data_7140 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7140 _Entry.Title ; Csk SH2 domain, free form ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-06-02 _Entry.Accession_date 2006-06-02 _Entry.Last_release_date 2011-05-26 _Entry.Original_release_date 2011-05-26 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details 'Human Csk SH2 domain contain 73-178' _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 Dongsheng Liu . . . 7140 2 David Cowburn . . . 7140 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7140 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 179 7140 '15N chemical shifts' 92 7140 '1H chemical shifts' 92 7140 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 . . 2011-05-26 2006-06-02 original author . 7140 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 7141 'Csk with Cbp' 7140 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7140 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Domain interactions in protein tyrosine kinase Csk identified by segmental labeling NMR methods' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 David Cowburn . . . 7140 1 2 Dongsheng Liu . . . 7140 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7140 _Assembly.ID 1 _Assembly.Name 'SH2 domain of human Csk' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'SH2 domain of human Csk' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 7140 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'SH2 domain of human Csk' 1 $SH2_domain_of_Human_Csk . . yes native no no . . . 7140 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'cell comunication' 7140 1 'signal transduction' 7140 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SH2_domain_of_Human_Csk _Entity.Sf_category entity _Entity.Sf_framecode SH2_domain_of_Human_Csk _Entity.Entry_ID 7140 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SH2 _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 ; AGTKLSLMPWFHGKITREQA ERLLYPPETGLFLVRESTNY PGDYTLCVSCDGKVEHYRIM YHASKLSIDEEVYFENLMQL VEHYTSDADGLCTRLIKPKV MEGTVA ; _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 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 7141 . SH2 . . . . . 100.00 106 100.00 100.00 1.17e-72 . . . . 7140 1 2 no PDB 1K9A . "Crystal Structure Analysis Of Full-Length Carboxyl-Terminal Src Kinase At 2.5 A Resolution" . . . . . 100.00 450 98.11 100.00 6.79e-68 . . . . 7140 1 3 no PDB 3EAC . "Crystal Structure Of Sh2 Domain Of Human Csk (carboxyl-terminal Src Kinase), Oxidized Form" . . . . . 100.00 106 100.00 100.00 1.17e-72 . . . . 7140 1 4 no PDB 3EAZ . "Crystal Structure Of Sh2 Domain Of Human Csk (Carboxyl- Terminal Src Kinase), C122s Mutant" . . . . . 100.00 106 99.06 99.06 1.16e-71 . . . . 7140 1 5 no DBJ BAD97346 . "c-src tyrosine kinase variant [Homo sapiens]" . . . . . 100.00 449 100.00 100.00 4.78e-69 . . . . 7140 1 6 no DBJ BAE23297 . "unnamed protein product [Mus musculus]" . . . . . 100.00 450 98.11 100.00 6.04e-68 . . . . 7140 1 7 no DBJ BAE33565 . "unnamed protein product [Mus musculus]" . . . . . 100.00 450 98.11 100.00 6.51e-68 . . . . 7140 1 8 no DBJ BAE42047 . "unnamed protein product [Mus musculus]" . . . . . 100.00 450 98.11 100.00 6.51e-68 . . . . 7140 1 9 no DBJ BAF83220 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 450 99.06 99.06 1.88e-68 . . . . 7140 1 10 no EMBL CAA41484 . "protein-tyrosine kinase (CSK) [Rattus sp.]" . . . . . 100.00 450 98.11 100.00 6.79e-68 . . . . 7140 1 11 no EMBL CAA42556 . "c-src-kinase [Homo sapiens]" . . . . . 100.00 450 100.00 100.00 4.59e-69 . . . . 7140 1 12 no EMBL CAA42713 . "put. cytoplasmic tyrosine kinase [Homo sapiens]" . . . . . 100.00 450 100.00 100.00 4.59e-69 . . . . 7140 1 13 no EMBL CAB58562 . "protein tyrosine kinase [Homo sapiens]" . . . . . 100.00 450 100.00 100.00 4.59e-69 . . . . 7140 1 14 no EMBL CAG46758 . "CSK [Homo sapiens]" . . . . . 100.00 450 100.00 100.00 4.59e-69 . . . . 7140 1 15 no GB AAA18766 . "Csk [Mus musculus]" . . . . . 100.00 450 98.11 100.00 3.94e-68 . . . . 7140 1 16 no GB AAH18394 . "C-src tyrosine kinase [Mus musculus]" . . . . . 100.00 450 98.11 100.00 6.51e-68 . . . . 7140 1 17 no GB AAH52006 . "C-src tyrosine kinase [Mus musculus]" . . . . . 100.00 450 98.11 100.00 6.51e-68 . . . . 7140 1 18 no GB AAH98863 . "C-src tyrosine kinase [Rattus norvegicus]" . . . . . 100.00 450 98.11 100.00 6.79e-68 . . . . 7140 1 19 no GB AAI04848 . "C-src tyrosine kinase [Homo sapiens]" . . . . . 100.00 450 100.00 100.00 4.59e-69 . . . . 7140 1 20 no PRF 1709363A . "protein Tyr kinase CSK" . . . . . 100.00 450 98.11 100.00 6.79e-68 . . . . 7140 1 21 no REF NP_001025210 . "tyrosine-protein kinase CSK [Rattus norvegicus]" . . . . . 100.00 450 98.11 100.00 6.79e-68 . . . . 7140 1 22 no REF NP_001068865 . "tyrosine-protein kinase CSK [Bos taurus]" . . . . . 100.00 450 99.06 99.06 7.56e-68 . . . . 7140 1 23 no REF NP_001120662 . "tyrosine-protein kinase CSK [Homo sapiens]" . . . . . 100.00 450 100.00 100.00 4.59e-69 . . . . 7140 1 24 no REF NP_001177102 . "c-src tyrosine kinase [Sus scrofa]" . . . . . 100.00 450 98.11 99.06 2.45e-67 . . . . 7140 1 25 no REF NP_001248565 . "tyrosine-protein kinase CSK [Macaca mulatta]" . . . . . 100.00 450 100.00 100.00 4.30e-69 . . . . 7140 1 26 no SP P32577 . "RecName: Full=Tyrosine-protein kinase CSK; AltName: Full=C-Src kinase [Rattus norvegicus]" . . . . . 100.00 450 98.11 100.00 6.79e-68 . . . . 7140 1 27 no SP P41240 . "RecName: Full=Tyrosine-protein kinase CSK; AltName: Full=C-Src kinase; AltName: Full=Protein-tyrosine kinase CYL [Homo sapiens]" . . . . . 100.00 450 100.00 100.00 4.59e-69 . . . . 7140 1 28 no SP P41241 . "RecName: Full=Tyrosine-protein kinase CSK; AltName: Full=C-Src kinase; AltName: Full=Protein-tyrosine kinase MPK-2; AltName: Fu" . . . . . 100.00 450 98.11 100.00 6.51e-68 . . . . 7140 1 29 no SP Q0VBZ0 . "RecName: Full=Tyrosine-protein kinase CSK; AltName: Full=C-Src kinase [Bos taurus]" . . . . . 100.00 450 99.06 99.06 7.56e-68 . . . . 7140 1 30 no TPG DAA17512 . "TPA: tyrosine-protein kinase CSK [Bos taurus]" . . . . . 100.00 450 99.06 99.06 7.56e-68 . . . . 7140 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 73 ALA . 7140 1 2 74 GLY . 7140 1 3 75 THR . 7140 1 4 76 LYS . 7140 1 5 77 LEU . 7140 1 6 78 SER . 7140 1 7 79 LEU . 7140 1 8 80 MET . 7140 1 9 81 PRO . 7140 1 10 82 TRP . 7140 1 11 83 PHE . 7140 1 12 84 HIS . 7140 1 13 85 GLY . 7140 1 14 86 LYS . 7140 1 15 87 ILE . 7140 1 16 88 THR . 7140 1 17 89 ARG . 7140 1 18 90 GLU . 7140 1 19 91 GLN . 7140 1 20 92 ALA . 7140 1 21 93 GLU . 7140 1 22 94 ARG . 7140 1 23 95 LEU . 7140 1 24 96 LEU . 7140 1 25 97 TYR . 7140 1 26 98 PRO . 7140 1 27 99 PRO . 7140 1 28 100 GLU . 7140 1 29 101 THR . 7140 1 30 102 GLY . 7140 1 31 103 LEU . 7140 1 32 104 PHE . 7140 1 33 105 LEU . 7140 1 34 106 VAL . 7140 1 35 107 ARG . 7140 1 36 108 GLU . 7140 1 37 109 SER . 7140 1 38 110 THR . 7140 1 39 111 ASN . 7140 1 40 112 TYR . 7140 1 41 113 PRO . 7140 1 42 114 GLY . 7140 1 43 115 ASP . 7140 1 44 116 TYR . 7140 1 45 117 THR . 7140 1 46 118 LEU . 7140 1 47 119 CYS . 7140 1 48 120 VAL . 7140 1 49 121 SER . 7140 1 50 122 CYS . 7140 1 51 123 ASP . 7140 1 52 124 GLY . 7140 1 53 125 LYS . 7140 1 54 126 VAL . 7140 1 55 127 GLU . 7140 1 56 128 HIS . 7140 1 57 129 TYR . 7140 1 58 130 ARG . 7140 1 59 131 ILE . 7140 1 60 132 MET . 7140 1 61 133 TYR . 7140 1 62 134 HIS . 7140 1 63 135 ALA . 7140 1 64 136 SER . 7140 1 65 137 LYS . 7140 1 66 138 LEU . 7140 1 67 139 SER . 7140 1 68 140 ILE . 7140 1 69 141 ASP . 7140 1 70 142 GLU . 7140 1 71 143 GLU . 7140 1 72 144 VAL . 7140 1 73 145 TYR . 7140 1 74 146 PHE . 7140 1 75 147 GLU . 7140 1 76 148 ASN . 7140 1 77 149 LEU . 7140 1 78 150 MET . 7140 1 79 151 GLN . 7140 1 80 152 LEU . 7140 1 81 153 VAL . 7140 1 82 154 GLU . 7140 1 83 155 HIS . 7140 1 84 156 TYR . 7140 1 85 157 THR . 7140 1 86 158 SER . 7140 1 87 159 ASP . 7140 1 88 160 ALA . 7140 1 89 161 ASP . 7140 1 90 162 GLY . 7140 1 91 163 LEU . 7140 1 92 164 CYS . 7140 1 93 165 THR . 7140 1 94 166 ARG . 7140 1 95 167 LEU . 7140 1 96 168 ILE . 7140 1 97 169 LYS . 7140 1 98 170 PRO . 7140 1 99 171 LYS . 7140 1 100 172 VAL . 7140 1 101 173 MET . 7140 1 102 174 GLU . 7140 1 103 175 GLY . 7140 1 104 176 THR . 7140 1 105 177 VAL . 7140 1 106 178 ALA . 7140 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 . ALA 1 1 7140 1 . GLY 2 2 7140 1 . THR 3 3 7140 1 . LYS 4 4 7140 1 . LEU 5 5 7140 1 . SER 6 6 7140 1 . LEU 7 7 7140 1 . MET 8 8 7140 1 . PRO 9 9 7140 1 . TRP 10 10 7140 1 . PHE 11 11 7140 1 . HIS 12 12 7140 1 . GLY 13 13 7140 1 . LYS 14 14 7140 1 . ILE 15 15 7140 1 . THR 16 16 7140 1 . ARG 17 17 7140 1 . GLU 18 18 7140 1 . GLN 19 19 7140 1 . ALA 20 20 7140 1 . GLU 21 21 7140 1 . ARG 22 22 7140 1 . LEU 23 23 7140 1 . LEU 24 24 7140 1 . TYR 25 25 7140 1 . PRO 26 26 7140 1 . PRO 27 27 7140 1 . GLU 28 28 7140 1 . THR 29 29 7140 1 . GLY 30 30 7140 1 . LEU 31 31 7140 1 . PHE 32 32 7140 1 . LEU 33 33 7140 1 . VAL 34 34 7140 1 . ARG 35 35 7140 1 . GLU 36 36 7140 1 . SER 37 37 7140 1 . THR 38 38 7140 1 . ASN 39 39 7140 1 . TYR 40 40 7140 1 . PRO 41 41 7140 1 . GLY 42 42 7140 1 . ASP 43 43 7140 1 . TYR 44 44 7140 1 . THR 45 45 7140 1 . LEU 46 46 7140 1 . CYS 47 47 7140 1 . VAL 48 48 7140 1 . SER 49 49 7140 1 . CYS 50 50 7140 1 . ASP 51 51 7140 1 . GLY 52 52 7140 1 . LYS 53 53 7140 1 . VAL 54 54 7140 1 . GLU 55 55 7140 1 . HIS 56 56 7140 1 . TYR 57 57 7140 1 . ARG 58 58 7140 1 . ILE 59 59 7140 1 . MET 60 60 7140 1 . TYR 61 61 7140 1 . HIS 62 62 7140 1 . ALA 63 63 7140 1 . SER 64 64 7140 1 . LYS 65 65 7140 1 . LEU 66 66 7140 1 . SER 67 67 7140 1 . ILE 68 68 7140 1 . ASP 69 69 7140 1 . GLU 70 70 7140 1 . GLU 71 71 7140 1 . VAL 72 72 7140 1 . TYR 73 73 7140 1 . PHE 74 74 7140 1 . GLU 75 75 7140 1 . ASN 76 76 7140 1 . LEU 77 77 7140 1 . MET 78 78 7140 1 . GLN 79 79 7140 1 . LEU 80 80 7140 1 . VAL 81 81 7140 1 . GLU 82 82 7140 1 . HIS 83 83 7140 1 . TYR 84 84 7140 1 . THR 85 85 7140 1 . SER 86 86 7140 1 . ASP 87 87 7140 1 . ALA 88 88 7140 1 . ASP 89 89 7140 1 . GLY 90 90 7140 1 . LEU 91 91 7140 1 . CYS 92 92 7140 1 . THR 93 93 7140 1 . ARG 94 94 7140 1 . LEU 95 95 7140 1 . ILE 96 96 7140 1 . LYS 97 97 7140 1 . PRO 98 98 7140 1 . LYS 99 99 7140 1 . VAL 100 100 7140 1 . MET 101 101 7140 1 . GLU 102 102 7140 1 . GLY 103 103 7140 1 . THR 104 104 7140 1 . VAL 105 105 7140 1 . ALA 106 106 7140 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 7140 _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 $SH2_domain_of_Human_Csk . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7140 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 7140 _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 $SH2_domain_of_Human_Csk . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7140 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7140 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SH2 '[U-95% 13C; U-90% 15N]' . . 1 $SH2_domain_of_Human_Csk . protein 0.8 0.1 1.5 mM 0.1 . . . 7140 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7140 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.5 0.1 pH 7140 1 pressure 1 0.01 atm 7140 1 temperature 298 0.1 K 7140 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 7140 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7140 _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 1H15N_HSQC_(example) no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 7140 1 2 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 7140 1 3 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 7140 1 4 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $800MHz_spectrometer . . . . . . . . . . . . . . . . 7140 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7140 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 7140 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7140 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7140 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7140 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 7140 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 5 5 LEU CA C 13 56.817 0.2 . 1 . . . . 77 LEU CA . 7140 1 2 . 1 1 5 5 LEU CB C 13 41.786 0.2 . 1 . . . . 77 LEU CB . 7140 1 3 . 1 1 6 6 SER H H 1 7.940 0.02 . 1 . . . . 78 SER H . 7140 1 4 . 1 1 6 6 SER CA C 13 59.537 0.2 . 1 . . . . 78 SER CA . 7140 1 5 . 1 1 6 6 SER CB C 13 63.151 0.2 . 1 . . . . 78 SER CB . 7140 1 6 . 1 1 6 6 SER N N 15 112.623 0.1 . 1 . . . . 78 SER N . 7140 1 7 . 1 1 7 7 LEU H H 1 7.674 0.02 . 1 . . . . 79 LEU H . 7140 1 8 . 1 1 7 7 LEU CA C 13 54.904 0.2 . 1 . . . . 79 LEU CA . 7140 1 9 . 1 1 7 7 LEU CB C 13 42.300 0.2 . 1 . . . . 79 LEU CB . 7140 1 10 . 1 1 7 7 LEU N N 15 121.142 0.1 . 1 . . . . 79 LEU N . 7140 1 11 . 1 1 8 8 MET H H 1 7.810 0.02 . 1 . . . . 80 MET H . 7140 1 12 . 1 1 8 8 MET CA C 13 51.584 0.2 . 1 . . . . 80 MET CA . 7140 1 13 . 1 1 8 8 MET N N 15 118.326 0.1 . 1 . . . . 80 MET N . 7140 1 14 . 1 1 9 9 PRO CA C 13 64.837 0.2 . 1 . . . . 81 PRO CA . 7140 1 15 . 1 1 9 9 PRO CB C 13 32.101 0.2 . 1 . . . . 81 PRO CB . 7140 1 16 . 1 1 10 10 TRP H H 1 5.721 0.02 . 1 . . . . 82 TRP H . 7140 1 17 . 1 1 10 10 TRP CA C 13 52.915 0.2 . 1 . . . . 82 TRP CA . 7140 1 18 . 1 1 10 10 TRP CB C 13 30.498 0.2 . 1 . . . . 82 TRP CB . 7140 1 19 . 1 1 10 10 TRP N N 15 107.491 0.1 . 1 . . . . 82 TRP N . 7140 1 20 . 1 1 11 11 PHE H H 1 7.758 0.02 . 1 . . . . 83 PHE H . 7140 1 21 . 1 1 11 11 PHE CA C 13 58.023 0.2 . 1 . . . . 83 PHE CA . 7140 1 22 . 1 1 11 11 PHE CB C 13 39.134 0.2 . 1 . . . . 83 PHE CB . 7140 1 23 . 1 1 11 11 PHE N N 15 124.153 0.1 . 1 . . . . 83 PHE N . 7140 1 24 . 1 1 12 12 HIS H H 1 8.664 0.02 . 1 . . . . 84 HIS H . 7140 1 25 . 1 1 12 12 HIS CA C 13 56.740 0.2 . 1 . . . . 84 HIS CA . 7140 1 26 . 1 1 12 12 HIS CB C 13 33.356 0.2 . 1 . . . . 84 HIS CB . 7140 1 27 . 1 1 12 12 HIS N N 15 126.130 0.1 . 1 . . . . 84 HIS N . 7140 1 28 . 1 1 13 13 GLY H H 1 5.187 0.02 . 1 . . . . 85 GLY H . 7140 1 29 . 1 1 13 13 GLY CA C 13 46.667 0.2 . 1 . . . . 85 GLY CA . 7140 1 30 . 1 1 13 13 GLY N N 15 102.990 0.1 . 1 . . . . 85 GLY N . 7140 1 31 . 1 1 14 14 LYS H H 1 8.539 0.02 . 1 . . . . 86 LYS H . 7140 1 32 . 1 1 14 14 LYS CA C 13 56.170 0.2 . 1 . . . . 86 LYS CA . 7140 1 33 . 1 1 14 14 LYS CB C 13 31.139 0.2 . 1 . . . . 86 LYS CB . 7140 1 34 . 1 1 14 14 LYS N N 15 125.391 0.1 . 1 . . . . 86 LYS N . 7140 1 35 . 1 1 15 15 ILE H H 1 7.690 0.02 . 1 . . . . 87 ILE H . 7140 1 36 . 1 1 15 15 ILE CA C 13 59.671 0.2 . 1 . . . . 87 ILE CA . 7140 1 37 . 1 1 15 15 ILE CB C 13 41.489 0.2 . 1 . . . . 87 ILE CB . 7140 1 38 . 1 1 15 15 ILE N N 15 118.767 0.1 . 1 . . . . 87 ILE N . 7140 1 39 . 1 1 16 16 THR H H 1 8.843 0.02 . 1 . . . . 88 THR H . 7140 1 40 . 1 1 16 16 THR CA C 13 61.186 0.2 . 1 . . . . 88 THR CA . 7140 1 41 . 1 1 16 16 THR CB C 13 71.860 0.2 . 1 . . . . 88 THR CB . 7140 1 42 . 1 1 16 16 THR N N 15 113.540 0.1 . 1 . . . . 88 THR N . 7140 1 43 . 1 1 17 17 ARG H H 1 8.914 0.02 . 1 . . . . 89 ARG H . 7140 1 44 . 1 1 17 17 ARG CA C 13 60.337 0.2 . 1 . . . . 89 ARG CA . 7140 1 45 . 1 1 17 17 ARG CB C 13 30.146 0.2 . 1 . . . . 89 ARG CB . 7140 1 46 . 1 1 17 17 ARG N N 15 121.604 0.1 . 1 . . . . 89 ARG N . 7140 1 47 . 1 1 18 18 GLU H H 1 8.742 0.02 . 1 . . . . 90 GLU H . 7140 1 48 . 1 1 18 18 GLU CA C 13 60.452 0.2 . 1 . . . . 90 GLU CA . 7140 1 49 . 1 1 18 18 GLU CB C 13 28.998 0.2 . 1 . . . . 90 GLU CB . 7140 1 50 . 1 1 18 18 GLU N N 15 117.210 0.1 . 1 . . . . 90 GLU N . 7140 1 51 . 1 1 19 19 GLN H H 1 7.966 0.02 . 1 . . . . 91 GLN H . 7140 1 52 . 1 1 19 19 GLN CA C 13 58.874 0.2 . 1 . . . . 91 GLN CA . 7140 1 53 . 1 1 19 19 GLN CB C 13 28.889 0.2 . 1 . . . . 91 GLN CB . 7140 1 54 . 1 1 19 19 GLN N N 15 119.984 0.1 . 1 . . . . 91 GLN N . 7140 1 55 . 1 1 20 20 ALA H H 1 8.283 0.02 . 1 . . . . 92 ALA H . 7140 1 56 . 1 1 20 20 ALA CA C 13 55.357 0.2 . 1 . . . . 92 ALA CA . 7140 1 57 . 1 1 20 20 ALA CB C 13 19.441 0.2 . 1 . . . . 92 ALA CB . 7140 1 58 . 1 1 20 20 ALA N N 15 121.168 0.1 . 1 . . . . 92 ALA N . 7140 1 59 . 1 1 21 21 GLU H H 1 8.032 0.02 . 1 . . . . 93 GLU H . 7140 1 60 . 1 1 21 21 GLU CA C 13 60.629 0.2 . 1 . . . . 93 GLU CA . 7140 1 61 . 1 1 21 21 GLU CB C 13 28.485 0.2 . 1 . . . . 93 GLU CB . 7140 1 62 . 1 1 21 21 GLU N N 15 113.823 0.1 . 1 . . . . 93 GLU N . 7140 1 63 . 1 1 22 22 ARG H H 1 7.555 0.02 . 1 . . . . 94 ARG H . 7140 1 64 . 1 1 22 22 ARG CA C 13 58.449 0.2 . 1 . . . . 94 ARG CA . 7140 1 65 . 1 1 22 22 ARG CB C 13 30.056 0.2 . 1 . . . . 94 ARG CB . 7140 1 66 . 1 1 22 22 ARG N N 15 117.594 0.1 . 1 . . . . 94 ARG N . 7140 1 67 . 1 1 23 23 LEU H H 1 7.633 0.02 . 1 . . . . 95 LEU H . 7140 1 68 . 1 1 23 23 LEU CA C 13 56.832 0.2 . 1 . . . . 95 LEU CA . 7140 1 69 . 1 1 23 23 LEU CB C 13 43.078 0.2 . 1 . . . . 95 LEU CB . 7140 1 70 . 1 1 23 23 LEU N N 15 118.634 0.1 . 1 . . . . 95 LEU N . 7140 1 71 . 1 1 24 24 LEU H H 1 7.103 0.02 . 1 . . . . 96 LEU H . 7140 1 72 . 1 1 24 24 LEU CA C 13 52.696 0.2 . 1 . . . . 96 LEU CA . 7140 1 73 . 1 1 24 24 LEU CB C 13 39.775 0.2 . 1 . . . . 96 LEU CB . 7140 1 74 . 1 1 24 24 LEU N N 15 120.454 0.1 . 1 . . . . 96 LEU N . 7140 1 75 . 1 1 25 25 TYR H H 1 7.334 0.02 . 1 . . . . 97 TYR H . 7140 1 76 . 1 1 25 25 TYR CA C 13 56.171 0.2 . 1 . . . . 97 TYR CA . 7140 1 77 . 1 1 25 25 TYR CB C 13 42.152 0.2 . 1 . . . . 97 TYR CB . 7140 1 78 . 1 1 25 25 TYR N N 15 120.134 0.1 . 1 . . . . 97 TYR N . 7140 1 79 . 1 1 27 27 PRO CA C 13 63.657 0.2 . 1 . . . . 99 PRO CA . 7140 1 80 . 1 1 27 27 PRO CB C 13 31.945 0.2 . 1 . . . . 99 PRO CB . 7140 1 81 . 1 1 28 28 GLU H H 1 7.210 0.02 . 1 . . . . 100 GLU H . 7140 1 82 . 1 1 28 28 GLU CA C 13 56.002 0.2 . 1 . . . . 100 GLU CA . 7140 1 83 . 1 1 28 28 GLU CB C 13 32.219 0.2 . 1 . . . . 100 GLU CB . 7140 1 84 . 1 1 28 28 GLU N N 15 122.645 0.1 . 1 . . . . 100 GLU N . 7140 1 85 . 1 1 29 29 THR H H 1 8.715 0.02 . 1 . . . . 101 THR H . 7140 1 86 . 1 1 29 29 THR CA C 13 65.533 0.2 . 1 . . . . 101 THR CA . 7140 1 87 . 1 1 29 29 THR CB C 13 68.940 0.2 . 1 . . . . 101 THR CB . 7140 1 88 . 1 1 29 29 THR N N 15 124.095 0.1 . 1 . . . . 101 THR N . 7140 1 89 . 1 1 30 30 GLY H H 1 9.294 0.02 . 1 . . . . 102 GLY H . 7140 1 90 . 1 1 30 30 GLY CA C 13 45.743 0.2 . 1 . . . . 102 GLY CA . 7140 1 91 . 1 1 30 30 GLY N N 15 114.119 0.1 . 1 . . . . 102 GLY N . 7140 1 92 . 1 1 31 31 LEU H H 1 8.130 0.02 . 1 . . . . 103 LEU H . 7140 1 93 . 1 1 31 31 LEU CA C 13 54.881 0.2 . 1 . . . . 103 LEU CA . 7140 1 94 . 1 1 31 31 LEU CB C 13 44.608 0.2 . 1 . . . . 103 LEU CB . 7140 1 95 . 1 1 31 31 LEU N N 15 126.978 0.1 . 1 . . . . 103 LEU N . 7140 1 96 . 1 1 32 32 PHE H H 1 8.333 0.02 . 1 . . . . 104 PHE H . 7140 1 97 . 1 1 32 32 PHE CA C 13 56.060 0.2 . 1 . . . . 104 PHE CA . 7140 1 98 . 1 1 32 32 PHE N N 15 122.656 0.1 . 1 . . . . 104 PHE N . 7140 1 99 . 1 1 33 33 LEU H H 1 9.168 0.02 . 1 . . . . 105 LEU H . 7140 1 100 . 1 1 33 33 LEU CA C 13 54.724 0.2 . 1 . . . . 105 LEU CA . 7140 1 101 . 1 1 33 33 LEU CB C 13 45.054 0.2 . 1 . . . . 105 LEU CB . 7140 1 102 . 1 1 33 33 LEU N N 15 113.722 0.1 . 1 . . . . 105 LEU N . 7140 1 103 . 1 1 34 34 VAL H H 1 9.412 0.02 . 1 . . . . 106 VAL H . 7140 1 104 . 1 1 34 34 VAL CA C 13 61.471 0.2 . 1 . . . . 106 VAL CA . 7140 1 105 . 1 1 34 34 VAL CB C 13 35.252 0.2 . 1 . . . . 106 VAL CB . 7140 1 106 . 1 1 34 34 VAL N N 15 119.632 0.1 . 1 . . . . 106 VAL N . 7140 1 107 . 1 1 35 35 ARG H H 1 9.204 0.02 . 1 . . . . 107 ARG H . 7140 1 108 . 1 1 35 35 ARG CA C 13 52.583 0.2 . 1 . . . . 107 ARG CA . 7140 1 109 . 1 1 35 35 ARG CB C 13 34.736 0.2 . 1 . . . . 107 ARG CB . 7140 1 110 . 1 1 35 35 ARG N N 15 123.246 0.1 . 1 . . . . 107 ARG N . 7140 1 111 . 1 1 36 36 GLU H H 1 8.634 0.02 . 1 . . . . 108 GLU H . 7140 1 112 . 1 1 36 36 GLU CA C 13 54.685 0.2 . 1 . . . . 108 GLU CA . 7140 1 113 . 1 1 36 36 GLU CB C 13 33.260 0.2 . 1 . . . . 108 GLU CB . 7140 1 114 . 1 1 36 36 GLU N N 15 123.623 0.1 . 1 . . . . 108 GLU N . 7140 1 115 . 1 1 37 37 SER H H 1 8.200 0.02 . 1 . . . . 109 SER H . 7140 1 116 . 1 1 37 37 SER CA C 13 58.426 0.2 . 1 . . . . 109 SER CA . 7140 1 117 . 1 1 37 37 SER CB C 13 63.935 0.2 . 1 . . . . 109 SER CB . 7140 1 118 . 1 1 37 37 SER N N 15 116.926 0.1 . 1 . . . . 109 SER N . 7140 1 119 . 1 1 41 41 PRO CA C 13 63.633 0.2 . 1 . . . . 113 PRO CA . 7140 1 120 . 1 1 41 41 PRO CB C 13 31.683 0.2 . 1 . . . . 113 PRO CB . 7140 1 121 . 1 1 42 42 GLY H H 1 9.853 0.02 . 1 . . . . 114 GLY H . 7140 1 122 . 1 1 42 42 GLY CA C 13 44.890 0.2 . 1 . . . . 114 GLY CA . 7140 1 123 . 1 1 42 42 GLY N N 15 113.485 0.1 . 1 . . . . 114 GLY N . 7140 1 124 . 1 1 43 43 ASP H H 1 7.493 0.02 . 1 . . . . 115 ASP H . 7140 1 125 . 1 1 43 43 ASP CA C 13 52.960 0.2 . 1 . . . . 115 ASP CA . 7140 1 126 . 1 1 43 43 ASP CB C 13 41.536 0.2 . 1 . . . . 115 ASP CB . 7140 1 127 . 1 1 43 43 ASP N N 15 119.388 0.1 . 1 . . . . 115 ASP N . 7140 1 128 . 1 1 44 44 TYR H H 1 9.221 0.02 . 1 . . . . 116 TYR H . 7140 1 129 . 1 1 44 44 TYR CA C 13 56.683 0.2 . 1 . . . . 116 TYR CA . 7140 1 130 . 1 1 44 44 TYR CB C 13 42.186 0.2 . 1 . . . . 116 TYR CB . 7140 1 131 . 1 1 44 44 TYR N N 15 124.929 0.1 . 1 . . . . 116 TYR N . 7140 1 132 . 1 1 45 45 THR H H 1 9.178 0.02 . 1 . . . . 117 THR H . 7140 1 133 . 1 1 45 45 THR CA C 13 62.626 0.2 . 1 . . . . 117 THR CA . 7140 1 134 . 1 1 45 45 THR CB C 13 72.536 0.2 . 1 . . . . 117 THR CB . 7140 1 135 . 1 1 45 45 THR N N 15 116.414 0.1 . 1 . . . . 117 THR N . 7140 1 136 . 1 1 46 46 LEU H H 1 9.246 0.02 . 1 . . . . 118 LEU H . 7140 1 137 . 1 1 46 46 LEU CA C 13 54.122 0.2 . 1 . . . . 118 LEU CA . 7140 1 138 . 1 1 46 46 LEU CB C 13 44.316 0.2 . 1 . . . . 118 LEU CB . 7140 1 139 . 1 1 46 46 LEU N N 15 128.928 0.1 . 1 . . . . 118 LEU N . 7140 1 140 . 1 1 47 47 CYS H H 1 9.313 0.02 . 1 . . . . 119 CYS H . 7140 1 141 . 1 1 47 47 CYS CA C 13 57.064 0.2 . 1 . . . . 119 CYS CA . 7140 1 142 . 1 1 47 47 CYS N N 15 128.242 0.1 . 1 . . . . 119 CYS N . 7140 1 143 . 1 1 48 48 VAL H H 1 8.890 0.02 . 1 . . . . 120 VAL H . 7140 1 144 . 1 1 48 48 VAL CA C 13 59.354 0.2 . 1 . . . . 120 VAL CA . 7140 1 145 . 1 1 48 48 VAL CB C 13 36.068 0.2 . 1 . . . . 120 VAL CB . 7140 1 146 . 1 1 48 48 VAL N N 15 121.567 0.1 . 1 . . . . 120 VAL N . 7140 1 147 . 1 1 49 49 SER H H 1 8.933 0.02 . 1 . . . . 121 SER H . 7140 1 148 . 1 1 49 49 SER CA C 13 57.349 0.2 . 1 . . . . 121 SER CA . 7140 1 149 . 1 1 49 49 SER N N 15 121.308 0.1 . 1 . . . . 121 SER N . 7140 1 150 . 1 1 50 50 CYS H H 1 9.421 0.02 . 1 . . . . 122 CYS H . 7140 1 151 . 1 1 50 50 CYS CA C 13 60.800 0.2 . 1 . . . . 122 CYS CA . 7140 1 152 . 1 1 50 50 CYS CB C 13 29.218 0.2 . 1 . . . . 122 CYS CB . 7140 1 153 . 1 1 50 50 CYS N N 15 129.256 0.1 . 1 . . . . 122 CYS N . 7140 1 154 . 1 1 51 51 ASP H H 1 8.965 0.02 . 1 . . . . 123 ASP H . 7140 1 155 . 1 1 51 51 ASP CA C 13 55.962 0.2 . 1 . . . . 123 ASP CA . 7140 1 156 . 1 1 51 51 ASP CB C 13 39.969 0.2 . 1 . . . . 123 ASP CB . 7140 1 157 . 1 1 51 51 ASP N N 15 129.908 0.1 . 1 . . . . 123 ASP N . 7140 1 158 . 1 1 52 52 GLY H H 1 9.126 0.02 . 1 . . . . 124 GLY H . 7140 1 159 . 1 1 52 52 GLY CA C 13 45.497 0.2 . 1 . . . . 124 GLY CA . 7140 1 160 . 1 1 52 52 GLY N N 15 103.971 0.1 . 1 . . . . 124 GLY N . 7140 1 161 . 1 1 53 53 LYS H H 1 7.873 0.02 . 1 . . . . 125 LYS H . 7140 1 162 . 1 1 53 53 LYS CA C 13 54.294 0.2 . 1 . . . . 125 LYS CA . 7140 1 163 . 1 1 53 53 LYS CB C 13 35.248 0.2 . 1 . . . . 125 LYS CB . 7140 1 164 . 1 1 53 53 LYS N N 15 120.817 0.1 . 1 . . . . 125 LYS N . 7140 1 165 . 1 1 54 54 VAL H H 1 8.319 0.02 . 1 . . . . 126 VAL H . 7140 1 166 . 1 1 54 54 VAL CA C 13 62.072 0.2 . 1 . . . . 126 VAL CA . 7140 1 167 . 1 1 54 54 VAL CB C 13 33.009 0.2 . 1 . . . . 126 VAL CB . 7140 1 168 . 1 1 54 54 VAL N N 15 120.152 0.1 . 1 . . . . 126 VAL N . 7140 1 169 . 1 1 55 55 GLU H H 1 8.992 0.02 . 1 . . . . 127 GLU H . 7140 1 170 . 1 1 55 55 GLU CA C 13 54.104 0.2 . 1 . . . . 127 GLU CA . 7140 1 171 . 1 1 55 55 GLU CB C 13 31.405 0.2 . 1 . . . . 127 GLU CB . 7140 1 172 . 1 1 55 55 GLU N N 15 127.996 0.1 . 1 . . . . 127 GLU N . 7140 1 173 . 1 1 56 56 HIS H H 1 8.292 0.02 . 1 . . . . 128 HIS H . 7140 1 174 . 1 1 56 56 HIS CA C 13 55.055 0.2 . 1 . . . . 128 HIS CA . 7140 1 175 . 1 1 56 56 HIS CB C 13 33.059 0.2 . 1 . . . . 128 HIS CB . 7140 1 176 . 1 1 56 56 HIS N N 15 122.091 0.1 . 1 . . . . 128 HIS N . 7140 1 177 . 1 1 57 57 TYR H H 1 9.700 0.02 . 1 . . . . 129 TYR H . 7140 1 178 . 1 1 57 57 TYR CA C 13 57.123 0.2 . 1 . . . . 129 TYR CA . 7140 1 179 . 1 1 57 57 TYR CB C 13 39.719 0.2 . 1 . . . . 129 TYR CB . 7140 1 180 . 1 1 57 57 TYR N N 15 123.995 0.1 . 1 . . . . 129 TYR N . 7140 1 181 . 1 1 58 58 ARG H H 1 8.841 0.02 . 1 . . . . 130 ARG H . 7140 1 182 . 1 1 58 58 ARG CA C 13 57.373 0.2 . 1 . . . . 130 ARG CA . 7140 1 183 . 1 1 58 58 ARG CB C 13 30.705 0.2 . 1 . . . . 130 ARG CB . 7140 1 184 . 1 1 58 58 ARG N N 15 126.974 0.1 . 1 . . . . 130 ARG N . 7140 1 185 . 1 1 59 59 ILE H H 1 8.662 0.02 . 1 . . . . 131 ILE H . 7140 1 186 . 1 1 59 59 ILE CA C 13 61.261 0.2 . 1 . . . . 131 ILE CA . 7140 1 187 . 1 1 59 59 ILE CB C 13 37.518 0.2 . 1 . . . . 131 ILE CB . 7140 1 188 . 1 1 59 59 ILE N N 15 127.070 0.1 . 1 . . . . 131 ILE N . 7140 1 189 . 1 1 60 60 MET H H 1 9.082 0.02 . 1 . . . . 132 MET H . 7140 1 190 . 1 1 60 60 MET CA C 13 54.708 0.2 . 1 . . . . 132 MET CA . 7140 1 191 . 1 1 60 60 MET CB C 13 33.988 0.2 . 1 . . . . 132 MET CB . 7140 1 192 . 1 1 60 60 MET N N 15 128.339 0.1 . 1 . . . . 132 MET N . 7140 1 193 . 1 1 61 61 TYR H H 1 8.668 0.02 . 1 . . . . 133 TYR H . 7140 1 194 . 1 1 61 61 TYR CA C 13 56.657 0.2 . 1 . . . . 133 TYR CA . 7140 1 195 . 1 1 61 61 TYR CB C 13 40.694 0.2 . 1 . . . . 133 TYR CB . 7140 1 196 . 1 1 61 61 TYR N N 15 120.834 0.1 . 1 . . . . 133 TYR N . 7140 1 197 . 1 1 62 62 HIS H H 1 8.963 0.02 . 1 . . . . 134 HIS H . 7140 1 198 . 1 1 62 62 HIS CA C 13 56.618 0.2 . 1 . . . . 134 HIS CA . 7140 1 199 . 1 1 62 62 HIS CB C 13 31.981 0.2 . 1 . . . . 134 HIS CB . 7140 1 200 . 1 1 62 62 HIS N N 15 123.966 0.1 . 1 . . . . 134 HIS N . 7140 1 201 . 1 1 63 63 ALA CA C 13 53.446 0.2 . 1 . . . . 135 ALA CA . 7140 1 202 . 1 1 63 63 ALA CB C 13 16.506 0.2 . 1 . . . . 135 ALA CB . 7140 1 203 . 1 1 64 64 SER H H 1 8.071 0.02 . 1 . . . . 136 SER H . 7140 1 204 . 1 1 64 64 SER CA C 13 60.531 0.2 . 1 . . . . 136 SER CA . 7140 1 205 . 1 1 64 64 SER CB C 13 62.932 0.2 . 1 . . . . 136 SER CB . 7140 1 206 . 1 1 64 64 SER N N 15 108.167 0.1 . 1 . . . . 136 SER N . 7140 1 207 . 1 1 65 65 LYS H H 1 8.029 0.02 . 1 . . . . 137 LYS H . 7140 1 208 . 1 1 65 65 LYS CA C 13 55.299 0.2 . 1 . . . . 137 LYS CA . 7140 1 209 . 1 1 65 65 LYS CB C 13 36.555 0.2 . 1 . . . . 137 LYS CB . 7140 1 210 . 1 1 65 65 LYS N N 15 121.355 0.1 . 1 . . . . 137 LYS N . 7140 1 211 . 1 1 66 66 LEU H H 1 9.035 0.02 . 1 . . . . 138 LEU H . 7140 1 212 . 1 1 66 66 LEU CA C 13 54.055 0.2 . 1 . . . . 138 LEU CA . 7140 1 213 . 1 1 66 66 LEU CB C 13 45.976 0.2 . 1 . . . . 138 LEU CB . 7140 1 214 . 1 1 66 66 LEU N N 15 118.932 0.1 . 1 . . . . 138 LEU N . 7140 1 215 . 1 1 67 67 SER H H 1 8.808 0.02 . 1 . . . . 139 SER H . 7140 1 216 . 1 1 67 67 SER CA C 13 58.596 0.2 . 1 . . . . 139 SER CA . 7140 1 217 . 1 1 67 67 SER N N 15 112.296 0.1 . 1 . . . . 139 SER N . 7140 1 218 . 1 1 68 68 ILE H H 1 9.810 0.02 . 1 . . . . 140 ILE H . 7140 1 219 . 1 1 68 68 ILE CA C 13 62.867 0.2 . 1 . . . . 140 ILE CA . 7140 1 220 . 1 1 68 68 ILE CB C 13 39.781 0.2 . 1 . . . . 140 ILE CB . 7140 1 221 . 1 1 68 68 ILE N N 15 124.245 0.1 . 1 . . . . 140 ILE N . 7140 1 222 . 1 1 69 69 ASP H H 1 8.175 0.02 . 1 . . . . 141 ASP H . 7140 1 223 . 1 1 69 69 ASP CA C 13 53.459 0.2 . 1 . . . . 141 ASP CA . 7140 1 224 . 1 1 69 69 ASP CB C 13 42.099 0.2 . 1 . . . . 141 ASP CB . 7140 1 225 . 1 1 69 69 ASP N N 15 118.961 0.1 . 1 . . . . 141 ASP N . 7140 1 226 . 1 1 70 70 GLU H H 1 8.485 0.02 . 1 . . . . 142 GLU H . 7140 1 227 . 1 1 70 70 GLU CA C 13 59.027 0.2 . 1 . . . . 142 GLU CA . 7140 1 228 . 1 1 70 70 GLU CB C 13 27.834 0.2 . 1 . . . . 142 GLU CB . 7140 1 229 . 1 1 70 70 GLU N N 15 114.101 0.1 . 1 . . . . 142 GLU N . 7140 1 230 . 1 1 71 71 GLU H H 1 8.444 0.02 . 1 . . . . 143 GLU H . 7140 1 231 . 1 1 71 71 GLU CA C 13 57.514 0.2 . 1 . . . . 143 GLU CA . 7140 1 232 . 1 1 71 71 GLU CB C 13 32.003 0.2 . 1 . . . . 143 GLU CB . 7140 1 233 . 1 1 71 71 GLU N N 15 118.591 0.1 . 1 . . . . 143 GLU N . 7140 1 234 . 1 1 72 72 VAL H H 1 9.306 0.02 . 1 . . . . 144 VAL H . 7140 1 235 . 1 1 72 72 VAL CA C 13 61.489 0.2 . 1 . . . . 144 VAL CA . 7140 1 236 . 1 1 72 72 VAL CB C 13 32.821 0.2 . 1 . . . . 144 VAL CB . 7140 1 237 . 1 1 72 72 VAL N N 15 122.945 0.1 . 1 . . . . 144 VAL N . 7140 1 238 . 1 1 73 73 TYR H H 1 8.323 0.02 . 1 . . . . 145 TYR H . 7140 1 239 . 1 1 73 73 TYR CA C 13 56.295 0.2 . 1 . . . . 145 TYR CA . 7140 1 240 . 1 1 73 73 TYR N N 15 127.173 0.1 . 1 . . . . 145 TYR N . 7140 1 241 . 1 1 74 74 PHE H H 1 9.403 0.02 . 1 . . . . 146 PHE H . 7140 1 242 . 1 1 74 74 PHE CA C 13 56.413 0.2 . 1 . . . . 146 PHE CA . 7140 1 243 . 1 1 74 74 PHE CB C 13 43.985 0.2 . 1 . . . . 146 PHE CB . 7140 1 244 . 1 1 74 74 PHE N N 15 117.109 0.1 . 1 . . . . 146 PHE N . 7140 1 245 . 1 1 75 75 GLU H H 1 8.989 0.02 . 1 . . . . 147 GLU H . 7140 1 246 . 1 1 75 75 GLU CA C 13 58.260 0.2 . 1 . . . . 147 GLU CA . 7140 1 247 . 1 1 75 75 GLU CB C 13 31.113 0.2 . 1 . . . . 147 GLU CB . 7140 1 248 . 1 1 75 75 GLU N N 15 118.666 0.1 . 1 . . . . 147 GLU N . 7140 1 249 . 1 1 76 76 ASN H H 1 7.525 0.02 . 1 . . . . 148 ASN H . 7140 1 250 . 1 1 76 76 ASN CA C 13 52.266 0.2 . 1 . . . . 148 ASN CA . 7140 1 251 . 1 1 76 76 ASN CB C 13 40.451 0.2 . 1 . . . . 148 ASN CB . 7140 1 252 . 1 1 76 76 ASN N N 15 107.894 0.1 . 1 . . . . 148 ASN N . 7140 1 253 . 1 1 77 77 LEU H H 1 9.085 0.02 . 1 . . . . 149 LEU H . 7140 1 254 . 1 1 77 77 LEU CA C 13 57.335 0.2 . 1 . . . . 149 LEU CA . 7140 1 255 . 1 1 77 77 LEU CB C 13 43.702 0.2 . 1 . . . . 149 LEU CB . 7140 1 256 . 1 1 77 77 LEU N N 15 118.456 0.1 . 1 . . . . 149 LEU N . 7140 1 257 . 1 1 78 78 MET H H 1 8.266 0.02 . 1 . . . . 150 MET H . 7140 1 258 . 1 1 78 78 MET CA C 13 60.646 0.2 . 1 . . . . 150 MET CA . 7140 1 259 . 1 1 78 78 MET CB C 13 31.104 0.2 . 1 . . . . 150 MET CB . 7140 1 260 . 1 1 78 78 MET N N 15 118.655 0.1 . 1 . . . . 150 MET N . 7140 1 261 . 1 1 79 79 GLN H H 1 8.373 0.02 . 1 . . . . 151 GLN H . 7140 1 262 . 1 1 79 79 GLN CA C 13 58.464 0.2 . 1 . . . . 151 GLN CA . 7140 1 263 . 1 1 79 79 GLN CB C 13 29.728 0.2 . 1 . . . . 151 GLN CB . 7140 1 264 . 1 1 79 79 GLN N N 15 118.759 0.1 . 1 . . . . 151 GLN N . 7140 1 265 . 1 1 80 80 LEU H H 1 6.876 0.02 . 1 . . . . 152 LEU H . 7140 1 266 . 1 1 80 80 LEU CA C 13 58.861 0.2 . 1 . . . . 152 LEU CA . 7140 1 267 . 1 1 80 80 LEU N N 15 121.954 0.1 . 1 . . . . 152 LEU N . 7140 1 268 . 1 1 81 81 VAL H H 1 7.947 0.02 . 1 . . . . 153 VAL H . 7140 1 269 . 1 1 81 81 VAL CA C 13 66.983 0.2 . 1 . . . . 153 VAL CA . 7140 1 270 . 1 1 81 81 VAL CB C 13 31.468 0.2 . 1 . . . . 153 VAL CB . 7140 1 271 . 1 1 81 81 VAL N N 15 119.476 0.1 . 1 . . . . 153 VAL N . 7140 1 272 . 1 1 82 82 GLU H H 1 8.184 0.02 . 1 . . . . 154 GLU H . 7140 1 273 . 1 1 82 82 GLU CA C 13 59.925 0.2 . 1 . . . . 154 GLU CA . 7140 1 274 . 1 1 82 82 GLU CB C 13 29.505 0.2 . 1 . . . . 154 GLU CB . 7140 1 275 . 1 1 82 82 GLU N N 15 120.318 0.1 . 1 . . . . 154 GLU N . 7140 1 276 . 1 1 83 83 HIS H H 1 7.801 0.02 . 1 . . . . 155 HIS H . 7140 1 277 . 1 1 83 83 HIS CA C 13 60.600 0.2 . 1 . . . . 155 HIS CA . 7140 1 278 . 1 1 83 83 HIS N N 15 119.753 0.1 . 1 . . . . 155 HIS N . 7140 1 279 . 1 1 84 84 TYR H H 1 7.366 0.02 . 1 . . . . 156 TYR H . 7140 1 280 . 1 1 84 84 TYR CA C 13 60.375 0.2 . 1 . . . . 156 TYR CA . 7140 1 281 . 1 1 84 84 TYR CB C 13 37.705 0.2 . 1 . . . . 156 TYR CB . 7140 1 282 . 1 1 84 84 TYR N N 15 115.520 0.1 . 1 . . . . 156 TYR N . 7140 1 283 . 1 1 85 85 THR H H 1 7.542 0.02 . 1 . . . . 157 THR H . 7140 1 284 . 1 1 85 85 THR CA C 13 64.335 0.2 . 1 . . . . 157 THR CA . 7140 1 285 . 1 1 85 85 THR CB C 13 69.409 0.2 . 1 . . . . 157 THR CB . 7140 1 286 . 1 1 85 85 THR N N 15 115.088 0.1 . 1 . . . . 157 THR N . 7140 1 287 . 1 1 86 86 SER H H 1 7.181 0.02 . 1 . . . . 158 SER H . 7140 1 288 . 1 1 86 86 SER CA C 13 60.237 0.2 . 1 . . . . 158 SER CA . 7140 1 289 . 1 1 86 86 SER N N 15 116.659 0.1 . 1 . . . . 158 SER N . 7140 1 290 . 1 1 87 87 ASP H H 1 7.523 0.02 . 1 . . . . 159 ASP H . 7140 1 291 . 1 1 87 87 ASP CA C 13 53.813 0.2 . 1 . . . . 159 ASP CA . 7140 1 292 . 1 1 87 87 ASP CB C 13 44.495 0.2 . 1 . . . . 159 ASP CB . 7140 1 293 . 1 1 87 87 ASP N N 15 119.626 0.1 . 1 . . . . 159 ASP N . 7140 1 294 . 1 1 88 88 ALA H H 1 8.218 0.02 . 1 . . . . 160 ALA H . 7140 1 295 . 1 1 88 88 ALA CA C 13 54.963 0.2 . 1 . . . . 160 ALA CA . 7140 1 296 . 1 1 88 88 ALA CB C 13 18.812 0.2 . 1 . . . . 160 ALA CB . 7140 1 297 . 1 1 88 88 ALA N N 15 124.036 0.1 . 1 . . . . 160 ALA N . 7140 1 298 . 1 1 89 89 ASP H H 1 8.120 0.02 . 1 . . . . 161 ASP H . 7140 1 299 . 1 1 89 89 ASP CA C 13 54.721 0.2 . 1 . . . . 161 ASP CA . 7140 1 300 . 1 1 89 89 ASP CB C 13 40.926 0.2 . 1 . . . . 161 ASP CB . 7140 1 301 . 1 1 89 89 ASP N N 15 112.472 0.1 . 1 . . . . 161 ASP N . 7140 1 302 . 1 1 90 90 GLY H H 1 8.236 0.02 . 1 . . . . 162 GLY H . 7140 1 303 . 1 1 90 90 GLY CA C 13 45.114 0.2 . 1 . . . . 162 GLY CA . 7140 1 304 . 1 1 90 90 GLY N N 15 105.492 0.1 . 1 . . . . 162 GLY N . 7140 1 305 . 1 1 91 91 LEU H H 1 8.321 0.02 . 1 . . . . 163 LEU H . 7140 1 306 . 1 1 91 91 LEU CA C 13 54.315 0.2 . 1 . . . . 163 LEU CA . 7140 1 307 . 1 1 91 91 LEU CB C 13 42.248 0.2 . 1 . . . . 163 LEU CB . 7140 1 308 . 1 1 91 91 LEU N N 15 120.416 0.1 . 1 . . . . 163 LEU N . 7140 1 309 . 1 1 92 92 CYS H H 1 7.571 0.02 . 1 . . . . 164 CYS H . 7140 1 310 . 1 1 92 92 CYS CA C 13 58.606 0.2 . 1 . . . . 164 CYS CA . 7140 1 311 . 1 1 92 92 CYS N N 15 115.142 0.1 . 1 . . . . 164 CYS N . 7140 1 312 . 1 1 93 93 THR H H 1 7.171 0.02 . 1 . . . . 165 THR H . 7140 1 313 . 1 1 93 93 THR CA C 13 59.653 0.2 . 1 . . . . 165 THR CA . 7140 1 314 . 1 1 93 93 THR CB C 13 68.954 0.2 . 1 . . . . 165 THR CB . 7140 1 315 . 1 1 93 93 THR N N 15 114.771 0.1 . 1 . . . . 165 THR N . 7140 1 316 . 1 1 94 94 ARG H H 1 7.510 0.02 . 1 . . . . 166 ARG H . 7140 1 317 . 1 1 94 94 ARG CA C 13 56.410 0.2 . 1 . . . . 166 ARG CA . 7140 1 318 . 1 1 94 94 ARG CB C 13 30.920 0.2 . 1 . . . . 166 ARG CB . 7140 1 319 . 1 1 94 94 ARG N N 15 121.703 0.1 . 1 . . . . 166 ARG N . 7140 1 320 . 1 1 95 95 LEU H H 1 7.930 0.02 . 1 . . . . 167 LEU H . 7140 1 321 . 1 1 95 95 LEU CA C 13 54.516 0.2 . 1 . . . . 167 LEU CA . 7140 1 322 . 1 1 95 95 LEU CB C 13 38.260 0.2 . 1 . . . . 167 LEU CB . 7140 1 323 . 1 1 95 95 LEU N N 15 121.837 0.1 . 1 . . . . 167 LEU N . 7140 1 324 . 1 1 96 96 ILE H H 1 8.519 0.02 . 1 . . . . 168 ILE H . 7140 1 325 . 1 1 96 96 ILE CA C 13 62.790 0.2 . 1 . . . . 168 ILE CA . 7140 1 326 . 1 1 96 96 ILE CB C 13 39.805 0.2 . 1 . . . . 168 ILE CB . 7140 1 327 . 1 1 96 96 ILE N N 15 121.749 0.1 . 1 . . . . 168 ILE N . 7140 1 328 . 1 1 97 97 LYS H H 1 7.803 0.02 . 1 . . . . 169 LYS H . 7140 1 329 . 1 1 97 97 LYS CA C 13 52.712 0.2 . 1 . . . . 169 LYS CA . 7140 1 330 . 1 1 97 97 LYS CB C 13 35.832 0.2 . 1 . . . . 169 LYS CB . 7140 1 331 . 1 1 97 97 LYS N N 15 120.482 0.1 . 1 . . . . 169 LYS N . 7140 1 332 . 1 1 98 98 PRO CA C 13 61.435 0.2 . 1 . . . . 170 PRO CA . 7140 1 333 . 1 1 98 98 PRO CB C 13 32.550 0.2 . 1 . . . . 170 PRO CB . 7140 1 334 . 1 1 99 99 LYS H H 1 8.758 0.02 . 1 . . . . 171 LYS H . 7140 1 335 . 1 1 99 99 LYS CA C 13 53.856 0.2 . 1 . . . . 171 LYS CA . 7140 1 336 . 1 1 99 99 LYS CB C 13 30.915 0.2 . 1 . . . . 171 LYS CB . 7140 1 337 . 1 1 99 99 LYS N N 15 124.857 0.1 . 1 . . . . 171 LYS N . 7140 1 338 . 1 1 100 100 VAL H H 1 8.159 0.02 . 1 . . . . 172 VAL H . 7140 1 339 . 1 1 100 100 VAL CA C 13 62.416 0.2 . 1 . . . . 172 VAL CA . 7140 1 340 . 1 1 100 100 VAL CB C 13 32.564 0.2 . 1 . . . . 172 VAL CB . 7140 1 341 . 1 1 100 100 VAL N N 15 126.831 0.1 . 1 . . . . 172 VAL N . 7140 1 342 . 1 1 101 101 MET H H 1 8.389 0.02 . 1 . . . . 173 MET H . 7140 1 343 . 1 1 101 101 MET CA C 13 56.378 0.2 . 1 . . . . 173 MET CA . 7140 1 344 . 1 1 101 101 MET CB C 13 32.183 0.2 . 1 . . . . 173 MET CB . 7140 1 345 . 1 1 101 101 MET N N 15 125.689 0.1 . 1 . . . . 173 MET N . 7140 1 346 . 1 1 102 102 GLU H H 1 8.542 0.02 . 1 . . . . 174 GLU H . 7140 1 347 . 1 1 102 102 GLU CA C 13 56.461 0.2 . 1 . . . . 174 GLU CA . 7140 1 348 . 1 1 102 102 GLU CB C 13 30.638 0.2 . 1 . . . . 174 GLU CB . 7140 1 349 . 1 1 102 102 GLU N N 15 125.400 0.1 . 1 . . . . 174 GLU N . 7140 1 350 . 1 1 103 103 GLY H H 1 8.387 0.02 . 1 . . . . 175 GLY H . 7140 1 351 . 1 1 103 103 GLY CA C 13 45.030 0.2 . 1 . . . . 175 GLY CA . 7140 1 352 . 1 1 103 103 GLY N N 15 110.603 0.1 . 1 . . . . 175 GLY N . 7140 1 353 . 1 1 104 104 THR H H 1 8.043 0.02 . 1 . . . . 176 THR H . 7140 1 354 . 1 1 104 104 THR CA C 13 62.019 0.2 . 1 . . . . 176 THR CA . 7140 1 355 . 1 1 104 104 THR CB C 13 70.299 0.2 . 1 . . . . 176 THR CB . 7140 1 356 . 1 1 104 104 THR N N 15 114.439 0.1 . 1 . . . . 176 THR N . 7140 1 357 . 1 1 105 105 VAL H H 1 8.242 0.02 . 1 . . . . 177 VAL H . 7140 1 358 . 1 1 105 105 VAL CA C 13 62.337 0.2 . 1 . . . . 177 VAL CA . 7140 1 359 . 1 1 105 105 VAL CB C 13 32.922 0.2 . 1 . . . . 177 VAL CB . 7140 1 360 . 1 1 105 105 VAL N N 15 123.338 0.1 . 1 . . . . 177 VAL N . 7140 1 361 . 1 1 106 106 ALA H H 1 7.999 0.02 . 1 . . . . 178 ALA H . 7140 1 362 . 1 1 106 106 ALA CA C 13 53.815 0.2 . 1 . . . . 178 ALA CA . 7140 1 363 . 1 1 106 106 ALA N N 15 133.822 0.1 . 1 . . . . 178 ALA N . 7140 1 stop_ save_