data_6252 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6252 _Entry.Title ; 1H, 13C, 15N Resonance Assignments of the EscJ Protein, a Structural Component of the Type III Secretion System of Enteropathogenic E. coli (EPEC) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-06-25 _Entry.Accession_date 2004-06-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Sunil Prasannan . . . 6252 2 Peter Simpson . J. . 6252 3 Rebecca Wilson . K. . 6252 4 Gad Frankel . . . 6252 5 Stephen Matthews . J. . 6252 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6252 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 291 6252 '13C chemical shifts' 446 6252 '15N chemical shifts' 145 6252 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 . . 2004-12-15 . update BMRB 'updated citation' 6252 2 . . 2004-08-03 . original author 'Original Release' 6252 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6252 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C, 15N Resonance Assignments of the EscJ Protein, a Structural Component of the Type III Secretion System of Enteropathogenic E. coli (EPEC) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 387 _Citation.Page_last 388 _Citation.Year 2004 _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 Sunil Prasannan . . . 6252 1 2 Peter Simpson . J. . 6252 1 3 Rebecca Wilson . K. . 6252 1 4 Valerie Crepin . F. . 6252 1 5 Gad Frankel . . . 6252 1 6 Stephen Matthews . J. . 6252 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID EscJ 6252 1 NMR 6252 1 'Type III Secretion' 6252 1 'Triple Resonance' 6252 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_EscJ _Assembly.Sf_category assembly _Assembly.Sf_framecode system_EscJ _Assembly.Entry_ID 6252 _Assembly.ID 1 _Assembly.Name 'EscJ 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 6252 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 'EscJ monomer' 1 $EscJ . . . native . . . . . 6252 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'EscJ protein' system 6252 1 EscJ abbreviation 6252 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Periplasmic component of Type III Secretion System of Enteropathogenic E. coli' 6252 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_EscJ _Entity.Sf_category entity _Entity.Sf_framecode EscJ _Entity.Entry_ID 6252 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Type III Secretion System component EscJ' _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 ; KEQLYTGLTEKEANQMQALL LSNDVNVSKEMDKSGNMTLS VEKEDFVRAITILNNNGFPK KKFADIEVIFPPSQLVASPS QENAKINYLKEQDIERLLSK IPGVIDCSVSLNVNNNESQP SSAAVLVISSPEVNLAPSVI QIKNLVKNSVDDLKLENISV VIKSSSGQDG ; _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 18544 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; Sequence and M.W. minus linker and His Tag with sequence MHHHHHHSSGLVMPRGSHM ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1YJ7 . "Crystal Structure Of Enteropathogenic E.Coli (Epec) Type Iii Secretion System Protein Escj" . . . . . 100.00 171 98.24 98.24 2.20e-111 . . . . 6252 1 2 no DBJ BAB37996 . "type III secretion system EscJ protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 190 100.00 100.00 7.71e-114 . . . . 6252 1 3 no DBJ BAG66748 . "T3SS structure protein EscJ [Escherichia coli O111:H-]" . . . . . 100.00 190 98.82 100.00 2.20e-112 . . . . 6252 1 4 no DBJ BAI28408 . "T3SS structure protein EscJ [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 190 98.82 100.00 2.20e-112 . . . . 6252 1 5 no DBJ BAI32346 . "T3SS structure protein EscJ [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 190 98.82 100.00 2.20e-112 . . . . 6252 1 6 no DBJ BAI37542 . "T3SS structure protein EscJ [Escherichia coli O111:H- str. 11128]" . . . . . 100.00 190 100.00 100.00 7.71e-114 . . . . 6252 1 7 no EMBL CAC81857 . "EscJ protein [Escherichia coli]" . . . . . 100.00 190 98.82 100.00 2.20e-112 . . . . 6252 1 8 no EMBL CAG17525 . "EscJ protein [Escherichia coli]" . . . . . 100.00 190 99.41 100.00 5.10e-113 . . . . 6252 1 9 no EMBL CAI43879 . "EscJ protein [Escherichia coli]" . . . . . 100.00 190 98.82 100.00 2.20e-112 . . . . 6252 1 10 no EMBL CAR47976 . "EscJ protein [Escherichia coli]" . . . . . 100.00 190 98.82 100.00 2.20e-112 . . . . 6252 1 11 no EMBL CAR48046 . "EscJ protein [Escherichia coli]" . . . . . 100.00 190 98.82 100.00 2.20e-112 . . . . 6252 1 12 no GB AAC31518 . "L0039 [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 190 100.00 100.00 7.71e-114 . . . . 6252 1 13 no GB AAC38379 . "EscJ [Escherichia coli]" . . . . . 100.00 190 100.00 100.00 7.71e-114 . . . . 6252 1 14 no GB AAG58837 . "escJ [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 190 100.00 100.00 7.71e-114 . . . . 6252 1 15 no GB AAK26710 . "EscJ [Escherichia coli]" . . . . . 100.00 190 98.82 100.00 2.20e-112 . . . . 6252 1 16 no GB AAL30751 . "putative EscJ protein [Escherichia coli]" . . . . . 100.00 190 98.24 100.00 1.11e-111 . . . . 6252 1 17 no REF NP_290273 . "hypothetical protein Z5124 [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 190 100.00 100.00 7.71e-114 . . . . 6252 1 18 no REF NP_312600 . "EscJ [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 190 100.00 100.00 7.71e-114 . . . . 6252 1 19 no REF WP_000408508 . "hypothetical protein, partial [Escherichia coli]" . . . . . 59.41 101 100.00 100.00 4.95e-60 . . . . 6252 1 20 no REF WP_000716186 . "EscJ [Escherichia coli]" . . . . . 100.00 190 99.41 100.00 5.10e-113 . . . . 6252 1 21 no REF WP_000716187 . "EscJ [Escherichia coli]" . . . . . 100.00 190 99.41 99.41 2.56e-113 . . . . 6252 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Type III Secretion System component EscJ' common 6252 1 EscJ abbreviation 6252 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 . LYS . 6252 1 2 . GLU . 6252 1 3 . GLN . 6252 1 4 . LEU . 6252 1 5 . TYR . 6252 1 6 . THR . 6252 1 7 . GLY . 6252 1 8 . LEU . 6252 1 9 . THR . 6252 1 10 . GLU . 6252 1 11 . LYS . 6252 1 12 . GLU . 6252 1 13 . ALA . 6252 1 14 . ASN . 6252 1 15 . GLN . 6252 1 16 . MET . 6252 1 17 . GLN . 6252 1 18 . ALA . 6252 1 19 . LEU . 6252 1 20 . LEU . 6252 1 21 . LEU . 6252 1 22 . SER . 6252 1 23 . ASN . 6252 1 24 . ASP . 6252 1 25 . VAL . 6252 1 26 . ASN . 6252 1 27 . VAL . 6252 1 28 . SER . 6252 1 29 . LYS . 6252 1 30 . GLU . 6252 1 31 . MET . 6252 1 32 . ASP . 6252 1 33 . LYS . 6252 1 34 . SER . 6252 1 35 . GLY . 6252 1 36 . ASN . 6252 1 37 . MET . 6252 1 38 . THR . 6252 1 39 . LEU . 6252 1 40 . SER . 6252 1 41 . VAL . 6252 1 42 . GLU . 6252 1 43 . LYS . 6252 1 44 . GLU . 6252 1 45 . ASP . 6252 1 46 . PHE . 6252 1 47 . VAL . 6252 1 48 . ARG . 6252 1 49 . ALA . 6252 1 50 . ILE . 6252 1 51 . THR . 6252 1 52 . ILE . 6252 1 53 . LEU . 6252 1 54 . ASN . 6252 1 55 . ASN . 6252 1 56 . ASN . 6252 1 57 . GLY . 6252 1 58 . PHE . 6252 1 59 . PRO . 6252 1 60 . LYS . 6252 1 61 . LYS . 6252 1 62 . LYS . 6252 1 63 . PHE . 6252 1 64 . ALA . 6252 1 65 . ASP . 6252 1 66 . ILE . 6252 1 67 . GLU . 6252 1 68 . VAL . 6252 1 69 . ILE . 6252 1 70 . PHE . 6252 1 71 . PRO . 6252 1 72 . PRO . 6252 1 73 . SER . 6252 1 74 . GLN . 6252 1 75 . LEU . 6252 1 76 . VAL . 6252 1 77 . ALA . 6252 1 78 . SER . 6252 1 79 . PRO . 6252 1 80 . SER . 6252 1 81 . GLN . 6252 1 82 . GLU . 6252 1 83 . ASN . 6252 1 84 . ALA . 6252 1 85 . LYS . 6252 1 86 . ILE . 6252 1 87 . ASN . 6252 1 88 . TYR . 6252 1 89 . LEU . 6252 1 90 . LYS . 6252 1 91 . GLU . 6252 1 92 . GLN . 6252 1 93 . ASP . 6252 1 94 . ILE . 6252 1 95 . GLU . 6252 1 96 . ARG . 6252 1 97 . LEU . 6252 1 98 . LEU . 6252 1 99 . SER . 6252 1 100 . LYS . 6252 1 101 . ILE . 6252 1 102 . PRO . 6252 1 103 . GLY . 6252 1 104 . VAL . 6252 1 105 . ILE . 6252 1 106 . ASP . 6252 1 107 . CYS . 6252 1 108 . SER . 6252 1 109 . VAL . 6252 1 110 . SER . 6252 1 111 . LEU . 6252 1 112 . ASN . 6252 1 113 . VAL . 6252 1 114 . ASN . 6252 1 115 . ASN . 6252 1 116 . ASN . 6252 1 117 . GLU . 6252 1 118 . SER . 6252 1 119 . GLN . 6252 1 120 . PRO . 6252 1 121 . SER . 6252 1 122 . SER . 6252 1 123 . ALA . 6252 1 124 . ALA . 6252 1 125 . VAL . 6252 1 126 . LEU . 6252 1 127 . VAL . 6252 1 128 . ILE . 6252 1 129 . SER . 6252 1 130 . SER . 6252 1 131 . PRO . 6252 1 132 . GLU . 6252 1 133 . VAL . 6252 1 134 . ASN . 6252 1 135 . LEU . 6252 1 136 . ALA . 6252 1 137 . PRO . 6252 1 138 . SER . 6252 1 139 . VAL . 6252 1 140 . ILE . 6252 1 141 . GLN . 6252 1 142 . ILE . 6252 1 143 . LYS . 6252 1 144 . ASN . 6252 1 145 . LEU . 6252 1 146 . VAL . 6252 1 147 . LYS . 6252 1 148 . ASN . 6252 1 149 . SER . 6252 1 150 . VAL . 6252 1 151 . ASP . 6252 1 152 . ASP . 6252 1 153 . LEU . 6252 1 154 . LYS . 6252 1 155 . LEU . 6252 1 156 . GLU . 6252 1 157 . ASN . 6252 1 158 . ILE . 6252 1 159 . SER . 6252 1 160 . VAL . 6252 1 161 . VAL . 6252 1 162 . ILE . 6252 1 163 . LYS . 6252 1 164 . SER . 6252 1 165 . SER . 6252 1 166 . SER . 6252 1 167 . GLY . 6252 1 168 . GLN . 6252 1 169 . ASP . 6252 1 170 . GLY . 6252 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 . LYS 1 1 6252 1 . GLU 2 2 6252 1 . GLN 3 3 6252 1 . LEU 4 4 6252 1 . TYR 5 5 6252 1 . THR 6 6 6252 1 . GLY 7 7 6252 1 . LEU 8 8 6252 1 . THR 9 9 6252 1 . GLU 10 10 6252 1 . LYS 11 11 6252 1 . GLU 12 12 6252 1 . ALA 13 13 6252 1 . ASN 14 14 6252 1 . GLN 15 15 6252 1 . MET 16 16 6252 1 . GLN 17 17 6252 1 . ALA 18 18 6252 1 . LEU 19 19 6252 1 . LEU 20 20 6252 1 . LEU 21 21 6252 1 . SER 22 22 6252 1 . ASN 23 23 6252 1 . ASP 24 24 6252 1 . VAL 25 25 6252 1 . ASN 26 26 6252 1 . VAL 27 27 6252 1 . SER 28 28 6252 1 . LYS 29 29 6252 1 . GLU 30 30 6252 1 . MET 31 31 6252 1 . ASP 32 32 6252 1 . LYS 33 33 6252 1 . SER 34 34 6252 1 . GLY 35 35 6252 1 . ASN 36 36 6252 1 . MET 37 37 6252 1 . THR 38 38 6252 1 . LEU 39 39 6252 1 . SER 40 40 6252 1 . VAL 41 41 6252 1 . GLU 42 42 6252 1 . LYS 43 43 6252 1 . GLU 44 44 6252 1 . ASP 45 45 6252 1 . PHE 46 46 6252 1 . VAL 47 47 6252 1 . ARG 48 48 6252 1 . ALA 49 49 6252 1 . ILE 50 50 6252 1 . THR 51 51 6252 1 . ILE 52 52 6252 1 . LEU 53 53 6252 1 . ASN 54 54 6252 1 . ASN 55 55 6252 1 . ASN 56 56 6252 1 . GLY 57 57 6252 1 . PHE 58 58 6252 1 . PRO 59 59 6252 1 . LYS 60 60 6252 1 . LYS 61 61 6252 1 . LYS 62 62 6252 1 . PHE 63 63 6252 1 . ALA 64 64 6252 1 . ASP 65 65 6252 1 . ILE 66 66 6252 1 . GLU 67 67 6252 1 . VAL 68 68 6252 1 . ILE 69 69 6252 1 . PHE 70 70 6252 1 . PRO 71 71 6252 1 . PRO 72 72 6252 1 . SER 73 73 6252 1 . GLN 74 74 6252 1 . LEU 75 75 6252 1 . VAL 76 76 6252 1 . ALA 77 77 6252 1 . SER 78 78 6252 1 . PRO 79 79 6252 1 . SER 80 80 6252 1 . GLN 81 81 6252 1 . GLU 82 82 6252 1 . ASN 83 83 6252 1 . ALA 84 84 6252 1 . LYS 85 85 6252 1 . ILE 86 86 6252 1 . ASN 87 87 6252 1 . TYR 88 88 6252 1 . LEU 89 89 6252 1 . LYS 90 90 6252 1 . GLU 91 91 6252 1 . GLN 92 92 6252 1 . ASP 93 93 6252 1 . ILE 94 94 6252 1 . GLU 95 95 6252 1 . ARG 96 96 6252 1 . LEU 97 97 6252 1 . LEU 98 98 6252 1 . SER 99 99 6252 1 . LYS 100 100 6252 1 . ILE 101 101 6252 1 . PRO 102 102 6252 1 . GLY 103 103 6252 1 . VAL 104 104 6252 1 . ILE 105 105 6252 1 . ASP 106 106 6252 1 . CYS 107 107 6252 1 . SER 108 108 6252 1 . VAL 109 109 6252 1 . SER 110 110 6252 1 . LEU 111 111 6252 1 . ASN 112 112 6252 1 . VAL 113 113 6252 1 . ASN 114 114 6252 1 . ASN 115 115 6252 1 . ASN 116 116 6252 1 . GLU 117 117 6252 1 . SER 118 118 6252 1 . GLN 119 119 6252 1 . PRO 120 120 6252 1 . SER 121 121 6252 1 . SER 122 122 6252 1 . ALA 123 123 6252 1 . ALA 124 124 6252 1 . VAL 125 125 6252 1 . LEU 126 126 6252 1 . VAL 127 127 6252 1 . ILE 128 128 6252 1 . SER 129 129 6252 1 . SER 130 130 6252 1 . PRO 131 131 6252 1 . GLU 132 132 6252 1 . VAL 133 133 6252 1 . ASN 134 134 6252 1 . LEU 135 135 6252 1 . ALA 136 136 6252 1 . PRO 137 137 6252 1 . SER 138 138 6252 1 . VAL 139 139 6252 1 . ILE 140 140 6252 1 . GLN 141 141 6252 1 . ILE 142 142 6252 1 . LYS 143 143 6252 1 . ASN 144 144 6252 1 . LEU 145 145 6252 1 . VAL 146 146 6252 1 . LYS 147 147 6252 1 . ASN 148 148 6252 1 . SER 149 149 6252 1 . VAL 150 150 6252 1 . ASP 151 151 6252 1 . ASP 152 152 6252 1 . LEU 153 153 6252 1 . LYS 154 154 6252 1 . LEU 155 155 6252 1 . GLU 156 156 6252 1 . ASN 157 157 6252 1 . ILE 158 158 6252 1 . SER 159 159 6252 1 . VAL 160 160 6252 1 . VAL 161 161 6252 1 . ILE 162 162 6252 1 . LYS 163 163 6252 1 . SER 164 164 6252 1 . SER 165 165 6252 1 . SER 166 166 6252 1 . GLY 167 167 6252 1 . GLN 168 168 6252 1 . ASP 169 169 6252 1 . GLY 170 170 6252 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 6252 _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 $EscJ . 562 . . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli O127:H6 . . . . . . . . . . . periplasm . . . escJ . . . . 6252 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 6252 _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 $EscJ . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . 'grown in BL21 DE3, plasmid pET28a - His-Tag' . . 6252 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Sample.Sf_category sample _Sample.Sf_framecode Sample_1 _Sample.Entry_ID 6252 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Type III Secretion System component EscJ' '[U-13C; U-15N]' . . 1 $EscJ . . . 0.25 . mM . . . . 6252 1 2 'sodium chloride' . . . . . . . 30 . . mM . . . . 6252 1 3 Imidazole . . . . . . . 50 . . mM . . . . 6252 1 4 'sodium phosphate' . . . . . . . 50 . . mM . . . . 6252 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6252 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Type III Secretion System component EscJ' '[U-13C; U-15N]' . . 1 $EscJ . . . 0.25 . mM . . . . 6252 2 2 'sodium chloride' . . . . . . . 30 . . mM . . . . 6252 2 3 Imidazole . . . . . . . 30 . . mM . . . . 6252 2 4 'sodium phosphate' . . . . . . . 50 . . mM . . . . 6252 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6252 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Type III Secretion System component EscJ' '[U-15N]; [13C]-Val, Ile, (non-backbone) Leu' . . 1 $EscJ . . . 0.25 . mM . . . . 6252 3 2 'sodium chloride' . . . . . . . 30 . . mM . . . . 6252 3 3 Imidazole . . . . . . . 50 . . mM . . . . 6252 3 4 'sodium phosphate' . . . . . . . 50 . . mM . . . . 6252 3 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6252 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.2 0.1 na 6252 1 temperature 303 1 K 6252 1 stop_ save_ ############################ # Computer software used # ############################ save_XWIN-NMR _Software.Sf_category software _Software.Sf_framecode XWIN-NMR _Software.Entry_ID 6252 _Software.ID 1 _Software.Name XWIN-NMR _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectral Processing' 6252 1 stop_ save_ save_AURELIA _Software.Sf_category software _Software.Sf_framecode AURELIA _Software.Entry_ID 6252 _Software.ID 2 _Software.Name AURELIA _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Peak-picking 6252 2 'Sequential Assigment' 6252 2 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 6252 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6252 _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 Bruker DRX . 500 . . . 6252 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 6252 _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 HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6252 1 2 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6252 1 3 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6252 1 4 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6252 1 5 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6252 1 6 HNCB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6252 1 7 HN(CO)CACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6252 1 8 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6252 1 9 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6252 1 10 HBHA(CBCACO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6252 1 11 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6252 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 6252 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'z-shielded gradient triple resonance cryoprobe' 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 6252 _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 'z-shielded gradient triple resonance cryoprobe' 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 6252 _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 'z-shielded gradient triple resonance cryoprobe' 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 6252 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'z-shielded gradient triple resonance cryoprobe' 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 6252 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCA(CO)NH _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 'z-shielded gradient triple resonance cryoprobe' 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 6252 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCB _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 'z-shielded gradient triple resonance cryoprobe' 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 6252 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HN(CO)CACB _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 'z-shielded gradient triple resonance cryoprobe' save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6252 _NMR_spec_expt.ID 8 _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 'z-shielded gradient triple resonance cryoprobe' save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6252 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'z-shielded gradient triple resonance cryoprobe' save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6252 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HBHA(CBCACO)NH _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 'z-shielded gradient triple resonance cryoprobe' save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 6252 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'z-shielded gradient triple resonance cryoprobe' 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 6252 _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 TSP 'methyl protons' . . . . ppm 0 internal direct 1.000000000 internal cylindrical parallel . . . . . . 6252 1 N 15 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 internal cylindrical parallel . . . . . . 6252 1 C 13 TSP 'methyl protons' . . . . ppm 0 internal indirect 0.25144953 internal cylindrical parallel . . . . . . 6252 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode set_1 _Assigned_chem_shift_list.Entry_ID 6252 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_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 HSQC . . . 6252 1 2 HNCA . . . 6252 1 3 HN(CO)CA . . . 6252 1 4 HNCACB . . . 6252 1 5 CBCA(CO)NH . . . 6252 1 6 HNCB . . . 6252 1 7 HN(CO)CACB . . . 6252 1 8 HN(CA)CO . . . 6252 1 9 HNCO . . . 6252 1 10 HBHA(CBCACO)NH . . . 6252 1 11 HCCH-TOCSY . . . 6252 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 LYS H H 1 8.19 0.01 . 1 . . . . . . . . 6252 1 2 . 1 1 1 1 LYS N N 15 121.41 0.24 . 1 . . . . . . . . 6252 1 3 . 1 1 1 1 LYS HA H 1 4.33 0.01 . 1 . . . . . . . . 6252 1 4 . 1 1 1 1 LYS CA C 13 55.62 0.01 . 1 . . . . . . . . 6252 1 5 . 1 1 1 1 LYS CB C 13 34.37 0.01 . 1 . . . . . . . . 6252 1 6 . 1 1 1 1 LYS C C 13 175.66 0.01 . 1 . . . . . . . . 6252 1 7 . 1 1 2 2 GLU H H 1 8.94 0.01 . 1 . . . . . . . . 6252 1 8 . 1 1 2 2 GLU N N 15 120.93 0.24 . 1 . . . . . . . . 6252 1 9 . 1 1 2 2 GLU HA H 1 4.34 0.01 . 1 . . . . . . . . 6252 1 10 . 1 1 2 2 GLU CA C 13 54.32 0.01 . 1 . . . . . . . . 6252 1 11 . 1 1 2 2 GLU CB C 13 31.79 0.01 . 1 . . . . . . . . 6252 1 12 . 1 1 2 2 GLU C C 13 175.72 0.01 . 1 . . . . . . . . 6252 1 13 . 1 1 3 3 GLN H H 1 8.62 0.01 . 5 . . . . . . . . 6252 1 14 . 1 1 3 3 GLN N N 15 123.54 0.24 . 5 . . . . . . . . 6252 1 15 . 1 1 3 3 GLN HA H 1 4.09 0.01 . 1 . . . . . . . . 6252 1 16 . 1 1 3 3 GLN CA C 13 56.81 0.01 . 1 . . . . . . . . 6252 1 17 . 1 1 3 3 GLN CB C 13 29.62 0.01 . 1 . . . . . . . . 6252 1 18 . 1 1 3 3 GLN C C 13 175.35 0.01 . 1 . . . . . . . . 6252 1 19 . 1 1 4 4 LEU H H 1 9.17 0.01 . 1 . . . . . . . . 6252 1 20 . 1 1 4 4 LEU N N 15 125.68 0.24 . 1 . . . . . . . . 6252 1 21 . 1 1 4 4 LEU HA H 1 4.19 0.01 . 1 . . . . . . . . 6252 1 22 . 1 1 4 4 LEU CA C 13 55.57 0.01 . 1 . . . . . . . . 6252 1 23 . 1 1 4 4 LEU CB C 13 43.58 0.01 . 1 . . . . . . . . 6252 1 24 . 1 1 4 4 LEU C C 13 174.38 0.01 . 1 . . . . . . . . 6252 1 25 . 1 1 5 5 TYR H H 1 6.90 0.01 . 1 . . . . . . . . 6252 1 26 . 1 1 5 5 TYR N N 15 110.03 0.24 . 1 . . . . . . . . 6252 1 27 . 1 1 5 5 TYR HA H 1 4.79 0.01 . 1 . . . . . . . . 6252 1 28 . 1 1 5 5 TYR CA C 13 57.22 0.01 . 1 . . . . . . . . 6252 1 29 . 1 1 5 5 TYR CB C 13 45.13 0.01 . 1 . . . . . . . . 6252 1 30 . 1 1 5 5 TYR C C 13 173.83 0.01 . 1 . . . . . . . . 6252 1 31 . 1 1 6 6 THR H H 1 8.59 0.01 . 1 . . . . . . . . 6252 1 32 . 1 1 6 6 THR N N 15 112.87 0.24 . 1 . . . . . . . . 6252 1 33 . 1 1 6 6 THR HA H 1 5.02 0.01 . 1 . . . . . . . . 6252 1 34 . 1 1 6 6 THR CA C 13 59.39 0.01 . 1 . . . . . . . . 6252 1 35 . 1 1 6 6 THR CB C 13 70.66 0.01 . 1 . . . . . . . . 6252 1 36 . 1 1 6 6 THR C C 13 174.15 0.01 . 1 . . . . . . . . 6252 1 37 . 1 1 7 7 GLY H H 1 8.72 0.01 . 1 . . . . . . . . 6252 1 38 . 1 1 7 7 GLY N N 15 109.08 0.24 . 1 . . . . . . . . 6252 1 39 . 1 1 7 7 GLY HA2 H 1 3.54 0.01 . 1 . . . . . . . . 6252 1 40 . 1 1 7 7 GLY HA3 H 1 3.88 0.01 . 1 . . . . . . . . 6252 1 41 . 1 1 7 7 GLY CA C 13 46.16 0.01 . 1 . . . . . . . . 6252 1 42 . 1 1 7 7 GLY C C 13 175.06 0.01 . 1 . . . . . . . . 6252 1 43 . 1 1 8 8 LEU H H 1 8.42 0.01 . 5 . . . . . . . . 6252 1 44 . 1 1 8 8 LEU N N 15 118.80 0.24 . 5 . . . . . . . . 6252 1 45 . 1 1 8 8 LEU HA H 1 4.46 0.01 . 1 . . . . . . . . 6252 1 46 . 1 1 8 8 LEU CA C 13 53.67 0.01 . 1 . . . . . . . . 6252 1 47 . 1 1 8 8 LEU CB C 13 43.86 0.01 . 1 . . . . . . . . 6252 1 48 . 1 1 8 8 LEU C C 13 178.30 0.01 . 1 . . . . . . . . 6252 1 49 . 1 1 9 9 THR H H 1 8.89 0.01 . 1 . . . . . . . . 6252 1 50 . 1 1 9 9 THR N N 15 111.92 0.24 . 1 . . . . . . . . 6252 1 51 . 1 1 9 9 THR HA H 1 4.54 0.01 . 1 . . . . . . . . 6252 1 52 . 1 1 9 9 THR CA C 13 60.62 0.01 . 1 . . . . . . . . 6252 1 53 . 1 1 9 9 THR CB C 13 70.59 0.01 . 1 . . . . . . . . 6252 1 54 . 1 1 9 9 THR C C 13 175.60 0.01 . 1 . . . . . . . . 6252 1 55 . 1 1 10 10 GLU H H 1 8.77 0.01 . 1 . . . . . . . . 6252 1 56 . 1 1 10 10 GLU N N 15 121.88 0.24 . 1 . . . . . . . . 6252 1 57 . 1 1 10 10 GLU HA H 1 3.83 0.01 . 1 . . . . . . . . 6252 1 58 . 1 1 10 10 GLU CA C 13 60.05 0.01 . 1 . . . . . . . . 6252 1 59 . 1 1 10 10 GLU CB C 13 29.30 0.01 . 1 . . . . . . . . 6252 1 60 . 1 1 10 10 GLU C C 13 178.23 0.01 . 1 . . . . . . . . 6252 1 61 . 1 1 11 11 LYS H H 1 8.20 0.01 . 1 . . . . . . . . 6252 1 62 . 1 1 11 11 LYS N N 15 117.37 0.24 . 1 . . . . . . . . 6252 1 63 . 1 1 11 11 LYS HA H 1 3.92 0.01 . 1 . . . . . . . . 6252 1 64 . 1 1 11 11 LYS CA C 13 59.39 0.01 . 1 . . . . . . . . 6252 1 65 . 1 1 11 11 LYS CB C 13 32.41 0.01 . 1 . . . . . . . . 6252 1 66 . 1 1 11 11 LYS C C 13 179.24 0.01 . 1 . . . . . . . . 6252 1 67 . 1 1 12 12 GLU H H 1 7.64 0.01 . 5 . . . . . . . . 6252 1 68 . 1 1 12 12 GLU N N 15 119.51 0.24 . 5 . . . . . . . . 6252 1 69 . 1 1 12 12 GLU HA H 1 4.07 0.01 . 1 . . . . . . . . 6252 1 70 . 1 1 12 12 GLU CA C 13 59.31 0.01 . 1 . . . . . . . . 6252 1 71 . 1 1 12 12 GLU CB C 13 29.63 0.01 . 1 . . . . . . . . 6252 1 72 . 1 1 12 12 GLU C C 13 179.05 0.01 . 1 . . . . . . . . 6252 1 73 . 1 1 13 13 ALA H H 1 8.77 0.01 . 1 . . . . . . . . 6252 1 74 . 1 1 13 13 ALA N N 15 120.46 0.24 . 1 . . . . . . . . 6252 1 75 . 1 1 13 13 ALA HA H 1 3.78 0.01 . 1 . . . . . . . . 6252 1 76 . 1 1 13 13 ALA CA C 13 55.01 0.01 . 1 . . . . . . . . 6252 1 77 . 1 1 13 13 ALA CB C 13 17.94 0.01 . 1 . . . . . . . . 6252 1 78 . 1 1 13 13 ALA C C 13 179.39 0.01 . 1 . . . . . . . . 6252 1 79 . 1 1 14 14 ASN H H 1 8.41 0.01 . 1 . . . . . . . . 6252 1 80 . 1 1 14 14 ASN N N 15 116.19 0.24 . 1 . . . . . . . . 6252 1 81 . 1 1 14 14 ASN HA H 1 4.40 0.01 . 1 . . . . . . . . 6252 1 82 . 1 1 14 14 ASN CA C 13 55.62 0.01 . 1 . . . . . . . . 6252 1 83 . 1 1 14 14 ASN CB C 13 37.12 0.01 . 1 . . . . . . . . 6252 1 84 . 1 1 14 14 ASN C C 13 178.84 0.01 . 1 . . . . . . . . 6252 1 85 . 1 1 15 15 GLN H H 1 7.73 0.01 . 1 . . . . . . . . 6252 1 86 . 1 1 15 15 GLN N N 15 120.70 0.24 . 1 . . . . . . . . 6252 1 87 . 1 1 15 15 GLN HA H 1 4.09 0.01 . 1 . . . . . . . . 6252 1 88 . 1 1 15 15 GLN CA C 13 58.76 0.01 . 1 . . . . . . . . 6252 1 89 . 1 1 15 15 GLN CB C 13 28.79 0.01 . 1 . . . . . . . . 6252 1 90 . 1 1 15 15 GLN C C 13 179.37 0.01 . 1 . . . . . . . . 6252 1 91 . 1 1 16 16 MET H H 1 8.12 0.01 . 5 . . . . . . . . 6252 1 92 . 1 1 16 16 MET N N 15 118.80 0.24 . 5 . . . . . . . . 6252 1 93 . 1 1 16 16 MET HA H 1 3.46 0.01 . 1 . . . . . . . . 6252 1 94 . 1 1 16 16 MET CA C 13 59.29 0.01 . 1 . . . . . . . . 6252 1 95 . 1 1 16 16 MET CB C 13 33.68 0.01 . 1 . . . . . . . . 6252 1 96 . 1 1 16 16 MET C C 13 177.18 0.01 . 1 . . . . . . . . 6252 1 97 . 1 1 17 17 GLN H H 1 8.75 0.01 . 1 . . . . . . . . 6252 1 98 . 1 1 17 17 GLN N N 15 109.08 0.24 . 1 . . . . . . . . 6252 1 99 . 1 1 17 17 GLN HA H 1 3.63 0.01 . 1 . . . . . . . . 6252 1 100 . 1 1 17 17 GLN CA C 13 59.29 0.01 . 1 . . . . . . . . 6252 1 101 . 1 1 17 17 GLN CB C 13 28.49 0.01 . 1 . . . . . . . . 6252 1 102 . 1 1 17 17 GLN C C 13 177.02 0.01 . 1 . . . . . . . . 6252 1 103 . 1 1 18 18 ALA H H 1 7.95 0.01 . 1 . . . . . . . . 6252 1 104 . 1 1 18 18 ALA N N 15 118.80 0.24 . 1 . . . . . . . . 6252 1 105 . 1 1 18 18 ALA HA H 1 3.94 0.01 . 1 . . . . . . . . 6252 1 106 . 1 1 18 18 ALA CA C 13 55.06 0.01 . 1 . . . . . . . . 6252 1 107 . 1 1 18 18 ALA CB C 13 17.45 0.01 . 1 . . . . . . . . 6252 1 108 . 1 1 18 18 ALA C C 13 180.49 0.01 . 1 . . . . . . . . 6252 1 109 . 1 1 19 19 LEU H H 1 7.42 0.01 . 1 . . . . . . . . 6252 1 110 . 1 1 19 19 LEU N N 15 119.27 0.24 . 1 . . . . . . . . 6252 1 111 . 1 1 19 19 LEU HA H 1 4.02 0.01 . 1 . . . . . . . . 6252 1 112 . 1 1 19 19 LEU CA C 13 57.27 0.01 . 1 . . . . . . . . 6252 1 113 . 1 1 19 19 LEU CB C 13 41.49 0.01 . 1 . . . . . . . . 6252 1 114 . 1 1 19 19 LEU C C 13 179.76 0.01 . 1 . . . . . . . . 6252 1 115 . 1 1 20 20 LEU H H 1 8.06 0.01 . 1 . . . . . . . . 6252 1 116 . 1 1 20 20 LEU N N 15 120.70 0.24 . 1 . . . . . . . . 6252 1 117 . 1 1 20 20 LEU HA H 1 3.80 0.01 . 1 . . . . . . . . 6252 1 118 . 1 1 20 20 LEU CA C 13 58.47 0.01 . 1 . . . . . . . . 6252 1 119 . 1 1 20 20 LEU CB C 13 40.13 0.01 . 1 . . . . . . . . 6252 1 120 . 1 1 20 20 LEU C C 13 179.55 0.01 . 1 . . . . . . . . 6252 1 121 . 1 1 21 21 LEU H H 1 8.83 0.01 . 5 . . . . . . . . 6252 1 122 . 1 1 21 21 LEU N N 15 121.65 0.24 . 5 . . . . . . . . 6252 1 123 . 1 1 21 21 LEU HA H 1 4.09 0.01 . 1 . . . . . . . . 6252 1 124 . 1 1 21 21 LEU CA C 13 58.14 0.01 . 1 . . . . . . . . 6252 1 125 . 1 1 21 21 LEU CB C 13 41.49 0.01 . 1 . . . . . . . . 6252 1 126 . 1 1 21 21 LEU C C 13 182.00 0.01 . 1 . . . . . . . . 6252 1 127 . 1 1 22 22 SER H H 1 7.95 0.01 . 1 . . . . . . . . 6252 1 128 . 1 1 22 22 SER N N 15 114.53 0.24 . 1 . . . . . . . . 6252 1 129 . 1 1 22 22 SER HA H 1 4.27 0.01 . 1 . . . . . . . . 6252 1 130 . 1 1 22 22 SER CA C 13 61.19 0.01 . 1 . . . . . . . . 6252 1 131 . 1 1 22 22 SER CB C 13 62.72 0.01 . 1 . . . . . . . . 6252 1 132 . 1 1 22 22 SER C C 13 174.12 0.01 . 1 . . . . . . . . 6252 1 133 . 1 1 23 23 ASN H H 1 7.49 0.01 . 1 . . . . . . . . 6252 1 134 . 1 1 23 23 ASN N N 15 119.51 0.24 . 1 . . . . . . . . 6252 1 135 . 1 1 23 23 ASN HA H 1 4.69 0.01 . 1 . . . . . . . . 6252 1 136 . 1 1 23 23 ASN CA C 13 53.51 0.01 . 1 . . . . . . . . 6252 1 137 . 1 1 23 23 ASN CB C 13 41.16 0.01 . 1 . . . . . . . . 6252 1 138 . 1 1 23 23 ASN C C 13 172.50 0.01 . 1 . . . . . . . . 6252 1 139 . 1 1 24 24 ASP H H 1 7.91 0.01 . 1 . . . . . . . . 6252 1 140 . 1 1 24 24 ASP N N 15 114.06 0.24 . 1 . . . . . . . . 6252 1 141 . 1 1 24 24 ASP HA H 1 4.19 0.01 . 1 . . . . . . . . 6252 1 142 . 1 1 24 24 ASP CA C 13 55.47 0.01 . 1 . . . . . . . . 6252 1 143 . 1 1 24 24 ASP CB C 13 38.87 0.01 . 1 . . . . . . . . 6252 1 144 . 1 1 24 24 ASP C C 13 174.33 0.01 . 1 . . . . . . . . 6252 1 145 . 1 1 25 25 VAL H H 1 7.76 0.01 . 5 . . . . . . . . 6252 1 146 . 1 1 25 25 VAL N N 15 119.04 0.24 . 5 . . . . . . . . 6252 1 147 . 1 1 25 25 VAL HA H 1 3.98 0.01 . 1 . . . . . . . . 6252 1 148 . 1 1 25 25 VAL CA C 13 60.95 0.01 . 1 . . . . . . . . 6252 1 149 . 1 1 25 25 VAL CB C 13 32.33 0.01 . 1 . . . . . . . . 6252 1 150 . 1 1 25 25 VAL C C 13 174.54 0.01 . 1 . . . . . . . . 6252 1 151 . 1 1 26 26 ASN H H 1 8.72 0.01 . 1 . . . . . . . . 6252 1 152 . 1 1 26 26 ASN N N 15 124.73 0.24 . 1 . . . . . . . . 6252 1 153 . 1 1 26 26 ASN HA H 1 4.50 0.01 . 1 . . . . . . . . 6252 1 154 . 1 1 26 26 ASN CA C 13 53.10 0.01 . 1 . . . . . . . . 6252 1 155 . 1 1 26 26 ASN CB C 13 38.05 0.01 . 1 . . . . . . . . 6252 1 156 . 1 1 26 26 ASN C C 13 174.54 0.01 . 1 . . . . . . . . 6252 1 157 . 1 1 27 27 VAL H H 1 7.50 0.01 . 1 . . . . . . . . 6252 1 158 . 1 1 27 27 VAL N N 15 120.93 0.24 . 1 . . . . . . . . 6252 1 159 . 1 1 27 27 VAL HA H 1 4.83 0.01 . 1 . . . . . . . . 6252 1 160 . 1 1 27 27 VAL CA C 13 58.49 0.01 . 1 . . . . . . . . 6252 1 161 . 1 1 27 27 VAL CB C 13 34.45 0.01 . 1 . . . . . . . . 6252 1 162 . 1 1 27 27 VAL C C 13 173.71 0.01 . 1 . . . . . . . . 6252 1 163 . 1 1 28 28 SER H H 1 8.83 0.01 . 5 . . . . . . . . 6252 1 164 . 1 1 28 28 SER N N 15 121.65 0.24 . 5 . . . . . . . . 6252 1 165 . 1 1 28 28 SER HA H 1 4.69 0.01 . 1 . . . . . . . . 6252 1 166 . 1 1 28 28 SER CA C 13 56.69 0.01 . 1 . . . . . . . . 6252 1 167 . 1 1 28 28 SER CB C 13 64.46 0.01 . 1 . . . . . . . . 6252 1 168 . 1 1 28 28 SER C C 13 172.31 0.01 . 1 . . . . . . . . 6252 1 169 . 1 1 29 29 LYS H H 1 8.71 0.01 . 1 . . . . . . . . 6252 1 170 . 1 1 29 29 LYS N N 15 125.44 0.24 . 1 . . . . . . . . 6252 1 171 . 1 1 29 29 LYS HA H 1 5.25 0.01 . 1 . . . . . . . . 6252 1 172 . 1 1 29 29 LYS CA C 13 54.32 0.01 . 1 . . . . . . . . 6252 1 173 . 1 1 29 29 LYS CB C 13 35.44 0.01 . 1 . . . . . . . . 6252 1 174 . 1 1 29 29 LYS C C 13 174.72 0.01 . 1 . . . . . . . . 6252 1 175 . 1 1 30 30 GLU H H 1 8.48 0.01 . 1 . . . . . . . . 6252 1 176 . 1 1 30 30 GLU N N 15 123.78 0.24 . 1 . . . . . . . . 6252 1 177 . 1 1 30 30 GLU HA H 1 4.56 0.01 . 1 . . . . . . . . 6252 1 178 . 1 1 30 30 GLU CA C 13 54.41 0.01 . 1 . . . . . . . . 6252 1 179 . 1 1 30 30 GLU CB C 13 33.88 0.01 . 1 . . . . . . . . 6252 1 180 . 1 1 30 30 GLU C C 13 173.74 0.01 . 1 . . . . . . . . 6252 1 181 . 1 1 31 31 MET H H 1 8.67 0.01 . 1 . . . . . . . . 6252 1 182 . 1 1 31 31 MET N N 15 124.25 0.24 . 1 . . . . . . . . 6252 1 183 . 1 1 31 31 MET HA H 1 5.02 0.01 . 1 . . . . . . . . 6252 1 184 . 1 1 31 31 MET CA C 13 54.73 0.01 . 1 . . . . . . . . 6252 1 185 . 1 1 31 31 MET CB C 13 35.19 0.01 . 1 . . . . . . . . 6252 1 186 . 1 1 31 31 MET C C 13 176.32 0.01 . 1 . . . . . . . . 6252 1 187 . 1 1 32 32 ASP H H 1 8.98 0.01 . 1 . . . . . . . . 6252 1 188 . 1 1 32 32 ASP N N 15 126.86 0.24 . 1 . . . . . . . . 6252 1 189 . 1 1 32 32 ASP HA H 1 4.69 0.01 . 1 . . . . . . . . 6252 1 190 . 1 1 32 32 ASP CA C 13 52.12 0.01 . 1 . . . . . . . . 6252 1 191 . 1 1 32 32 ASP CB C 13 41.65 0.01 . 1 . . . . . . . . 6252 1 192 . 1 1 32 32 ASP C C 13 178.28 0.01 . 1 . . . . . . . . 6252 1 193 . 1 1 33 33 LYS H H 1 8.26 0.01 . 1 . . . . . . . . 6252 1 194 . 1 1 33 33 LYS N N 15 116.90 0.24 . 1 . . . . . . . . 6252 1 195 . 1 1 33 33 LYS HA H 1 4.02 0.01 . 1 . . . . . . . . 6252 1 196 . 1 1 33 33 LYS CA C 13 57.92 0.01 . 1 . . . . . . . . 6252 1 197 . 1 1 33 33 LYS CB C 13 31.84 0.01 . 1 . . . . . . . . 6252 1 198 . 1 1 33 33 LYS C C 13 179.26 0.01 . 1 . . . . . . . . 6252 1 199 . 1 1 34 34 SER H H 1 8.35 0.01 . 1 . . . . . . . . 6252 1 200 . 1 1 34 34 SER N N 15 114.77 0.24 . 1 . . . . . . . . 6252 1 201 . 1 1 34 34 SER HA H 1 4.42 0.01 . 1 . . . . . . . . 6252 1 202 . 1 1 34 34 SER CA C 13 58.31 0.01 . 1 . . . . . . . . 6252 1 203 . 1 1 34 34 SER CB C 13 63.74 0.01 . 1 . . . . . . . . 6252 1 204 . 1 1 34 34 SER C C 13 174.37 0.01 . 1 . . . . . . . . 6252 1 205 . 1 1 35 35 GLY H H 1 7.98 0.01 . 1 . . . . . . . . 6252 1 206 . 1 1 35 35 GLY N N 15 109.08 0.24 . 1 . . . . . . . . 6252 1 207 . 1 1 35 35 GLY HA2 H 1 3.93 0.01 . 2 . . . . . . . . 6252 1 208 . 1 1 35 35 GLY CA C 13 44.84 0.01 . 1 . . . . . . . . 6252 1 209 . 1 1 35 35 GLY C C 13 173.96 0.01 . 1 . . . . . . . . 6252 1 210 . 1 1 36 36 ASN H H 1 8.12 0.01 . 5 . . . . . . . . 6252 1 211 . 1 1 36 36 ASN N N 15 118.80 0.24 . 5 . . . . . . . . 6252 1 212 . 1 1 36 36 ASN HA H 1 4.83 0.01 . 1 . . . . . . . . 6252 1 213 . 1 1 36 36 ASN CA C 13 51.79 0.01 . 1 . . . . . . . . 6252 1 214 . 1 1 36 36 ASN CB C 13 39.20 0.01 . 1 . . . . . . . . 6252 1 215 . 1 1 36 36 ASN C C 13 173.88 0.01 . 1 . . . . . . . . 6252 1 216 . 1 1 37 37 MET H H 1 9.28 0.01 . 1 . . . . . . . . 6252 1 217 . 1 1 37 37 MET N N 15 116.67 0.24 . 1 . . . . . . . . 6252 1 218 . 1 1 37 37 MET HA H 1 5.25 0.01 . 1 . . . . . . . . 6252 1 219 . 1 1 37 37 MET CA C 13 53.51 0.01 . 1 . . . . . . . . 6252 1 220 . 1 1 37 37 MET CB C 13 33.96 0.01 . 1 . . . . . . . . 6252 1 221 . 1 1 37 37 MET C C 13 175.63 0.01 . 1 . . . . . . . . 6252 1 222 . 1 1 38 38 THR H H 1 8.78 0.01 . 1 . . . . . . . . 6252 1 223 . 1 1 38 38 THR N N 15 116.43 0.24 . 1 . . . . . . . . 6252 1 224 . 1 1 38 38 THR HA H 1 4.98 0.01 . 1 . . . . . . . . 6252 1 225 . 1 1 38 38 THR CA C 13 60.37 0.01 . 1 . . . . . . . . 6252 1 226 . 1 1 38 38 THR CB C 13 71.49 0.01 . 1 . . . . . . . . 6252 1 227 . 1 1 38 38 THR C C 13 174.33 0.01 . 1 . . . . . . . . 6252 1 228 . 1 1 39 39 LEU H H 1 8.30 0.01 . 1 . . . . . . . . 6252 1 229 . 1 1 39 39 LEU N N 15 124.49 0.24 . 1 . . . . . . . . 6252 1 230 . 1 1 39 39 LEU HA H 1 5.45 0.01 . 1 . . . . . . . . 6252 1 231 . 1 1 39 39 LEU CA C 13 52.69 0.01 . 1 . . . . . . . . 6252 1 232 . 1 1 39 39 LEU CB C 13 45.82 0.01 . 1 . . . . . . . . 6252 1 233 . 1 1 39 39 LEU C C 13 176.02 0.01 . 1 . . . . . . . . 6252 1 234 . 1 1 40 40 SER H H 1 8.82 0.01 . 1 . . . . . . . . 6252 1 235 . 1 1 40 40 SER N N 15 117.85 0.24 . 1 . . . . . . . . 6252 1 236 . 1 1 40 40 SER HA H 1 5.23 0.01 . 1 . . . . . . . . 6252 1 237 . 1 1 40 40 SER CA C 13 57.51 0.01 . 1 . . . . . . . . 6252 1 238 . 1 1 40 40 SER CB C 13 65.52 0.01 . 1 . . . . . . . . 6252 1 239 . 1 1 40 40 SER C C 13 172.03 0.01 . 1 . . . . . . . . 6252 1 240 . 1 1 41 41 VAL H H 1 8.70 0.01 . 1 . . . . . . . . 6252 1 241 . 1 1 41 41 VAL N N 15 114.06 0.24 . 1 . . . . . . . . 6252 1 242 . 1 1 41 41 VAL HA H 1 4.83 0.01 . 1 . . . . . . . . 6252 1 243 . 1 1 41 41 VAL CA C 13 58.28 0.01 . 1 . . . . . . . . 6252 1 244 . 1 1 41 41 VAL CB C 13 36.17 0.01 . 1 . . . . . . . . 6252 1 245 . 1 1 41 41 VAL C C 13 174.81 0.01 . 1 . . . . . . . . 6252 1 246 . 1 1 42 42 GLU H H 1 9.21 0.01 . 1 . . . . . . . . 6252 1 247 . 1 1 42 42 GLU N N 15 122.12 0.24 . 1 . . . . . . . . 6252 1 248 . 1 1 42 42 GLU HA H 1 4.31 0.01 . 1 . . . . . . . . 6252 1 249 . 1 1 42 42 GLU CA C 13 56.69 0.01 . 1 . . . . . . . . 6252 1 250 . 1 1 42 42 GLU CB C 13 29.06 0.01 . 1 . . . . . . . . 6252 1 251 . 1 1 42 42 GLU C C 13 179.19 0.01 . 1 . . . . . . . . 6252 1 252 . 1 1 43 43 LYS H H 1 8.99 0.01 . 1 . . . . . . . . 6252 1 253 . 1 1 43 43 LYS N N 15 124.02 0.24 . 1 . . . . . . . . 6252 1 254 . 1 1 43 43 LYS HA H 1 3.67 0.01 . 1 . . . . . . . . 6252 1 255 . 1 1 43 43 LYS CA C 13 60.29 0.01 . 1 . . . . . . . . 6252 1 256 . 1 1 43 43 LYS CB C 13 32.17 0.01 . 1 . . . . . . . . 6252 1 257 . 1 1 43 43 LYS C C 13 179.16 0.01 . 1 . . . . . . . . 6252 1 258 . 1 1 44 44 GLU H H 1 9.23 0.01 . 1 . . . . . . . . 6252 1 259 . 1 1 44 44 GLU N N 15 116.67 0.24 . 1 . . . . . . . . 6252 1 260 . 1 1 44 44 GLU HA H 1 4.07 0.01 . 1 . . . . . . . . 6252 1 261 . 1 1 44 44 GLU CA C 13 58.74 0.01 . 1 . . . . . . . . 6252 1 262 . 1 1 44 44 GLU CB C 13 28.73 0.01 . 1 . . . . . . . . 6252 1 263 . 1 1 44 44 GLU C C 13 176.96 0.01 . 1 . . . . . . . . 6252 1 264 . 1 1 45 45 ASP H H 1 7.92 0.01 . 1 . . . . . . . . 6252 1 265 . 1 1 45 45 ASP N N 15 117.14 0.24 . 1 . . . . . . . . 6252 1 266 . 1 1 45 45 ASP HA H 1 4.96 0.01 . 1 . . . . . . . . 6252 1 267 . 1 1 45 45 ASP CA C 13 54.16 0.01 . 1 . . . . . . . . 6252 1 268 . 1 1 45 45 ASP CB C 13 43.04 0.01 . 1 . . . . . . . . 6252 1 269 . 1 1 45 45 ASP C C 13 175.77 0.01 . 1 . . . . . . . . 6252 1 270 . 1 1 46 46 PHE H H 1 7.60 0.01 . 1 . . . . . . . . 6252 1 271 . 1 1 46 46 PHE N N 15 122.12 0.24 . 1 . . . . . . . . 6252 1 272 . 1 1 46 46 PHE HA H 1 3.65 0.01 . 1 . . . . . . . . 6252 1 273 . 1 1 46 46 PHE CA C 13 63.15 0.01 . 1 . . . . . . . . 6252 1 274 . 1 1 46 46 PHE CB C 13 40.18 0.01 . 1 . . . . . . . . 6252 1 275 . 1 1 46 46 PHE C C 13 175.46 0.01 . 1 . . . . . . . . 6252 1 276 . 1 1 47 47 VAL H H 1 8.37 0.01 . 1 . . . . . . . . 6252 1 277 . 1 1 47 47 VAL N N 15 117.38 0.24 . 1 . . . . . . . . 6252 1 278 . 1 1 47 47 VAL HA H 1 3.38 0.01 . 1 . . . . . . . . 6252 1 279 . 1 1 47 47 VAL CA C 13 66.59 0.01 . 1 . . . . . . . . 6252 1 280 . 1 1 47 47 VAL CB C 13 30.86 0.01 . 1 . . . . . . . . 6252 1 281 . 1 1 47 47 VAL C C 13 179.56 0.01 . 1 . . . . . . . . 6252 1 282 . 1 1 48 48 ARG H H 1 8.53 0.01 . 1 . . . . . . . . 6252 1 283 . 1 1 48 48 ARG N N 15 122.83 0.24 . 1 . . . . . . . . 6252 1 284 . 1 1 48 48 ARG HA H 1 3.92 0.01 . 1 . . . . . . . . 6252 1 285 . 1 1 48 48 ARG CA C 13 59.39 0.01 . 1 . . . . . . . . 6252 1 286 . 1 1 48 48 ARG CB C 13 30.20 0.01 . 1 . . . . . . . . 6252 1 287 . 1 1 48 48 ARG C C 13 177.97 0.01 . 1 . . . . . . . . 6252 1 288 . 1 1 49 49 ALA H H 1 8.50 0.01 . 5 . . . . . . . . 6252 1 289 . 1 1 49 49 ALA N N 15 119.75 0.24 . 5 . . . . . . . . 6252 1 290 . 1 1 49 49 ALA HA H 1 3.76 0.01 . 1 . . . . . . . . 6252 1 291 . 1 1 49 49 ALA CA C 13 54.73 0.01 . 1 . . . . . . . . 6252 1 292 . 1 1 49 49 ALA CB C 13 19.41 0.01 . 1 . . . . . . . . 6252 1 293 . 1 1 49 49 ALA C C 13 178.92 0.01 . 1 . . . . . . . . 6252 1 294 . 1 1 50 50 ILE H H 1 8.12 0.01 . 1 . . . . . . . . 6252 1 295 . 1 1 50 50 ILE N N 15 117.14 0.24 . 1 . . . . . . . . 6252 1 296 . 1 1 50 50 ILE HA H 1 3.57 0.01 . 1 . . . . . . . . 6252 1 297 . 1 1 50 50 ILE CA C 13 62.91 0.01 . 1 . . . . . . . . 6252 1 298 . 1 1 50 50 ILE CB C 13 36.50 0.01 . 1 . . . . . . . . 6252 1 299 . 1 1 50 50 ILE C C 13 177.86 0.01 . 1 . . . . . . . . 6252 1 300 . 1 1 51 51 THR H H 1 7.92 0.01 . 1 . . . . . . . . 6252 1 301 . 1 1 51 51 THR N N 15 117.38 0.24 . 1 . . . . . . . . 6252 1 302 . 1 1 51 51 THR HA H 1 4.19 0.01 . 1 . . . . . . . . 6252 1 303 . 1 1 51 51 THR CA C 13 66.42 0.01 . 1 . . . . . . . . 6252 1 304 . 1 1 51 51 THR CB C 13 68.55 0.01 . 1 . . . . . . . . 6252 1 305 . 1 1 51 51 THR C C 13 176.95 0.01 . 1 . . . . . . . . 6252 1 306 . 1 1 52 52 ILE H H 1 7.98 0.01 . 1 . . . . . . . . 6252 1 307 . 1 1 52 52 ILE N N 15 121.41 0.24 . 1 . . . . . . . . 6252 1 308 . 1 1 52 52 ILE HA H 1 3.59 0.01 . 1 . . . . . . . . 6252 1 309 . 1 1 52 52 ILE CA C 13 64.95 0.01 . 1 . . . . . . . . 6252 1 310 . 1 1 52 52 ILE CB C 13 38.46 0.01 . 1 . . . . . . . . 6252 1 311 . 1 1 52 52 ILE C C 13 179.48 0.01 . 1 . . . . . . . . 6252 1 312 . 1 1 53 53 LEU H H 1 8.23 0.01 . 1 . . . . . . . . 6252 1 313 . 1 1 53 53 LEU N N 15 119.51 0.24 . 1 . . . . . . . . 6252 1 314 . 1 1 53 53 LEU HA H 1 3.89 0.01 . 1 . . . . . . . . 6252 1 315 . 1 1 53 53 LEU CA C 13 58.82 0.01 . 1 . . . . . . . . 6252 1 316 . 1 1 53 53 LEU CB C 13 40.18 0.01 . 1 . . . . . . . . 6252 1 317 . 1 1 53 53 LEU C C 13 179.54 0.01 . 1 . . . . . . . . 6252 1 318 . 1 1 54 54 ASN H H 1 9.14 0.01 . 1 . . . . . . . . 6252 1 319 . 1 1 54 54 ASN N N 15 119.75 0.24 . 1 . . . . . . . . 6252 1 320 . 1 1 54 54 ASN HA H 1 4.60 0.01 . 1 . . . . . . . . 6252 1 321 . 1 1 54 54 ASN CA C 13 55.71 0.01 . 1 . . . . . . . . 6252 1 322 . 1 1 54 54 ASN CB C 13 37.64 0.01 . 1 . . . . . . . . 6252 1 323 . 1 1 54 54 ASN C C 13 179.34 0.01 . 1 . . . . . . . . 6252 1 324 . 1 1 55 55 ASN H H 1 8.50 0.01 . 5 . . . . . . . . 6252 1 325 . 1 1 55 55 ASN N N 15 118.33 0.24 . 5 . . . . . . . . 6252 1 326 . 1 1 55 55 ASN HA H 1 4.42 0.01 . 1 . . . . . . . . 6252 1 327 . 1 1 55 55 ASN CA C 13 54.65 0.01 . 1 . . . . . . . . 6252 1 328 . 1 1 55 55 ASN CB C 13 37.64 0.01 . 1 . . . . . . . . 6252 1 329 . 1 1 55 55 ASN C C 13 175.92 0.01 . 1 . . . . . . . . 6252 1 330 . 1 1 56 56 ASN H H 1 7.54 0.01 . 1 . . . . . . . . 6252 1 331 . 1 1 56 56 ASN N N 15 115.95 0.24 . 1 . . . . . . . . 6252 1 332 . 1 1 56 56 ASN HA H 1 4.67 0.01 . 1 . . . . . . . . 6252 1 333 . 1 1 56 56 ASN CA C 13 53.10 0.01 . 1 . . . . . . . . 6252 1 334 . 1 1 56 56 ASN CB C 13 41.65 0.01 . 1 . . . . . . . . 6252 1 335 . 1 1 56 56 ASN C C 13 173.36 0.01 . 1 . . . . . . . . 6252 1 336 . 1 1 57 57 GLY H H 1 7.51 0.01 . 1 . . . . . . . . 6252 1 337 . 1 1 57 57 GLY N N 15 106.23 0.24 . 1 . . . . . . . . 6252 1 338 . 1 1 57 57 GLY HA2 H 1 3.44 0.01 . 1 . . . . . . . . 6252 1 339 . 1 1 57 57 GLY HA3 H 1 3.44 0.01 . 1 . . . . . . . . 6252 1 340 . 1 1 57 57 GLY CA C 13 46.23 0.01 . 1 . . . . . . . . 6252 1 341 . 1 1 57 57 GLY C C 13 173.12 0.01 . 1 . . . . . . . . 6252 1 342 . 1 1 58 58 PHE H H 1 8.00 0.01 . 1 . . . . . . . . 6252 1 343 . 1 1 58 58 PHE N N 15 115.95 0.24 . 1 . . . . . . . . 6252 1 344 . 1 1 58 58 PHE CA C 13 55.14 0.01 . 1 . . . . . . . . 6252 1 345 . 1 1 58 58 PHE CB C 13 41.98 0.01 . 1 . . . . . . . . 6252 1 346 . 1 1 58 58 PHE C C 13 173.91 0.01 . 1 . . . . . . . . 6252 1 347 . 1 1 63 63 PHE HA H 1 4.42 0.01 . 1 . . . . . . . . 6252 1 348 . 1 1 63 63 PHE CA C 13 57.76 0.01 . 1 . . . . . . . . 6252 1 349 . 1 1 63 63 PHE CB C 13 39.65 0.01 . 1 . . . . . . . . 6252 1 350 . 1 1 63 63 PHE C C 13 175.33 0.01 . 1 . . . . . . . . 6252 1 351 . 1 1 64 64 ALA H H 1 7.92 0.01 . 1 . . . . . . . . 6252 1 352 . 1 1 64 64 ALA N N 15 123.78 0.24 . 1 . . . . . . . . 6252 1 353 . 1 1 64 64 ALA HA H 1 4.09 0.01 . 1 . . . . . . . . 6252 1 354 . 1 1 64 64 ALA CA C 13 52.61 0.01 . 1 . . . . . . . . 6252 1 355 . 1 1 64 64 ALA CB C 13 19.16 0.01 . 1 . . . . . . . . 6252 1 356 . 1 1 64 64 ALA C C 13 177.25 0.01 . 1 . . . . . . . . 6252 1 357 . 1 1 65 65 ASP H H 1 8.17 0.01 . 1 . . . . . . . . 6252 1 358 . 1 1 65 65 ASP N N 15 118.80 0.24 . 1 . . . . . . . . 6252 1 359 . 1 1 65 65 ASP HA H 1 4.50 0.01 . 1 . . . . . . . . 6252 1 360 . 1 1 65 65 ASP CA C 13 54.08 0.01 . 1 . . . . . . . . 6252 1 361 . 1 1 65 65 ASP CB C 13 40.67 0.01 . 1 . . . . . . . . 6252 1 362 . 1 1 65 65 ASP C C 13 176.27 0.01 . 1 . . . . . . . . 6252 1 363 . 1 1 66 66 ILE H H 1 7.83 0.01 . 1 . . . . . . . . 6252 1 364 . 1 1 66 66 ILE N N 15 119.75 0.24 . 1 . . . . . . . . 6252 1 365 . 1 1 66 66 ILE HA H 1 4.27 0.01 . 1 . . . . . . . . 6252 1 366 . 1 1 66 66 ILE CA C 13 60.86 0.01 . 1 . . . . . . . . 6252 1 367 . 1 1 66 66 ILE CB C 13 38.62 0.01 . 1 . . . . . . . . 6252 1 368 . 1 1 66 66 ILE C C 13 176.00 0.01 . 1 . . . . . . . . 6252 1 369 . 1 1 67 67 GLU H H 1 8.28 0.01 . 1 . . . . . . . . 6252 1 370 . 1 1 67 67 GLU N N 15 124.02 0.24 . 1 . . . . . . . . 6252 1 371 . 1 1 67 67 GLU HA H 1 4.17 0.01 . 1 . . . . . . . . 6252 1 372 . 1 1 67 67 GLU CA C 13 56.20 0.01 . 1 . . . . . . . . 6252 1 373 . 1 1 67 67 GLU CB C 13 29.88 0.01 . 1 . . . . . . . . 6252 1 374 . 1 1 67 67 GLU C C 13 176.08 0.01 . 1 . . . . . . . . 6252 1 375 . 1 1 68 68 VAL H H 1 8.09 0.01 . 1 . . . . . . . . 6252 1 376 . 1 1 68 68 VAL N N 15 122.02 0.24 . 1 . . . . . . . . 6252 1 377 . 1 1 68 68 VAL HA H 1 4.27 0.01 . 1 . . . . . . . . 6252 1 378 . 1 1 68 68 VAL CA C 13 62.01 0.01 . 1 . . . . . . . . 6252 1 379 . 1 1 68 68 VAL CB C 13 32.33 0.01 . 1 . . . . . . . . 6252 1 380 . 1 1 68 68 VAL C C 13 175.65 0.01 . 1 . . . . . . . . 6252 1 381 . 1 1 69 69 ILE H H 1 8.03 0.01 . 1 . . . . . . . . 6252 1 382 . 1 1 69 69 ILE N N 15 125.20 0.24 . 1 . . . . . . . . 6252 1 383 . 1 1 69 69 ILE HA H 1 4.04 0.01 . 1 . . . . . . . . 6252 1 384 . 1 1 69 69 ILE CA C 13 60.37 0.01 . 1 . . . . . . . . 6252 1 385 . 1 1 69 69 ILE CB C 13 38.46 0.01 . 1 . . . . . . . . 6252 1 386 . 1 1 69 69 ILE C C 13 174.53 0.01 . 1 . . . . . . . . 6252 1 387 . 1 1 70 70 PHE H H 1 8.22 0.01 . 1 . . . . . . . . 6252 1 388 . 1 1 70 70 PHE N N 15 124.73 0.24 . 1 . . . . . . . . 6252 1 389 . 1 1 70 70 PHE CA C 13 54.98 0.01 . 1 . . . . . . . . 6252 1 390 . 1 1 70 70 PHE CB C 13 38.71 0.01 . 1 . . . . . . . . 6252 1 391 . 1 1 70 70 PHE C C 13 173.51 0.01 . 1 . . . . . . . . 6252 1 392 . 1 1 73 73 SER HA H 1 4.25 0.01 . 1 . . . . . . . . 6252 1 393 . 1 1 73 73 SER CA C 13 58.30 0.01 . 1 . . . . . . . . 6252 1 394 . 1 1 73 73 SER CB C 13 62.96 0.01 . 1 . . . . . . . . 6252 1 395 . 1 1 73 73 SER C C 13 174.80 0.01 . 1 . . . . . . . . 6252 1 396 . 1 1 74 74 GLN H H 1 8.27 0.01 . 1 . . . . . . . . 6252 1 397 . 1 1 74 74 GLN N N 15 121.41 0.24 . 1 . . . . . . . . 6252 1 398 . 1 1 74 74 GLN HA H 1 4.19 0.01 . 1 . . . . . . . . 6252 1 399 . 1 1 74 74 GLN CA C 13 55.71 0.01 . 1 . . . . . . . . 6252 1 400 . 1 1 74 74 GLN CB C 13 29.22 0.01 . 1 . . . . . . . . 6252 1 401 . 1 1 74 74 GLN C C 13 175.72 0.01 . 1 . . . . . . . . 6252 1 402 . 1 1 75 75 LEU H H 1 8.05 0.01 . 1 . . . . . . . . 6252 1 403 . 1 1 75 75 LEU N N 15 122.59 0.24 . 1 . . . . . . . . 6252 1 404 . 1 1 75 75 LEU HA H 1 4.21 0.01 . 1 . . . . . . . . 6252 1 405 . 1 1 75 75 LEU CA C 13 55.14 0.01 . 1 . . . . . . . . 6252 1 406 . 1 1 75 75 LEU CB C 13 41.98 0.01 . 1 . . . . . . . . 6252 1 407 . 1 1 75 75 LEU C C 13 177.07 0.01 . 1 . . . . . . . . 6252 1 408 . 1 1 76 76 VAL H H 1 7.89 0.01 . 1 . . . . . . . . 6252 1 409 . 1 1 76 76 VAL N N 15 120.46 0.24 . 1 . . . . . . . . 6252 1 410 . 1 1 76 76 VAL HA H 1 3.98 0.01 . 1 . . . . . . . . 6252 1 411 . 1 1 76 76 VAL CA C 13 61.44 0.01 . 1 . . . . . . . . 6252 1 412 . 1 1 76 76 VAL CB C 13 32.41 0.01 . 1 . . . . . . . . 6252 1 413 . 1 1 76 76 VAL C C 13 175.53 0.01 . 1 . . . . . . . . 6252 1 414 . 1 1 77 77 ALA H H 1 8.27 0.01 . 1 . . . . . . . . 6252 1 415 . 1 1 77 77 ALA N N 15 127.81 0.24 . 1 . . . . . . . . 6252 1 416 . 1 1 77 77 ALA HA H 1 4.20 0.01 . 1 . . . . . . . . 6252 1 417 . 1 1 77 77 ALA CA C 13 51.79 0.01 . 1 . . . . . . . . 6252 1 418 . 1 1 77 77 ALA CB C 13 19.08 0.01 . 1 . . . . . . . . 6252 1 419 . 1 1 77 77 ALA C C 13 177.27 0.01 . 1 . . . . . . . . 6252 1 420 . 1 1 78 78 SER H H 1 8.22 0.01 . 1 . . . . . . . . 6252 1 421 . 1 1 78 78 SER N N 15 116.43 0.24 . 1 . . . . . . . . 6252 1 422 . 1 1 78 78 SER CA C 13 55.71 0.01 . 1 . . . . . . . . 6252 1 423 . 1 1 78 78 SER CB C 13 62.91 0.01 . 1 . . . . . . . . 6252 1 424 . 1 1 78 78 SER C C 13 177.27 0.01 . 1 . . . . . . . . 6252 1 425 . 1 1 82 82 GLU HA H 1 4.09 0.01 . 1 . . . . . . . . 6252 1 426 . 1 1 82 82 GLU CA C 13 57.69 0.01 . 1 . . . . . . . . 6252 1 427 . 1 1 82 82 GLU CB C 13 29.33 0.01 . 1 . . . . . . . . 6252 1 428 . 1 1 82 82 GLU C C 13 177.26 0.01 . 1 . . . . . . . . 6252 1 429 . 1 1 83 83 ASN H H 1 8.28 0.01 . 1 . . . . . . . . 6252 1 430 . 1 1 83 83 ASN N N 15 118.56 0.24 . 1 . . . . . . . . 6252 1 431 . 1 1 83 83 ASN HA H 1 4.17 0.01 . 1 . . . . . . . . 6252 1 432 . 1 1 83 83 ASN CA C 13 54.16 0.01 . 1 . . . . . . . . 6252 1 433 . 1 1 83 83 ASN CB C 13 38.13 0.01 . 1 . . . . . . . . 6252 1 434 . 1 1 83 83 ASN C C 13 175.97 0.01 . 1 . . . . . . . . 6252 1 435 . 1 1 84 84 ALA H H 1 8.06 0.01 . 1 . . . . . . . . 6252 1 436 . 1 1 84 84 ALA N N 15 123.07 0.24 . 1 . . . . . . . . 6252 1 437 . 1 1 84 84 ALA HA H 1 4.13 0.01 . 1 . . . . . . . . 6252 1 438 . 1 1 84 84 ALA CA C 13 53.59 0.01 . 1 . . . . . . . . 6252 1 439 . 1 1 84 84 ALA CB C 13 18.43 0.01 . 1 . . . . . . . . 6252 1 440 . 1 1 84 84 ALA C C 13 178.99 0.01 . 1 . . . . . . . . 6252 1 441 . 1 1 85 85 LYS H H 1 8.01 0.01 . 1 . . . . . . . . 6252 1 442 . 1 1 85 85 LYS N N 15 119.51 0.24 . 1 . . . . . . . . 6252 1 443 . 1 1 85 85 LYS HA H 1 4.15 0.01 . 1 . . . . . . . . 6252 1 444 . 1 1 85 85 LYS CA C 13 57.27 0.01 . 1 . . . . . . . . 6252 1 445 . 1 1 85 85 LYS CB C 13 32.08 0.01 . 1 . . . . . . . . 6252 1 446 . 1 1 85 85 LYS C C 13 177.48 0.01 . 1 . . . . . . . . 6252 1 447 . 1 1 86 86 ILE H H 1 7.79 0.01 . 1 . . . . . . . . 6252 1 448 . 1 1 86 86 ILE N N 15 119.51 0.24 . 1 . . . . . . . . 6252 1 449 . 1 1 86 86 ILE HA H 1 3.86 0.01 . 1 . . . . . . . . 6252 1 450 . 1 1 86 86 ILE CA C 13 62.74 0.01 . 1 . . . . . . . . 6252 1 451 . 1 1 86 86 ILE CB C 13 38.05 0.01 . 1 . . . . . . . . 6252 1 452 . 1 1 86 86 ILE C C 13 177.53 0.01 . 1 . . . . . . . . 6252 1 453 . 1 1 87 87 ASN H H 1 8.25 0.01 . 1 . . . . . . . . 6252 1 454 . 1 1 87 87 ASN N N 15 120.22 0.24 . 1 . . . . . . . . 6252 1 455 . 1 1 87 87 ASN HA H 1 4.50 0.01 . 1 . . . . . . . . 6252 1 456 . 1 1 87 87 ASN CA C 13 54.98 0.01 . 1 . . . . . . . . 6252 1 457 . 1 1 87 87 ASN CB C 13 38.38 0.01 . 1 . . . . . . . . 6252 1 458 . 1 1 87 87 ASN C C 13 176.03 0.01 . 1 . . . . . . . . 6252 1 459 . 1 1 88 88 TYR H H 1 7.87 0.01 . 1 . . . . . . . . 6252 1 460 . 1 1 88 88 TYR N N 15 119.99 0.24 . 1 . . . . . . . . 6252 1 461 . 1 1 88 88 TYR CA C 13 59.56 0.01 . 1 . . . . . . . . 6252 1 462 . 1 1 88 88 TYR CB C 13 40.67 0.01 . 1 . . . . . . . . 6252 1 463 . 1 1 89 89 LEU H H 1 7.64 0.01 . 5 . . . . . . . . 6252 1 464 . 1 1 89 89 LEU N N 15 119.51 0.24 . 5 . . . . . . . . 6252 1 465 . 1 1 90 90 LYS HA H 1 4.09 0.01 . 1 . . . . . . . . 6252 1 466 . 1 1 90 90 LYS CA C 13 57.76 0.01 . 1 . . . . . . . . 6252 1 467 . 1 1 90 90 LYS CB C 13 31.62 0.01 . 1 . . . . . . . . 6252 1 468 . 1 1 90 90 LYS C C 13 178.82 0.01 . 1 . . . . . . . . 6252 1 469 . 1 1 91 91 GLU H H 1 8.49 0.01 . 1 . . . . . . . . 6252 1 470 . 1 1 91 91 GLU N N 15 119.27 0.24 . 1 . . . . . . . . 6252 1 471 . 1 1 91 91 GLU HA H 1 3.46 0.01 . 1 . . . . . . . . 6252 1 472 . 1 1 91 91 GLU CA C 13 60.44 0.01 . 1 . . . . . . . . 6252 1 473 . 1 1 91 91 GLU CB C 13 28.79 0.01 . 1 . . . . . . . . 6252 1 474 . 1 1 91 91 GLU C C 13 178.82 0.01 . 1 . . . . . . . . 6252 1 475 . 1 1 92 92 GLN H H 1 8.00 0.01 . 1 . . . . . . . . 6252 1 476 . 1 1 92 92 GLN N N 15 115.78 0.24 . 1 . . . . . . . . 6252 1 477 . 1 1 92 92 GLN HA H 1 3.85 0.01 . 1 . . . . . . . . 6252 1 478 . 1 1 92 92 GLN CA C 13 58.30 0.01 . 1 . . . . . . . . 6252 1 479 . 1 1 92 92 GLN CB C 13 28.79 0.01 . 1 . . . . . . . . 6252 1 480 . 1 1 93 93 ASP H H 1 7.86 0.01 . 1 . . . . . . . . 6252 1 481 . 1 1 93 93 ASP N N 15 120.52 0.24 . 1 . . . . . . . . 6252 1 482 . 1 1 93 93 ASP HA H 1 4.33 0.01 . 1 . . . . . . . . 6252 1 483 . 1 1 93 93 ASP CA C 13 57.23 0.01 . 1 . . . . . . . . 6252 1 484 . 1 1 93 93 ASP CB C 13 40.56 0.01 . 1 . . . . . . . . 6252 1 485 . 1 1 93 93 ASP C C 13 179.03 0.01 . 1 . . . . . . . . 6252 1 486 . 1 1 94 94 ILE H H 1 8.03 0.01 . 1 . . . . . . . . 6252 1 487 . 1 1 94 94 ILE N N 15 119.99 0.24 . 1 . . . . . . . . 6252 1 488 . 1 1 94 94 ILE HA H 1 3.53 0.01 . 1 . . . . . . . . 6252 1 489 . 1 1 94 94 ILE CA C 13 64.81 0.01 . 1 . . . . . . . . 6252 1 490 . 1 1 94 94 ILE CB C 13 37.53 0.01 . 1 . . . . . . . . 6252 1 491 . 1 1 94 94 ILE C C 13 178.07 0.01 . 1 . . . . . . . . 6252 1 492 . 1 1 95 95 GLU H H 1 8.50 0.01 . 1 . . . . . . . . 6252 1 493 . 1 1 95 95 GLU N N 15 119.99 0.24 . 1 . . . . . . . . 6252 1 494 . 1 1 95 95 GLU HA H 1 3.69 0.01 . 1 . . . . . . . . 6252 1 495 . 1 1 95 95 GLU CA C 13 59.65 0.01 . 1 . . . . . . . . 6252 1 496 . 1 1 95 95 GLU CB C 13 28.76 0.01 . 1 . . . . . . . . 6252 1 497 . 1 1 95 95 GLU C C 13 179.35 0.01 . 1 . . . . . . . . 6252 1 498 . 1 1 96 96 ARG H H 1 7.94 0.01 . 1 . . . . . . . . 6252 1 499 . 1 1 96 96 ARG N N 15 118.80 0.24 . 1 . . . . . . . . 6252 1 500 . 1 1 96 96 ARG HA H 1 3.84 0.01 . 1 . . . . . . . . 6252 1 501 . 1 1 96 96 ARG CA C 13 59.30 0.01 . 1 . . . . . . . . 6252 1 502 . 1 1 96 96 ARG CB C 13 29.70 0.01 . 1 . . . . . . . . 6252 1 503 . 1 1 96 96 ARG C C 13 179.44 0.01 . 1 . . . . . . . . 6252 1 504 . 1 1 97 97 LEU H H 1 7.49 0.01 . 1 . . . . . . . . 6252 1 505 . 1 1 97 97 LEU N N 15 119.99 0.24 . 1 . . . . . . . . 6252 1 506 . 1 1 97 97 LEU HA H 1 3.92 0.01 . 1 . . . . . . . . 6252 1 507 . 1 1 97 97 LEU CA C 13 57.58 0.01 . 1 . . . . . . . . 6252 1 508 . 1 1 97 97 LEU CB C 13 42.18 0.01 . 1 . . . . . . . . 6252 1 509 . 1 1 97 97 LEU C C 13 180.23 0.01 . 1 . . . . . . . . 6252 1 510 . 1 1 98 98 LEU H H 1 8.50 0.01 . 5 . . . . . . . . 6252 1 511 . 1 1 98 98 LEU N N 15 119.75 0.24 . 5 . . . . . . . . 6252 1 512 . 1 1 98 98 LEU HA H 1 3.82 0.01 . 1 . . . . . . . . 6252 1 513 . 1 1 98 98 LEU CA C 13 57.24 0.01 . 1 . . . . . . . . 6252 1 514 . 1 1 98 98 LEU CB C 13 42.01 0.01 . 1 . . . . . . . . 6252 1 515 . 1 1 98 98 LEU C C 13 178.48 0.01 . 1 . . . . . . . . 6252 1 516 . 1 1 99 99 SER H H 1 7.79 0.01 . 1 . . . . . . . . 6252 1 517 . 1 1 99 99 SER N N 15 110.50 0.24 . 1 . . . . . . . . 6252 1 518 . 1 1 99 99 SER HA H 1 3.86 0.01 . 1 . . . . . . . . 6252 1 519 . 1 1 99 99 SER CA C 13 60.34 0.01 . 1 . . . . . . . . 6252 1 520 . 1 1 99 99 SER CB C 13 62.89 0.01 . 1 . . . . . . . . 6252 1 521 . 1 1 99 99 SER C C 13 174.21 0.01 . 1 . . . . . . . . 6252 1 522 . 1 1 100 100 LYS H H 1 7.03 0.01 . 1 . . . . . . . . 6252 1 523 . 1 1 100 100 LYS N N 15 117.61 0.24 . 1 . . . . . . . . 6252 1 524 . 1 1 100 100 LYS HA H 1 4.15 0.01 . 1 . . . . . . . . 6252 1 525 . 1 1 100 100 LYS CA C 13 55.25 0.01 . 1 . . . . . . . . 6252 1 526 . 1 1 100 100 LYS CB C 13 32.15 0.01 . 1 . . . . . . . . 6252 1 527 . 1 1 100 100 LYS C C 13 177.45 0.01 . 1 . . . . . . . . 6252 1 528 . 1 1 101 101 ILE H H 1 7.59 0.01 . 1 . . . . . . . . 6252 1 529 . 1 1 101 101 ILE N N 15 125.20 0.24 . 1 . . . . . . . . 6252 1 530 . 1 1 101 101 ILE CA C 13 59.50 0.01 . 1 . . . . . . . . 6252 1 531 . 1 1 101 101 ILE CB C 13 37.41 0.01 . 1 . . . . . . . . 6252 1 532 . 1 1 101 101 ILE C C 13 174.60 0.01 . 1 . . . . . . . . 6252 1 533 . 1 1 102 102 PRO HA H 1 4.13 0.01 . 1 . . . . . . . . 6252 1 534 . 1 1 102 102 PRO CA C 13 63.86 0.01 . 1 . . . . . . . . 6252 1 535 . 1 1 102 102 PRO CB C 13 31.17 0.01 . 1 . . . . . . . . 6252 1 536 . 1 1 102 102 PRO C C 13 176.62 0.01 . 1 . . . . . . . . 6252 1 537 . 1 1 103 103 GLY H H 1 8.44 0.01 . 1 . . . . . . . . 6252 1 538 . 1 1 103 103 GLY N N 15 110.26 0.24 . 1 . . . . . . . . 6252 1 539 . 1 1 103 103 GLY HA2 H 1 3.44 0.01 . 1 . . . . . . . . 6252 1 540 . 1 1 103 103 GLY HA3 H 1 4.25 0.01 . 1 . . . . . . . . 6252 1 541 . 1 1 103 103 GLY CA C 13 44.67 0.01 . 1 . . . . . . . . 6252 1 542 . 1 1 103 103 GLY C C 13 173.88 0.01 . 1 . . . . . . . . 6252 1 543 . 1 1 104 104 VAL H H 1 7.65 0.01 . 1 . . . . . . . . 6252 1 544 . 1 1 104 104 VAL N N 15 119.99 0.24 . 1 . . . . . . . . 6252 1 545 . 1 1 104 104 VAL HA H 1 3.72 0.01 . 1 . . . . . . . . 6252 1 546 . 1 1 104 104 VAL CA C 13 63.52 0.01 . 1 . . . . . . . . 6252 1 547 . 1 1 104 104 VAL CB C 13 31.17 0.01 . 1 . . . . . . . . 6252 1 548 . 1 1 104 104 VAL C C 13 176.30 0.01 . 1 . . . . . . . . 6252 1 549 . 1 1 105 105 ILE H H 1 8.98 0.01 . 1 . . . . . . . . 6252 1 550 . 1 1 105 105 ILE N N 15 127.34 0.24 . 1 . . . . . . . . 6252 1 551 . 1 1 105 105 ILE HA H 1 4.13 0.01 . 1 . . . . . . . . 6252 1 552 . 1 1 105 105 ILE CA C 13 61.45 0.01 . 1 . . . . . . . . 6252 1 553 . 1 1 105 105 ILE CB C 13 38.31 0.01 . 1 . . . . . . . . 6252 1 554 . 1 1 105 105 ILE C C 13 175.62 0.01 . 1 . . . . . . . . 6252 1 555 . 1 1 106 106 ASP H H 1 7.83 0.01 . 1 . . . . . . . . 6252 1 556 . 1 1 106 106 ASP N N 15 117.38 0.24 . 1 . . . . . . . . 6252 1 557 . 1 1 106 106 ASP HA H 1 4.77 0.01 . 1 . . . . . . . . 6252 1 558 . 1 1 106 106 ASP CA C 13 52.59 0.01 . 1 . . . . . . . . 6252 1 559 . 1 1 106 106 ASP CB C 13 43.56 0.01 . 1 . . . . . . . . 6252 1 560 . 1 1 106 106 ASP C C 13 173.80 0.01 . 1 . . . . . . . . 6252 1 561 . 1 1 107 107 CYS H H 1 8.66 0.01 . 1 . . . . . . . . 6252 1 562 . 1 1 107 107 CYS N N 15 115.72 0.24 . 1 . . . . . . . . 6252 1 563 . 1 1 107 107 CYS HA H 1 5.26 0.01 . 1 . . . . . . . . 6252 1 564 . 1 1 107 107 CYS CA C 13 56.12 0.01 . 1 . . . . . . . . 6252 1 565 . 1 1 107 107 CYS CB C 13 29.87 0.01 . 1 . . . . . . . . 6252 1 566 . 1 1 107 107 CYS C C 13 172.08 0.01 . 1 . . . . . . . . 6252 1 567 . 1 1 108 108 SER H H 1 8.89 0.01 . 1 . . . . . . . . 6252 1 568 . 1 1 108 108 SER N N 15 115.01 0.24 . 1 . . . . . . . . 6252 1 569 . 1 1 108 108 SER HA H 1 4.85 0.01 . 1 . . . . . . . . 6252 1 570 . 1 1 108 108 SER CA C 13 56.29 0.01 . 1 . . . . . . . . 6252 1 571 . 1 1 108 108 SER CB C 13 65.41 0.01 . 1 . . . . . . . . 6252 1 572 . 1 1 108 108 SER C C 13 173.33 0.01 . 1 . . . . . . . . 6252 1 573 . 1 1 109 109 VAL H H 1 9.92 0.01 . 1 . . . . . . . . 6252 1 574 . 1 1 109 109 VAL N N 15 127.57 0.24 . 1 . . . . . . . . 6252 1 575 . 1 1 109 109 VAL HA H 1 4.50 0.01 . 1 . . . . . . . . 6252 1 576 . 1 1 109 109 VAL CA C 13 60.85 0.01 . 1 . . . . . . . . 6252 1 577 . 1 1 109 109 VAL CB C 13 34.00 0.01 . 1 . . . . . . . . 6252 1 578 . 1 1 109 109 VAL C C 13 173.75 0.01 . 1 . . . . . . . . 6252 1 579 . 1 1 110 110 SER H H 1 8.66 0.01 . 1 . . . . . . . . 6252 1 580 . 1 1 110 110 SER N N 15 120.22 0.24 . 1 . . . . . . . . 6252 1 581 . 1 1 110 110 SER HA H 1 4.91 0.01 . 1 . . . . . . . . 6252 1 582 . 1 1 110 110 SER CA C 13 55.52 0.01 . 1 . . . . . . . . 6252 1 583 . 1 1 110 110 SER CB C 13 64.46 0.01 . 1 . . . . . . . . 6252 1 584 . 1 1 110 110 SER C C 13 174.26 0.01 . 1 . . . . . . . . 6252 1 585 . 1 1 111 111 LEU H H 1 10.14 0.01 . 1 . . . . . . . . 6252 1 586 . 1 1 111 111 LEU N N 15 128.28 0.24 . 1 . . . . . . . . 6252 1 587 . 1 1 111 111 LEU HA H 1 4.66 0.01 . 1 . . . . . . . . 6252 1 588 . 1 1 111 111 LEU CA C 13 53.45 0.01 . 1 . . . . . . . . 6252 1 589 . 1 1 111 111 LEU CB C 13 43.38 0.01 . 1 . . . . . . . . 6252 1 590 . 1 1 111 111 LEU C C 13 175.56 0.01 . 1 . . . . . . . . 6252 1 591 . 1 1 112 112 ASN H H 1 8.54 0.01 . 1 . . . . . . . . 6252 1 592 . 1 1 112 112 ASN N N 15 122.36 0.24 . 1 . . . . . . . . 6252 1 593 . 1 1 112 112 ASN HA H 1 4.81 0.01 . 1 . . . . . . . . 6252 1 594 . 1 1 112 112 ASN CA C 13 52.59 0.01 . 1 . . . . . . . . 6252 1 595 . 1 1 112 112 ASN CB C 13 38.65 0.01 . 1 . . . . . . . . 6252 1 596 . 1 1 112 112 ASN C C 13 174.01 0.01 . 1 . . . . . . . . 6252 1 597 . 1 1 113 113 VAL H H 1 8.20 0.01 . 1 . . . . . . . . 6252 1 598 . 1 1 113 113 VAL N N 15 120.70 0.24 . 1 . . . . . . . . 6252 1 599 . 1 1 113 113 VAL HA H 1 4.20 0.01 . 1 . . . . . . . . 6252 1 600 . 1 1 113 113 VAL CA C 13 60.68 0.01 . 1 . . . . . . . . 6252 1 601 . 1 1 113 113 VAL CB C 13 32.80 0.01 . 1 . . . . . . . . 6252 1 602 . 1 1 113 113 VAL C C 13 175.60 0.01 . 1 . . . . . . . . 6252 1 603 . 1 1 114 114 ASN H H 1 8.62 0.01 . 5 . . . . . . . . 6252 1 604 . 1 1 114 114 ASN N N 15 123.54 0.24 . 5 . . . . . . . . 6252 1 605 . 1 1 114 114 ASN HA H 1 4.60 0.01 . 1 . . . . . . . . 6252 1 606 . 1 1 114 114 ASN CA C 13 52.68 0.01 . 1 . . . . . . . . 6252 1 607 . 1 1 114 114 ASN CB C 13 39.25 0.01 . 1 . . . . . . . . 6252 1 608 . 1 1 114 114 ASN C C 13 179.32 0.01 . 1 . . . . . . . . 6252 1 609 . 1 1 115 115 ASN H H 1 8.50 0.01 . 5 . . . . . . . . 6252 1 610 . 1 1 115 115 ASN N N 15 118.33 0.24 . 5 . . . . . . . . 6252 1 611 . 1 1 115 115 ASN HA H 1 4.50 0.01 . 1 . . . . . . . . 6252 1 612 . 1 1 115 115 ASN CA C 13 53.62 0.01 . 1 . . . . . . . . 6252 1 613 . 1 1 115 115 ASN CB C 13 38.48 0.01 . 1 . . . . . . . . 6252 1 614 . 1 1 115 115 ASN C C 13 175.46 0.01 . 1 . . . . . . . . 6252 1 615 . 1 1 116 116 ASN H H 1 8.39 0.01 . 1 . . . . . . . . 6252 1 616 . 1 1 116 116 ASN N N 15 117.14 0.24 . 1 . . . . . . . . 6252 1 617 . 1 1 116 116 ASN HA H 1 4.52 0.01 . 1 . . . . . . . . 6252 1 618 . 1 1 116 116 ASN CA C 13 53.36 0.01 . 1 . . . . . . . . 6252 1 619 . 1 1 116 116 ASN CB C 13 38.57 0.01 . 1 . . . . . . . . 6252 1 620 . 1 1 116 116 ASN C C 13 175.13 0.01 . 1 . . . . . . . . 6252 1 621 . 1 1 117 117 GLU H H 1 8.31 0.01 . 1 . . . . . . . . 6252 1 622 . 1 1 117 117 GLU N N 15 119.51 0.24 . 1 . . . . . . . . 6252 1 623 . 1 1 117 117 GLU HA H 1 4.19 0.01 . 1 . . . . . . . . 6252 1 624 . 1 1 117 117 GLU CA C 13 56.72 0.01 . 1 . . . . . . . . 6252 1 625 . 1 1 117 117 GLU CB C 13 29.79 0.01 . 1 . . . . . . . . 6252 1 626 . 1 1 117 117 GLU C C 13 176.38 0.01 . 1 . . . . . . . . 6252 1 627 . 1 1 118 118 SER H H 1 8.30 0.01 . 1 . . . . . . . . 6252 1 628 . 1 1 118 118 SER N N 15 113.11 0.24 . 1 . . . . . . . . 6252 1 629 . 1 1 118 118 SER HA H 1 4.27 0.01 . 1 . . . . . . . . 6252 1 630 . 1 1 118 118 SER CA C 13 58.79 0.01 . 1 . . . . . . . . 6252 1 631 . 1 1 118 118 SER CB C 13 63.35 0.01 . 1 . . . . . . . . 6252 1 632 . 1 1 118 118 SER C C 13 174.03 0.01 . 1 . . . . . . . . 6252 1 633 . 1 1 119 119 GLN H H 1 7.66 0.01 . 1 . . . . . . . . 6252 1 634 . 1 1 119 119 GLN N N 15 120.70 0.24 . 1 . . . . . . . . 6252 1 635 . 1 1 119 119 GLN CA C 13 52.59 0.01 . 1 . . . . . . . . 6252 1 636 . 1 1 119 119 GLN CB C 13 29.27 0.01 . 1 . . . . . . . . 6252 1 637 . 1 1 119 119 GLN C C 13 173.01 0.01 . 1 . . . . . . . . 6252 1 638 . 1 1 120 120 PRO CA C 13 62.92 0.01 . 1 . . . . . . . . 6252 1 639 . 1 1 120 120 PRO CB C 13 31.60 0.01 . 1 . . . . . . . . 6252 1 640 . 1 1 120 120 PRO C C 13 177.35 0.01 . 1 . . . . . . . . 6252 1 641 . 1 1 121 121 SER H H 1 8.22 0.01 . 1 . . . . . . . . 6252 1 642 . 1 1 121 121 SER N N 15 114.53 0.24 . 1 . . . . . . . . 6252 1 643 . 1 1 121 121 SER HA H 1 4.59 0.01 . 1 . . . . . . . . 6252 1 644 . 1 1 121 121 SER CA C 13 58.27 0.01 . 1 . . . . . . . . 6252 1 645 . 1 1 121 121 SER CB C 13 63.86 0.01 . 1 . . . . . . . . 6252 1 646 . 1 1 121 121 SER C C 13 173.71 0.01 . 1 . . . . . . . . 6252 1 647 . 1 1 122 122 SER H H 1 8.45 0.01 . 1 . . . . . . . . 6252 1 648 . 1 1 122 122 SER N N 15 114.77 0.24 . 1 . . . . . . . . 6252 1 649 . 1 1 122 122 SER HA H 1 4.69 0.01 . 1 . . . . . . . . 6252 1 650 . 1 1 122 122 SER CA C 13 57.32 0.01 . 1 . . . . . . . . 6252 1 651 . 1 1 122 122 SER CB C 13 65.93 0.01 . 1 . . . . . . . . 6252 1 652 . 1 1 122 122 SER C C 13 171.98 0.01 . 1 . . . . . . . . 6252 1 653 . 1 1 123 123 ALA H H 1 8.42 0.01 . 5 . . . . . . . . 6252 1 654 . 1 1 123 123 ALA N N 15 118.80 0.24 . 5 . . . . . . . . 6252 1 655 . 1 1 123 123 ALA HA H 1 5.22 0.01 . 1 . . . . . . . . 6252 1 656 . 1 1 123 123 ALA CA C 13 50.53 0.01 . 1 . . . . . . . . 6252 1 657 . 1 1 123 123 ALA CB C 13 24.02 0.01 . 1 . . . . . . . . 6252 1 658 . 1 1 123 123 ALA C C 13 174.96 0.01 . 1 . . . . . . . . 6252 1 659 . 1 1 124 124 ALA H H 1 9.00 0.01 . 1 . . . . . . . . 6252 1 660 . 1 1 124 124 ALA N N 15 125.68 0.24 . 1 . . . . . . . . 6252 1 661 . 1 1 124 124 ALA HA H 1 5.10 0.01 . 1 . . . . . . . . 6252 1 662 . 1 1 124 124 ALA CA C 13 50.87 0.01 . 1 . . . . . . . . 6252 1 663 . 1 1 124 124 ALA CB C 13 20.58 0.01 . 1 . . . . . . . . 6252 1 664 . 1 1 124 124 ALA C C 13 175.96 0.01 . 1 . . . . . . . . 6252 1 665 . 1 1 125 125 VAL H H 1 8.95 0.01 . 1 . . . . . . . . 6252 1 666 . 1 1 125 125 VAL N N 15 124.02 0.24 . 1 . . . . . . . . 6252 1 667 . 1 1 125 125 VAL HA H 1 4.65 0.01 . 1 . . . . . . . . 6252 1 668 . 1 1 125 125 VAL CA C 13 60.42 0.01 . 1 . . . . . . . . 6252 1 669 . 1 1 125 125 VAL CB C 13 34.44 0.01 . 1 . . . . . . . . 6252 1 670 . 1 1 125 125 VAL C C 13 173.83 0.01 . 1 . . . . . . . . 6252 1 671 . 1 1 126 126 LEU H H 1 9.05 0.01 . 1 . . . . . . . . 6252 1 672 . 1 1 126 126 LEU N N 15 132.32 0.24 . 1 . . . . . . . . 6252 1 673 . 1 1 126 126 LEU HA H 1 5.14 0.01 . 1 . . . . . . . . 6252 1 674 . 1 1 126 126 LEU CA C 13 53.19 0.01 . 1 . . . . . . . . 6252 1 675 . 1 1 126 126 LEU CB C 13 43.81 0.01 . 1 . . . . . . . . 6252 1 676 . 1 1 126 126 LEU C C 13 175.20 0.01 . 1 . . . . . . . . 6252 1 677 . 1 1 127 127 VAL H H 1 9.07 0.01 . 1 . . . . . . . . 6252 1 678 . 1 1 127 127 VAL N N 15 125.20 0.24 . 1 . . . . . . . . 6252 1 679 . 1 1 127 127 VAL HA H 1 4.25 0.01 . 1 . . . . . . . . 6252 1 680 . 1 1 127 127 VAL CA C 13 60.68 0.01 . 1 . . . . . . . . 6252 1 681 . 1 1 127 127 VAL CB C 13 34.95 0.01 . 1 . . . . . . . . 6252 1 682 . 1 1 127 127 VAL C C 13 172.98 0.01 . 1 . . . . . . . . 6252 1 683 . 1 1 128 128 ILE H H 1 8.47 0.01 . 1 . . . . . . . . 6252 1 684 . 1 1 128 128 ILE N N 15 126.39 0.24 . 1 . . . . . . . . 6252 1 685 . 1 1 128 128 ILE HA H 1 4.95 0.01 . 1 . . . . . . . . 6252 1 686 . 1 1 128 128 ILE CA C 13 58.10 0.01 . 1 . . . . . . . . 6252 1 687 . 1 1 128 128 ILE CB C 13 36.50 0.01 . 1 . . . . . . . . 6252 1 688 . 1 1 128 128 ILE C C 13 175.72 0.01 . 1 . . . . . . . . 6252 1 689 . 1 1 129 129 SER H H 1 8.92 0.01 . 1 . . . . . . . . 6252 1 690 . 1 1 129 129 SER N N 15 122.12 0.24 . 1 . . . . . . . . 6252 1 691 . 1 1 129 129 SER HA H 1 5.16 0.01 . 1 . . . . . . . . 6252 1 692 . 1 1 129 129 SER CA C 13 55.77 0.01 . 1 . . . . . . . . 6252 1 693 . 1 1 129 129 SER CB C 13 66.70 0.01 . 1 . . . . . . . . 6252 1 694 . 1 1 129 129 SER C C 13 174.15 0.01 . 1 . . . . . . . . 6252 1 695 . 1 1 130 130 SER H H 1 8.72 0.01 . 1 . . . . . . . . 6252 1 696 . 1 1 130 130 SER N N 15 117.61 0.24 . 1 . . . . . . . . 6252 1 697 . 1 1 130 130 SER CA C 13 55.86 0.01 . 1 . . . . . . . . 6252 1 698 . 1 1 130 130 SER CB C 13 63.43 0.01 . 1 . . . . . . . . 6252 1 699 . 1 1 139 139 VAL HA H 1 3.33 0.01 . 1 . . . . . . . . 6252 1 700 . 1 1 139 139 VAL CA C 13 67.57 0.01 . 1 . . . . . . . . 6252 1 701 . 1 1 139 139 VAL CB C 13 31.27 0.01 . 1 . . . . . . . . 6252 1 702 . 1 1 139 139 VAL C C 13 177.37 0.01 . 1 . . . . . . . . 6252 1 703 . 1 1 140 140 ILE H H 1 8.08 0.01 . 1 . . . . . . . . 6252 1 704 . 1 1 140 140 ILE N N 15 118.80 0.24 . 1 . . . . . . . . 6252 1 705 . 1 1 140 140 ILE HA H 1 3.68 0.01 . 1 . . . . . . . . 6252 1 706 . 1 1 140 140 ILE CA C 13 63.17 0.01 . 1 . . . . . . . . 6252 1 707 . 1 1 140 140 ILE CB C 13 37.02 0.01 . 1 . . . . . . . . 6252 1 708 . 1 1 140 140 ILE C C 13 177.40 0.01 . 1 . . . . . . . . 6252 1 709 . 1 1 141 141 GLN H H 1 7.50 0.01 . 1 . . . . . . . . 6252 1 710 . 1 1 141 141 GLN N N 15 121.65 0.24 . 1 . . . . . . . . 6252 1 711 . 1 1 141 141 GLN HA H 1 4.01 0.01 . 1 . . . . . . . . 6252 1 712 . 1 1 141 141 GLN CA C 13 58.79 0.01 . 1 . . . . . . . . 6252 1 713 . 1 1 141 141 GLN CB C 13 27.98 0.01 . 1 . . . . . . . . 6252 1 714 . 1 1 141 141 GLN C C 13 179.16 0.01 . 1 . . . . . . . . 6252 1 715 . 1 1 142 142 ILE H H 1 7.99 0.01 . 1 . . . . . . . . 6252 1 716 . 1 1 142 142 ILE N N 15 119.75 0.24 . 1 . . . . . . . . 6252 1 717 . 1 1 142 142 ILE HA H 1 3.37 0.01 . 1 . . . . . . . . 6252 1 718 . 1 1 142 142 ILE CA C 13 64.93 0.01 . 1 . . . . . . . . 6252 1 719 . 1 1 142 142 ILE CB C 13 36.90 0.01 . 1 . . . . . . . . 6252 1 720 . 1 1 142 142 ILE C C 13 177.35 0.01 . 1 . . . . . . . . 6252 1 721 . 1 1 143 143 LYS H H 1 8.58 0.01 . 1 . . . . . . . . 6252 1 722 . 1 1 143 143 LYS N N 15 117.38 0.24 . 1 . . . . . . . . 6252 1 723 . 1 1 143 143 LYS HA H 1 3.52 0.01 . 1 . . . . . . . . 6252 1 724 . 1 1 143 143 LYS CA C 13 61.36 0.01 . 1 . . . . . . . . 6252 1 725 . 1 1 143 143 LYS CB C 13 33.00 0.01 . 1 . . . . . . . . 6252 1 726 . 1 1 143 143 LYS C C 13 178.14 0.01 . 1 . . . . . . . . 6252 1 727 . 1 1 144 144 ASN H H 1 8.17 0.01 . 1 . . . . . . . . 6252 1 728 . 1 1 144 144 ASN N N 15 115.95 0.24 . 1 . . . . . . . . 6252 1 729 . 1 1 144 144 ASN HA H 1 4.26 0.01 . 1 . . . . . . . . 6252 1 730 . 1 1 144 144 ASN CA C 13 55.76 0.01 . 1 . . . . . . . . 6252 1 731 . 1 1 144 144 ASN CB C 13 38.09 0.01 . 1 . . . . . . . . 6252 1 732 . 1 1 144 144 ASN C C 13 177.23 0.01 . 1 . . . . . . . . 6252 1 733 . 1 1 145 145 LEU H H 1 7.78 0.01 . 1 . . . . . . . . 6252 1 734 . 1 1 145 145 LEU N N 15 121.71 0.24 . 1 . . . . . . . . 6252 1 735 . 1 1 145 145 LEU HA H 1 3.97 0.01 . 1 . . . . . . . . 6252 1 736 . 1 1 145 145 LEU CA C 13 57.63 0.01 . 1 . . . . . . . . 6252 1 737 . 1 1 145 145 LEU CB C 13 42.17 0.01 . 1 . . . . . . . . 6252 1 738 . 1 1 145 145 LEU C C 13 179.67 0.01 . 1 . . . . . . . . 6252 1 739 . 1 1 146 146 VAL H H 1 7.76 0.01 . 5 . . . . . . . . 6252 1 740 . 1 1 146 146 VAL N N 15 119.04 0.24 . 5 . . . . . . . . 6252 1 741 . 1 1 146 146 VAL HA H 1 3.21 0.01 . 1 . . . . . . . . 6252 1 742 . 1 1 146 146 VAL CA C 13 66.62 0.01 . 1 . . . . . . . . 6252 1 743 . 1 1 146 146 VAL CB C 13 30.82 0.01 . 1 . . . . . . . . 6252 1 744 . 1 1 146 146 VAL C C 13 177.40 0.01 . 1 . . . . . . . . 6252 1 745 . 1 1 147 147 LYS H H 1 8.41 0.01 . 1 . . . . . . . . 6252 1 746 . 1 1 147 147 LYS N N 15 119.75 0.24 . 1 . . . . . . . . 6252 1 747 . 1 1 147 147 LYS HA H 1 3.64 0.01 . 1 . . . . . . . . 6252 1 748 . 1 1 147 147 LYS CA C 13 59.39 0.01 . 1 . . . . . . . . 6252 1 749 . 1 1 147 147 LYS CB C 13 31.85 0.01 . 1 . . . . . . . . 6252 1 750 . 1 1 147 147 LYS C C 13 177.64 0.01 . 1 . . . . . . . . 6252 1 751 . 1 1 148 148 ASN H H 1 7.92 0.01 . 1 . . . . . . . . 6252 1 752 . 1 1 148 148 ASN N N 15 113.35 0.24 . 1 . . . . . . . . 6252 1 753 . 1 1 148 148 ASN HA H 1 4.40 0.01 . 1 . . . . . . . . 6252 1 754 . 1 1 148 148 ASN CA C 13 54.57 0.01 . 1 . . . . . . . . 6252 1 755 . 1 1 148 148 ASN CB C 13 38.13 0.01 . 1 . . . . . . . . 6252 1 756 . 1 1 148 148 ASN C C 13 176.41 0.01 . 1 . . . . . . . . 6252 1 757 . 1 1 149 149 SER H H 1 7.54 0.01 . 1 . . . . . . . . 6252 1 758 . 1 1 149 149 SER N N 15 113.35 0.24 . 1 . . . . . . . . 6252 1 759 . 1 1 149 149 SER HA H 1 4.34 0.01 . 1 . . . . . . . . 6252 1 760 . 1 1 149 149 SER CA C 13 60.08 0.01 . 1 . . . . . . . . 6252 1 761 . 1 1 149 149 SER CB C 13 64.46 0.01 . 1 . . . . . . . . 6252 1 762 . 1 1 149 149 SER C C 13 173.10 0.01 . 1 . . . . . . . . 6252 1 763 . 1 1 150 150 VAL H H 1 7.34 0.01 . 1 . . . . . . . . 6252 1 764 . 1 1 150 150 VAL N N 15 120.46 0.24 . 1 . . . . . . . . 6252 1 765 . 1 1 150 150 VAL HA H 1 4.19 0.01 . 1 . . . . . . . . 6252 1 766 . 1 1 150 150 VAL CA C 13 60.42 0.01 . 1 . . . . . . . . 6252 1 767 . 1 1 150 150 VAL CB C 13 32.97 0.01 . 1 . . . . . . . . 6252 1 768 . 1 1 150 150 VAL C C 13 174.30 0.01 . 1 . . . . . . . . 6252 1 769 . 1 1 151 151 ASP H H 1 8.23 0.01 . 1 . . . . . . . . 6252 1 770 . 1 1 151 151 ASP N N 15 124.02 0.24 . 1 . . . . . . . . 6252 1 771 . 1 1 151 151 ASP HA H 1 4.36 0.01 . 1 . . . . . . . . 6252 1 772 . 1 1 151 151 ASP CA C 13 56.12 0.01 . 1 . . . . . . . . 6252 1 773 . 1 1 151 151 ASP CB C 13 40.89 0.01 . 1 . . . . . . . . 6252 1 774 . 1 1 151 151 ASP C C 13 176.64 0.01 . 1 . . . . . . . . 6252 1 775 . 1 1 152 152 ASP H H 1 8.34 0.01 . 1 . . . . . . . . 6252 1 776 . 1 1 152 152 ASP N N 15 115.95 0.24 . 1 . . . . . . . . 6252 1 777 . 1 1 152 152 ASP HA H 1 4.22 0.01 . 1 . . . . . . . . 6252 1 778 . 1 1 152 152 ASP CA C 13 55.17 0.01 . 1 . . . . . . . . 6252 1 779 . 1 1 152 152 ASP CB C 13 40.20 0.01 . 1 . . . . . . . . 6252 1 780 . 1 1 152 152 ASP C C 13 175.16 0.01 . 1 . . . . . . . . 6252 1 781 . 1 1 153 153 LEU H H 1 7.60 0.01 . 1 . . . . . . . . 6252 1 782 . 1 1 153 153 LEU N N 15 120.70 0.24 . 1 . . . . . . . . 6252 1 783 . 1 1 153 153 LEU HA H 1 4.24 0.01 . 1 . . . . . . . . 6252 1 784 . 1 1 153 153 LEU CA C 13 54.14 0.01 . 1 . . . . . . . . 6252 1 785 . 1 1 153 153 LEU CB C 13 43.21 0.01 . 1 . . . . . . . . 6252 1 786 . 1 1 153 153 LEU C C 13 175.82 0.01 . 1 . . . . . . . . 6252 1 787 . 1 1 154 154 LYS H H 1 8.37 0.01 . 1 . . . . . . . . 6252 1 788 . 1 1 154 154 LYS N N 15 123.54 0.24 . 1 . . . . . . . . 6252 1 789 . 1 1 154 154 LYS HA H 1 4.34 0.01 . 1 . . . . . . . . 6252 1 790 . 1 1 154 154 LYS CA C 13 54.66 0.01 . 1 . . . . . . . . 6252 1 791 . 1 1 154 154 LYS CB C 13 32.80 0.01 . 1 . . . . . . . . 6252 1 792 . 1 1 154 154 LYS C C 13 178.23 0.01 . 1 . . . . . . . . 6252 1 793 . 1 1 155 155 LEU H H 1 8.67 0.01 . 5 . . . . . . . . 6252 1 794 . 1 1 155 155 LEU N N 15 122.59 0.24 . 5 . . . . . . . . 6252 1 795 . 1 1 155 155 LEU HA H 1 3.66 0.01 . 1 . . . . . . . . 6252 1 796 . 1 1 155 155 LEU CA C 13 58.18 0.01 . 1 . . . . . . . . 6252 1 797 . 1 1 155 155 LEU CB C 13 42.18 0.01 . 1 . . . . . . . . 6252 1 798 . 1 1 155 155 LEU C C 13 179.39 0.01 . 1 . . . . . . . . 6252 1 799 . 1 1 156 156 GLU H H 1 9.38 0.01 . 1 . . . . . . . . 6252 1 800 . 1 1 156 156 GLU N N 15 115.07 0.24 . 1 . . . . . . . . 6252 1 801 . 1 1 156 156 GLU HA H 1 4.03 0.01 . 1 . . . . . . . . 6252 1 802 . 1 1 156 156 GLU CA C 13 57.93 0.01 . 1 . . . . . . . . 6252 1 803 . 1 1 156 156 GLU CB C 13 28.24 0.01 . 1 . . . . . . . . 6252 1 804 . 1 1 156 156 GLU C C 13 176.51 0.01 . 1 . . . . . . . . 6252 1 805 . 1 1 157 157 ASN H H 1 7.71 0.01 . 1 . . . . . . . . 6252 1 806 . 1 1 157 157 ASN N N 15 117.14 0.24 . 1 . . . . . . . . 6252 1 807 . 1 1 157 157 ASN HA H 1 4.97 0.01 . 1 . . . . . . . . 6252 1 808 . 1 1 157 157 ASN CA C 13 52.50 0.01 . 1 . . . . . . . . 6252 1 809 . 1 1 157 157 ASN CB C 13 39.17 0.01 . 1 . . . . . . . . 6252 1 810 . 1 1 157 157 ASN C C 13 173.32 0.01 . 1 . . . . . . . . 6252 1 811 . 1 1 158 158 ILE H H 1 7.29 0.01 . 1 . . . . . . . . 6252 1 812 . 1 1 158 158 ILE N N 15 120.22 0.24 . 1 . . . . . . . . 6252 1 813 . 1 1 158 158 ILE HA H 1 4.60 0.01 . 1 . . . . . . . . 6252 1 814 . 1 1 158 158 ILE CA C 13 60.25 0.01 . 1 . . . . . . . . 6252 1 815 . 1 1 158 158 ILE CB C 13 39.17 0.01 . 1 . . . . . . . . 6252 1 816 . 1 1 158 158 ILE C C 13 174.67 0.01 . 1 . . . . . . . . 6252 1 817 . 1 1 159 159 SER H H 1 8.67 0.01 . 5 . . . . . . . . 6252 1 818 . 1 1 159 159 SER N N 15 122.59 0.24 . 5 . . . . . . . . 6252 1 819 . 1 1 159 159 SER HA H 1 4.69 0.01 . 1 . . . . . . . . 6252 1 820 . 1 1 159 159 SER CA C 13 56.12 0.01 . 1 . . . . . . . . 6252 1 821 . 1 1 159 159 SER CB C 13 64.03 0.01 . 1 . . . . . . . . 6252 1 822 . 1 1 159 159 SER C C 13 173.54 0.01 . 1 . . . . . . . . 6252 1 823 . 1 1 160 160 VAL H H 1 8.56 0.01 . 1 . . . . . . . . 6252 1 824 . 1 1 160 160 VAL N N 15 124.73 0.24 . 1 . . . . . . . . 6252 1 825 . 1 1 160 160 VAL HA H 1 4.75 0.01 . 1 . . . . . . . . 6252 1 826 . 1 1 160 160 VAL CA C 13 60.59 0.01 . 1 . . . . . . . . 6252 1 827 . 1 1 160 160 VAL CB C 13 33.92 0.01 . 1 . . . . . . . . 6252 1 828 . 1 1 160 160 VAL C C 13 174.45 0.01 . 1 . . . . . . . . 6252 1 829 . 1 1 161 161 VAL H H 1 8.72 0.01 . 1 . . . . . . . . 6252 1 830 . 1 1 161 161 VAL N N 15 129.71 0.24 . 1 . . . . . . . . 6252 1 831 . 1 1 161 161 VAL HA H 1 4.09 0.01 . 1 . . . . . . . . 6252 1 832 . 1 1 161 161 VAL CA C 13 61.19 0.01 . 1 . . . . . . . . 6252 1 833 . 1 1 161 161 VAL CB C 13 34.35 0.01 . 1 . . . . . . . . 6252 1 834 . 1 1 161 161 VAL C C 13 173.71 0.01 . 1 . . . . . . . . 6252 1 835 . 1 1 162 162 ILE H H 1 8.42 0.01 . 1 . . . . . . . . 6252 1 836 . 1 1 162 162 ILE N N 15 126.39 0.24 . 1 . . . . . . . . 6252 1 837 . 1 1 162 162 ILE HA H 1 4.87 0.01 . 1 . . . . . . . . 6252 1 838 . 1 1 162 162 ILE CA C 13 59.30 0.01 . 1 . . . . . . . . 6252 1 839 . 1 1 162 162 ILE CB C 13 38.65 0.01 . 1 . . . . . . . . 6252 1 840 . 1 1 162 162 ILE C C 13 175.92 0.01 . 1 . . . . . . . . 6252 1 841 . 1 1 163 163 LYS H H 1 9.06 0.01 . 1 . . . . . . . . 6252 1 842 . 1 1 163 163 LYS N N 15 128.05 0.24 . 1 . . . . . . . . 6252 1 843 . 1 1 163 163 LYS HA H 1 4.63 0.01 . 1 . . . . . . . . 6252 1 844 . 1 1 163 163 LYS CA C 13 53.97 0.01 . 1 . . . . . . . . 6252 1 845 . 1 1 163 163 LYS CB C 13 35.30 0.01 . 1 . . . . . . . . 6252 1 846 . 1 1 163 163 LYS C C 13 174.79 0.01 . 1 . . . . . . . . 6252 1 847 . 1 1 164 164 SER H H 1 8.54 0.01 . 1 . . . . . . . . 6252 1 848 . 1 1 164 164 SER N N 15 116.67 0.24 . 1 . . . . . . . . 6252 1 849 . 1 1 164 164 SER HA H 1 4.83 0.01 . 1 . . . . . . . . 6252 1 850 . 1 1 164 164 SER CA C 13 57.15 0.01 . 1 . . . . . . . . 6252 1 851 . 1 1 164 164 SER CB C 13 64.12 0.01 . 1 . . . . . . . . 6252 1 852 . 1 1 164 164 SER C C 13 175.62 0.01 . 1 . . . . . . . . 6252 1 853 . 1 1 165 165 SER H H 1 8.42 0.01 . 1 . . . . . . . . 6252 1 854 . 1 1 165 165 SER N N 15 117.85 0.24 . 1 . . . . . . . . 6252 1 855 . 1 1 165 165 SER CA C 13 58.10 0.01 . 1 . . . . . . . . 6252 1 856 . 1 1 165 165 SER CB C 13 63.60 0.01 . 1 . . . . . . . . 6252 1 857 . 1 1 166 166 SER HA H 1 4.38 0.01 . 1 . . . . . . . . 6252 1 858 . 1 1 166 166 SER CA C 13 58.22 0.01 . 1 . . . . . . . . 6252 1 859 . 1 1 166 166 SER CB C 13 63.50 0.01 . 1 . . . . . . . . 6252 1 860 . 1 1 166 166 SER C C 13 175.09 0.01 . 1 . . . . . . . . 6252 1 861 . 1 1 167 167 GLY H H 1 8.28 0.01 . 1 . . . . . . . . 6252 1 862 . 1 1 167 167 GLY N N 15 110.26 0.24 . 1 . . . . . . . . 6252 1 863 . 1 1 167 167 GLY HA2 H 1 3.89 0.01 . 1 . . . . . . . . 6252 1 864 . 1 1 167 167 GLY HA3 H 1 3.89 0.01 . 1 . . . . . . . . 6252 1 865 . 1 1 167 167 GLY CA C 13 45.02 0.01 . 1 . . . . . . . . 6252 1 866 . 1 1 167 167 GLY C C 13 174.17 0.01 . 1 . . . . . . . . 6252 1 867 . 1 1 168 168 GLN H H 1 8.19 0.01 . 1 . . . . . . . . 6252 1 868 . 1 1 168 168 GLN N N 15 119.51 0.24 . 1 . . . . . . . . 6252 1 869 . 1 1 168 168 GLN HA H 1 4.28 0.01 . 1 . . . . . . . . 6252 1 870 . 1 1 168 168 GLN CA C 13 55.52 0.01 . 1 . . . . . . . . 6252 1 871 . 1 1 168 168 GLN CB C 13 29.19 0.01 . 1 . . . . . . . . 6252 1 872 . 1 1 168 168 GLN C C 13 175.62 0.01 . 1 . . . . . . . . 6252 1 873 . 1 1 169 169 ASP H H 1 8.34 0.01 . 1 . . . . . . . . 6252 1 874 . 1 1 169 169 ASP N N 15 121.41 0.24 . 1 . . . . . . . . 6252 1 875 . 1 1 169 169 ASP HA H 1 4.54 0.01 . 1 . . . . . . . . 6252 1 876 . 1 1 169 169 ASP CA C 13 53.97 0.01 . 1 . . . . . . . . 6252 1 877 . 1 1 169 169 ASP CB C 13 41.15 0.01 . 1 . . . . . . . . 6252 1 878 . 1 1 169 169 ASP C C 13 175.53 0.01 . 1 . . . . . . . . 6252 1 879 . 1 1 170 170 GLY H H 1 7.82 0.01 . 1 . . . . . . . . 6252 1 880 . 1 1 170 170 GLY N N 15 115.24 0.24 . 1 . . . . . . . . 6252 1 881 . 1 1 170 170 GLY CA C 13 45.91 0.01 . 1 . . . . . . . . 6252 1 882 . 1 1 170 170 GLY C C 13 179.02 0.01 . 1 . . . . . . . . 6252 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 603 6252 1 1 13 6252 1 2 604 6252 1 2 14 6252 1 3 653 6252 1 3 43 6252 1 4 654 6252 1 4 44 6252 1 5 463 6252 1 5 67 6252 1 6 464 6252 1 6 68 6252 1 7 210 6252 1 7 91 6252 1 8 211 6252 1 8 92 6252 1 9 163 6252 1 9 121 6252 1 10 164 6252 1 10 122 6252 1 11 739 6252 1 11 145 6252 1 12 740 6252 1 12 146 6252 1 13 510 6252 1 13 288 6252 1 14 511 6252 1 14 289 6252 1 15 609 6252 1 15 324 6252 1 16 610 6252 1 16 325 6252 1 17 817 6252 1 17 793 6252 1 18 818 6252 1 18 794 6252 1 stop_ save_