data_17555 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17555 _Entry.Title ; Chemical shift assignments of the VBS1 domain of talin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-03-30 _Entry.Accession_date 2011-03-30 _Entry.Last_release_date 2012-05-10 _Entry.Original_release_date 2012-05-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ben Goult . T. . 17555 2 Alex Gingras . R. . 17555 3 Neil Bate . . . 17555 4 Asoka Banno . . . 17555 5 Mark Ginsberg . H. . 17555 6 Gordon Roberts . C.K. . 17555 7 Igor Barsukov . L. . 17555 8 David Critchley . R. . 17555 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17555 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 324 17555 '15N chemical shifts' 163 17555 '1H chemical shifts' 162 17555 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 . . 2012-05-10 2011-03-30 original author . 17555 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1SJ7 'Structure of VBS1' 17555 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17555 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22351767 _Citation.Full_citation . _Citation.Title 'Subcellular Localization of Talin Is Regulated by Inter-domain Interactions.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 287 _Citation.Journal_issue 17 _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 13799 _Citation.Page_last 13812 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Asoka Banno . . . 17555 1 2 Benjamin Goult . T. . 17555 1 3 Hosup Lee . . . 17555 1 4 Neil Bate . . . 17555 1 5 David Critchley . R. . 17555 1 6 Mark Ginsberg . H. . 17555 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID cytoskeleton 17555 1 'helical bundle' 17555 1 integrin 17555 1 intra-molecular 17555 1 Talin 17555 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17555 _Assembly.ID 1 _Assembly.Name vbs1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 18572 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 vbs1 1 $vbs1 A . yes native no no . . . 17555 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_vbs1 _Entity.Sf_category entity _Entity.Sf_framecode vbs1 _Entity.Entry_ID 17555 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name vbs1 _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 ; GIDPFTRGHMPPLTSAQQAL TGTINSSMQAVQAAQATLDD FETLPPLGQDAASKAWRKNK MDESKHEIHSQVDAITAGTA SVVNLTAGDPAETDYTAVGC AVTTISSNLTEMSRGVKLLA ALLEDEGGNGRPLLQAAKGL AGAVSELLRSAQPASAEPRQ NLLQAAGNVGQASGELLQQI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-6 represent a non-native affinity tag' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 180 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1SJ7 . "Crystal Structure Of Talin Rod 482-655" . . . . . 96.67 174 100.00 100.00 2.22e-119 . . . . 17555 1 2 no PDB 1SJ8 . "Crystal Structure Of Talin Residues 482-789" . . . . . 96.67 308 100.00 100.00 7.74e-119 . . . . 17555 1 3 no DBJ BAA82979 . "KIAA1027 protein [Homo sapiens]" . . . . . 96.67 2541 98.85 100.00 2.11e-106 . . . . 17555 1 4 no DBJ BAC65702 . "mKIAA1027 protein [Mus musculus]" . . . . . 96.67 2564 100.00 100.00 9.15e-108 . . . . 17555 1 5 no DBJ BAE27781 . "unnamed protein product [Mus musculus]" . . . . . 96.67 2541 100.00 100.00 9.72e-108 . . . . 17555 1 6 no DBJ BAG09941 . "talin-1 [synthetic construct]" . . . . . 96.67 2541 98.85 100.00 2.11e-106 . . . . 17555 1 7 no EMBL CAA39588 . "talin [Mus musculus]" . . . . . 96.67 2541 100.00 100.00 9.72e-108 . . . . 17555 1 8 no GB AAD13152 . "talin [Homo sapiens]" . . . . . 96.67 2541 98.85 100.00 2.15e-106 . . . . 17555 1 9 no GB AAF23322 . "talin [Homo sapiens]" . . . . . 96.67 2541 98.85 100.00 2.03e-106 . . . . 17555 1 10 no GB AAF27330 . "talin [Homo sapiens]" . . . . . 96.67 2540 98.85 100.00 2.05e-106 . . . . 17555 1 11 no GB AAH42923 . "Talin 1 [Homo sapiens]" . . . . . 96.67 2541 98.85 100.00 2.05e-106 . . . . 17555 1 12 no GB AAI50811 . "Talin 1 [Mus musculus]" . . . . . 96.67 2541 100.00 100.00 9.72e-108 . . . . 17555 1 13 no PRF 1617167A . talin . . . . . 96.67 2541 100.00 100.00 9.72e-108 . . . . 17555 1 14 no REF NP_001034114 . "talin-1 [Rattus norvegicus]" . . . . . 96.67 2541 98.28 98.85 7.37e-106 . . . . 17555 1 15 no REF NP_001192357 . "talin-1 [Bos taurus]" . . . . . 96.67 2541 98.85 100.00 1.77e-106 . . . . 17555 1 16 no REF NP_006280 . "talin-1 [Homo sapiens]" . . . . . 96.67 2541 98.85 100.00 2.11e-106 . . . . 17555 1 17 no REF NP_035732 . "talin-1 [Mus musculus]" . . . . . 96.67 2541 100.00 100.00 9.72e-108 . . . . 17555 1 18 no REF XP_001084941 . "PREDICTED: talin-1 [Macaca mulatta]" . . . . . 96.67 2428 98.85 100.00 1.34e-106 . . . . 17555 1 19 no SP P26039 . "RecName: Full=Talin-1" . . . . . 96.67 2541 100.00 100.00 9.72e-108 . . . . 17555 1 20 no SP Q9Y490 . "RecName: Full=Talin-1" . . . . . 96.67 2541 98.85 100.00 2.11e-106 . . . . 17555 1 21 no TPG DAA26829 . "TPA: talin 1 [Bos taurus]" . . . . . 96.67 2541 98.85 100.00 1.79e-106 . . . . 17555 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 . GLY . 17555 1 2 . ILE . 17555 1 3 . ASP . 17555 1 4 . PRO . 17555 1 5 . PHE . 17555 1 6 . THR . 17555 1 7 . ARG . 17555 1 8 . GLY . 17555 1 9 . HIS . 17555 1 10 . MET . 17555 1 11 . PRO . 17555 1 12 . PRO . 17555 1 13 . LEU . 17555 1 14 . THR . 17555 1 15 . SER . 17555 1 16 . ALA . 17555 1 17 . GLN . 17555 1 18 . GLN . 17555 1 19 . ALA . 17555 1 20 . LEU . 17555 1 21 . THR . 17555 1 22 . GLY . 17555 1 23 . THR . 17555 1 24 . ILE . 17555 1 25 . ASN . 17555 1 26 . SER . 17555 1 27 . SER . 17555 1 28 . MET . 17555 1 29 . GLN . 17555 1 30 . ALA . 17555 1 31 . VAL . 17555 1 32 . GLN . 17555 1 33 . ALA . 17555 1 34 . ALA . 17555 1 35 . GLN . 17555 1 36 . ALA . 17555 1 37 . THR . 17555 1 38 . LEU . 17555 1 39 . ASP . 17555 1 40 . ASP . 17555 1 41 . PHE . 17555 1 42 . GLU . 17555 1 43 . THR . 17555 1 44 . LEU . 17555 1 45 . PRO . 17555 1 46 . PRO . 17555 1 47 . LEU . 17555 1 48 . GLY . 17555 1 49 . GLN . 17555 1 50 . ASP . 17555 1 51 . ALA . 17555 1 52 . ALA . 17555 1 53 . SER . 17555 1 54 . LYS . 17555 1 55 . ALA . 17555 1 56 . TRP . 17555 1 57 . ARG . 17555 1 58 . LYS . 17555 1 59 . ASN . 17555 1 60 . LYS . 17555 1 61 . MET . 17555 1 62 . ASP . 17555 1 63 . GLU . 17555 1 64 . SER . 17555 1 65 . LYS . 17555 1 66 . HIS . 17555 1 67 . GLU . 17555 1 68 . ILE . 17555 1 69 . HIS . 17555 1 70 . SER . 17555 1 71 . GLN . 17555 1 72 . VAL . 17555 1 73 . ASP . 17555 1 74 . ALA . 17555 1 75 . ILE . 17555 1 76 . THR . 17555 1 77 . ALA . 17555 1 78 . GLY . 17555 1 79 . THR . 17555 1 80 . ALA . 17555 1 81 . SER . 17555 1 82 . VAL . 17555 1 83 . VAL . 17555 1 84 . ASN . 17555 1 85 . LEU . 17555 1 86 . THR . 17555 1 87 . ALA . 17555 1 88 . GLY . 17555 1 89 . ASP . 17555 1 90 . PRO . 17555 1 91 . ALA . 17555 1 92 . GLU . 17555 1 93 . THR . 17555 1 94 . ASP . 17555 1 95 . TYR . 17555 1 96 . THR . 17555 1 97 . ALA . 17555 1 98 . VAL . 17555 1 99 . GLY . 17555 1 100 . CYS . 17555 1 101 . ALA . 17555 1 102 . VAL . 17555 1 103 . THR . 17555 1 104 . THR . 17555 1 105 . ILE . 17555 1 106 . SER . 17555 1 107 . SER . 17555 1 108 . ASN . 17555 1 109 . LEU . 17555 1 110 . THR . 17555 1 111 . GLU . 17555 1 112 . MET . 17555 1 113 . SER . 17555 1 114 . ARG . 17555 1 115 . GLY . 17555 1 116 . VAL . 17555 1 117 . LYS . 17555 1 118 . LEU . 17555 1 119 . LEU . 17555 1 120 . ALA . 17555 1 121 . ALA . 17555 1 122 . LEU . 17555 1 123 . LEU . 17555 1 124 . GLU . 17555 1 125 . ASP . 17555 1 126 . GLU . 17555 1 127 . GLY . 17555 1 128 . GLY . 17555 1 129 . ASN . 17555 1 130 . GLY . 17555 1 131 . ARG . 17555 1 132 . PRO . 17555 1 133 . LEU . 17555 1 134 . LEU . 17555 1 135 . GLN . 17555 1 136 . ALA . 17555 1 137 . ALA . 17555 1 138 . LYS . 17555 1 139 . GLY . 17555 1 140 . LEU . 17555 1 141 . ALA . 17555 1 142 . GLY . 17555 1 143 . ALA . 17555 1 144 . VAL . 17555 1 145 . SER . 17555 1 146 . GLU . 17555 1 147 . LEU . 17555 1 148 . LEU . 17555 1 149 . ARG . 17555 1 150 . SER . 17555 1 151 . ALA . 17555 1 152 . GLN . 17555 1 153 . PRO . 17555 1 154 . ALA . 17555 1 155 . SER . 17555 1 156 . ALA . 17555 1 157 . GLU . 17555 1 158 . PRO . 17555 1 159 . ARG . 17555 1 160 . GLN . 17555 1 161 . ASN . 17555 1 162 . LEU . 17555 1 163 . LEU . 17555 1 164 . GLN . 17555 1 165 . ALA . 17555 1 166 . ALA . 17555 1 167 . GLY . 17555 1 168 . ASN . 17555 1 169 . VAL . 17555 1 170 . GLY . 17555 1 171 . GLN . 17555 1 172 . ALA . 17555 1 173 . SER . 17555 1 174 . GLY . 17555 1 175 . GLU . 17555 1 176 . LEU . 17555 1 177 . LEU . 17555 1 178 . GLN . 17555 1 179 . GLN . 17555 1 180 . ILE . 17555 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 . GLY 1 1 17555 1 . ILE 2 2 17555 1 . ASP 3 3 17555 1 . PRO 4 4 17555 1 . PHE 5 5 17555 1 . THR 6 6 17555 1 . ARG 7 7 17555 1 . GLY 8 8 17555 1 . HIS 9 9 17555 1 . MET 10 10 17555 1 . PRO 11 11 17555 1 . PRO 12 12 17555 1 . LEU 13 13 17555 1 . THR 14 14 17555 1 . SER 15 15 17555 1 . ALA 16 16 17555 1 . GLN 17 17 17555 1 . GLN 18 18 17555 1 . ALA 19 19 17555 1 . LEU 20 20 17555 1 . THR 21 21 17555 1 . GLY 22 22 17555 1 . THR 23 23 17555 1 . ILE 24 24 17555 1 . ASN 25 25 17555 1 . SER 26 26 17555 1 . SER 27 27 17555 1 . MET 28 28 17555 1 . GLN 29 29 17555 1 . ALA 30 30 17555 1 . VAL 31 31 17555 1 . GLN 32 32 17555 1 . ALA 33 33 17555 1 . ALA 34 34 17555 1 . GLN 35 35 17555 1 . ALA 36 36 17555 1 . THR 37 37 17555 1 . LEU 38 38 17555 1 . ASP 39 39 17555 1 . ASP 40 40 17555 1 . PHE 41 41 17555 1 . GLU 42 42 17555 1 . THR 43 43 17555 1 . LEU 44 44 17555 1 . PRO 45 45 17555 1 . PRO 46 46 17555 1 . LEU 47 47 17555 1 . GLY 48 48 17555 1 . GLN 49 49 17555 1 . ASP 50 50 17555 1 . ALA 51 51 17555 1 . ALA 52 52 17555 1 . SER 53 53 17555 1 . LYS 54 54 17555 1 . ALA 55 55 17555 1 . TRP 56 56 17555 1 . ARG 57 57 17555 1 . LYS 58 58 17555 1 . ASN 59 59 17555 1 . LYS 60 60 17555 1 . MET 61 61 17555 1 . ASP 62 62 17555 1 . GLU 63 63 17555 1 . SER 64 64 17555 1 . LYS 65 65 17555 1 . HIS 66 66 17555 1 . GLU 67 67 17555 1 . ILE 68 68 17555 1 . HIS 69 69 17555 1 . SER 70 70 17555 1 . GLN 71 71 17555 1 . VAL 72 72 17555 1 . ASP 73 73 17555 1 . ALA 74 74 17555 1 . ILE 75 75 17555 1 . THR 76 76 17555 1 . ALA 77 77 17555 1 . GLY 78 78 17555 1 . THR 79 79 17555 1 . ALA 80 80 17555 1 . SER 81 81 17555 1 . VAL 82 82 17555 1 . VAL 83 83 17555 1 . ASN 84 84 17555 1 . LEU 85 85 17555 1 . THR 86 86 17555 1 . ALA 87 87 17555 1 . GLY 88 88 17555 1 . ASP 89 89 17555 1 . PRO 90 90 17555 1 . ALA 91 91 17555 1 . GLU 92 92 17555 1 . THR 93 93 17555 1 . ASP 94 94 17555 1 . TYR 95 95 17555 1 . THR 96 96 17555 1 . ALA 97 97 17555 1 . VAL 98 98 17555 1 . GLY 99 99 17555 1 . CYS 100 100 17555 1 . ALA 101 101 17555 1 . VAL 102 102 17555 1 . THR 103 103 17555 1 . THR 104 104 17555 1 . ILE 105 105 17555 1 . SER 106 106 17555 1 . SER 107 107 17555 1 . ASN 108 108 17555 1 . LEU 109 109 17555 1 . THR 110 110 17555 1 . GLU 111 111 17555 1 . MET 112 112 17555 1 . SER 113 113 17555 1 . ARG 114 114 17555 1 . GLY 115 115 17555 1 . VAL 116 116 17555 1 . LYS 117 117 17555 1 . LEU 118 118 17555 1 . LEU 119 119 17555 1 . ALA 120 120 17555 1 . ALA 121 121 17555 1 . LEU 122 122 17555 1 . LEU 123 123 17555 1 . GLU 124 124 17555 1 . ASP 125 125 17555 1 . GLU 126 126 17555 1 . GLY 127 127 17555 1 . GLY 128 128 17555 1 . ASN 129 129 17555 1 . GLY 130 130 17555 1 . ARG 131 131 17555 1 . PRO 132 132 17555 1 . LEU 133 133 17555 1 . LEU 134 134 17555 1 . GLN 135 135 17555 1 . ALA 136 136 17555 1 . ALA 137 137 17555 1 . LYS 138 138 17555 1 . GLY 139 139 17555 1 . LEU 140 140 17555 1 . ALA 141 141 17555 1 . GLY 142 142 17555 1 . ALA 143 143 17555 1 . VAL 144 144 17555 1 . SER 145 145 17555 1 . GLU 146 146 17555 1 . LEU 147 147 17555 1 . LEU 148 148 17555 1 . ARG 149 149 17555 1 . SER 150 150 17555 1 . ALA 151 151 17555 1 . GLN 152 152 17555 1 . PRO 153 153 17555 1 . ALA 154 154 17555 1 . SER 155 155 17555 1 . ALA 156 156 17555 1 . GLU 157 157 17555 1 . PRO 158 158 17555 1 . ARG 159 159 17555 1 . GLN 160 160 17555 1 . ASN 161 161 17555 1 . LEU 162 162 17555 1 . LEU 163 163 17555 1 . GLN 164 164 17555 1 . ALA 165 165 17555 1 . ALA 166 166 17555 1 . GLY 167 167 17555 1 . ASN 168 168 17555 1 . VAL 169 169 17555 1 . GLY 170 170 17555 1 . GLN 171 171 17555 1 . ALA 172 172 17555 1 . SER 173 173 17555 1 . GLY 174 174 17555 1 . GLU 175 175 17555 1 . LEU 176 176 17555 1 . LEU 177 177 17555 1 . GLN 178 178 17555 1 . GLN 179 179 17555 1 . ILE 180 180 17555 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 17555 _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 $vbs1 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 17555 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 17555 _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 $vbs1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)* . . . . . . . . . . . . . . . pet151 . . . . . . 17555 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17555 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 vbs1 '[U-100% 13C; U-100% 15N]' . . 1 $vbs1 . . 0.8 . . mM 0.05 . . . 17555 1 2 D2O '[U-100% 2H]' . . . . . . 10 . . % 0.1 . . . 17555 1 3 DTT 'natural abundance' . . . . . . 2 . . mM 0.01 . . . 17555 1 4 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM 0.1 . . . 17555 1 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM 0.1 . . . 17555 1 6 H2O 'natural abundance' . . . . . . 90 . . % 0.1 . . . 17555 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17555 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 17555 1 pH 6.5 . pH 17555 1 pressure 1 . atm 17555 1 temperature 298 . K 17555 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17555 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17555 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17555 1 processing 17555 1 stop_ save_ save_CCPNAnalysis _Software.Sf_category software _Software.Sf_framecode CCPNAnalysis _Software.Entry_ID 17555 _Software.ID 2 _Software.Name CCPNAnalysis _Software.Version 1.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 17555 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17555 2 'peak picking' 17555 2 processing 17555 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17555 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17555 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 17555 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 17555 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17555 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17555 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17555 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17555 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17555 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17555 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17555 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17555 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17555 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17555 1 2 '3D CBCA(CO)NH' . . . 17555 1 3 '3D HNCA' . . . 17555 1 4 '3D HNCACB' . . . 17555 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ILE H H 1 7.934 0.020 . 1 . . . . 2 ILE H . 17555 1 2 . 1 1 2 2 ILE N N 15 116.385 0.200 . 1 . . . . 2 ILE N . 17555 1 3 . 1 1 3 3 ASP N N 15 118.936 0.032 . 1 . . . . 3 ASP N . 17555 1 4 . 1 1 7 7 ARG H H 1 8.312 0.002 . 1 . . . . 7 ARG H . 17555 1 5 . 1 1 7 7 ARG CA C 13 56.400 0.200 . 1 . . . . 7 ARG CA . 17555 1 6 . 1 1 7 7 ARG CB C 13 30.634 0.200 . 1 . . . . 7 ARG CB . 17555 1 7 . 1 1 7 7 ARG N N 15 122.117 0.014 . 1 . . . . 7 ARG N . 17555 1 8 . 1 1 8 8 GLY H H 1 8.423 0.003 . 1 . . . . 8 GLY H . 17555 1 9 . 1 1 8 8 GLY CA C 13 45.239 0.200 . 1 . . . . 8 GLY CA . 17555 1 10 . 1 1 8 8 GLY N N 15 110.164 0.016 . 1 . . . . 8 GLY N . 17555 1 11 . 1 1 9 9 HIS H H 1 8.167 0.003 . 1 . . . . 9 HIS H . 17555 1 12 . 1 1 9 9 HIS CA C 13 55.749 0.200 . 1 . . . . 9 HIS CA . 17555 1 13 . 1 1 9 9 HIS CB C 13 30.453 0.200 . 1 . . . . 9 HIS CB . 17555 1 14 . 1 1 9 9 HIS N N 15 119.137 0.006 . 1 . . . . 9 HIS N . 17555 1 15 . 1 1 10 10 MET H H 1 8.210 0.001 . 1 . . . . 10 MET H . 17555 1 16 . 1 1 10 10 MET CA C 13 53.143 0.200 . 1 . . . . 10 MET CA . 17555 1 17 . 1 1 10 10 MET CB C 13 32.440 0.200 . 1 . . . . 10 MET CB . 17555 1 18 . 1 1 10 10 MET N N 15 123.306 0.006 . 1 . . . . 10 MET N . 17555 1 19 . 1 1 12 12 PRO CA C 13 62.741 0.200 . 1 . . . . 12 PRO CA . 17555 1 20 . 1 1 12 12 PRO CB C 13 31.787 0.200 . 1 . . . . 12 PRO CB . 17555 1 21 . 1 1 13 13 LEU H H 1 8.221 0.005 . 1 . . . . 13 LEU H . 17555 1 22 . 1 1 13 13 LEU CA C 13 54.777 0.200 . 1 . . . . 13 LEU CA . 17555 1 23 . 1 1 13 13 LEU CB C 13 42.854 0.200 . 1 . . . . 13 LEU CB . 17555 1 24 . 1 1 13 13 LEU N N 15 121.834 0.025 . 1 . . . . 13 LEU N . 17555 1 25 . 1 1 14 14 THR H H 1 8.501 0.002 . 1 . . . . 14 THR H . 17555 1 26 . 1 1 14 14 THR CA C 13 61.342 0.200 . 1 . . . . 14 THR CA . 17555 1 27 . 1 1 14 14 THR CB C 13 70.651 0.200 . 1 . . . . 14 THR CB . 17555 1 28 . 1 1 14 14 THR N N 15 113.587 0.022 . 1 . . . . 14 THR N . 17555 1 29 . 1 1 15 15 SER H H 1 8.935 0.200 . 1 . . . . 15 SER H . 17555 1 30 . 1 1 15 15 SER CA C 13 62.184 0.200 . 1 . . . . 15 SER CA . 17555 1 31 . 1 1 15 15 SER CB C 13 62.184 0.200 . 1 . . . . 15 SER CB . 17555 1 32 . 1 1 15 15 SER N N 15 117.319 0.200 . 1 . . . . 15 SER N . 17555 1 33 . 1 1 16 16 ALA H H 1 8.425 0.007 . 1 . . . . 16 ALA H . 17555 1 34 . 1 1 16 16 ALA CA C 13 54.936 0.200 . 1 . . . . 16 ALA CA . 17555 1 35 . 1 1 16 16 ALA N N 15 124.621 0.024 . 1 . . . . 16 ALA N . 17555 1 36 . 1 1 17 17 GLN H H 1 7.542 0.002 . 1 . . . . 17 GLN H . 17555 1 37 . 1 1 17 17 GLN CA C 13 58.894 0.200 . 1 . . . . 17 GLN CA . 17555 1 38 . 1 1 17 17 GLN CB C 13 29.375 0.200 . 1 . . . . 17 GLN CB . 17555 1 39 . 1 1 17 17 GLN N N 15 117.411 0.200 . 1 . . . . 17 GLN N . 17555 1 40 . 1 1 18 18 GLN H H 1 8.738 0.004 . 1 . . . . 18 GLN H . 17555 1 41 . 1 1 18 18 GLN CA C 13 58.969 0.200 . 1 . . . . 18 GLN CA . 17555 1 42 . 1 1 18 18 GLN CB C 13 28.359 0.200 . 1 . . . . 18 GLN CB . 17555 1 43 . 1 1 18 18 GLN N N 15 122.135 0.028 . 1 . . . . 18 GLN N . 17555 1 44 . 1 1 19 19 ALA H H 1 8.056 0.002 . 1 . . . . 19 ALA H . 17555 1 45 . 1 1 19 19 ALA CA C 13 54.951 0.200 . 1 . . . . 19 ALA CA . 17555 1 46 . 1 1 19 19 ALA CB C 13 17.400 0.200 . 1 . . . . 19 ALA CB . 17555 1 47 . 1 1 19 19 ALA N N 15 123.681 0.033 . 1 . . . . 19 ALA N . 17555 1 48 . 1 1 20 20 LEU H H 1 7.702 0.002 . 1 . . . . 20 LEU H . 17555 1 49 . 1 1 20 20 LEU CA C 13 57.912 0.200 . 1 . . . . 20 LEU CA . 17555 1 50 . 1 1 20 20 LEU CB C 13 40.395 0.200 . 1 . . . . 20 LEU CB . 17555 1 51 . 1 1 20 20 LEU N N 15 119.554 0.010 . 1 . . . . 20 LEU N . 17555 1 52 . 1 1 21 21 THR H H 1 8.045 0.002 . 1 . . . . 21 THR H . 17555 1 53 . 1 1 21 21 THR CA C 13 67.222 0.200 . 1 . . . . 21 THR CA . 17555 1 54 . 1 1 21 21 THR CB C 13 68.963 0.200 . 1 . . . . 21 THR CB . 17555 1 55 . 1 1 21 21 THR N N 15 117.312 0.013 . 1 . . . . 21 THR N . 17555 1 56 . 1 1 22 22 GLY H H 1 7.786 0.002 . 1 . . . . 22 GLY H . 17555 1 57 . 1 1 22 22 GLY CA C 13 47.490 0.200 . 1 . . . . 22 GLY CA . 17555 1 58 . 1 1 22 22 GLY N N 15 107.916 0.010 . 1 . . . . 22 GLY N . 17555 1 59 . 1 1 23 23 THR H H 1 8.142 0.200 . 1 . . . . 23 THR H . 17555 1 60 . 1 1 23 23 THR CA C 13 66.858 0.200 . 1 . . . . 23 THR CA . 17555 1 61 . 1 1 23 23 THR CB C 13 68.655 0.200 . 1 . . . . 23 THR CB . 17555 1 62 . 1 1 23 23 THR N N 15 122.557 0.008 . 1 . . . . 23 THR N . 17555 1 63 . 1 1 24 24 ILE H H 1 9.146 0.200 . 1 . . . . 24 ILE H . 17555 1 64 . 1 1 24 24 ILE CA C 13 66.972 0.200 . 1 . . . . 24 ILE CA . 17555 1 65 . 1 1 24 24 ILE CB C 13 37.435 0.200 . 1 . . . . 24 ILE CB . 17555 1 66 . 1 1 24 24 ILE N N 15 122.990 0.200 . 1 . . . . 24 ILE N . 17555 1 67 . 1 1 25 25 ASN H H 1 8.712 0.001 . 1 . . . . 25 ASN H . 17555 1 68 . 1 1 25 25 ASN CA C 13 56.624 0.200 . 1 . . . . 25 ASN CA . 17555 1 69 . 1 1 25 25 ASN CB C 13 37.435 0.200 . 1 . . . . 25 ASN CB . 17555 1 70 . 1 1 25 25 ASN N N 15 119.699 0.058 . 1 . . . . 25 ASN N . 17555 1 71 . 1 1 26 26 SER H H 1 8.247 0.001 . 1 . . . . 26 SER H . 17555 1 72 . 1 1 26 26 SER CA C 13 61.838 0.200 . 1 . . . . 26 SER CA . 17555 1 73 . 1 1 26 26 SER CB C 13 62.484 0.200 . 1 . . . . 26 SER CB . 17555 1 74 . 1 1 26 26 SER N N 15 116.357 0.023 . 1 . . . . 26 SER N . 17555 1 75 . 1 1 27 27 SER H H 1 8.575 0.001 . 1 . . . . 27 SER H . 17555 1 76 . 1 1 27 27 SER CA C 13 64.138 0.200 . 1 . . . . 27 SER CA . 17555 1 77 . 1 1 27 27 SER CB C 13 63.548 0.200 . 1 . . . . 27 SER CB . 17555 1 78 . 1 1 27 27 SER N N 15 122.088 0.008 . 1 . . . . 27 SER N . 17555 1 79 . 1 1 28 28 MET H H 1 9.307 0.001 . 1 . . . . 28 MET H . 17555 1 80 . 1 1 28 28 MET CA C 13 58.817 0.200 . 1 . . . . 28 MET CA . 17555 1 81 . 1 1 28 28 MET CB C 13 31.889 0.200 . 1 . . . . 28 MET CB . 17555 1 82 . 1 1 28 28 MET N N 15 122.189 0.022 . 1 . . . . 28 MET N . 17555 1 83 . 1 1 29 29 GLN H H 1 7.573 0.001 . 1 . . . . 29 GLN H . 17555 1 84 . 1 1 29 29 GLN CA C 13 59.050 0.200 . 1 . . . . 29 GLN CA . 17555 1 85 . 1 1 29 29 GLN CB C 13 27.881 0.200 . 1 . . . . 29 GLN CB . 17555 1 86 . 1 1 29 29 GLN N N 15 119.130 0.014 . 1 . . . . 29 GLN N . 17555 1 87 . 1 1 30 30 ALA H H 1 7.521 0.001 . 1 . . . . 30 ALA H . 17555 1 88 . 1 1 30 30 ALA CA C 13 55.028 0.200 . 1 . . . . 30 ALA CA . 17555 1 89 . 1 1 30 30 ALA CB C 13 17.806 0.200 . 1 . . . . 30 ALA CB . 17555 1 90 . 1 1 30 30 ALA N N 15 123.140 0.023 . 1 . . . . 30 ALA N . 17555 1 91 . 1 1 31 31 VAL H H 1 8.550 0.004 . 1 . . . . 31 VAL H . 17555 1 92 . 1 1 31 31 VAL CA C 13 66.642 0.200 . 1 . . . . 31 VAL CA . 17555 1 93 . 1 1 31 31 VAL CB C 13 31.467 0.200 . 1 . . . . 31 VAL CB . 17555 1 94 . 1 1 31 31 VAL N N 15 122.514 0.019 . 1 . . . . 31 VAL N . 17555 1 95 . 1 1 32 32 GLN H H 1 8.245 0.002 . 1 . . . . 32 GLN H . 17555 1 96 . 1 1 32 32 GLN CA C 13 58.968 0.200 . 1 . . . . 32 GLN CA . 17555 1 97 . 1 1 32 32 GLN CB C 13 27.981 0.200 . 1 . . . . 32 GLN CB . 17555 1 98 . 1 1 32 32 GLN N N 15 119.671 0.013 . 1 . . . . 32 GLN N . 17555 1 99 . 1 1 33 33 ALA H H 1 7.935 0.001 . 1 . . . . 33 ALA H . 17555 1 100 . 1 1 33 33 ALA CA C 13 54.823 0.200 . 1 . . . . 33 ALA CA . 17555 1 101 . 1 1 33 33 ALA CB C 13 17.590 0.200 . 1 . . . . 33 ALA CB . 17555 1 102 . 1 1 33 33 ALA N N 15 122.373 0.014 . 1 . . . . 33 ALA N . 17555 1 103 . 1 1 34 34 ALA H H 1 7.954 0.001 . 1 . . . . 34 ALA H . 17555 1 104 . 1 1 34 34 ALA CA C 13 54.755 0.200 . 1 . . . . 34 ALA CA . 17555 1 105 . 1 1 34 34 ALA CB C 13 17.295 0.200 . 1 . . . . 34 ALA CB . 17555 1 106 . 1 1 34 34 ALA N N 15 122.175 0.012 . 1 . . . . 34 ALA N . 17555 1 107 . 1 1 35 35 GLN H H 1 8.451 0.003 . 1 . . . . 35 GLN H . 17555 1 108 . 1 1 35 35 GLN CA C 13 59.892 0.200 . 1 . . . . 35 GLN CA . 17555 1 109 . 1 1 35 35 GLN CB C 13 28.996 0.200 . 1 . . . . 35 GLN CB . 17555 1 110 . 1 1 35 35 GLN N N 15 117.559 0.010 . 1 . . . . 35 GLN N . 17555 1 111 . 1 1 36 36 ALA H H 1 7.635 0.005 . 1 . . . . 36 ALA H . 17555 1 112 . 1 1 36 36 ALA CA C 13 54.493 0.200 . 1 . . . . 36 ALA CA . 17555 1 113 . 1 1 36 36 ALA CB C 13 17.954 0.200 . 1 . . . . 36 ALA CB . 17555 1 114 . 1 1 36 36 ALA N N 15 119.678 0.060 . 1 . . . . 36 ALA N . 17555 1 115 . 1 1 37 37 THR H H 1 7.776 0.001 . 1 . . . . 37 THR H . 17555 1 116 . 1 1 37 37 THR CA C 13 64.162 0.200 . 1 . . . . 37 THR CA . 17555 1 117 . 1 1 37 37 THR CB C 13 69.611 0.200 . 1 . . . . 37 THR CB . 17555 1 118 . 1 1 37 37 THR N N 15 111.402 0.018 . 1 . . . . 37 THR N . 17555 1 119 . 1 1 38 38 LEU H H 1 7.232 0.001 . 1 . . . . 38 LEU H . 17555 1 120 . 1 1 38 38 LEU CA C 13 56.151 0.200 . 1 . . . . 38 LEU CA . 17555 1 121 . 1 1 38 38 LEU CB C 13 41.673 0.200 . 1 . . . . 38 LEU CB . 17555 1 122 . 1 1 38 38 LEU N N 15 120.454 0.006 . 1 . . . . 38 LEU N . 17555 1 123 . 1 1 39 39 ASP H H 1 7.368 0.200 . 1 . . . . 39 ASP H . 17555 1 124 . 1 1 39 39 ASP CA C 13 55.028 0.200 . 1 . . . . 39 ASP CA . 17555 1 125 . 1 1 39 39 ASP CB C 13 41.757 0.200 . 1 . . . . 39 ASP CB . 17555 1 126 . 1 1 39 39 ASP N N 15 115.649 0.008 . 1 . . . . 39 ASP N . 17555 1 127 . 1 1 40 40 ASP H H 1 7.305 0.001 . 1 . . . . 40 ASP H . 17555 1 128 . 1 1 40 40 ASP CA C 13 52.849 0.200 . 1 . . . . 40 ASP CA . 17555 1 129 . 1 1 40 40 ASP CB C 13 42.718 0.200 . 1 . . . . 40 ASP CB . 17555 1 130 . 1 1 40 40 ASP N N 15 118.550 0.010 . 1 . . . . 40 ASP N . 17555 1 131 . 1 1 41 41 PHE H H 1 8.060 0.001 . 1 . . . . 41 PHE H . 17555 1 132 . 1 1 41 41 PHE CA C 13 57.134 0.200 . 1 . . . . 41 PHE CA . 17555 1 133 . 1 1 41 41 PHE CB C 13 39.964 0.200 . 1 . . . . 41 PHE CB . 17555 1 134 . 1 1 41 41 PHE N N 15 119.999 0.003 . 1 . . . . 41 PHE N . 17555 1 135 . 1 1 42 42 GLU H H 1 7.795 0.001 . 1 . . . . 42 GLU H . 17555 1 136 . 1 1 42 42 GLU CA C 13 55.949 0.200 . 1 . . . . 42 GLU CA . 17555 1 137 . 1 1 42 42 GLU CB C 13 31.143 0.200 . 1 . . . . 42 GLU CB . 17555 1 138 . 1 1 42 42 GLU N N 15 123.117 0.029 . 1 . . . . 42 GLU N . 17555 1 139 . 1 1 43 43 THR H H 1 8.356 0.003 . 1 . . . . 43 THR H . 17555 1 140 . 1 1 43 43 THR CA C 13 62.269 0.200 . 1 . . . . 43 THR CA . 17555 1 141 . 1 1 43 43 THR CB C 13 69.345 0.200 . 1 . . . . 43 THR CB . 17555 1 142 . 1 1 43 43 THR N N 15 119.115 0.012 . 1 . . . . 43 THR N . 17555 1 143 . 1 1 44 44 LEU H H 1 8.505 0.002 . 1 . . . . 44 LEU H . 17555 1 144 . 1 1 44 44 LEU CA C 13 52.700 0.200 . 1 . . . . 44 LEU CA . 17555 1 145 . 1 1 44 44 LEU CB C 13 41.627 0.200 . 1 . . . . 44 LEU CB . 17555 1 146 . 1 1 44 44 LEU N N 15 127.460 0.008 . 1 . . . . 44 LEU N . 17555 1 147 . 1 1 46 46 PRO CA C 13 62.987 0.200 . 1 . . . . 46 PRO CA . 17555 1 148 . 1 1 46 46 PRO CB C 13 31.107 0.200 . 1 . . . . 46 PRO CB . 17555 1 149 . 1 1 47 47 LEU H H 1 8.234 0.002 . 1 . . . . 47 LEU H . 17555 1 150 . 1 1 47 47 LEU CA C 13 54.570 0.200 . 1 . . . . 47 LEU CA . 17555 1 151 . 1 1 47 47 LEU CB C 13 44.481 0.200 . 1 . . . . 47 LEU CB . 17555 1 152 . 1 1 47 47 LEU N N 15 125.024 0.005 . 1 . . . . 47 LEU N . 17555 1 153 . 1 1 48 48 GLY H H 1 8.158 0.200 . 1 . . . . 48 GLY H . 17555 1 154 . 1 1 48 48 GLY CA C 13 44.461 0.200 . 1 . . . . 48 GLY CA . 17555 1 155 . 1 1 48 48 GLY N N 15 108.670 0.016 . 1 . . . . 48 GLY N . 17555 1 156 . 1 1 49 49 GLN H H 1 8.561 0.001 . 1 . . . . 49 GLN H . 17555 1 157 . 1 1 49 49 GLN CA C 13 55.174 0.200 . 1 . . . . 49 GLN CA . 17555 1 158 . 1 1 49 49 GLN CB C 13 28.651 0.200 . 1 . . . . 49 GLN CB . 17555 1 159 . 1 1 49 49 GLN N N 15 118.762 0.018 . 1 . . . . 49 GLN N . 17555 1 160 . 1 1 50 50 ASP H H 1 8.203 0.001 . 1 . . . . 50 ASP H . 17555 1 161 . 1 1 50 50 ASP CA C 13 53.151 0.200 . 1 . . . . 50 ASP CA . 17555 1 162 . 1 1 50 50 ASP CB C 13 41.432 0.200 . 1 . . . . 50 ASP CB . 17555 1 163 . 1 1 50 50 ASP N N 15 118.327 0.013 . 1 . . . . 50 ASP N . 17555 1 164 . 1 1 51 51 ALA H H 1 8.466 0.002 . 1 . . . . 51 ALA H . 17555 1 165 . 1 1 51 51 ALA CA C 13 55.158 0.200 . 1 . . . . 51 ALA CA . 17555 1 166 . 1 1 51 51 ALA CB C 13 18.394 0.200 . 1 . . . . 51 ALA CB . 17555 1 167 . 1 1 51 51 ALA N N 15 122.608 0.012 . 1 . . . . 51 ALA N . 17555 1 168 . 1 1 52 52 ALA H H 1 8.235 0.001 . 1 . . . . 52 ALA H . 17555 1 169 . 1 1 52 52 ALA CA C 13 54.888 0.200 . 1 . . . . 52 ALA CA . 17555 1 170 . 1 1 52 52 ALA CB C 13 17.853 0.200 . 1 . . . . 52 ALA CB . 17555 1 171 . 1 1 52 52 ALA N N 15 121.246 0.031 . 1 . . . . 52 ALA N . 17555 1 172 . 1 1 53 53 SER H H 1 8.039 0.002 . 1 . . . . 53 SER H . 17555 1 173 . 1 1 53 53 SER CA C 13 61.339 0.200 . 1 . . . . 53 SER CA . 17555 1 174 . 1 1 53 53 SER CB C 13 62.947 0.200 . 1 . . . . 53 SER CB . 17555 1 175 . 1 1 53 53 SER N N 15 117.645 0.006 . 1 . . . . 53 SER N . 17555 1 176 . 1 1 54 54 LYS H H 1 8.159 0.200 . 1 . . . . 54 LYS H . 17555 1 177 . 1 1 54 54 LYS CA C 13 59.976 0.200 . 1 . . . . 54 LYS CA . 17555 1 178 . 1 1 54 54 LYS CB C 13 32.229 0.200 . 1 . . . . 54 LYS CB . 17555 1 179 . 1 1 54 54 LYS N N 15 123.010 0.200 . 1 . . . . 54 LYS N . 17555 1 180 . 1 1 55 55 ALA H H 1 8.102 0.001 . 1 . . . . 55 ALA H . 17555 1 181 . 1 1 55 55 ALA CA C 13 54.924 0.200 . 1 . . . . 55 ALA CA . 17555 1 182 . 1 1 55 55 ALA CB C 13 17.849 0.200 . 1 . . . . 55 ALA CB . 17555 1 183 . 1 1 55 55 ALA N N 15 122.122 0.018 . 1 . . . . 55 ALA N . 17555 1 184 . 1 1 56 56 TRP H H 1 8.138 0.200 . 1 . . . . 56 TRP H . 17555 1 185 . 1 1 56 56 TRP CA C 13 62.109 0.200 . 1 . . . . 56 TRP CA . 17555 1 186 . 1 1 56 56 TRP CB C 13 29.118 0.200 . 1 . . . . 56 TRP CB . 17555 1 187 . 1 1 56 56 TRP N N 15 120.192 0.200 . 1 . . . . 56 TRP N . 17555 1 188 . 1 1 57 57 ARG H H 1 8.170 0.001 . 1 . . . . 57 ARG H . 17555 1 189 . 1 1 57 57 ARG CA C 13 60.454 0.200 . 1 . . . . 57 ARG CA . 17555 1 190 . 1 1 57 57 ARG CB C 13 30.732 0.200 . 1 . . . . 57 ARG CB . 17555 1 191 . 1 1 57 57 ARG N N 15 117.298 0.022 . 1 . . . . 57 ARG N . 17555 1 192 . 1 1 58 58 LYS H H 1 7.804 0.001 . 1 . . . . 58 LYS H . 17555 1 193 . 1 1 58 58 LYS CA C 13 59.287 0.200 . 1 . . . . 58 LYS CA . 17555 1 194 . 1 1 58 58 LYS CB C 13 32.101 0.200 . 1 . . . . 58 LYS CB . 17555 1 195 . 1 1 58 58 LYS N N 15 118.938 0.030 . 1 . . . . 58 LYS N . 17555 1 196 . 1 1 59 59 ASN H H 1 8.098 0.001 . 1 . . . . 59 ASN H . 17555 1 197 . 1 1 59 59 ASN CA C 13 56.375 0.200 . 1 . . . . 59 ASN CA . 17555 1 198 . 1 1 59 59 ASN CB C 13 38.115 0.200 . 1 . . . . 59 ASN CB . 17555 1 199 . 1 1 59 59 ASN N N 15 117.159 0.014 . 1 . . . . 59 ASN N . 17555 1 200 . 1 1 60 60 LYS H H 1 8.188 0.001 . 1 . . . . 60 LYS H . 17555 1 201 . 1 1 60 60 LYS CA C 13 56.881 0.200 . 1 . . . . 60 LYS CA . 17555 1 202 . 1 1 60 60 LYS CB C 13 30.636 0.200 . 1 . . . . 60 LYS CB . 17555 1 203 . 1 1 60 60 LYS N N 15 119.375 0.029 . 1 . . . . 60 LYS N . 17555 1 204 . 1 1 61 61 MET CA C 13 60.565 0.200 . 1 . . . . 61 MET CA . 17555 1 205 . 1 1 61 61 MET CB C 13 33.274 0.200 . 1 . . . . 61 MET CB . 17555 1 206 . 1 1 62 62 ASP H H 1 7.912 0.003 . 1 . . . . 62 ASP H . 17555 1 207 . 1 1 62 62 ASP CA C 13 57.832 0.200 . 1 . . . . 62 ASP CA . 17555 1 208 . 1 1 62 62 ASP CB C 13 40.305 0.200 . 1 . . . . 62 ASP CB . 17555 1 209 . 1 1 62 62 ASP N N 15 119.630 0.013 . 1 . . . . 62 ASP N . 17555 1 210 . 1 1 63 63 GLU H H 1 8.327 0.002 . 1 . . . . 63 GLU H . 17555 1 211 . 1 1 63 63 GLU CA C 13 59.445 0.200 . 1 . . . . 63 GLU CA . 17555 1 212 . 1 1 63 63 GLU CB C 13 30.219 0.200 . 1 . . . . 63 GLU CB . 17555 1 213 . 1 1 63 63 GLU N N 15 120.394 0.020 . 1 . . . . 63 GLU N . 17555 1 214 . 1 1 64 64 SER H H 1 8.264 0.001 . 1 . . . . 64 SER H . 17555 1 215 . 1 1 64 64 SER CA C 13 62.532 0.200 . 1 . . . . 64 SER CA . 17555 1 216 . 1 1 64 64 SER CB C 13 63.331 0.200 . 1 . . . . 64 SER CB . 17555 1 217 . 1 1 64 64 SER N N 15 115.052 0.005 . 1 . . . . 64 SER N . 17555 1 218 . 1 1 65 65 LYS H H 1 8.168 0.001 . 1 . . . . 65 LYS H . 17555 1 219 . 1 1 65 65 LYS CA C 13 61.321 0.200 . 1 . . . . 65 LYS CA . 17555 1 220 . 1 1 65 65 LYS CB C 13 32.618 0.200 . 1 . . . . 65 LYS CB . 17555 1 221 . 1 1 65 65 LYS N N 15 120.334 0.008 . 1 . . . . 65 LYS N . 17555 1 222 . 1 1 66 66 HIS H H 1 7.566 0.002 . 1 . . . . 66 HIS H . 17555 1 223 . 1 1 66 66 HIS CA C 13 59.438 0.200 . 1 . . . . 66 HIS CA . 17555 1 224 . 1 1 66 66 HIS CB C 13 28.843 0.200 . 1 . . . . 66 HIS CB . 17555 1 225 . 1 1 66 66 HIS N N 15 116.803 0.018 . 1 . . . . 66 HIS N . 17555 1 226 . 1 1 67 67 GLU H H 1 8.276 0.200 . 1 . . . . 67 GLU H . 17555 1 227 . 1 1 67 67 GLU CA C 13 59.681 0.200 . 1 . . . . 67 GLU CA . 17555 1 228 . 1 1 67 67 GLU CB C 13 29.306 0.200 . 1 . . . . 67 GLU CB . 17555 1 229 . 1 1 67 67 GLU N N 15 120.911 0.200 . 1 . . . . 67 GLU N . 17555 1 230 . 1 1 68 68 ILE H H 1 8.710 0.004 . 1 . . . . 68 ILE H . 17555 1 231 . 1 1 68 68 ILE CA C 13 64.998 0.200 . 1 . . . . 68 ILE CA . 17555 1 232 . 1 1 68 68 ILE CB C 13 38.575 0.200 . 1 . . . . 68 ILE CB . 17555 1 233 . 1 1 68 68 ILE N N 15 119.599 0.009 . 1 . . . . 68 ILE N . 17555 1 234 . 1 1 69 69 HIS H H 1 7.961 0.001 . 1 . . . . 69 HIS H . 17555 1 235 . 1 1 69 69 HIS CA C 13 59.849 0.200 . 1 . . . . 69 HIS CA . 17555 1 236 . 1 1 69 69 HIS CB C 13 28.319 0.200 . 1 . . . . 69 HIS CB . 17555 1 237 . 1 1 69 69 HIS N N 15 117.160 0.022 . 1 . . . . 69 HIS N . 17555 1 238 . 1 1 70 70 SER H H 1 7.775 0.002 . 1 . . . . 70 SER H . 17555 1 239 . 1 1 70 70 SER CA C 13 61.998 0.200 . 1 . . . . 70 SER CA . 17555 1 240 . 1 1 70 70 SER CB C 13 62.763 0.200 . 1 . . . . 70 SER CB . 17555 1 241 . 1 1 70 70 SER N N 15 114.489 0.021 . 1 . . . . 70 SER N . 17555 1 242 . 1 1 71 71 GLN H H 1 8.363 0.001 . 1 . . . . 71 GLN H . 17555 1 243 . 1 1 71 71 GLN CA C 13 58.964 0.200 . 1 . . . . 71 GLN CA . 17555 1 244 . 1 1 71 71 GLN CB C 13 26.400 0.200 . 1 . . . . 71 GLN CB . 17555 1 245 . 1 1 71 71 GLN N N 15 124.261 0.034 . 1 . . . . 71 GLN N . 17555 1 246 . 1 1 72 72 VAL H H 1 8.782 0.003 . 1 . . . . 72 VAL H . 17555 1 247 . 1 1 72 72 VAL CA C 13 67.433 0.200 . 1 . . . . 72 VAL CA . 17555 1 248 . 1 1 72 72 VAL CB C 13 31.228 0.200 . 1 . . . . 72 VAL CB . 17555 1 249 . 1 1 72 72 VAL N N 15 120.450 0.006 . 1 . . . . 72 VAL N . 17555 1 250 . 1 1 73 73 ASP H H 1 8.220 0.001 . 1 . . . . 73 ASP H . 17555 1 251 . 1 1 73 73 ASP CA C 13 57.186 0.200 . 1 . . . . 73 ASP CA . 17555 1 252 . 1 1 73 73 ASP CB C 13 39.678 0.200 . 1 . . . . 73 ASP CB . 17555 1 253 . 1 1 73 73 ASP N N 15 120.752 0.014 . 1 . . . . 73 ASP N . 17555 1 254 . 1 1 74 74 ALA H H 1 7.755 0.001 . 1 . . . . 74 ALA H . 17555 1 255 . 1 1 74 74 ALA CA C 13 55.028 0.200 . 1 . . . . 74 ALA CA . 17555 1 256 . 1 1 74 74 ALA CB C 13 18.074 0.200 . 1 . . . . 74 ALA CB . 17555 1 257 . 1 1 74 74 ALA N N 15 122.691 0.021 . 1 . . . . 74 ALA N . 17555 1 258 . 1 1 75 75 ILE H H 1 8.200 0.200 . 1 . . . . 75 ILE H . 17555 1 259 . 1 1 75 75 ILE CA C 13 66.134 0.200 . 1 . . . . 75 ILE CA . 17555 1 260 . 1 1 75 75 ILE CB C 13 38.248 0.200 . 1 . . . . 75 ILE CB . 17555 1 261 . 1 1 75 75 ILE N N 15 121.731 0.200 . 1 . . . . 75 ILE N . 17555 1 262 . 1 1 76 76 THR H H 1 9.180 0.001 . 1 . . . . 76 THR H . 17555 1 263 . 1 1 76 76 THR CA C 13 66.660 0.200 . 1 . . . . 76 THR CA . 17555 1 264 . 1 1 76 76 THR CB C 13 67.832 0.200 . 1 . . . . 76 THR CB . 17555 1 265 . 1 1 76 76 THR N N 15 118.234 0.006 . 1 . . . . 76 THR N . 17555 1 266 . 1 1 77 77 ALA H H 1 8.459 0.001 . 1 . . . . 77 ALA H . 17555 1 267 . 1 1 77 77 ALA CA C 13 55.301 0.200 . 1 . . . . 77 ALA CA . 17555 1 268 . 1 1 77 77 ALA CB C 13 17.821 0.200 . 1 . . . . 77 ALA CB . 17555 1 269 . 1 1 77 77 ALA N N 15 127.561 0.008 . 1 . . . . 77 ALA N . 17555 1 270 . 1 1 78 78 GLY H H 1 8.631 0.001 . 1 . . . . 78 GLY H . 17555 1 271 . 1 1 78 78 GLY CA C 13 46.703 0.200 . 1 . . . . 78 GLY CA . 17555 1 272 . 1 1 78 78 GLY N N 15 108.207 0.020 . 1 . . . . 78 GLY N . 17555 1 273 . 1 1 79 79 THR H H 1 8.235 0.200 . 1 . . . . 79 THR H . 17555 1 274 . 1 1 79 79 THR CA C 13 68.119 0.200 . 1 . . . . 79 THR CA . 17555 1 275 . 1 1 79 79 THR CB C 13 68.543 0.200 . 1 . . . . 79 THR CB . 17555 1 276 . 1 1 79 79 THR N N 15 121.145 0.200 . 1 . . . . 79 THR N . 17555 1 277 . 1 1 80 80 ALA H H 1 7.633 0.200 . 1 . . . . 80 ALA H . 17555 1 278 . 1 1 80 80 ALA CA C 13 55.010 0.200 . 1 . . . . 80 ALA CA . 17555 1 279 . 1 1 80 80 ALA CB C 13 17.219 0.200 . 1 . . . . 80 ALA CB . 17555 1 280 . 1 1 80 80 ALA N N 15 122.831 0.005 . 1 . . . . 80 ALA N . 17555 1 281 . 1 1 81 81 SER H H 1 7.950 0.001 . 1 . . . . 81 SER H . 17555 1 282 . 1 1 81 81 SER CA C 13 62.486 0.200 . 1 . . . . 81 SER CA . 17555 1 283 . 1 1 81 81 SER CB C 13 62.486 0.200 . 1 . . . . 81 SER CB . 17555 1 284 . 1 1 81 81 SER N N 15 114.141 0.006 . 1 . . . . 81 SER N . 17555 1 285 . 1 1 82 82 VAL H H 1 8.137 0.200 . 1 . . . . 82 VAL H . 17555 1 286 . 1 1 82 82 VAL CA C 13 68.310 0.200 . 1 . . . . 82 VAL CA . 17555 1 287 . 1 1 82 82 VAL CB C 13 31.263 0.200 . 1 . . . . 82 VAL CB . 17555 1 288 . 1 1 82 82 VAL N N 15 121.095 0.005 . 1 . . . . 82 VAL N . 17555 1 289 . 1 1 83 83 VAL H H 1 7.798 0.002 . 1 . . . . 83 VAL H . 17555 1 290 . 1 1 83 83 VAL CA C 13 67.432 0.200 . 1 . . . . 83 VAL CA . 17555 1 291 . 1 1 83 83 VAL CB C 13 31.705 0.200 . 1 . . . . 83 VAL CB . 17555 1 292 . 1 1 83 83 VAL N N 15 118.678 0.006 . 1 . . . . 83 VAL N . 17555 1 293 . 1 1 84 84 ASN H H 1 8.471 0.004 . 1 . . . . 84 ASN H . 17555 1 294 . 1 1 84 84 ASN CA C 13 56.365 0.200 . 1 . . . . 84 ASN CA . 17555 1 295 . 1 1 84 84 ASN CB C 13 38.487 0.200 . 1 . . . . 84 ASN CB . 17555 1 296 . 1 1 84 84 ASN N N 15 117.563 0.003 . 1 . . . . 84 ASN N . 17555 1 297 . 1 1 85 85 LEU H H 1 9.086 0.001 . 1 . . . . 85 LEU H . 17555 1 298 . 1 1 85 85 LEU CA C 13 56.888 0.200 . 1 . . . . 85 LEU CA . 17555 1 299 . 1 1 85 85 LEU CB C 13 44.109 0.200 . 1 . . . . 85 LEU CB . 17555 1 300 . 1 1 85 85 LEU N N 15 118.401 0.038 . 1 . . . . 85 LEU N . 17555 1 301 . 1 1 86 86 THR H H 1 7.122 0.200 . 1 . . . . 86 THR H . 17555 1 302 . 1 1 86 86 THR CA C 13 60.954 0.200 . 1 . . . . 86 THR CA . 17555 1 303 . 1 1 86 86 THR CB C 13 69.471 0.200 . 1 . . . . 86 THR CB . 17555 1 304 . 1 1 86 86 THR N N 15 127.437 0.200 . 1 . . . . 86 THR N . 17555 1 305 . 1 1 87 87 ALA H H 1 6.840 0.001 . 1 . . . . 87 ALA H . 17555 1 306 . 1 1 87 87 ALA CA C 13 53.442 0.200 . 1 . . . . 87 ALA CA . 17555 1 307 . 1 1 87 87 ALA CB C 13 19.500 0.200 . 1 . . . . 87 ALA CB . 17555 1 308 . 1 1 87 87 ALA N N 15 122.660 0.021 . 1 . . . . 87 ALA N . 17555 1 309 . 1 1 88 88 GLY H H 1 7.999 0.001 . 1 . . . . 88 GLY H . 17555 1 310 . 1 1 88 88 GLY CA C 13 43.985 0.200 . 1 . . . . 88 GLY CA . 17555 1 311 . 1 1 88 88 GLY N N 15 107.246 0.018 . 1 . . . . 88 GLY N . 17555 1 312 . 1 1 89 89 ASP H H 1 8.449 0.003 . 1 . . . . 89 ASP H . 17555 1 313 . 1 1 89 89 ASP CA C 13 52.268 0.200 . 1 . . . . 89 ASP CA . 17555 1 314 . 1 1 89 89 ASP CB C 13 42.022 0.200 . 1 . . . . 89 ASP CB . 17555 1 315 . 1 1 89 89 ASP N N 15 122.595 0.009 . 1 . . . . 89 ASP N . 17555 1 316 . 1 1 90 90 PRO CA C 13 65.101 0.200 . 1 . . . . 90 PRO CA . 17555 1 317 . 1 1 90 90 PRO CB C 13 32.194 0.200 . 1 . . . . 90 PRO CB . 17555 1 318 . 1 1 91 91 ALA H H 1 8.841 0.004 . 1 . . . . 91 ALA H . 17555 1 319 . 1 1 91 91 ALA CA C 13 54.078 0.200 . 1 . . . . 91 ALA CA . 17555 1 320 . 1 1 91 91 ALA CB C 13 18.709 0.200 . 1 . . . . 91 ALA CB . 17555 1 321 . 1 1 91 91 ALA N N 15 119.884 0.014 . 1 . . . . 91 ALA N . 17555 1 322 . 1 1 92 92 GLU H H 1 7.924 0.002 . 1 . . . . 92 GLU H . 17555 1 323 . 1 1 92 92 GLU CA C 13 55.024 0.200 . 1 . . . . 92 GLU CA . 17555 1 324 . 1 1 92 92 GLU CB C 13 30.627 0.200 . 1 . . . . 92 GLU CB . 17555 1 325 . 1 1 92 92 GLU N N 15 115.306 0.056 . 1 . . . . 92 GLU N . 17555 1 326 . 1 1 95 95 TYR CA C 13 63.219 0.200 . 1 . . . . 95 TYR CA . 17555 1 327 . 1 1 95 95 TYR CB C 13 38.033 0.200 . 1 . . . . 95 TYR CB . 17555 1 328 . 1 1 96 96 THR H H 1 8.292 0.003 . 1 . . . . 96 THR H . 17555 1 329 . 1 1 96 96 THR CA C 13 66.585 0.200 . 1 . . . . 96 THR CA . 17555 1 330 . 1 1 96 96 THR CB C 13 68.050 0.200 . 1 . . . . 96 THR CB . 17555 1 331 . 1 1 96 96 THR N N 15 118.917 0.026 . 1 . . . . 96 THR N . 17555 1 332 . 1 1 97 97 ALA H H 1 7.731 0.001 . 1 . . . . 97 ALA H . 17555 1 333 . 1 1 97 97 ALA CA C 13 54.994 0.200 . 1 . . . . 97 ALA CA . 17555 1 334 . 1 1 97 97 ALA CB C 13 18.318 0.200 . 1 . . . . 97 ALA CB . 17555 1 335 . 1 1 97 97 ALA N N 15 126.854 0.020 . 1 . . . . 97 ALA N . 17555 1 336 . 1 1 98 98 VAL CA C 13 67.350 0.200 . 1 . . . . 98 VAL CA . 17555 1 337 . 1 1 98 98 VAL CB C 13 31.397 0.200 . 1 . . . . 98 VAL CB . 17555 1 338 . 1 1 99 99 GLY H H 1 7.880 0.001 . 1 . . . . 99 GLY H . 17555 1 339 . 1 1 99 99 GLY CA C 13 47.724 0.200 . 1 . . . . 99 GLY CA . 17555 1 340 . 1 1 99 99 GLY N N 15 109.437 0.018 . 1 . . . . 99 GLY N . 17555 1 341 . 1 1 100 100 CYS H H 1 8.049 0.001 . 1 . . . . 100 CYS H . 17555 1 342 . 1 1 100 100 CYS CA C 13 62.967 0.200 . 1 . . . . 100 CYS CA . 17555 1 343 . 1 1 100 100 CYS CB C 13 26.259 0.200 . 1 . . . . 100 CYS CB . 17555 1 344 . 1 1 100 100 CYS N N 15 120.515 0.024 . 1 . . . . 100 CYS N . 17555 1 345 . 1 1 101 101 ALA H H 1 7.669 0.002 . 1 . . . . 101 ALA H . 17555 1 346 . 1 1 101 101 ALA CA C 13 55.514 0.200 . 1 . . . . 101 ALA CA . 17555 1 347 . 1 1 101 101 ALA CB C 13 17.795 0.200 . 1 . . . . 101 ALA CB . 17555 1 348 . 1 1 101 101 ALA N N 15 121.716 0.200 . 1 . . . . 101 ALA N . 17555 1 349 . 1 1 102 102 VAL H H 1 8.300 0.003 . 1 . . . . 102 VAL H . 17555 1 350 . 1 1 102 102 VAL CA C 13 67.462 0.200 . 1 . . . . 102 VAL CA . 17555 1 351 . 1 1 102 102 VAL CB C 13 31.170 0.200 . 1 . . . . 102 VAL CB . 17555 1 352 . 1 1 102 102 VAL N N 15 117.730 0.015 . 1 . . . . 102 VAL N . 17555 1 353 . 1 1 103 103 THR H H 1 8.242 0.002 . 1 . . . . 103 THR H . 17555 1 354 . 1 1 103 103 THR CA C 13 66.308 0.200 . 1 . . . . 103 THR CA . 17555 1 355 . 1 1 103 103 THR CB C 13 68.332 0.200 . 1 . . . . 103 THR CB . 17555 1 356 . 1 1 103 103 THR N N 15 115.577 0.010 . 1 . . . . 103 THR N . 17555 1 357 . 1 1 104 104 THR H H 1 8.189 0.002 . 1 . . . . 104 THR H . 17555 1 358 . 1 1 104 104 THR CA C 13 67.384 0.200 . 1 . . . . 104 THR CA . 17555 1 359 . 1 1 104 104 THR CB C 13 68.317 0.200 . 1 . . . . 104 THR CB . 17555 1 360 . 1 1 104 104 THR N N 15 121.610 0.026 . 1 . . . . 104 THR N . 17555 1 361 . 1 1 105 105 ILE H H 1 8.299 0.003 . 1 . . . . 105 ILE H . 17555 1 362 . 1 1 105 105 ILE CA C 13 66.484 0.200 . 1 . . . . 105 ILE CA . 17555 1 363 . 1 1 105 105 ILE CB C 13 38.824 0.200 . 1 . . . . 105 ILE CB . 17555 1 364 . 1 1 105 105 ILE N N 15 123.478 0.010 . 1 . . . . 105 ILE N . 17555 1 365 . 1 1 106 106 SER H H 1 8.599 0.001 . 1 . . . . 106 SER H . 17555 1 366 . 1 1 106 106 SER CA C 13 62.482 0.200 . 1 . . . . 106 SER CA . 17555 1 367 . 1 1 106 106 SER CB C 13 63.324 0.200 . 1 . . . . 106 SER CB . 17555 1 368 . 1 1 106 106 SER N N 15 113.721 0.007 . 1 . . . . 106 SER N . 17555 1 369 . 1 1 107 107 SER H H 1 8.836 0.004 . 1 . . . . 107 SER H . 17555 1 370 . 1 1 107 107 SER CA C 13 61.928 0.200 . 1 . . . . 107 SER CA . 17555 1 371 . 1 1 107 107 SER CB C 13 62.403 0.200 . 1 . . . . 107 SER CB . 17555 1 372 . 1 1 107 107 SER N N 15 119.769 0.049 . 1 . . . . 107 SER N . 17555 1 373 . 1 1 108 108 ASN H H 1 7.704 0.200 . 1 . . . . 108 ASN H . 17555 1 374 . 1 1 108 108 ASN CA C 13 57.912 0.200 . 1 . . . . 108 ASN CA . 17555 1 375 . 1 1 108 108 ASN CB C 13 40.395 0.200 . 1 . . . . 108 ASN CB . 17555 1 376 . 1 1 108 108 ASN N N 15 119.586 0.200 . 1 . . . . 108 ASN N . 17555 1 377 . 1 1 109 109 LEU H H 1 8.352 0.004 . 1 . . . . 109 LEU H . 17555 1 378 . 1 1 109 109 LEU CA C 13 58.065 0.200 . 1 . . . . 109 LEU CA . 17555 1 379 . 1 1 109 109 LEU CB C 13 41.141 0.200 . 1 . . . . 109 LEU CB . 17555 1 380 . 1 1 109 109 LEU N N 15 121.632 0.054 . 1 . . . . 109 LEU N . 17555 1 381 . 1 1 110 110 THR H H 1 8.517 0.003 . 1 . . . . 110 THR H . 17555 1 382 . 1 1 110 110 THR CA C 13 67.848 0.200 . 1 . . . . 110 THR CA . 17555 1 383 . 1 1 110 110 THR CB C 13 68.166 0.200 . 1 . . . . 110 THR CB . 17555 1 384 . 1 1 110 110 THR N N 15 118.913 0.014 . 1 . . . . 110 THR N . 17555 1 385 . 1 1 111 111 GLU H H 1 7.647 0.001 . 1 . . . . 111 GLU H . 17555 1 386 . 1 1 111 111 GLU CA C 13 59.411 0.200 . 1 . . . . 111 GLU CA . 17555 1 387 . 1 1 111 111 GLU CB C 13 29.457 0.200 . 1 . . . . 111 GLU CB . 17555 1 388 . 1 1 111 111 GLU N N 15 121.437 0.021 . 1 . . . . 111 GLU N . 17555 1 389 . 1 1 112 112 MET H H 1 8.675 0.001 . 1 . . . . 112 MET H . 17555 1 390 . 1 1 112 112 MET CA C 13 58.606 0.200 . 1 . . . . 112 MET CA . 17555 1 391 . 1 1 112 112 MET CB C 13 33.524 0.200 . 1 . . . . 112 MET CB . 17555 1 392 . 1 1 112 112 MET N N 15 122.105 0.017 . 1 . . . . 112 MET N . 17555 1 393 . 1 1 113 113 SER H H 1 8.312 0.001 . 1 . . . . 113 SER H . 17555 1 394 . 1 1 113 113 SER CA C 13 63.287 0.200 . 1 . . . . 113 SER CA . 17555 1 395 . 1 1 113 113 SER CB C 13 62.730 0.200 . 1 . . . . 113 SER CB . 17555 1 396 . 1 1 113 113 SER N N 15 115.320 0.011 . 1 . . . . 113 SER N . 17555 1 397 . 1 1 114 114 ARG H H 1 7.011 0.001 . 1 . . . . 114 ARG H . 17555 1 398 . 1 1 114 114 ARG CA C 13 59.432 0.200 . 1 . . . . 114 ARG CA . 17555 1 399 . 1 1 114 114 ARG CB C 13 29.910 0.200 . 1 . . . . 114 ARG CB . 17555 1 400 . 1 1 114 114 ARG N N 15 120.438 0.012 . 1 . . . . 114 ARG N . 17555 1 401 . 1 1 115 115 GLY H H 1 7.898 0.200 . 1 . . . . 115 GLY H . 17555 1 402 . 1 1 115 115 GLY CA C 13 47.259 0.200 . 1 . . . . 115 GLY CA . 17555 1 403 . 1 1 115 115 GLY N N 15 108.463 0.017 . 1 . . . . 115 GLY N . 17555 1 404 . 1 1 116 116 VAL H H 1 9.153 0.004 . 1 . . . . 116 VAL H . 17555 1 405 . 1 1 116 116 VAL CA C 13 66.492 0.200 . 1 . . . . 116 VAL CA . 17555 1 406 . 1 1 116 116 VAL CB C 13 31.102 0.200 . 1 . . . . 116 VAL CB . 17555 1 407 . 1 1 116 116 VAL N N 15 120.726 0.008 . 1 . . . . 116 VAL N . 17555 1 408 . 1 1 117 117 LYS H H 1 7.624 0.001 . 1 . . . . 117 LYS H . 17555 1 409 . 1 1 117 117 LYS CA C 13 60.635 0.200 . 1 . . . . 117 LYS CA . 17555 1 410 . 1 1 117 117 LYS CB C 13 32.091 0.200 . 1 . . . . 117 LYS CB . 17555 1 411 . 1 1 117 117 LYS N N 15 119.265 0.029 . 1 . . . . 117 LYS N . 17555 1 412 . 1 1 118 118 LEU H H 1 7.299 0.001 . 1 . . . . 118 LEU H . 17555 1 413 . 1 1 118 118 LEU CA C 13 57.926 0.200 . 1 . . . . 118 LEU CA . 17555 1 414 . 1 1 118 118 LEU CB C 13 41.273 0.200 . 1 . . . . 118 LEU CB . 17555 1 415 . 1 1 118 118 LEU N N 15 120.140 0.016 . 1 . . . . 118 LEU N . 17555 1 416 . 1 1 119 119 LEU H H 1 8.675 0.001 . 1 . . . . 119 LEU H . 17555 1 417 . 1 1 119 119 LEU CA C 13 58.307 0.200 . 1 . . . . 119 LEU CA . 17555 1 418 . 1 1 119 119 LEU CB C 13 41.269 0.200 . 1 . . . . 119 LEU CB . 17555 1 419 . 1 1 119 119 LEU N N 15 120.326 0.002 . 1 . . . . 119 LEU N . 17555 1 420 . 1 1 120 120 ALA H H 1 9.081 0.001 . 1 . . . . 120 ALA H . 17555 1 421 . 1 1 120 120 ALA CA C 13 55.708 0.200 . 1 . . . . 120 ALA CA . 17555 1 422 . 1 1 120 120 ALA CB C 13 18.598 0.200 . 1 . . . . 120 ALA CB . 17555 1 423 . 1 1 120 120 ALA N N 15 119.074 0.016 . 1 . . . . 120 ALA N . 17555 1 424 . 1 1 121 121 ALA H H 1 7.410 0.001 . 1 . . . . 121 ALA H . 17555 1 425 . 1 1 121 121 ALA CA C 13 55.028 0.200 . 1 . . . . 121 ALA CA . 17555 1 426 . 1 1 121 121 ALA CB C 13 19.021 0.200 . 1 . . . . 121 ALA CB . 17555 1 427 . 1 1 121 121 ALA N N 15 118.899 0.007 . 1 . . . . 121 ALA N . 17555 1 428 . 1 1 122 122 LEU H H 1 8.436 0.001 . 1 . . . . 122 LEU H . 17555 1 429 . 1 1 122 122 LEU CA C 13 58.196 0.200 . 1 . . . . 122 LEU CA . 17555 1 430 . 1 1 122 122 LEU CB C 13 41.605 0.200 . 1 . . . . 122 LEU CB . 17555 1 431 . 1 1 122 122 LEU N N 15 120.996 0.008 . 1 . . . . 122 LEU N . 17555 1 432 . 1 1 123 123 LEU H H 1 8.666 0.200 . 1 . . . . 123 LEU H . 17555 1 433 . 1 1 123 123 LEU CA C 13 58.036 0.200 . 1 . . . . 123 LEU CA . 17555 1 434 . 1 1 123 123 LEU CB C 13 41.931 0.200 . 1 . . . . 123 LEU CB . 17555 1 435 . 1 1 123 123 LEU N N 15 120.438 0.200 . 1 . . . . 123 LEU N . 17555 1 436 . 1 1 124 124 GLU H H 1 7.990 0.001 . 1 . . . . 124 GLU H . 17555 1 437 . 1 1 124 124 GLU CA C 13 59.139 0.200 . 1 . . . . 124 GLU CA . 17555 1 438 . 1 1 124 124 GLU CB C 13 28.836 0.200 . 1 . . . . 124 GLU CB . 17555 1 439 . 1 1 124 124 GLU N N 15 119.722 0.009 . 1 . . . . 124 GLU N . 17555 1 440 . 1 1 125 125 ASP H H 1 7.924 0.002 . 1 . . . . 125 ASP H . 17555 1 441 . 1 1 125 125 ASP CA C 13 57.150 0.200 . 1 . . . . 125 ASP CA . 17555 1 442 . 1 1 125 125 ASP CB C 13 42.598 0.200 . 1 . . . . 125 ASP CB . 17555 1 443 . 1 1 125 125 ASP N N 15 120.569 0.008 . 1 . . . . 125 ASP N . 17555 1 444 . 1 1 126 126 GLU H H 1 7.380 0.001 . 1 . . . . 126 GLU H . 17555 1 445 . 1 1 126 126 GLU CA C 13 55.968 0.200 . 1 . . . . 126 GLU CA . 17555 1 446 . 1 1 126 126 GLU CB C 13 30.084 0.200 . 1 . . . . 126 GLU CB . 17555 1 447 . 1 1 126 126 GLU N N 15 114.972 0.027 . 1 . . . . 126 GLU N . 17555 1 448 . 1 1 127 127 GLY H H 1 7.843 0.001 . 1 . . . . 127 GLY H . 17555 1 449 . 1 1 127 127 GLY CA C 13 45.376 0.200 . 1 . . . . 127 GLY CA . 17555 1 450 . 1 1 127 127 GLY N N 15 107.261 0.024 . 1 . . . . 127 GLY N . 17555 1 451 . 1 1 128 128 GLY H H 1 8.205 0.001 . 1 . . . . 128 GLY H . 17555 1 452 . 1 1 128 128 GLY CA C 13 44.224 0.200 . 1 . . . . 128 GLY CA . 17555 1 453 . 1 1 128 128 GLY N N 15 109.596 0.016 . 1 . . . . 128 GLY N . 17555 1 454 . 1 1 129 129 ASN H H 1 8.235 0.001 . 1 . . . . 129 ASN H . 17555 1 455 . 1 1 129 129 ASN CA C 13 51.511 0.200 . 1 . . . . 129 ASN CA . 17555 1 456 . 1 1 129 129 ASN CB C 13 39.089 0.200 . 1 . . . . 129 ASN CB . 17555 1 457 . 1 1 129 129 ASN N N 15 116.278 0.034 . 1 . . . . 129 ASN N . 17555 1 458 . 1 1 130 130 GLY H H 1 10.180 0.001 . 1 . . . . 130 GLY H . 17555 1 459 . 1 1 130 130 GLY CA C 13 46.122 0.200 . 1 . . . . 130 GLY CA . 17555 1 460 . 1 1 130 130 GLY N N 15 113.190 0.007 . 1 . . . . 130 GLY N . 17555 1 461 . 1 1 131 131 ARG H H 1 8.376 0.002 . 1 . . . . 131 ARG H . 17555 1 462 . 1 1 131 131 ARG CA C 13 60.830 0.200 . 1 . . . . 131 ARG CA . 17555 1 463 . 1 1 131 131 ARG CB C 13 26.787 0.200 . 1 . . . . 131 ARG CB . 17555 1 464 . 1 1 131 131 ARG N N 15 120.378 0.013 . 1 . . . . 131 ARG N . 17555 1 465 . 1 1 132 132 PRO CA C 13 66.206 0.200 . 1 . . . . 132 PRO CA . 17555 1 466 . 1 1 132 132 PRO CB C 13 30.621 0.200 . 1 . . . . 132 PRO CB . 17555 1 467 . 1 1 133 133 LEU H H 1 7.622 0.200 . 1 . . . . 133 LEU H . 17555 1 468 . 1 1 133 133 LEU CA C 13 58.489 0.200 . 1 . . . . 133 LEU CA . 17555 1 469 . 1 1 133 133 LEU CB C 13 41.668 0.200 . 1 . . . . 133 LEU CB . 17555 1 470 . 1 1 133 133 LEU N N 15 119.804 0.200 . 1 . . . . 133 LEU N . 17555 1 471 . 1 1 134 134 LEU H H 1 7.430 0.002 . 1 . . . . 134 LEU H . 17555 1 472 . 1 1 134 134 LEU CA C 13 58.456 0.200 . 1 . . . . 134 LEU CA . 17555 1 473 . 1 1 134 134 LEU CB C 13 41.221 0.200 . 1 . . . . 134 LEU CB . 17555 1 474 . 1 1 134 134 LEU N N 15 118.231 0.008 . 1 . . . . 134 LEU N . 17555 1 475 . 1 1 135 135 GLN H H 1 8.436 0.005 . 1 . . . . 135 GLN H . 17555 1 476 . 1 1 135 135 GLN CA C 13 58.724 0.200 . 1 . . . . 135 GLN CA . 17555 1 477 . 1 1 135 135 GLN CB C 13 28.491 0.200 . 1 . . . . 135 GLN CB . 17555 1 478 . 1 1 135 135 GLN N N 15 116.795 0.017 . 1 . . . . 135 GLN N . 17555 1 479 . 1 1 136 136 ALA H H 1 8.103 0.001 . 1 . . . . 136 ALA H . 17555 1 480 . 1 1 136 136 ALA CA C 13 54.422 0.200 . 1 . . . . 136 ALA CA . 17555 1 481 . 1 1 136 136 ALA CB C 13 17.705 0.200 . 1 . . . . 136 ALA CB . 17555 1 482 . 1 1 136 136 ALA N N 15 122.735 0.029 . 1 . . . . 136 ALA N . 17555 1 483 . 1 1 137 137 ALA H H 1 8.417 0.002 . 1 . . . . 137 ALA H . 17555 1 484 . 1 1 137 137 ALA CA C 13 55.524 0.200 . 1 . . . . 137 ALA CA . 17555 1 485 . 1 1 137 137 ALA CB C 13 19.703 0.200 . 1 . . . . 137 ALA CB . 17555 1 486 . 1 1 137 137 ALA N N 15 123.388 0.024 . 1 . . . . 137 ALA N . 17555 1 487 . 1 1 138 138 LYS H H 1 8.568 0.001 . 1 . . . . 138 LYS H . 17555 1 488 . 1 1 138 138 LYS CA C 13 60.543 0.200 . 1 . . . . 138 LYS CA . 17555 1 489 . 1 1 138 138 LYS CB C 13 32.130 0.200 . 1 . . . . 138 LYS CB . 17555 1 490 . 1 1 138 138 LYS N N 15 120.359 0.011 . 1 . . . . 138 LYS N . 17555 1 491 . 1 1 139 139 GLY H H 1 8.233 0.200 . 1 . . . . 139 GLY H . 17555 1 492 . 1 1 139 139 GLY CA C 13 46.759 0.200 . 1 . . . . 139 GLY CA . 17555 1 493 . 1 1 139 139 GLY N N 15 108.084 0.023 . 1 . . . . 139 GLY N . 17555 1 494 . 1 1 140 140 LEU H H 1 7.815 0.001 . 1 . . . . 140 LEU H . 17555 1 495 . 1 1 140 140 LEU CA C 13 57.764 0.200 . 1 . . . . 140 LEU CA . 17555 1 496 . 1 1 140 140 LEU CB C 13 41.157 0.200 . 1 . . . . 140 LEU CB . 17555 1 497 . 1 1 140 140 LEU N N 15 123.735 0.014 . 1 . . . . 140 LEU N . 17555 1 498 . 1 1 141 141 ALA H H 1 8.359 0.200 . 1 . . . . 141 ALA H . 17555 1 499 . 1 1 141 141 ALA CA C 13 55.627 0.200 . 1 . . . . 141 ALA CA . 17555 1 500 . 1 1 141 141 ALA CB C 13 17.348 0.200 . 1 . . . . 141 ALA CB . 17555 1 501 . 1 1 141 141 ALA N N 15 121.369 0.200 . 1 . . . . 141 ALA N . 17555 1 502 . 1 1 142 142 GLY H H 1 8.302 0.001 . 1 . . . . 142 GLY H . 17555 1 503 . 1 1 142 142 GLY CA C 13 47.026 0.200 . 1 . . . . 142 GLY CA . 17555 1 504 . 1 1 142 142 GLY N N 15 104.515 0.018 . 1 . . . . 142 GLY N . 17555 1 505 . 1 1 143 143 ALA H H 1 7.894 0.002 . 1 . . . . 143 ALA H . 17555 1 506 . 1 1 143 143 ALA CA C 13 54.587 0.200 . 1 . . . . 143 ALA CA . 17555 1 507 . 1 1 143 143 ALA CB C 13 17.379 0.200 . 1 . . . . 143 ALA CB . 17555 1 508 . 1 1 143 143 ALA N N 15 125.424 0.002 . 1 . . . . 143 ALA N . 17555 1 509 . 1 1 144 144 VAL H H 1 8.664 0.003 . 1 . . . . 144 VAL H . 17555 1 510 . 1 1 144 144 VAL CA C 13 66.976 0.200 . 1 . . . . 144 VAL CA . 17555 1 511 . 1 1 144 144 VAL CB C 13 30.736 0.200 . 1 . . . . 144 VAL CB . 17555 1 512 . 1 1 144 144 VAL N N 15 120.144 0.025 . 1 . . . . 144 VAL N . 17555 1 513 . 1 1 145 145 SER H H 1 8.186 0.001 . 1 . . . . 145 SER H . 17555 1 514 . 1 1 145 145 SER CA C 13 62.719 0.200 . 1 . . . . 145 SER CA . 17555 1 515 . 1 1 145 145 SER CB C 13 63.768 0.200 . 1 . . . . 145 SER CB . 17555 1 516 . 1 1 145 145 SER N N 15 115.508 0.032 . 1 . . . . 145 SER N . 17555 1 517 . 1 1 146 146 GLU H H 1 7.384 0.002 . 1 . . . . 146 GLU H . 17555 1 518 . 1 1 146 146 GLU CA C 13 58.670 0.200 . 1 . . . . 146 GLU CA . 17555 1 519 . 1 1 146 146 GLU CB C 13 29.280 0.200 . 1 . . . . 146 GLU CB . 17555 1 520 . 1 1 146 146 GLU N N 15 118.735 0.015 . 1 . . . . 146 GLU N . 17555 1 521 . 1 1 147 147 LEU H H 1 7.909 0.200 . 1 . . . . 147 LEU H . 17555 1 522 . 1 1 147 147 LEU CA C 13 58.163 0.200 . 1 . . . . 147 LEU CA . 17555 1 523 . 1 1 147 147 LEU CB C 13 41.485 0.200 . 1 . . . . 147 LEU CB . 17555 1 524 . 1 1 147 147 LEU N N 15 122.181 0.200 . 1 . . . . 147 LEU N . 17555 1 525 . 1 1 148 148 LEU H H 1 8.270 0.001 . 1 . . . . 148 LEU H . 17555 1 526 . 1 1 148 148 LEU CA C 13 58.495 0.200 . 1 . . . . 148 LEU CA . 17555 1 527 . 1 1 148 148 LEU CB C 13 40.615 0.200 . 1 . . . . 148 LEU CB . 17555 1 528 . 1 1 148 148 LEU N N 15 117.465 0.013 . 1 . . . . 148 LEU N . 17555 1 529 . 1 1 149 149 ARG H H 1 7.969 0.002 . 1 . . . . 149 ARG H . 17555 1 530 . 1 1 149 149 ARG CA C 13 59.735 0.200 . 1 . . . . 149 ARG CA . 17555 1 531 . 1 1 149 149 ARG CB C 13 30.199 0.200 . 1 . . . . 149 ARG CB . 17555 1 532 . 1 1 149 149 ARG N N 15 116.806 0.011 . 1 . . . . 149 ARG N . 17555 1 533 . 1 1 150 150 SER H H 1 7.857 0.003 . 1 . . . . 150 SER H . 17555 1 534 . 1 1 150 150 SER CA C 13 61.370 0.200 . 1 . . . . 150 SER CA . 17555 1 535 . 1 1 150 150 SER CB C 13 63.426 0.200 . 1 . . . . 150 SER CB . 17555 1 536 . 1 1 150 150 SER N N 15 113.687 0.019 . 1 . . . . 150 SER N . 17555 1 537 . 1 1 151 151 ALA H H 1 7.639 0.002 . 1 . . . . 151 ALA H . 17555 1 538 . 1 1 151 151 ALA CA C 13 51.769 0.200 . 1 . . . . 151 ALA CA . 17555 1 539 . 1 1 151 151 ALA CB C 13 17.640 0.200 . 1 . . . . 151 ALA CB . 17555 1 540 . 1 1 151 151 ALA N N 15 123.288 0.027 . 1 . . . . 151 ALA N . 17555 1 541 . 1 1 152 152 GLN H H 1 7.024 0.001 . 1 . . . . 152 GLN H . 17555 1 542 . 1 1 152 152 GLN CA C 13 54.742 0.200 . 1 . . . . 152 GLN CA . 17555 1 543 . 1 1 152 152 GLN CB C 13 28.835 0.200 . 1 . . . . 152 GLN CB . 17555 1 544 . 1 1 152 152 GLN N N 15 117.934 0.018 . 1 . . . . 152 GLN N . 17555 1 545 . 1 1 153 153 PRO CA C 13 64.495 0.200 . 1 . . . . 153 PRO CA . 17555 1 546 . 1 1 153 153 PRO CB C 13 32.259 0.200 . 1 . . . . 153 PRO CB . 17555 1 547 . 1 1 154 154 ALA H H 1 8.569 0.003 . 1 . . . . 154 ALA H . 17555 1 548 . 1 1 154 154 ALA CA C 13 52.769 0.200 . 1 . . . . 154 ALA CA . 17555 1 549 . 1 1 154 154 ALA CB C 13 18.425 0.200 . 1 . . . . 154 ALA CB . 17555 1 550 . 1 1 154 154 ALA N N 15 117.756 0.017 . 1 . . . . 154 ALA N . 17555 1 551 . 1 1 155 155 SER H H 1 7.576 0.200 . 1 . . . . 155 SER H . 17555 1 552 . 1 1 155 155 SER CA C 13 59.187 0.200 . 1 . . . . 155 SER CA . 17555 1 553 . 1 1 155 155 SER CB C 13 63.789 0.200 . 1 . . . . 155 SER CB . 17555 1 554 . 1 1 155 155 SER N N 15 112.577 0.200 . 1 . . . . 155 SER N . 17555 1 555 . 1 1 156 156 ALA H H 1 8.256 0.002 . 1 . . . . 156 ALA H . 17555 1 556 . 1 1 156 156 ALA CA C 13 52.224 0.200 . 1 . . . . 156 ALA CA . 17555 1 557 . 1 1 156 156 ALA CB C 13 17.906 0.200 . 1 . . . . 156 ALA CB . 17555 1 558 . 1 1 156 156 ALA N N 15 124.926 0.045 . 1 . . . . 156 ALA N . 17555 1 559 . 1 1 157 157 GLU H H 1 8.110 0.001 . 1 . . . . 157 GLU H . 17555 1 560 . 1 1 157 157 GLU CA C 13 54.807 0.200 . 1 . . . . 157 GLU CA . 17555 1 561 . 1 1 157 157 GLU CB C 13 29.052 0.200 . 1 . . . . 157 GLU CB . 17555 1 562 . 1 1 157 157 GLU N N 15 119.864 0.023 . 1 . . . . 157 GLU N . 17555 1 563 . 1 1 158 158 PRO CA C 13 62.513 0.200 . 1 . . . . 158 PRO CA . 17555 1 564 . 1 1 158 158 PRO CB C 13 32.327 0.200 . 1 . . . . 158 PRO CB . 17555 1 565 . 1 1 159 159 ARG H H 1 8.807 0.004 . 1 . . . . 159 ARG H . 17555 1 566 . 1 1 159 159 ARG CA C 13 58.473 0.200 . 1 . . . . 159 ARG CA . 17555 1 567 . 1 1 159 159 ARG CB C 13 29.526 0.200 . 1 . . . . 159 ARG CB . 17555 1 568 . 1 1 159 159 ARG N N 15 125.275 0.030 . 1 . . . . 159 ARG N . 17555 1 569 . 1 1 160 160 GLN H H 1 8.732 0.003 . 1 . . . . 160 GLN H . 17555 1 570 . 1 1 160 160 GLN CA C 13 58.674 0.200 . 1 . . . . 160 GLN CA . 17555 1 571 . 1 1 160 160 GLN CB C 13 27.928 0.200 . 1 . . . . 160 GLN CB . 17555 1 572 . 1 1 160 160 GLN N N 15 115.339 0.004 . 1 . . . . 160 GLN N . 17555 1 573 . 1 1 161 161 ASN H H 1 7.879 0.004 . 1 . . . . 161 ASN H . 17555 1 574 . 1 1 161 161 ASN CA C 13 56.182 0.200 . 1 . . . . 161 ASN CA . 17555 1 575 . 1 1 161 161 ASN CB C 13 37.061 0.200 . 1 . . . . 161 ASN CB . 17555 1 576 . 1 1 161 161 ASN N N 15 119.189 0.024 . 1 . . . . 161 ASN N . 17555 1 577 . 1 1 162 162 LEU H H 1 7.387 0.001 . 1 . . . . 162 LEU H . 17555 1 578 . 1 1 162 162 LEU CA C 13 58.669 0.200 . 1 . . . . 162 LEU CA . 17555 1 579 . 1 1 162 162 LEU CB C 13 41.638 0.200 . 1 . . . . 162 LEU CB . 17555 1 580 . 1 1 162 162 LEU N N 15 124.581 0.022 . 1 . . . . 162 LEU N . 17555 1 581 . 1 1 163 163 LEU H H 1 7.838 0.002 . 1 . . . . 163 LEU H . 17555 1 582 . 1 1 163 163 LEU CA C 13 57.992 0.200 . 1 . . . . 163 LEU CA . 17555 1 583 . 1 1 163 163 LEU CB C 13 40.271 0.200 . 1 . . . . 163 LEU CB . 17555 1 584 . 1 1 163 163 LEU N N 15 117.613 0.017 . 1 . . . . 163 LEU N . 17555 1 585 . 1 1 164 164 GLN H H 1 8.490 0.001 . 1 . . . . 164 GLN H . 17555 1 586 . 1 1 164 164 GLN CA C 13 58.517 0.200 . 1 . . . . 164 GLN CA . 17555 1 587 . 1 1 164 164 GLN CB C 13 28.486 0.200 . 1 . . . . 164 GLN CB . 17555 1 588 . 1 1 164 164 GLN N N 15 121.223 0.015 . 1 . . . . 164 GLN N . 17555 1 589 . 1 1 165 165 ALA H H 1 7.926 0.001 . 1 . . . . 165 ALA H . 17555 1 590 . 1 1 165 165 ALA CA C 13 55.018 0.200 . 1 . . . . 165 ALA CA . 17555 1 591 . 1 1 165 165 ALA CB C 13 17.333 0.200 . 1 . . . . 165 ALA CB . 17555 1 592 . 1 1 165 165 ALA N N 15 123.077 0.025 . 1 . . . . 165 ALA N . 17555 1 593 . 1 1 166 166 ALA H H 1 8.762 0.001 . 1 . . . . 166 ALA H . 17555 1 594 . 1 1 166 166 ALA CA C 13 55.483 0.200 . 1 . . . . 166 ALA CA . 17555 1 595 . 1 1 166 166 ALA CB C 13 17.951 0.200 . 1 . . . . 166 ALA CB . 17555 1 596 . 1 1 166 166 ALA N N 15 121.743 0.009 . 1 . . . . 166 ALA N . 17555 1 597 . 1 1 167 167 GLY H H 1 8.231 0.001 . 1 . . . . 167 GLY H . 17555 1 598 . 1 1 167 167 GLY CA C 13 47.024 0.200 . 1 . . . . 167 GLY CA . 17555 1 599 . 1 1 167 167 GLY N N 15 108.727 0.002 . 1 . . . . 167 GLY N . 17555 1 600 . 1 1 168 168 ASN H H 1 8.236 0.002 . 1 . . . . 168 ASN H . 17555 1 601 . 1 1 168 168 ASN CA C 13 55.497 0.200 . 1 . . . . 168 ASN CA . 17555 1 602 . 1 1 168 168 ASN CB C 13 36.939 0.200 . 1 . . . . 168 ASN CB . 17555 1 603 . 1 1 168 168 ASN N N 15 122.711 0.022 . 1 . . . . 168 ASN N . 17555 1 604 . 1 1 169 169 VAL H H 1 8.156 0.003 . 1 . . . . 169 VAL H . 17555 1 605 . 1 1 169 169 VAL CA C 13 67.351 0.200 . 1 . . . . 169 VAL CA . 17555 1 606 . 1 1 169 169 VAL CB C 13 31.397 0.200 . 1 . . . . 169 VAL CB . 17555 1 607 . 1 1 169 169 VAL N N 15 123.014 0.057 . 1 . . . . 169 VAL N . 17555 1 608 . 1 1 170 170 GLY H H 1 8.274 0.001 . 1 . . . . 170 GLY H . 17555 1 609 . 1 1 170 170 GLY CA C 13 47.738 0.200 . 1 . . . . 170 GLY CA . 17555 1 610 . 1 1 170 170 GLY N N 15 107.567 0.014 . 1 . . . . 170 GLY N . 17555 1 611 . 1 1 171 171 GLN H H 1 8.273 0.001 . 1 . . . . 171 GLN H . 17555 1 612 . 1 1 171 171 GLN CA C 13 58.783 0.200 . 1 . . . . 171 GLN CA . 17555 1 613 . 1 1 171 171 GLN CB C 13 28.571 0.200 . 1 . . . . 171 GLN CB . 17555 1 614 . 1 1 171 171 GLN N N 15 123.095 0.017 . 1 . . . . 171 GLN N . 17555 1 615 . 1 1 172 172 ALA H H 1 8.394 0.200 . 1 . . . . 172 ALA H . 17555 1 616 . 1 1 172 172 ALA CA C 13 54.747 0.200 . 1 . . . . 172 ALA CA . 17555 1 617 . 1 1 172 172 ALA CB C 13 17.864 0.200 . 1 . . . . 172 ALA CB . 17555 1 618 . 1 1 172 172 ALA N N 15 121.793 0.200 . 1 . . . . 172 ALA N . 17555 1 619 . 1 1 173 173 SER H H 1 8.645 0.001 . 1 . . . . 173 SER H . 17555 1 620 . 1 1 173 173 SER CA C 13 63.078 0.200 . 1 . . . . 173 SER CA . 17555 1 621 . 1 1 173 173 SER CB C 13 62.172 0.200 . 1 . . . . 173 SER CB . 17555 1 622 . 1 1 173 173 SER N N 15 116.861 0.018 . 1 . . . . 173 SER N . 17555 1 623 . 1 1 174 174 GLY H H 1 7.737 0.001 . 1 . . . . 174 GLY H . 17555 1 624 . 1 1 174 174 GLY CA C 13 47.243 0.200 . 1 . . . . 174 GLY CA . 17555 1 625 . 1 1 174 174 GLY N N 15 109.262 0.009 . 1 . . . . 174 GLY N . 17555 1 626 . 1 1 175 175 GLU H H 1 7.638 0.001 . 1 . . . . 175 GLU H . 17555 1 627 . 1 1 175 175 GLU CA C 13 59.092 0.200 . 1 . . . . 175 GLU CA . 17555 1 628 . 1 1 175 175 GLU CB C 13 29.253 0.200 . 1 . . . . 175 GLU CB . 17555 1 629 . 1 1 175 175 GLU N N 15 120.515 0.012 . 1 . . . . 175 GLU N . 17555 1 630 . 1 1 176 176 LEU H H 1 7.551 0.002 . 1 . . . . 176 LEU H . 17555 1 631 . 1 1 176 176 LEU CA C 13 58.443 0.200 . 1 . . . . 176 LEU CA . 17555 1 632 . 1 1 176 176 LEU CB C 13 41.769 0.200 . 1 . . . . 176 LEU CB . 17555 1 633 . 1 1 176 176 LEU N N 15 120.027 0.012 . 1 . . . . 176 LEU N . 17555 1 634 . 1 1 177 177 LEU H H 1 8.192 0.002 . 1 . . . . 177 LEU H . 17555 1 635 . 1 1 177 177 LEU CA C 13 57.354 0.200 . 1 . . . . 177 LEU CA . 17555 1 636 . 1 1 177 177 LEU CB C 13 40.813 0.200 . 1 . . . . 177 LEU CB . 17555 1 637 . 1 1 177 177 LEU N N 15 116.571 0.030 . 1 . . . . 177 LEU N . 17555 1 638 . 1 1 178 178 GLN H H 1 7.467 0.001 . 1 . . . . 178 GLN H . 17555 1 639 . 1 1 178 178 GLN CA C 13 57.354 0.200 . 1 . . . . 178 GLN CA . 17555 1 640 . 1 1 178 178 GLN CB C 13 28.705 0.200 . 1 . . . . 178 GLN CB . 17555 1 641 . 1 1 178 178 GLN N N 15 115.468 0.015 . 1 . . . . 178 GLN N . 17555 1 642 . 1 1 179 179 GLN H H 1 7.685 0.001 . 1 . . . . 179 GLN H . 17555 1 643 . 1 1 179 179 GLN CA C 13 55.028 0.200 . 1 . . . . 179 GLN CA . 17555 1 644 . 1 1 179 179 GLN CB C 13 29.753 0.200 . 1 . . . . 179 GLN CB . 17555 1 645 . 1 1 179 179 GLN N N 15 115.373 0.011 . 1 . . . . 179 GLN N . 17555 1 646 . 1 1 180 180 ILE H H 1 6.928 0.001 . 1 . . . . 180 ILE H . 17555 1 647 . 1 1 180 180 ILE CA C 13 62.349 0.200 . 1 . . . . 180 ILE CA . 17555 1 648 . 1 1 180 180 ILE CB C 13 39.791 0.200 . 1 . . . . 180 ILE CB . 17555 1 649 . 1 1 180 180 ILE N N 15 118.726 0.018 . 1 . . . . 180 ILE N . 17555 1 stop_ save_