data_19949 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19949 _Entry.Title ; The proline-rich region of 18.5-kDa myelin basic protein requires long-range interactions with residues upstream to interact with the SH3-domain of Fyn ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-04-30 _Entry.Accession_date 2014-04-30 _Entry.Last_release_date 2014-04-30 _Entry.Original_release_date 2014-04-30 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Miguel 'De Avila' . . . . 19949 2 Kenrick Vassall . . . . 19949 3 Graham Smith . . . . 19949 4 Vladimir Bamm . . . . 19949 5 George Harauz . . . . 19949 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19949 heteronucl_T1_relaxation 1 19949 heteronucl_T2_relaxation 1 19949 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 164 19949 '15N chemical shifts' 62 19949 '1H chemical shifts' 63 19949 'T1 relaxation values' 56 19949 'T2 relaxation values' 56 19949 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 . . 2019-07-11 . original BMRB . 19949 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15131 '18.5 kDa isoform of murine myelin basic protein' 19949 BMRB 18520 'S72-S107 peptide of 18.5kDa murine myelin basic protein (MBP) in association with dodecylphosphocholine micelles' 19949 BMRB 19186 'S72-S107 peptide of 18.5kDa murine myelin basic protein (MBP)' 19949 BMRB 19948 'MBP S38-S107 peptide of 18.5 kDa' 19949 BMRB 6100 '18.5kDa isoform of murine myelin basic protein (MBP)' 19949 BMRB 6857 'FF2 immunodominant peptide' 19949 PDB 2LUG . 19949 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19949 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25343306 _Citation.Full_citation . _Citation.Title ; The proline-rich region of 18.5 kDa myelin basic protein binds to the SH3-domain of Fyn tyrosine kinase with the aid of an upstream segment to form a dynamic complex in vitro ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biosci. Rep.' _Citation.Journal_name_full 'Bioscience reports' _Citation.Journal_volume 34 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1573-4935 _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 e00157 _Citation.Page_last e00157 _Citation.Year 2014 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Miguel 'De Avila' . . . . 19949 1 2 Kenrick Vassall . A. . . 19949 1 3 Graham Smith . . . . 19949 1 4 Vladimir Bamm . V. . . 19949 1 5 George Harauz . . . . 19949 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19949 _Assembly.ID 1 _Assembly.Name 'MBP S38-S107 peptide in the presence of Fyn-SH3' _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 . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'MBP peptide' 1 $MBP_S38-S107_peptide A . yes native no no . . . 19949 1 2 'Fyn peptide' 2 $Fyn_SH3_domain B . no native no no . . . 19949 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MBP_S38-S107_peptide _Entity.Sf_category entity _Entity.Sf_framecode MBP_S38-S107_peptide _Entity.Entry_ID 19949 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MBP_S38-S107_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 ; SIGRFFSGDRGAPKRGSGKD SHTRTTHYGSLPQKSQHGRT QDENPVVHFFKNIVTPRTPP PSQGKGRGLS ; _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 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 19949 1 2 . ILE . 19949 1 3 . GLY . 19949 1 4 . ARG . 19949 1 5 . PHE . 19949 1 6 . PHE . 19949 1 7 . SER . 19949 1 8 . GLY . 19949 1 9 . ASP . 19949 1 10 . ARG . 19949 1 11 . GLY . 19949 1 12 . ALA . 19949 1 13 . PRO . 19949 1 14 . LYS . 19949 1 15 . ARG . 19949 1 16 . GLY . 19949 1 17 . SER . 19949 1 18 . GLY . 19949 1 19 . LYS . 19949 1 20 . ASP . 19949 1 21 . SER . 19949 1 22 . HIS . 19949 1 23 . THR . 19949 1 24 . ARG . 19949 1 25 . THR . 19949 1 26 . THR . 19949 1 27 . HIS . 19949 1 28 . TYR . 19949 1 29 . GLY . 19949 1 30 . SER . 19949 1 31 . LEU . 19949 1 32 . PRO . 19949 1 33 . GLN . 19949 1 34 . LYS . 19949 1 35 . SER . 19949 1 36 . GLN . 19949 1 37 . HIS . 19949 1 38 . GLY . 19949 1 39 . ARG . 19949 1 40 . THR . 19949 1 41 . GLN . 19949 1 42 . ASP . 19949 1 43 . GLU . 19949 1 44 . ASN . 19949 1 45 . PRO . 19949 1 46 . VAL . 19949 1 47 . VAL . 19949 1 48 . HIS . 19949 1 49 . PHE . 19949 1 50 . PHE . 19949 1 51 . LYS . 19949 1 52 . ASN . 19949 1 53 . ILE . 19949 1 54 . VAL . 19949 1 55 . THR . 19949 1 56 . PRO . 19949 1 57 . ARG . 19949 1 58 . THR . 19949 1 59 . PRO . 19949 1 60 . PRO . 19949 1 61 . PRO . 19949 1 62 . SER . 19949 1 63 . GLN . 19949 1 64 . GLY . 19949 1 65 . LYS . 19949 1 66 . GLY . 19949 1 67 . ARG . 19949 1 68 . GLY . 19949 1 69 . LEU . 19949 1 70 . SER . 19949 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 19949 1 . ILE 2 2 19949 1 . GLY 3 3 19949 1 . ARG 4 4 19949 1 . PHE 5 5 19949 1 . PHE 6 6 19949 1 . SER 7 7 19949 1 . GLY 8 8 19949 1 . ASP 9 9 19949 1 . ARG 10 10 19949 1 . GLY 11 11 19949 1 . ALA 12 12 19949 1 . PRO 13 13 19949 1 . LYS 14 14 19949 1 . ARG 15 15 19949 1 . GLY 16 16 19949 1 . SER 17 17 19949 1 . GLY 18 18 19949 1 . LYS 19 19 19949 1 . ASP 20 20 19949 1 . SER 21 21 19949 1 . HIS 22 22 19949 1 . THR 23 23 19949 1 . ARG 24 24 19949 1 . THR 25 25 19949 1 . THR 26 26 19949 1 . HIS 27 27 19949 1 . TYR 28 28 19949 1 . GLY 29 29 19949 1 . SER 30 30 19949 1 . LEU 31 31 19949 1 . PRO 32 32 19949 1 . GLN 33 33 19949 1 . LYS 34 34 19949 1 . SER 35 35 19949 1 . GLN 36 36 19949 1 . HIS 37 37 19949 1 . GLY 38 38 19949 1 . ARG 39 39 19949 1 . THR 40 40 19949 1 . GLN 41 41 19949 1 . ASP 42 42 19949 1 . GLU 43 43 19949 1 . ASN 44 44 19949 1 . PRO 45 45 19949 1 . VAL 46 46 19949 1 . VAL 47 47 19949 1 . HIS 48 48 19949 1 . PHE 49 49 19949 1 . PHE 50 50 19949 1 . LYS 51 51 19949 1 . ASN 52 52 19949 1 . ILE 53 53 19949 1 . VAL 54 54 19949 1 . THR 55 55 19949 1 . PRO 56 56 19949 1 . ARG 57 57 19949 1 . THR 58 58 19949 1 . PRO 59 59 19949 1 . PRO 60 60 19949 1 . PRO 61 61 19949 1 . SER 62 62 19949 1 . GLN 63 63 19949 1 . GLY 64 64 19949 1 . LYS 65 65 19949 1 . GLY 66 66 19949 1 . ARG 67 67 19949 1 . GLY 68 68 19949 1 . LEU 69 69 19949 1 . SER 70 70 19949 1 stop_ save_ save_Fyn_SH3_domain _Entity.Sf_category entity _Entity.Sf_framecode Fyn_SH3_domain _Entity.Entry_ID 19949 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Fyn_SH3_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 ; MVQISVTLFVALYDYEARTE DDLSFHKGEKFQILNSSEGD WWEARSLTTGETGYIPSNYV APVDRLDYKDDDDKHHHHHH ; _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 80 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . MET . 19949 2 2 . VAL . 19949 2 3 . GLN . 19949 2 4 . ILE . 19949 2 5 . SER . 19949 2 6 . VAL . 19949 2 7 . THR . 19949 2 8 . LEU . 19949 2 9 . PHE . 19949 2 10 . VAL . 19949 2 11 . ALA . 19949 2 12 . LEU . 19949 2 13 . TYR . 19949 2 14 . ASP . 19949 2 15 . TYR . 19949 2 16 . GLU . 19949 2 17 . ALA . 19949 2 18 . ARG . 19949 2 19 . THR . 19949 2 20 . GLU . 19949 2 21 . ASP . 19949 2 22 . ASP . 19949 2 23 . LEU . 19949 2 24 . SER . 19949 2 25 . PHE . 19949 2 26 . HIS . 19949 2 27 . LYS . 19949 2 28 . GLY . 19949 2 29 . GLU . 19949 2 30 . LYS . 19949 2 31 . PHE . 19949 2 32 . GLN . 19949 2 33 . ILE . 19949 2 34 . LEU . 19949 2 35 . ASN . 19949 2 36 . SER . 19949 2 37 . SER . 19949 2 38 . GLU . 19949 2 39 . GLY . 19949 2 40 . ASP . 19949 2 41 . TRP . 19949 2 42 . TRP . 19949 2 43 . GLU . 19949 2 44 . ALA . 19949 2 45 . ARG . 19949 2 46 . SER . 19949 2 47 . LEU . 19949 2 48 . THR . 19949 2 49 . THR . 19949 2 50 . GLY . 19949 2 51 . GLU . 19949 2 52 . THR . 19949 2 53 . GLY . 19949 2 54 . TYR . 19949 2 55 . ILE . 19949 2 56 . PRO . 19949 2 57 . SER . 19949 2 58 . ASN . 19949 2 59 . TYR . 19949 2 60 . VAL . 19949 2 61 . ALA . 19949 2 62 . PRO . 19949 2 63 . VAL . 19949 2 64 . ASP . 19949 2 65 . ARG . 19949 2 66 . LEU . 19949 2 67 . ASP . 19949 2 68 . TYR . 19949 2 69 . LYS . 19949 2 70 . ASP . 19949 2 71 . ASP . 19949 2 72 . ASP . 19949 2 73 . ASP . 19949 2 74 . LYS . 19949 2 75 . HIS . 19949 2 76 . HIS . 19949 2 77 . HIS . 19949 2 78 . HIS . 19949 2 79 . HIS . 19949 2 80 . HIS . 19949 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 . MET 1 1 19949 2 . VAL 2 2 19949 2 . GLN 3 3 19949 2 . ILE 4 4 19949 2 . SER 5 5 19949 2 . VAL 6 6 19949 2 . THR 7 7 19949 2 . LEU 8 8 19949 2 . PHE 9 9 19949 2 . VAL 10 10 19949 2 . ALA 11 11 19949 2 . LEU 12 12 19949 2 . TYR 13 13 19949 2 . ASP 14 14 19949 2 . TYR 15 15 19949 2 . GLU 16 16 19949 2 . ALA 17 17 19949 2 . ARG 18 18 19949 2 . THR 19 19 19949 2 . GLU 20 20 19949 2 . ASP 21 21 19949 2 . ASP 22 22 19949 2 . LEU 23 23 19949 2 . SER 24 24 19949 2 . PHE 25 25 19949 2 . HIS 26 26 19949 2 . LYS 27 27 19949 2 . GLY 28 28 19949 2 . GLU 29 29 19949 2 . LYS 30 30 19949 2 . PHE 31 31 19949 2 . GLN 32 32 19949 2 . ILE 33 33 19949 2 . LEU 34 34 19949 2 . ASN 35 35 19949 2 . SER 36 36 19949 2 . SER 37 37 19949 2 . GLU 38 38 19949 2 . GLY 39 39 19949 2 . ASP 40 40 19949 2 . TRP 41 41 19949 2 . TRP 42 42 19949 2 . GLU 43 43 19949 2 . ALA 44 44 19949 2 . ARG 45 45 19949 2 . SER 46 46 19949 2 . LEU 47 47 19949 2 . THR 48 48 19949 2 . THR 49 49 19949 2 . GLY 50 50 19949 2 . GLU 51 51 19949 2 . THR 52 52 19949 2 . GLY 53 53 19949 2 . TYR 54 54 19949 2 . ILE 55 55 19949 2 . PRO 56 56 19949 2 . SER 57 57 19949 2 . ASN 58 58 19949 2 . TYR 59 59 19949 2 . VAL 60 60 19949 2 . ALA 61 61 19949 2 . PRO 62 62 19949 2 . VAL 63 63 19949 2 . ASP 64 64 19949 2 . ARG 65 65 19949 2 . LEU 66 66 19949 2 . ASP 67 67 19949 2 . TYR 68 68 19949 2 . LYS 69 69 19949 2 . ASP 70 70 19949 2 . ASP 71 71 19949 2 . ASP 72 72 19949 2 . ASP 73 73 19949 2 . LYS 74 74 19949 2 . HIS 75 75 19949 2 . HIS 76 76 19949 2 . HIS 77 77 19949 2 . HIS 78 78 19949 2 . HIS 79 79 19949 2 . HIS 80 80 19949 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 19949 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $MBP_S38-S107_peptide . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 19949 1 2 2 $Fyn_SH3_domain . 9031 organism . 'Gallus gallus' chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . 19949 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 19949 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $MBP_S38-S107_peptide . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'pET-SUMO vector' . . . 19949 1 2 2 $Fyn_SH3_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pAD100 . . . 19949 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_MBP+Fyn_sample _Sample.Sf_category sample _Sample.Sf_framecode MBP+Fyn_sample _Sample.Entry_ID 19949 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'MBP S38-S107 peptide' '[U-100% 13C; U-100% 15N]' . . 1 $MBP_S38-S107_peptide . . 675 . . mM . . . . 19949 1 2 'Fyn SH3 domain' 'natural abundance' . . 2 $Fyn_SH3_domain . . 675 . . mM . . . . 19949 1 3 D2O [U-2H] . . . . . . 10 . . % . . . . 19949 1 4 HEPES-NaOH 'natural abundance' . . . . . . 20 . . mM . . . . 19949 1 5 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 19949 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19949 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 19949 _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' 0.1 . M 19949 1 pH 7.4 . pH 19949 1 pressure 1 . atm 19949 1 temperature 295 . K 19949 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19949 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19949 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19949 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19949 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19949 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19949 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19949 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19949 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19949 3 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19949 _Software.ID 4 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19949 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19949 4 'peak picking' 19949 4 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 19949 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19949 _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 . 600 . . . 19949 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 19949 _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 $MBP+Fyn_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19949 1 2 '3D HNCO' no . . . . . . . . . . 1 $MBP+Fyn_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19949 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $MBP+Fyn_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19949 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $MBP+Fyn_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19949 1 5 '3D HNCACB' no . . . . . . . . . . 1 $MBP+Fyn_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19949 1 6 '3D HACAN' no . . . . . . . . . . 1 $MBP+Fyn_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19949 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 19949 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 19949 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 19949 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 19949 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_EPPH+Fyn_Assignments _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode EPPH+Fyn_Assignments _Assigned_chem_shift_list.Entry_ID 19949 _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' 1 $MBP+Fyn_sample . 19949 1 2 '3D HNCO' 1 $MBP+Fyn_sample . 19949 1 3 '3D HN(CA)CO' 1 $MBP+Fyn_sample . 19949 1 4 '3D CBCA(CO)NH' 1 $MBP+Fyn_sample . 19949 1 5 '3D HNCACB' 1 $MBP+Fyn_sample . 19949 1 6 '3D HACAN' 1 $MBP+Fyn_sample . 19949 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.Ambiguity_set_ID _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 3 3 GLY H H 1 8.48 0.02 . 1 . . . . . 3 GLY H . 19949 1 2 . 1 1 3 3 GLY C C 13 174.8 0.3 . 1 . . . . . 3 GLY C . 19949 1 3 . 1 1 3 3 GLY CA C 13 45.2 0.3 . 1 . . . . . 3 GLY CA . 19949 1 4 . 1 1 3 3 GLY N N 15 112.7 0.3 . 1 . . . . . 3 GLY N . 19949 1 5 . 1 1 4 4 ARG H H 1 8.12 0.02 . 1 . . . . . 4 ARG H . 19949 1 6 . 1 1 4 4 ARG C C 13 176.9 0.3 . 1 . . . . . 4 ARG C . 19949 1 7 . 1 1 4 4 ARG CA C 13 56.1 0.3 . 1 . . . . . 4 ARG CA . 19949 1 8 . 1 1 4 4 ARG CB C 13 30.8 0.3 . 1 . . . . . 4 ARG CB . 19949 1 9 . 1 1 4 4 ARG N N 15 120.7 0.3 . 1 . . . . . 4 ARG N . 19949 1 10 . 1 1 5 5 PHE H H 1 8.26 0.02 . 1 . . . . . 5 PHE H . 19949 1 11 . 1 1 5 5 PHE C C 13 176.3 0.3 . 1 . . . . . 5 PHE C . 19949 1 12 . 1 1 5 5 PHE CA C 13 57.6 0.3 . 1 . . . . . 5 PHE CA . 19949 1 13 . 1 1 5 5 PHE CB C 13 39.7 0.3 . 1 . . . . . 5 PHE CB . 19949 1 14 . 1 1 5 5 PHE N N 15 120.8 0.3 . 1 . . . . . 5 PHE N . 19949 1 15 . 1 1 6 6 PHE H H 1 8.26 0.02 . 1 . . . . . 6 PHE H . 19949 1 16 . 1 1 6 6 PHE C C 13 176.4 0.3 . 1 . . . . . 6 PHE C . 19949 1 17 . 1 1 6 6 PHE CA C 13 57.7 0.3 . 1 . . . . . 6 PHE CA . 19949 1 18 . 1 1 6 6 PHE CB C 13 39.8 0.3 . 1 . . . . . 6 PHE CB . 19949 1 19 . 1 1 6 6 PHE N N 15 122.3 0.3 . 1 . . . . . 6 PHE N . 19949 1 20 . 1 1 7 7 SER H H 1 8.30 0.02 . 1 . . . . . 7 SER H . 19949 1 21 . 1 1 7 7 SER C C 13 176.4 0.3 . 1 . . . . . 7 SER C . 19949 1 22 . 1 1 7 7 SER CA C 13 58.2 0.3 . 1 . . . . . 7 SER CA . 19949 1 23 . 1 1 7 7 SER CB C 13 63.9 0.3 . 1 . . . . . 7 SER CB . 19949 1 24 . 1 1 7 7 SER N N 15 118.2 0.3 . 1 . . . . . 7 SER N . 19949 1 25 . 1 1 8 8 GLY H H 1 7.84 0.02 . 1 . . . . . 8 GLY H . 19949 1 26 . 1 1 8 8 GLY C C 13 174.8 0.3 . 1 . . . . . 8 GLY C . 19949 1 27 . 1 1 8 8 GLY CA C 13 45.4 0.3 . 1 . . . . . 8 GLY CA . 19949 1 28 . 1 1 8 8 GLY N N 15 110.2 0.3 . 1 . . . . . 8 GLY N . 19949 1 29 . 1 1 9 9 ASP H H 1 8.24 0.02 . 1 . . . . . 9 ASP H . 19949 1 30 . 1 1 9 9 ASP C C 13 177.7 0.3 . 1 . . . . . 9 ASP C . 19949 1 31 . 1 1 9 9 ASP CA C 13 54.4 0.3 . 1 . . . . . 9 ASP CA . 19949 1 32 . 1 1 9 9 ASP CB C 13 41.3 0.3 . 1 . . . . . 9 ASP CB . 19949 1 33 . 1 1 9 9 ASP N N 15 120.5 0.3 . 1 . . . . . 9 ASP N . 19949 1 34 . 1 1 10 10 ARG H H 1 8.41 0.02 . 1 . . . . . 10 ARG H . 19949 1 35 . 1 1 10 10 ARG C C 13 177.8 0.3 . 1 . . . . . 10 ARG C . 19949 1 36 . 1 1 10 10 ARG CA C 13 56.3 0.3 . 1 . . . . . 10 ARG CA . 19949 1 37 . 1 1 10 10 ARG CB C 13 30.3 0.3 . 1 . . . . . 10 ARG CB . 19949 1 38 . 1 1 10 10 ARG N N 15 121.6 0.3 . 1 . . . . . 10 ARG N . 19949 1 39 . 1 1 11 11 GLY H H 1 8.43 0.02 . 1 . . . . . 11 GLY H . 19949 1 40 . 1 1 11 11 GLY C C 13 174.5 0.3 . 1 . . . . . 11 GLY C . 19949 1 41 . 1 1 11 11 GLY CA C 13 45.2 0.3 . 1 . . . . . 11 GLY CA . 19949 1 42 . 1 1 11 11 GLY N N 15 109.4 0.3 . 1 . . . . . 11 GLY N . 19949 1 43 . 1 1 12 12 ALA H H 1 8.04 0.02 . 1 . . . . . 12 ALA H . 19949 1 44 . 1 1 12 12 ALA C C 13 176.5 0.3 . 1 . . . . . 12 ALA C . 19949 1 45 . 1 1 12 12 ALA CA C 13 50.5 0.3 . 1 . . . . . 12 ALA CA . 19949 1 46 . 1 1 12 12 ALA CB C 13 18.2 0.3 . 1 . . . . . 12 ALA CB . 19949 1 47 . 1 1 12 12 ALA N N 15 124.6 0.3 . 1 . . . . . 12 ALA N . 19949 1 48 . 1 1 13 13 PRO HA H 1 4.43 0.02 . 1 . . . . . 13 PRO HA . 19949 1 49 . 1 1 13 13 PRO CA C 13 63.1 0.3 . 1 . . . . . 13 PRO CA . 19949 1 50 . 1 1 13 13 PRO N N 15 135.7 0.3 . 1 . . . . . 13 PRO N . 19949 1 51 . 1 1 14 14 LYS H H 1 8.48 0.02 . 1 . . . . . 14 LYS H . 19949 1 52 . 1 1 14 14 LYS C C 13 174.2 0.3 . 1 . . . . . 14 LYS C . 19949 1 53 . 1 1 14 14 LYS CA C 13 56.1 0.3 . 1 . . . . . 14 LYS CA . 19949 1 54 . 1 1 14 14 LYS CB C 13 29.8 0.3 . 1 . . . . . 14 LYS CB . 19949 1 55 . 1 1 14 14 LYS N N 15 120.6 0.3 . 1 . . . . . 14 LYS N . 19949 1 56 . 1 1 15 15 ARG H H 1 8.47 0.02 . 1 . . . . . 15 ARG H . 19949 1 57 . 1 1 15 15 ARG C C 13 177.8 0.3 . 1 . . . . . 15 ARG C . 19949 1 58 . 1 1 15 15 ARG CA C 13 56.2 0.3 . 1 . . . . . 15 ARG CA . 19949 1 59 . 1 1 15 15 ARG CB C 13 30.8 0.3 . 1 . . . . . 15 ARG CB . 19949 1 60 . 1 1 15 15 ARG N N 15 122.8 0.3 . 1 . . . . . 15 ARG N . 19949 1 61 . 1 1 16 16 GLY H H 1 8.56 0.02 . 1 . . . . . 16 GLY H . 19949 1 62 . 1 1 16 16 GLY C C 13 175.2 0.3 . 1 . . . . . 16 GLY C . 19949 1 63 . 1 1 16 16 GLY CA C 13 45.3 0.3 . 1 . . . . . 16 GLY CA . 19949 1 64 . 1 1 16 16 GLY N N 15 110.6 0.3 . 1 . . . . . 16 GLY N . 19949 1 65 . 1 1 17 17 SER H H 1 8.36 0.02 . 1 . . . . . 17 SER H . 19949 1 66 . 1 1 17 17 SER C C 13 175.9 0.3 . 1 . . . . . 17 SER C . 19949 1 67 . 1 1 17 17 SER CA C 13 58.5 0.3 . 1 . . . . . 17 SER CA . 19949 1 68 . 1 1 17 17 SER CB C 13 64.0 0.3 . 1 . . . . . 17 SER CB . 19949 1 69 . 1 1 17 17 SER N N 15 115.5 0.3 . 1 . . . . . 17 SER N . 19949 1 70 . 1 1 18 18 GLY H H 1 8.59 0.02 . 1 . . . . . 18 GLY H . 19949 1 71 . 1 1 18 18 GLY C C 13 175.5 0.3 . 1 . . . . . 18 GLY C . 19949 1 72 . 1 1 18 18 GLY CA C 13 45.4 0.3 . 1 . . . . . 18 GLY CA . 19949 1 73 . 1 1 18 18 GLY N N 15 110.9 0.3 . 1 . . . . . 18 GLY N . 19949 1 74 . 1 1 19 19 LYS H H 1 8.27 0.02 . 1 . . . . . 19 LYS H . 19949 1 75 . 1 1 19 19 LYS C C 13 177.5 0.3 . 1 . . . . . 19 LYS C . 19949 1 76 . 1 1 19 19 LYS CA C 13 57.4 0.3 . 1 . . . . . 19 LYS CA . 19949 1 77 . 1 1 19 19 LYS CB C 13 30.6 0.3 . 1 . . . . . 19 LYS CB . 19949 1 78 . 1 1 19 19 LYS N N 15 120.9 0.3 . 1 . . . . . 19 LYS N . 19949 1 79 . 1 1 20 20 ASP H H 1 8.40 0.02 . 1 . . . . . 20 ASP H . 19949 1 80 . 1 1 20 20 ASP C C 13 177.5 0.3 . 1 . . . . . 20 ASP C . 19949 1 81 . 1 1 20 20 ASP CA C 13 54.3 0.3 . 1 . . . . . 20 ASP CA . 19949 1 82 . 1 1 20 20 ASP CB C 13 41.2 0.3 . 1 . . . . . 20 ASP CB . 19949 1 83 . 1 1 20 20 ASP N N 15 120.9 0.3 . 1 . . . . . 20 ASP N . 19949 1 84 . 1 1 21 21 SER H H 1 8.23 0.02 . 1 . . . . . 21 SER H . 19949 1 85 . 1 1 21 21 SER C C 13 175.9 0.3 . 1 . . . . . 21 SER C . 19949 1 86 . 1 1 21 21 SER CA C 13 58.9 0.3 . 1 . . . . . 21 SER CA . 19949 1 87 . 1 1 21 21 SER CB C 13 63.7 0.3 . 1 . . . . . 21 SER CB . 19949 1 88 . 1 1 21 21 SER N N 15 116.0 0.3 . 1 . . . . . 21 SER N . 19949 1 89 . 1 1 23 23 THR H H 1 8.09 0.02 . 1 . . . . . 23 THR H . 19949 1 90 . 1 1 23 23 THR C C 13 175.6 0.3 . 1 . . . . . 23 THR C . 19949 1 91 . 1 1 23 23 THR CA C 13 62.4 0.3 . 1 . . . . . 23 THR CA . 19949 1 92 . 1 1 23 23 THR CB C 13 69.7 0.3 . 1 . . . . . 23 THR CB . 19949 1 93 . 1 1 23 23 THR N N 15 115.1 0.3 . 1 . . . . . 23 THR N . 19949 1 94 . 1 1 24 24 ARG H H 1 8.44 0.02 . 1 . . . . . 24 ARG H . 19949 1 95 . 1 1 24 24 ARG C C 13 177.5 0.3 . 1 . . . . . 24 ARG C . 19949 1 96 . 1 1 24 24 ARG CA C 13 56.3 0.3 . 1 . . . . . 24 ARG CA . 19949 1 97 . 1 1 24 24 ARG CB C 13 30.7 0.3 . 1 . . . . . 24 ARG CB . 19949 1 98 . 1 1 24 24 ARG N N 15 123.7 0.3 . 1 . . . . . 24 ARG N . 19949 1 99 . 1 1 25 25 THR H H 1 8.27 0.02 . 1 . . . . . 25 THR H . 19949 1 100 . 1 1 25 25 THR C C 13 175.7 0.3 . 1 . . . . . 25 THR C . 19949 1 101 . 1 1 25 25 THR CA C 13 61.9 0.3 . 1 . . . . . 25 THR CA . 19949 1 102 . 1 1 25 25 THR CB C 13 69.8 0.3 . 1 . . . . . 25 THR CB . 19949 1 103 . 1 1 25 25 THR N N 15 115.6 0.3 . 1 . . . . . 25 THR N . 19949 1 104 . 1 1 26 26 THR H H 1 8.13 0.02 . 1 . . . . . 26 THR H . 19949 1 105 . 1 1 26 26 THR C C 13 175.1 0.3 . 1 . . . . . 26 THR C . 19949 1 106 . 1 1 26 26 THR CA C 13 61.8 0.3 . 1 . . . . . 26 THR CA . 19949 1 107 . 1 1 26 26 THR CB C 13 69.9 0.3 . 1 . . . . . 26 THR CB . 19949 1 108 . 1 1 26 26 THR N N 15 116.3 0.3 . 1 . . . . . 26 THR N . 19949 1 109 . 1 1 28 28 TYR H H 1 8.20 0.02 . 1 . . . . . 28 TYR H . 19949 1 110 . 1 1 28 28 TYR C C 13 177.4 0.3 . 1 . . . . . 28 TYR C . 19949 1 111 . 1 1 28 28 TYR CA C 13 58.0 0.3 . 1 . . . . . 28 TYR CA . 19949 1 112 . 1 1 28 28 TYR CB C 13 39.3 0.3 . 1 . . . . . 28 TYR CB . 19949 1 113 . 1 1 28 28 TYR N N 15 121.9 0.3 . 1 . . . . . 28 TYR N . 19949 1 114 . 1 1 29 29 GLY H H 1 8.33 0.02 . 1 . . . . . 29 GLY H . 19949 1 115 . 1 1 29 29 GLY C C 13 175.0 0.3 . 1 . . . . . 29 GLY C . 19949 1 116 . 1 1 29 29 GLY CA C 13 45.3 0.3 . 1 . . . . . 29 GLY CA . 19949 1 117 . 1 1 29 29 GLY N N 15 110.4 0.3 . 1 . . . . . 29 GLY N . 19949 1 118 . 1 1 30 30 SER H H 1 8.16 0.02 . 1 . . . . . 30 SER H . 19949 1 119 . 1 1 30 30 SER C C 13 175.2 0.3 . 1 . . . . . 30 SER C . 19949 1 120 . 1 1 30 30 SER CA C 13 58.3 0.3 . 1 . . . . . 30 SER CA . 19949 1 121 . 1 1 30 30 SER CB C 13 63.9 0.3 . 1 . . . . . 30 SER CB . 19949 1 122 . 1 1 30 30 SER N N 15 115.5 0.3 . 1 . . . . . 30 SER N . 19949 1 123 . 1 1 31 31 LEU H H 1 8.30 0.02 . 1 . . . . . 31 LEU H . 19949 1 124 . 1 1 31 31 LEU C C 13 176.4 0.3 . 1 . . . . . 31 LEU C . 19949 1 125 . 1 1 31 31 LEU CA C 13 53.3 0.3 . 1 . . . . . 31 LEU CA . 19949 1 126 . 1 1 31 31 LEU CB C 13 41.7 0.3 . 1 . . . . . 31 LEU CB . 19949 1 127 . 1 1 31 31 LEU N N 15 124.8 0.3 . 1 . . . . . 31 LEU N . 19949 1 128 . 1 1 34 34 LYS H H 1 8.44 0.02 . 1 . . . . . 34 LYS H . 19949 1 129 . 1 1 34 34 LYS C C 13 177.9 0.3 . 1 . . . . . 34 LYS C . 19949 1 130 . 1 1 34 34 LYS CA C 13 56.2 0.3 . 1 . . . . . 34 LYS CA . 19949 1 131 . 1 1 34 34 LYS CB C 13 32.9 0.3 . 1 . . . . . 34 LYS CB . 19949 1 132 . 1 1 34 34 LYS N N 15 121.7 0.3 . 1 . . . . . 34 LYS N . 19949 1 133 . 1 1 35 35 SER H H 1 8.32 0.02 . 1 . . . . . 35 SER H . 19949 1 134 . 1 1 35 35 SER C C 13 175.7 0.3 . 1 . . . . . 35 SER C . 19949 1 135 . 1 1 35 35 SER CA C 13 58.3 0.3 . 1 . . . . . 35 SER CA . 19949 1 136 . 1 1 35 35 SER CB C 13 63.9 0.3 . 1 . . . . . 35 SER CB . 19949 1 137 . 1 1 35 35 SER N N 15 116.7 0.3 . 1 . . . . . 35 SER N . 19949 1 138 . 1 1 38 38 GLY H H 1 8.43 0.02 . 1 . . . . . 38 GLY H . 19949 1 139 . 1 1 38 38 GLY C C 13 175.2 0.3 . 1 . . . . . 38 GLY C . 19949 1 140 . 1 1 38 38 GLY CA C 13 45.2 0.3 . 1 . . . . . 38 GLY CA . 19949 1 141 . 1 1 38 38 GLY N N 15 110.1 0.3 . 1 . . . . . 38 GLY N . 19949 1 142 . 1 1 39 39 ARG H H 1 8.33 0.02 . 1 . . . . . 39 ARG H . 19949 1 143 . 1 1 39 39 ARG C C 13 177.9 0.3 . 1 . . . . . 39 ARG C . 19949 1 144 . 1 1 39 39 ARG CA C 13 56.2 0.3 . 1 . . . . . 39 ARG CA . 19949 1 145 . 1 1 39 39 ARG CB C 13 30.8 0.3 . 1 . . . . . 39 ARG CB . 19949 1 146 . 1 1 39 39 ARG N N 15 120.8 0.3 . 1 . . . . . 39 ARG N . 19949 1 147 . 1 1 40 40 THR H H 1 8.34 0.02 . 1 . . . . . 40 THR H . 19949 1 148 . 1 1 40 40 THR C C 13 175.8 0.3 . 1 . . . . . 40 THR C . 19949 1 149 . 1 1 40 40 THR CA C 13 62.1 0.3 . 1 . . . . . 40 THR CA . 19949 1 150 . 1 1 40 40 THR CB C 13 69.8 0.3 . 1 . . . . . 40 THR CB . 19949 1 151 . 1 1 40 40 THR N N 15 115.6 0.3 . 1 . . . . . 40 THR N . 19949 1 152 . 1 1 41 41 GLN H H 1 8.51 0.02 . 1 . . . . . 41 GLN H . 19949 1 153 . 1 1 41 41 GLN C C 13 176.7 0.3 . 1 . . . . . 41 GLN C . 19949 1 154 . 1 1 41 41 GLN CA C 13 56.1 0.3 . 1 . . . . . 41 GLN CA . 19949 1 155 . 1 1 41 41 GLN CB C 13 29.4 0.3 . 1 . . . . . 41 GLN CB . 19949 1 156 . 1 1 41 41 GLN N N 15 122.0 0.3 . 1 . . . . . 41 GLN N . 19949 1 157 . 1 1 42 42 ASP H H 1 8.32 0.02 . 1 . . . . . 42 ASP H . 19949 1 158 . 1 1 42 42 ASP C C 13 177.1 0.3 . 1 . . . . . 42 ASP C . 19949 1 159 . 1 1 42 42 ASP CA C 13 54.5 0.3 . 1 . . . . . 42 ASP CA . 19949 1 160 . 1 1 42 42 ASP CB C 13 41.2 0.3 . 1 . . . . . 42 ASP CB . 19949 1 161 . 1 1 42 42 ASP N N 15 121.3 0.3 . 1 . . . . . 42 ASP N . 19949 1 162 . 1 1 43 43 GLU H H 1 8.30 0.02 . 1 . . . . . 43 GLU H . 19949 1 163 . 1 1 43 43 GLU C C 13 177.1 0.3 . 1 . . . . . 43 GLU C . 19949 1 164 . 1 1 43 43 GLU CA C 13 56.4 0.3 . 1 . . . . . 43 GLU CA . 19949 1 165 . 1 1 43 43 GLU CB C 13 30.6 0.3 . 1 . . . . . 43 GLU CB . 19949 1 166 . 1 1 43 43 GLU N N 15 120.8 0.3 . 1 . . . . . 43 GLU N . 19949 1 167 . 1 1 44 44 ASN H H 1 8.48 0.02 . 1 . . . . . 44 ASN H . 19949 1 168 . 1 1 44 44 ASN HA H 1 4.98 0.02 . 1 . . . . . 44 ASN HA . 19949 1 169 . 1 1 44 44 ASN C C 13 177.3 0.3 . 1 . . . . . 44 ASN C . 19949 1 170 . 1 1 44 44 ASN CA C 13 51.5 0.3 . 1 . . . . . 44 ASN CA . 19949 1 171 . 1 1 44 44 ASN CB C 13 38.9 0.3 . 1 . . . . . 44 ASN CB . 19949 1 172 . 1 1 44 44 ASN N N 15 120.6 0.3 . 1 . . . . . 44 ASN N . 19949 1 173 . 1 1 45 45 PRO HA H 1 4.46 0.02 . 1 . . . . . 45 PRO HA . 19949 1 174 . 1 1 45 45 PRO CA C 13 63.4 0.3 . 1 . . . . . 45 PRO CA . 19949 1 175 . 1 1 45 45 PRO N N 15 136.3 0.3 . 1 . . . . . 45 PRO N . 19949 1 176 . 1 1 46 46 VAL H H 1 8.15 0.02 . 1 . . . . . 46 VAL H . 19949 1 177 . 1 1 46 46 VAL C C 13 177.2 0.3 . 1 . . . . . 46 VAL C . 19949 1 178 . 1 1 46 46 VAL CA C 13 63.0 0.3 . 1 . . . . . 46 VAL CA . 19949 1 179 . 1 1 46 46 VAL CB C 13 32.3 0.3 . 1 . . . . . 46 VAL CB . 19949 1 180 . 1 1 46 46 VAL N N 15 120.1 0.3 . 1 . . . . . 46 VAL N . 19949 1 181 . 1 1 47 47 VAL H H 1 7.98 0.02 . 1 . . . . . 47 VAL H . 19949 1 182 . 1 1 47 47 VAL C C 13 176.8 0.3 . 1 . . . . . 47 VAL C . 19949 1 183 . 1 1 47 47 VAL CA C 13 62.4 0.3 . 1 . . . . . 47 VAL CA . 19949 1 184 . 1 1 47 47 VAL CB C 13 32.6 0.3 . 1 . . . . . 47 VAL CB . 19949 1 185 . 1 1 47 47 VAL N N 15 123.1 0.3 . 1 . . . . . 47 VAL N . 19949 1 186 . 1 1 48 48 HIS H H 1 8.26 0.02 . 1 . . . . . 48 HIS H . 19949 1 187 . 1 1 48 48 HIS C C 13 175.6 0.3 . 1 . . . . . 48 HIS C . 19949 1 188 . 1 1 48 48 HIS CA C 13 55.8 0.3 . 1 . . . . . 48 HIS CA . 19949 1 189 . 1 1 48 48 HIS CB C 13 30.3 0.3 . 1 . . . . . 48 HIS CB . 19949 1 190 . 1 1 48 48 HIS N N 15 122.4 0.3 . 1 . . . . . 48 HIS N . 19949 1 191 . 1 1 49 49 PHE H H 1 8.12 0.02 . 1 . . . . . 49 PHE H . 19949 1 192 . 1 1 49 49 PHE C C 13 176.2 0.3 . 1 . . . . . 49 PHE C . 19949 1 193 . 1 1 49 49 PHE CA C 13 57.8 0.3 . 1 . . . . . 49 PHE CA . 19949 1 194 . 1 1 49 49 PHE CB C 13 39.7 0.3 . 1 . . . . . 49 PHE CB . 19949 1 195 . 1 1 49 49 PHE N N 15 121.4 0.3 . 1 . . . . . 49 PHE N . 19949 1 196 . 1 1 50 50 PHE H H 1 8.20 0.02 . 1 . . . . . 50 PHE H . 19949 1 197 . 1 1 50 50 PHE C C 13 176.4 0.3 . 1 . . . . . 50 PHE C . 19949 1 198 . 1 1 50 50 PHE CA C 13 57.9 0.3 . 1 . . . . . 50 PHE CA . 19949 1 199 . 1 1 50 50 PHE CB C 13 39.6 0.3 . 1 . . . . . 50 PHE CB . 19949 1 200 . 1 1 50 50 PHE N N 15 121.5 0.3 . 1 . . . . . 50 PHE N . 19949 1 201 . 1 1 51 51 LYS H H 1 8.11 0.02 . 1 . . . . . 51 LYS H . 19949 1 202 . 1 1 51 51 LYS C C 13 176.7 0.3 . 1 . . . . . 51 LYS C . 19949 1 203 . 1 1 51 51 LYS CA C 13 56.3 0.3 . 1 . . . . . 51 LYS CA . 19949 1 204 . 1 1 51 51 LYS CB C 13 33.1 0.3 . 1 . . . . . 51 LYS CB . 19949 1 205 . 1 1 51 51 LYS N N 15 122.4 0.3 . 1 . . . . . 51 LYS N . 19949 1 206 . 1 1 52 52 ASN H H 1 8.33 0.02 . 1 . . . . . 52 ASN H . 19949 1 207 . 1 1 52 52 ASN C C 13 175.8 0.3 . 1 . . . . . 52 ASN C . 19949 1 208 . 1 1 52 52 ASN CA C 13 53.4 0.3 . 1 . . . . . 52 ASN CA . 19949 1 209 . 1 1 52 52 ASN CB C 13 38.9 0.3 . 1 . . . . . 52 ASN CB . 19949 1 210 . 1 1 52 52 ASN N N 15 119.5 0.3 . 1 . . . . . 52 ASN N . 19949 1 211 . 1 1 53 53 ILE H H 1 8.03 0.02 . 1 . . . . . 53 ILE H . 19949 1 212 . 1 1 53 53 ILE C C 13 177.1 0.3 . 1 . . . . . 53 ILE C . 19949 1 213 . 1 1 53 53 ILE CA C 13 61.1 0.3 . 1 . . . . . 53 ILE CA . 19949 1 214 . 1 1 53 53 ILE CB C 13 38.7 0.3 . 1 . . . . . 53 ILE CB . 19949 1 215 . 1 1 53 53 ILE N N 15 121.2 0.3 . 1 . . . . . 53 ILE N . 19949 1 216 . 1 1 54 54 VAL H H 1 8.23 0.02 . 1 . . . . . 54 VAL H . 19949 1 217 . 1 1 54 54 VAL C C 13 177.0 0.3 . 1 . . . . . 54 VAL C . 19949 1 218 . 1 1 54 54 VAL CA C 13 62.1 0.3 . 1 . . . . . 54 VAL CA . 19949 1 219 . 1 1 54 54 VAL CB C 13 32.7 0.3 . 1 . . . . . 54 VAL CB . 19949 1 220 . 1 1 54 54 VAL N N 15 124.8 0.3 . 1 . . . . . 54 VAL N . 19949 1 221 . 1 1 55 55 THR H H 1 8.27 0.02 . 1 . . . . . 55 THR H . 19949 1 222 . 1 1 55 55 THR C C 13 173.7 0.3 . 1 . . . . . 55 THR C . 19949 1 223 . 1 1 55 55 THR CA C 13 59.8 0.3 . 1 . . . . . 55 THR CA . 19949 1 224 . 1 1 55 55 THR CB C 13 69.6 0.3 . 1 . . . . . 55 THR CB . 19949 1 225 . 1 1 55 55 THR N N 15 121.0 0.3 . 1 . . . . . 55 THR N . 19949 1 226 . 1 1 56 56 PRO HA H 1 4.43 0.02 . 1 . . . . . 56 PRO HA . 19949 1 227 . 1 1 56 56 PRO CA C 13 63.1 0.3 . 1 . . . . . 56 PRO CA . 19949 1 228 . 1 1 56 56 PRO N N 15 135.7 0.3 . 1 . . . . . 56 PRO N . 19949 1 229 . 1 1 57 57 ARG H H 1 8.47 0.02 . 1 . . . . . 57 ARG H . 19949 1 230 . 1 1 57 57 ARG C C 13 177.6 0.3 . 1 . . . . . 57 ARG C . 19949 1 231 . 1 1 57 57 ARG CA C 13 56.1 0.3 . 1 . . . . . 57 ARG CA . 19949 1 232 . 1 1 57 57 ARG CB C 13 29.6 0.3 . 1 . . . . . 57 ARG CB . 19949 1 233 . 1 1 57 57 ARG N N 15 121.5 0.3 . 1 . . . . . 57 ARG N . 19949 1 234 . 1 1 58 58 THR H H 1 8.20 0.02 . 1 . . . . . 58 THR H . 19949 1 235 . 1 1 58 58 THR C C 13 173.3 0.3 . 1 . . . . . 58 THR C . 19949 1 236 . 1 1 58 58 THR CA C 13 59.8 0.3 . 1 . . . . . 58 THR CA . 19949 1 237 . 1 1 58 58 THR CB C 13 69.6 0.3 . 1 . . . . . 58 THR CB . 19949 1 238 . 1 1 58 58 THR N N 15 117.7 0.3 . 1 . . . . . 58 THR N . 19949 1 239 . 1 1 59 59 PRO HA H 1 4.68 0.02 . 1 . . . . . 59 PRO HA . 19949 1 240 . 1 1 59 59 PRO CA C 13 61.6 0.3 . 1 . . . . . 59 PRO CA . 19949 1 241 . 1 1 59 59 PRO N N 15 139.8 0.3 . 1 . . . . . 59 PRO N . 19949 1 242 . 1 1 60 60 PRO HA H 1 4.45 0.02 . 1 . . . . . 60 PRO HA . 19949 1 243 . 1 1 60 60 PRO CA C 13 63.2 0.3 . 1 . . . . . 60 PRO CA . 19949 1 244 . 1 1 60 60 PRO N N 15 136.4 0.3 . 1 . . . . . 60 PRO N . 19949 1 245 . 1 1 61 61 PRO HA H 1 4.45 0.02 . 1 . . . . . 61 PRO HA . 19949 1 246 . 1 1 61 61 PRO CA C 13 63.0 0.3 . 1 . . . . . 61 PRO CA . 19949 1 247 . 1 1 61 61 PRO N N 15 138.5 0.3 . 1 . . . . . 61 PRO N . 19949 1 248 . 1 1 62 62 SER H H 1 8.33 0.02 . 1 . . . . . 62 SER H . 19949 1 249 . 1 1 62 62 SER C C 13 175.8 0.3 . 1 . . . . . 62 SER C . 19949 1 250 . 1 1 62 62 SER CA C 13 58.3 0.3 . 1 . . . . . 62 SER CA . 19949 1 251 . 1 1 62 62 SER CB C 13 63.9 0.3 . 1 . . . . . 62 SER CB . 19949 1 252 . 1 1 62 62 SER N N 15 115.4 0.3 . 1 . . . . . 62 SER N . 19949 1 253 . 1 1 63 63 GLN H H 1 8.46 0.02 . 1 . . . . . 63 GLN H . 19949 1 254 . 1 1 63 63 GLN C C 13 177.8 0.3 . 1 . . . . . 63 GLN C . 19949 1 255 . 1 1 63 63 GLN CA C 13 56.1 0.3 . 1 . . . . . 63 GLN CA . 19949 1 256 . 1 1 63 63 GLN CB C 13 29.4 0.3 . 1 . . . . . 63 GLN CB . 19949 1 257 . 1 1 63 63 GLN N N 15 122.2 0.3 . 1 . . . . . 63 GLN N . 19949 1 258 . 1 1 64 64 GLY H H 1 8.45 0.02 . 1 . . . . . 64 GLY H . 19949 1 259 . 1 1 64 64 GLY C C 13 175.2 0.3 . 1 . . . . . 64 GLY C . 19949 1 260 . 1 1 64 64 GLY CA C 13 45.3 0.3 . 1 . . . . . 64 GLY CA . 19949 1 261 . 1 1 64 64 GLY N N 15 109.8 0.3 . 1 . . . . . 64 GLY N . 19949 1 262 . 1 1 65 65 LYS H H 1 8.30 0.02 . 1 . . . . . 65 LYS H . 19949 1 263 . 1 1 65 65 LYS C C 13 178.1 0.3 . 1 . . . . . 65 LYS C . 19949 1 264 . 1 1 65 65 LYS CA C 13 56.4 0.3 . 1 . . . . . 65 LYS CA . 19949 1 265 . 1 1 65 65 LYS CB C 13 30.5 0.3 . 1 . . . . . 65 LYS CB . 19949 1 266 . 1 1 65 65 LYS N N 15 120.7 0.3 . 1 . . . . . 65 LYS N . 19949 1 267 . 1 1 66 66 GLY H H 1 8.53 0.02 . 1 . . . . . 66 GLY H . 19949 1 268 . 1 1 66 66 GLY C C 13 175.2 0.3 . 1 . . . . . 66 GLY C . 19949 1 269 . 1 1 66 66 GLY CA C 13 45.3 0.3 . 1 . . . . . 66 GLY CA . 19949 1 270 . 1 1 66 66 GLY N N 15 110.2 0.3 . 1 . . . . . 66 GLY N . 19949 1 271 . 1 1 67 67 ARG H H 1 8.31 0.02 . 1 . . . . . 67 ARG H . 19949 1 272 . 1 1 67 67 ARG C C 13 177.1 0.3 . 1 . . . . . 67 ARG C . 19949 1 273 . 1 1 67 67 ARG CA C 13 56.4 0.3 . 1 . . . . . 67 ARG CA . 19949 1 274 . 1 1 67 67 ARG CB C 13 30.5 0.3 . 1 . . . . . 67 ARG CB . 19949 1 275 . 1 1 67 67 ARG N N 15 120.6 0.3 . 1 . . . . . 67 ARG N . 19949 1 276 . 1 1 68 68 GLY H H 1 8.51 0.02 . 1 . . . . . 68 GLY H . 19949 1 277 . 1 1 68 68 GLY C C 13 175.2 0.3 . 1 . . . . . 68 GLY C . 19949 1 278 . 1 1 68 68 GLY CA C 13 45.3 0.3 . 1 . . . . . 68 GLY CA . 19949 1 279 . 1 1 68 68 GLY N N 15 109.9 0.3 . 1 . . . . . 68 GLY N . 19949 1 280 . 1 1 69 69 LEU H H 1 8.17 0.02 . 1 . . . . . 69 LEU H . 19949 1 281 . 1 1 69 69 LEU C C 13 177.8 0.3 . 1 . . . . . 69 LEU C . 19949 1 282 . 1 1 69 69 LEU CA C 13 55.3 0.3 . 1 . . . . . 69 LEU CA . 19949 1 283 . 1 1 69 69 LEU CB C 13 42.5 0.3 . 1 . . . . . 69 LEU CB . 19949 1 284 . 1 1 69 69 LEU N N 15 122.0 0.3 . 1 . . . . . 69 LEU N . 19949 1 285 . 1 1 70 70 SER H H 1 7.94 0.02 . 1 . . . . . 70 SER H . 19949 1 286 . 1 1 70 70 SER C C 13 179.7 0.3 . 1 . . . . . 70 SER C . 19949 1 287 . 1 1 70 70 SER CA C 13 60.0 0.3 . 1 . . . . . 70 SER CA . 19949 1 288 . 1 1 70 70 SER CB C 13 64.9 0.3 . 1 . . . . . 70 SER CB . 19949 1 289 . 1 1 70 70 SER N N 15 121.6 0.3 . 1 . . . . . 70 SER N . 19949 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronuclear_T1_list_EPPH+Fyn _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronuclear_T1_list_EPPH+Fyn _Heteronucl_T1_list.Entry_ID 19949 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600.00000 _Heteronucl_T1_list.T1_coherence_type Iz _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 1 '2D 1H-15N HSQC' . . . 19949 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 3 $SPARKY . . 19949 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 GLY N N 15 0.7123 0.0185 . . . . . 19949 1 2 . 1 1 4 4 ARG N N 15 0.6526 0.0181 . . . . . 19949 1 3 . 1 1 5 5 PHE N N 15 0.6376 0.0304 . . . . . 19949 1 4 . 1 1 6 6 PHE N N 15 0.6138 0.0218 . . . . . 19949 1 5 . 1 1 7 7 SER N N 15 0.5860 0.0207 . . . . . 19949 1 6 . 1 1 8 8 GLY N N 15 0.5344 0.0296 . . . . . 19949 1 7 . 1 1 9 9 ASP N N 15 0.5819 0.0113 . . . . . 19949 1 8 . 1 1 10 10 ARG N N 15 0.6409 0.0162 . . . . . 19949 1 9 . 1 1 11 11 GLY N N 15 0.5830 0.0294 . . . . . 19949 1 10 . 1 1 12 12 ALA N N 15 0.5932 0.0097 . . . . . 19949 1 11 . 1 1 14 14 LYS N N 15 0.6004 0.0133 . . . . . 19949 1 12 . 1 1 15 15 ARG N N 15 0.5874 0.0232 . . . . . 19949 1 13 . 1 1 16 16 GLY N N 15 0.6193 0.0441 . . . . . 19949 1 14 . 1 1 17 17 SER N N 15 0.6577 0.0138 . . . . . 19949 1 15 . 1 1 18 18 GLY N N 15 0.5206 0.0355 . . . . . 19949 1 16 . 1 1 19 19 LYS N N 15 0.6243 0.0243 . . . . . 19949 1 17 . 1 1 20 20 ASP N N 15 0.6081 0.0065 . . . . . 19949 1 18 . 1 1 21 21 SER N N 15 0.5470 0.0466 . . . . . 19949 1 19 . 1 1 23 23 THR N N 15 0.5556 0.0755 . . . . . 19949 1 20 . 1 1 24 24 ARG N N 15 0.5236 0.0174 . . . . . 19949 1 21 . 1 1 25 25 THR N N 15 0.5579 0.0386 . . . . . 19949 1 22 . 1 1 26 26 THR N N 15 0.6086 0.0116 . . . . . 19949 1 23 . 1 1 28 28 TYR N N 15 0.6228 0.0210 . . . . . 19949 1 24 . 1 1 29 29 GLY N N 15 0.5795 0.0269 . . . . . 19949 1 25 . 1 1 30 30 SER N N 15 0.5795 0.0269 . . . . . 19949 1 26 . 1 1 31 31 LEU N N 15 0.6946 0.0100 . . . . . 19949 1 27 . 1 1 34 34 LYS N N 15 0.6087 0.0094 . . . . . 19949 1 28 . 1 1 35 35 SER N N 15 0.6572 0.0484 . . . . . 19949 1 29 . 1 1 38 38 GLY N N 15 0.6316 0.0490 . . . . . 19949 1 30 . 1 1 39 39 ARG N N 15 0.6704 0.0158 . . . . . 19949 1 31 . 1 1 40 40 THR N N 15 0.6235 0.0193 . . . . . 19949 1 32 . 1 1 41 41 GLN N N 15 0.5553 0.0222 . . . . . 19949 1 33 . 1 1 42 42 ASP N N 15 0.6132 0.0143 . . . . . 19949 1 34 . 1 1 43 43 GLU N N 15 0.6022 0.0118 . . . . . 19949 1 35 . 1 1 44 44 ASN N N 15 0.6055 0.0141 . . . . . 19949 1 36 . 1 1 46 46 VAL N N 15 0.6481 0.0072 . . . . . 19949 1 37 . 1 1 47 47 VAL N N 15 0.6366 0.0168 . . . . . 19949 1 38 . 1 1 48 48 HIS N N 15 0.6332 0.0250 . . . . . 19949 1 39 . 1 1 49 49 PHE N N 15 0.5563 0.0317 . . . . . 19949 1 40 . 1 1 50 50 PHE N N 15 0.5803 0.0177 . . . . . 19949 1 41 . 1 1 51 51 LYS N N 15 0.5909 0.0264 . . . . . 19949 1 42 . 1 1 52 52 ASN N N 15 0.6519 0.0392 . . . . . 19949 1 43 . 1 1 53 53 ILE N N 15 0.6415 0.0135 . . . . . 19949 1 44 . 1 1 54 54 VAL N N 15 0.6605 0.0107 . . . . . 19949 1 45 . 1 1 55 55 THR N N 15 0.6257 0.0200 . . . . . 19949 1 46 . 1 1 57 57 ARG N N 15 0.5832 0.0215 . . . . . 19949 1 47 . 1 1 58 58 THR N N 15 0.6249 0.0202 . . . . . 19949 1 48 . 1 1 62 62 SER N N 15 0.6710 0.0149 . . . . . 19949 1 49 . 1 1 63 63 GLN N N 15 0.5875 0.0138 . . . . . 19949 1 50 . 1 1 64 64 GLY N N 15 0.6448 0.0315 . . . . . 19949 1 51 . 1 1 65 65 LYS N N 15 0.5783 0.0118 . . . . . 19949 1 52 . 1 1 66 66 GLY N N 15 0.7028 0.0346 . . . . . 19949 1 53 . 1 1 67 67 ARG N N 15 0.7387 0.0129 . . . . . 19949 1 54 . 1 1 68 68 GLY N N 15 0.6954 0.0313 . . . . . 19949 1 55 . 1 1 69 69 LEU N N 15 0.7703 0.0141 . . . . . 19949 1 56 . 1 1 70 70 SER N N 15 1.2520 0.0159 . . . . . 19949 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronuclear_T2_list_EPPH+Fyn _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronuclear_T2_list_EPPH+Fyn _Heteronucl_T2_list.Entry_ID 19949 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'temperature compensation block' _Heteronucl_T2_list.Spectrometer_frequency_1H 600.00000 _Heteronucl_T2_list.T2_coherence_type I(+,-) _Heteronucl_T2_list.T2_val_units s _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 1 '2D 1H-15N HSQC' . . . 19949 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 3 $SPARKY . . 19949 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 GLY N N 15 0.3432 0.0337 . . . . . . . 19949 1 2 . 1 1 4 4 ARG N N 15 0.3074 0.0291 . . . . . . . 19949 1 3 . 1 1 5 5 PHE N N 15 0.2915 0.0268 . . . . . . . 19949 1 4 . 1 1 6 6 PHE N N 15 0.2455 0.0173 . . . . . . . 19949 1 5 . 1 1 7 7 SER N N 15 0.2256 0.0259 . . . . . . . 19949 1 6 . 1 1 8 8 GLY N N 15 0.2706 0.0316 . . . . . . . 19949 1 7 . 1 1 9 9 ASP N N 15 0.2782 0.0233 . . . . . . . 19949 1 8 . 1 1 10 10 ARG N N 15 0.2620 0.0171 . . . . . . . 19949 1 9 . 1 1 11 11 GLY N N 15 0.2574 0.0235 . . . . . . . 19949 1 10 . 1 1 12 12 ALA N N 15 0.2787 0.0160 . . . . . . . 19949 1 11 . 1 1 14 14 LYS N N 15 0.2388 0.0103 . . . . . . . 19949 1 12 . 1 1 15 15 ARG N N 15 0.2514 0.0189 . . . . . . . 19949 1 13 . 1 1 16 16 GLY N N 15 0.2704 0.0246 . . . . . . . 19949 1 14 . 1 1 17 17 SER N N 15 0.2241 0.0169 . . . . . . . 19949 1 15 . 1 1 18 18 GLY N N 15 0.2751 0.0312 . . . . . . . 19949 1 16 . 1 1 19 19 LYS N N 15 0.2622 0.0198 . . . . . . . 19949 1 17 . 1 1 20 20 ASP N N 15 0.2616 0.0232 . . . . . . . 19949 1 18 . 1 1 21 21 SER N N 15 0.2506 0.0248 . . . . . . . 19949 1 19 . 1 1 23 23 THR N N 15 0.2072 0.0213 . . . . . . . 19949 1 20 . 1 1 24 24 ARG N N 15 0.2212 0.0226 . . . . . . . 19949 1 21 . 1 1 25 25 THR N N 15 0.1925 0.0138 . . . . . . . 19949 1 22 . 1 1 26 26 THR N N 15 0.1942 0.0187 . . . . . . . 19949 1 23 . 1 1 28 28 TYR N N 15 0.1550 0.0104 . . . . . . . 19949 1 24 . 1 1 29 29 GLY N N 15 0.1985 0.0158 . . . . . . . 19949 1 25 . 1 1 30 30 SER N N 15 0.2077 0.0146 . . . . . . . 19949 1 26 . 1 1 31 31 LEU N N 15 0.2382 0.0076 . . . . . . . 19949 1 27 . 1 1 34 34 LYS N N 15 0.2455 0.0134 . . . . . . . 19949 1 28 . 1 1 35 35 SER N N 15 0.2267 0.0286 . . . . . . . 19949 1 29 . 1 1 38 38 GLY N N 15 0.3914 0.0709 . . . . . . . 19949 1 30 . 1 1 39 39 ARG N N 15 0.2736 0.0268 . . . . . . . 19949 1 31 . 1 1 40 40 THR N N 15 0.2511 0.0229 . . . . . . . 19949 1 32 . 1 1 41 41 GLN N N 15 0.2595 0.0180 . . . . . . . 19949 1 33 . 1 1 42 42 ASP N N 15 0.2542 0.0129 . . . . . . . 19949 1 34 . 1 1 43 43 GLU N N 15 0.3129 0.0190 . . . . . . . 19949 1 35 . 1 1 44 44 ASN N N 15 0.2362 0.0104 . . . . . . . 19949 1 36 . 1 1 46 46 VAL N N 15 0.2538 0.0043 . . . . . . . 19949 1 37 . 1 1 47 47 VAL N N 15 0.2109 0.0027 . . . . . . . 19949 1 38 . 1 1 48 48 HIS N N 15 0.2500 0.0190 . . . . . . . 19949 1 39 . 1 1 49 49 PHE N N 15 0.1868 0.0188 . . . . . . . 19949 1 40 . 1 1 50 50 PHE N N 15 0.1652 0.0188 . . . . . . . 19949 1 41 . 1 1 51 51 LYS N N 15 0.2073 0.0095 . . . . . . . 19949 1 42 . 1 1 52 52 ASN N N 15 0.1738 0.0161 . . . . . . . 19949 1 43 . 1 1 53 53 ILE N N 15 0.2187 0.0091 . . . . . . . 19949 1 44 . 1 1 54 54 VAL N N 15 0.2112 0.0056 . . . . . . . 19949 1 45 . 1 1 55 55 THR N N 15 0.2536 0.0182 . . . . . . . 19949 1 46 . 1 1 57 57 ARG N N 15 0.2102 0.0088 . . . . . . . 19949 1 47 . 1 1 58 58 THR N N 15 0.1241 0.0033 . . . . . . . 19949 1 48 . 1 1 62 62 SER N N 15 0.2198 0.0174 . . . . . . . 19949 1 49 . 1 1 63 63 GLN N N 15 0.2777 0.0260 . . . . . . . 19949 1 50 . 1 1 64 64 GLY N N 15 0.3482 0.0425 . . . . . . . 19949 1 51 . 1 1 65 65 LYS N N 15 0.3096 0.0178 . . . . . . . 19949 1 52 . 1 1 66 66 GLY N N 15 0.4431 0.0693 . . . . . . . 19949 1 53 . 1 1 67 67 ARG N N 15 0.3229 0.0378 . . . . . . . 19949 1 54 . 1 1 68 68 GLY N N 15 0.4121 0.0540 . . . . . . . 19949 1 55 . 1 1 69 69 LEU N N 15 0.5159 0.0717 . . . . . . . 19949 1 56 . 1 1 70 70 SER N N 15 1.0760 0.0800 . . . . . . . 19949 1 stop_ save_