . . 5557 1 94 . 1 1 22 22 GLU N N 15 118.360 . . 1 . . . . . . . . 5557 1 95 . 1 1 22 22 GLU H H 1 8.247 . . 1 . . . . . . . . 5557 1 96 . 1 1 22 22 GLU CA C 13 55.891 . . 1 . . . . . . . . 5557 1 97 . 1 1 22 22 GLU CB C 13 32.398 . . 1 . . . . . . . . 5557 1 98 . 1 1 22 22 GLU C C 13 176.000 . . 1 . . . . . . . . 5557 1 99 . 1 1 23 23 HIS N N 15 115.177 . . 1 . . . . . . . . 5557 1 100 . 1 1 23 23 HIS H H 1 7.972 . . 1 . . . . . . . . 5557 1 101 . 1 1 23 23 HIS CA C 13 53.734 . . 1 . . . . . . . . 5557 1 102 . 1 1 23 23 HIS CB C 13 32.468 . . 1 . . . . . . . . 5557 1 103 . 1 1 23 23 HIS C C 13 173.536 . . 1 . . . . . . . . 5557 1 104 . 1 1 24 24 TYR N N 15 118.597 . . 1 . . . . . . . . 5557 1 105 . 1 1 24 24 TYR H H 1 7.980 . . 1 . . . . . . . . 5557 1 106 . 1 1 24 24 TYR CA C 13 55.423 . . 1 . . . . . . . . 5557 1 107 . 1 1 24 24 TYR CB C 13 39.998 . . 1 . . . . . . . . 5557 1 108 . 1 1 24 24 TYR C C 13 174.143 . . 1 . . . . . . . . 5557 1 109 . 1 1 25 25 ASP N N 15 120.647 . . 1 . . . . . . . . 5557 1 110 . 1 1 25 25 ASP H H 1 8.766 . . 1 . . . . . . . . 5557 1 111 . 1 1 25 25 ASP CA C 13 53.118 . . 1 . . . . . . . . 5557 1 112 . 1 1 25 25 ASP CB C 13 45.773 . . 1 . . . . . . . . 5557 1 113 . 1 1 25 25 ASP C C 13 175.162 . . 1 . . . . . . . . 5557 1 114 . 1 1 26 26 LEU N N 15 121.354 . . 1 . . . . . . . . 5557 1 115 . 1 1 26 26 LEU H H 1 9.055 . . 1 . . . . . . . . 5557 1 116 . 1 1 26 26 LEU CA C 13 53.198 . . 1 . . . . . . . . 5557 1 117 . 1 1 26 26 LEU CB C 13 45.583 . . 1 . . . . . . . . 5557 1 118 . 1 1 26 26 LEU C C 13 175.064 . . 1 . . . . . . . . 5557 1 119 . 1 1 27 27 TYR N N 15 124.676 . . 1 . . . . . . . . 5557 1 120 . 1 1 27 27 TYR H H 1 8.601 . . 1 . . . . . . . . 5557 1 121 . 1 1 27 27 TYR CA C 13 56.909 . . 1 . . . . . . . . 5557 1 122 . 1 1 27 27 TYR CB C 13 40.373 . . 1 . . . . . . . . 5557 1 123 . 1 1 27 27 TYR C C 13 175.465 . . 1 . . . . . . . . 5557 1 124 . 1 1 28 28 ILE N N 15 120.359 . . 1 . . . . . . . . 5557 1 125 . 1 1 28 28 ILE H H 1 9.144 . . 1 . . . . . . . . 5557 1 126 . 1 1 28 28 ILE CA C 13 56.764 . . 1 . . . . . . . . 5557 1 127 . 1 1 28 28 ILE CB C 13 40.244 . . 1 . . . . . . . . 5557 1 128 . 1 1 29 29 PRO CA C 13 63.582 . . 1 . . . . . . . . 5557 1 129 . 1 1 29 29 PRO CB C 13 31.750 . . 1 . . . . . . . . 5557 1 130 . 1 1 29 29 PRO C C 13 173.783 . . 1 . . . . . . . . 5557 1 131 . 1 1 30 30 ALA N N 15 123.120 . . 1 . . . . . . . . 5557 1 132 . 1 1 30 30 ALA H H 1 8.973 . . 1 . . . . . . . . 5557 1 133 . 1 1 30 30 ALA CA C 13 52.956 . . 1 . . . . . . . . 5557 1 134 . 1 1 30 30 ALA CB C 13 20.524 . . 1 . . . . . . . . 5557 1 135 . 1 1 30 30 ALA C C 13 175.399 . . 1 . . . . . . . . 5557 1 136 . 1 1 31 31 ILE N N 15 113.647 . . 1 . . . . . . . . 5557 1 137 . 1 1 31 31 ILE H H 1 7.661 . . 1 . . . . . . . . 5557 1 138 . 1 1 31 31 ILE CA C 13 59.890 . . 1 . . . . . . . . 5557 1 139 . 1 1 31 31 ILE CB C 13 41.045 . . 1 . . . . . . . . 5557 1 140 . 1 1 33 33 TRP CA C 13 55.505 . . 1 . . . . . . . . 5557 1 141 . 1 1 33 33 TRP CB C 13 29.416 . . 1 . . . . . . . . 5557 1 142 . 1 1 34 34 HIS N N 15 126.065 . . 1 . . . . . . . . 5557 1 143 . 1 1 34 34 HIS H H 1 7.967 . . 1 . . . . . . . . 5557 1 144 . 1 1 34 34 HIS CA C 13 55.810 . . 1 . . . . . . . . 5557 1 145 . 1 1 34 34 HIS CB C 13 29.872 . . 1 . . . . . . . . 5557 1 146 . 1 1 34 34 HIS C C 13 174.439 . . 1 . . . . . . . . 5557 1 147 . 1 1 35 35 ALA N N 15 126.462 . . 1 . . . . . . . . 5557 1 148 . 1 1 35 35 ALA H H 1 8.111 . . 1 . . . . . . . . 5557 1 149 . 1 1 35 35 ALA CA C 13 52.388 . . 1 . . . . . . . . 5557 1 150 . 1 1 35 35 ALA CB C 13 18.921 . . 1 . . . . . . . . 5557 1 151 . 1 1 35 35 ALA C C 13 177.551 . . 1 . . . . . . . . 5557 1 152 . 1 1 36 36 ARG N N 15 120.350 . . 1 . . . . . . . . 5557 1 153 . 1 1 36 36 ARG H H 1 8.455 . . 1 . . . . . . . . 5557 1 154 . 1 1 36 36 ARG CA C 13 55.941 . . 1 . . . . . . . . 5557 1 155 . 1 1 36 36 ARG CB C 13 29.823 . . 1 . . . . . . . . 5557 1 156 . 1 1 36 36 ARG C C 13 176.157 . . 1 . . . . . . . . 5557 1 157 . 1 1 37 37 PHE N N 15 120.739 . . 1 . . . . . . . . 5557 1 158 . 1 1 37 37 PHE H H 1 8.009 . . 1 . . . . . . . . 5557 1 159 . 1 1 37 37 PHE CA C 13 57.250 . . 1 . . . . . . . . 5557 1 160 . 1 1 37 37 PHE CB C 13 38.540 . . 1 . . . . . . . . 5557 1 161 . 1 1 37 37 PHE C C 13 175.384 . . 1 . . . . . . . . 5557 1 162 . 1 1 38 38 ALA N N 15 124.570 . . 1 . . . . . . . . 5557 1 163 . 1 1 38 38 ALA H H 1 7.857 . . 1 . . . . . . . . 5557 1 164 . 1 1 38 38 ALA CA C 13 52.042 . . 1 . . . . . . . . 5557 1 165 . 1 1 38 38 ALA CB C 13 18.546 . . 1 . . . . . . . . 5557 1 166 . 1 1 38 38 ALA C C 13 176.924 . . 1 . . . . . . . . 5557 1 167 . 1 1 39 39 TYR N N 15 118.975 . . 1 . . . . . . . . 5557 1 168 . 1 1 39 39 TYR H H 1 7.732 . . 1 . . . . . . . . 5557 1 169 . 1 1 39 39 TYR CA C 13 57.565 . . 1 . . . . . . . . 5557 1 170 . 1 1 39 39 TYR CB C 13 37.830 . . 1 . . . . . . . . 5557 1 171 . 1 1 39 39 TYR C C 13 175.417 . . 1 . . . . . . . . 5557 1 172 . 1 1 40 40 ASP N N 15 122.147 . . 1 . . . . . . . . 5557 1 173 . 1 1 40 40 ASP H H 1 7.979 . . 1 . . . . . . . . 5557 1 174 . 1 1 40 40 ASP CA C 13 53.873 . . 1 . . . . . . . . 5557 1 175 . 1 1 40 40 ASP CB C 13 40.816 . . 1 . . . . . . . . 5557 1 176 . 1 1 40 40 ASP C C 13 176.254 . . 1 . . . . . . . . 5557 1 177 . 1 1 41 41 LYS N N 15 122.131 . . 1 . . . . . . . . 5557 1 178 . 1 1 41 41 LYS H H 1 7.987 . . 1 . . . . . . . . 5557 1 179 . 1 1 41 41 LYS CA C 13 56.578 . . 1 . . . . . . . . 5557 1 180 . 1 1 41 41 LYS CB C 13 31.869 . . 1 . . . . . . . . 5557 1 181 . 1 1 41 41 LYS C C 13 176.743 . . 1 . . . . . . . . 5557 1 182 . 1 1 42 42 GLU N N 15 120.554 . . 1 . . . . . . . . 5557 1 183 . 1 1 42 42 GLU H H 1 8.180 . . 1 . . . . . . . . 5557 1 184 . 1 1 42 42 GLU CA C 13 56.494 . . 1 . . . . . . . . 5557 1 185 . 1 1 42 42 GLU CB C 13 29.302 . . 1 . . . . . . . . 5557 1 186 . 1 1 42 42 GLU C C 13 176.641 . . 1 . . . . . . . . 5557 1 187 . 1 1 43 43 LYS N N 15 121.565 . . 1 . . . . . . . . 5557 1 188 . 1 1 43 43 LYS H H 1 7.969 . . 1 . . . . . . . . 5557 1 189 . 1 1 43 43 LYS CA C 13 55.940 . . 1 . . . . . . . . 5557 1 190 . 1 1 43 43 LYS CB C 13 31.869 . . 1 . . . . . . . . 5557 1 191 . 1 1 43 43 LYS C C 13 176.625 . . 1 . . . . . . . . 5557 1 192 . 1 1 44 44 THR N N 15 115.088 . . 1 . . . . . . . . 5557 1 193 . 1 1 44 44 THR H H 1 7.877 . . 1 . . . . . . . . 5557 1 194 . 1 1 44 44 THR CA C 13 61.650 . . 1 . . . . . . . . 5557 1 195 . 1 1 44 44 THR CB C 13 69.204 . . 1 . . . . . . . . 5557 1 196 . 1 1 44 44 THR C C 13 174.281 . . 1 . . . . . . . . 5557 1 197 . 1 1 45 45 ASP N N 15 123.106 . . 1 . . . . . . . . 5557 1 198 . 1 1 45 45 ASP H H 1 8.162 . . 1 . . . . . . . . 5557 1 199 . 1 1 45 45 ASP CA C 13 54.082 . . 1 . . . . . . . . 5557 1 200 . 1 1 45 45 ASP CB C 13 40.583 . . 1 . . . . . . . . 5557 1 201 . 1 1 45 45 ASP C C 13 176.012 . . 1 . . . . . . . . 5557 1 202 . 1 1 46 46 ARG N N 15 120.796 . . 1 . . . . . . . . 5557 1 203 . 1 1 46 46 ARG H H 1 7.889 . . 1 . . . . . . . . 5557 1 204 . 1 1 46 46 ARG CA C 13 55.718 . . 1 . . . . . . . . 5557 1 205 . 1 1 46 46 ARG CB C 13 29.827 . . 1 . . . . . . . . 5557 1 206 . 1 1 46 46 ARG C C 13 175.895 . . 1 . . . . . . . . 5557 1 207 . 1 1 47 47 TYR N N 15 120.701 . . 1 . . . . . . . . 5557 1 208 . 1 1 47 47 TYR H H 1 7.926 . . 1 . . . . . . . . 5557 1 209 . 1 1 47 47 TYR CA C 13 57.392 . . 1 . . . . . . . . 5557 1 210 . 1 1 47 47 TYR CB C 13 38.009 . . 1 . . . . . . . . 5557 1 211 . 1 1 47 47 TYR C C 13 175.301 . . 1 . . . . . . . . 5557 1 212 . 1 1 48 48 ASN N N 15 120.403 . . 1 . . . . . . . . 5557 1 213 . 1 1 48 48 ASN H H 1 8.180 . . 1 . . . . . . . . 5557 1 214 . 1 1 48 48 ASN CA C 13 52.895 . . 1 . . . . . . . . 5557 1 215 . 1 1 48 48 ASN CB C 13 38.757 . . 1 . . . . . . . . 5557 1 216 . 1 1 48 48 ASN C C 13 174.567 . . 1 . . . . . . . . 5557 1 217 . 1 1 49 49 GLU N N 15 121.574 . . 1 . . . . . . . . 5557 1 218 . 1 1 49 49 GLU H H 1 8.039 . . 1 . . . . . . . . 5557 1 219 . 1 1 49 49 GLU CA C 13 55.754 . . 1 . . . . . . . . 5557 1 220 . 1 1 49 49 GLU CB C 13 30.029 . . 1 . . . . . . . . 5557 1 221 . 1 1 50 50 ARG N N 15 122.725 . . 1 . . . . . . . . 5557 1 222 . 1 1 50 50 ARG H H 1 8.055 . . 1 . . . . . . . . 5557 1 223 . 1 1 50 50 ARG CA C 13 53.211 . . 1 . . . . . . . . 5557 1 224 . 1 1 50 50 ARG CB C 13 29.558 . . 1 . . . . . . . . 5557 1 225 . 1 1 51 51 PRO CA C 13 61.901 . . 1 . . . . . . . . 5557 1 226 . 1 1 51 51 PRO CB C 13 30.928 . . 1 . . . . . . . . 5557 1 227 . 1 1 51 51 PRO C C 13 175.436 . . 1 . . . . . . . . 5557 1 228 . 1 1 52 52 TRP N N 15 121.379 . . 1 . . . . . . . . 5557 1 229 . 1 1 52 52 TRP H H 1 8.308 . . 1 . . . . . . . . 5557 1 230 . 1 1 52 52 TRP CA C 13 56.418 . . 1 . . . . . . . . 5557 1 231 . 1 1 52 52 TRP CB C 13 30.748 . . 1 . . . . . . . . 5557 1 232 . 1 1 52 52 TRP C C 13 175.250 . . 1 . . . . . . . . 5557 1 233 . 1 1 53 53 GLY N N 15 108.219 . . 1 . . . . . . . . 5557 1 234 . 1 1 53 53 GLY H H 1 7.770 . . 1 . . . . . . . . 5557 1 235 . 1 1 53 53 GLY CA C 13 45.006 . . 1 . . . . . . . . 5557 1 236 . 1 1 53 53 GLY C C 13 170.835 . . 1 . . . . . . . . 5557 1 237 . 1 1 54 54 GLY N N 15 128.920 . . 1 . . . . . . . . 5557 1 238 . 1 1 54 54 GLY H H 1 8.217 . . 1 . . . . . . . . 5557 1 239 . 1 1 54 54 GLY CA C 13 44.827 . . 1 . . . . . . . . 5557 1 240 . 1 1 54 54 GLY C C 13 170.892 . . 1 . . . . . . . . 5557 1 241 . 1 1 55 55 GLY N N 15 105.880 . . 1 . . . . . . . . 5557 1 242 . 1 1 55 55 GLY H H 1 8.473 . . 1 . . . . . . . . 5557 1 243 . 1 1 55 55 GLY CA C 13 46.269 . . 1 . . . . . . . . 5557 1 244 . 1 1 55 55 GLY C C 13 170.721 . . 1 . . . . . . . . 5557 1 245 . 1 1 56 56 PHE N N 15 119.353 . . 1 . . . . . . . . 5557 1 246 . 1 1 56 56 PHE H H 1 8.914 . . 1 . . . . . . . . 5557 1 247 . 1 1 56 56 PHE CA C 13 55.426 . . 1 . . . . . . . . 5557 1 248 . 1 1 56 56 PHE CB C 13 43.796 . . 1 . . . . . . . . 5557 1 249 . 1 1 56 56 PHE C C 13 173.584 . . 1 . . . . . . . . 5557 1 250 . 1 1 57 57 GLY N N 15 105.880 . . 1 . . . . . . . . 5557 1 251 . 1 1 57 57 GLY H H 1 8.902 . . 1 . . . . . . . . 5557 1 252 . 1 1 57 57 GLY CA C 13 46.641 . . 1 . . . . . . . . 5557 1 253 . 1 1 57 57 GLY C C 13 171.664 . . 1 . . . . . . . . 5557 1 254 . 1 1 58 58 LEU N N 15 118.344 . . 1 . . . . . . . . 5557 1 255 . 1 1 58 58 LEU H H 1 8.864 . . 1 . . . . . . . . 5557 1 256 . 1 1 58 58 LEU CA C 13 52.831 . . 1 . . . . . . . . 5557 1 257 . 1 1 58 58 LEU CB C 13 45.013 . . 1 . . . . . . . . 5557 1 258 . 1 1 58 58 LEU C C 13 177.274 . . 1 . . . . . . . . 5557 1 259 . 1 1 59 59 SER N N 15 115.097 . . 1 . . . . . . . . 5557 1 260 . 1 1 59 59 SER H H 1 8.645 . . 1 . . . . . . . . 5557 1 261 . 1 1 59 59 SER CA C 13 57.276 . . 1 . . . . . . . . 5557 1 262 . 1 1 59 59 SER CB C 13 65.537 . . 1 . . . . . . . . 5557 1 263 . 1 1 59 59 SER C C 13 174.254 . . 1 . . . . . . . . 5557 1 264 . 1 1 60 60 ARG N N 15 116.682 . . 1 . . . . . . . . 5557 1 265 . 1 1 60 60 ARG H H 1 8.697 . . 1 . . . . . . . . 5557 1 266 . 1 1 60 60 ARG CA C 13 54.706 . . 1 . . . . . . . . 5557 1 267 . 1 1 60 60 ARG CB C 13 32.146 . . 1 . . . . . . . . 5557 1 268 . 1 1 60 60 ARG C C 13 171.697 . . 1 . . . . . . . . 5557 1 269 . 1 1 61 61 TRP N N 15 121.554 . . 1 . . . . . . . . 5557 1 270 . 1 1 61 61 TRP H H 1 8.369 . . 1 . . . . . . . . 5557 1 271 . 1 1 61 61 TRP CA C 13 54.324 . . 1 . . . . . . . . 5557 1 272 . 1 1 61 61 TRP CB C 13 29.516 . . 1 . . . . . . . . 5557 1 273 . 1 1 61 61 TRP C C 13 177.845 . . 1 . . . . . . . . 5557 1 274 . 1 1 62 62 ASP N N 15 123.345 . . 1 . . . . . . . . 5557 1 275 . 1 1 62 62 ASP H H 1 9.251 . . 1 . . . . . . . . 5557 1 276 . 1 1 62 62 ASP CA C 13 52.219 . . 1 . . . . . . . . 5557 1 277 . 1 1 62 62 ASP CB C 13 41.360 . . 1 . . . . . . . . 5557 1 278 . 1 1 62 62 ASP C C 13 178.112 . . 1 . . . . . . . . 5557 1 279 . 1 1 63 63 GLU N N 15 118.874 . . 1 . . . . . . . . 5557 1 280 . 1 1 63 63 GLU H H 1 9.139 . . 1 . . . . . . . . 5557 1 281 . 1 1 63 63 GLU CA C 13 58.632 . . 1 . . . . . . . . 5557 1 282 . 1 1 63 63 GLU CB C 13 27.982 . . 1 . . . . . . . . 5557 1 283 . 1 1 63 63 GLU C C 13 177.865 . . 1 . . . . . . . . 5557 1 284 . 1 1 64 64 LYS N N 15 119.703 . . 1 . . . . . . . . 5557 1 285 . 1 1 64 64 LYS H H 1 8.034 . . 1 . . . . . . . . 5557 1 286 . 1 1 64 64 LYS CA C 13 55.904 . . 1 . . . . . . . . 5557 1 287 . 1 1 64 64 LYS CB C 13 31.989 . . 1 . . . . . . . . 5557 1 288 . 1 1 64 64 LYS C C 13 176.511 . . 1 . . . . . . . . 5557 1 289 . 1 1 65 65 GLY N N 15 108.452 . . 1 . . . . . . . . 5557 1 290 . 1 1 65 65 GLY H H 1 8.258 . . 1 . . . . . . . . 5557 1 291 . 1 1 65 65 GLY CA C 13 44.444 . . 1 . . . . . . . . 5557 1 292 . 1 1 65 65 GLY C C 13 174.023 . . 1 . . . . . . . . 5557 1 293 . 1 1 66 66 ASN N N 15 120.790 . . 1 . . . . . . . . 5557 1 294 . 1 1 66 66 ASN H H 1 8.339 . . 1 . . . . . . . . 5557 1 295 . 1 1 66 66 ASN CA C 13 52.212 . . 1 . . . . . . . . 5557 1 296 . 1 1 66 66 ASN CB C 13 37.932 . . 1 . . . . . . . . 5557 1 297 . 1 1 66 66 ASN C C 13 174.241 . . 1 . . . . . . . . 5557 1 298 . 1 1 67 67 TRP N N 15 123.144 . . 1 . . . . . . . . 5557 1 299 . 1 1 67 67 TRP H H 1 7.581 . . 1 . . . . . . . . 5557 1 300 . 1 1 67 67 TRP CA C 13 58.285 . . 1 . . . . . . . . 5557 1 301 . 1 1 67 67 TRP CB C 13 29.994 . . 1 . . . . . . . . 5557 1 302 . 1 1 67 67 TRP C C 13 173.623 . . 1 . . . . . . . . 5557 1 303 . 1 1 68 68 HIS N N 15 123.258 . . 1 . . . . . . . . 5557 1 304 . 1 1 68 68 HIS H H 1 7.187 . . 1 . . . . . . . . 5557 1 305 . 1 1 68 68 HIS CA C 13 53.638 . . 1 . . . . . . . . 5557 1 306 . 1 1 68 68 HIS CB C 13 34.805 . . 1 . . . . . . . . 5557 1 307 . 1 1 68 68 HIS C C 13 173.805 . . 1 . . . . . . . . 5557 1 308 . 1 1 69 69 GLY N N 15 107.233 . . 1 . . . . . . . . 5557 1 309 . 1 1 69 69 GLY H H 1 8.150 . . 1 . . . . . . . . 5557 1 310 . 1 1 69 69 GLY CA C 13 43.786 . . 1 . . . . . . . . 5557 1 311 . 1 1 69 69 GLY C C 13 172.082 . . 1 . . . . . . . . 5557 1 312 . 1 1 70 70 LEU N N 15 122.719 . . 1 . . . . . . . . 5557 1 313 . 1 1 70 70 LEU H H 1 8.868 . . 1 . . . . . . . . 5557 1 314 . 1 1 70 70 LEU CA C 13 52.785 . . 1 . . . . . . . . 5557 1 315 . 1 1 70 70 LEU CB C 13 44.786 . . 1 . . . . . . . . 5557 1 316 . 1 1 70 70 LEU C C 13 175.710 . . 1 . . . . . . . . 5557 1 317 . 1 1 71 71 TYR N N 15 119.409 . . 1 . . . . . . . . 5557 1 318 . 1 1 71 71 TYR H H 1 8.379 . . 1 . . . . . . . . 5557 1 319 . 1 1 71 71 TYR CA C 13 55.672 . . 1 . . . . . . . . 5557 1 320 . 1 1 71 71 TYR CB C 13 41.359 . . 1 . . . . . . . . 5557 1 321 . 1 1 71 71 TYR C C 13 172.382 . . 1 . . . . . . . . 5557 1 322 . 1 1 72 72 ALA N N 15 120.168 . . 1 . . . . . . . . 5557 1 323 . 1 1 72 72 ALA H H 1 8.559 . . 1 . . . . . . . . 5557 1 324 . 1 1 72 72 ALA CA C 13 50.857 . . 1 . . . . . . . . 5557 1 325 . 1 1 72 72 ALA CB C 13 20.762 . . 1 . . . . . . . . 5557 1 326 . 1 1 72 72 ALA C C 13 175.065 . . 1 . . . . . . . . 5557 1 327 . 1 1 73 73 MET N N 15 119.940 . . 1 . . . . . . . . 5557 1 328 . 1 1 73 73 MET H H 1 9.220 . . 1 . . . . . . . . 5557 1 329 . 1 1 73 73 MET CA C 13 53.742 . . 1 . . . . . . . . 5557 1 330 . 1 1 73 73 MET CB C 13 37.849 . . 1 . . . . . . . . 5557 1 331 . 1 1 73 73 MET C C 13 173.345 . . 1 . . . . . . . . 5557 1 332 . 1 1 74 74 ALA N N 15 121.293 . . 1 . . . . . . . . 5557 1 333 . 1 1 74 74 ALA H H 1 8.449 . . 1 . . . . . . . . 5557 1 334 . 1 1 74 74 ALA CA C 13 51.088 . . 1 . . . . . . . . 5557 1 335 . 1 1 74 74 ALA CB C 13 21.987 . . 1 . . . . . . . . 5557 1 336 . 1 1 74 74 ALA C C 13 175.058 . . 1 . . . . . . . . 5557 1 337 . 1 1 75 75 PHE N N 15 116.675 . . 1 . . . . . . . . 5557 1 338 . 1 1 75 75 PHE H H 1 7.887 . . 1 . . . . . . . . 5557 1 339 . 1 1 75 75 PHE CA C 13 55.132 . . 1 . . . . . . . . 5557 1 340 . 1 1 75 75 PHE CB C 13 41.733 . . 1 . . . . . . . . 5557 1 341 . 1 1 75 75 PHE C C 13 173.525 . . 1 . . . . . . . . 5557 1 342 . 1 1 76 76 LYS N N 15 123.466 . . 1 . . . . . . . . 5557 1 343 . 1 1 76 76 LYS H H 1 8.235 . . 1 . . . . . . . . 5557 1 344 . 1 1 76 76 LYS CA C 13 54.468 . . 1 . . . . . . . . 5557 1 345 . 1 1 76 76 LYS CB C 13 32.186 . . 1 . . . . . . . . 5557 1 346 . 1 1 76 76 LYS C C 13 175.999 . . 1 . . . . . . . . 5557 1 347 . 1 1 77 77 ASP N N 15 126.449 . . 1 . . . . . . . . 5557 1 348 . 1 1 77 77 ASP H H 1 8.580 . . 1 . . . . . . . . 5557 1 349 . 1 1 77 77 ASP CA C 13 52.371 . . 1 . . . . . . . . 5557 1 350 . 1 1 77 77 ASP CB C 13 41.793 . . 1 . . . . . . . . 5557 1 351 . 1 1 77 77 ASP C C 13 178.400 . . 1 . . . . . . . . 5557 1 352 . 1 1 78 78 SER N N 15 114.226 . . 1 . . . . . . . . 5557 1 353 . 1 1 78 78 SER H H 1 8.295 . . 1 . . . . . . . . 5557 1 354 . 1 1 78 78 SER CA C 13 60.565 . . 1 . . . . . . . . 5557 1 355 . 1 1 78 78 SER CB C 13 61.997 . . 1 . . . . . . . . 5557 1 356 . 1 1 78 78 SER C C 13 174.488 . . 1 . . . . . . . . 5557 1 357 . 1 1 79 79 TRP N N 15 123.482 . . 1 . . . . . . . . 5557 1 358 . 1 1 79 79 TRP H H 1 8.381 . . 1 . . . . . . . . 5557 1 359 . 1 1 79 79 TRP CA C 13 56.881 . . 1 . . . . . . . . 5557 1 360 . 1 1 79 79 TRP CB C 13 27.789 . . 1 . . . . . . . . 5557 1 361 . 1 1 79 79 TRP C C 13 175.518 . . 1 . . . . . . . . 5557 1 362 . 1 1 80 80 ASN N N 15 116.113 . . 1 . . . . . . . . 5557 1 363 . 1 1 80 80 ASN H H 1 8.292 . . 1 . . . . . . . . 5557 1 364 . 1 1 80 80 ASN CA C 13 53.988 . . 1 . . . . . . . . 5557 1 365 . 1 1 80 80 ASN CB C 13 37.063 . . 1 . . . . . . . . 5557 1 366 . 1 1 80 80 ASN C C 13 173.829 . . 1 . . . . . . . . 5557 1 367 . 1 1 81 81 LYS N N 15 120.115 . . 1 . . . . . . . . 5557 1 368 . 1 1 81 81 LYS H H 1 8.170 . . 1 . . . . . . . . 5557 1 369 . 1 1 81 81 LYS CA C 13 53.884 . . 1 . . . . . . . . 5557 1 370 . 1 1 81 81 LYS CB C 13 32.705 . . 1 . . . . . . . . 5557 1 371 . 1 1 81 81 LYS C C 13 176.303 . . 1 . . . . . . . . 5557 1 372 . 1 1 82 82 TRP N N 15 122.977 . . 1 . . . . . . . . 5557 1 373 . 1 1 82 82 TRP H H 1 8.651 . . 1 . . . . . . . . 5557 1 374 . 1 1 82 82 TRP CA C 13 57.593 . . 1 . . . . . . . . 5557 1 375 . 1 1 82 82 TRP CB C 13 30.003 . . 1 . . . . . . . . 5557 1 376 . 1 1 84 84 PRO CA C 13 60.256 . . 1 . . . . . . . . 5557 1 377 . 1 1 84 84 PRO CB C 13 32.379 . . 1 . . . . . . . . 5557 1 378 . 1 1 84 84 PRO C C 13 176.009 . . 1 . . . . . . . . 5557 1 379 . 1 1 85 85 ILE N N 15 121.869 . . 1 . . . . . . . . 5557 1 380 . 1 1 85 85 ILE H H 1 9.166 . . 1 . . . . . . . . 5557 1 381 . 1 1 85 85 ILE CA C 13 59.790 . . 1 . . . . . . . . 5557 1 382 . 1 1 85 85 ILE CB C 13 40.851 . . 1 . . . . . . . . 5557 1 383 . 1 1 85 85 ILE C C 13 171.959 . . 1 . . . . . . . . 5557 1 384 . 1 1 86 86 ALA N N 15 127.864 . . 1 . . . . . . . . 5557 1 385 . 1 1 86 86 ALA H H 1 8.250 . . 1 . . . . . . . . 5557 1 386 . 1 1 86 86 ALA CA C 13 49.948 . . 1 . . . . . . . . 5557 1 387 . 1 1 86 86 ALA CB C 13 21.289 . . 1 . . . . . . . . 5557 1 388 . 1 1 86 86 ALA C C 13 175.605 . . 1 . . . . . . . . 5557 1 389 . 1 1 87 87 GLY N N 15 105.904 . . 1 . . . . . . . . 5557 1 390 . 1 1 87 87 GLY H H 1 7.333 . . 1 . . . . . . . . 5557 1 391 . 1 1 87 87 GLY CA C 13 46.534 . . 1 . . . . . . . . 5557 1 392 . 1 1 87 87 GLY C C 13 169.154 . . 1 . . . . . . . . 5557 1 393 . 1 1 88 88 TYR N N 15 118.839 . . 1 . . . . . . . . 5557 1 394 . 1 1 88 88 TYR H H 1 8.724 . . 1 . . . . . . . . 5557 1 395 . 1 1 88 88 TYR CA C 13 54.077 . . 1 . . . . . . . . 5557 1 396 . 1 1 88 88 TYR CB C 13 42.432 . . 1 . . . . . . . . 5557 1 397 . 1 1 88 88 TYR C C 13 176.167 . . 1 . . . . . . . . 5557 1 398 . 1 1 89 89 GLY N N 15 120.998 . . 1 . . . . . . . . 5557 1 399 . 1 1 89 89 GLY H H 1 9.511 . . 1 . . . . . . . . 5557 1 400 . 1 1 89 89 GLY CA C 13 43.423 . . 1 . . . . . . . . 5557 1 401 . 1 1 89 89 GLY C C 13 167.756 . . 1 . . . . . . . . 5557 1 402 . 1 1 90 90 TRP N N 15 122.133 . . 1 . . . . . . . . 5557 1 403 . 1 1 90 90 TRP H H 1 8.080 . . 1 . . . . . . . . 5557 1 404 . 1 1 90 90 TRP CA C 13 54.623 . . 1 . . . . . . . . 5557 1 405 . 1 1 90 90 TRP CB C 13 31.120 . . 1 . . . . . . . . 5557 1 406 . 1 1 90 90 TRP C C 13 175.843 . . 1 . . . . . . . . 5557 1 407 . 1 1 91 91 GLU N N 15 121.519 . . 1 . . . . . . . . 5557 1 408 . 1 1 91 91 GLU H H 1 7.749 . . 1 . . . . . . . . 5557 1 409 . 1 1 91 91 GLU CA C 13 54.998 . . 1 . . . . . . . . 5557 1 410 . 1 1 91 91 GLU CB C 13 33.822 . . 1 . . . . . . . . 5557 1 411 . 1 1 91 91 GLU C C 13 176.343 . . 1 . . . . . . . . 5557 1 412 . 1 1 92 92 SER N N 15 121.745 . . 1 . . . . . . . . 5557 1 413 . 1 1 92 92 SER H H 1 7.473 . . 1 . . . . . . . . 5557 1 414 . 1 1 92 92 SER CA C 13 57.082 . . 1 . . . . . . . . 5557 1 415 . 1 1 92 92 SER CB C 13 62.366 . . 1 . . . . . . . . 5557 1 416 . 1 1 92 92 SER C C 13 174.303 . . 1 . . . . . . . . 5557 1 417 . 1 1 93 93 THR N N 15 123.679 . . 1 . . . . . . . . 5557 1 418 . 1 1 93 93 THR H H 1 7.929 . . 1 . . . . . . . . 5557 1 419 . 1 1 93 93 THR CA C 13 61.854 . . 1 . . . . . . . . 5557 1 420 . 1 1 93 93 THR CB C 13 70.058 . . 1 . . . . . . . . 5557 1 421 . 1 1 93 93 THR C C 13 172.777 . . 1 . . . . . . . . 5557 1 422 . 1 1 94 94 TRP N N 15 128.750 . . 1 . . . . . . . . 5557 1 423 . 1 1 94 94 TRP H H 1 9.954 . . 1 . . . . . . . . 5557 1 424 . 1 1 94 94 TRP CA C 13 57.607 . . 1 . . . . . . . . 5557 1 425 . 1 1 94 94 TRP CB C 13 32.695 . . 1 . . . . . . . . 5557 1 426 . 1 1 94 94 TRP C C 13 175.354 . . 1 . . . . . . . . 5557 1 427 . 1 1 95 95 ARG N N 15 122.863 . . 1 . . . . . . . . 5557 1 428 . 1 1 95 95 ARG H H 1 8.892 . . 1 . . . . . . . . 5557 1 429 . 1 1 95 95 ARG CA C 13 53.099 . . 1 . . . . . . . . 5557 1 430 . 1 1 95 95 ARG CB C 13 29.450 . . 1 . . . . . . . . 5557 1 431 . 1 1 96 96 PRO CA C 13 63.468 . . 1 . . . . . . . . 5557 1 432 . 1 1 96 96 PRO CB C 13 32.286 . . 1 . . . . . . . . 5557 1 433 . 1 1 96 96 PRO C C 13 176.044 . . 1 . . . . . . . . 5557 1 434 . 1 1 97 97 LEU N N 15 120.168 . . 1 . . . . . . . . 5557 1 435 . 1 1 97 97 LEU H H 1 8.716 . . 1 . . . . . . . . 5557 1 436 . 1 1 97 97 LEU CA C 13 52.676 . . 1 . . . . . . . . 5557 1 437 . 1 1 97 97 LEU CB C 13 41.802 . . 1 . . . . . . . . 5557 1 438 . 1 1 97 97 LEU C C 13 176.329 . . 1 . . . . . . . . 5557 1 439 . 1 1 98 98 ALA N N 15 122.547 . . 1 . . . . . . . . 5557 1 440 . 1 1 98 98 ALA H H 1 8.581 . . 1 . . . . . . . . 5557 1 441 . 1 1 98 98 ALA CA C 13 54.064 . . 1 . . . . . . . . 5557 1 442 . 1 1 98 98 ALA CB C 13 17.231 . . 1 . . . . . . . . 5557 1 443 . 1 1 98 98 ALA C C 13 178.836 . . 1 . . . . . . . . 5557 1 444 . 1 1 99 99 ASP N N 15 114.316 . . 1 . . . . . . . . 5557 1 445 . 1 1 99 99 ASP H H 1 7.010 . . 1 . . . . . . . . 5557 1 446 . 1 1 99 99 ASP CA C 13 52.708 . . 1 . . . . . . . . 5557 1 447 . 1 1 99 99 ASP CB C 13 39.807 . . 1 . . . . . . . . 5557 1 448 . 1 1 99 99 ASP C C 13 176.699 . . 1 . . . . . . . . 5557 1 449 . 1 1 100 100 GLU N N 15 128.531 . . 1 . . . . . . . . 5557 1 450 . 1 1 100 100 GLU H H 1 8.686 . . 1 . . . . . . . . 5557 1 451 . 1 1 100 100 GLU CA C 13 57.286 . . 1 . . . . . . . . 5557 1 452 . 1 1 100 100 GLU CB C 13 28.576 . . 1 . . . . . . . . 5557 1 453 . 1 1 100 100 GLU C C 13 175.671 . . 1 . . . . . . . . 5557 1 454 . 1 1 101 101 ASN N N 15 116.447 . . 1 . . . . . . . . 5557 1 455 . 1 1 101 101 ASN H H 1 8.545 . . 1 . . . . . . . . 5557 1 456 . 1 1 101 101 ASN CA C 13 54.304 . . 1 . . . . . . . . 5557 1 457 . 1 1 101 101 ASN CB C 13 37.248 . . 1 . . . . . . . . 5557 1 458 . 1 1 101 101 ASN C C 13 176.177 . . 1 . . . . . . . . 5557 1 459 . 1 1 102 102 PHE N N 15 121.149 . . 1 . . . . . . . . 5557 1 460 . 1 1 102 102 PHE H H 1 7.295 . . 1 . . . . . . . . 5557 1 461 . 1 1 102 102 PHE CA C 13 57.635 . . 1 . . . . . . . . 5557 1 462 . 1 1 102 102 PHE CB C 13 38.391 . . 1 . . . . . . . . 5557 1 463 . 1 1 102 102 PHE C C 13 173.780 . . 1 . . . . . . . . 5557 1 464 . 1 1 103 103 HIS N N 15 122.529 . . 1 . . . . . . . . 5557 1 465 . 1 1 103 103 HIS H H 1 7.764 . . 1 . . . . . . . . 5557 1 466 . 1 1 103 103 HIS CA C 13 51.859 . . 1 . . . . . . . . 5557 1 467 . 1 1 103 103 HIS CB C 13 29.863 . . 1 . . . . . . . . 5557 1 468 . 1 1 103 103 HIS C C 13 170.864 . . 1 . . . . . . . . 5557 1 469 . 1 1 104 104 LEU N N 15 122.113 . . 1 . . . . . . . . 5557 1 470 . 1 1 104 104 LEU H H 1 8.705 . . 1 . . . . . . . . 5557 1 471 . 1 1 104 104 LEU CA C 13 53.658 . . 1 . . . . . . . . 5557 1 472 . 1 1 104 104 LEU CB C 13 45.152 . . 1 . . . . . . . . 5557 1 473 . 1 1 104 104 LEU C C 13 175.181 . . 1 . . . . . . . . 5557 1 474 . 1 1 105 105 GLY N N 15 111.398 . . 1 . . . . . . . . 5557 1 475 . 1 1 105 105 GLY H H 1 8.801 . . 1 . . . . . . . . 5557 1 476 . 1 1 105 105 GLY CA C 13 44.956 . . 1 . . . . . . . . 5557 1 477 . 1 1 105 105 GLY C C 13 171.960 . . 1 . . . . . . . . 5557 1 478 . 1 1 106 106 LEU N N 15 119.199 . . 1 . . . . . . . . 5557 1 479 . 1 1 106 106 LEU H H 1 8.269 . . 1 . . . . . . . . 5557 1 480 . 1 1 106 106 LEU CA C 13 53.534 . . 1 . . . . . . . . 5557 1 481 . 1 1 106 106 LEU CB C 13 47.035 . . 1 . . . . . . . . 5557 1 482 . 1 1 106 106 LEU C C 13 175.937 . . 1 . . . . . . . . 5557 1 483 . 1 1 107 107 GLY N N 15 112.947 . . 1 . . . . . . . . 5557 1 484 . 1 1 107 107 GLY H H 1 9.354 . . 1 . . . . . . . . 5557 1 485 . 1 1 107 107 GLY CA C 13 46.621 . . 1 . . . . . . . . 5557 1 486 . 1 1 107 107 GLY C C 13 172.126 . . 1 . . . . . . . . 5557 1 487 . 1 1 108 108 PHE N N 15 121.747 . . 1 . . . . . . . . 5557 1 488 . 1 1 108 108 PHE H H 1 9.183 . . 1 . . . . . . . . 5557 1 489 . 1 1 108 108 PHE CA C 13 55.954 . . 1 . . . . . . . . 5557 1 490 . 1 1 108 108 PHE CB C 13 41.817 . . 1 . . . . . . . . 5557 1 491 . 1 1 108 108 PHE C C 13 171.723 . . 1 . . . . . . . . 5557 1 492 . 1 1 109 109 THR N N 15 112.916 . . 1 . . . . . . . . 5557 1 493 . 1 1 109 109 THR H H 1 9.461 . . 1 . . . . . . . . 5557 1 494 . 1 1 109 109 THR CA C 13 57.415 . . 1 . . . . . . . . 5557 1 495 . 1 1 109 109 THR CB C 13 70.740 . . 1 . . . . . . . . 5557 1 496 . 1 1 109 109 THR C C 13 170.978 . . 1 . . . . . . . . 5557 1 497 . 1 1 110 110 ALA N N 15 131.192 . . 1 . . . . . . . . 5557 1 498 . 1 1 110 110 ALA H H 1 8.484 . . 1 . . . . . . . . 5557 1 499 . 1 1 110 110 ALA CA C 13 49.541 . . 1 . . . . . . . . 5557 1 500 . 1 1 110 110 ALA CB C 13 21.366 . . 1 . . . . . . . . 5557 1 501 . 1 1 110 110 ALA C C 13 175.434 . . 1 . . . . . . . . 5557 1 502 . 1 1 111 111 GLY N N 15 109.232 . . 1 . . . . . . . . 5557 1 503 . 1 1 111 111 GLY H H 1 8.944 . . 1 . . . . . . . . 5557 1 504 . 1 1 111 111 GLY CA C 13 45.130 . . 1 . . . . . . . . 5557 1 505 . 1 1 111 111 GLY C C 13 171.621 . . 1 . . . . . . . . 5557 1 506 . 1 1 112 112 VAL N N 15 115.540 . . 1 . . . . . . . . 5557 1 507 . 1 1 112 112 VAL H H 1 9.162 . . 1 . . . . . . . . 5557 1 508 . 1 1 112 112 VAL CA C 13 58.944 . . 1 . . . . . . . . 5557 1 509 . 1 1 112 112 VAL CB C 13 34.781 . . 1 . . . . . . . . 5557 1 510 . 1 1 112 112 VAL C C 13 173.550 . . 1 . . . . . . . . 5557 1 511 . 1 1 113 113 THR N N 15 116.846 . . 1 . . . . . . . . 5557 1 512 . 1 1 113 113 THR H H 1 8.447 . . 1 . . . . . . . . 5557 1 513 . 1 1 113 113 THR CA C 13 58.059 . . 1 . . . . . . . . 5557 1 514 . 1 1 113 113 THR CB C 13 70.942 . . 1 . . . . . . . . 5557 1 515 . 1 1 113 113 THR C C 13 172.041 . . 1 . . . . . . . . 5557 1 516 . 1 1 114 114 ALA N N 15 124.888 . . 1 . . . . . . . . 5557 1 517 . 1 1 114 114 ALA H H 1 7.795 . . 1 . . . . . . . . 5557 1 518 . 1 1 114 114 ALA CA C 13 51.067 . . 1 . . . . . . . . 5557 1 519 . 1 1 114 114 ALA CB C 13 20.671 . . 1 . . . . . . . . 5557 1 520 . 1 1 114 114 ALA C C 13 176.139 . . 1 . . . . . . . . 5557 1 521 . 1 1 115 115 ARG N N 15 119.382 . . 1 . . . . . . . . 5557 1 522 . 1 1 115 115 ARG H H 1 8.292 . . 1 . . . . . . . . 5557 1 523 . 1 1 115 115 ARG CA C 13 55.411 . . 1 . . . . . . . . 5557 1 524 . 1 1 115 115 ARG CB C 13 31.911 . . 1 . . . . . . . . 5557 1 525 . 1 1 116 116 ASP CA C 13 54.982 . . 1 . . . . . . . . 5557 1 526 . 1 1 116 116 ASP CB C 13 38.105 . . 1 . . . . . . . . 5557 1 527 . 1 1 116 116 ASP C C 13 175.858 . . 1 . . . . . . . . 5557 1 528 . 1 1 117 117 ASN N N 15 118.987 . . 1 . . . . . . . . 5557 1 529 . 1 1 117 117 ASN H H 1 8.559 . . 1 . . . . . . . . 5557 1 530 . 1 1 117 117 ASN CA C 13 52.962 . . 1 . . . . . . . . 5557 1 531 . 1 1 117 117 ASN CB C 13 37.908 . . 1 . . . . . . . . 5557 1 532 . 1 1 118 118 TRP CA C 13 56.554 . . 1 . . . . . . . . 5557 1 533 . 1 1 118 118 TRP CB C 13 28.007 . . 1 . . . . . . . . 5557 1 534 . 1 1 118 118 TRP C C 13 175.324 . . 1 . . . . . . . . 5557 1 535 . 1 1 119 119 ASN N N 15 117.469 . . 1 . . . . . . . . 5557 1 536 . 1 1 119 119 ASN H H 1 7.918 . . 1 . . . . . . . . 5557 1 537 . 1 1 119 119 ASN CA C 13 53.360 . . 1 . . . . . . . . 5557 1 538 . 1 1 119 119 ASN CB C 13 38.308 . . 1 . . . . . . . . 5557 1 539 . 1 1 120 120 TYR CA C 13 58.678 . . 1 . . . . . . . . 5557 1 540 . 1 1 120 120 TYR C C 13 173.657 . . 1 . . . . . . . . 5557 1 541 . 1 1 121 121 ILE N N 15 119.799 . . 1 . . . . . . . . 5557 1 542 . 1 1 121 121 ILE H H 1 7.421 . . 1 . . . . . . . . 5557 1 543 . 1 1 121 121 ILE CA C 13 58.362 . . 1 . . . . . . . . 5557 1 544 . 1 1 121 121 ILE CB C 13 37.636 . . 1 . . . . . . . . 5557 1 545 . 1 1 122 122 PRO CA C 13 62.349 . . 1 . . . . . . . . 5557 1 546 . 1 1 122 122 PRO CB C 13 31.569 . . 1 . . . . . . . . 5557 1 547 . 1 1 123 123 LEU C C 13 174.861 . . 1 . . . . . . . . 5557 1 548 . 1 1 123 123 LEU N N 15 122.834 . . 1 . . . . . . . . 5557 1 549 . 1 1 123 123 LEU H H 1 8.549 . . 1 . . . . . . . . 5557 1 550 . 1 1 123 123 LEU CA C 13 51.198 . . 1 . . . . . . . . 5557 1 551 . 1 1 123 123 LEU CB C 13 43.139 . . 1 . . . . . . . . 5557 1 552 . 1 1 124 124 PRO CA C 13 61.741 . . 1 . . . . . . . . 5557 1 553 . 1 1 124 124 PRO CB C 13 31.788 . . 1 . . . . . . . . 5557 1 554 . 1 1 124 124 PRO C C 13 175.275 . . 1 . . . . . . . . 5557 1 555 . 1 1 125 125 VAL N N 15 117.976 . . 1 . . . . . . . . 5557 1 556 . 1 1 125 125 VAL H H 1 8.674 . . 1 . . . . . . . . 5557 1 557 . 1 1 125 125 VAL CA C 13 60.464 . . 1 . . . . . . . . 5557 1 558 . 1 1 125 125 VAL CB C 13 34.304 . . 1 . . . . . . . . 5557 1 559 . 1 1 125 125 VAL C C 13 173.345 . . 1 . . . . . . . . 5557 1 560 . 1 1 126 126 LEU N N 15 126.373 . . 1 . . . . . . . . 5557 1 561 . 1 1 126 126 LEU H H 1 7.282 . . 1 . . . . . . . . 5557 1 562 . 1 1 126 126 LEU CA C 13 54.023 . . 1 . . . . . . . . 5557 1 563 . 1 1 126 126 LEU CB C 13 43.927 . . 1 . . . . . . . . 5557 1 564 . 1 1 126 126 LEU C C 13 174.950 . . 1 . . . . . . . . 5557 1 565 . 1 1 127 127 LEU N N 15 123.900 . . 1 . . . . . . . . 5557 1 566 . 1 1 127 127 LEU H H 1 8.834 . . 1 . . . . . . . . 5557 1 567 . 1 1 127 127 LEU CA C 13 51.416 . . 1 . . . . . . . . 5557 1 568 . 1 1 127 127 LEU CB C 13 44.070 . . 1 . . . . . . . . 5557 1 569 . 1 1 128 128 PRO CA C 13 61.791 . . 1 . . . . . . . . 5557 1 570 . 1 1 128 128 PRO CB C 13 32.348 . . 1 . . . . . . . . 5557 1 571 . 1 1 129 129 LEU C C 13 174.115 . . 1 . . . . . . . . 5557 1 572 . 1 1 129 129 LEU N N 15 121.768 . . 1 . . . . . . . . 5557 1 573 . 1 1 129 129 LEU H H 1 8.050 . . 1 . . . . . . . . 5557 1 574 . 1 1 129 129 LEU CA C 13 53.511 . . 1 . . . . . . . . 5557 1 575 . 1 1 129 129 LEU CB C 13 46.769 . . 1 . . . . . . . . 5557 1 576 . 1 1 130 130 ALA C C 13 175.191 . . 1 . . . . . . . . 5557 1 577 . 1 1 130 130 ALA N N 15 121.742 . . 1 . . . . . . . . 5557 1 578 . 1 1 130 130 ALA H H 1 8.107 . . 1 . . . . . . . . 5557 1 579 . 1 1 130 130 ALA CA C 13 50.722 . . 1 . . . . . . . . 5557 1 580 . 1 1 130 130 ALA CB C 13 22.336 . . 1 . . . . . . . . 5557 1 581 . 1 1 131 131 SER N N 15 113.918 . . 1 . . . . . . . . 5557 1 582 . 1 1 131 131 SER H H 1 8.827 . . 1 . . . . . . . . 5557 1 583 . 1 1 131 131 SER CA C 13 57.424 . . 1 . . . . . . . . 5557 1 584 . 1 1 131 131 SER CB C 13 65.326 . . 1 . . . . . . . . 5557 1 585 . 1 1 132 132 VAL C C 13 172.478 . . 1 . . . . . . . . 5557 1 586 . 1 1 132 132 VAL N N 15 115.529 . . 1 . . . . . . . . 5557 1 587 . 1 1 132 132 VAL H H 1 8.620 . . 1 . . . . . . . . 5557 1 588 . 1 1 132 132 VAL CA C 13 59.369 . . 1 . . . . . . . . 5557 1 589 . 1 1 132 132 VAL CB C 13 33.869 . . 1 . . . . . . . . 5557 1 590 . 1 1 133 133 GLY C C 13 173.760 . . 1 . . . . . . . . 5557 1 591 . 1 1 133 133 GLY N N 15 111.765 . . 1 . . . . . . . . 5557 1 592 . 1 1 133 133 GLY H H 1 8.707 . . 1 . . . . . . . . 5557 1 593 . 1 1 133 133 GLY CA C 13 45.357 . . 1 . . . . . . . . 5557 1 594 . 1 1 134 134 TYR C C 13 169.510 . . 1 . . . . . . . . 5557 1 595 . 1 1 134 134 TYR N N 15 119.614 . . 1 . . . . . . . . 5557 1 596 . 1 1 134 134 TYR H H 1 8.361 . . 1 . . . . . . . . 5557 1 597 . 1 1 134 134 TYR CA C 13 56.570 . . 1 . . . . . . . . 5557 1 598 . 1 1 134 134 TYR CB C 13 40.914 . . 1 . . . . . . . . 5557 1 599 . 1 1 135 135 GLY C C 13 175.506 . . 1 . . . . . . . . 5557 1 600 . 1 1 135 135 GLY N N 15 116.295 . . 1 . . . . . . . . 5557 1 601 . 1 1 135 135 GLY H H 1 8.883 . . 1 . . . . . . . . 5557 1 602 . 1 1 135 135 GLY CA C 13 44.065 . . 1 . . . . . . . . 5557 1 603 . 1 1 136 136 PRO CA C 13 63.595 . . 1 . . . . . . . . 5557 1 604 . 1 1 136 136 PRO CB C 13 32.524 . . 1 . . . . . . . . 5557 1 605 . 1 1 137 137 VAL N N 15 124.135 . . 1 . . . . . . . . 5557 1 606 . 1 1 137 137 VAL H H 1 7.621 . . 1 . . . . . . . . 5557 1 607 . 1 1 137 137 VAL CA C 13 65.840 . . 1 . . . . . . . . 5557 1 608 . 1 1 137 137 VAL CB C 13 32.442 . . 1 . . . . . . . . 5557 1 609 . 1 1 138 138 THR C C 13 173.162 . . 1 . . . . . . . . 5557 1 610 . 1 1 138 138 THR N N 15 122.933 . . 1 . . . . . . . . 5557 1 611 . 1 1 138 138 THR H H 1 8.180 . . 1 . . . . . . . . 5557 1 612 . 1 1 138 138 THR CA C 13 61.923 . . 1 . . . . . . . . 5557 1 613 . 1 1 138 138 THR CB C 13 70.577 . . 1 . . . . . . . . 5557 1 614 . 1 1 139 139 PHE C C 13 171.570 . . 1 . . . . . . . . 5557 1 615 . 1 1 139 139 PHE N N 15 130.192 . . 1 . . . . . . . . 5557 1 616 . 1 1 139 139 PHE H H 1 9.135 . . 1 . . . . . . . . 5557 1 617 . 1 1 139 139 PHE CA C 13 56.489 . . 1 . . . . . . . . 5557 1 618 . 1 1 139 139 PHE CB C 13 39.219 . . 1 . . . . . . . . 5557 1 619 . 1 1 140 140 GLN C C 13 171.849 . . 1 . . . . . . . . 5557 1 620 . 1 1 140 140 GLN N N 15 130.189 . . 1 . . . . . . . . 5557 1 621 . 1 1 140 140 GLN H H 1 8.136 . . 1 . . . . . . . . 5557 1 622 . 1 1 140 140 GLN CA C 13 52.975 . . 1 . . . . . . . . 5557 1 623 . 1 1 140 140 GLN CB C 13 32.808 . . 1 . . . . . . . . 5557 1 624 . 1 1 141 141 MET C C 13 170.778 . . 1 . . . . . . . . 5557 1 625 . 1 1 141 141 MET N N 15 119.516 . . 1 . . . . . . . . 5557 1 626 . 1 1 141 141 MET H H 1 8.455 . . 1 . . . . . . . . 5557 1 627 . 1 1 141 141 MET CA C 13 53.540 . . 1 . . . . . . . . 5557 1 628 . 1 1 141 141 MET CB C 13 36.802 . . 1 . . . . . . . . 5557 1 629 . 1 1 142 142 THR C C 13 172.230 . . 1 . . . . . . . . 5557 1 630 . 1 1 142 142 THR N N 15 112.432 . . 1 . . . . . . . . 5557 1 631 . 1 1 142 142 THR H H 1 8.467 . . 1 . . . . . . . . 5557 1 632 . 1 1 142 142 THR CA C 13 59.418 . . 1 . . . . . . . . 5557 1 633 . 1 1 142 142 THR CB C 13 70.406 . . 1 . . . . . . . . 5557 1 634 . 1 1 143 143 TYR C C 13 172.123 . . 1 . . . . . . . . 5557 1 635 . 1 1 143 143 TYR N N 15 124.262 . . 1 . . . . . . . . 5557 1 636 . 1 1 143 143 TYR H H 1 7.728 . . 1 . . . . . . . . 5557 1 637 . 1 1 143 143 TYR CA C 13 55.569 . . 1 . . . . . . . . 5557 1 638 . 1 1 143 143 TYR CB C 13 42.162 . . 1 . . . . . . . . 5557 1 639 . 1 1 144 144 ILE C C 13 172.535 . . 1 . . . . . . . . 5557 1 640 . 1 1 144 144 ILE N N 15 125.856 . . 1 . . . . . . . . 5557 1 641 . 1 1 144 144 ILE H H 1 8.267 . . 1 . . . . . . . . 5557 1 642 . 1 1 144 144 ILE CA C 13 57.272 . . 1 . . . . . . . . 5557 1 643 . 1 1 144 144 ILE CB C 13 37.514 . . 1 . . . . . . . . 5557 1 644 . 1 1 145 145 PRO CA C 13 62.000 . . 1 . . . . . . . . 5557 1 645 . 1 1 145 145 PRO CB C 13 32.330 . . 1 . . . . . . . . 5557 1 646 . 1 1 146 146 GLY C C 13 177.131 . . 1 . . . . . . . . 5557 1 647 . 1 1 146 146 GLY N N 15 108.626 . . 1 . . . . . . . . 5557 1 648 . 1 1 146 146 GLY H H 1 8.924 . . 1 . . . . . . . . 5557 1 649 . 1 1 146 146 GLY CA C 13 46.169 . . 1 . . . . . . . . 5557 1 650 . 1 1 147 147 THR C C 13 174.007 . . 1 . . . . . . . . 5557 1 651 . 1 1 147 147 THR N N 15 111.385 . . 1 . . . . . . . . 5557 1 652 . 1 1 147 147 THR H H 1 7.324 . . 1 . . . . . . . . 5557 1 653 . 1 1 147 147 THR CA C 13 62.149 . . 1 . . . . . . . . 5557 1 654 . 1 1 147 147 THR CB C 13 68.750 . . 1 . . . . . . . . 5557 1 655 . 1 1 148 148 TYR C C 13 174.935 . . 1 . . . . . . . . 5557 1 656 . 1 1 148 148 TYR N N 15 121.290 . . 1 . . . . . . . . 5557 1 657 . 1 1 148 148 TYR H H 1 7.723 . . 1 . . . . . . . . 5557 1 658 . 1 1 148 148 TYR CA C 13 57.671 . . 1 . . . . . . . . 5557 1 659 . 1 1 148 148 TYR CB C 13 37.401 . . 1 . . . . . . . . 5557 1 660 . 1 1 150 150 ASN CA C 13 53.005 . . 1 . . . . . . . . 5557 1 661 . 1 1 150 150 ASN CB C 13 37.791 . . 1 . . . . . . . . 5557 1 662 . 1 1 150 150 ASN C C 13 174.126 . . 1 . . . . . . . . 5557 1 663 . 1 1 151 151 GLY N N 15 105.008 . . 1 . . . . . . . . 5557 1 664 . 1 1 151 151 GLY H H 1 7.450 . . 1 . . . . . . . . 5557 1 665 . 1 1 151 151 GLY CA C 13 44.652 . . 1 . . . . . . . . 5557 1 666 . 1 1 151 151 GLY C C 13 173.998 . . 1 . . . . . . . . 5557 1 667 . 1 1 152 152 ASN N N 15 116.808 . . 1 . . . . . . . . 5557 1 668 . 1 1 152 152 ASN H H 1 8.180 . . 1 . . . . . . . . 5557 1 669 . 1 1 152 152 ASN CA C 13 54.022 . . 1 . . . . . . . . 5557 1 670 . 1 1 152 152 ASN CB C 13 37.752 . . 1 . . . . . . . . 5557 1 671 . 1 1 154 154 TYR CA C 13 56.538 . . 1 . . . . . . . . 5557 1 672 . 1 1 154 154 TYR CB C 13 39.202 . . 1 . . . . . . . . 5557 1 673 . 1 1 154 154 TYR C C 13 174.590 . . 1 . . . . . . . . 5557 1 674 . 1 1 155 155 PHE N N 15 125.810 . . 1 . . . . . . . . 5557 1 675 . 1 1 155 155 PHE H H 1 8.097 . . 1 . . . . . . . . 5557 1 676 . 1 1 155 155 PHE CA C 13 54.966 . . 1 . . . . . . . . 5557 1 677 . 1 1 155 155 PHE CB C 13 42.155 . . 1 . . . . . . . . 5557 1 678 . 1 1 155 155 PHE C C 13 171.801 . . 1 . . . . . . . . 5557 1 679 . 1 1 156 156 ALA N N 15 127.612 . . 1 . . . . . . . . 5557 1 680 . 1 1 156 156 ALA H H 1 8.577 . . 1 . . . . . . . . 5557 1 681 . 1 1 156 156 ALA CA C 13 49.596 . . 1 . . . . . . . . 5557 1 682 . 1 1 156 156 ALA CB C 13 23.856 . . 1 . . . . . . . . 5557 1 683 . 1 1 156 156 ALA C C 13 175.675 . . 1 . . . . . . . . 5557 1 684 . 1 1 157 157 TRP N N 15 120.569 . . 1 . . . . . . . . 5557 1 685 . 1 1 157 157 TRP H H 1 8.529 . . 1 . . . . . . . . 5557 1 686 . 1 1 157 157 TRP CA C 13 55.445 . . 1 . . . . . . . . 5557 1 687 . 1 1 157 157 TRP CB C 13 31.392 . . 1 . . . . . . . . 5557 1 688 . 1 1 157 157 TRP C C 13 171.938 . . 1 . . . . . . . . 5557 1 689 . 1 1 158 158 MET N N 15 116.662 . . 1 . . . . . . . . 5557 1 690 . 1 1 158 158 MET H H 1 8.649 . . 1 . . . . . . . . 5557 1 691 . 1 1 158 158 MET CA C 13 52.536 . . 1 . . . . . . . . 5557 1 692 . 1 1 158 158 MET CB C 13 33.916 . . 1 . . . . . . . . 5557 1 693 . 1 1 158 158 MET C C 13 174.679 . . 1 . . . . . . . . 5557 1 694 . 1 1 159 159 ARG N N 15 126.635 . . 1 . . . . . . . . 5557 1 695 . 1 1 159 159 ARG H H 1 9.315 . . 1 . . . . . . . . 5557 1 696 . 1 1 159 159 ARG CA C 13 53.581 . . 1 . . . . . . . . 5557 1 697 . 1 1 159 159 ARG CB C 13 32.809 . . 1 . . . . . . . . 5557 1 698 . 1 1 159 159 ARG C C 13 174.907 . . 1 . . . . . . . . 5557 1 699 . 1 1 160 160 PHE N N 15 128.188 . . 1 . . . . . . . . 5557 1 700 . 1 1 160 160 PHE H H 1 9.324 . . 1 . . . . . . . . 5557 1 701 . 1 1 160 160 PHE CA C 13 55.332 . . 1 . . . . . . . . 5557 1 702 . 1 1 160 160 PHE CB C 13 40.883 . . 1 . . . . . . . . 5557 1 703 . 1 1 160 160 PHE C C 13 173.713 . . 1 . . . . . . . . 5557 1 704 . 1 1 161 161 GLN N N 15 128.157 . . 1 . . . . . . . . 5557 1 705 . 1 1 161 161 GLN H H 1 8.567 . . 1 . . . . . . . . 5557 1 706 . 1 1 161 161 GLN CA C 13 55.217 . . 1 . . . . . . . . 5557 1 707 . 1 1 161 161 GLN CB C 13 31.202 . . 1 . . . . . . . . 5557 1 708 . 1 1 161 161 GLN C C 13 174.758 . . 1 . . . . . . . . 5557 1 709 . 1 1 162 162 PHE N N 15 125.076 . . 1 . . . . . . . . 5557 1 710 . 1 1 162 162 PHE H H 1 8.921 . . 1 . . . . . . . . 5557 1 711 . 1 1 162 162 PHE CA C 13 57.386 . . 1 . . . . . . . . 5557 1 712 . 1 1 162 162 PHE CB C 13 41.021 . . 1 . . . . . . . . 5557 1 713 . 1 1 163 163 LEU N N 15 119.188 . . 1 . . . . . . . . 5557 1 714 . 1 1 163 163 LEU H H 1 8.159 . . 1 . . . . . . . . 5557 1 715 . 1 1 163 163 LEU CA C 13 55.387 . . 1 . . . . . . . . 5557 1 716 . 1 1 163 163 LEU CB C 13 42.574 . . 1 . . . . . . . . 5557 1 717 . 1 1 163 163 LEU C C 13 176.223 . . 1 . . . . . . . . 5557 1 718 . 1 1 164 164 GLU N N 15 123.575 . . 1 . . . . . . . . 5557 1 719 . 1 1 164 164 GLU H H 1 8.502 . . 1 . . . . . . . . 5557 1 720 . 1 1 164 164 GLU CA C 13 55.583 . . 1 . . . . . . . . 5557 1 721 . 1 1 164 164 GLU CB C 13 30.195 . . 1 . . . . . . . . 5557 1 722 . 1 1 164 164 GLU C C 13 175.814 . . 1 . . . . . . . . 5557 1 723 . 1 1 165 165 HIS N N 15 123.252 . . 1 . . . . . . . . 5557 1 724 . 1 1 165 165 HIS H H 1 8.310 . . 1 . . . . . . . . 5557 1 725 . 1 1 165 165 HIS CA C 13 55.781 . . 1 . . . . . . . . 5557 1 726 . 1 1 165 165 HIS CB C 13 30.008 . . 1 . . . . . . . . 5557 1 stop_ save_ save_chemical_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2 _Assigned_chem_shift_list.Entry_ID 5557 _Assigned_chem_shift_list.ID 2 _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 . . 2 $sample_2 . 5557 2 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 2 2 ASN CA C 13 52.135 . . 1 . . . . . . . . 5557 2 2 . 1 1 2 2 ASN CB C 13 38.562 . . 1 . . . . . . . . 5557 2 3 . 1 1 2 2 ASN C C 13 175.104 . . 1 . . . . . . . . 5557 2 4 . 1 1 3 3 ALA N N 15 124.341 . . 1 . . . . . . . . 5557 2 5 . 1 1 3 3 ALA H H 1 8.503 . . 1 . . . . . . . . 5557 2 6 . 1 1 3 3 ALA CA C 13 54.703 . . 1 . . . . . . . . 5557 2 7 . 1 1 3 3 ALA CB C 13 17.961 . . 1 . . . . . . . . 5557 2 8 . 1 1 3 3 ALA C C 13 178.245 . . 1 . . . . . . . . 5557 2 9 . 1 1 4 4 ASP N N 15 117.586 . . 1 . . . . . . . . 5557 2 10 . 1 1 4 4 ASP H H 1 8.072 . . 1 . . . . . . . . 5557 2 11 . 1 1 4 4 ASP CA C 13 56.531 . . 1 . . . . . . . . 5557 2 12 . 1 1 4 4 ASP CB C 13 39.763 . . 1 . . . . . . . . 5557 2 13 . 1 1 4 4 ASP C C 13 178.559 . . 1 . . . . . . . . 5557 2 14 . 1 1 5 5 GLU N N 15 121.488 . . 1 . . . . . . . . 5557 2 15 . 1 1 5 5 GLU H H 1 7.984 . . 1 . . . . . . . . 5557 2 16 . 1 1 5 5 GLU CA C 13 58.256 . . 1 . . . . . . . . 5557 2 17 . 1 1 5 5 GLU CB C 13 28.727 . . 1 . . . . . . . . 5557 2 18 . 1 1 5 5 GLU C C 13 179.233 . . 1 . . . . . . . . 5557 2 19 . 1 1 6 6 TRP N N 15 122.186 . . 1 . . . . . . . . 5557 2 20 . 1 1 6 6 TRP H H 1 8.043 . . 1 . . . . . . . . 5557 2 21 . 1 1 6 6 TRP CA C 13 60.358 . . 1 . . . . . . . . 5557 2 22 . 1 1 6 6 TRP CB C 13 28.467 . . 1 . . . . . . . . 5557 2 23 . 1 1 6 6 TRP C C 13 178.131 . . 1 . . . . . . . . 5557 2 24 . 1 1 7 7 MET N N 15 118.984 . . 1 . . . . . . . . 5557 2 25 . 1 1 7 7 MET H H 1 8.220 . . 1 . . . . . . . . 5557 2 26 . 1 1 7 7 MET CA C 13 58.162 . . 1 . . . . . . . . 5557 2 27 . 1 1 7 7 MET CB C 13 31.131 . . 1 . . . . . . . . 5557 2 28 . 1 1 7 7 MET C C 13 178.480 . . 1 . . . . . . . . 5557 2 29 . 1 1 8 8 THR N N 15 117.037 . . 1 . . . . . . . . 5557 2 30 . 1 1 8 8 THR H H 1 7.924 . . 1 . . . . . . . . 5557 2 31 . 1 1 8 8 THR CA C 13 66.428 . . 1 . . . . . . . . 5557 2 32 . 1 1 8 8 THR CB C 13 68.101 . . 1 . . . . . . . . 5557 2 33 . 1 1 8 8 THR C C 13 176.087 . . 1 . . . . . . . . 5557 2 34 . 1 1 9 9 THR N N 15 120.182 . . 1 . . . . . . . . 5557 2 35 . 1 1 9 9 THR H H 1 7.793 . . 1 . . . . . . . . 5557 2 36 . 1 1 9 9 THR CA C 13 66.290 . . 1 . . . . . . . . 5557 2 37 . 1 1 9 9 THR CB C 13 68.201 . . 1 . . . . . . . . 5557 2 38 . 1 1 9 9 THR C C 13 175.997 . . 1 . . . . . . . . 5557 2 39 . 1 1 10 10 PHE N N 15 123.494 . . 1 . . . . . . . . 5557 2 40 . 1 1 10 10 PHE H H 1 8.244 . . 1 . . . . . . . . 5557 2 41 . 1 1 10 10 PHE CA C 13 60.300 . . 1 . . . . . . . . 5557 2 42 . 1 1 11 11 ARG N N 15 118.349 . . 1 . . . . . . . . 5557 2 43 . 1 1 11 11 ARG H H 1 8.178 . . 1 . . . . . . . . 5557 2 44 . 1 1 11 11 ARG CA C 13 59.730 . . 1 . . . . . . . . 5557 2 45 . 1 1 11 11 ARG CB C 13 29.126 . . 1 . . . . . . . . 5557 2 46 . 1 1 11 11 ARG C C 13 178.604 . . 1 . . . . . . . . 5557 2 47 . 1 1 12 12 GLU N N 15 119.185 . . 1 . . . . . . . . 5557 2 48 . 1 1 12 12 GLU H H 1 8.160 . . 1 . . . . . . . . 5557 2 49 . 1 1 12 12 GLU CA C 13 58.509 . . 1 . . . . . . . . 5557 2 50 . 1 1 12 12 GLU CB C 13 27.846 . . 1 . . . . . . . . 5557 2 51 . 1 1 12 12 GLU C C 13 178.769 . . 1 . . . . . . . . 5557 2 52 . 1 1 13 13 ASN N N 15 119.565 . . 1 . . . . . . . . 5557 2 53 . 1 1 13 13 ASN H H 1 8.177 . . 1 . . . . . . . . 5557 2 54 . 1 1 13 13 ASN CA C 13 55.379 . . 1 . . . . . . . . 5557 2 55 . 1 1 13 13 ASN CB C 13 37.633 . . 1 . . . . . . . . 5557 2 56 . 1 1 13 13 ASN C C 13 179.481 . . 1 . . . . . . . . 5557 2 57 . 1 1 14 14 ILE N N 15 125.069 . . 1 . . . . . . . . 5557 2 58 . 1 1 14 14 ILE H H 1 7.838 . . 1 . . . . . . . . 5557 2 59 . 1 1 14 14 ILE CA C 13 65.809 . . 1 . . . . . . . . 5557 2 60 . 1 1 14 14 ILE CB C 13 36.771 . . 1 . . . . . . . . 5557 2 61 . 1 1 14 14 ILE C C 13 177.397 . . 1 . . . . . . . . 5557 2 62 . 1 1 15 15 ALA N N 15 123.285 . . 1 . . . . . . . . 5557 2 63 . 1 1 15 15 ALA H H 1 8.090 . . 1 . . . . . . . . 5557 2 64 . 1 1 15 15 ALA CA C 13 55.316 . . 1 . . . . . . . . 5557 2 65 . 1 1 15 15 ALA CB C 13 17.406 . . 1 . . . . . . . . 5557 2 66 . 1 1 15 15 ALA C C 13 179.983 . . 1 . . . . . . . . 5557 2 67 . 1 1 16 16 GLN N N 15 115.803 . . 1 . . . . . . . . 5557 2 68 . 1 1 16 16 GLN H H 1 8.332 . . 1 . . . . . . . . 5557 2 69 . 1 1 16 16 GLN CA C 13 58.324 . . 1 . . . . . . . . 5557 2 70 . 1 1 16 16 GLN CB C 13 27.751 . . 1 . . . . . . . . 5557 2 71 . 1 1 16 16 GLN C C 13 177.680 . . 1 . . . . . . . . 5557 2 72 . 1 1 17 17 THR N N 15 116.121 . . 1 . . . . . . . . 5557 2 73 . 1 1 17 17 THR H H 1 7.276 . . 1 . . . . . . . . 5557 2 74 . 1 1 17 17 THR CA C 13 66.814 . . 1 . . . . . . . . 5557 2 75 . 1 1 17 17 THR C C 13 171.813 . . 1 . . . . . . . . 5557 2 76 . 1 1 18 18 TRP N N 15 117.451 . . 1 . . . . . . . . 5557 2 77 . 1 1 18 18 TRP H H 1 7.246 . . 1 . . . . . . . . 5557 2 78 . 1 1 18 18 TRP CA C 13 58.234 . . 1 . . . . . . . . 5557 2 79 . 1 1 18 18 TRP CB C 13 29.844 . . 1 . . . . . . . . 5557 2 80 . 1 1 18 18 TRP C C 13 176.775 . . 1 . . . . . . . . 5557 2 81 . 1 1 19 19 GLN N N 15 114.469 . . 1 . . . . . . . . 5557 2 82 . 1 1 19 19 GLN H H 1 8.245 . . 1 . . . . . . . . 5557 2 83 . 1 1 19 19 GLN CA C 13 57.409 . . 1 . . . . . . . . 5557 2 84 . 1 1 19 19 GLN CB C 13 29.106 . . 1 . . . . . . . . 5557 2 85 . 1 1 19 19 GLN C C 13 177.405 . . 1 . . . . . . . . 5557 2 86 . 1 1 20 20 GLN N N 15 117.573 . . 1 . . . . . . . . 5557 2 87 . 1 1 20 20 GLN H H 1 7.780 . . 1 . . . . . . . . 5557 2 88 . 1 1 20 20 GLN CA C 13 52.612 . . 1 . . . . . . . . 5557 2 89 . 1 1 20 20 GLN CB C 13 28.546 . . 1 . . . . . . . . 5557 2 90 . 1 1 20 20 GLN C C 13 171.654 . . 1 . . . . . . . . 5557 2 91 . 1 1 21 21 PRO CA C 13 63.420 . . 1 . . . . . . . . 5557 2 92 . 1 1 21 21 PRO CB C 13 30.921 . . 1 . . . . . . . . 5557 2 93 . 1 1 21 21 PRO C C 13 176.491 . . 1 . . . . . . . . 5557 2 94 . 1 1 22 22 GLU N N 15 118.084 . . 1 . . . . . . . . 5557 2 95 . 1 1 22 22 GLU H H 1 8.122 . . 1 . . . . . . . . 5557 2 96 . 1 1 22 22 GLU CA C 13 55.742 . . 1 . . . . . . . . 5557 2 97 . 1 1 23 23 HIS N N 15 115.067 . . 1 . . . . . . . . 5557 2 98 . 1 1 23 23 HIS H H 1 8.077 . . 1 . . . . . . . . 5557 2 99 . 1 1 23 23 HIS CA C 13 53.566 . . 1 . . . . . . . . 5557 2 100 . 1 1 23 23 HIS CB C 13 32.392 . . 1 . . . . . . . . 5557 2 101 . 1 1 23 23 HIS C C 13 173.279 . . 1 . . . . . . . . 5557 2 102 . 1 1 24 24 TYR N N 15 118.992 . . 1 . . . . . . . . 5557 2 103 . 1 1 24 24 TYR H H 1 8.152 . . 1 . . . . . . . . 5557 2 104 . 1 1 24 24 TYR CA C 13 55.351 . . 1 . . . . . . . . 5557 2 105 . 1 1 24 24 TYR CB C 13 40.047 . . 1 . . . . . . . . 5557 2 106 . 1 1 24 24 TYR C C 13 174.086 . . 1 . . . . . . . . 5557 2 107 . 1 1 25 25 ASP N N 15 120.710 . . 1 . . . . . . . . 5557 2 108 . 1 1 25 25 ASP H H 1 8.815 . . 1 . . . . . . . . 5557 2 109 . 1 1 25 25 ASP CA C 13 52.985 . . 1 . . . . . . . . 5557 2 110 . 1 1 25 25 ASP CB C 13 45.512 . . 1 . . . . . . . . 5557 2 111 . 1 1 25 25 ASP C C 13 174.793 . . 1 . . . . . . . . 5557 2 112 . 1 1 26 26 LEU N N 15 121.497 . . 1 . . . . . . . . 5557 2 113 . 1 1 26 26 LEU H H 1 9.093 . . 1 . . . . . . . . 5557 2 114 . 1 1 26 26 LEU CA C 13 53.158 . . 1 . . . . . . . . 5557 2 115 . 1 1 26 26 LEU CB C 13 45.519 . . 1 . . . . . . . . 5557 2 116 . 1 1 26 26 LEU C C 13 175.049 . . 1 . . . . . . . . 5557 2 117 . 1 1 27 27 TYR N N 15 124.688 . . 1 . . . . . . . . 5557 2 118 . 1 1 27 27 TYR H H 1 8.603 . . 1 . . . . . . . . 5557 2 119 . 1 1 27 27 TYR CA C 13 56.949 . . 1 . . . . . . . . 5557 2 120 . 1 1 27 27 TYR CB C 13 40.425 . . 1 . . . . . . . . 5557 2 121 . 1 1 27 27 TYR C C 13 175.405 . . 1 . . . . . . . . 5557 2 122 . 1 1 28 28 ILE N N 15 120.741 . . 1 . . . . . . . . 5557 2 123 . 1 1 28 28 ILE H H 1 9.137 . . 1 . . . . . . . . 5557 2 124 . 1 1 28 28 ILE CA C 13 56.534 . . 1 . . . . . . . . 5557 2 125 . 1 1 28 28 ILE CB C 13 40.197 . . 1 . . . . . . . . 5557 2 126 . 1 1 28 28 ILE C C 13 173.888 . . 1 . . . . . . . . 5557 2 127 . 1 1 29 29 PRO CA C 13 63.632 . . 1 . . . . . . . . 5557 2 128 . 1 1 29 29 PRO CB C 13 31.799 . . 1 . . . . . . . . 5557 2 129 . 1 1 29 29 PRO C C 13 173.873 . . 1 . . . . . . . . 5557 2 130 . 1 1 30 30 ALA N N 15 123.546 . . 1 . . . . . . . . 5557 2 131 . 1 1 30 30 ALA H H 1 9.067 . . 1 . . . . . . . . 5557 2 132 . 1 1 30 30 ALA CA C 13 52.994 . . 1 . . . . . . . . 5557 2 133 . 1 1 30 30 ALA CB C 13 20.473 . . 1 . . . . . . . . 5557 2 134 . 1 1 31 31 ILE N N 15 112.923 . . 1 . . . . . . . . 5557 2 135 . 1 1 31 31 ILE H H 1 7.648 . . 1 . . . . . . . . 5557 2 136 . 1 1 31 31 ILE CA C 13 59.933 . . 1 . . . . . . . . 5557 2 137 . 1 1 31 31 ILE CB C 13 40.836 . . 1 . . . . . . . . 5557 2 138 . 1 1 31 31 ILE C C 13 172.790 . . 1 . . . . . . . . 5557 2 139 . 1 1 32 32 THR N N 15 119.001 . . 1 . . . . . . . . 5557 2 140 . 1 1 32 32 THR H H 1 8.256 . . 1 . . . . . . . . 5557 2 141 . 1 1 32 32 THR CA C 13 59.461 . . 1 . . . . . . . . 5557 2 142 . 1 1 32 32 THR CB C 13 70.603 . . 1 . . . . . . . . 5557 2 143 . 1 1 32 32 THR C C 13 172.786 . . 1 . . . . . . . . 5557 2 144 . 1 1 33 33 TRP N N 15 123.901 . . 1 . . . . . . . . 5557 2 145 . 1 1 33 33 TRP H H 1 8.584 . . 1 . . . . . . . . 5557 2 146 . 1 1 33 33 TRP CA C 13 57.015 . . 1 . . . . . . . . 5557 2 147 . 1 1 33 33 TRP CB C 13 31.584 . . 1 . . . . . . . . 5557 2 148 . 1 1 33 33 TRP C C 13 173.870 . . 1 . . . . . . . . 5557 2 149 . 1 1 34 34 HIS N N 15 120.870 . . 1 . . . . . . . . 5557 2 150 . 1 1 34 34 HIS H H 1 8.550 . . 1 . . . . . . . . 5557 2 151 . 1 1 34 34 HIS CA C 13 55.036 . . 1 . . . . . . . . 5557 2 152 . 1 1 34 34 HIS CB C 13 28.987 . . 1 . . . . . . . . 5557 2 153 . 1 1 34 34 HIS C C 13 174.119 . . 1 . . . . . . . . 5557 2 154 . 1 1 35 35 ALA N N 15 126.252 . . 1 . . . . . . . . 5557 2 155 . 1 1 35 35 ALA H H 1 8.110 . . 1 . . . . . . . . 5557 2 156 . 1 1 35 35 ALA CA C 13 52.365 . . 1 . . . . . . . . 5557 2 157 . 1 1 35 35 ALA CB C 13 19.004 . . 1 . . . . . . . . 5557 2 158 . 1 1 35 35 ALA C C 13 178.110 . . 1 . . . . . . . . 5557 2 159 . 1 1 36 36 ARG N N 15 121.251 . . 1 . . . . . . . . 5557 2 160 . 1 1 36 36 ARG H H 1 8.234 . . 1 . . . . . . . . 5557 2 161 . 1 1 36 36 ARG CA C 13 56.908 . . 1 . . . . . . . . 5557 2 162 . 1 1 36 36 ARG CB C 13 29.561 . . 1 . . . . . . . . 5557 2 163 . 1 1 36 36 ARG C C 13 176.520 . . 1 . . . . . . . . 5557 2 164 . 1 1 37 37 PHE N N 15 118.809 . . 1 . . . . . . . . 5557 2 165 . 1 1 37 37 PHE H H 1 7.728 . . 1 . . . . . . . . 5557 2 166 . 1 1 37 37 PHE CA C 13 57.119 . . 1 . . . . . . . . 5557 2 167 . 1 1 37 37 PHE CB C 13 38.192 . . 1 . . . . . . . . 5557 2 168 . 1 1 37 37 PHE C C 13 175.456 . . 1 . . . . . . . . 5557 2 169 . 1 1 38 38 ALA N N 15 124.666 . . 1 . . . . . . . . 5557 2 170 . 1 1 38 38 ALA H H 1 7.635 . . 1 . . . . . . . . 5557 2 171 . 1 1 38 38 ALA CA C 13 51.979 . . 1 . . . . . . . . 5557 2 172 . 1 1 38 38 ALA CB C 13 18.526 . . 1 . . . . . . . . 5557 2 173 . 1 1 38 38 ALA C C 13 176.939 . . 1 . . . . . . . . 5557 2 174 . 1 1 39 39 TYR N N 15 119.183 . . 1 . . . . . . . . 5557 2 175 . 1 1 39 39 TYR H H 1 7.616 . . 1 . . . . . . . . 5557 2 176 . 1 1 39 39 TYR CA C 13 57.621 . . 1 . . . . . . . . 5557 2 177 . 1 1 39 39 TYR CB C 13 37.964 . . 1 . . . . . . . . 5557 2 178 . 1 1 39 39 TYR C C 13 175.374 . . 1 . . . . . . . . 5557 2 179 . 1 1 40 40 ASP N N 15 122.342 . . 1 . . . . . . . . 5557 2 180 . 1 1 40 40 ASP H H 1 7.973 . . 1 . . . . . . . . 5557 2 181 . 1 1 40 40 ASP CA C 13 53.698 . . 1 . . . . . . . . 5557 2 182 . 1 1 40 40 ASP CB C 13 40.451 . . 1 . . . . . . . . 5557 2 183 . 1 1 40 40 ASP C C 13 176.166 . . 1 . . . . . . . . 5557 2 184 . 1 1 41 41 LYS N N 15 122.272 . . 1 . . . . . . . . 5557 2 185 . 1 1 41 41 LYS H H 1 7.929 . . 1 . . . . . . . . 5557 2 186 . 1 1 41 41 LYS CA C 13 56.627 . . 1 . . . . . . . . 5557 2 187 . 1 1 41 41 LYS CB C 13 31.792 . . 1 . . . . . . . . 5557 2 188 . 1 1 41 41 LYS C C 13 176.742 . . 1 . . . . . . . . 5557 2 189 . 1 1 42 42 GLU N N 15 120.152 . . 1 . . . . . . . . 5557 2 190 . 1 1 42 42 GLU H H 1 8.156 . . 1 . . . . . . . . 5557 2 191 . 1 1 42 42 GLU CA C 13 56.411 . . 1 . . . . . . . . 5557 2 192 . 1 1 42 42 GLU CB C 13 29.063 . . 1 . . . . . . . . 5557 2 193 . 1 1 42 42 GLU C C 13 176.542 . . 1 . . . . . . . . 5557 2 194 . 1 1 43 43 LYS N N 15 121.619 . . 1 . . . . . . . . 5557 2 195 . 1 1 43 43 LYS H H 1 7.931 . . 1 . . . . . . . . 5557 2 196 . 1 1 43 43 LYS CA C 13 56.059 . . 1 . . . . . . . . 5557 2 197 . 1 1 43 43 LYS CB C 13 31.904 . . 1 . . . . . . . . 5557 2 198 . 1 1 43 43 LYS C C 13 176.570 . . 1 . . . . . . . . 5557 2 199 . 1 1 44 44 THR N N 15 115.030 . . 1 . . . . . . . . 5557 2 200 . 1 1 44 44 THR H H 1 7.865 . . 1 . . . . . . . . 5557 2 201 . 1 1 44 44 THR CA C 13 61.511 . . 1 . . . . . . . . 5557 2 202 . 1 1 44 44 THR CB C 13 69.279 . . 1 . . . . . . . . 5557 2 203 . 1 1 44 44 THR C C 13 174.199 . . 1 . . . . . . . . 5557 2 204 . 1 1 45 45 ASP N N 15 123.132 . . 1 . . . . . . . . 5557 2 205 . 1 1 45 45 ASP H H 1 8.118 . . 1 . . . . . . . . 5557 2 206 . 1 1 45 45 ASP CA C 13 53.935 . . 1 . . . . . . . . 5557 2 207 . 1 1 45 45 ASP CB C 13 40.472 . . 1 . . . . . . . . 5557 2 208 . 1 1 45 45 ASP C C 13 175.759 . . 1 . . . . . . . . 5557 2 209 . 1 1 46 46 ARG N N 15 121.152 . . 1 . . . . . . . . 5557 2 210 . 1 1 46 46 ARG H H 1 7.916 . . 1 . . . . . . . . 5557 2 211 . 1 1 46 46 ARG CA C 13 55.636 . . 1 . . . . . . . . 5557 2 212 . 1 1 46 46 ARG CB C 13 29.896 . . 1 . . . . . . . . 5557 2 213 . 1 1 46 46 ARG C C 13 175.734 . . 1 . . . . . . . . 5557 2 214 . 1 1 47 47 TYR N N 15 121.456 . . 1 . . . . . . . . 5557 2 215 . 1 1 47 47 TYR H H 1 7.940 . . 1 . . . . . . . . 5557 2 216 . 1 1 47 47 TYR CA C 13 57.334 . . 1 . . . . . . . . 5557 2 217 . 1 1 47 47 TYR CB C 13 38.134 . . 1 . . . . . . . . 5557 2 218 . 1 1 47 47 TYR C C 13 175.056 . . 1 . . . . . . . . 5557 2 219 . 1 1 48 48 ASN N N 15 120.708 . . 1 . . . . . . . . 5557 2 220 . 1 1 48 48 ASN H H 1 8.128 . . 1 . . . . . . . . 5557 2 221 . 1 1 48 48 ASN CA C 13 52.728 . . 1 . . . . . . . . 5557 2 222 . 1 1 48 48 ASN CB C 13 39.167 . . 1 . . . . . . . . 5557 2 223 . 1 1 48 48 ASN C C 13 174.394 . . 1 . . . . . . . . 5557 2 224 . 1 1 49 49 GLU N N 15 121.543 . . 1 . . . . . . . . 5557 2 225 . 1 1 49 49 GLU H H 1 8.216 . . 1 . . . . . . . . 5557 2 226 . 1 1 49 49 GLU CA C 13 55.392 . . 1 . . . . . . . . 5557 2 227 . 1 1 49 49 GLU CB C 13 30.253 . . 1 . . . . . . . . 5557 2 228 . 1 1 49 49 GLU C C 13 175.011 . . 1 . . . . . . . . 5557 2 229 . 1 1 50 50 ARG N N 15 123.307 . . 1 . . . . . . . . 5557 2 230 . 1 1 50 50 ARG H H 1 8.093 . . 1 . . . . . . . . 5557 2 231 . 1 1 50 50 ARG CA C 13 52.943 . . 1 . . . . . . . . 5557 2 232 . 1 1 50 50 ARG CB C 13 29.677 . . 1 . . . . . . . . 5557 2 233 . 1 1 50 50 ARG C C 13 173.759 . . 1 . . . . . . . . 5557 2 234 . 1 1 51 51 PRO CA C 13 61.789 . . 1 . . . . . . . . 5557 2 235 . 1 1 51 51 PRO CB C 13 30.852 . . 1 . . . . . . . . 5557 2 236 . 1 1 51 51 PRO C C 13 175.064 . . 1 . . . . . . . . 5557 2 237 . 1 1 52 52 TRP N N 15 122.576 . . 1 . . . . . . . . 5557 2 238 . 1 1 52 52 TRP H H 1 8.432 . . 1 . . . . . . . . 5557 2 239 . 1 1 52 52 TRP CA C 13 56.464 . . 1 . . . . . . . . 5557 2 240 . 1 1 52 52 TRP CB C 13 30.650 . . 1 . . . . . . . . 5557 2 241 . 1 1 52 52 TRP C C 13 175.643 . . 1 . . . . . . . . 5557 2 242 . 1 1 53 53 GLY N N 15 108.997 . . 1 . . . . . . . . 5557 2 243 . 1 1 53 53 GLY H H 1 7.838 . . 1 . . . . . . . . 5557 2 244 . 1 1 53 53 GLY CA C 13 45.147 . . 1 . . . . . . . . 5557 2 245 . 1 1 53 53 GLY C C 13 171.060 . . 1 . . . . . . . . 5557 2 246 . 1 1 54 54 GLY N N 15 104.229 . . 1 . . . . . . . . 5557 2 247 . 1 1 54 54 GLY H H 1 8.264 . . 1 . . . . . . . . 5557 2 248 . 1 1 54 54 GLY CA C 13 44.911 . . 1 . . . . . . . . 5557 2 249 . 1 1 54 54 GLY C C 13 171.009 . . 1 . . . . . . . . 5557 2 250 . 1 1 55 55 GLY N N 15 105.860 . . 1 . . . . . . . . 5557 2 251 . 1 1 55 55 GLY H H 1 8.508 . . 1 . . . . . . . . 5557 2 252 . 1 1 55 55 GLY CA C 13 46.259 . . 1 . . . . . . . . 5557 2 253 . 1 1 55 55 GLY C C 13 170.688 . . 1 . . . . . . . . 5557 2 254 . 1 1 56 56 PHE N N 15 119.448 . . 1 . . . . . . . . 5557 2 255 . 1 1 56 56 PHE H H 1 8.944 . . 1 . . . . . . . . 5557 2 256 . 1 1 56 56 PHE CA C 13 55.384 . . 1 . . . . . . . . 5557 2 257 . 1 1 56 56 PHE CB C 13 43.606 . . 1 . . . . . . . . 5557 2 258 . 1 1 56 56 PHE C C 13 173.500 . . 1 . . . . . . . . 5557 2 259 . 1 1 57 57 GLY N N 15 107.996 . . 1 . . . . . . . . 5557 2 260 . 1 1 57 57 GLY H H 1 8.883 . . 1 . . . . . . . . 5557 2 261 . 1 1 57 57 GLY CA C 13 46.600 . . 1 . . . . . . . . 5557 2 262 . 1 1 57 57 GLY C C 13 171.592 . . 1 . . . . . . . . 5557 2 263 . 1 1 58 58 LEU N N 15 118.639 . . 1 . . . . . . . . 5557 2 264 . 1 1 58 58 LEU H H 1 8.821 . . 1 . . . . . . . . 5557 2 265 . 1 1 58 58 LEU CA C 13 52.849 . . 1 . . . . . . . . 5557 2 266 . 1 1 58 58 LEU CB C 13 45.395 . . 1 . . . . . . . . 5557 2 267 . 1 1 58 58 LEU C C 13 177.420 . . 1 . . . . . . . . 5557 2 268 . 1 1 59 59 SER N N 15 114.506 . . 1 . . . . . . . . 5557 2 269 . 1 1 59 59 SER H H 1 8.641 . . 1 . . . . . . . . 5557 2 270 . 1 1 59 59 SER CA C 13 57.301 . . 1 . . . . . . . . 5557 2 271 . 1 1 59 59 SER CB C 13 65.499 . . 1 . . . . . . . . 5557 2 272 . 1 1 59 59 SER C C 13 174.209 . . 1 . . . . . . . . 5557 2 273 . 1 1 60 60 ARG N N 15 116.603 . . 1 . . . . . . . . 5557 2 274 . 1 1 60 60 ARG H H 1 8.661 . . 1 . . . . . . . . 5557 2 275 . 1 1 60 60 ARG CA C 13 54.724 . . 1 . . . . . . . . 5557 2 276 . 1 1 60 60 ARG CB C 13 32.086 . . 1 . . . . . . . . 5557 2 277 . 1 1 60 60 ARG C C 13 172.058 . . 1 . . . . . . . . 5557 2 278 . 1 1 61 61 TRP C C 13 177.852 . . 1 . . . . . . . . 5557 2 279 . 1 1 62 62 ASP N N 15 123.527 . . 1 . . . . . . . . 5557 2 280 . 1 1 62 62 ASP H H 1 9.271 . . 1 . . . . . . . . 5557 2 281 . 1 1 62 62 ASP CA C 13 52.248 . . 1 . . . . . . . . 5557 2 282 . 1 1 62 62 ASP CB C 13 41.451 . . 1 . . . . . . . . 5557 2 283 . 1 1 62 62 ASP C C 13 178.038 . . 1 . . . . . . . . 5557 2 284 . 1 1 63 63 GLU N N 15 119.061 . . 1 . . . . . . . . 5557 2 285 . 1 1 63 63 GLU H H 1 9.113 . . 1 . . . . . . . . 5557 2 286 . 1 1 63 63 GLU CA C 13 58.591 . . 1 . . . . . . . . 5557 2 287 . 1 1 63 63 GLU CB C 13 27.886 . . 1 . . . . . . . . 5557 2 288 . 1 1 63 63 GLU C C 13 177.741 . . 1 . . . . . . . . 5557 2 289 . 1 1 64 64 LYS N N 15 120.321 . . 1 . . . . . . . . 5557 2 290 . 1 1 64 64 LYS H H 1 8.069 . . 1 . . . . . . . . 5557 2 291 . 1 1 64 64 LYS CA C 13 55.709 . . 1 . . . . . . . . 5557 2 292 . 1 1 64 64 LYS CB C 13 31.772 . . 1 . . . . . . . . 5557 2 293 . 1 1 64 64 LYS C C 13 176.517 . . 1 . . . . . . . . 5557 2 294 . 1 1 65 65 GLY N N 15 108.997 . . 1 . . . . . . . . 5557 2 295 . 1 1 65 65 GLY H H 1 8.302 . . 1 . . . . . . . . 5557 2 296 . 1 1 65 65 GLY CA C 13 44.685 . . 1 . . . . . . . . 5557 2 297 . 1 1 65 65 GLY C C 13 174.048 . . 1 . . . . . . . . 5557 2 298 . 1 1 66 66 ASN N N 15 120.639 . . 1 . . . . . . . . 5557 2 299 . 1 1 66 66 ASN H H 1 8.418 . . 1 . . . . . . . . 5557 2 300 . 1 1 66 66 ASN CA C 13 52.231 . . 1 . . . . . . . . 5557 2 301 . 1 1 66 66 ASN CB C 13 37.962 . . 1 . . . . . . . . 5557 2 302 . 1 1 66 66 ASN C C 13 174.288 . . 1 . . . . . . . . 5557 2 303 . 1 1 67 67 TRP N N 15 123.532 . . 1 . . . . . . . . 5557 2 304 . 1 1 67 67 TRP H H 1 7.644 . . 1 . . . . . . . . 5557 2 305 . 1 1 67 67 TRP CA C 13 58.491 . . 1 . . . . . . . . 5557 2 306 . 1 1 67 67 TRP CB C 13 30.041 . . 1 . . . . . . . . 5557 2 307 . 1 1 67 67 TRP C C 13 173.802 . . 1 . . . . . . . . 5557 2 308 . 1 1 68 68 HIS N N 15 122.922 . . 1 . . . . . . . . 5557 2 309 . 1 1 68 68 HIS H H 1 7.228 . . 1 . . . . . . . . 5557 2 310 . 1 1 68 68 HIS CA C 13 53.548 . . 1 . . . . . . . . 5557 2 311 . 1 1 68 68 HIS CB C 13 29.946 . . 1 . . . . . . . . 5557 2 312 . 1 1 69 69 GLY N N 15 107.711 . . 1 . . . . . . . . 5557 2 313 . 1 1 69 69 GLY H H 1 8.218 . . 1 . . . . . . . . 5557 2 314 . 1 1 69 69 GLY CA C 13 43.756 . . 1 . . . . . . . . 5557 2 315 . 1 1 69 69 GLY C C 13 171.874 . . 1 . . . . . . . . 5557 2 316 . 1 1 70 70 LEU N N 15 123.060 . . 1 . . . . . . . . 5557 2 317 . 1 1 70 70 LEU H H 1 8.868 . . 1 . . . . . . . . 5557 2 318 . 1 1 70 70 LEU CA C 13 52.807 . . 1 . . . . . . . . 5557 2 319 . 1 1 70 70 LEU CB C 13 44.893 . . 1 . . . . . . . . 5557 2 320 . 1 1 70 70 LEU C C 13 175.688 . . 1 . . . . . . . . 5557 2 321 . 1 1 71 71 TYR N N 15 119.346 . . 1 . . . . . . . . 5557 2 322 . 1 1 71 71 TYR H H 1 8.310 . . 1 . . . . . . . . 5557 2 323 . 1 1 71 71 TYR CA C 13 55.666 . . 1 . . . . . . . . 5557 2 324 . 1 1 71 71 TYR CB C 13 41.342 . . 1 . . . . . . . . 5557 2 325 . 1 1 71 71 TYR C C 13 172.309 . . 1 . . . . . . . . 5557 2 326 . 1 1 72 72 ALA N N 15 120.126 . . 1 . . . . . . . . 5557 2 327 . 1 1 72 72 ALA H H 1 8.564 . . 1 . . . . . . . . 5557 2 328 . 1 1 72 72 ALA CA C 13 50.852 . . 1 . . . . . . . . 5557 2 329 . 1 1 72 72 ALA CB C 13 20.625 . . 1 . . . . . . . . 5557 2 330 . 1 1 72 72 ALA C C 13 175.001 . . 1 . . . . . . . . 5557 2 331 . 1 1 73 73 MET N N 15 120.056 . . 1 . . . . . . . . 5557 2 332 . 1 1 73 73 MET H H 1 9.219 . . 1 . . . . . . . . 5557 2 333 . 1 1 73 73 MET CA C 13 53.632 . . 1 . . . . . . . . 5557 2 334 . 1 1 73 73 MET CB C 13 37.809 . . 1 . . . . . . . . 5557 2 335 . 1 1 73 73 MET C C 13 173.331 . . 1 . . . . . . . . 5557 2 336 . 1 1 74 74 ALA N N 15 121.723 . . 1 . . . . . . . . 5557 2 337 . 1 1 74 74 ALA H H 1 8.469 . . 1 . . . . . . . . 5557 2 338 . 1 1 74 74 ALA CA C 13 51.100 . . 1 . . . . . . . . 5557 2 339 . 1 1 74 74 ALA CB C 13 21.852 . . 1 . . . . . . . . 5557 2 340 . 1 1 74 74 ALA C C 13 174.912 . . 1 . . . . . . . . 5557 2 341 . 1 1 75 75 PHE N N 15 116.830 . . 1 . . . . . . . . 5557 2 342 . 1 1 75 75 PHE H H 1 7.874 . . 1 . . . . . . . . 5557 2 343 . 1 1 75 75 PHE CA C 13 55.119 . . 1 . . . . . . . . 5557 2 344 . 1 1 75 75 PHE CB C 13 41.667 . . 1 . . . . . . . . 5557 2 345 . 1 1 75 75 PHE C C 13 174.021 . . 1 . . . . . . . . 5557 2 346 . 1 1 76 76 LYS N N 15 122.786 . . 1 . . . . . . . . 5557 2 347 . 1 1 76 76 LYS H H 1 8.309 . . 1 . . . . . . . . 5557 2 348 . 1 1 76 76 LYS CA C 13 54.568 . . 1 . . . . . . . . 5557 2 349 . 1 1 76 76 LYS CB C 13 32.462 . . 1 . . . . . . . . 5557 2 350 . 1 1 76 76 LYS C C 13 175.985 . . 1 . . . . . . . . 5557 2 351 . 1 1 77 77 ASP N N 15 125.962 . . 1 . . . . . . . . 5557 2 352 . 1 1 77 77 ASP H H 1 8.653 . . 1 . . . . . . . . 5557 2 353 . 1 1 77 77 ASP CA C 13 52.235 . . 1 . . . . . . . . 5557 2 354 . 1 1 77 77 ASP CB C 13 41.485 . . 1 . . . . . . . . 5557 2 355 . 1 1 77 77 ASP C C 13 178.336 . . 1 . . . . . . . . 5557 2 356 . 1 1 78 78 SER N N 15 113.826 . . 1 . . . . . . . . 5557 2 357 . 1 1 78 78 SER H H 1 8.149 . . 1 . . . . . . . . 5557 2 358 . 1 1 78 78 SER CA C 13 60.499 . . 1 . . . . . . . . 5557 2 359 . 1 1 78 78 SER CB C 13 62.077 . . 1 . . . . . . . . 5557 2 360 . 1 1 78 78 SER C C 13 174.748 . . 1 . . . . . . . . 5557 2 361 . 1 1 79 79 TRP N N 15 123.479 . . 1 . . . . . . . . 5557 2 362 . 1 1 79 79 TRP H H 1 8.282 . . 1 . . . . . . . . 5557 2 363 . 1 1 79 79 TRP CA C 13 56.738 . . 1 . . . . . . . . 5557 2 364 . 1 1 79 79 TRP CB C 13 27.828 . . 1 . . . . . . . . 5557 2 365 . 1 1 79 79 TRP C C 13 175.461 . . 1 . . . . . . . . 5557 2 366 . 1 1 80 80 ASN N N 15 116.694 . . 1 . . . . . . . . 5557 2 367 . 1 1 80 80 ASN H H 1 8.338 . . 1 . . . . . . . . 5557 2 368 . 1 1 80 80 ASN CA C 13 53.873 . . 1 . . . . . . . . 5557 2 369 . 1 1 80 80 ASN CB C 13 37.131 . . 1 . . . . . . . . 5557 2 370 . 1 1 80 80 ASN C C 13 173.944 . . 1 . . . . . . . . 5557 2 371 . 1 1 81 81 LYS N N 15 119.707 . . 1 . . . . . . . . 5557 2 372 . 1 1 81 81 LYS H H 1 8.102 . . 1 . . . . . . . . 5557 2 373 . 1 1 81 81 LYS CA C 13 53.416 . . 1 . . . . . . . . 5557 2 374 . 1 1 81 81 LYS CB C 13 32.821 . . 1 . . . . . . . . 5557 2 375 . 1 1 81 81 LYS C C 13 176.454 . . 1 . . . . . . . . 5557 2 376 . 1 1 82 82 TRP N N 15 121.958 . . 1 . . . . . . . . 5557 2 377 . 1 1 82 82 TRP H H 1 8.446 . . 1 . . . . . . . . 5557 2 378 . 1 1 82 82 TRP CA C 13 57.774 . . 1 . . . . . . . . 5557 2 379 . 1 1 82 82 TRP CB C 13 30.119 . . 1 . . . . . . . . 5557 2 380 . 1 1 82 82 TRP C C 13 177.361 . . 1 . . . . . . . . 5557 2 381 . 1 1 83 83 GLU N N 15 125.575 . . 1 . . . . . . . . 5557 2 382 . 1 1 83 83 GLU H H 1 9.478 . . 1 . . . . . . . . 5557 2 383 . 1 1 83 83 GLU CA C 13 51.810 . . 1 . . . . . . . . 5557 2 384 . 1 1 83 83 GLU CB C 13 28.961 . . 1 . . . . . . . . 5557 2 385 . 1 1 83 83 GLU C C 13 173.581 . . 1 . . . . . . . . 5557 2 386 . 1 1 84 84 PRO CA C 13 60.321 . . 1 . . . . . . . . 5557 2 387 . 1 1 84 84 PRO CB C 13 32.522 . . 1 . . . . . . . . 5557 2 388 . 1 1 84 84 PRO C C 13 176.547 . . 1 . . . . . . . . 5557 2 389 . 1 1 85 85 ILE N N 15 122.740 . . 1 . . . . . . . . 5557 2 390 . 1 1 85 85 ILE H H 1 9.297 . . 1 . . . . . . . . 5557 2 391 . 1 1 85 85 ILE CA C 13 60.068 . . 1 . . . . . . . . 5557 2 392 . 1 1 85 85 ILE CB C 13 40.964 . . 1 . . . . . . . . 5557 2 393 . 1 1 85 85 ILE C C 13 171.550 . . 1 . . . . . . . . 5557 2 394 . 1 1 86 86 ALA N N 15 128.137 . . 1 . . . . . . . . 5557 2 395 . 1 1 86 86 ALA H H 1 8.319 . . 1 . . . . . . . . 5557 2 396 . 1 1 86 86 ALA CA C 13 50.011 . . 1 . . . . . . . . 5557 2 397 . 1 1 86 86 ALA CB C 13 21.275 . . 1 . . . . . . . . 5557 2 398 . 1 1 86 86 ALA C C 13 175.539 . . 1 . . . . . . . . 5557 2 399 . 1 1 87 87 GLY N N 15 105.702 . . 1 . . . . . . . . 5557 2 400 . 1 1 87 87 GLY H H 1 7.207 . . 1 . . . . . . . . 5557 2 401 . 1 1 87 87 GLY CA C 13 46.507 . . 1 . . . . . . . . 5557 2 402 . 1 1 87 87 GLY C C 13 169.083 . . 1 . . . . . . . . 5557 2 403 . 1 1 88 88 TYR N N 15 118.932 . . 1 . . . . . . . . 5557 2 404 . 1 1 88 88 TYR H H 1 8.768 . . 1 . . . . . . . . 5557 2 405 . 1 1 88 88 TYR CA C 13 54.110 . . 1 . . . . . . . . 5557 2 406 . 1 1 88 88 TYR CB C 13 42.437 . . 1 . . . . . . . . 5557 2 407 . 1 1 88 88 TYR C C 13 176.208 . . 1 . . . . . . . . 5557 2 408 . 1 1 89 89 GLY N N 15 120.937 . . 1 . . . . . . . . 5557 2 409 . 1 1 89 89 GLY H H 1 9.564 . . 1 . . . . . . . . 5557 2 410 . 1 1 89 89 GLY CA C 13 43.439 . . 1 . . . . . . . . 5557 2 411 . 1 1 89 89 GLY C C 13 177.411 . . 1 . . . . . . . . 5557 2 412 . 1 1 90 90 TRP N N 15 122.196 . . 1 . . . . . . . . 5557 2 413 . 1 1 90 90 TRP H H 1 8.157 . . 1 . . . . . . . . 5557 2 414 . 1 1 90 90 TRP CA C 13 54.623 . . 1 . . . . . . . . 5557 2 415 . 1 1 90 90 TRP CB C 13 31.227 . . 1 . . . . . . . . 5557 2 416 . 1 1 90 90 TRP C C 13 175.697 . . 1 . . . . . . . . 5557 2 417 . 1 1 91 91 GLU N N 15 121.533 . . 1 . . . . . . . . 5557 2 418 . 1 1 91 91 GLU H H 1 7.691 . . 1 . . . . . . . . 5557 2 419 . 1 1 91 91 GLU CA C 13 54.937 . . 1 . . . . . . . . 5557 2 420 . 1 1 91 91 GLU CB C 13 33.863 . . 1 . . . . . . . . 5557 2 421 . 1 1 91 91 GLU C C 13 176.250 . . 1 . . . . . . . . 5557 2 422 . 1 1 92 92 SER N N 15 121.492 . . 1 . . . . . . . . 5557 2 423 . 1 1 92 92 SER H H 1 7.506 . . 1 . . . . . . . . 5557 2 424 . 1 1 92 92 SER CA C 13 57.424 . . 1 . . . . . . . . 5557 2 425 . 1 1 92 92 SER CB C 13 62.531 . . 1 . . . . . . . . 5557 2 426 . 1 1 92 92 SER C C 13 174.058 . . 1 . . . . . . . . 5557 2 427 . 1 1 93 93 THR N N 15 123.324 . . 1 . . . . . . . . 5557 2 428 . 1 1 93 93 THR H H 1 7.932 . . 1 . . . . . . . . 5557 2 429 . 1 1 93 93 THR CA C 13 61.737 . . 1 . . . . . . . . 5557 2 430 . 1 1 93 93 THR CB C 13 70.038 . . 1 . . . . . . . . 5557 2 431 . 1 1 93 93 THR C C 13 172.837 . . 1 . . . . . . . . 5557 2 432 . 1 1 94 94 TRP N N 15 129.544 . . 1 . . . . . . . . 5557 2 433 . 1 1 94 94 TRP H H 1 9.937 . . 1 . . . . . . . . 5557 2 434 . 1 1 94 94 TRP CA C 13 56.978 . . 1 . . . . . . . . 5557 2 435 . 1 1 94 94 TRP CB C 13 32.378 . . 1 . . . . . . . . 5557 2 436 . 1 1 94 94 TRP C C 13 174.899 . . 1 . . . . . . . . 5557 2 437 . 1 1 95 95 ARG N N 15 123.508 . . 1 . . . . . . . . 5557 2 438 . 1 1 95 95 ARG H H 1 8.488 . . 1 . . . . . . . . 5557 2 439 . 1 1 95 95 ARG CA C 13 53.019 . . 1 . . . . . . . . 5557 2 440 . 1 1 95 95 ARG CB C 13 29.450 . . 1 . . . . . . . . 5557 2 441 . 1 1 95 95 ARG C C 13 174.884 . . 1 . . . . . . . . 5557 2 442 . 1 1 98 98 ALA N N 15 122.322 . . 1 . . . . . . . . 5557 2 443 . 1 1 98 98 ALA H H 1 8.130 . . 1 . . . . . . . . 5557 2 444 . 1 1 98 98 ALA CA C 13 54.153 . . 1 . . . . . . . . 5557 2 445 . 1 1 98 98 ALA CB C 13 17.289 . . 1 . . . . . . . . 5557 2 446 . 1 1 98 98 ALA C C 13 178.859 . . 1 . . . . . . . . 5557 2 447 . 1 1 99 99 ASP N N 15 114.142 . . 1 . . . . . . . . 5557 2 448 . 1 1 99 99 ASP H H 1 6.920 . . 1 . . . . . . . . 5557 2 449 . 1 1 99 99 ASP CA C 13 52.753 . . 1 . . . . . . . . 5557 2 450 . 1 1 99 99 ASP CB C 13 39.726 . . 1 . . . . . . . . 5557 2 451 . 1 1 99 99 ASP C C 13 176.640 . . 1 . . . . . . . . 5557 2 452 . 1 1 100 100 GLU N N 15 127.977 . . 1 . . . . . . . . 5557 2 453 . 1 1 100 100 GLU H H 1 8.532 . . 1 . . . . . . . . 5557 2 454 . 1 1 100 100 GLU CA C 13 57.171 . . 1 . . . . . . . . 5557 2 455 . 1 1 101 101 ASN N N 15 116.332 . . 1 . . . . . . . . 5557 2 456 . 1 1 101 101 ASN H H 1 8.559 . . 1 . . . . . . . . 5557 2 457 . 1 1 101 101 ASN CA C 13 54.228 . . 1 . . . . . . . . 5557 2 458 . 1 1 101 101 ASN CB C 13 37.223 . . 1 . . . . . . . . 5557 2 459 . 1 1 101 101 ASN C C 13 176.122 . . 1 . . . . . . . . 5557 2 460 . 1 1 102 102 PHE N N 15 121.518 . . 1 . . . . . . . . 5557 2 461 . 1 1 102 102 PHE H H 1 7.306 . . 1 . . . . . . . . 5557 2 462 . 1 1 102 102 PHE CA C 13 57.560 . . 1 . . . . . . . . 5557 2 463 . 1 1 102 102 PHE CB C 13 38.380 . . 1 . . . . . . . . 5557 2 464 . 1 1 102 102 PHE C C 13 173.624 . . 1 . . . . . . . . 5557 2 465 . 1 1 103 103 HIS N N 15 122.457 . . 1 . . . . . . . . 5557 2 466 . 1 1 103 103 HIS H H 1 7.712 . . 1 . . . . . . . . 5557 2 467 . 1 1 103 103 HIS CA C 13 51.959 . . 1 . . . . . . . . 5557 2 468 . 1 1 104 104 LEU N N 15 122.206 . . 1 . . . . . . . . 5557 2 469 . 1 1 104 104 LEU H H 1 8.645 . . 1 . . . . . . . . 5557 2 470 . 1 1 104 104 LEU CA C 13 53.672 . . 1 . . . . . . . . 5557 2 471 . 1 1 104 104 LEU CB C 13 45.193 . . 1 . . . . . . . . 5557 2 472 . 1 1 104 104 LEU C C 13 175.218 . . 1 . . . . . . . . 5557 2 473 . 1 1 105 105 GLY N N 15 110.767 . . 1 . . . . . . . . 5557 2 474 . 1 1 105 105 GLY H H 1 8.735 . . 1 . . . . . . . . 5557 2 475 . 1 1 105 105 GLY CA C 13 45.096 . . 1 . . . . . . . . 5557 2 476 . 1 1 105 105 GLY C C 13 171.901 . . 1 . . . . . . . . 5557 2 477 . 1 1 106 106 LEU N N 15 119.189 . . 1 . . . . . . . . 5557 2 478 . 1 1 106 106 LEU H H 1 8.139 . . 1 . . . . . . . . 5557 2 479 . 1 1 106 106 LEU CA C 13 53.544 . . 1 . . . . . . . . 5557 2 480 . 1 1 106 106 LEU CB C 13 46.986 . . 1 . . . . . . . . 5557 2 481 . 1 1 106 106 LEU C C 13 175.910 . . 1 . . . . . . . . 5557 2 482 . 1 1 107 107 GLY N N 15 112.777 . . 1 . . . . . . . . 5557 2 483 . 1 1 107 107 GLY H H 1 9.312 . . 1 . . . . . . . . 5557 2 484 . 1 1 107 107 GLY CA C 13 46.590 . . 1 . . . . . . . . 5557 2 485 . 1 1 107 107 GLY C C 13 172.203 . . 1 . . . . . . . . 5557 2 486 . 1 1 108 108 PHE N N 15 121.774 . . 1 . . . . . . . . 5557 2 487 . 1 1 108 108 PHE H H 1 9.187 . . 1 . . . . . . . . 5557 2 488 . 1 1 108 108 PHE CA C 13 55.990 . . 1 . . . . . . . . 5557 2 489 . 1 1 108 108 PHE CB C 13 42.003 . . 1 . . . . . . . . 5557 2 490 . 1 1 108 108 PHE C C 13 171.819 . . 1 . . . . . . . . 5557 2 491 . 1 1 109 109 THR N N 15 112.926 . . 1 . . . . . . . . 5557 2 492 . 1 1 109 109 THR H H 1 9.493 . . 1 . . . . . . . . 5557 2 493 . 1 1 109 109 THR CA C 13 57.428 . . 1 . . . . . . . . 5557 2 494 . 1 1 109 109 THR CB C 13 70.718 . . 1 . . . . . . . . 5557 2 495 . 1 1 109 109 THR C C 13 170.932 . . 1 . . . . . . . . 5557 2 496 . 1 1 110 110 ALA N N 15 131.119 . . 1 . . . . . . . . 5557 2 497 . 1 1 110 110 ALA H H 1 8.486 . . 1 . . . . . . . . 5557 2 498 . 1 1 110 110 ALA CA C 13 49.515 . . 1 . . . . . . . . 5557 2 499 . 1 1 110 110 ALA CB C 13 21.362 . . 1 . . . . . . . . 5557 2 500 . 1 1 110 110 ALA C C 13 175.551 . . 1 . . . . . . . . 5557 2 501 . 1 1 111 111 GLY N N 15 109.014 . . 1 . . . . . . . . 5557 2 502 . 1 1 111 111 GLY H H 1 8.882 . . 1 . . . . . . . . 5557 2 503 . 1 1 111 111 GLY CA C 13 45.356 . . 1 . . . . . . . . 5557 2 504 . 1 1 111 111 GLY C C 13 171.399 . . 1 . . . . . . . . 5557 2 505 . 1 1 112 112 VAL N N 15 117.051 . . 1 . . . . . . . . 5557 2 506 . 1 1 112 112 VAL H H 1 9.095 . . 1 . . . . . . . . 5557 2 507 . 1 1 112 112 VAL CA C 13 59.204 . . 1 . . . . . . . . 5557 2 508 . 1 1 112 112 VAL CB C 13 34.639 . . 1 . . . . . . . . 5557 2 509 . 1 1 112 112 VAL C C 13 173.490 . . 1 . . . . . . . . 5557 2 510 . 1 1 113 113 THR N N 15 118.158 . . 1 . . . . . . . . 5557 2 511 . 1 1 113 113 THR H H 1 8.710 . . 1 . . . . . . . . 5557 2 512 . 1 1 113 113 THR CA C 13 57.726 . . 1 . . . . . . . . 5557 2 513 . 1 1 113 113 THR CB C 13 71.433 . . 1 . . . . . . . . 5557 2 514 . 1 1 113 113 THR C C 13 170.801 . . 1 . . . . . . . . 5557 2 515 . 1 1 114 114 ALA N N 15 125.447 . . 1 . . . . . . . . 5557 2 516 . 1 1 114 114 ALA H H 1 7.647 . . 1 . . . . . . . . 5557 2 517 . 1 1 114 114 ALA CA C 13 51.317 . . 1 . . . . . . . . 5557 2 518 . 1 1 114 114 ALA CB C 13 21.773 . . 1 . . . . . . . . 5557 2 519 . 1 1 114 114 ALA C C 13 175.006 . . 1 . . . . . . . . 5557 2 520 . 1 1 115 115 ARG N N 15 118.562 . . 1 . . . . . . . . 5557 2 521 . 1 1 115 115 ARG H H 1 8.028 . . 1 . . . . . . . . 5557 2 522 . 1 1 115 115 ARG CA C 13 53.927 . . 1 . . . . . . . . 5557 2 523 . 1 1 115 115 ARG CB C 13 33.011 . . 1 . . . . . . . . 5557 2 524 . 1 1 115 115 ARG C C 13 177.194 . . 1 . . . . . . . . 5557 2 525 . 1 1 116 116 ASP CA C 13 56.190 . . 1 . . . . . . . . 5557 2 526 . 1 1 116 116 ASP CB C 13 40.869 . . 1 . . . . . . . . 5557 2 527 . 1 1 116 116 ASP C C 13 177.592 . . 1 . . . . . . . . 5557 2 528 . 1 1 117 117 ASN N N 15 116.135 . . 1 . . . . . . . . 5557 2 529 . 1 1 117 117 ASN H H 1 8.064 . . 1 . . . . . . . . 5557 2 530 . 1 1 117 117 ASN CA C 13 54.418 . . 1 . . . . . . . . 5557 2 531 . 1 1 117 117 ASN CB C 13 36.556 . . 1 . . . . . . . . 5557 2 532 . 1 1 117 117 ASN C C 13 174.736 . . 1 . . . . . . . . 5557 2 533 . 1 1 118 118 TRP N N 15 119.510 . . 1 . . . . . . . . 5557 2 534 . 1 1 118 118 TRP H H 1 7.252 . . 1 . . . . . . . . 5557 2 535 . 1 1 118 118 TRP CA C 13 55.834 . . 1 . . . . . . . . 5557 2 536 . 1 1 118 118 TRP CB C 13 28.055 . . 1 . . . . . . . . 5557 2 537 . 1 1 118 118 TRP C C 13 175.840 . . 1 . . . . . . . . 5557 2 538 . 1 1 119 119 ASN N N 15 117.450 . . 1 . . . . . . . . 5557 2 539 . 1 1 119 119 ASN H H 1 7.988 . . 1 . . . . . . . . 5557 2 540 . 1 1 119 119 ASN CA C 13 54.167 . . 1 . . . . . . . . 5557 2 541 . 1 1 119 119 ASN CB C 13 37.259 . . 1 . . . . . . . . 5557 2 542 . 1 1 119 119 ASN C C 13 173.745 . . 1 . . . . . . . . 5557 2 543 . 1 1 120 120 TYR CA C 13 60.317 . . 1 . . . . . . . . 5557 2 544 . 1 1 120 120 TYR CB C 13 35.063 . . 1 . . . . . . . . 5557 2 545 . 1 1 120 120 TYR C C 13 173.629 . . 1 . . . . . . . . 5557 2 546 . 1 1 121 121 ILE N N 15 119.310 . . 1 . . . . . . . . 5557 2 547 . 1 1 121 121 ILE H H 1 7.229 . . 1 . . . . . . . . 5557 2 548 . 1 1 121 121 ILE CA C 13 58.850 . . 1 . . . . . . . . 5557 2 549 . 1 1 121 121 ILE CB C 13 37.713 . . 1 . . . . . . . . 5557 2 550 . 1 1 121 121 ILE C C 13 174.759 . . 1 . . . . . . . . 5557 2 551 . 1 1 122 122 PRO CA C 13 62.375 . . 1 . . . . . . . . 5557 2 552 . 1 1 122 122 PRO CB C 13 31.295 . . 1 . . . . . . . . 5557 2 553 . 1 1 122 122 PRO C C 13 175.129 . . 1 . . . . . . . . 5557 2 554 . 1 1 123 123 LEU N N 15 123.467 . . 1 . . . . . . . . 5557 2 555 . 1 1 123 123 LEU H H 1 8.778 . . 1 . . . . . . . . 5557 2 556 . 1 1 123 123 LEU CA C 13 51.232 . . 1 . . . . . . . . 5557 2 557 . 1 1 123 123 LEU CB C 13 43.428 . . 1 . . . . . . . . 5557 2 558 . 1 1 123 123 LEU C C 13 174.460 . . 1 . . . . . . . . 5557 2 559 . 1 1 125 125 VAL N N 15 116.848 . . 1 . . . . . . . . 5557 2 560 . 1 1 125 125 VAL H H 1 8.652 . . 1 . . . . . . . . 5557 2 561 . 1 1 125 125 VAL CA C 13 60.141 . . 1 . . . . . . . . 5557 2 562 . 1 1 125 125 VAL CB C 13 34.496 . . 1 . . . . . . . . 5557 2 563 . 1 1 125 125 VAL C C 13 173.337 . . 1 . . . . . . . . 5557 2 564 . 1 1 126 126 LEU N N 15 125.859 . . 1 . . . . . . . . 5557 2 565 . 1 1 126 126 LEU H H 1 7.292 . . 1 . . . . . . . . 5557 2 566 . 1 1 126 126 LEU CA C 13 54.163 . . 1 . . . . . . . . 5557 2 567 . 1 1 126 126 LEU CB C 13 43.871 . . 1 . . . . . . . . 5557 2 568 . 1 1 126 126 LEU C C 13 174.961 . . 1 . . . . . . . . 5557 2 569 . 1 1 127 127 LEU N N 15 124.314 . . 1 . . . . . . . . 5557 2 570 . 1 1 127 127 LEU H H 1 8.865 . . 1 . . . . . . . . 5557 2 571 . 1 1 127 127 LEU CA C 13 51.421 . . 1 . . . . . . . . 5557 2 572 . 1 1 127 127 LEU CB C 13 44.110 . . 1 . . . . . . . . 5557 2 573 . 1 1 127 127 LEU C C 13 174.372 . . 1 . . . . . . . . 5557 2 574 . 1 1 128 128 PRO CA C 13 61.817 . . 1 . . . . . . . . 5557 2 575 . 1 1 128 128 PRO CB C 13 32.305 . . 1 . . . . . . . . 5557 2 576 . 1 1 128 128 PRO C C 13 174.135 . . 1 . . . . . . . . 5557 2 577 . 1 1 129 129 LEU N N 15 121.769 . . 1 . . . . . . . . 5557 2 578 . 1 1 129 129 LEU H H 1 8.017 . . 1 . . . . . . . . 5557 2 579 . 1 1 129 129 LEU CA C 13 53.382 . . 1 . . . . . . . . 5557 2 580 . 1 1 129 129 LEU CB C 13 46.870 . . 1 . . . . . . . . 5557 2 581 . 1 1 129 129 LEU C C 13 175.204 . . 1 . . . . . . . . 5557 2 582 . 1 1 130 130 ALA N N 15 121.758 . . 1 . . . . . . . . 5557 2 583 . 1 1 130 130 ALA H H 1 8.178 . . 1 . . . . . . . . 5557 2 584 . 1 1 130 130 ALA CA C 13 50.760 . . 1 . . . . . . . . 5557 2 585 . 1 1 130 130 ALA CB C 13 22.410 . . 1 . . . . . . . . 5557 2 586 . 1 1 130 130 ALA C C 13 175.936 . . 1 . . . . . . . . 5557 2 587 . 1 1 131 131 SER N N 15 113.722 . . 1 . . . . . . . . 5557 2 588 . 1 1 131 131 SER H H 1 8.796 . . 1 . . . . . . . . 5557 2 589 . 1 1 131 131 SER CA C 13 57.444 . . 1 . . . . . . . . 5557 2 590 . 1 1 131 131 SER CB C 13 65.208 . . 1 . . . . . . . . 5557 2 591 . 1 1 131 131 SER C C 13 172.412 . . 1 . . . . . . . . 5557 2 592 . 1 1 132 132 VAL N N 15 115.689 . . 1 . . . . . . . . 5557 2 593 . 1 1 132 132 VAL H H 1 8.668 . . 1 . . . . . . . . 5557 2 594 . 1 1 132 132 VAL CA C 13 59.398 . . 1 . . . . . . . . 5557 2 595 . 1 1 132 132 VAL CB C 13 33.773 . . 1 . . . . . . . . 5557 2 596 . 1 1 132 132 VAL C C 13 173.615 . . 1 . . . . . . . . 5557 2 597 . 1 1 133 133 GLY N N 15 111.921 . . 1 . . . . . . . . 5557 2 598 . 1 1 133 133 GLY H H 1 8.696 . . 1 . . . . . . . . 5557 2 599 . 1 1 133 133 GLY CA C 13 45.330 . . 1 . . . . . . . . 5557 2 600 . 1 1 133 133 GLY C C 13 169.445 . . 1 . . . . . . . . 5557 2 601 . 1 1 134 134 TYR N N 15 119.536 . . 1 . . . . . . . . 5557 2 602 . 1 1 134 134 TYR H H 1 8.359 . . 1 . . . . . . . . 5557 2 603 . 1 1 134 134 TYR CA C 13 56.548 . . 1 . . . . . . . . 5557 2 604 . 1 1 134 134 TYR CB C 13 40.829 . . 1 . . . . . . . . 5557 2 605 . 1 1 134 134 TYR C C 13 175.520 . . 1 . . . . . . . . 5557 2 606 . 1 1 135 135 GLY N N 15 116.246 . . 1 . . . . . . . . 5557 2 607 . 1 1 135 135 GLY H H 1 8.883 . . 1 . . . . . . . . 5557 2 608 . 1 1 135 135 GLY CA C 13 44.060 . . 1 . . . . . . . . 5557 2 609 . 1 1 135 135 GLY C C 13 174.803 . . 1 . . . . . . . . 5557 2 610 . 1 1 136 136 PRO CA C 13 63.589 . . 1 . . . . . . . . 5557 2 611 . 1 1 136 136 PRO CB C 13 32.591 . . 1 . . . . . . . . 5557 2 612 . 1 1 136 136 PRO C C 13 174.512 . . 1 . . . . . . . . 5557 2 613 . 1 1 137 137 VAL N N 15 124.061 . . 1 . . . . . . . . 5557 2 614 . 1 1 137 137 VAL H H 1 7.626 . . 1 . . . . . . . . 5557 2 615 . 1 1 137 137 VAL CA C 13 61.702 . . 1 . . . . . . . . 5557 2 616 . 1 1 137 137 VAL CB C 13 32.433 . . 1 . . . . . . . . 5557 2 617 . 1 1 137 137 VAL C C 13 173.114 . . 1 . . . . . . . . 5557 2 618 . 1 1 138 138 THR N N 15 122.870 . . 1 . . . . . . . . 5557 2 619 . 1 1 138 138 THR H H 1 8.085 . . 1 . . . . . . . . 5557 2 620 . 1 1 138 138 THR CA C 13 61.775 . . 1 . . . . . . . . 5557 2 621 . 1 1 138 138 THR CB C 13 70.623 . . 1 . . . . . . . . 5557 2 622 . 1 1 138 138 THR C C 13 171.531 . . 1 . . . . . . . . 5557 2 623 . 1 1 139 139 PHE N N 15 130.182 . . 1 . . . . . . . . 5557 2 624 . 1 1 139 139 PHE H H 1 9.104 . . 1 . . . . . . . . 5557 2 625 . 1 1 139 139 PHE CA C 13 56.505 . . 1 . . . . . . . . 5557 2 626 . 1 1 139 139 PHE CB C 13 39.185 . . 1 . . . . . . . . 5557 2 627 . 1 1 139 139 PHE C C 13 171.759 . . 1 . . . . . . . . 5557 2 628 . 1 1 140 140 GLN N N 15 130.671 . . 1 . . . . . . . . 5557 2 629 . 1 1 140 140 GLN H H 1 8.148 . . 1 . . . . . . . . 5557 2 630 . 1 1 140 140 GLN CA C 13 52.865 . . 1 . . . . . . . . 5557 2 631 . 1 1 140 140 GLN CB C 13 32.847 . . 1 . . . . . . . . 5557 2 632 . 1 1 140 140 GLN C C 13 180.529 . . 1 . . . . . . . . 5557 2 633 . 1 1 141 141 MET N N 15 119.466 . . 1 . . . . . . . . 5557 2 634 . 1 1 141 141 MET H H 1 8.514 . . 1 . . . . . . . . 5557 2 635 . 1 1 141 141 MET CA C 13 53.591 . . 1 . . . . . . . . 5557 2 636 . 1 1 141 141 MET CB C 13 38.485 . . 1 . . . . . . . . 5557 2 637 . 1 1 142 142 THR N N 15 112.347 . . 1 . . . . . . . . 5557 2 638 . 1 1 142 142 THR H H 1 8.469 . . 1 . . . . . . . . 5557 2 639 . 1 1 142 142 THR CA C 13 59.183 . . 1 . . . . . . . . 5557 2 640 . 1 1 142 142 THR CB C 13 70.416 . . 1 . . . . . . . . 5557 2 641 . 1 1 142 142 THR C C 13 172.138 . . 1 . . . . . . . . 5557 2 642 . 1 1 143 143 TYR N N 15 124.291 . . 1 . . . . . . . . 5557 2 643 . 1 1 143 143 TYR H H 1 7.688 . . 1 . . . . . . . . 5557 2 644 . 1 1 143 143 TYR CA C 13 55.530 . . 1 . . . . . . . . 5557 2 645 . 1 1 143 143 TYR CB C 13 42.199 . . 1 . . . . . . . . 5557 2 646 . 1 1 143 143 TYR C C 13 172.353 . . 1 . . . . . . . . 5557 2 647 . 1 1 144 144 ILE N N 15 125.911 . . 1 . . . . . . . . 5557 2 648 . 1 1 144 144 ILE H H 1 8.194 . . 1 . . . . . . . . 5557 2 649 . 1 1 144 144 ILE CA C 13 57.034 . . 1 . . . . . . . . 5557 2 650 . 1 1 144 144 ILE CB C 13 37.328 . . 1 . . . . . . . . 5557 2 651 . 1 1 144 144 ILE C C 13 174.360 . . 1 . . . . . . . . 5557 2 652 . 1 1 145 145 PRO CA C 13 62.021 . . 1 . . . . . . . . 5557 2 653 . 1 1 145 145 PRO CB C 13 32.348 . . 1 . . . . . . . . 5557 2 654 . 1 1 145 145 PRO C C 13 177.138 . . 1 . . . . . . . . 5557 2 655 . 1 1 146 146 GLY N N 15 107.482 . . 1 . . . . . . . . 5557 2 656 . 1 1 146 146 GLY H H 1 8.439 . . 1 . . . . . . . . 5557 2 657 . 1 1 146 146 GLY CA C 13 46.311 . . 1 . . . . . . . . 5557 2 658 . 1 1 146 146 GLY C C 13 173.909 . . 1 . . . . . . . . 5557 2 659 . 1 1 147 147 THR N N 15 110.735 . . 1 . . . . . . . . 5557 2 660 . 1 1 147 147 THR H H 1 7.213 . . 1 . . . . . . . . 5557 2 661 . 1 1 147 147 THR CA C 13 61.952 . . 1 . . . . . . . . 5557 2 662 . 1 1 147 147 THR CB C 13 68.659 . . 1 . . . . . . . . 5557 2 663 . 1 1 147 147 THR C C 13 175.211 . . 1 . . . . . . . . 5557 2 664 . 1 1 148 148 TYR N N 15 121.773 . . 1 . . . . . . . . 5557 2 665 . 1 1 148 148 TYR H H 1 7.667 . . 1 . . . . . . . . 5557 2 666 . 1 1 148 148 TYR CA C 13 57.808 . . 1 . . . . . . . . 5557 2 667 . 1 1 148 148 TYR CB C 13 37.221 . . 1 . . . . . . . . 5557 2 668 . 1 1 148 148 TYR C C 13 176.076 . . 1 . . . . . . . . 5557 2 669 . 1 1 149 149 ASN N N 15 119.972 . . 1 . . . . . . . . 5557 2 670 . 1 1 149 149 ASN H H 1 8.460 . . 1 . . . . . . . . 5557 2 671 . 1 1 149 149 ASN CA C 13 55.248 . . 1 . . . . . . . . 5557 2 672 . 1 1 149 149 ASN CB C 13 38.318 . . 1 . . . . . . . . 5557 2 673 . 1 1 149 149 ASN C C 13 175.739 . . 1 . . . . . . . . 5557 2 674 . 1 1 150 150 ASN N N 15 118.453 . . 1 . . . . . . . . 5557 2 675 . 1 1 150 150 ASN H H 1 8.144 . . 1 . . . . . . . . 5557 2 676 . 1 1 150 150 ASN CA C 13 52.537 . . 1 . . . . . . . . 5557 2 677 . 1 1 150 150 ASN CB C 13 38.061 . . 1 . . . . . . . . 5557 2 678 . 1 1 150 150 ASN C C 13 173.866 . . 1 . . . . . . . . 5557 2 679 . 1 1 151 151 GLY N N 15 104.721 . . 1 . . . . . . . . 5557 2 680 . 1 1 151 151 GLY H H 1 7.330 . . 1 . . . . . . . . 5557 2 681 . 1 1 151 151 GLY CA C 13 44.781 . . 1 . . . . . . . . 5557 2 682 . 1 1 151 151 GLY C C 13 174.043 . . 1 . . . . . . . . 5557 2 683 . 1 1 152 152 ASN N N 15 116.670 . . 1 . . . . . . . . 5557 2 684 . 1 1 152 152 ASN H H 1 8.206 . . 1 . . . . . . . . 5557 2 685 . 1 1 152 152 ASN CA C 13 54.020 . . 1 . . . . . . . . 5557 2 686 . 1 1 152 152 ASN CB C 13 37.467 . . 1 . . . . . . . . 5557 2 687 . 1 1 152 152 ASN C C 13 174.052 . . 1 . . . . . . . . 5557 2 688 . 1 1 153 153 VAL N N 15 116.478 . . 1 . . . . . . . . 5557 2 689 . 1 1 153 153 VAL H H 1 7.039 . . 1 . . . . . . . . 5557 2 690 . 1 1 153 153 VAL CA C 13 59.628 . . 1 . . . . . . . . 5557 2 691 . 1 1 153 153 VAL CB C 13 34.893 . . 1 . . . . . . . . 5557 2 692 . 1 1 153 153 VAL C C 13 173.113 . . 1 . . . . . . . . 5557 2 693 . 1 1 154 154 TYR N N 15 123.361 . . 1 . . . . . . . . 5557 2 694 . 1 1 154 154 TYR H H 1 8.406 . . 1 . . . . . . . . 5557 2 695 . 1 1 154 154 TYR CA C 13 56.510 . . 1 . . . . . . . . 5557 2 696 . 1 1 154 154 TYR CB C 13 38.550 . . 1 . . . . . . . . 5557 2 697 . 1 1 154 154 TYR C C 13 174.985 . . 1 . . . . . . . . 5557 2 698 . 1 1 155 155 PHE N N 15 124.817 . . 1 . . . . . . . . 5557 2 699 . 1 1 155 155 PHE H H 1 8.035 . . 1 . . . . . . . . 5557 2 700 . 1 1 155 155 PHE CA C 13 55.201 . . 1 . . . . . . . . 5557 2 701 . 1 1 155 155 PHE CB C 13 42.193 . . 1 . . . . . . . . 5557 2 702 . 1 1 155 155 PHE C C 13 172.013 . . 1 . . . . . . . . 5557 2 703 . 1 1 156 156 ALA N N 15 127.786 . . 1 . . . . . . . . 5557 2 704 . 1 1 156 156 ALA H H 1 8.748 . . 1 . . . . . . . . 5557 2 705 . 1 1 156 156 ALA CA C 13 49.736 . . 1 . . . . . . . . 5557 2 706 . 1 1 156 156 ALA CB C 13 23.893 . . 1 . . . . . . . . 5557 2 707 . 1 1 156 156 ALA C C 13 175.730 . . 1 . . . . . . . . 5557 2 708 . 1 1 157 157 TRP N N 15 120.743 . . 1 . . . . . . . . 5557 2 709 . 1 1 157 157 TRP H H 1 8.590 . . 1 . . . . . . . . 5557 2 710 . 1 1 157 157 TRP CA C 13 55.387 . . 1 . . . . . . . . 5557 2 711 . 1 1 157 157 TRP CB C 13 31.423 . . 1 . . . . . . . . 5557 2 712 . 1 1 158 158 MET N N 15 116.314 . . 1 . . . . . . . . 5557 2 713 . 1 1 158 158 MET H H 1 8.635 . . 1 . . . . . . . . 5557 2 714 . 1 1 158 158 MET CA C 13 52.484 . . 1 . . . . . . . . 5557 2 715 . 1 1 158 158 MET CB C 13 33.719 . . 1 . . . . . . . . 5557 2 716 . 1 1 158 158 MET C C 13 174.679 . . 1 . . . . . . . . 5557 2 717 . 1 1 159 159 ARG N N 15 126.210 . . 1 . . . . . . . . 5557 2 718 . 1 1 159 159 ARG H H 1 9.249 . . 1 . . . . . . . . 5557 2 719 . 1 1 159 159 ARG CA C 13 53.528 . . 1 . . . . . . . . 5557 2 720 . 1 1 159 159 ARG CB C 13 32.829 . . 1 . . . . . . . . 5557 2 721 . 1 1 159 159 ARG C C 13 174.915 . . 1 . . . . . . . . 5557 2 722 . 1 1 160 160 PHE N N 15 128.239 . . 1 . . . . . . . . 5557 2 723 . 1 1 160 160 PHE H H 1 9.273 . . 1 . . . . . . . . 5557 2 724 . 1 1 160 160 PHE CA C 13 55.554 . . 1 . . . . . . . . 5557 2 725 . 1 1 160 160 PHE CB C 13 40.818 . . 1 . . . . . . . . 5557 2 726 . 1 1 160 160 PHE C C 13 173.423 . . 1 . . . . . . . . 5557 2 727 . 1 1 161 161 GLN N N 15 126.660 . . 1 . . . . . . . . 5557 2 728 . 1 1 161 161 GLN H H 1 8.505 . . 1 . . . . . . . . 5557 2 729 . 1 1 161 161 GLN CA C 13 55.279 . . 1 . . . . . . . . 5557 2 730 . 1 1 161 161 GLN CB C 13 32.098 . . 1 . . . . . . . . 5557 2 731 . 1 1 161 161 GLN C C 13 174.599 . . 1 . . . . . . . . 5557 2 732 . 1 1 162 162 PHE N N 15 125.197 . . 1 . . . . . . . . 5557 2 733 . 1 1 162 162 PHE H H 1 9.121 . . 1 . . . . . . . . 5557 2 734 . 1 1 162 162 PHE CA C 13 56.823 . . 1 . . . . . . . . 5557 2 735 . 1 1 162 162 PHE CB C 13 40.880 . . 1 . . . . . . . . 5557 2 736 . 1 1 162 162 PHE C C 13 175.481 . . 1 . . . . . . . . 5557 2 737 . 1 1 163 163 LEU N N 15 120.732 . . 1 . . . . . . . . 5557 2 738 . 1 1 163 163 LEU H H 1 8.191 . . 1 . . . . . . . . 5557 2 739 . 1 1 163 163 LEU CA C 13 55.546 . . 1 . . . . . . . . 5557 2 740 . 1 1 163 163 LEU CB C 13 42.214 . . 1 . . . . . . . . 5557 2 741 . 1 1 163 163 LEU C C 13 176.312 . . 1 . . . . . . . . 5557 2 742 . 1 1 164 164 GLU N N 15 122.714 . . 1 . . . . . . . . 5557 2 743 . 1 1 164 164 GLU H H 1 8.000 . . 1 . . . . . . . . 5557 2 744 . 1 1 164 164 GLU CA C 13 55.641 . . 1 . . . . . . . . 5557 2 745 . 1 1 164 164 GLU CB C 13 29.274 . . 1 . . . . . . . . 5557 2 stop_ save_