data_16470 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16470 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for ShcA PTB Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-08-27 _Entry.Accession_date 2009-08-27 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Bound to PTP-PEST NPLH peptide' _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 Matthew Smith . J. . 16470 2 Mitsu Ikura . . . 16470 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16470 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PTP-PEST . 16470 ShcA . 16470 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16470 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 264 16470 '15N chemical shifts' 153 16470 '1H chemical shifts' 153 16470 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-03-05 2009-08-27 update BMRB 'completed entry citation' 16470 1 . . 2010-01-28 2009-08-27 original BMRB 'original release' 16470 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16470 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20075861 _Citation.Full_citation . _Citation.Title 'The PTB domain of ShcA couples receptor activation to the cytoskeletal regulator IQGAP1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full 'The EMBO journal' _Citation.Journal_volume 29 _Citation.Journal_issue 5 _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 884 _Citation.Page_last 896 _Citation.Year 2010 _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 Matthew Smith . J. . 16470 1 2 'W. Rod' Hardy . . . 16470 1 3 Guang-Yao Li . . . 16470 1 4 Marilyn Goudreault . . . 16470 1 5 Steven Hersch . . . 16470 1 6 Pavel Metalnikov . . . 16470 1 7 Andrei Starostine . . . 16470 1 8 Tony Pawson . . . 16470 1 9 Mitsuhiko Ikura . . . 16470 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ErbB2 16470 1 IQGAP1 16470 1 'PTB Domain' 16470 1 PTP-PEST 16470 1 ShcA 16470 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16470 _Assembly.ID 1 _Assembly.Name 'ShcA PTB domain-NPLH peptide' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 22635 _Assembly.Enzyme_commission_number . _Assembly.Details 'NPLH peptide bound to isotopically labeled ShcA PTB domain' _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 'peptide ligand' 1 $PTP-PEST_peptide A . no native no no . . . 16470 1 2 'binding domain' 2 $ShcA_PTB_domain B . yes native no no . . . 16470 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1Oy2 . . 'solution NMR' . 'free PTB domain structure' . 16470 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PTP-PEST_peptide _Entity.Sf_category entity _Entity.Sf_framecode PTP-PEST_peptide _Entity.Entry_ID 16470 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PTP-PEST_peptide _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 PLSFTNPLHSDDWH _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 14 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1665.7 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . . SWS P35831 . PTP-PEST . . . . . . . . . . . . . . 16470 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID phosphatase 16470 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 . PRO . 16470 1 2 . LEU . 16470 1 3 . SER . 16470 1 4 . PHE . 16470 1 5 . THR . 16470 1 6 . ASN . 16470 1 7 . PRO . 16470 1 8 . LEU . 16470 1 9 . HIS . 16470 1 10 . SER . 16470 1 11 . ASP . 16470 1 12 . ASP . 16470 1 13 . TRP . 16470 1 14 . HIS . 16470 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 . PRO 1 1 16470 1 . LEU 2 2 16470 1 . SER 3 3 16470 1 . PHE 4 4 16470 1 . THR 5 5 16470 1 . ASN 6 6 16470 1 . PRO 7 7 16470 1 . LEU 8 8 16470 1 . HIS 9 9 16470 1 . SER 10 10 16470 1 . ASP 11 11 16470 1 . ASP 12 12 16470 1 . TRP 13 13 16470 1 . HIS 14 14 16470 1 stop_ save_ save_ShcA_PTB_domain _Entity.Sf_category entity _Entity.Sf_framecode ShcA_PTB_domain _Entity.Entry_ID 16470 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ShcA_PTB_domain _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 ; GQLGGEEWTRHGSFVNKPTR GWLHPNDKVMGPGVSYLVRY MGCVEVLQSMRALDFNTRTQ VTREAISLVCEAVPGAKGAT RRRKPCSRPLSSILGRSNLK FAGMPITLTVSTSSLNLMAA DCKQIIANHHMQSISFASGG DPDTAEYVAYVAKDPVNQRA CHILECPEGLAQDVISTIGQ AFELRFKQYLR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 191 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20969 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17080 . Shc-PTB . . . . . 100.00 211 100.00 100.00 6.02e-140 . . . . 16470 2 2 no BMRB 5566 . Shc_PTB_Domain . . . . . 100.00 207 100.00 100.00 4.95e-140 . . . . 16470 2 3 no PDB 1N3H . "Coupling Of Folding And Binding In The Ptb Domain Of The Signaling Protein Shc" . . . . . 100.00 207 100.00 100.00 4.95e-140 . . . . 16470 2 4 no PDB 1OY2 . "Coupling Of Folding And Binding In The Ptb Domain Of The Signaling Protein Shc" . . . . . 100.00 207 100.00 100.00 4.95e-140 . . . . 16470 2 5 no PDB 1SHC . "Shc Ptb Domain Complexed With A Trka Receptor Phosphopeptide, Nmr, Minimized Average Structure" . . . . . 100.00 195 100.00 100.00 3.58e-140 . . . . 16470 2 6 no PDB 2L1C . "Shc-Ptb:biphosphorylated Integrin Beta3 Cytoplasmic Tail Complex (1:1)" . . . . . 100.00 211 100.00 100.00 6.02e-140 . . . . 16470 2 7 no DBJ BAA74950 . "shc transforming protein [Rattus norvegicus]" . . . . . 72.25 138 100.00 100.00 8.52e-96 . . . . 16470 2 8 no DBJ BAC33706 . "unnamed protein product [Mus musculus]" . . . . . 100.00 469 100.00 100.00 8.91e-136 . . . . 16470 2 9 no DBJ BAD92086 . "SHC (Src homology 2 domain containing) transforming protein 1 isoform p66Shc variant [Homo sapiens]" . . . . . 50.26 377 100.00 100.00 2.15e-59 . . . . 16470 2 10 no DBJ BAE33083 . "unnamed protein product [Mus musculus]" . . . . . 100.00 579 100.00 100.00 3.23e-135 . . . . 16470 2 11 no DBJ BAF84832 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 474 100.00 100.00 5.68e-136 . . . . 16470 2 12 no EMBL CAA48251 . "SHC transforming protein [Homo sapiens]" . . . . . 100.00 473 100.00 100.00 6.14e-136 . . . . 16470 2 13 no EMBL CAA70977 . "shc p66 [Homo sapiens]" . . . . . 100.00 583 100.00 100.00 3.12e-135 . . . . 16470 2 14 no EMBL CAH92143 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 583 100.00 100.00 4.05e-135 . . . . 16470 2 15 no GB AAA91777 . "src homology collagen protein 66 kDa isoform [Mus musculus]" . . . . . 100.00 579 100.00 100.00 3.23e-135 . . . . 16470 2 16 no GB AAB49972 . "p66shc [Homo sapiens]" . . . . . 100.00 583 100.00 100.00 3.09e-135 . . . . 16470 2 17 no GB AAC52146 . "Shcp52 [Mus musculus]" . . . . . 100.00 469 100.00 100.00 8.91e-136 . . . . 16470 2 18 no GB AAH14158 . "SHC (Src homology 2 domain containing) transforming protein 1 [Homo sapiens]" . . . . . 100.00 474 100.00 100.00 5.68e-136 . . . . 16470 2 19 no GB AAH33925 . "SHC1 protein [Homo sapiens]" . . . . . 50.26 369 100.00 100.00 2.62e-59 . . . . 16470 2 20 no REF NP_001068773 . "SHC-transforming protein 1 isoform b [Bos taurus]" . . . . . 100.00 473 100.00 100.00 3.60e-136 . . . . 16470 2 21 no REF NP_001106802 . "SHC-transforming protein 1 isoform a [Mus musculus]" . . . . . 100.00 579 100.00 100.00 3.23e-135 . . . . 16470 2 22 no REF NP_001123512 . "SHC-transforming protein 1 isoform 3 [Homo sapiens]" . . . . . 100.00 584 100.00 100.00 3.43e-135 . . . . 16470 2 23 no REF NP_001123513 . "SHC-transforming protein 1 isoform 4 [Homo sapiens]" . . . . . 100.00 473 100.00 100.00 6.14e-136 . . . . 16470 2 24 no REF NP_001126253 . "SHC-transforming protein 1 [Pongo abelii]" . . . . . 100.00 583 100.00 100.00 4.05e-135 . . . . 16470 2 25 no SP P29353 . "RecName: Full=SHC-transforming protein 1; AltName: Full=SHC-transforming protein 3; AltName: Full=SHC-transforming protein A; A" . . . . . 100.00 583 100.00 100.00 3.33e-135 . . . . 16470 2 26 no SP P98083 . "RecName: Full=SHC-transforming protein 1; AltName: Full=SHC-transforming protein A; AltName: Full=Src homology 2 domain-contain" . . . . . 100.00 579 100.00 100.00 3.23e-135 . . . . 16470 2 27 no SP Q0IIE2 . "RecName: Full=SHC-transforming protein 1; AltName: Full=Src homology 2 domain-containing-transforming protein C1; Short=SH2 dom" . . . . . 100.00 473 100.00 100.00 3.60e-136 . . . . 16470 2 28 no SP Q5M824 . "RecName: Full=SHC-transforming protein 1; AltName: Full=Src homology 2 domain-containing-transforming protein C1; Short=SH2 dom" . . . . . 100.00 469 99.48 99.48 4.45e-135 . . . . 16470 2 29 no SP Q5R7W7 . "RecName: Full=SHC-transforming protein 1; AltName: Full=Src homology 2 domain-containing-transforming protein C1; Short=SH2 dom" . . . . . 100.00 583 100.00 100.00 4.05e-135 . . . . 16470 2 30 no TPG DAA31779 . "TPA: SHC-transforming protein 1 isoform b [Bos taurus]" . . . . . 100.00 473 100.00 100.00 3.60e-136 . . . . 16470 2 31 no TPG DAA31780 . "TPA: SHC-transforming protein 1 isoform a [Bos taurus]" . . . . . 100.00 583 100.00 100.00 1.30e-135 . . . . 16470 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'adaptor protein' 16470 2 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 17 GLY . 16470 2 2 18 GLN . 16470 2 3 19 LEU . 16470 2 4 20 GLY . 16470 2 5 21 GLY . 16470 2 6 22 GLU . 16470 2 7 23 GLU . 16470 2 8 24 TRP . 16470 2 9 25 THR . 16470 2 10 26 ARG . 16470 2 11 27 HIS . 16470 2 12 28 GLY . 16470 2 13 29 SER . 16470 2 14 30 PHE . 16470 2 15 31 VAL . 16470 2 16 32 ASN . 16470 2 17 33 LYS . 16470 2 18 34 PRO . 16470 2 19 35 THR . 16470 2 20 36 ARG . 16470 2 21 37 GLY . 16470 2 22 38 TRP . 16470 2 23 39 LEU . 16470 2 24 40 HIS . 16470 2 25 41 PRO . 16470 2 26 42 ASN . 16470 2 27 43 ASP . 16470 2 28 44 LYS . 16470 2 29 45 VAL . 16470 2 30 46 MET . 16470 2 31 47 GLY . 16470 2 32 48 PRO . 16470 2 33 49 GLY . 16470 2 34 50 VAL . 16470 2 35 51 SER . 16470 2 36 52 TYR . 16470 2 37 53 LEU . 16470 2 38 54 VAL . 16470 2 39 55 ARG . 16470 2 40 56 TYR . 16470 2 41 57 MET . 16470 2 42 58 GLY . 16470 2 43 59 CYS . 16470 2 44 60 VAL . 16470 2 45 61 GLU . 16470 2 46 62 VAL . 16470 2 47 63 LEU . 16470 2 48 64 GLN . 16470 2 49 65 SER . 16470 2 50 66 MET . 16470 2 51 67 ARG . 16470 2 52 68 ALA . 16470 2 53 69 LEU . 16470 2 54 70 ASP . 16470 2 55 71 PHE . 16470 2 56 72 ASN . 16470 2 57 73 THR . 16470 2 58 74 ARG . 16470 2 59 75 THR . 16470 2 60 76 GLN . 16470 2 61 77 VAL . 16470 2 62 78 THR . 16470 2 63 79 ARG . 16470 2 64 80 GLU . 16470 2 65 81 ALA . 16470 2 66 82 ILE . 16470 2 67 83 SER . 16470 2 68 84 LEU . 16470 2 69 85 VAL . 16470 2 70 86 CYS . 16470 2 71 87 GLU . 16470 2 72 88 ALA . 16470 2 73 89 VAL . 16470 2 74 90 PRO . 16470 2 75 91 GLY . 16470 2 76 92 ALA . 16470 2 77 93 LYS . 16470 2 78 94 GLY . 16470 2 79 95 ALA . 16470 2 80 96 THR . 16470 2 81 97 ARG . 16470 2 82 98 ARG . 16470 2 83 99 ARG . 16470 2 84 100 LYS . 16470 2 85 101 PRO . 16470 2 86 102 CYS . 16470 2 87 103 SER . 16470 2 88 104 ARG . 16470 2 89 105 PRO . 16470 2 90 106 LEU . 16470 2 91 107 SER . 16470 2 92 108 SER . 16470 2 93 109 ILE . 16470 2 94 110 LEU . 16470 2 95 111 GLY . 16470 2 96 112 ARG . 16470 2 97 113 SER . 16470 2 98 114 ASN . 16470 2 99 115 LEU . 16470 2 100 116 LYS . 16470 2 101 117 PHE . 16470 2 102 118 ALA . 16470 2 103 119 GLY . 16470 2 104 120 MET . 16470 2 105 121 PRO . 16470 2 106 122 ILE . 16470 2 107 123 THR . 16470 2 108 124 LEU . 16470 2 109 125 THR . 16470 2 110 126 VAL . 16470 2 111 127 SER . 16470 2 112 128 THR . 16470 2 113 129 SER . 16470 2 114 130 SER . 16470 2 115 131 LEU . 16470 2 116 132 ASN . 16470 2 117 133 LEU . 16470 2 118 134 MET . 16470 2 119 135 ALA . 16470 2 120 136 ALA . 16470 2 121 137 ASP . 16470 2 122 138 CYS . 16470 2 123 139 LYS . 16470 2 124 140 GLN . 16470 2 125 141 ILE . 16470 2 126 142 ILE . 16470 2 127 143 ALA . 16470 2 128 144 ASN . 16470 2 129 145 HIS . 16470 2 130 146 HIS . 16470 2 131 147 MET . 16470 2 132 148 GLN . 16470 2 133 149 SER . 16470 2 134 150 ILE . 16470 2 135 151 SER . 16470 2 136 152 PHE . 16470 2 137 153 ALA . 16470 2 138 154 SER . 16470 2 139 155 GLY . 16470 2 140 156 GLY . 16470 2 141 157 ASP . 16470 2 142 158 PRO . 16470 2 143 159 ASP . 16470 2 144 160 THR . 16470 2 145 161 ALA . 16470 2 146 162 GLU . 16470 2 147 163 TYR . 16470 2 148 164 VAL . 16470 2 149 165 ALA . 16470 2 150 166 TYR . 16470 2 151 167 VAL . 16470 2 152 168 ALA . 16470 2 153 169 LYS . 16470 2 154 170 ASP . 16470 2 155 171 PRO . 16470 2 156 172 VAL . 16470 2 157 173 ASN . 16470 2 158 174 GLN . 16470 2 159 175 ARG . 16470 2 160 176 ALA . 16470 2 161 177 CYS . 16470 2 162 178 HIS . 16470 2 163 179 ILE . 16470 2 164 180 LEU . 16470 2 165 181 GLU . 16470 2 166 182 CYS . 16470 2 167 183 PRO . 16470 2 168 184 GLU . 16470 2 169 185 GLY . 16470 2 170 186 LEU . 16470 2 171 187 ALA . 16470 2 172 188 GLN . 16470 2 173 189 ASP . 16470 2 174 190 VAL . 16470 2 175 191 ILE . 16470 2 176 192 SER . 16470 2 177 193 THR . 16470 2 178 194 ILE . 16470 2 179 195 GLY . 16470 2 180 196 GLN . 16470 2 181 197 ALA . 16470 2 182 198 PHE . 16470 2 183 199 GLU . 16470 2 184 200 LEU . 16470 2 185 201 ARG . 16470 2 186 202 PHE . 16470 2 187 203 LYS . 16470 2 188 204 GLN . 16470 2 189 205 TYR . 16470 2 190 206 LEU . 16470 2 191 207 ARG . 16470 2 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 16470 2 . GLN 2 2 16470 2 . LEU 3 3 16470 2 . GLY 4 4 16470 2 . GLY 5 5 16470 2 . GLU 6 6 16470 2 . GLU 7 7 16470 2 . TRP 8 8 16470 2 . THR 9 9 16470 2 . ARG 10 10 16470 2 . HIS 11 11 16470 2 . GLY 12 12 16470 2 . SER 13 13 16470 2 . PHE 14 14 16470 2 . VAL 15 15 16470 2 . ASN 16 16 16470 2 . LYS 17 17 16470 2 . PRO 18 18 16470 2 . THR 19 19 16470 2 . ARG 20 20 16470 2 . GLY 21 21 16470 2 . TRP 22 22 16470 2 . LEU 23 23 16470 2 . HIS 24 24 16470 2 . PRO 25 25 16470 2 . ASN 26 26 16470 2 . ASP 27 27 16470 2 . LYS 28 28 16470 2 . VAL 29 29 16470 2 . MET 30 30 16470 2 . GLY 31 31 16470 2 . PRO 32 32 16470 2 . GLY 33 33 16470 2 . VAL 34 34 16470 2 . SER 35 35 16470 2 . TYR 36 36 16470 2 . LEU 37 37 16470 2 . VAL 38 38 16470 2 . ARG 39 39 16470 2 . TYR 40 40 16470 2 . MET 41 41 16470 2 . GLY 42 42 16470 2 . CYS 43 43 16470 2 . VAL 44 44 16470 2 . GLU 45 45 16470 2 . VAL 46 46 16470 2 . LEU 47 47 16470 2 . GLN 48 48 16470 2 . SER 49 49 16470 2 . MET 50 50 16470 2 . ARG 51 51 16470 2 . ALA 52 52 16470 2 . LEU 53 53 16470 2 . ASP 54 54 16470 2 . PHE 55 55 16470 2 . ASN 56 56 16470 2 . THR 57 57 16470 2 . ARG 58 58 16470 2 . THR 59 59 16470 2 . GLN 60 60 16470 2 . VAL 61 61 16470 2 . THR 62 62 16470 2 . ARG 63 63 16470 2 . GLU 64 64 16470 2 . ALA 65 65 16470 2 . ILE 66 66 16470 2 . SER 67 67 16470 2 . LEU 68 68 16470 2 . VAL 69 69 16470 2 . CYS 70 70 16470 2 . GLU 71 71 16470 2 . ALA 72 72 16470 2 . VAL 73 73 16470 2 . PRO 74 74 16470 2 . GLY 75 75 16470 2 . ALA 76 76 16470 2 . LYS 77 77 16470 2 . GLY 78 78 16470 2 . ALA 79 79 16470 2 . THR 80 80 16470 2 . ARG 81 81 16470 2 . ARG 82 82 16470 2 . ARG 83 83 16470 2 . LYS 84 84 16470 2 . PRO 85 85 16470 2 . CYS 86 86 16470 2 . SER 87 87 16470 2 . ARG 88 88 16470 2 . PRO 89 89 16470 2 . LEU 90 90 16470 2 . SER 91 91 16470 2 . SER 92 92 16470 2 . ILE 93 93 16470 2 . LEU 94 94 16470 2 . GLY 95 95 16470 2 . ARG 96 96 16470 2 . SER 97 97 16470 2 . ASN 98 98 16470 2 . LEU 99 99 16470 2 . LYS 100 100 16470 2 . PHE 101 101 16470 2 . ALA 102 102 16470 2 . GLY 103 103 16470 2 . MET 104 104 16470 2 . PRO 105 105 16470 2 . ILE 106 106 16470 2 . THR 107 107 16470 2 . LEU 108 108 16470 2 . THR 109 109 16470 2 . VAL 110 110 16470 2 . SER 111 111 16470 2 . THR 112 112 16470 2 . SER 113 113 16470 2 . SER 114 114 16470 2 . LEU 115 115 16470 2 . ASN 116 116 16470 2 . LEU 117 117 16470 2 . MET 118 118 16470 2 . ALA 119 119 16470 2 . ALA 120 120 16470 2 . ASP 121 121 16470 2 . CYS 122 122 16470 2 . LYS 123 123 16470 2 . GLN 124 124 16470 2 . ILE 125 125 16470 2 . ILE 126 126 16470 2 . ALA 127 127 16470 2 . ASN 128 128 16470 2 . HIS 129 129 16470 2 . HIS 130 130 16470 2 . MET 131 131 16470 2 . GLN 132 132 16470 2 . SER 133 133 16470 2 . ILE 134 134 16470 2 . SER 135 135 16470 2 . PHE 136 136 16470 2 . ALA 137 137 16470 2 . SER 138 138 16470 2 . GLY 139 139 16470 2 . GLY 140 140 16470 2 . ASP 141 141 16470 2 . PRO 142 142 16470 2 . ASP 143 143 16470 2 . THR 144 144 16470 2 . ALA 145 145 16470 2 . GLU 146 146 16470 2 . TYR 147 147 16470 2 . VAL 148 148 16470 2 . ALA 149 149 16470 2 . TYR 150 150 16470 2 . VAL 151 151 16470 2 . ALA 152 152 16470 2 . LYS 153 153 16470 2 . ASP 154 154 16470 2 . PRO 155 155 16470 2 . VAL 156 156 16470 2 . ASN 157 157 16470 2 . GLN 158 158 16470 2 . ARG 159 159 16470 2 . ALA 160 160 16470 2 . CYS 161 161 16470 2 . HIS 162 162 16470 2 . ILE 163 163 16470 2 . LEU 164 164 16470 2 . GLU 165 165 16470 2 . CYS 166 166 16470 2 . PRO 167 167 16470 2 . GLU 168 168 16470 2 . GLY 169 169 16470 2 . LEU 170 170 16470 2 . ALA 171 171 16470 2 . GLN 172 172 16470 2 . ASP 173 173 16470 2 . VAL 174 174 16470 2 . ILE 175 175 16470 2 . SER 176 176 16470 2 . THR 177 177 16470 2 . ILE 178 178 16470 2 . GLY 179 179 16470 2 . GLN 180 180 16470 2 . ALA 181 181 16470 2 . PHE 182 182 16470 2 . GLU 183 183 16470 2 . LEU 184 184 16470 2 . ARG 185 185 16470 2 . PHE 186 186 16470 2 . LYS 187 187 16470 2 . GLN 188 188 16470 2 . TYR 189 189 16470 2 . LEU 190 190 16470 2 . ARG 191 191 16470 2 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 16470 _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 2 $ShcA_PTB_domain . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 16470 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 16470 _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 2 $ShcA_PTB_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET15b . . . . . . 16470 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16470 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'ShcA PTB domain-PTP-PEST peptide' _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 'ShcA PTB domain' '[U-13C; U-15N]' . . 2 $ShcA_PTB_domain . . 200 . . uM . . . . 16470 1 2 'PTP-PEST peptide' 'natural abundance' . . 1 $PTP-PEST_peptide . . 2 . . mM . . . . 16470 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16470 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16470 1 5 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 16470 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 16470 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 16470 1 pH 7.5 . pH 16470 1 pressure 1 . atm 16470 1 temperature 303 . K 16470 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16470 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16470 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16470 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16470 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16470 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16470 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 16470 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16470 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 16470 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 16470 _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 . . . . . . . . . . . . . . . . 16470 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16470 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16470 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16470 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 16470 _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 . . . . . . . . . 16470 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16470 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16470 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 16470 _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' . . . 16470 1 2 '3D CBCA(CO)NH' . . . 16470 1 3 '3D HNCA' . . . 16470 1 4 '3D HNCACB' . . . 16470 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 . 2 2 1 1 GLY H H 1 8.449 . . 1 . . . . 17 GLY H . 16470 1 2 . 2 2 1 1 GLY CA C 13 45.42 . . 1 . . . . 17 GLY CA . 16470 1 3 . 2 2 1 1 GLY N N 15 110.05 . . 1 . . . . 17 GLY N . 16470 1 4 . 2 2 2 2 GLN H H 1 8.234 . . 1 . . . . 18 GLN H . 16470 1 5 . 2 2 2 2 GLN CA C 13 56.19 . . 1 . . . . 18 GLN CA . 16470 1 6 . 2 2 2 2 GLN CB C 13 29.5 . . 1 . . . . 18 GLN CB . 16470 1 7 . 2 2 2 2 GLN N N 15 119.782 . . 1 . . . . 18 GLN N . 16470 1 8 . 2 2 3 3 LEU H H 1 8.354 . . 1 . . . . 19 LEU H . 16470 1 9 . 2 2 3 3 LEU CA C 13 55.72 . . 1 . . . . 19 LEU CA . 16470 1 10 . 2 2 3 3 LEU CB C 13 42.4 . . 1 . . . . 19 LEU CB . 16470 1 11 . 2 2 3 3 LEU N N 15 123.106 . . 1 . . . . 19 LEU N . 16470 1 12 . 2 2 4 4 GLY H H 1 8.408 . . 1 . . . . 20 GLY H . 16470 1 13 . 2 2 4 4 GLY CA C 13 45.49 . . 1 . . . . 20 GLY CA . 16470 1 14 . 2 2 4 4 GLY N N 15 109.712 . . 1 . . . . 20 GLY N . 16470 1 15 . 2 2 5 5 GLY H H 1 8.245 . . 1 . . . . 21 GLY H . 16470 1 16 . 2 2 5 5 GLY CA C 13 45.42 . . 1 . . . . 21 GLY CA . 16470 1 17 . 2 2 5 5 GLY N N 15 108.775 . . 1 . . . . 21 GLY N . 16470 1 18 . 2 2 6 6 GLU H H 1 8.458 . . 1 . . . . 22 GLU H . 16470 1 19 . 2 2 6 6 GLU CA C 13 57.28 . . 1 . . . . 22 GLU CA . 16470 1 20 . 2 2 6 6 GLU CB C 13 29.89 . . 1 . . . . 22 GLU CB . 16470 1 21 . 2 2 6 6 GLU N N 15 119.835 . . 1 . . . . 22 GLU N . 16470 1 22 . 2 2 7 7 GLU H H 1 8.125 . . 1 . . . . 23 GLU H . 16470 1 23 . 2 2 7 7 GLU N N 15 126.43 . . 1 . . . . 23 GLU N . 16470 1 24 . 2 2 9 9 THR H H 1 7.675 . . 1 . . . . 25 THR H . 16470 1 25 . 2 2 9 9 THR N N 15 119.65 . . 1 . . . . 25 THR N . 16470 1 26 . 2 2 12 12 GLY H H 1 8.214 . . 1 . . . . 28 GLY H . 16470 1 27 . 2 2 12 12 GLY CA C 13 46.12 . . 1 . . . . 28 GLY CA . 16470 1 28 . 2 2 12 12 GLY N N 15 109.29 . . 1 . . . . 28 GLY N . 16470 1 29 . 2 2 15 15 VAL H H 1 8.058 . . 1 . . . . 31 VAL H . 16470 1 30 . 2 2 15 15 VAL CA C 13 59.93 . . 1 . . . . 31 VAL CA . 16470 1 31 . 2 2 15 15 VAL CB C 13 32.62 . . 1 . . . . 31 VAL CB . 16470 1 32 . 2 2 15 15 VAL N N 15 122.237 . . 1 . . . . 31 VAL N . 16470 1 33 . 2 2 16 16 ASN H H 1 7.777 . . 1 . . . . 32 ASN H . 16470 1 34 . 2 2 16 16 ASN N N 15 117.43 . . 1 . . . . 32 ASN N . 16470 1 35 . 2 2 21 21 GLY H H 1 7.744 . . 1 . . . . 37 GLY H . 16470 1 36 . 2 2 21 21 GLY CA C 13 43.86 . . 1 . . . . 37 GLY CA . 16470 1 37 . 2 2 21 21 GLY N N 15 107.96 . . 1 . . . . 37 GLY N . 16470 1 38 . 2 2 22 22 TRP H H 1 8.021 . . 1 . . . . 38 TRP H . 16470 1 39 . 2 2 22 22 TRP CA C 13 55.56 . . 1 . . . . 38 TRP CA . 16470 1 40 . 2 2 22 22 TRP CB C 13 30.44 . . 1 . . . . 38 TRP CB . 16470 1 41 . 2 2 22 22 TRP N N 15 117.436 . . 1 . . . . 38 TRP N . 16470 1 42 . 2 2 23 23 LEU H H 1 8.967 . . 1 . . . . 39 LEU H . 16470 1 43 . 2 2 23 23 LEU CA C 13 56.19 . . 1 . . . . 39 LEU CA . 16470 1 44 . 2 2 23 23 LEU CB C 13 43.08 . . 1 . . . . 39 LEU CB . 16470 1 45 . 2 2 23 23 LEU N N 15 119.301 . . 1 . . . . 39 LEU N . 16470 1 46 . 2 2 24 24 HIS H H 1 7.054 . . 1 . . . . 40 HIS H . 16470 1 47 . 2 2 24 24 HIS CA C 13 53.77 . . 1 . . . . 40 HIS CA . 16470 1 48 . 2 2 24 24 HIS CB C 13 32.15 . . 1 . . . . 40 HIS CB . 16470 1 49 . 2 2 24 24 HIS N N 15 114.8 . . 1 . . . . 40 HIS N . 16470 1 50 . 2 2 26 26 ASN H H 1 8.661 . . 1 . . . . 42 ASN H . 16470 1 51 . 2 2 26 26 ASN CA C 13 56.73 . . 1 . . . . 42 ASN CA . 16470 1 52 . 2 2 26 26 ASN CB C 13 37.79 . . 1 . . . . 42 ASN CB . 16470 1 53 . 2 2 26 26 ASN N N 15 121.777 . . 1 . . . . 42 ASN N . 16470 1 54 . 2 2 27 27 ASP H H 1 8.776 . . 1 . . . . 43 ASP H . 16470 1 55 . 2 2 27 27 ASP CA C 13 56.59 . . 1 . . . . 43 ASP CA . 16470 1 56 . 2 2 27 27 ASP CB C 13 39.65 . . 1 . . . . 43 ASP CB . 16470 1 57 . 2 2 27 27 ASP N N 15 115.33 . . 1 . . . . 43 ASP N . 16470 1 58 . 2 2 28 28 LYS H H 1 7.226 . . 1 . . . . 44 LYS H . 16470 1 59 . 2 2 28 28 LYS CA C 13 58.61 . . 1 . . . . 44 LYS CA . 16470 1 60 . 2 2 28 28 LYS CB C 13 33.01 . . 1 . . . . 44 LYS CB . 16470 1 61 . 2 2 28 28 LYS N N 15 119.389 . . 1 . . . . 44 LYS N . 16470 1 62 . 2 2 29 29 VAL H H 1 6.931 . . 1 . . . . 45 VAL H . 16470 1 63 . 2 2 29 29 VAL CA C 13 66.25 . . 1 . . . . 45 VAL CA . 16470 1 64 . 2 2 29 29 VAL CB C 13 31.61 . . 1 . . . . 45 VAL CB . 16470 1 65 . 2 2 29 29 VAL N N 15 118.11 . . 1 . . . . 45 VAL N . 16470 1 66 . 2 2 30 30 MET H H 1 7.824 . . 1 . . . . 46 MET H . 16470 1 67 . 2 2 30 30 MET CA C 13 56.58 . . 1 . . . . 46 MET CA . 16470 1 68 . 2 2 30 30 MET CB C 13 34.42 . . 1 . . . . 46 MET CB . 16470 1 69 . 2 2 30 30 MET N N 15 113.52 . . 1 . . . . 46 MET N . 16470 1 70 . 2 2 31 31 GLY H H 1 7.138 . . 1 . . . . 47 GLY H . 16470 1 71 . 2 2 31 31 GLY CA C 13 43.63 . . 1 . . . . 47 GLY CA . 16470 1 72 . 2 2 31 31 GLY N N 15 107.31 . . 1 . . . . 47 GLY N . 16470 1 73 . 2 2 33 33 GLY H H 1 7.949 . . 1 . . . . 49 GLY H . 16470 1 74 . 2 2 33 33 GLY CA C 13 44.48 . . 1 . . . . 49 GLY CA . 16470 1 75 . 2 2 33 33 GLY N N 15 106.67 . . 1 . . . . 49 GLY N . 16470 1 76 . 2 2 34 34 VAL H H 1 8.307 . . 1 . . . . 50 VAL H . 16470 1 77 . 2 2 34 34 VAL CA C 13 61.49 . . 1 . . . . 50 VAL CA . 16470 1 78 . 2 2 34 34 VAL CB C 13 33.87 . . 1 . . . . 50 VAL CB . 16470 1 79 . 2 2 34 34 VAL N N 15 118.155 . . 1 . . . . 50 VAL N . 16470 1 80 . 2 2 35 35 SER H H 1 8.172 . . 1 . . . . 51 SER H . 16470 1 81 . 2 2 35 35 SER CA C 13 57.28 . . 1 . . . . 51 SER CA . 16470 1 82 . 2 2 35 35 SER CB C 13 66.02 . . 1 . . . . 51 SER CB . 16470 1 83 . 2 2 35 35 SER N N 15 121.03 . . 1 . . . . 51 SER N . 16470 1 84 . 2 2 36 36 TYR H H 1 9.26 . . 1 . . . . 52 TYR H . 16470 1 85 . 2 2 36 36 TYR CA C 13 57.05 . . 1 . . . . 52 TYR CA . 16470 1 86 . 2 2 36 36 TYR CB C 13 44.17 . . 1 . . . . 52 TYR CB . 16470 1 87 . 2 2 36 36 TYR N N 15 120.29 . . 1 . . . . 52 TYR N . 16470 1 88 . 2 2 37 37 LEU H H 1 8.57 . . 1 . . . . 53 LEU H . 16470 1 89 . 2 2 37 37 LEU CA C 13 54.86 . . 1 . . . . 53 LEU CA . 16470 1 90 . 2 2 37 37 LEU CB C 13 41.36 . . 1 . . . . 53 LEU CB . 16470 1 91 . 2 2 37 37 LEU N N 15 125.758 . . 1 . . . . 53 LEU N . 16470 1 92 . 2 2 38 38 VAL H H 1 8.513 . . 1 . . . . 54 VAL H . 16470 1 93 . 2 2 38 38 VAL CA C 13 58.84 . . 1 . . . . 54 VAL CA . 16470 1 94 . 2 2 38 38 VAL CB C 13 34.96 . . 1 . . . . 54 VAL CB . 16470 1 95 . 2 2 38 38 VAL N N 15 116.638 . . 1 . . . . 54 VAL N . 16470 1 96 . 2 2 39 39 ARG H H 1 8.803 . . 1 . . . . 55 ARG H . 16470 1 97 . 2 2 39 39 ARG CA C 13 55.49 . . 1 . . . . 55 ARG CA . 16470 1 98 . 2 2 39 39 ARG CB C 13 33.64 . . 1 . . . . 55 ARG CB . 16470 1 99 . 2 2 39 39 ARG N N 15 119.94 . . 1 . . . . 55 ARG N . 16470 1 100 . 2 2 40 40 TYR H H 1 9.168 . . 1 . . . . 56 TYR H . 16470 1 101 . 2 2 40 40 TYR CA C 13 58.52 . . 1 . . . . 56 TYR CA . 16470 1 102 . 2 2 40 40 TYR CB C 13 39.88 . . 1 . . . . 56 TYR CB . 16470 1 103 . 2 2 40 40 TYR N N 15 128.442 . . 1 . . . . 56 TYR N . 16470 1 104 . 2 2 41 41 MET H H 1 8.81 . . 1 . . . . 57 MET H . 16470 1 105 . 2 2 41 41 MET N N 15 123.321 . . 1 . . . . 57 MET N . 16470 1 106 . 2 2 42 42 GLY H H 1 5.395 . . 1 . . . . 58 GLY H . 16470 1 107 . 2 2 42 42 GLY CA C 13 42.84 . . 1 . . . . 58 GLY CA . 16470 1 108 . 2 2 42 42 GLY N N 15 132.05 . . 1 . . . . 58 GLY N . 16470 1 109 . 2 2 43 43 CYS H H 1 7.751 . . 1 . . . . 59 CYS H . 16470 1 110 . 2 2 43 43 CYS CA C 13 54.23 . . 1 . . . . 59 CYS CA . 16470 1 111 . 2 2 43 43 CYS CB C 13 32.08 . . 1 . . . . 59 CYS CB . 16470 1 112 . 2 2 43 43 CYS N N 15 107.3 . . 1 . . . . 59 CYS N . 16470 1 113 . 2 2 44 44 VAL H H 1 8.09 . . 1 . . . . 60 VAL H . 16470 1 114 . 2 2 44 44 VAL CA C 13 60.23 . . 1 . . . . 60 VAL CA . 16470 1 115 . 2 2 44 44 VAL CB C 13 35.43 . . 1 . . . . 60 VAL CB . 16470 1 116 . 2 2 44 44 VAL N N 15 117.818 . . 1 . . . . 60 VAL N . 16470 1 117 . 2 2 45 45 GLU H H 1 8.532 . . 1 . . . . 61 GLU H . 16470 1 118 . 2 2 45 45 GLU CA C 13 58.14 . . 1 . . . . 61 GLU CA . 16470 1 119 . 2 2 45 45 GLU CB C 13 31.99 . . 1 . . . . 61 GLU CB . 16470 1 120 . 2 2 45 45 GLU N N 15 127.955 . . 1 . . . . 61 GLU N . 16470 1 121 . 2 2 46 46 VAL H H 1 8.437 . . 1 . . . . 62 VAL H . 16470 1 122 . 2 2 46 46 VAL CA C 13 61.57 . . 1 . . . . 62 VAL CA . 16470 1 123 . 2 2 46 46 VAL CB C 13 31.37 . . 1 . . . . 62 VAL CB . 16470 1 124 . 2 2 46 46 VAL N N 15 124.455 . . 1 . . . . 62 VAL N . 16470 1 125 . 2 2 47 47 LEU H H 1 9.366 . . 1 . . . . 63 LEU H . 16470 1 126 . 2 2 47 47 LEU CA C 13 56.27 . . 1 . . . . 63 LEU CA . 16470 1 127 . 2 2 47 47 LEU CB C 13 42.14 . . 1 . . . . 63 LEU CB . 16470 1 128 . 2 2 47 47 LEU N N 15 126.281 . . 1 . . . . 63 LEU N . 16470 1 129 . 2 2 48 48 GLN H H 1 7.035 . . 1 . . . . 64 GLN H . 16470 1 130 . 2 2 48 48 GLN CA C 13 53.69 . . 1 . . . . 64 GLN CA . 16470 1 131 . 2 2 48 48 GLN CB C 13 33.09 . . 1 . . . . 64 GLN CB . 16470 1 132 . 2 2 48 48 GLN N N 15 115.89 . . 1 . . . . 64 GLN N . 16470 1 133 . 2 2 49 49 SER H H 1 8.246 . . 1 . . . . 65 SER H . 16470 1 134 . 2 2 49 49 SER CA C 13 58.14 . . 1 . . . . 65 SER CA . 16470 1 135 . 2 2 49 49 SER CB C 13 63.91 . . 1 . . . . 65 SER CB . 16470 1 136 . 2 2 49 49 SER N N 15 112.597 . . 1 . . . . 65 SER N . 16470 1 137 . 2 2 50 50 MET H H 1 8.328 . . 1 . . . . 66 MET H . 16470 1 138 . 2 2 50 50 MET CA C 13 54.94 . . 1 . . . . 66 MET CA . 16470 1 139 . 2 2 50 50 MET CB C 13 29.97 . . 1 . . . . 66 MET CB . 16470 1 140 . 2 2 50 50 MET N N 15 123.523 . . 1 . . . . 66 MET N . 16470 1 141 . 2 2 52 52 ALA H H 1 7.363 . . 1 . . . . 68 ALA H . 16470 1 142 . 2 2 52 52 ALA CA C 13 52.59 . . 1 . . . . 68 ALA CA . 16470 1 143 . 2 2 52 52 ALA CB C 13 18.97 . . 1 . . . . 68 ALA CB . 16470 1 144 . 2 2 52 52 ALA N N 15 119.273 . . 1 . . . . 68 ALA N . 16470 1 145 . 2 2 53 53 LEU H H 1 7.219 . . 1 . . . . 69 LEU H . 16470 1 146 . 2 2 53 53 LEU CA C 13 52.76 . . 1 . . . . 69 LEU CA . 16470 1 147 . 2 2 53 53 LEU CB C 13 43.7 . . 1 . . . . 69 LEU CB . 16470 1 148 . 2 2 53 53 LEU N N 15 118.71 . . 1 . . . . 69 LEU N . 16470 1 149 . 2 2 54 54 ASP H H 1 8.234 . . 1 . . . . 70 ASP H . 16470 1 150 . 2 2 54 54 ASP CA C 13 52.91 . . 1 . . . . 70 ASP CA . 16470 1 151 . 2 2 54 54 ASP CB C 13 41.05 . . 1 . . . . 70 ASP CB . 16470 1 152 . 2 2 54 54 ASP N N 15 119.782 . . 1 . . . . 70 ASP N . 16470 1 153 . 2 2 55 55 PHE H H 1 8.874 . . 1 . . . . 71 PHE H . 16470 1 154 . 2 2 55 55 PHE CA C 13 63.02 . . 1 . . . . 71 PHE CA . 16470 1 155 . 2 2 55 55 PHE CB C 13 39.43 . . 1 . . . . 71 PHE CB . 16470 1 156 . 2 2 55 55 PHE N N 15 121.059 . . 1 . . . . 71 PHE N . 16470 1 157 . 2 2 56 56 ASN H H 1 8.694 . . 1 . . . . 72 ASN H . 16470 1 158 . 2 2 56 56 ASN CA C 13 56.42 . . 1 . . . . 72 ASN CA . 16470 1 159 . 2 2 56 56 ASN CB C 13 38.01 . . 1 . . . . 72 ASN CB . 16470 1 160 . 2 2 56 56 ASN N N 15 116.651 . . 1 . . . . 72 ASN N . 16470 1 161 . 2 2 57 57 THR H H 1 8.338 . . 1 . . . . 73 THR H . 16470 1 162 . 2 2 57 57 THR CA C 13 67.27 . . 1 . . . . 73 THR CA . 16470 1 163 . 2 2 57 57 THR N N 15 119.646 . . 1 . . . . 73 THR N . 16470 1 164 . 2 2 58 58 ARG H H 1 8.294 . . 1 . . . . 74 ARG H . 16470 1 165 . 2 2 58 58 ARG CA C 13 60.87 . . 1 . . . . 74 ARG CA . 16470 1 166 . 2 2 58 58 ARG CB C 13 29.19 . . 1 . . . . 74 ARG CB . 16470 1 167 . 2 2 58 58 ARG N N 15 121.831 . . 1 . . . . 74 ARG N . 16470 1 168 . 2 2 59 59 THR H H 1 7.33 . . 1 . . . . 75 THR H . 16470 1 169 . 2 2 59 59 THR CA C 13 65.86 . . 1 . . . . 75 THR CA . 16470 1 170 . 2 2 59 59 THR N N 15 110.579 . . 1 . . . . 75 THR N . 16470 1 171 . 2 2 60 60 GLN H H 1 7.776 . . 1 . . . . 76 GLN H . 16470 1 172 . 2 2 60 60 GLN CA C 13 58.99 . . 1 . . . . 76 GLN CA . 16470 1 173 . 2 2 60 60 GLN CB C 13 27.94 . . 1 . . . . 76 GLN CB . 16470 1 174 . 2 2 60 60 GLN N N 15 123.139 . . 1 . . . . 76 GLN N . 16470 1 175 . 2 2 61 61 VAL H H 1 8.298 . . 1 . . . . 77 VAL H . 16470 1 176 . 2 2 61 61 VAL CA C 13 67.27 . . 1 . . . . 77 VAL CA . 16470 1 177 . 2 2 61 61 VAL CB C 13 31.37 . . 1 . . . . 77 VAL CB . 16470 1 178 . 2 2 61 61 VAL N N 15 120.306 . . 1 . . . . 77 VAL N . 16470 1 179 . 2 2 62 62 THR H H 1 7.492 . . 1 . . . . 78 THR H . 16470 1 180 . 2 2 62 62 THR CA C 13 65.79 . . 1 . . . . 78 THR CA . 16470 1 181 . 2 2 62 62 THR CB C 13 68.44 . . 1 . . . . 78 THR CB . 16470 1 182 . 2 2 62 62 THR N N 15 108.1 . . 1 . . . . 78 THR N . 16470 1 183 . 2 2 63 63 ARG H H 1 7.718 . . 1 . . . . 79 ARG H . 16470 1 184 . 2 2 63 63 ARG CA C 13 59.93 . . 1 . . . . 79 ARG CA . 16470 1 185 . 2 2 63 63 ARG CB C 13 30.28 . . 1 . . . . 79 ARG CB . 16470 1 186 . 2 2 63 63 ARG N N 15 121.61 . . 1 . . . . 79 ARG N . 16470 1 187 . 2 2 64 64 GLU H H 1 8.423 . . 1 . . . . 80 GLU H . 16470 1 188 . 2 2 64 64 GLU CA C 13 58.99 . . 1 . . . . 80 GLU CA . 16470 1 189 . 2 2 64 64 GLU CB C 13 29.03 . . 1 . . . . 80 GLU CB . 16470 1 190 . 2 2 64 64 GLU N N 15 120.453 . . 1 . . . . 80 GLU N . 16470 1 191 . 2 2 65 65 ALA H H 1 8.301 . . 1 . . . . 81 ALA H . 16470 1 192 . 2 2 65 65 ALA CA C 13 58.84 . . 1 . . . . 81 ALA CA . 16470 1 193 . 2 2 65 65 ALA CB C 13 18.49 . . 1 . . . . 81 ALA CB . 16470 1 194 . 2 2 65 65 ALA N N 15 122.813 . . 1 . . . . 81 ALA N . 16470 1 195 . 2 2 66 66 ILE H H 1 7.929 . . 1 . . . . 82 ILE H . 16470 1 196 . 2 2 66 66 ILE CA C 13 66.18 . . 1 . . . . 82 ILE CA . 16470 1 197 . 2 2 66 66 ILE CB C 13 38.71 . . 1 . . . . 82 ILE CB . 16470 1 198 . 2 2 66 66 ILE N N 15 116.16 . . 1 . . . . 82 ILE N . 16470 1 199 . 2 2 67 67 SER H H 1 7.617 . . 1 . . . . 83 SER H . 16470 1 200 . 2 2 67 67 SER N N 15 114.01 . . 1 . . . . 83 SER N . 16470 1 201 . 2 2 68 68 LEU H H 1 8.172 . . 1 . . . . 84 LEU H . 16470 1 202 . 2 2 68 68 LEU CA C 13 58.45 . . 1 . . . . 84 LEU CA . 16470 1 203 . 2 2 68 68 LEU CB C 13 42.61 . . 1 . . . . 84 LEU CB . 16470 1 204 . 2 2 68 68 LEU N N 15 121.03 . . 1 . . . . 84 LEU N . 16470 1 205 . 2 2 69 69 VAL H H 1 7.759 . . 1 . . . . 85 VAL H . 16470 1 206 . 2 2 69 69 VAL CA C 13 66.02 . . 1 . . . . 85 VAL CA . 16470 1 207 . 2 2 69 69 VAL CB C 13 30.83 . . 1 . . . . 85 VAL CB . 16470 1 208 . 2 2 69 69 VAL N N 15 115.48 . . 1 . . . . 85 VAL N . 16470 1 209 . 2 2 70 70 CYS H H 1 8.061 . . 1 . . . . 86 CYS H . 16470 1 210 . 2 2 70 70 CYS CA C 13 63.76 . . 1 . . . . 86 CYS CA . 16470 1 211 . 2 2 70 70 CYS CB C 13 26.61 . . 1 . . . . 86 CYS CB . 16470 1 212 . 2 2 70 70 CYS N N 15 117.418 . . 1 . . . . 86 CYS N . 16470 1 213 . 2 2 71 71 GLU H H 1 7.495 . . 1 . . . . 87 GLU H . 16470 1 214 . 2 2 71 71 GLU CA C 13 57.91 . . 1 . . . . 87 GLU CA . 16470 1 215 . 2 2 71 71 GLU CB C 13 29.81 . . 1 . . . . 87 GLU CB . 16470 1 216 . 2 2 71 71 GLU N N 15 116.65 . . 1 . . . . 87 GLU N . 16470 1 217 . 2 2 72 72 ALA H H 1 7.372 . . 1 . . . . 88 ALA H . 16470 1 218 . 2 2 72 72 ALA CA C 13 52.91 . . 1 . . . . 88 ALA CA . 16470 1 219 . 2 2 72 72 ALA CB C 13 21.15 . . 1 . . . . 88 ALA CB . 16470 1 220 . 2 2 72 72 ALA N N 15 120.03 . . 1 . . . . 88 ALA N . 16470 1 221 . 2 2 73 73 VAL H H 1 7.718 . . 1 . . . . 89 VAL H . 16470 1 222 . 2 2 73 73 VAL CA C 13 60.32 . . 1 . . . . 89 VAL CA . 16470 1 223 . 2 2 73 73 VAL CB C 13 33.25 . . 1 . . . . 89 VAL CB . 16470 1 224 . 2 2 73 73 VAL N N 15 120.476 . . 1 . . . . 89 VAL N . 16470 1 225 . 2 2 75 75 GLY H H 1 8.577 . . 1 . . . . 91 GLY H . 16470 1 226 . 2 2 75 75 GLY CA C 13 45.26 . . 1 . . . . 91 GLY CA . 16470 1 227 . 2 2 75 75 GLY N N 15 109.88 . . 1 . . . . 91 GLY N . 16470 1 228 . 2 2 76 76 ALA H H 1 8.146 . . 1 . . . . 92 ALA H . 16470 1 229 . 2 2 76 76 ALA CA C 13 53.3 . . 1 . . . . 92 ALA CA . 16470 1 230 . 2 2 76 76 ALA CB C 13 19.04 . . 1 . . . . 92 ALA CB . 16470 1 231 . 2 2 76 76 ALA N N 15 124.184 . . 1 . . . . 92 ALA N . 16470 1 232 . 2 2 77 77 LYS H H 1 8.777 . . 1 . . . . 93 LYS H . 16470 1 233 . 2 2 77 77 LYS CA C 13 57.92 . . 1 . . . . 93 LYS CA . 16470 1 234 . 2 2 77 77 LYS CB C 13 31.97 . . 1 . . . . 93 LYS CB . 16470 1 235 . 2 2 77 77 LYS N N 15 122.278 . . 1 . . . . 93 LYS N . 16470 1 236 . 2 2 78 78 GLY H H 1 8.627 . . 1 . . . . 94 GLY H . 16470 1 237 . 2 2 78 78 GLY CA C 13 45.65 . . 1 . . . . 94 GLY CA . 16470 1 238 . 2 2 78 78 GLY N N 15 106.561 . . 1 . . . . 94 GLY N . 16470 1 239 . 2 2 79 79 ALA H H 1 7.792 . . 1 . . . . 95 ALA H . 16470 1 240 . 2 2 79 79 ALA CA C 13 53.07 . . 1 . . . . 95 ALA CA . 16470 1 241 . 2 2 79 79 ALA CB C 13 19.67 . . 1 . . . . 95 ALA CB . 16470 1 242 . 2 2 79 79 ALA N N 15 122.677 . . 1 . . . . 95 ALA N . 16470 1 243 . 2 2 80 80 THR H H 1 8.129 . . 1 . . . . 96 THR H . 16470 1 244 . 2 2 80 80 THR CA C 13 61.96 . . 1 . . . . 96 THR CA . 16470 1 245 . 2 2 80 80 THR CB C 13 69.69 . . 1 . . . . 96 THR CB . 16470 1 246 . 2 2 80 80 THR N N 15 111.39 . . 1 . . . . 96 THR N . 16470 1 247 . 2 2 81 81 ARG H H 1 7.934 . . 1 . . . . 97 ARG H . 16470 1 248 . 2 2 81 81 ARG CA C 13 56.19 . . 1 . . . . 97 ARG CA . 16470 1 249 . 2 2 81 81 ARG CB C 13 30.83 . . 1 . . . . 97 ARG CB . 16470 1 250 . 2 2 81 81 ARG N N 15 122.06 . . 1 . . . . 97 ARG N . 16470 1 251 . 2 2 82 82 ARG H H 1 7.617 . . 1 . . . . 98 ARG H . 16470 1 252 . 2 2 82 82 ARG CA C 13 56.18 . . 1 . . . . 98 ARG CA . 16470 1 253 . 2 2 82 82 ARG CB C 13 30.6 . . 1 . . . . 98 ARG CB . 16470 1 254 . 2 2 82 82 ARG N N 15 118.631 . . 1 . . . . 98 ARG N . 16470 1 255 . 2 2 83 83 ARG H H 1 8.442 . . 1 . . . . 99 ARG H . 16470 1 256 . 2 2 83 83 ARG CA C 13 56.11 . . 1 . . . . 99 ARG CA . 16470 1 257 . 2 2 83 83 ARG CB C 13 30.98 . . 1 . . . . 99 ARG CB . 16470 1 258 . 2 2 83 83 ARG N N 15 123.487 . . 1 . . . . 99 ARG N . 16470 1 259 . 2 2 84 84 LYS H H 1 8.437 . . 1 . . . . 100 LYS H . 16470 1 260 . 2 2 84 84 LYS CA C 13 54.47 . . 1 . . . . 100 LYS CA . 16470 1 261 . 2 2 84 84 LYS CB C 13 32.54 . . 1 . . . . 100 LYS CB . 16470 1 262 . 2 2 84 84 LYS N N 15 124.455 . . 1 . . . . 100 LYS N . 16470 1 263 . 2 2 86 86 CYS H H 1 8.458 . . 1 . . . . 102 CYS H . 16470 1 264 . 2 2 86 86 CYS CA C 13 58.29 . . 1 . . . . 102 CYS CA . 16470 1 265 . 2 2 86 86 CYS CB C 13 28.25 . . 1 . . . . 102 CYS CB . 16470 1 266 . 2 2 86 86 CYS N N 15 119.835 . . 1 . . . . 102 CYS N . 16470 1 267 . 2 2 87 87 SER H H 1 8.246 . . 1 . . . . 103 SER H . 16470 1 268 . 2 2 87 87 SER CA C 13 58.68 . . 1 . . . . 103 SER CA . 16470 1 269 . 2 2 87 87 SER CB C 13 63.91 . . 1 . . . . 103 SER CB . 16470 1 270 . 2 2 87 87 SER N N 15 112.597 . . 1 . . . . 103 SER N . 16470 1 271 . 2 2 88 88 ARG H H 1 8.315 . . 1 . . . . 104 ARG H . 16470 1 272 . 2 2 88 88 ARG CA C 13 56.27 . . 1 . . . . 104 ARG CA . 16470 1 273 . 2 2 88 88 ARG CB C 13 30.59 . . 1 . . . . 104 ARG CB . 16470 1 274 . 2 2 88 88 ARG N N 15 122.38 . . 1 . . . . 104 ARG N . 16470 1 275 . 2 2 90 90 LEU H H 1 8.503 . . 1 . . . . 106 LEU H . 16470 1 276 . 2 2 90 90 LEU CA C 13 55.09 . . 1 . . . . 106 LEU CA . 16470 1 277 . 2 2 90 90 LEU CB C 13 41.15 . . 1 . . . . 106 LEU CB . 16470 1 278 . 2 2 90 90 LEU N N 15 121.43 . . 1 . . . . 106 LEU N . 16470 1 279 . 2 2 91 91 SER H H 1 8.326 . . 1 . . . . 107 SER H . 16470 1 280 . 2 2 91 91 SER CA C 13 60.32 . . 1 . . . . 107 SER CA . 16470 1 281 . 2 2 91 91 SER CB C 13 63.52 . . 1 . . . . 107 SER CB . 16470 1 282 . 2 2 91 91 SER N N 15 116.134 . . 1 . . . . 107 SER N . 16470 1 283 . 2 2 92 92 SER H H 1 8.225 . . 1 . . . . 108 SER H . 16470 1 284 . 2 2 92 92 SER CA C 13 58.61 . . 1 . . . . 108 SER CA . 16470 1 285 . 2 2 92 92 SER CB C 13 63.99 . . 1 . . . . 108 SER CB . 16470 1 286 . 2 2 92 92 SER N N 15 115.371 . . 1 . . . . 108 SER N . 16470 1 287 . 2 2 93 93 ILE H H 1 7.905 . . 1 . . . . 109 ILE H . 16470 1 288 . 2 2 93 93 ILE CA C 13 62.67 . . 1 . . . . 109 ILE CA . 16470 1 289 . 2 2 93 93 ILE CB C 13 39.72 . . 1 . . . . 109 ILE CB . 16470 1 290 . 2 2 93 93 ILE N N 15 119.68 . . 1 . . . . 109 ILE N . 16470 1 291 . 2 2 94 94 LEU H H 1 7.718 . . 1 . . . . 110 LEU H . 16470 1 292 . 2 2 94 94 LEU CA C 13 53.77 . . 1 . . . . 110 LEU CA . 16470 1 293 . 2 2 94 94 LEU CB C 13 42.84 . . 1 . . . . 110 LEU CB . 16470 1 294 . 2 2 94 94 LEU N N 15 120.476 . . 1 . . . . 110 LEU N . 16470 1 295 . 2 2 95 95 GLY H H 1 8.518 . . 1 . . . . 111 GLY H . 16470 1 296 . 2 2 95 95 GLY CA C 13 43.94 . . 1 . . . . 111 GLY CA . 16470 1 297 . 2 2 95 95 GLY N N 15 110.872 . . 1 . . . . 111 GLY N . 16470 1 298 . 2 2 96 96 ARG H H 1 9.064 . . 1 . . . . 112 ARG H . 16470 1 299 . 2 2 96 96 ARG CA C 13 56.42 . . 1 . . . . 112 ARG CA . 16470 1 300 . 2 2 96 96 ARG CB C 13 31.37 . . 1 . . . . 112 ARG CB . 16470 1 301 . 2 2 96 96 ARG N N 15 124.955 . . 1 . . . . 112 ARG N . 16470 1 302 . 2 2 97 97 SER H H 1 8.602 . . 1 . . . . 113 SER H . 16470 1 303 . 2 2 97 97 SER CA C 13 57.67 . . 1 . . . . 113 SER CA . 16470 1 304 . 2 2 97 97 SER CB C 13 65.01 . . 1 . . . . 113 SER CB . 16470 1 305 . 2 2 97 97 SER N N 15 117.392 . . 1 . . . . 113 SER N . 16470 1 306 . 2 2 98 98 ASN H H 1 9.188 . . 1 . . . . 114 ASN H . 16470 1 307 . 2 2 98 98 ASN CA C 13 52.76 . . 1 . . . . 114 ASN CA . 16470 1 308 . 2 2 98 98 ASN CB C 13 38.86 . . 1 . . . . 114 ASN CB . 16470 1 309 . 2 2 98 98 ASN N N 15 121.001 . . 1 . . . . 114 ASN N . 16470 1 310 . 2 2 99 99 LEU H H 1 9.084 . . 1 . . . . 115 LEU H . 16470 1 311 . 2 2 99 99 LEU CA C 13 52.71 . . 1 . . . . 115 LEU CA . 16470 1 312 . 2 2 99 99 LEU N N 15 125.5 . . 1 . . . . 115 LEU N . 16470 1 313 . 2 2 103 103 GLY H H 1 9.87 . . 1 . . . . 119 GLY H . 16470 1 314 . 2 2 103 103 GLY CA C 13 45.18 . . 1 . . . . 119 GLY CA . 16470 1 315 . 2 2 103 103 GLY N N 15 111.745 . . 1 . . . . 119 GLY N . 16470 1 316 . 2 2 104 104 MET H H 1 7.976 . . 1 . . . . 120 MET H . 16470 1 317 . 2 2 104 104 MET CA C 13 54.63 . . 1 . . . . 120 MET CA . 16470 1 318 . 2 2 104 104 MET CB C 13 34.89 . . 1 . . . . 120 MET CB . 16470 1 319 . 2 2 104 104 MET N N 15 122.577 . . 1 . . . . 120 MET N . 16470 1 320 . 2 2 106 106 ILE H H 1 9.261 . . 1 . . . . 122 ILE H . 16470 1 321 . 2 2 106 106 ILE CA C 13 59.31 . . 1 . . . . 122 ILE CA . 16470 1 322 . 2 2 106 106 ILE CB C 13 43.78 . . 1 . . . . 122 ILE CB . 16470 1 323 . 2 2 106 106 ILE N N 15 119.123 . . 1 . . . . 122 ILE N . 16470 1 324 . 2 2 107 107 THR H H 1 9.29 . . 1 . . . . 123 THR H . 16470 1 325 . 2 2 107 107 THR CA C 13 59.08 . . 1 . . . . 123 THR CA . 16470 1 326 . 2 2 107 107 THR CB C 13 69.3 . . 1 . . . . 123 THR CB . 16470 1 327 . 2 2 107 107 THR N N 15 116.927 . . 1 . . . . 123 THR N . 16470 1 328 . 2 2 108 108 LEU H H 1 9.668 . . 1 . . . . 124 LEU H . 16470 1 329 . 2 2 108 108 LEU CA C 13 52.91 . . 1 . . . . 124 LEU CA . 16470 1 330 . 2 2 108 108 LEU CB C 13 45.19 . . 1 . . . . 124 LEU CB . 16470 1 331 . 2 2 108 108 LEU N N 15 132.994 . . 1 . . . . 124 LEU N . 16470 1 332 . 2 2 109 109 THR H H 1 9.356 . . 1 . . . . 125 THR H . 16470 1 333 . 2 2 109 109 THR CA C 13 62.27 . . 1 . . . . 125 THR CA . 16470 1 334 . 2 2 109 109 THR CB C 13 69.84 . . 1 . . . . 125 THR CB . 16470 1 335 . 2 2 109 109 THR N N 15 123.758 . . 1 . . . . 125 THR N . 16470 1 336 . 2 2 110 110 VAL H H 1 9.417 . . 1 . . . . 126 VAL H . 16470 1 337 . 2 2 110 110 VAL CA C 13 62.04 . . 1 . . . . 126 VAL CA . 16470 1 338 . 2 2 110 110 VAL CB C 13 33.48 . . 1 . . . . 126 VAL CB . 16470 1 339 . 2 2 110 110 VAL N N 15 129.158 . . 1 . . . . 126 VAL N . 16470 1 340 . 2 2 111 111 SER H H 1 8.301 . . 1 . . . . 127 SER H . 16470 1 341 . 2 2 111 111 SER CA C 13 58.84 . . 1 . . . . 127 SER CA . 16470 1 342 . 2 2 111 111 SER CB C 13 68.36 . . 1 . . . . 127 SER CB . 16470 1 343 . 2 2 111 111 SER N N 15 122.813 . . 1 . . . . 127 SER N . 16470 1 344 . 2 2 112 112 THR H H 1 7.848 . . 1 . . . . 128 THR H . 16470 1 345 . 2 2 112 112 THR CA C 13 64.46 . . 1 . . . . 128 THR CA . 16470 1 346 . 2 2 112 112 THR CB C 13 68.67 . . 1 . . . . 128 THR CB . 16470 1 347 . 2 2 112 112 THR N N 15 103.13 . . 1 . . . . 128 THR N . 16470 1 348 . 2 2 113 113 SER H H 1 8.172 . . 1 . . . . 129 SER H . 16470 1 349 . 2 2 113 113 SER CA C 13 61.02 . . 1 . . . . 129 SER CA . 16470 1 350 . 2 2 113 113 SER N N 15 114.424 . . 1 . . . . 129 SER N . 16470 1 351 . 2 2 114 114 SER H H 1 7.587 . . 1 . . . . 130 SER H . 16470 1 352 . 2 2 114 114 SER CA C 13 58.14 . . 1 . . . . 130 SER CA . 16470 1 353 . 2 2 114 114 SER CB C 13 65.47 . . 1 . . . . 130 SER CB . 16470 1 354 . 2 2 114 114 SER N N 15 114.99 . . 1 . . . . 130 SER N . 16470 1 355 . 2 2 115 115 LEU H H 1 8.37 . . 1 . . . . 131 LEU H . 16470 1 356 . 2 2 115 115 LEU CA C 13 55.01 . . 1 . . . . 131 LEU CA . 16470 1 357 . 2 2 115 115 LEU CB C 13 41.99 . . 1 . . . . 131 LEU CB . 16470 1 358 . 2 2 115 115 LEU N N 15 117.735 . . 1 . . . . 131 LEU N . 16470 1 359 . 2 2 116 116 ASN H H 1 8.503 . . 1 . . . . 132 ASN H . 16470 1 360 . 2 2 116 116 ASN CA C 13 52.99 . . 1 . . . . 132 ASN CA . 16470 1 361 . 2 2 116 116 ASN CB C 13 42.69 . . 1 . . . . 132 ASN CB . 16470 1 362 . 2 2 116 116 ASN N N 15 121.43 . . 1 . . . . 132 ASN N . 16470 1 363 . 2 2 117 117 LEU H H 1 8.76 . . 1 . . . . 133 LEU H . 16470 1 364 . 2 2 117 117 LEU CA C 13 52.99 . . 1 . . . . 133 LEU CA . 16470 1 365 . 2 2 117 117 LEU CB C 13 42.84 . . 1 . . . . 133 LEU CB . 16470 1 366 . 2 2 117 117 LEU N N 15 126.6 . . 1 . . . . 133 LEU N . 16470 1 367 . 2 2 118 118 MET H H 1 8.328 . . 1 . . . . 134 MET H . 16470 1 368 . 2 2 118 118 MET CA C 13 53.54 . . 1 . . . . 134 MET CA . 16470 1 369 . 2 2 118 118 MET CB C 13 36.29 . . 1 . . . . 134 MET CB . 16470 1 370 . 2 2 118 118 MET N N 15 123.523 . . 1 . . . . 134 MET N . 16470 1 371 . 2 2 119 119 ALA H H 1 8.867 . . 1 . . . . 135 ALA H . 16470 1 372 . 2 2 119 119 ALA CA C 13 53.38 . . 1 . . . . 135 ALA CA . 16470 1 373 . 2 2 119 119 ALA CB C 13 20.21 . . 1 . . . . 135 ALA CB . 16470 1 374 . 2 2 119 119 ALA N N 15 128.043 . . 1 . . . . 135 ALA N . 16470 1 375 . 2 2 120 120 ALA H H 1 8.41 . . 1 . . . . 136 ALA H . 16470 1 376 . 2 2 120 120 ALA CA C 13 54.63 . . 1 . . . . 136 ALA CA . 16470 1 377 . 2 2 120 120 ALA CB C 13 18.58 . . 1 . . . . 136 ALA CB . 16470 1 378 . 2 2 120 120 ALA N N 15 125.156 . . 1 . . . . 136 ALA N . 16470 1 379 . 2 2 121 121 ASP H H 1 8.284 . . 1 . . . . 137 ASP H . 16470 1 380 . 2 2 121 121 ASP CA C 13 54.55 . . 1 . . . . 137 ASP CA . 16470 1 381 . 2 2 121 121 ASP CB C 13 40.11 . . 1 . . . . 137 ASP CB . 16470 1 382 . 2 2 121 121 ASP N N 15 114.77 . . 1 . . . . 137 ASP N . 16470 1 383 . 2 2 122 122 CYS H H 1 8.041 . . 1 . . . . 138 CYS H . 16470 1 384 . 2 2 122 122 CYS CA C 13 55.64 . . 1 . . . . 138 CYS CA . 16470 1 385 . 2 2 122 122 CYS CB C 13 32.08 . . 1 . . . . 138 CYS CB . 16470 1 386 . 2 2 122 122 CYS N N 15 125.3 . . 1 . . . . 138 CYS N . 16470 1 387 . 2 2 123 123 LYS H H 1 8.691 . . 1 . . . . 139 LYS H . 16470 1 388 . 2 2 123 123 LYS CA C 13 57.75 . . 1 . . . . 139 LYS CA . 16470 1 389 . 2 2 123 123 LYS CB C 13 30.59 . . 1 . . . . 139 LYS CB . 16470 1 390 . 2 2 123 123 LYS N N 15 125.454 . . 1 . . . . 139 LYS N . 16470 1 391 . 2 2 124 124 GLN H H 1 7.455 . . 1 . . . . 140 GLN H . 16470 1 392 . 2 2 124 124 GLN CA C 13 55.49 . . 1 . . . . 140 GLN CA . 16470 1 393 . 2 2 124 124 GLN CB C 13 30.6 . . 1 . . . . 140 GLN CB . 16470 1 394 . 2 2 124 124 GLN N N 15 118.059 . . 1 . . . . 140 GLN N . 16470 1 395 . 2 2 125 125 ILE H H 1 8.712 . . 1 . . . . 141 ILE H . 16470 1 396 . 2 2 125 125 ILE CA C 13 61.18 . . 1 . . . . 141 ILE CA . 16470 1 397 . 2 2 125 125 ILE CB C 13 37.93 . . 1 . . . . 141 ILE CB . 16470 1 398 . 2 2 125 125 ILE N N 15 126.697 . . 1 . . . . 141 ILE N . 16470 1 399 . 2 2 126 126 ILE H H 1 8.336 . . 1 . . . . 142 ILE H . 16470 1 400 . 2 2 126 126 ILE CA C 13 62.51 . . 1 . . . . 142 ILE CA . 16470 1 401 . 2 2 126 126 ILE CB C 13 37.77 . . 1 . . . . 142 ILE CB . 16470 1 402 . 2 2 126 126 ILE N N 15 129.301 . . 1 . . . . 142 ILE N . 16470 1 403 . 2 2 127 127 ALA H H 1 7.455 . . 1 . . . . 143 ALA H . 16470 1 404 . 2 2 127 127 ALA CA C 13 52.44 . . 1 . . . . 143 ALA CA . 16470 1 405 . 2 2 127 127 ALA CB C 13 20.92 . . 1 . . . . 143 ALA CB . 16470 1 406 . 2 2 127 127 ALA N N 15 118.059 . . 1 . . . . 143 ALA N . 16470 1 407 . 2 2 129 129 HIS H H 1 8.786 . . 1 . . . . 145 HIS H . 16470 1 408 . 2 2 129 129 HIS CA C 13 55.01 . . 1 . . . . 145 HIS CA . 16470 1 409 . 2 2 129 129 HIS CB C 13 31.69 . . 1 . . . . 145 HIS CB . 16470 1 410 . 2 2 129 129 HIS N N 15 125.252 . . 1 . . . . 145 HIS N . 16470 1 411 . 2 2 130 130 HIS H H 1 8.501 . . 1 . . . . 146 HIS H . 16470 1 412 . 2 2 130 130 HIS N N 15 120.345 . . 1 . . . . 146 HIS N . 16470 1 413 . 2 2 132 132 GLN H H 1 9.535 . . 1 . . . . 148 GLN H . 16470 1 414 . 2 2 132 132 GLN N N 15 116.909 . . 1 . . . . 148 GLN N . 16470 1 415 . 2 2 134 134 ILE H H 1 7.617 . . 1 . . . . 150 ILE H . 16470 1 416 . 2 2 134 134 ILE CA C 13 64.46 . . 1 . . . . 150 ILE CA . 16470 1 417 . 2 2 134 134 ILE CB C 13 39.49 . . 1 . . . . 150 ILE CB . 16470 1 418 . 2 2 134 134 ILE N N 15 124.87 . . 1 . . . . 150 ILE N . 16470 1 419 . 2 2 138 138 SER H H 1 9.477 . . 1 . . . . 154 SER H . 16470 1 420 . 2 2 138 138 SER CA C 13 57.19 . . 1 . . . . 154 SER CA . 16470 1 421 . 2 2 138 138 SER CB C 13 66.64 . . 1 . . . . 154 SER CB . 16470 1 422 . 2 2 138 138 SER N N 15 113.89 . . 1 . . . . 154 SER N . 16470 1 423 . 2 2 139 139 GLY H H 1 8.625 . . 1 . . . . 155 GLY H . 16470 1 424 . 2 2 139 139 GLY CA C 13 45.34 . . 1 . . . . 155 GLY CA . 16470 1 425 . 2 2 139 139 GLY N N 15 109.994 . . 1 . . . . 155 GLY N . 16470 1 426 . 2 2 140 140 GLY H H 1 8.512 . . 1 . . . . 156 GLY H . 16470 1 427 . 2 2 140 140 GLY CA C 13 45.11 . . 1 . . . . 156 GLY CA . 16470 1 428 . 2 2 140 140 GLY N N 15 106.141 . . 1 . . . . 156 GLY N . 16470 1 429 . 2 2 141 141 ASP H H 1 7.874 . . 1 . . . . 157 ASP H . 16470 1 430 . 2 2 141 141 ASP CA C 13 53.69 . . 1 . . . . 157 ASP CA . 16470 1 431 . 2 2 141 141 ASP CB C 13 41.13 . . 1 . . . . 157 ASP CB . 16470 1 432 . 2 2 141 141 ASP N N 15 121.376 . . 1 . . . . 157 ASP N . 16470 1 433 . 2 2 143 143 ASP H H 1 8.333 . . 1 . . . . 159 ASP H . 16470 1 434 . 2 2 143 143 ASP CA C 13 55.41 . . 1 . . . . 159 ASP CA . 16470 1 435 . 2 2 143 143 ASP CB C 13 40.89 . . 1 . . . . 159 ASP CB . 16470 1 436 . 2 2 143 143 ASP N N 15 113.426 . . 1 . . . . 159 ASP N . 16470 1 437 . 2 2 144 144 THR H H 1 8.043 . . 1 . . . . 160 THR H . 16470 1 438 . 2 2 144 144 THR CA C 13 59.78 . . 1 . . . . 160 THR CA . 16470 1 439 . 2 2 144 144 THR CB C 13 68.83 . . 1 . . . . 160 THR CB . 16470 1 440 . 2 2 144 144 THR N N 15 113.5 . . 1 . . . . 160 THR N . 16470 1 441 . 2 2 145 145 ALA H H 1 7.509 . . 1 . . . . 161 ALA H . 16470 1 442 . 2 2 145 145 ALA CA C 13 56.19 . . 1 . . . . 161 ALA CA . 16470 1 443 . 2 2 145 145 ALA CB C 13 19.04 . . 1 . . . . 161 ALA CB . 16470 1 444 . 2 2 145 145 ALA N N 15 123.69 . . 1 . . . . 161 ALA N . 16470 1 445 . 2 2 146 146 GLU H H 1 9.455 . . 1 . . . . 162 GLU H . 16470 1 446 . 2 2 146 146 GLU CA C 13 56.89 . . 1 . . . . 162 GLU CA . 16470 1 447 . 2 2 146 146 GLU CB C 13 28.33 . . 1 . . . . 162 GLU CB . 16470 1 448 . 2 2 146 146 GLU N N 15 117.391 . . 1 . . . . 162 GLU N . 16470 1 449 . 2 2 147 147 TYR H H 1 7.972 . . 1 . . . . 163 TYR H . 16470 1 450 . 2 2 147 147 TYR CA C 13 58.45 . . 1 . . . . 163 TYR CA . 16470 1 451 . 2 2 147 147 TYR CB C 13 41.83 . . 1 . . . . 163 TYR CB . 16470 1 452 . 2 2 147 147 TYR N N 15 117.953 . . 1 . . . . 163 TYR N . 16470 1 453 . 2 2 148 148 VAL H H 1 9.052 . . 1 . . . . 164 VAL H . 16470 1 454 . 2 2 148 148 VAL CA C 13 60.94 . . 1 . . . . 164 VAL CA . 16470 1 455 . 2 2 148 148 VAL CB C 13 35.91 . . 1 . . . . 164 VAL CB . 16470 1 456 . 2 2 148 148 VAL N N 15 121.045 . . 1 . . . . 164 VAL N . 16470 1 457 . 2 2 149 149 ALA H H 1 9.262 . . 1 . . . . 165 ALA H . 16470 1 458 . 2 2 149 149 ALA CA C 13 49.63 . . 1 . . . . 165 ALA CA . 16470 1 459 . 2 2 149 149 ALA CB C 13 24.35 . . 1 . . . . 165 ALA CB . 16470 1 460 . 2 2 149 149 ALA N N 15 127.934 . . 1 . . . . 165 ALA N . 16470 1 461 . 2 2 150 150 TYR H H 1 8.765 . . 1 . . . . 166 TYR H . 16470 1 462 . 2 2 150 150 TYR CA C 13 56.89 . . 1 . . . . 166 TYR CA . 16470 1 463 . 2 2 150 150 TYR N N 15 116.099 . . 1 . . . . 166 TYR N . 16470 1 464 . 2 2 151 151 VAL H H 1 9.02 . . 1 . . . . 167 VAL H . 16470 1 465 . 2 2 151 151 VAL CA C 13 61.49 . . 1 . . . . 167 VAL CA . 16470 1 466 . 2 2 151 151 VAL CB C 13 32.4 . . 1 . . . . 167 VAL CB . 16470 1 467 . 2 2 151 151 VAL N N 15 122.473 . . 1 . . . . 167 VAL N . 16470 1 468 . 2 2 152 152 ALA H H 1 8.936 . . 1 . . . . 168 ALA H . 16470 1 469 . 2 2 152 152 ALA CA C 13 49.71 . . 1 . . . . 168 ALA CA . 16470 1 470 . 2 2 152 152 ALA CB C 13 23.73 . . 1 . . . . 168 ALA CB . 16470 1 471 . 2 2 152 152 ALA N N 15 128.361 . . 1 . . . . 168 ALA N . 16470 1 472 . 2 2 153 153 LYS H H 1 7.317 . . 1 . . . . 169 LYS H . 16470 1 473 . 2 2 153 153 LYS CA C 13 55.09 . . 1 . . . . 169 LYS CA . 16470 1 474 . 2 2 153 153 LYS CB C 13 35.83 . . 1 . . . . 169 LYS CB . 16470 1 475 . 2 2 153 153 LYS N N 15 118.039 . . 1 . . . . 169 LYS N . 16470 1 476 . 2 2 154 154 ASP H H 1 8.269 . . 1 . . . . 170 ASP H . 16470 1 477 . 2 2 154 154 ASP N N 15 122.38 . . 1 . . . . 170 ASP N . 16470 1 478 . 2 2 156 156 VAL H H 1 8.548 . . 1 . . . . 172 VAL H . 16470 1 479 . 2 2 156 156 VAL CA C 13 64.45 . . 1 . . . . 172 VAL CA . 16470 1 480 . 2 2 156 156 VAL CB C 13 33.02 . . 1 . . . . 172 VAL CB . 16470 1 481 . 2 2 156 156 VAL N N 15 117.65 . . 1 . . . . 172 VAL N . 16470 1 482 . 2 2 157 157 ASN H H 1 9.426 . . 1 . . . . 173 ASN H . 16470 1 483 . 2 2 157 157 ASN CA C 13 54.08 . . 1 . . . . 173 ASN CA . 16470 1 484 . 2 2 157 157 ASN CB C 13 40.27 . . 1 . . . . 173 ASN CB . 16470 1 485 . 2 2 157 157 ASN N N 15 117.552 . . 1 . . . . 173 ASN N . 16470 1 486 . 2 2 158 158 GLN H H 1 7.876 . . 1 . . . . 174 GLN H . 16470 1 487 . 2 2 158 158 GLN CA C 13 56.81 . . 1 . . . . 174 GLN CA . 16470 1 488 . 2 2 158 158 GLN CB C 13 25.53 . . 1 . . . . 174 GLN CB . 16470 1 489 . 2 2 158 158 GLN N N 15 113.141 . . 1 . . . . 174 GLN N . 16470 1 490 . 2 2 159 159 ARG H H 1 7.982 . . 1 . . . . 175 ARG H . 16470 1 491 . 2 2 159 159 ARG CA C 13 56.34 . . 1 . . . . 175 ARG CA . 16470 1 492 . 2 2 159 159 ARG CB C 13 29.97 . . 1 . . . . 175 ARG CB . 16470 1 493 . 2 2 159 159 ARG N N 15 124.43 . . 1 . . . . 175 ARG N . 16470 1 494 . 2 2 160 160 ALA H H 1 9.254 . . 1 . . . . 176 ALA H . 16470 1 495 . 2 2 160 160 ALA CA C 13 51.35 . . 1 . . . . 176 ALA CA . 16470 1 496 . 2 2 160 160 ALA CB C 13 22.48 . . 1 . . . . 176 ALA CB . 16470 1 497 . 2 2 160 160 ALA N N 15 129.257 . . 1 . . . . 176 ALA N . 16470 1 498 . 2 2 161 161 CYS H H 1 9.243 . . 1 . . . . 177 CYS H . 16470 1 499 . 2 2 161 161 CYS CA C 13 56.57 . . 1 . . . . 177 CYS CA . 16470 1 500 . 2 2 161 161 CYS CB C 13 27.07 . . 1 . . . . 177 CYS CB . 16470 1 501 . 2 2 161 161 CYS N N 15 121.209 . . 1 . . . . 177 CYS N . 16470 1 502 . 2 2 162 162 HIS H H 1 9.363 . . 1 . . . . 178 HIS H . 16470 1 503 . 2 2 162 162 HIS CA C 13 56.42 . . 1 . . . . 178 HIS CA . 16470 1 504 . 2 2 162 162 HIS N N 15 131.061 . . 1 . . . . 178 HIS N . 16470 1 505 . 2 2 163 163 ILE H H 1 7.912 . . 1 . . . . 179 ILE H . 16470 1 506 . 2 2 163 163 ILE CA C 13 60.16 . . 1 . . . . 179 ILE CA . 16470 1 507 . 2 2 163 163 ILE CB C 13 39.34 . . 1 . . . . 179 ILE CB . 16470 1 508 . 2 2 163 163 ILE N N 15 120.03 . . 1 . . . . 179 ILE N . 16470 1 509 . 2 2 164 164 LEU H H 1 9.532 . . 1 . . . . 180 LEU H . 16470 1 510 . 2 2 164 164 LEU CA C 13 52.52 . . 1 . . . . 180 LEU CA . 16470 1 511 . 2 2 164 164 LEU CB C 13 43.94 . . 1 . . . . 180 LEU CB . 16470 1 512 . 2 2 164 164 LEU N N 15 126.082 . . 1 . . . . 180 LEU N . 16470 1 513 . 2 2 165 165 GLU H H 1 9.556 . . 1 . . . . 181 GLU H . 16470 1 514 . 2 2 165 165 GLU CA C 13 55.72 . . 1 . . . . 181 GLU CA . 16470 1 515 . 2 2 165 165 GLU CB C 13 33.79 . . 1 . . . . 181 GLU CB . 16470 1 516 . 2 2 165 165 GLU N N 15 124.553 . . 1 . . . . 181 GLU N . 16470 1 517 . 2 2 166 166 CYS H H 1 9.12 . . 1 . . . . 182 CYS H . 16470 1 518 . 2 2 166 166 CYS CA C 13 56.27 . . 1 . . . . 182 CYS CA . 16470 1 519 . 2 2 166 166 CYS CB C 13 28.41 . . 1 . . . . 182 CYS CB . 16470 1 520 . 2 2 166 166 CYS N N 15 127.686 . . 1 . . . . 182 CYS N . 16470 1 521 . 2 2 168 168 GLU H H 1 8.843 . . 1 . . . . 184 GLU H . 16470 1 522 . 2 2 168 168 GLU CA C 13 58.53 . . 1 . . . . 184 GLU CA . 16470 1 523 . 2 2 168 168 GLU CB C 13 28.91 . . 1 . . . . 184 GLU CB . 16470 1 524 . 2 2 168 168 GLU N N 15 120.631 . . 1 . . . . 184 GLU N . 16470 1 525 . 2 2 169 169 GLY H H 1 8.885 . . 1 . . . . 185 GLY H . 16470 1 526 . 2 2 169 169 GLY CA C 13 45.81 . . 1 . . . . 185 GLY CA . 16470 1 527 . 2 2 169 169 GLY N N 15 111.054 . . 1 . . . . 185 GLY N . 16470 1 528 . 2 2 170 170 LEU H H 1 7.926 . . 1 . . . . 186 LEU H . 16470 1 529 . 2 2 170 170 LEU CA C 13 55.79 . . 1 . . . . 186 LEU CA . 16470 1 530 . 2 2 170 170 LEU CB C 13 44.41 . . 1 . . . . 186 LEU CB . 16470 1 531 . 2 2 170 170 LEU N N 15 120.591 . . 1 . . . . 186 LEU N . 16470 1 532 . 2 2 171 171 ALA H H 1 8.665 . . 1 . . . . 187 ALA H . 16470 1 533 . 2 2 171 171 ALA CA C 13 56.66 . . 1 . . . . 187 ALA CA . 16470 1 534 . 2 2 171 171 ALA CB C 13 18.65 . . 1 . . . . 187 ALA CB . 16470 1 535 . 2 2 171 171 ALA N N 15 123.697 . . 1 . . . . 187 ALA N . 16470 1 536 . 2 2 172 172 GLN H H 1 8.259 . . 1 . . . . 188 GLN H . 16470 1 537 . 2 2 172 172 GLN CA C 13 58.99 . . 1 . . . . 188 GLN CA . 16470 1 538 . 2 2 172 172 GLN CB C 13 27.78 . . 1 . . . . 188 GLN CB . 16470 1 539 . 2 2 172 172 GLN N N 15 113.715 . . 1 . . . . 188 GLN N . 16470 1 540 . 2 2 173 173 ASP H H 1 7.425 . . 1 . . . . 189 ASP H . 16470 1 541 . 2 2 173 173 ASP CA C 13 56.73 . . 1 . . . . 189 ASP CA . 16470 1 542 . 2 2 173 173 ASP CB C 13 40.66 . . 1 . . . . 189 ASP CB . 16470 1 543 . 2 2 173 173 ASP N N 15 122.78 . . 1 . . . . 189 ASP N . 16470 1 544 . 2 2 174 174 VAL H H 1 8.08 . . 1 . . . . 190 VAL H . 16470 1 545 . 2 2 174 174 VAL CA C 13 67.58 . . 1 . . . . 190 VAL CA . 16470 1 546 . 2 2 174 174 VAL CB C 13 30.83 . . 1 . . . . 190 VAL CB . 16470 1 547 . 2 2 174 174 VAL N N 15 121.532 . . 1 . . . . 190 VAL N . 16470 1 548 . 2 2 175 175 ILE H H 1 8.286 . . 1 . . . . 191 ILE H . 16470 1 549 . 2 2 175 175 ILE N N 15 115.504 . . 1 . . . . 191 ILE N . 16470 1 550 . 2 2 179 179 GLY H H 1 7.584 . . 1 . . . . 195 GLY H . 16470 1 551 . 2 2 179 179 GLY CA C 13 47.21 . . 1 . . . . 195 GLY CA . 16470 1 552 . 2 2 179 179 GLY N N 15 105.11 . . 1 . . . . 195 GLY N . 16470 1 553 . 2 2 181 181 ALA H H 1 7.834 . . 1 . . . . 197 ALA H . 16470 1 554 . 2 2 181 181 ALA CA C 13 55.49 . . 1 . . . . 197 ALA CA . 16470 1 555 . 2 2 181 181 ALA CB C 13 17.56 . . 1 . . . . 197 ALA CB . 16470 1 556 . 2 2 181 181 ALA N N 15 121.189 . . 1 . . . . 197 ALA N . 16470 1 557 . 2 2 182 182 PHE H H 1 8.361 . . 1 . . . . 198 PHE H . 16470 1 558 . 2 2 182 182 PHE CA C 13 57.74 . . 1 . . . . 198 PHE CA . 16470 1 559 . 2 2 182 182 PHE CB C 13 42.3 . . 1 . . . . 198 PHE CB . 16470 1 560 . 2 2 182 182 PHE N N 15 115.202 . . 1 . . . . 198 PHE N . 16470 1 561 . 2 2 183 183 GLU H H 1 8.114 . . 1 . . . . 199 GLU H . 16470 1 562 . 2 2 183 183 GLU CA C 13 58.92 . . 1 . . . . 199 GLU CA . 16470 1 563 . 2 2 183 183 GLU CB C 13 29.89 . . 1 . . . . 199 GLU CB . 16470 1 564 . 2 2 183 183 GLU N N 15 118.37 . . 1 . . . . 199 GLU N . 16470 1 565 . 2 2 187 187 LYS H H 1 7.522 . . 1 . . . . 203 LYS H . 16470 1 566 . 2 2 187 187 LYS N N 15 120 . . 1 . . . . 203 LYS N . 16470 1 567 . 2 2 191 191 ARG H H 1 7.357 . . 1 . . . . 207 ARG H . 16470 1 568 . 2 2 191 191 ARG CA C 13 58.29 . . 1 . . . . 207 ARG CA . 16470 1 569 . 2 2 191 191 ARG CB C 13 31.22 . . 1 . . . . 207 ARG CB . 16470 1 570 . 2 2 191 191 ARG N N 15 124.78 . . 1 . . . . 207 ARG N . 16470 1 stop_ save_