data_18147 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18147 _Entry.Title ; Assigned NMR chemical shift of Escherichia coli Ribosome binding factor A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-12-16 _Entry.Accession_date 2011-12-16 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Hiroshi Kobayashi . . . 18147 2 G.V.T Swapna . . . 18147 3 Kuen-Phon Wu . . . 18147 4 Afinogenova Yuliya . . . 18147 5 Kenith Conover . . . 18147 6 Binchen Mao . . . 18147 7 Gaetano Montelione . T. . 18147 8 Masayori Inouye . . . 18147 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18147 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 393 18147 '15N chemical shifts' 136 18147 '1H chemical shifts' 136 18147 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 2 . . 2012-05-10 2011-12-16 update BMRB 'update entry citation' 18147 1 . . 2012-03-07 2011-12-16 original author 'original release' 18147 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 18147 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22389115 _Citation.Full_citation . _Citation.Title 'Segmental isotope labeling of proteins for NMR structural study using a protein S tag for higher expression and solubility.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 52 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 303 _Citation.Page_last 313 _Citation.Year 2012 _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 Hiroshi Kobayashi . . . 18147 1 2 G. Swapna . V.T. . 18147 1 3 Kuen-Phon Wu . . . 18147 1 4 Yuliya Afinogenova . . . 18147 1 5 Kenith Conover . . . 18147 1 6 Binchen Mao . . . 18147 1 7 Gaetano Montelione . T. . 18147 1 8 Masayori Inouye . . . 18147 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18147 _Assembly.ID 1 _Assembly.Name RbfA _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 RbfA 1 $RbfA A . yes native no no . . . 18147 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RbfA _Entity.Sf_category entity _Entity.Sf_framecode RbfA _Entity.Entry_ID 18147 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RbfA _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 ; SGVHMAKEFGRPQRVAQEMQ KEIALILQREIKDPRLGMMT TVSGVEMSRDLAYAKVYVTF LNDKDEDAVKAGIKALQEAS GFIRSLLGKAMRLRIVPELT FFYDNSLVEGMRMSNLVTSV VKHDEERRVNPDDSKEDGSW SHPQFEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'First 4 residue (SGVH) and last 10 residue (GSWSHPQFEK) come from cloning site or purification tag.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 147 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1KKG . "Nmr Structure Of Ribosome-Binding Factor A (Rbfa)" . . . . . 72.79 108 100.00 100.00 9.85e-70 . . . . 18147 1 2 no DBJ BAB37471 . "ribosome-binding factor A [Escherichia coli O157:H7 str. Sakai]" . . . . . 90.48 133 100.00 100.00 3.44e-90 . . . . 18147 1 3 no DBJ BAE77213 . "30s ribosome binding factor [Escherichia coli str. K12 substr. W3110]" . . . . . 90.48 133 100.00 100.00 3.44e-90 . . . . 18147 1 4 no DBJ BAG78977 . "ribosome-binding factor A [Escherichia coli SE11]" . . . . . 90.48 133 100.00 100.00 3.44e-90 . . . . 18147 1 5 no DBJ BAH65352 . "ribosome-binding factor A [Klebsiella pneumoniae subsp. pneumoniae NTUH-K2044]" . . . . . 90.48 133 97.74 99.25 3.27e-88 . . . . 18147 1 6 no DBJ BAI27447 . "30S ribosome binding factor RbfA [Escherichia coli O26:H11 str. 11368]" . . . . . 90.48 133 100.00 100.00 3.44e-90 . . . . 18147 1 7 no EMBL CAA31634 . "unnamed protein product [Escherichia coli]" . . . . . 90.48 133 100.00 100.00 3.44e-90 . . . . 18147 1 8 no EMBL CAA32020 . "P15B gene product (AA 1 - 133) [Escherichia coli]" . . . . . 90.48 133 100.00 100.00 3.44e-90 . . . . 18147 1 9 no EMBL CAP77629 . "ribosome-binding factor A [Escherichia coli LF82]" . . . . . 90.48 133 100.00 100.00 3.44e-90 . . . . 18147 1 10 no EMBL CAQ33502 . "30S ribosome binding factor [Escherichia coli BL21(DE3)]" . . . . . 90.48 133 100.00 100.00 3.44e-90 . . . . 18147 1 11 no EMBL CAQ90639 . "30s ribosome binding factor [Escherichia fergusonii ATCC 35469]" . . . . . 90.48 133 100.00 100.00 3.44e-90 . . . . 18147 1 12 no GB AAA57970 . "P15B [Escherichia coli str. K-12 substr. MG1655]" . . . . . 90.48 133 100.00 100.00 3.44e-90 . . . . 18147 1 13 no GB AAC76201 . "30s ribosome binding factor [Escherichia coli str. K-12 substr. MG1655]" . . . . . 90.48 133 100.00 100.00 3.44e-90 . . . . 18147 1 14 no GB AAG58303 . "ribosome-binding factor A [Escherichia coli O157:H7 str. EDL933]" . . . . . 90.48 133 100.00 100.00 3.44e-90 . . . . 18147 1 15 no GB AAL22157 . "ribosome-binding factor [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 90.48 133 97.74 100.00 1.07e-88 . . . . 18147 1 16 no GB AAN44675 . "ribosome-binding factor A [Shigella flexneri 2a str. 301]" . . . . . 90.48 133 100.00 100.00 3.44e-90 . . . . 18147 1 17 no REF NP_312075 . "ribosome-binding factor A [Escherichia coli O157:H7 str. Sakai]" . . . . . 90.48 133 100.00 100.00 3.44e-90 . . . . 18147 1 18 no REF NP_417636 . "30s ribosome binding factor [Escherichia coli str. K-12 substr. MG1655]" . . . . . 90.48 133 100.00 100.00 3.44e-90 . . . . 18147 1 19 no REF NP_462198 . "ribosome-binding factor A [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 90.48 133 97.74 100.00 1.07e-88 . . . . 18147 1 20 no REF NP_708968 . "ribosome-binding factor A [Shigella flexneri 2a str. 301]" . . . . . 90.48 133 100.00 100.00 3.44e-90 . . . . 18147 1 21 no REF WP_001040197 . "ribosome-binding factor A [Escherichia coli]" . . . . . 90.48 133 99.25 99.25 3.56e-89 . . . . 18147 1 22 no SP A1AG72 . "RecName: Full=Ribosome-binding factor A" . . . . . 90.48 133 100.00 100.00 3.44e-90 . . . . 18147 1 23 no SP A6TEI6 . "RecName: Full=Ribosome-binding factor A" . . . . . 90.48 133 97.74 99.25 3.27e-88 . . . . 18147 1 24 no SP A7ZS64 . "RecName: Full=Ribosome-binding factor A" . . . . . 90.48 133 100.00 100.00 3.44e-90 . . . . 18147 1 25 no SP A8A4Y3 . "RecName: Full=Ribosome-binding factor A" . . . . . 90.48 133 100.00 100.00 3.44e-90 . . . . 18147 1 26 no SP A8AQ56 . "RecName: Full=Ribosome-binding factor A" . . . . . 90.48 133 97.74 100.00 5.76e-89 . . . . 18147 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 . SER . 18147 1 2 . GLY . 18147 1 3 . VAL . 18147 1 4 . HIS . 18147 1 5 . MET . 18147 1 6 . ALA . 18147 1 7 . LYS . 18147 1 8 . GLU . 18147 1 9 . PHE . 18147 1 10 . GLY . 18147 1 11 . ARG . 18147 1 12 . PRO . 18147 1 13 . GLN . 18147 1 14 . ARG . 18147 1 15 . VAL . 18147 1 16 . ALA . 18147 1 17 . GLN . 18147 1 18 . GLU . 18147 1 19 . MET . 18147 1 20 . GLN . 18147 1 21 . LYS . 18147 1 22 . GLU . 18147 1 23 . ILE . 18147 1 24 . ALA . 18147 1 25 . LEU . 18147 1 26 . ILE . 18147 1 27 . LEU . 18147 1 28 . GLN . 18147 1 29 . ARG . 18147 1 30 . GLU . 18147 1 31 . ILE . 18147 1 32 . LYS . 18147 1 33 . ASP . 18147 1 34 . PRO . 18147 1 35 . ARG . 18147 1 36 . LEU . 18147 1 37 . GLY . 18147 1 38 . MET . 18147 1 39 . MET . 18147 1 40 . THR . 18147 1 41 . THR . 18147 1 42 . VAL . 18147 1 43 . SER . 18147 1 44 . GLY . 18147 1 45 . VAL . 18147 1 46 . GLU . 18147 1 47 . MET . 18147 1 48 . SER . 18147 1 49 . ARG . 18147 1 50 . ASP . 18147 1 51 . LEU . 18147 1 52 . ALA . 18147 1 53 . TYR . 18147 1 54 . ALA . 18147 1 55 . LYS . 18147 1 56 . VAL . 18147 1 57 . TYR . 18147 1 58 . VAL . 18147 1 59 . THR . 18147 1 60 . PHE . 18147 1 61 . LEU . 18147 1 62 . ASN . 18147 1 63 . ASP . 18147 1 64 . LYS . 18147 1 65 . ASP . 18147 1 66 . GLU . 18147 1 67 . ASP . 18147 1 68 . ALA . 18147 1 69 . VAL . 18147 1 70 . LYS . 18147 1 71 . ALA . 18147 1 72 . GLY . 18147 1 73 . ILE . 18147 1 74 . LYS . 18147 1 75 . ALA . 18147 1 76 . LEU . 18147 1 77 . GLN . 18147 1 78 . GLU . 18147 1 79 . ALA . 18147 1 80 . SER . 18147 1 81 . GLY . 18147 1 82 . PHE . 18147 1 83 . ILE . 18147 1 84 . ARG . 18147 1 85 . SER . 18147 1 86 . LEU . 18147 1 87 . LEU . 18147 1 88 . GLY . 18147 1 89 . LYS . 18147 1 90 . ALA . 18147 1 91 . MET . 18147 1 92 . ARG . 18147 1 93 . LEU . 18147 1 94 . ARG . 18147 1 95 . ILE . 18147 1 96 . VAL . 18147 1 97 . PRO . 18147 1 98 . GLU . 18147 1 99 . LEU . 18147 1 100 . THR . 18147 1 101 . PHE . 18147 1 102 . PHE . 18147 1 103 . TYR . 18147 1 104 . ASP . 18147 1 105 . ASN . 18147 1 106 . SER . 18147 1 107 . LEU . 18147 1 108 . VAL . 18147 1 109 . GLU . 18147 1 110 . GLY . 18147 1 111 . MET . 18147 1 112 . ARG . 18147 1 113 . MET . 18147 1 114 . SER . 18147 1 115 . ASN . 18147 1 116 . LEU . 18147 1 117 . VAL . 18147 1 118 . THR . 18147 1 119 . SER . 18147 1 120 . VAL . 18147 1 121 . VAL . 18147 1 122 . LYS . 18147 1 123 . HIS . 18147 1 124 . ASP . 18147 1 125 . GLU . 18147 1 126 . GLU . 18147 1 127 . ARG . 18147 1 128 . ARG . 18147 1 129 . VAL . 18147 1 130 . ASN . 18147 1 131 . PRO . 18147 1 132 . ASP . 18147 1 133 . ASP . 18147 1 134 . SER . 18147 1 135 . LYS . 18147 1 136 . GLU . 18147 1 137 . ASP . 18147 1 138 . GLY . 18147 1 139 . SER . 18147 1 140 . TRP . 18147 1 141 . SER . 18147 1 142 . HIS . 18147 1 143 . PRO . 18147 1 144 . GLN . 18147 1 145 . PHE . 18147 1 146 . GLU . 18147 1 147 . LYS . 18147 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 . SER 1 1 18147 1 . GLY 2 2 18147 1 . VAL 3 3 18147 1 . HIS 4 4 18147 1 . MET 5 5 18147 1 . ALA 6 6 18147 1 . LYS 7 7 18147 1 . GLU 8 8 18147 1 . PHE 9 9 18147 1 . GLY 10 10 18147 1 . ARG 11 11 18147 1 . PRO 12 12 18147 1 . GLN 13 13 18147 1 . ARG 14 14 18147 1 . VAL 15 15 18147 1 . ALA 16 16 18147 1 . GLN 17 17 18147 1 . GLU 18 18 18147 1 . MET 19 19 18147 1 . GLN 20 20 18147 1 . LYS 21 21 18147 1 . GLU 22 22 18147 1 . ILE 23 23 18147 1 . ALA 24 24 18147 1 . LEU 25 25 18147 1 . ILE 26 26 18147 1 . LEU 27 27 18147 1 . GLN 28 28 18147 1 . ARG 29 29 18147 1 . GLU 30 30 18147 1 . ILE 31 31 18147 1 . LYS 32 32 18147 1 . ASP 33 33 18147 1 . PRO 34 34 18147 1 . ARG 35 35 18147 1 . LEU 36 36 18147 1 . GLY 37 37 18147 1 . MET 38 38 18147 1 . MET 39 39 18147 1 . THR 40 40 18147 1 . THR 41 41 18147 1 . VAL 42 42 18147 1 . SER 43 43 18147 1 . GLY 44 44 18147 1 . VAL 45 45 18147 1 . GLU 46 46 18147 1 . MET 47 47 18147 1 . SER 48 48 18147 1 . ARG 49 49 18147 1 . ASP 50 50 18147 1 . LEU 51 51 18147 1 . ALA 52 52 18147 1 . TYR 53 53 18147 1 . ALA 54 54 18147 1 . LYS 55 55 18147 1 . VAL 56 56 18147 1 . TYR 57 57 18147 1 . VAL 58 58 18147 1 . THR 59 59 18147 1 . PHE 60 60 18147 1 . LEU 61 61 18147 1 . ASN 62 62 18147 1 . ASP 63 63 18147 1 . LYS 64 64 18147 1 . ASP 65 65 18147 1 . GLU 66 66 18147 1 . ASP 67 67 18147 1 . ALA 68 68 18147 1 . VAL 69 69 18147 1 . LYS 70 70 18147 1 . ALA 71 71 18147 1 . GLY 72 72 18147 1 . ILE 73 73 18147 1 . LYS 74 74 18147 1 . ALA 75 75 18147 1 . LEU 76 76 18147 1 . GLN 77 77 18147 1 . GLU 78 78 18147 1 . ALA 79 79 18147 1 . SER 80 80 18147 1 . GLY 81 81 18147 1 . PHE 82 82 18147 1 . ILE 83 83 18147 1 . ARG 84 84 18147 1 . SER 85 85 18147 1 . LEU 86 86 18147 1 . LEU 87 87 18147 1 . GLY 88 88 18147 1 . LYS 89 89 18147 1 . ALA 90 90 18147 1 . MET 91 91 18147 1 . ARG 92 92 18147 1 . LEU 93 93 18147 1 . ARG 94 94 18147 1 . ILE 95 95 18147 1 . VAL 96 96 18147 1 . PRO 97 97 18147 1 . GLU 98 98 18147 1 . LEU 99 99 18147 1 . THR 100 100 18147 1 . PHE 101 101 18147 1 . PHE 102 102 18147 1 . TYR 103 103 18147 1 . ASP 104 104 18147 1 . ASN 105 105 18147 1 . SER 106 106 18147 1 . LEU 107 107 18147 1 . VAL 108 108 18147 1 . GLU 109 109 18147 1 . GLY 110 110 18147 1 . MET 111 111 18147 1 . ARG 112 112 18147 1 . MET 113 113 18147 1 . SER 114 114 18147 1 . ASN 115 115 18147 1 . LEU 116 116 18147 1 . VAL 117 117 18147 1 . THR 118 118 18147 1 . SER 119 119 18147 1 . VAL 120 120 18147 1 . VAL 121 121 18147 1 . LYS 122 122 18147 1 . HIS 123 123 18147 1 . ASP 124 124 18147 1 . GLU 125 125 18147 1 . GLU 126 126 18147 1 . ARG 127 127 18147 1 . ARG 128 128 18147 1 . VAL 129 129 18147 1 . ASN 130 130 18147 1 . PRO 131 131 18147 1 . ASP 132 132 18147 1 . ASP 133 133 18147 1 . SER 134 134 18147 1 . LYS 135 135 18147 1 . GLU 136 136 18147 1 . ASP 137 137 18147 1 . GLY 138 138 18147 1 . SER 139 139 18147 1 . TRP 140 140 18147 1 . SER 141 141 18147 1 . HIS 142 142 18147 1 . PRO 143 143 18147 1 . GLN 144 144 18147 1 . PHE 145 145 18147 1 . GLU 146 146 18147 1 . LYS 147 147 18147 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 18147 _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 $RbfA . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 18147 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 18147 _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 $RbfA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pCold . . . . . . 18147 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18147 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 RbfA '[U-100% 13C; U-100% 15N]' . . 1 $RbfA . . 0.5 . . mM . . . . 18147 1 2 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 18147 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18147 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 18147 1 pH 4.0 . pH 18147 1 pressure 1 . atm 18147 1 temperature 308 . K 18147 1 stop_ save_ ############################ # Computer software used # ############################ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 18147 _Software.ID 1 _Software.Name AutoAssign _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 18147 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18147 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18147 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18147 _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 spectrometer_1 Bruker Avance . 800 . . . 18147 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 18147 _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 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18147 1 2 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18147 1 3 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18147 1 4 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18147 1 5 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18147 1 6 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18147 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18147 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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 1 _NMR_spec_expt.Software_label $AutoAssign _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_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18147 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.251449530 . . . . . . . . . 18147 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.00 . . . . . . . . . 18147 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . . . . . . . 18147 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18147 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 '2D 1H-15N HSQC' . . . 18147 1 2 '2D 1H-13C HSQC' . . . 18147 1 3 '3D CBCA(CO)NH' . . . 18147 1 4 '3D HNCO' . . . 18147 1 5 '3D HNCA' . . . 18147 1 6 '3D HNCACB' . . . 18147 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER H H 1 8.343 0.025 . 1 . . . . 1 SER H . 18147 1 2 . 1 1 1 1 SER C C 13 175.198 0.25 . 1 . . . . 1 SER C . 18147 1 3 . 1 1 1 1 SER CA C 13 58.856 0.25 . 1 . . . . 1 SER CA . 18147 1 4 . 1 1 1 1 SER CB C 13 64.114 0.25 . 1 . . . . 1 SER CB . 18147 1 5 . 1 1 1 1 SER N N 15 117.959 0.25 . 1 . . . . 1 SER N . 18147 1 6 . 1 1 2 2 GLY H H 1 8.357 0.025 . 1 . . . . 2 GLY H . 18147 1 7 . 1 1 2 2 GLY C C 13 174.232 0.25 . 1 . . . . 2 GLY C . 18147 1 8 . 1 1 2 2 GLY CA C 13 45.522 0.25 . 1 . . . . 2 GLY CA . 18147 1 9 . 1 1 2 2 GLY N N 15 110.709 0.25 . 1 . . . . 2 GLY N . 18147 1 10 . 1 1 3 3 VAL H H 1 7.878 0.025 . 1 . . . . 3 VAL H . 18147 1 11 . 1 1 3 3 VAL C C 13 176.146 0.25 . 1 . . . . 3 VAL C . 18147 1 12 . 1 1 3 3 VAL CA C 13 62.605 0.25 . 1 . . . . 3 VAL CA . 18147 1 13 . 1 1 3 3 VAL CB C 13 32.612 0.25 . 1 . . . . 3 VAL CB . 18147 1 14 . 1 1 3 3 VAL N N 15 119.069 0.25 . 1 . . . . 3 VAL N . 18147 1 15 . 1 1 4 4 HIS H H 1 8.290 0.025 . 1 . . . . 4 HIS H . 18147 1 16 . 1 1 4 4 HIS CA C 13 56.541 0.25 . 1 . . . . 4 HIS CA . 18147 1 17 . 1 1 4 4 HIS CB C 13 33.044 0.25 . 1 . . . . 4 HIS CB . 18147 1 18 . 1 1 4 4 HIS N N 15 125.148 0.25 . 1 . . . . 4 HIS N . 18147 1 19 . 1 1 5 5 MET H H 1 8.205 0.025 . 1 . . . . 5 MET H . 18147 1 20 . 1 1 5 5 MET C C 13 175.953 0.25 . 1 . . . . 5 MET C . 18147 1 21 . 1 1 5 5 MET CA C 13 55.714 0.25 . 1 . . . . 5 MET CA . 18147 1 22 . 1 1 5 5 MET CB C 13 33.172 0.25 . 1 . . . . 5 MET CB . 18147 1 23 . 1 1 5 5 MET N N 15 116.076 0.25 . 1 . . . . 5 MET N . 18147 1 24 . 1 1 6 6 ALA H H 1 8.352 0.025 . 1 . . . . 6 ALA H . 18147 1 25 . 1 1 6 6 ALA C C 13 177.943 0.25 . 1 . . . . 6 ALA C . 18147 1 26 . 1 1 6 6 ALA CA C 13 52.907 0.25 . 1 . . . . 6 ALA CA . 18147 1 27 . 1 1 6 6 ALA CB C 13 19.254 0.25 . 1 . . . . 6 ALA CB . 18147 1 28 . 1 1 6 6 ALA N N 15 125.555 0.25 . 1 . . . . 6 ALA N . 18147 1 29 . 1 1 7 7 LYS H H 1 8.232 0.025 . 1 . . . . 7 LYS H . 18147 1 30 . 1 1 7 7 LYS CA C 13 56.642 0.25 . 1 . . . . 7 LYS CA . 18147 1 31 . 1 1 7 7 LYS CB C 13 32.999 0.25 . 1 . . . . 7 LYS CB . 18147 1 32 . 1 1 7 7 LYS N N 15 120.310 0.25 . 1 . . . . 7 LYS N . 18147 1 33 . 1 1 8 8 GLU H H 1 8.571 0.025 . 1 . . . . 8 GLU H . 18147 1 34 . 1 1 8 8 GLU C C 13 176.010 0.25 . 1 . . . . 8 GLU C . 18147 1 35 . 1 1 8 8 GLU CA C 13 56.532 0.25 . 1 . . . . 8 GLU CA . 18147 1 36 . 1 1 8 8 GLU CB C 13 29.604 0.25 . 1 . . . . 8 GLU CB . 18147 1 37 . 1 1 8 8 GLU N N 15 122.190 0.25 . 1 . . . . 8 GLU N . 18147 1 38 . 1 1 9 9 PHE H H 1 8.218 0.025 . 1 . . . . 9 PHE H . 18147 1 39 . 1 1 9 9 PHE C C 13 176.242 0.25 . 1 . . . . 9 PHE C . 18147 1 40 . 1 1 9 9 PHE CA C 13 58.029 0.25 . 1 . . . . 9 PHE CA . 18147 1 41 . 1 1 9 9 PHE CB C 13 39.862 0.25 . 1 . . . . 9 PHE CB . 18147 1 42 . 1 1 9 9 PHE N N 15 121.009 0.25 . 1 . . . . 9 PHE N . 18147 1 43 . 1 1 10 10 GLY H H 1 8.302 0.025 . 1 . . . . 10 GLY H . 18147 1 44 . 1 1 10 10 GLY C C 13 174.000 0.25 . 1 . . . . 10 GLY C . 18147 1 45 . 1 1 10 10 GLY CA C 13 45.288 0.25 . 1 . . . . 10 GLY CA . 18147 1 46 . 1 1 10 10 GLY N N 15 110.088 0.25 . 1 . . . . 10 GLY N . 18147 1 47 . 1 1 11 11 ARG H H 1 8.357 0.025 . 1 . . . . 11 ARG H . 18147 1 48 . 1 1 11 11 ARG CA C 13 56.950 0.25 . 1 . . . . 11 ARG CA . 18147 1 49 . 1 1 11 11 ARG CB C 13 29.334 0.25 . 1 . . . . 11 ARG CB . 18147 1 50 . 1 1 11 11 ARG N N 15 121.418 0.25 . 1 . . . . 11 ARG N . 18147 1 51 . 1 1 12 12 PRO C C 13 178.042 0.25 . 1 . . . . 12 PRO C . 18147 1 52 . 1 1 12 12 PRO CA C 13 65.593 0.25 . 1 . . . . 12 PRO CA . 18147 1 53 . 1 1 12 12 PRO CB C 13 31.095 0.25 . 1 . . . . 12 PRO CB . 18147 1 54 . 1 1 13 13 GLN H H 1 8.105 0.025 . 1 . . . . 13 GLN H . 18147 1 55 . 1 1 13 13 GLN CA C 13 58.446 0.25 . 1 . . . . 13 GLN CA . 18147 1 56 . 1 1 13 13 GLN CB C 13 28.539 0.25 . 1 . . . . 13 GLN CB . 18147 1 57 . 1 1 13 13 GLN N N 15 117.341 0.25 . 1 . . . . 13 GLN N . 18147 1 58 . 1 1 14 14 ARG H H 1 8.062 0.025 . 1 . . . . 14 ARG H . 18147 1 59 . 1 1 14 14 ARG C C 13 176.249 0.25 . 1 . . . . 14 ARG C . 18147 1 60 . 1 1 14 14 ARG CA C 13 55.288 0.25 . 1 . . . . 14 ARG CA . 18147 1 61 . 1 1 14 14 ARG CB C 13 28.889 0.25 . 1 . . . . 14 ARG CB . 18147 1 62 . 1 1 14 14 ARG N N 15 121.021 0.25 . 1 . . . . 14 ARG N . 18147 1 63 . 1 1 15 15 VAL H H 1 8.570 0.025 . 1 . . . . 15 VAL H . 18147 1 64 . 1 1 15 15 VAL CA C 13 62.582 0.25 . 1 . . . . 15 VAL CA . 18147 1 65 . 1 1 15 15 VAL CB C 13 32.799 0.25 . 1 . . . . 15 VAL CB . 18147 1 66 . 1 1 15 15 VAL N N 15 122.176 0.25 . 1 . . . . 15 VAL N . 18147 1 67 . 1 1 16 16 ALA H H 1 7.940 0.025 . 1 . . . . 16 ALA H . 18147 1 68 . 1 1 16 16 ALA C C 13 179.739 0.25 . 1 . . . . 16 ALA C . 18147 1 69 . 1 1 16 16 ALA CA C 13 56.013 0.25 . 1 . . . . 16 ALA CA . 18147 1 70 . 1 1 16 16 ALA CB C 13 18.392 0.25 . 1 . . . . 16 ALA CB . 18147 1 71 . 1 1 16 16 ALA N N 15 120.944 0.25 . 1 . . . . 16 ALA N . 18147 1 72 . 1 1 17 17 GLN H H 1 7.818 0.025 . 1 . . . . 17 GLN H . 18147 1 73 . 1 1 17 17 GLN C C 13 179.252 0.25 . 1 . . . . 17 GLN C . 18147 1 74 . 1 1 17 17 GLN CA C 13 59.362 0.25 . 1 . . . . 17 GLN CA . 18147 1 75 . 1 1 17 17 GLN CB C 13 28.732 0.25 . 1 . . . . 17 GLN CB . 18147 1 76 . 1 1 17 17 GLN N N 15 116.866 0.25 . 1 . . . . 17 GLN N . 18147 1 77 . 1 1 18 18 GLU H H 1 8.002 0.025 . 1 . . . . 18 GLU H . 18147 1 78 . 1 1 18 18 GLU C C 13 179.136 0.25 . 1 . . . . 18 GLU C . 18147 1 79 . 1 1 18 18 GLU CA C 13 59.109 0.25 . 1 . . . . 18 GLU CA . 18147 1 80 . 1 1 18 18 GLU CB C 13 28.652 0.25 . 1 . . . . 18 GLU CB . 18147 1 81 . 1 1 18 18 GLU N N 15 120.244 0.25 . 1 . . . . 18 GLU N . 18147 1 82 . 1 1 19 19 MET H H 1 8.884 0.025 . 1 . . . . 19 MET H . 18147 1 83 . 1 1 19 19 MET C C 13 177.887 0.25 . 1 . . . . 19 MET C . 18147 1 84 . 1 1 19 19 MET CA C 13 59.545 0.25 . 1 . . . . 19 MET CA . 18147 1 85 . 1 1 19 19 MET CB C 13 28.542 0.25 . 1 . . . . 19 MET CB . 18147 1 86 . 1 1 19 19 MET N N 15 119.236 0.25 . 1 . . . . 19 MET N . 18147 1 87 . 1 1 20 20 GLN H H 1 8.430 0.025 . 1 . . . . 20 GLN H . 18147 1 88 . 1 1 20 20 GLN C C 13 177.011 0.25 . 1 . . . . 20 GLN C . 18147 1 89 . 1 1 20 20 GLN CA C 13 60.488 0.25 . 1 . . . . 20 GLN CA . 18147 1 90 . 1 1 20 20 GLN CB C 13 27.783 0.25 . 1 . . . . 20 GLN CB . 18147 1 91 . 1 1 20 20 GLN N N 15 119.818 0.25 . 1 . . . . 20 GLN N . 18147 1 92 . 1 1 21 21 LYS H H 1 7.337 0.025 . 1 . . . . 21 LYS H . 18147 1 93 . 1 1 21 21 LYS CA C 13 59.540 0.25 . 1 . . . . 21 LYS CA . 18147 1 94 . 1 1 21 21 LYS CB C 13 32.730 0.25 . 1 . . . . 21 LYS CB . 18147 1 95 . 1 1 21 21 LYS N N 15 117.167 0.25 . 1 . . . . 21 LYS N . 18147 1 96 . 1 1 22 22 GLU H H 1 8.140 0.025 . 1 . . . . 22 GLU H . 18147 1 97 . 1 1 22 22 GLU C C 13 179.029 0.25 . 1 . . . . 22 GLU C . 18147 1 98 . 1 1 22 22 GLU CA C 13 58.513 0.25 . 1 . . . . 22 GLU CA . 18147 1 99 . 1 1 22 22 GLU CB C 13 28.300 0.25 . 1 . . . . 22 GLU CB . 18147 1 100 . 1 1 22 22 GLU N N 15 117.448 0.25 . 1 . . . . 22 GLU N . 18147 1 101 . 1 1 23 23 ILE H H 1 9.105 0.025 . 1 . . . . 23 ILE H . 18147 1 102 . 1 1 23 23 ILE C C 13 177.171 0.25 . 1 . . . . 23 ILE C . 18147 1 103 . 1 1 23 23 ILE CA C 13 66.401 0.25 . 1 . . . . 23 ILE CA . 18147 1 104 . 1 1 23 23 ILE CB C 13 37.598 0.25 . 1 . . . . 23 ILE CB . 18147 1 105 . 1 1 23 23 ILE N N 15 119.037 0.25 . 1 . . . . 23 ILE N . 18147 1 106 . 1 1 24 24 ALA H H 1 7.856 0.025 . 1 . . . . 24 ALA H . 18147 1 107 . 1 1 24 24 ALA C C 13 180.036 0.25 . 1 . . . . 24 ALA C . 18147 1 108 . 1 1 24 24 ALA CA C 13 56.294 0.25 . 1 . . . . 24 ALA CA . 18147 1 109 . 1 1 24 24 ALA CB C 13 18.255 0.25 . 1 . . . . 24 ALA CB . 18147 1 110 . 1 1 24 24 ALA N N 15 121.134 0.25 . 1 . . . . 24 ALA N . 18147 1 111 . 1 1 25 25 LEU H H 1 7.526 0.025 . 1 . . . . 25 LEU H . 18147 1 112 . 1 1 25 25 LEU CA C 13 58.472 0.25 . 1 . . . . 25 LEU CA . 18147 1 113 . 1 1 25 25 LEU CB C 13 42.339 0.25 . 1 . . . . 25 LEU CB . 18147 1 114 . 1 1 25 25 LEU N N 15 118.416 0.25 . 1 . . . . 25 LEU N . 18147 1 115 . 1 1 26 26 ILE C C 13 178.918 0.25 . 1 . . . . 26 ILE C . 18147 1 116 . 1 1 26 26 ILE CA C 13 65.712 0.25 . 1 . . . . 26 ILE CA . 18147 1 117 . 1 1 26 26 ILE CB C 13 38.437 0.25 . 1 . . . . 26 ILE CB . 18147 1 118 . 1 1 27 27 LEU H H 1 8.540 0.025 . 1 . . . . 27 LEU H . 18147 1 119 . 1 1 27 27 LEU C C 13 178.478 0.25 . 1 . . . . 27 LEU C . 18147 1 120 . 1 1 27 27 LEU CA C 13 58.208 0.25 . 1 . . . . 27 LEU CA . 18147 1 121 . 1 1 27 27 LEU CB C 13 41.335 0.25 . 1 . . . . 27 LEU CB . 18147 1 122 . 1 1 27 27 LEU N N 15 118.575 0.25 . 1 . . . . 27 LEU N . 18147 1 123 . 1 1 28 28 GLN H H 1 7.807 0.025 . 1 . . . . 28 GLN H . 18147 1 124 . 1 1 28 28 GLN C C 13 178.409 0.25 . 1 . . . . 28 GLN C . 18147 1 125 . 1 1 28 28 GLN CA C 13 58.419 0.25 . 1 . . . . 28 GLN CA . 18147 1 126 . 1 1 28 28 GLN CB C 13 29.440 0.25 . 1 . . . . 28 GLN CB . 18147 1 127 . 1 1 28 28 GLN N N 15 115.314 0.25 . 1 . . . . 28 GLN N . 18147 1 128 . 1 1 29 29 ARG H H 1 8.123 0.025 . 1 . . . . 29 ARG H . 18147 1 129 . 1 1 29 29 ARG C C 13 178.066 0.25 . 1 . . . . 29 ARG C . 18147 1 130 . 1 1 29 29 ARG CA C 13 57.987 0.25 . 1 . . . . 29 ARG CA . 18147 1 131 . 1 1 29 29 ARG CB C 13 32.819 0.25 . 1 . . . . 29 ARG CB . 18147 1 132 . 1 1 29 29 ARG N N 15 114.548 0.25 . 1 . . . . 29 ARG N . 18147 1 133 . 1 1 30 30 GLU H H 1 8.336 0.025 . 1 . . . . 30 GLU H . 18147 1 134 . 1 1 30 30 GLU C C 13 176.000 0.25 . 1 . . . . 30 GLU C . 18147 1 135 . 1 1 30 30 GLU CA C 13 57.036 0.25 . 1 . . . . 30 GLU CA . 18147 1 136 . 1 1 30 30 GLU CB C 13 30.464 0.25 . 1 . . . . 30 GLU CB . 18147 1 137 . 1 1 30 30 GLU N N 15 115.566 0.25 . 1 . . . . 30 GLU N . 18147 1 138 . 1 1 31 31 ILE H H 1 7.363 0.025 . 1 . . . . 31 ILE H . 18147 1 139 . 1 1 31 31 ILE C C 13 175.476 0.25 . 1 . . . . 31 ILE C . 18147 1 140 . 1 1 31 31 ILE CA C 13 60.438 0.25 . 1 . . . . 31 ILE CA . 18147 1 141 . 1 1 31 31 ILE CB C 13 37.302 0.25 . 1 . . . . 31 ILE CB . 18147 1 142 . 1 1 31 31 ILE N N 15 118.373 0.25 . 1 . . . . 31 ILE N . 18147 1 143 . 1 1 32 32 LYS H H 1 8.375 0.025 . 1 . . . . 32 LYS H . 18147 1 144 . 1 1 32 32 LYS C C 13 175.746 0.25 . 1 . . . . 32 LYS C . 18147 1 145 . 1 1 32 32 LYS CA C 13 55.706 0.25 . 1 . . . . 32 LYS CA . 18147 1 146 . 1 1 32 32 LYS CB C 13 32.195 0.25 . 1 . . . . 32 LYS CB . 18147 1 147 . 1 1 32 32 LYS N N 15 125.036 0.25 . 1 . . . . 32 LYS N . 18147 1 148 . 1 1 33 33 ASP H H 1 7.757 0.025 . 1 . . . . 33 ASP H . 18147 1 149 . 1 1 33 33 ASP CA C 13 51.580 0.25 . 1 . . . . 33 ASP CA . 18147 1 150 . 1 1 33 33 ASP CB C 13 43.123 0.25 . 1 . . . . 33 ASP CB . 18147 1 151 . 1 1 33 33 ASP N N 15 121.859 0.25 . 1 . . . . 33 ASP N . 18147 1 152 . 1 1 34 34 PRO C C 13 178.300 0.25 . 1 . . . . 34 PRO C . 18147 1 153 . 1 1 34 34 PRO CA C 13 64.561 0.25 . 1 . . . . 34 PRO CA . 18147 1 154 . 1 1 34 34 PRO CB C 13 32.122 0.25 . 1 . . . . 34 PRO CB . 18147 1 155 . 1 1 35 35 ARG H H 1 8.652 0.025 . 1 . . . . 35 ARG H . 18147 1 156 . 1 1 35 35 ARG C C 13 177.226 0.25 . 1 . . . . 35 ARG C . 18147 1 157 . 1 1 35 35 ARG CA C 13 58.022 0.25 . 1 . . . . 35 ARG CA . 18147 1 158 . 1 1 35 35 ARG CB C 13 30.169 0.25 . 1 . . . . 35 ARG CB . 18147 1 159 . 1 1 35 35 ARG N N 15 117.596 0.25 . 1 . . . . 35 ARG N . 18147 1 160 . 1 1 36 36 LEU H H 1 7.681 0.025 . 1 . . . . 36 LEU H . 18147 1 161 . 1 1 36 36 LEU C C 13 178.004 0.25 . 1 . . . . 36 LEU C . 18147 1 162 . 1 1 36 36 LEU CA C 13 55.437 0.25 . 1 . . . . 36 LEU CA . 18147 1 163 . 1 1 36 36 LEU CB C 13 42.516 0.25 . 1 . . . . 36 LEU CB . 18147 1 164 . 1 1 36 36 LEU N N 15 118.368 0.25 . 1 . . . . 36 LEU N . 18147 1 165 . 1 1 37 37 GLY H H 1 7.990 0.025 . 1 . . . . 37 GLY H . 18147 1 166 . 1 1 37 37 GLY CA C 13 46.585 0.25 . 1 . . . . 37 GLY CA . 18147 1 167 . 1 1 37 37 GLY N N 15 107.210 0.25 . 1 . . . . 37 GLY N . 18147 1 168 . 1 1 38 38 MET H H 1 8.103 0.025 . 1 . . . . 38 MET H . 18147 1 169 . 1 1 38 38 MET C C 13 176.563 0.25 . 1 . . . . 38 MET C . 18147 1 170 . 1 1 38 38 MET CA C 13 56.384 0.25 . 1 . . . . 38 MET CA . 18147 1 171 . 1 1 38 38 MET CB C 13 33.092 0.25 . 1 . . . . 38 MET CB . 18147 1 172 . 1 1 38 38 MET N N 15 117.729 0.25 . 1 . . . . 38 MET N . 18147 1 173 . 1 1 39 39 MET H H 1 8.532 0.025 . 1 . . . . 39 MET H . 18147 1 174 . 1 1 39 39 MET CA C 13 55.765 0.25 . 1 . . . . 39 MET CA . 18147 1 175 . 1 1 39 39 MET CB C 13 29.014 0.25 . 1 . . . . 39 MET CB . 18147 1 176 . 1 1 39 39 MET N N 15 119.970 0.25 . 1 . . . . 39 MET N . 18147 1 177 . 1 1 41 41 THR C C 13 173.177 0.25 . 1 . . . . 41 THR C . 18147 1 178 . 1 1 41 41 THR CA C 13 61.209 0.25 . 1 . . . . 41 THR CA . 18147 1 179 . 1 1 41 41 THR CB C 13 70.855 0.25 . 1 . . . . 41 THR CB . 18147 1 180 . 1 1 42 42 VAL H H 1 8.770 0.025 . 1 . . . . 42 VAL H . 18147 1 181 . 1 1 42 42 VAL CA C 13 61.547 0.25 . 1 . . . . 42 VAL CA . 18147 1 182 . 1 1 42 42 VAL CB C 13 31.593 0.25 . 1 . . . . 42 VAL CB . 18147 1 183 . 1 1 42 42 VAL N N 15 124.694 0.25 . 1 . . . . 42 VAL N . 18147 1 184 . 1 1 43 43 SER H H 1 9.154 0.025 . 1 . . . . 43 SER H . 18147 1 185 . 1 1 43 43 SER C C 13 175.647 0.25 . 1 . . . . 43 SER C . 18147 1 186 . 1 1 43 43 SER CA C 13 59.333 0.25 . 1 . . . . 43 SER CA . 18147 1 187 . 1 1 43 43 SER CB C 13 64.078 0.25 . 1 . . . . 43 SER CB . 18147 1 188 . 1 1 43 43 SER N N 15 125.497 0.25 . 1 . . . . 43 SER N . 18147 1 189 . 1 1 44 44 GLY H H 1 7.630 0.025 . 1 . . . . 44 GLY H . 18147 1 190 . 1 1 44 44 GLY CA C 13 46.172 0.25 . 1 . . . . 44 GLY CA . 18147 1 191 . 1 1 44 44 GLY N N 15 107.684 0.25 . 1 . . . . 44 GLY N . 18147 1 192 . 1 1 45 45 VAL CA C 13 61.448 0.25 . 1 . . . . 45 VAL CA . 18147 1 193 . 1 1 45 45 VAL CB C 13 35.687 0.25 . 1 . . . . 45 VAL CB . 18147 1 194 . 1 1 46 46 GLU H H 1 9.230 0.025 . 1 . . . . 46 GLU H . 18147 1 195 . 1 1 46 46 GLU C C 13 175.545 0.25 . 1 . . . . 46 GLU C . 18147 1 196 . 1 1 46 46 GLU CA C 13 54.420 0.25 . 1 . . . . 46 GLU CA . 18147 1 197 . 1 1 46 46 GLU CB C 13 32.099 0.25 . 1 . . . . 46 GLU CB . 18147 1 198 . 1 1 46 46 GLU N N 15 125.742 0.25 . 1 . . . . 46 GLU N . 18147 1 199 . 1 1 47 47 MET H H 1 9.055 0.025 . 1 . . . . 47 MET H . 18147 1 200 . 1 1 47 47 MET C C 13 176.805 0.25 . 1 . . . . 47 MET C . 18147 1 201 . 1 1 47 47 MET CA C 13 53.510 0.25 . 1 . . . . 47 MET CA . 18147 1 202 . 1 1 47 47 MET CB C 13 33.953 0.25 . 1 . . . . 47 MET CB . 18147 1 203 . 1 1 47 47 MET N N 15 124.906 0.25 . 1 . . . . 47 MET N . 18147 1 204 . 1 1 48 48 SER H H 1 8.705 0.025 . 1 . . . . 48 SER H . 18147 1 205 . 1 1 48 48 SER C C 13 176.723 0.25 . 1 . . . . 48 SER C . 18147 1 206 . 1 1 48 48 SER CA C 13 58.690 0.25 . 1 . . . . 48 SER CA . 18147 1 207 . 1 1 48 48 SER CB C 13 62.817 0.25 . 1 . . . . 48 SER CB . 18147 1 208 . 1 1 48 48 SER N N 15 118.351 0.25 . 1 . . . . 48 SER N . 18147 1 209 . 1 1 49 49 ARG H H 1 8.871 0.025 . 1 . . . . 49 ARG H . 18147 1 210 . 1 1 49 49 ARG C C 13 176.854 0.25 . 1 . . . . 49 ARG C . 18147 1 211 . 1 1 49 49 ARG CA C 13 59.507 0.25 . 1 . . . . 49 ARG CA . 18147 1 212 . 1 1 49 49 ARG CB C 13 29.807 0.25 . 1 . . . . 49 ARG CB . 18147 1 213 . 1 1 49 49 ARG N N 15 122.281 0.25 . 1 . . . . 49 ARG N . 18147 1 214 . 1 1 50 50 ASP H H 1 7.949 0.025 . 1 . . . . 50 ASP H . 18147 1 215 . 1 1 50 50 ASP C C 13 176.220 0.25 . 1 . . . . 50 ASP C . 18147 1 216 . 1 1 50 50 ASP CA C 13 52.906 0.25 . 1 . . . . 50 ASP CA . 18147 1 217 . 1 1 50 50 ASP CB C 13 40.133 0.25 . 1 . . . . 50 ASP CB . 18147 1 218 . 1 1 50 50 ASP N N 15 114.433 0.25 . 1 . . . . 50 ASP N . 18147 1 219 . 1 1 51 51 LEU H H 1 8.008 0.025 . 1 . . . . 51 LEU H . 18147 1 220 . 1 1 51 51 LEU C C 13 174.853 0.25 . 1 . . . . 51 LEU C . 18147 1 221 . 1 1 51 51 LEU CA C 13 56.737 0.25 . 1 . . . . 51 LEU CA . 18147 1 222 . 1 1 51 51 LEU CB C 13 38.951 0.25 . 1 . . . . 51 LEU CB . 18147 1 223 . 1 1 51 51 LEU N N 15 114.120 0.25 . 1 . . . . 51 LEU N . 18147 1 224 . 1 1 52 52 ALA H H 1 7.524 0.025 . 1 . . . . 52 ALA H . 18147 1 225 . 1 1 52 52 ALA C C 13 177.585 0.25 . 1 . . . . 52 ALA C . 18147 1 226 . 1 1 52 52 ALA CA C 13 53.577 0.25 . 1 . . . . 52 ALA CA . 18147 1 227 . 1 1 52 52 ALA CB C 13 19.787 0.25 . 1 . . . . 52 ALA CB . 18147 1 228 . 1 1 52 52 ALA N N 15 118.389 0.25 . 1 . . . . 52 ALA N . 18147 1 229 . 1 1 53 53 TYR H H 1 8.057 0.025 . 1 . . . . 53 TYR H . 18147 1 230 . 1 1 53 53 TYR CA C 13 56.993 0.25 . 1 . . . . 53 TYR CA . 18147 1 231 . 1 1 53 53 TYR CB C 13 41.785 0.25 . 1 . . . . 53 TYR CB . 18147 1 232 . 1 1 53 53 TYR N N 15 117.391 0.25 . 1 . . . . 53 TYR N . 18147 1 233 . 1 1 54 54 ALA H H 1 8.877 0.025 . 1 . . . . 54 ALA H . 18147 1 234 . 1 1 54 54 ALA C C 13 175.598 0.25 . 1 . . . . 54 ALA C . 18147 1 235 . 1 1 54 54 ALA CA C 13 50.800 0.25 . 1 . . . . 54 ALA CA . 18147 1 236 . 1 1 54 54 ALA CB C 13 22.213 0.25 . 1 . . . . 54 ALA CB . 18147 1 237 . 1 1 54 54 ALA N N 15 123.769 0.25 . 1 . . . . 54 ALA N . 18147 1 238 . 1 1 55 55 LYS H H 1 8.852 0.025 . 1 . . . . 55 LYS H . 18147 1 239 . 1 1 55 55 LYS C C 13 174.688 0.25 . 1 . . . . 55 LYS C . 18147 1 240 . 1 1 55 55 LYS CA C 13 55.432 0.25 . 1 . . . . 55 LYS CA . 18147 1 241 . 1 1 55 55 LYS CB C 13 34.094 0.25 . 1 . . . . 55 LYS CB . 18147 1 242 . 1 1 55 55 LYS N N 15 123.527 0.25 . 1 . . . . 55 LYS N . 18147 1 243 . 1 1 56 56 VAL H H 1 8.852 0.025 . 1 . . . . 56 VAL H . 18147 1 244 . 1 1 56 56 VAL CA C 13 61.513 0.25 . 1 . . . . 56 VAL CA . 18147 1 245 . 1 1 56 56 VAL CB C 13 32.281 0.25 . 1 . . . . 56 VAL CB . 18147 1 246 . 1 1 56 56 VAL N N 15 124.599 0.25 . 1 . . . . 56 VAL N . 18147 1 247 . 1 1 57 57 TYR H H 1 8.871 0.025 . 1 . . . . 57 TYR H . 18147 1 248 . 1 1 57 57 TYR C C 13 176.327 0.25 . 1 . . . . 57 TYR C . 18147 1 249 . 1 1 57 57 TYR CA C 13 57.683 0.25 . 1 . . . . 57 TYR CA . 18147 1 250 . 1 1 57 57 TYR CB C 13 37.857 0.25 . 1 . . . . 57 TYR CB . 18147 1 251 . 1 1 57 57 TYR N N 15 127.504 0.25 . 1 . . . . 57 TYR N . 18147 1 252 . 1 1 58 58 VAL H H 1 8.822 0.025 . 1 . . . . 58 VAL H . 18147 1 253 . 1 1 58 58 VAL C C 13 174.675 0.25 . 1 . . . . 58 VAL C . 18147 1 254 . 1 1 58 58 VAL CA C 13 58.848 0.25 . 1 . . . . 58 VAL CA . 18147 1 255 . 1 1 58 58 VAL CB C 13 35.711 0.25 . 1 . . . . 58 VAL CB . 18147 1 256 . 1 1 58 58 VAL N N 15 116.857 0.25 . 1 . . . . 58 VAL N . 18147 1 257 . 1 1 59 59 THR H H 1 8.596 0.025 . 1 . . . . 59 THR H . 18147 1 258 . 1 1 59 59 THR CA C 13 59.850 0.25 . 1 . . . . 59 THR CA . 18147 1 259 . 1 1 59 59 THR CB C 13 71.317 0.25 . 1 . . . . 59 THR CB . 18147 1 260 . 1 1 59 59 THR N N 15 113.400 0.25 . 1 . . . . 59 THR N . 18147 1 261 . 1 1 60 60 PHE H H 1 9.080 0.025 . 1 . . . . 60 PHE H . 18147 1 262 . 1 1 60 60 PHE CA C 13 56.945 0.25 . 1 . . . . 60 PHE CA . 18147 1 263 . 1 1 60 60 PHE CB C 13 44.233 0.25 . 1 . . . . 60 PHE CB . 18147 1 264 . 1 1 60 60 PHE N N 15 119.558 0.25 . 1 . . . . 60 PHE N . 18147 1 265 . 1 1 61 61 LEU H H 1 8.173 0.025 . 1 . . . . 61 LEU H . 18147 1 266 . 1 1 61 61 LEU C C 13 177.541 0.25 . 1 . . . . 61 LEU C . 18147 1 267 . 1 1 61 61 LEU CA C 13 57.287 0.25 . 1 . . . . 61 LEU CA . 18147 1 268 . 1 1 61 61 LEU CB C 13 40.916 0.25 . 1 . . . . 61 LEU CB . 18147 1 269 . 1 1 61 61 LEU N N 15 120.977 0.25 . 1 . . . . 61 LEU N . 18147 1 270 . 1 1 62 62 ASN H H 1 8.417 0.025 . 1 . . . . 62 ASN H . 18147 1 271 . 1 1 62 62 ASN C C 13 174.699 0.25 . 1 . . . . 62 ASN C . 18147 1 272 . 1 1 62 62 ASN CA C 13 52.900 0.25 . 1 . . . . 62 ASN CA . 18147 1 273 . 1 1 62 62 ASN CB C 13 38.153 0.25 . 1 . . . . 62 ASN CB . 18147 1 274 . 1 1 62 62 ASN N N 15 117.944 0.25 . 1 . . . . 62 ASN N . 18147 1 275 . 1 1 63 63 ASP H H 1 8.088 0.025 . 1 . . . . 63 ASP H . 18147 1 276 . 1 1 63 63 ASP C C 13 175.648 0.25 . 1 . . . . 63 ASP C . 18147 1 277 . 1 1 63 63 ASP CA C 13 53.443 0.25 . 1 . . . . 63 ASP CA . 18147 1 278 . 1 1 63 63 ASP CB C 13 39.159 0.25 . 1 . . . . 63 ASP CB . 18147 1 279 . 1 1 63 63 ASP N N 15 118.958 0.25 . 1 . . . . 63 ASP N . 18147 1 280 . 1 1 64 64 LYS H H 1 8.278 0.025 . 1 . . . . 64 LYS H . 18147 1 281 . 1 1 64 64 LYS C C 13 176.249 0.25 . 1 . . . . 64 LYS C . 18147 1 282 . 1 1 64 64 LYS CA C 13 57.036 0.25 . 1 . . . . 64 LYS CA . 18147 1 283 . 1 1 64 64 LYS CB C 13 32.788 0.25 . 1 . . . . 64 LYS CB . 18147 1 284 . 1 1 64 64 LYS N N 15 119.523 0.25 . 1 . . . . 64 LYS N . 18147 1 285 . 1 1 65 65 ASP H H 1 7.702 0.025 . 1 . . . . 65 ASP H . 18147 1 286 . 1 1 65 65 ASP C C 13 175.764 0.25 . 1 . . . . 65 ASP C . 18147 1 287 . 1 1 65 65 ASP CA C 13 52.741 0.25 . 1 . . . . 65 ASP CA . 18147 1 288 . 1 1 65 65 ASP CB C 13 40.590 0.25 . 1 . . . . 65 ASP CB . 18147 1 289 . 1 1 65 65 ASP N N 15 118.055 0.25 . 1 . . . . 65 ASP N . 18147 1 290 . 1 1 66 66 GLU H H 1 8.676 0.025 . 1 . . . . 66 GLU H . 18147 1 291 . 1 1 66 66 GLU C C 13 178.193 0.25 . 1 . . . . 66 GLU C . 18147 1 292 . 1 1 66 66 GLU CA C 13 59.260 0.25 . 1 . . . . 66 GLU CA . 18147 1 293 . 1 1 66 66 GLU CB C 13 28.461 0.25 . 1 . . . . 66 GLU CB . 18147 1 294 . 1 1 66 66 GLU N N 15 123.208 0.25 . 1 . . . . 66 GLU N . 18147 1 295 . 1 1 67 67 ASP H H 1 8.377 0.025 . 1 . . . . 67 ASP H . 18147 1 296 . 1 1 67 67 ASP C C 13 178.493 0.25 . 1 . . . . 67 ASP C . 18147 1 297 . 1 1 67 67 ASP CA C 13 57.139 0.25 . 1 . . . . 67 ASP CA . 18147 1 298 . 1 1 67 67 ASP CB C 13 39.157 0.25 . 1 . . . . 67 ASP CB . 18147 1 299 . 1 1 67 67 ASP N N 15 118.661 0.25 . 1 . . . . 67 ASP N . 18147 1 300 . 1 1 68 68 ALA H H 1 7.729 0.025 . 1 . . . . 68 ALA H . 18147 1 301 . 1 1 68 68 ALA C C 13 180.900 0.25 . 1 . . . . 68 ALA C . 18147 1 302 . 1 1 68 68 ALA CA C 13 54.752 0.25 . 1 . . . . 68 ALA CA . 18147 1 303 . 1 1 68 68 ALA CB C 13 18.319 0.25 . 1 . . . . 68 ALA CB . 18147 1 304 . 1 1 68 68 ALA N N 15 124.213 0.25 . 1 . . . . 68 ALA N . 18147 1 305 . 1 1 69 69 VAL H H 1 7.757 0.025 . 1 . . . . 69 VAL H . 18147 1 306 . 1 1 69 69 VAL C C 13 177.792 0.25 . 1 . . . . 69 VAL C . 18147 1 307 . 1 1 69 69 VAL CA C 13 66.538 0.25 . 1 . . . . 69 VAL CA . 18147 1 308 . 1 1 69 69 VAL CB C 13 31.480 0.25 . 1 . . . . 69 VAL CB . 18147 1 309 . 1 1 69 69 VAL N N 15 120.231 0.25 . 1 . . . . 69 VAL N . 18147 1 310 . 1 1 70 70 LYS H H 1 7.962 0.025 . 1 . . . . 70 LYS H . 18147 1 311 . 1 1 70 70 LYS C C 13 179.899 0.25 . 1 . . . . 70 LYS C . 18147 1 312 . 1 1 70 70 LYS CA C 13 60.131 0.25 . 1 . . . . 70 LYS CA . 18147 1 313 . 1 1 70 70 LYS CB C 13 32.305 0.25 . 1 . . . . 70 LYS CB . 18147 1 314 . 1 1 70 70 LYS N N 15 118.430 0.25 . 1 . . . . 70 LYS N . 18147 1 315 . 1 1 71 71 ALA H H 1 7.842 0.025 . 1 . . . . 71 ALA H . 18147 1 316 . 1 1 71 71 ALA C C 13 180.276 0.25 . 1 . . . . 71 ALA C . 18147 1 317 . 1 1 71 71 ALA CA C 13 54.945 0.25 . 1 . . . . 71 ALA CA . 18147 1 318 . 1 1 71 71 ALA CB C 13 18.001 0.25 . 1 . . . . 71 ALA CB . 18147 1 319 . 1 1 71 71 ALA N N 15 120.870 0.25 . 1 . . . . 71 ALA N . 18147 1 320 . 1 1 72 72 GLY H H 1 8.080 0.025 . 1 . . . . 72 GLY H . 18147 1 321 . 1 1 72 72 GLY C C 13 175.380 0.25 . 1 . . . . 72 GLY C . 18147 1 322 . 1 1 72 72 GLY CA C 13 47.250 0.25 . 1 . . . . 72 GLY CA . 18147 1 323 . 1 1 72 72 GLY N N 15 108.408 0.25 . 1 . . . . 72 GLY N . 18147 1 324 . 1 1 73 73 ILE H H 1 8.287 0.025 . 1 . . . . 73 ILE H . 18147 1 325 . 1 1 73 73 ILE CA C 13 62.803 0.25 . 1 . . . . 73 ILE CA . 18147 1 326 . 1 1 73 73 ILE CB C 13 35.475 0.25 . 1 . . . . 73 ILE CB . 18147 1 327 . 1 1 73 73 ILE N N 15 121.500 0.25 . 1 . . . . 73 ILE N . 18147 1 328 . 1 1 74 74 LYS H H 1 7.797 0.025 . 1 . . . . 74 LYS H . 18147 1 329 . 1 1 74 74 LYS C C 13 178.653 0.25 . 1 . . . . 74 LYS C . 18147 1 330 . 1 1 74 74 LYS CA C 13 59.535 0.25 . 1 . . . . 74 LYS CA . 18147 1 331 . 1 1 74 74 LYS CB C 13 32.443 0.25 . 1 . . . . 74 LYS CB . 18147 1 332 . 1 1 74 74 LYS N N 15 120.147 0.25 . 1 . . . . 74 LYS N . 18147 1 333 . 1 1 75 75 ALA H H 1 7.908 0.025 . 1 . . . . 75 ALA H . 18147 1 334 . 1 1 75 75 ALA C C 13 181.104 0.25 . 1 . . . . 75 ALA C . 18147 1 335 . 1 1 75 75 ALA CA C 13 55.431 0.25 . 1 . . . . 75 ALA CA . 18147 1 336 . 1 1 75 75 ALA CB C 13 18.142 0.25 . 1 . . . . 75 ALA CB . 18147 1 337 . 1 1 75 75 ALA N N 15 120.856 0.25 . 1 . . . . 75 ALA N . 18147 1 338 . 1 1 76 76 LEU H H 1 7.792 0.025 . 1 . . . . 76 LEU H . 18147 1 339 . 1 1 76 76 LEU C C 13 178.087 0.25 . 1 . . . . 76 LEU C . 18147 1 340 . 1 1 76 76 LEU CA C 13 57.945 0.25 . 1 . . . . 76 LEU CA . 18147 1 341 . 1 1 76 76 LEU CB C 13 40.196 0.25 . 1 . . . . 76 LEU CB . 18147 1 342 . 1 1 76 76 LEU N N 15 119.546 0.25 . 1 . . . . 76 LEU N . 18147 1 343 . 1 1 77 77 GLN H H 1 8.432 0.025 . 1 . . . . 77 GLN H . 18147 1 344 . 1 1 77 77 GLN C C 13 181.522 0.25 . 1 . . . . 77 GLN C . 18147 1 345 . 1 1 77 77 GLN CA C 13 59.186 0.25 . 1 . . . . 77 GLN CA . 18147 1 346 . 1 1 77 77 GLN CB C 13 28.650 0.25 . 1 . . . . 77 GLN CB . 18147 1 347 . 1 1 77 77 GLN N N 15 118.071 0.25 . 1 . . . . 77 GLN N . 18147 1 348 . 1 1 78 78 GLU H H 1 8.658 0.025 . 1 . . . . 78 GLU H . 18147 1 349 . 1 1 78 78 GLU C C 13 178.150 0.25 . 1 . . . . 78 GLU C . 18147 1 350 . 1 1 78 78 GLU CA C 13 59.030 0.25 . 1 . . . . 78 GLU CA . 18147 1 351 . 1 1 78 78 GLU CB C 13 28.566 0.25 . 1 . . . . 78 GLU CB . 18147 1 352 . 1 1 78 78 GLU N N 15 119.624 0.25 . 1 . . . . 78 GLU N . 18147 1 353 . 1 1 79 79 ALA H H 1 7.629 0.025 . 1 . . . . 79 ALA H . 18147 1 354 . 1 1 79 79 ALA C C 13 178.400 0.25 . 1 . . . . 79 ALA C . 18147 1 355 . 1 1 79 79 ALA CA C 13 52.162 0.25 . 1 . . . . 79 ALA CA . 18147 1 356 . 1 1 79 79 ALA CB C 13 18.494 0.25 . 1 . . . . 79 ALA CB . 18147 1 357 . 1 1 79 79 ALA N N 15 120.623 0.25 . 1 . . . . 79 ALA N . 18147 1 358 . 1 1 80 80 SER H H 1 7.824 0.025 . 1 . . . . 80 SER H . 18147 1 359 . 1 1 80 80 SER C C 13 176.417 0.25 . 1 . . . . 80 SER C . 18147 1 360 . 1 1 80 80 SER CA C 13 64.131 0.25 . 1 . . . . 80 SER CA . 18147 1 361 . 1 1 80 80 SER CB C 13 63.455 0.25 . 1 . . . . 80 SER CB . 18147 1 362 . 1 1 80 80 SER N N 15 116.390 0.25 . 1 . . . . 80 SER N . 18147 1 363 . 1 1 81 81 GLY H H 1 8.793 0.025 . 1 . . . . 81 GLY H . 18147 1 364 . 1 1 81 81 GLY C C 13 176.536 0.25 . 1 . . . . 81 GLY C . 18147 1 365 . 1 1 81 81 GLY CA C 13 47.653 0.25 . 1 . . . . 81 GLY CA . 18147 1 366 . 1 1 81 81 GLY N N 15 111.205 0.25 . 1 . . . . 81 GLY N . 18147 1 367 . 1 1 82 82 PHE H H 1 8.056 0.025 . 1 . . . . 82 PHE H . 18147 1 368 . 1 1 82 82 PHE C C 13 178.263 0.25 . 1 . . . . 82 PHE C . 18147 1 369 . 1 1 82 82 PHE CA C 13 60.090 0.25 . 1 . . . . 82 PHE CA . 18147 1 370 . 1 1 82 82 PHE CB C 13 39.152 0.25 . 1 . . . . 82 PHE CB . 18147 1 371 . 1 1 82 82 PHE N N 15 125.627 0.25 . 1 . . . . 82 PHE N . 18147 1 372 . 1 1 83 83 ILE H H 1 8.733 0.025 . 1 . . . . 83 ILE H . 18147 1 373 . 1 1 83 83 ILE C C 13 177.923 0.25 . 1 . . . . 83 ILE C . 18147 1 374 . 1 1 83 83 ILE CA C 13 66.343 0.25 . 1 . . . . 83 ILE CA . 18147 1 375 . 1 1 83 83 ILE CB C 13 38.317 0.25 . 1 . . . . 83 ILE CB . 18147 1 376 . 1 1 83 83 ILE N N 15 119.659 0.25 . 1 . . . . 83 ILE N . 18147 1 377 . 1 1 84 84 ARG H H 1 8.819 0.025 . 1 . . . . 84 ARG H . 18147 1 378 . 1 1 84 84 ARG C C 13 178.265 0.25 . 1 . . . . 84 ARG C . 18147 1 379 . 1 1 84 84 ARG CA C 13 60.915 0.25 . 1 . . . . 84 ARG CA . 18147 1 380 . 1 1 84 84 ARG CB C 13 30.510 0.25 . 1 . . . . 84 ARG CB . 18147 1 381 . 1 1 84 84 ARG N N 15 118.827 0.25 . 1 . . . . 84 ARG N . 18147 1 382 . 1 1 85 85 SER H H 1 7.868 0.025 . 1 . . . . 85 SER H . 18147 1 383 . 1 1 85 85 SER C C 13 177.720 0.25 . 1 . . . . 85 SER C . 18147 1 384 . 1 1 85 85 SER CA C 13 61.659 0.25 . 1 . . . . 85 SER CA . 18147 1 385 . 1 1 85 85 SER CB C 13 62.814 0.25 . 1 . . . . 85 SER CB . 18147 1 386 . 1 1 85 85 SER N N 15 115.025 0.25 . 1 . . . . 85 SER N . 18147 1 387 . 1 1 86 86 LEU H H 1 7.706 0.025 . 1 . . . . 86 LEU H . 18147 1 388 . 1 1 86 86 LEU C C 13 180.487 0.25 . 1 . . . . 86 LEU C . 18147 1 389 . 1 1 86 86 LEU CA C 13 57.945 0.25 . 1 . . . . 86 LEU CA . 18147 1 390 . 1 1 86 86 LEU CB C 13 41.883 0.25 . 1 . . . . 86 LEU CB . 18147 1 391 . 1 1 86 86 LEU N N 15 122.402 0.25 . 1 . . . . 86 LEU N . 18147 1 392 . 1 1 87 87 LEU H H 1 8.730 0.025 . 1 . . . . 87 LEU H . 18147 1 393 . 1 1 87 87 LEU C C 13 178.871 0.25 . 1 . . . . 87 LEU C . 18147 1 394 . 1 1 87 87 LEU CA C 13 58.109 0.25 . 1 . . . . 87 LEU CA . 18147 1 395 . 1 1 87 87 LEU CB C 13 42.690 0.25 . 1 . . . . 87 LEU CB . 18147 1 396 . 1 1 87 87 LEU N N 15 122.638 0.25 . 1 . . . . 87 LEU N . 18147 1 397 . 1 1 88 88 GLY H H 1 8.348 0.025 . 1 . . . . 88 GLY H . 18147 1 398 . 1 1 88 88 GLY C C 13 175.869 0.25 . 1 . . . . 88 GLY C . 18147 1 399 . 1 1 88 88 GLY CA C 13 47.903 0.25 . 1 . . . . 88 GLY CA . 18147 1 400 . 1 1 88 88 GLY N N 15 104.511 0.25 . 1 . . . . 88 GLY N . 18147 1 401 . 1 1 89 89 LYS H H 1 7.245 0.025 . 1 . . . . 89 LYS H . 18147 1 402 . 1 1 89 89 LYS C C 13 178.667 0.25 . 1 . . . . 89 LYS C . 18147 1 403 . 1 1 89 89 LYS CA C 13 58.390 0.25 . 1 . . . . 89 LYS CA . 18147 1 404 . 1 1 89 89 LYS CB C 13 32.881 0.25 . 1 . . . . 89 LYS CB . 18147 1 405 . 1 1 89 89 LYS N N 15 118.586 0.25 . 1 . . . . 89 LYS N . 18147 1 406 . 1 1 90 90 ALA H H 1 7.955 0.025 . 1 . . . . 90 ALA H . 18147 1 407 . 1 1 90 90 ALA C C 13 179.106 0.25 . 1 . . . . 90 ALA C . 18147 1 408 . 1 1 90 90 ALA CA C 13 54.625 0.25 . 1 . . . . 90 ALA CA . 18147 1 409 . 1 1 90 90 ALA CB C 13 19.368 0.25 . 1 . . . . 90 ALA CB . 18147 1 410 . 1 1 90 90 ALA N N 15 120.970 0.25 . 1 . . . . 90 ALA N . 18147 1 411 . 1 1 91 91 MET H H 1 8.069 0.025 . 1 . . . . 91 MET H . 18147 1 412 . 1 1 91 91 MET C C 13 174.666 0.25 . 1 . . . . 91 MET C . 18147 1 413 . 1 1 91 91 MET CA C 13 56.115 0.25 . 1 . . . . 91 MET CA . 18147 1 414 . 1 1 91 91 MET CB C 13 35.892 0.25 . 1 . . . . 91 MET CB . 18147 1 415 . 1 1 91 91 MET N N 15 113.024 0.25 . 1 . . . . 91 MET N . 18147 1 416 . 1 1 92 92 ARG H H 1 7.941 0.025 . 1 . . . . 92 ARG H . 18147 1 417 . 1 1 92 92 ARG C C 13 175.758 0.25 . 1 . . . . 92 ARG C . 18147 1 418 . 1 1 92 92 ARG CA C 13 56.549 0.25 . 1 . . . . 92 ARG CA . 18147 1 419 . 1 1 92 92 ARG CB C 13 27.249 0.25 . 1 . . . . 92 ARG CB . 18147 1 420 . 1 1 92 92 ARG N N 15 119.779 0.25 . 1 . . . . 92 ARG N . 18147 1 421 . 1 1 93 93 LEU H H 1 7.758 0.025 . 1 . . . . 93 LEU H . 18147 1 422 . 1 1 93 93 LEU C C 13 177.104 0.25 . 1 . . . . 93 LEU C . 18147 1 423 . 1 1 93 93 LEU CA C 13 53.964 0.25 . 1 . . . . 93 LEU CA . 18147 1 424 . 1 1 93 93 LEU CB C 13 44.502 0.25 . 1 . . . . 93 LEU CB . 18147 1 425 . 1 1 93 93 LEU N N 15 119.877 0.25 . 1 . . . . 93 LEU N . 18147 1 426 . 1 1 94 94 ARG H H 1 8.542 0.025 . 1 . . . . 94 ARG H . 18147 1 427 . 1 1 94 94 ARG C C 13 176.693 0.25 . 1 . . . . 94 ARG C . 18147 1 428 . 1 1 94 94 ARG CA C 13 58.416 0.25 . 1 . . . . 94 ARG CA . 18147 1 429 . 1 1 94 94 ARG CB C 13 30.451 0.25 . 1 . . . . 94 ARG CB . 18147 1 430 . 1 1 94 94 ARG N N 15 122.732 0.25 . 1 . . . . 94 ARG N . 18147 1 431 . 1 1 95 95 ILE H H 1 7.510 0.025 . 1 . . . . 95 ILE H . 18147 1 432 . 1 1 95 95 ILE C C 13 174.497 0.25 . 1 . . . . 95 ILE C . 18147 1 433 . 1 1 95 95 ILE CA C 13 59.957 0.25 . 1 . . . . 95 ILE CA . 18147 1 434 . 1 1 95 95 ILE CB C 13 39.737 0.25 . 1 . . . . 95 ILE CB . 18147 1 435 . 1 1 95 95 ILE N N 15 117.478 0.25 . 1 . . . . 95 ILE N . 18147 1 436 . 1 1 96 96 VAL H H 1 8.646 0.025 . 1 . . . . 96 VAL H . 18147 1 437 . 1 1 96 96 VAL CA C 13 59.750 0.25 . 1 . . . . 96 VAL CA . 18147 1 438 . 1 1 96 96 VAL CB C 13 32.645 0.25 . 1 . . . . 96 VAL CB . 18147 1 439 . 1 1 96 96 VAL N N 15 127.920 0.25 . 1 . . . . 96 VAL N . 18147 1 440 . 1 1 97 97 PRO C C 13 176.695 0.25 . 1 . . . . 97 PRO C . 18147 1 441 . 1 1 97 97 PRO CA C 13 63.161 0.25 . 1 . . . . 97 PRO CA . 18147 1 442 . 1 1 97 97 PRO CB C 13 31.533 0.25 . 1 . . . . 97 PRO CB . 18147 1 443 . 1 1 98 98 GLU H H 1 7.748 0.025 . 1 . . . . 98 GLU H . 18147 1 444 . 1 1 98 98 GLU C C 13 175.767 0.25 . 1 . . . . 98 GLU C . 18147 1 445 . 1 1 98 98 GLU CA C 13 57.039 0.25 . 1 . . . . 98 GLU CA . 18147 1 446 . 1 1 98 98 GLU CB C 13 29.229 0.25 . 1 . . . . 98 GLU CB . 18147 1 447 . 1 1 98 98 GLU N N 15 119.793 0.25 . 1 . . . . 98 GLU N . 18147 1 448 . 1 1 99 99 LEU H H 1 8.458 0.025 . 1 . . . . 99 LEU H . 18147 1 449 . 1 1 99 99 LEU C C 13 176.866 0.25 . 1 . . . . 99 LEU C . 18147 1 450 . 1 1 99 99 LEU CA C 13 54.107 0.25 . 1 . . . . 99 LEU CA . 18147 1 451 . 1 1 99 99 LEU CB C 13 44.444 0.25 . 1 . . . . 99 LEU CB . 18147 1 452 . 1 1 99 99 LEU N N 15 122.812 0.25 . 1 . . . . 99 LEU N . 18147 1 453 . 1 1 100 100 THR H H 1 8.064 0.025 . 1 . . . . 100 THR H . 18147 1 454 . 1 1 100 100 THR C C 13 172.622 0.25 . 1 . . . . 100 THR C . 18147 1 455 . 1 1 100 100 THR CA C 13 61.792 0.25 . 1 . . . . 100 THR CA . 18147 1 456 . 1 1 100 100 THR CB C 13 71.052 0.25 . 1 . . . . 100 THR CB . 18147 1 457 . 1 1 100 100 THR N N 15 117.978 0.25 . 1 . . . . 100 THR N . 18147 1 458 . 1 1 101 101 PHE H H 1 8.509 0.025 . 1 . . . . 101 PHE H . 18147 1 459 . 1 1 101 101 PHE C C 13 174.453 0.25 . 1 . . . . 101 PHE C . 18147 1 460 . 1 1 101 101 PHE CA C 13 57.996 0.25 . 1 . . . . 101 PHE CA . 18147 1 461 . 1 1 101 101 PHE CB C 13 41.715 0.25 . 1 . . . . 101 PHE CB . 18147 1 462 . 1 1 101 101 PHE N N 15 123.995 0.25 . 1 . . . . 101 PHE N . 18147 1 463 . 1 1 102 102 PHE H H 1 9.080 0.025 . 1 . . . . 102 PHE H . 18147 1 464 . 1 1 102 102 PHE C C 13 174.440 0.25 . 1 . . . . 102 PHE C . 18147 1 465 . 1 1 102 102 PHE CA C 13 56.898 0.25 . 1 . . . . 102 PHE CA . 18147 1 466 . 1 1 102 102 PHE CB C 13 44.230 0.25 . 1 . . . . 102 PHE CB . 18147 1 467 . 1 1 102 102 PHE N N 15 119.546 0.25 . 1 . . . . 102 PHE N . 18147 1 468 . 1 1 103 103 TYR H H 1 9.006 0.025 . 1 . . . . 103 TYR H . 18147 1 469 . 1 1 103 103 TYR C C 13 174.369 0.25 . 1 . . . . 103 TYR C . 18147 1 470 . 1 1 103 103 TYR CA C 13 57.401 0.25 . 1 . . . . 103 TYR CA . 18147 1 471 . 1 1 103 103 TYR CB C 13 39.498 0.25 . 1 . . . . 103 TYR CB . 18147 1 472 . 1 1 103 103 TYR N N 15 122.653 0.25 . 1 . . . . 103 TYR N . 18147 1 473 . 1 1 104 104 ASP H H 1 8.565 0.025 . 1 . . . . 104 ASP H . 18147 1 474 . 1 1 104 104 ASP CA C 13 53.316 0.25 . 1 . . . . 104 ASP CA . 18147 1 475 . 1 1 104 104 ASP CB C 13 40.359 0.25 . 1 . . . . 104 ASP CB . 18147 1 476 . 1 1 104 104 ASP N N 15 127.116 0.25 . 1 . . . . 104 ASP N . 18147 1 477 . 1 1 105 105 ASN H H 1 7.982 0.025 . 1 . . . . 105 ASN H . 18147 1 478 . 1 1 105 105 ASN C C 13 175.947 0.25 . 1 . . . . 105 ASN C . 18147 1 479 . 1 1 105 105 ASN CA C 13 53.274 0.25 . 1 . . . . 105 ASN CA . 18147 1 480 . 1 1 105 105 ASN CB C 13 38.861 0.25 . 1 . . . . 105 ASN CB . 18147 1 481 . 1 1 105 105 ASN N N 15 121.887 0.25 . 1 . . . . 105 ASN N . 18147 1 482 . 1 1 106 106 SER H H 1 8.265 0.025 . 1 . . . . 106 SER H . 18147 1 483 . 1 1 106 106 SER C C 13 175.103 0.25 . 1 . . . . 106 SER C . 18147 1 484 . 1 1 106 106 SER CA C 13 60.163 0.25 . 1 . . . . 106 SER CA . 18147 1 485 . 1 1 106 106 SER CB C 13 63.737 0.25 . 1 . . . . 106 SER CB . 18147 1 486 . 1 1 106 106 SER N N 15 115.697 0.25 . 1 . . . . 106 SER N . 18147 1 487 . 1 1 107 107 LEU H H 1 7.946 0.025 . 1 . . . . 107 LEU H . 18147 1 488 . 1 1 107 107 LEU C C 13 177.883 0.25 . 1 . . . . 107 LEU C . 18147 1 489 . 1 1 107 107 LEU CA C 13 56.076 0.25 . 1 . . . . 107 LEU CA . 18147 1 490 . 1 1 107 107 LEU CB C 13 42.154 0.25 . 1 . . . . 107 LEU CB . 18147 1 491 . 1 1 107 107 LEU N N 15 123.013 0.25 . 1 . . . . 107 LEU N . 18147 1 492 . 1 1 108 108 VAL H H 1 7.825 0.025 . 1 . . . . 108 VAL H . 18147 1 493 . 1 1 108 108 VAL C C 13 176.822 0.25 . 1 . . . . 108 VAL C . 18147 1 494 . 1 1 108 108 VAL CA C 13 63.206 0.25 . 1 . . . . 108 VAL CA . 18147 1 495 . 1 1 108 108 VAL CB C 13 32.621 0.25 . 1 . . . . 108 VAL CB . 18147 1 496 . 1 1 108 108 VAL N N 15 119.584 0.25 . 1 . . . . 108 VAL N . 18147 1 497 . 1 1 109 109 GLU H H 1 8.302 0.025 . 1 . . . . 109 GLU H . 18147 1 498 . 1 1 109 109 GLU C C 13 177.178 0.25 . 1 . . . . 109 GLU C . 18147 1 499 . 1 1 109 109 GLU CA C 13 56.955 0.25 . 1 . . . . 109 GLU CA . 18147 1 500 . 1 1 109 109 GLU CB C 13 28.844 0.25 . 1 . . . . 109 GLU CB . 18147 1 501 . 1 1 109 109 GLU N N 15 122.683 0.25 . 1 . . . . 109 GLU N . 18147 1 502 . 1 1 110 110 GLY H H 1 8.268 0.025 . 1 . . . . 110 GLY H . 18147 1 503 . 1 1 110 110 GLY C C 13 174.625 0.25 . 1 . . . . 110 GLY C . 18147 1 504 . 1 1 110 110 GLY CA C 13 45.725 0.25 . 1 . . . . 110 GLY CA . 18147 1 505 . 1 1 110 110 GLY N N 15 108.832 0.25 . 1 . . . . 110 GLY N . 18147 1 506 . 1 1 111 111 MET H H 1 8.029 0.025 . 1 . . . . 111 MET H . 18147 1 507 . 1 1 111 111 MET CA C 13 56.018 0.25 . 1 . . . . 111 MET CA . 18147 1 508 . 1 1 111 111 MET CB C 13 30.753 0.25 . 1 . . . . 111 MET CB . 18147 1 509 . 1 1 111 111 MET N N 15 119.622 0.25 . 1 . . . . 111 MET N . 18147 1 510 . 1 1 112 112 ARG H H 1 7.979 0.025 . 1 . . . . 112 ARG H . 18147 1 511 . 1 1 112 112 ARG CA C 13 57.555 0.25 . 1 . . . . 112 ARG CA . 18147 1 512 . 1 1 112 112 ARG CB C 13 33.553 0.25 . 1 . . . . 112 ARG CB . 18147 1 513 . 1 1 112 112 ARG N N 15 126.550 0.25 . 1 . . . . 112 ARG N . 18147 1 514 . 1 1 113 113 MET CA C 13 58.698 0.25 . 1 . . . . 113 MET CA . 18147 1 515 . 1 1 114 114 SER H H 1 8.870 0.025 . 1 . . . . 114 SER H . 18147 1 516 . 1 1 114 114 SER C C 13 174.519 0.25 . 1 . . . . 114 SER C . 18147 1 517 . 1 1 114 114 SER CA C 13 58.883 0.25 . 1 . . . . 114 SER CA . 18147 1 518 . 1 1 114 114 SER CB C 13 64.073 0.25 . 1 . . . . 114 SER CB . 18147 1 519 . 1 1 114 114 SER N N 15 122.330 0.25 . 1 . . . . 114 SER N . 18147 1 520 . 1 1 115 115 ASN H H 1 8.368 0.025 . 1 . . . . 115 ASN H . 18147 1 521 . 1 1 115 115 ASN C C 13 175.163 0.25 . 1 . . . . 115 ASN C . 18147 1 522 . 1 1 115 115 ASN CA C 13 53.660 0.25 . 1 . . . . 115 ASN CA . 18147 1 523 . 1 1 115 115 ASN CB C 13 38.799 0.25 . 1 . . . . 115 ASN CB . 18147 1 524 . 1 1 115 115 ASN N N 15 120.234 0.25 . 1 . . . . 115 ASN N . 18147 1 525 . 1 1 116 116 LEU H H 1 8.041 0.025 . 1 . . . . 116 LEU H . 18147 1 526 . 1 1 116 116 LEU C C 13 177.468 0.25 . 1 . . . . 116 LEU C . 18147 1 527 . 1 1 116 116 LEU CA C 13 55.707 0.25 . 1 . . . . 116 LEU CA . 18147 1 528 . 1 1 116 116 LEU CB C 13 42.600 0.25 . 1 . . . . 116 LEU CB . 18147 1 529 . 1 1 116 116 LEU N N 15 121.697 0.25 . 1 . . . . 116 LEU N . 18147 1 530 . 1 1 117 117 VAL H H 1 8.055 0.025 . 1 . . . . 117 VAL H . 18147 1 531 . 1 1 117 117 VAL C C 13 176.534 0.25 . 1 . . . . 117 VAL C . 18147 1 532 . 1 1 117 117 VAL CA C 13 62.700 0.25 . 1 . . . . 117 VAL CA . 18147 1 533 . 1 1 117 117 VAL CB C 13 32.678 0.25 . 1 . . . . 117 VAL CB . 18147 1 534 . 1 1 117 117 VAL N N 15 120.722 0.25 . 1 . . . . 117 VAL N . 18147 1 535 . 1 1 118 118 THR H H 1 8.118 0.025 . 1 . . . . 118 THR H . 18147 1 536 . 1 1 118 118 THR C C 13 174.658 0.25 . 1 . . . . 118 THR C . 18147 1 537 . 1 1 118 118 THR CA C 13 62.096 0.25 . 1 . . . . 118 THR CA . 18147 1 538 . 1 1 118 118 THR CB C 13 69.930 0.25 . 1 . . . . 118 THR CB . 18147 1 539 . 1 1 118 118 THR N N 15 117.157 0.25 . 1 . . . . 118 THR N . 18147 1 540 . 1 1 119 119 SER H H 1 8.194 0.025 . 1 . . . . 119 SER H . 18147 1 541 . 1 1 119 119 SER C C 13 174.574 0.25 . 1 . . . . 119 SER C . 18147 1 542 . 1 1 119 119 SER CA C 13 58.577 0.25 . 1 . . . . 119 SER CA . 18147 1 543 . 1 1 119 119 SER CB C 13 64.047 0.25 . 1 . . . . 119 SER CB . 18147 1 544 . 1 1 119 119 SER N N 15 117.948 0.25 . 1 . . . . 119 SER N . 18147 1 545 . 1 1 120 120 VAL H H 1 8.064 0.025 . 1 . . . . 120 VAL H . 18147 1 546 . 1 1 120 120 VAL C C 13 176.244 0.25 . 1 . . . . 120 VAL C . 18147 1 547 . 1 1 120 120 VAL CA C 13 62.667 0.25 . 1 . . . . 120 VAL CA . 18147 1 548 . 1 1 120 120 VAL CB C 13 32.540 0.25 . 1 . . . . 120 VAL CB . 18147 1 549 . 1 1 120 120 VAL N N 15 121.869 0.25 . 1 . . . . 120 VAL N . 18147 1 550 . 1 1 121 121 VAL H H 1 8.076 0.025 . 1 . . . . 121 VAL H . 18147 1 551 . 1 1 121 121 VAL C C 13 176.999 0.25 . 1 . . . . 121 VAL C . 18147 1 552 . 1 1 121 121 VAL CA C 13 63.350 0.25 . 1 . . . . 121 VAL CA . 18147 1 553 . 1 1 121 121 VAL CB C 13 32.171 0.25 . 1 . . . . 121 VAL CB . 18147 1 554 . 1 1 121 121 VAL N N 15 123.932 0.25 . 1 . . . . 121 VAL N . 18147 1 555 . 1 1 122 122 LYS H H 1 8.473 0.025 . 1 . . . . 122 LYS H . 18147 1 556 . 1 1 122 122 LYS CA C 13 56.392 0.25 . 1 . . . . 122 LYS CA . 18147 1 557 . 1 1 122 122 LYS CB C 13 29.565 0.25 . 1 . . . . 122 LYS CB . 18147 1 558 . 1 1 122 122 LYS N N 15 120.748 0.25 . 1 . . . . 122 LYS N . 18147 1 559 . 1 1 123 123 HIS H H 1 8.374 0.025 . 1 . . . . 123 HIS H . 18147 1 560 . 1 1 123 123 HIS C C 13 174.468 0.25 . 1 . . . . 123 HIS C . 18147 1 561 . 1 1 123 123 HIS CA C 13 55.681 0.25 . 1 . . . . 123 HIS CA . 18147 1 562 . 1 1 123 123 HIS CB C 13 29.004 0.25 . 1 . . . . 123 HIS CB . 18147 1 563 . 1 1 123 123 HIS N N 15 125.037 0.25 . 1 . . . . 123 HIS N . 18147 1 564 . 1 1 124 124 ASP H H 1 8.465 0.025 . 1 . . . . 124 ASP H . 18147 1 565 . 1 1 124 124 ASP C C 13 176.071 0.25 . 1 . . . . 124 ASP C . 18147 1 566 . 1 1 124 124 ASP CA C 13 54.381 0.25 . 1 . . . . 124 ASP CA . 18147 1 567 . 1 1 124 124 ASP CB C 13 40.162 0.25 . 1 . . . . 124 ASP CB . 18147 1 568 . 1 1 124 124 ASP N N 15 121.185 0.25 . 1 . . . . 124 ASP N . 18147 1 569 . 1 1 125 125 GLU H H 1 8.419 0.025 . 1 . . . . 125 GLU H . 18147 1 570 . 1 1 125 125 GLU C C 13 176.451 0.25 . 1 . . . . 125 GLU C . 18147 1 571 . 1 1 125 125 GLU CA C 13 56.669 0.25 . 1 . . . . 125 GLU CA . 18147 1 572 . 1 1 125 125 GLU CB C 13 29.285 0.25 . 1 . . . . 125 GLU CB . 18147 1 573 . 1 1 125 125 GLU N N 15 120.923 0.25 . 1 . . . . 125 GLU N . 18147 1 574 . 1 1 126 126 GLU H H 1 8.276 0.025 . 1 . . . . 126 GLU H . 18147 1 575 . 1 1 126 126 GLU CA C 13 56.636 0.25 . 1 . . . . 126 GLU CA . 18147 1 576 . 1 1 126 126 GLU CB C 13 29.268 0.25 . 1 . . . . 126 GLU CB . 18147 1 577 . 1 1 126 126 GLU N N 15 121.031 0.25 . 1 . . . . 126 GLU N . 18147 1 578 . 1 1 127 127 ARG H H 1 8.125 0.025 . 1 . . . . 127 ARG H . 18147 1 579 . 1 1 127 127 ARG C C 13 176.289 0.25 . 1 . . . . 127 ARG C . 18147 1 580 . 1 1 127 127 ARG CA C 13 56.429 0.25 . 1 . . . . 127 ARG CA . 18147 1 581 . 1 1 127 127 ARG CB C 13 29.190 0.25 . 1 . . . . 127 ARG CB . 18147 1 582 . 1 1 127 127 ARG N N 15 120.332 0.25 . 1 . . . . 127 ARG N . 18147 1 583 . 1 1 128 128 ARG H H 1 8.214 0.025 . 1 . . . . 128 ARG H . 18147 1 584 . 1 1 128 128 ARG C C 13 176.238 0.25 . 1 . . . . 128 ARG C . 18147 1 585 . 1 1 128 128 ARG CA C 13 56.278 0.25 . 1 . . . . 128 ARG CA . 18147 1 586 . 1 1 128 128 ARG CB C 13 30.799 0.25 . 1 . . . . 128 ARG CB . 18147 1 587 . 1 1 128 128 ARG N N 15 121.849 0.25 . 1 . . . . 128 ARG N . 18147 1 588 . 1 1 129 129 VAL H H 1 8.128 0.025 . 1 . . . . 129 VAL H . 18147 1 589 . 1 1 129 129 VAL C C 13 175.631 0.25 . 1 . . . . 129 VAL C . 18147 1 590 . 1 1 129 129 VAL CA C 13 62.299 0.25 . 1 . . . . 129 VAL CA . 18147 1 591 . 1 1 129 129 VAL CB C 13 32.835 0.25 . 1 . . . . 129 VAL CB . 18147 1 592 . 1 1 129 129 VAL N N 15 121.248 0.25 . 1 . . . . 129 VAL N . 18147 1 593 . 1 1 130 130 ASN H H 1 8.512 0.025 . 1 . . . . 130 ASN H . 18147 1 594 . 1 1 130 130 ASN CA C 13 51.202 0.25 . 1 . . . . 130 ASN CA . 18147 1 595 . 1 1 130 130 ASN CB C 13 39.044 0.25 . 1 . . . . 130 ASN CB . 18147 1 596 . 1 1 130 130 ASN N N 15 123.534 0.25 . 1 . . . . 130 ASN N . 18147 1 597 . 1 1 131 131 PRO C C 13 176.986 0.25 . 1 . . . . 131 PRO C . 18147 1 598 . 1 1 131 131 PRO CA C 13 63.909 0.25 . 1 . . . . 131 PRO CA . 18147 1 599 . 1 1 131 131 PRO CB C 13 32.096 0.25 . 1 . . . . 131 PRO CB . 18147 1 600 . 1 1 132 132 ASP H H 1 8.280 0.025 . 1 . . . . 132 ASP H . 18147 1 601 . 1 1 132 132 ASP C C 13 175.823 0.25 . 1 . . . . 132 ASP C . 18147 1 602 . 1 1 132 132 ASP CA C 13 54.216 0.25 . 1 . . . . 132 ASP CA . 18147 1 603 . 1 1 132 132 ASP CB C 13 39.791 0.25 . 1 . . . . 132 ASP CB . 18147 1 604 . 1 1 132 132 ASP N N 15 118.318 0.25 . 1 . . . . 132 ASP N . 18147 1 605 . 1 1 133 133 ASP H H 1 8.119 0.025 . 1 . . . . 133 ASP H . 18147 1 606 . 1 1 133 133 ASP C C 13 176.243 0.25 . 1 . . . . 133 ASP C . 18147 1 607 . 1 1 133 133 ASP CA C 13 54.025 0.25 . 1 . . . . 133 ASP CA . 18147 1 608 . 1 1 133 133 ASP CB C 13 39.866 0.25 . 1 . . . . 133 ASP CB . 18147 1 609 . 1 1 133 133 ASP N N 15 120.281 0.25 . 1 . . . . 133 ASP N . 18147 1 610 . 1 1 134 134 SER H H 1 8.188 0.025 . 1 . . . . 134 SER H . 18147 1 611 . 1 1 134 134 SER C C 13 175.066 0.25 . 1 . . . . 134 SER C . 18147 1 612 . 1 1 134 134 SER CA C 13 59.233 0.25 . 1 . . . . 134 SER CA . 18147 1 613 . 1 1 134 134 SER CB C 13 63.946 0.25 . 1 . . . . 134 SER CB . 18147 1 614 . 1 1 134 134 SER N N 15 116.099 0.25 . 1 . . . . 134 SER N . 18147 1 615 . 1 1 135 135 LYS H H 1 8.172 0.025 . 1 . . . . 135 LYS H . 18147 1 616 . 1 1 135 135 LYS CA C 13 56.782 0.25 . 1 . . . . 135 LYS CA . 18147 1 617 . 1 1 135 135 LYS CB C 13 32.737 0.25 . 1 . . . . 135 LYS CB . 18147 1 618 . 1 1 135 135 LYS N N 15 122.275 0.25 . 1 . . . . 135 LYS N . 18147 1 619 . 1 1 136 136 GLU H H 1 8.652 0.025 . 1 . . . . 136 GLU H . 18147 1 620 . 1 1 136 136 GLU C C 13 176.178 0.25 . 1 . . . . 136 GLU C . 18147 1 621 . 1 1 136 136 GLU CA C 13 56.741 0.25 . 1 . . . . 136 GLU CA . 18147 1 622 . 1 1 136 136 GLU CB C 13 29.346 0.25 . 1 . . . . 136 GLU CB . 18147 1 623 . 1 1 136 136 GLU N N 15 117.576 0.25 . 1 . . . . 136 GLU N . 18147 1 624 . 1 1 137 137 ASP H H 1 8.139 0.025 . 1 . . . . 137 ASP H . 18147 1 625 . 1 1 137 137 ASP C C 13 176.482 0.25 . 1 . . . . 137 ASP C . 18147 1 626 . 1 1 137 137 ASP CA C 13 53.929 0.25 . 1 . . . . 137 ASP CA . 18147 1 627 . 1 1 137 137 ASP CB C 13 40.068 0.25 . 1 . . . . 137 ASP CB . 18147 1 628 . 1 1 137 137 ASP N N 15 120.040 0.25 . 1 . . . . 137 ASP N . 18147 1 629 . 1 1 138 138 GLY H H 1 8.227 0.025 . 1 . . . . 138 GLY H . 18147 1 630 . 1 1 138 138 GLY C C 13 174.697 0.25 . 1 . . . . 138 GLY C . 18147 1 631 . 1 1 138 138 GLY CA C 13 45.683 0.25 . 1 . . . . 138 GLY CA . 18147 1 632 . 1 1 138 138 GLY N N 15 109.189 0.25 . 1 . . . . 138 GLY N . 18147 1 633 . 1 1 139 139 SER H H 1 8.159 0.025 . 1 . . . . 139 SER H . 18147 1 634 . 1 1 139 139 SER C C 13 174.654 0.25 . 1 . . . . 139 SER C . 18147 1 635 . 1 1 139 139 SER CA C 13 59.079 0.25 . 1 . . . . 139 SER CA . 18147 1 636 . 1 1 139 139 SER CB C 13 63.822 0.25 . 1 . . . . 139 SER CB . 18147 1 637 . 1 1 139 139 SER N N 15 116.057 0.25 . 1 . . . . 139 SER N . 18147 1 638 . 1 1 140 140 TRP H H 1 7.953 0.025 . 1 . . . . 140 TRP H . 18147 1 639 . 1 1 140 140 TRP C C 13 176.351 0.25 . 1 . . . . 140 TRP C . 18147 1 640 . 1 1 140 140 TRP CA C 13 57.419 0.25 . 1 . . . . 140 TRP CA . 18147 1 641 . 1 1 140 140 TRP CB C 13 29.455 0.25 . 1 . . . . 140 TRP CB . 18147 1 642 . 1 1 140 140 TRP N N 15 121.993 0.25 . 1 . . . . 140 TRP N . 18147 1 643 . 1 1 141 141 SER H H 1 7.909 0.025 . 1 . . . . 141 SER H . 18147 1 644 . 1 1 141 141 SER C C 13 173.832 0.25 . 1 . . . . 141 SER C . 18147 1 645 . 1 1 141 141 SER CA C 13 58.453 0.25 . 1 . . . . 141 SER CA . 18147 1 646 . 1 1 141 141 SER CB C 13 63.933 0.25 . 1 . . . . 141 SER CB . 18147 1 647 . 1 1 141 141 SER N N 15 116.420 0.25 . 1 . . . . 141 SER N . 18147 1 648 . 1 1 142 142 HIS H H 1 8.089 0.025 . 1 . . . . 142 HIS H . 18147 1 649 . 1 1 142 142 HIS CA C 13 53.464 0.25 . 1 . . . . 142 HIS CA . 18147 1 650 . 1 1 142 142 HIS CB C 13 28.601 0.25 . 1 . . . . 142 HIS CB . 18147 1 651 . 1 1 142 142 HIS N N 15 119.956 0.25 . 1 . . . . 142 HIS N . 18147 1 652 . 1 1 144 144 GLN H H 1 8.142 0.025 . 1 . . . . 144 GLN H . 18147 1 653 . 1 1 144 144 GLN CA C 13 57.449 0.25 . 1 . . . . 144 GLN CA . 18147 1 654 . 1 1 144 144 GLN N N 15 117.496 0.25 . 1 . . . . 144 GLN N . 18147 1 655 . 1 1 145 145 PHE H H 1 8.192 0.025 . 1 . . . . 145 PHE H . 18147 1 656 . 1 1 145 145 PHE CA C 13 56.072 0.25 . 1 . . . . 145 PHE CA . 18147 1 657 . 1 1 145 145 PHE CB C 13 39.793 0.25 . 1 . . . . 145 PHE CB . 18147 1 658 . 1 1 145 145 PHE N N 15 122.121 0.25 . 1 . . . . 145 PHE N . 18147 1 659 . 1 1 146 146 GLU C C 13 174.431 0.25 . 1 . . . . 146 GLU C . 18147 1 660 . 1 1 146 146 GLU CA C 13 55.320 0.25 . 1 . . . . 146 GLU CA . 18147 1 661 . 1 1 146 146 GLU CB C 13 28.864 0.25 . 1 . . . . 146 GLU CB . 18147 1 662 . 1 1 147 147 LYS H H 1 8.343 0.025 . 1 . . . . 147 LYS H . 18147 1 663 . 1 1 147 147 LYS CA C 13 55.320 0.25 . 1 . . . . 147 LYS CA . 18147 1 664 . 1 1 147 147 LYS CB C 13 33.266 0.25 . 1 . . . . 147 LYS CB . 18147 1 665 . 1 1 147 147 LYS N N 15 122.106 0.25 . 1 . . . . 147 LYS N . 18147 1 stop_ save_