data_19972 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19972 _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 2014-05-13 _Entry.Accession_date 2014-05-13 _Entry.Last_release_date 2014-05-14 _Entry.Original_release_date 2014-05-14 _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' . . . . 19972 2 Kenrick Vassall . . . . 19972 3 Graham Smith . . . . 19972 4 Vladimir Bamm . . . . 19972 5 George Harauz . . . . 19972 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19972 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 130 19972 '15N chemical shifts' 35 19972 '1H chemical shifts' 145 19972 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 . 19972 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' 19972 BMRB 18520 'S72-S107 peptide of 18.5kDa murine myelin basic protein (MBP) in association with dodecylphosphocholine micelles' 19972 BMRB 19186 'S72-S107 peptide of 18.5kDa murine myelin basic protein (MBP)' 19972 BMRB 19948 'MBP S38-S107 peptide of 18.5 kDa' 19972 BMRB 19949 'MBP S38-S107 peptide in the presence of Fyn-SH3' 19972 BMRB 6100 '18.5kDa isoform of murine myelin basic protein (MBP)' 19972 BMRB 6857 'FF2 immunodominant peptide' 19972 PDB 2LUG . 19972 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19972 _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' . . . . 19972 1 2 Kenrick Vassall . A. . . 19972 1 3 Graham Smith . . . . 19972 1 4 Vladimir Bamm . V. . . 19972 1 5 George Harauz . . . . 19972 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19972 _Assembly.ID 1 _Assembly.Name 'MBP S72-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_S72-S107_peptide A . yes native no no . . . 19972 1 2 'Fyn peptide' 2 $Fyn_SH3_domain B . no native no no . . . 19972 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MBP_S72-S107_peptide _Entity.Sf_category entity _Entity.Sf_framecode MBP_S72-S107_peptide _Entity.Entry_ID 19972 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MBP_S72-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 ; SQHGRTQDENPVVHFFKNIV TPRTPPPSQGKGRGLS ; _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 36 _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 1 SER . 19972 1 2 2 GLN . 19972 1 3 3 HIS . 19972 1 4 4 GLY . 19972 1 5 5 ARG . 19972 1 6 6 THR . 19972 1 7 7 GLN . 19972 1 8 8 ASP . 19972 1 9 9 GLU . 19972 1 10 10 ASN . 19972 1 11 11 PRO . 19972 1 12 12 VAL . 19972 1 13 13 VAL . 19972 1 14 14 HIS . 19972 1 15 15 PHE . 19972 1 16 16 PHE . 19972 1 17 17 LYS . 19972 1 18 18 ASN . 19972 1 19 19 ILE . 19972 1 20 20 VAL . 19972 1 21 21 THR . 19972 1 22 22 PRO . 19972 1 23 23 ARG . 19972 1 24 24 THR . 19972 1 25 25 PRO . 19972 1 26 26 PRO . 19972 1 27 27 PRO . 19972 1 28 28 SER . 19972 1 29 29 GLN . 19972 1 30 30 GLY . 19972 1 31 31 LYS . 19972 1 32 32 GLY . 19972 1 33 33 ARG . 19972 1 34 34 GLY . 19972 1 35 35 LEU . 19972 1 36 36 SER . 19972 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 19972 1 . GLN 2 2 19972 1 . HIS 3 3 19972 1 . GLY 4 4 19972 1 . ARG 5 5 19972 1 . THR 6 6 19972 1 . GLN 7 7 19972 1 . ASP 8 8 19972 1 . GLU 9 9 19972 1 . ASN 10 10 19972 1 . PRO 11 11 19972 1 . VAL 12 12 19972 1 . VAL 13 13 19972 1 . HIS 14 14 19972 1 . PHE 15 15 19972 1 . PHE 16 16 19972 1 . LYS 17 17 19972 1 . ASN 18 18 19972 1 . ILE 19 19 19972 1 . VAL 20 20 19972 1 . THR 21 21 19972 1 . PRO 22 22 19972 1 . ARG 23 23 19972 1 . THR 24 24 19972 1 . PRO 25 25 19972 1 . PRO 26 26 19972 1 . PRO 27 27 19972 1 . SER 28 28 19972 1 . GLN 29 29 19972 1 . GLY 30 30 19972 1 . LYS 31 31 19972 1 . GLY 32 32 19972 1 . ARG 33 33 19972 1 . GLY 34 34 19972 1 . LEU 35 35 19972 1 . SER 36 36 19972 1 stop_ save_ save_Fyn_SH3_domain _Entity.Sf_category entity _Entity.Sf_framecode Fyn_SH3_domain _Entity.Entry_ID 19972 _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 1 MET . 19972 2 2 2 VAL . 19972 2 3 3 GLN . 19972 2 4 4 ILE . 19972 2 5 5 SER . 19972 2 6 6 VAL . 19972 2 7 7 THR . 19972 2 8 8 LEU . 19972 2 9 9 PHE . 19972 2 10 10 VAL . 19972 2 11 11 ALA . 19972 2 12 12 LEU . 19972 2 13 13 TYR . 19972 2 14 14 ASP . 19972 2 15 15 TYR . 19972 2 16 16 GLU . 19972 2 17 17 ALA . 19972 2 18 18 ARG . 19972 2 19 19 THR . 19972 2 20 20 GLU . 19972 2 21 21 ASP . 19972 2 22 22 ASP . 19972 2 23 23 LEU . 19972 2 24 24 SER . 19972 2 25 25 PHE . 19972 2 26 26 HIS . 19972 2 27 27 LYS . 19972 2 28 28 GLY . 19972 2 29 29 GLU . 19972 2 30 30 LYS . 19972 2 31 31 PHE . 19972 2 32 32 GLN . 19972 2 33 33 ILE . 19972 2 34 34 LEU . 19972 2 35 35 ASN . 19972 2 36 36 SER . 19972 2 37 37 SER . 19972 2 38 38 GLU . 19972 2 39 39 GLY . 19972 2 40 40 ASP . 19972 2 41 41 TRP . 19972 2 42 42 TRP . 19972 2 43 43 GLU . 19972 2 44 44 ALA . 19972 2 45 45 ARG . 19972 2 46 46 SER . 19972 2 47 47 LEU . 19972 2 48 48 THR . 19972 2 49 49 THR . 19972 2 50 50 GLY . 19972 2 51 51 GLU . 19972 2 52 52 THR . 19972 2 53 53 GLY . 19972 2 54 54 TYR . 19972 2 55 55 ILE . 19972 2 56 56 PRO . 19972 2 57 57 SER . 19972 2 58 58 ASN . 19972 2 59 59 TYR . 19972 2 60 60 VAL . 19972 2 61 61 ALA . 19972 2 62 62 PRO . 19972 2 63 63 VAL . 19972 2 64 64 ASP . 19972 2 65 65 ARG . 19972 2 66 66 LEU . 19972 2 67 67 ASP . 19972 2 68 68 TYR . 19972 2 69 69 LYS . 19972 2 70 70 ASP . 19972 2 71 71 ASP . 19972 2 72 72 ASP . 19972 2 73 73 ASP . 19972 2 74 74 LYS . 19972 2 75 75 HIS . 19972 2 76 76 HIS . 19972 2 77 77 HIS . 19972 2 78 78 HIS . 19972 2 79 79 HIS . 19972 2 80 80 HIS . 19972 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 19972 2 . VAL 2 2 19972 2 . GLN 3 3 19972 2 . ILE 4 4 19972 2 . SER 5 5 19972 2 . VAL 6 6 19972 2 . THR 7 7 19972 2 . LEU 8 8 19972 2 . PHE 9 9 19972 2 . VAL 10 10 19972 2 . ALA 11 11 19972 2 . LEU 12 12 19972 2 . TYR 13 13 19972 2 . ASP 14 14 19972 2 . TYR 15 15 19972 2 . GLU 16 16 19972 2 . ALA 17 17 19972 2 . ARG 18 18 19972 2 . THR 19 19 19972 2 . GLU 20 20 19972 2 . ASP 21 21 19972 2 . ASP 22 22 19972 2 . LEU 23 23 19972 2 . SER 24 24 19972 2 . PHE 25 25 19972 2 . HIS 26 26 19972 2 . LYS 27 27 19972 2 . GLY 28 28 19972 2 . GLU 29 29 19972 2 . LYS 30 30 19972 2 . PHE 31 31 19972 2 . GLN 32 32 19972 2 . ILE 33 33 19972 2 . LEU 34 34 19972 2 . ASN 35 35 19972 2 . SER 36 36 19972 2 . SER 37 37 19972 2 . GLU 38 38 19972 2 . GLY 39 39 19972 2 . ASP 40 40 19972 2 . TRP 41 41 19972 2 . TRP 42 42 19972 2 . GLU 43 43 19972 2 . ALA 44 44 19972 2 . ARG 45 45 19972 2 . SER 46 46 19972 2 . LEU 47 47 19972 2 . THR 48 48 19972 2 . THR 49 49 19972 2 . GLY 50 50 19972 2 . GLU 51 51 19972 2 . THR 52 52 19972 2 . GLY 53 53 19972 2 . TYR 54 54 19972 2 . ILE 55 55 19972 2 . PRO 56 56 19972 2 . SER 57 57 19972 2 . ASN 58 58 19972 2 . TYR 59 59 19972 2 . VAL 60 60 19972 2 . ALA 61 61 19972 2 . PRO 62 62 19972 2 . VAL 63 63 19972 2 . ASP 64 64 19972 2 . ARG 65 65 19972 2 . LEU 66 66 19972 2 . ASP 67 67 19972 2 . TYR 68 68 19972 2 . LYS 69 69 19972 2 . ASP 70 70 19972 2 . ASP 71 71 19972 2 . ASP 72 72 19972 2 . ASP 73 73 19972 2 . LYS 74 74 19972 2 . HIS 75 75 19972 2 . HIS 76 76 19972 2 . HIS 77 77 19972 2 . HIS 78 78 19972 2 . HIS 79 79 19972 2 . HIS 80 80 19972 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 19972 _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_S72-S107_peptide . 10090 organism . 'Mus musculus' 'House mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 19972 1 2 2 $Fyn_SH3_domain . 9031 organism . 'Gallus gallus' chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . 19972 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 19972 _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_S72-S107_peptide . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'pET-SUMO vector' . . . 19972 1 2 2 $Fyn_SH3_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pAD100 . . . 19972 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 19972 _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_S72-S107_peptide . . 850 . . mM . . . . 19972 1 2 'Fyn SH3 domain' 'natural abundance' . . 2 $Fyn_SH3_domain . . 850 . . mM . . . . 19972 1 3 D2O [U-2H] . . . . . . 10 . . % . . . . 19972 1 4 HEPES-NaOH 'natural abundance' . . . . . . 20 . . mM . . . . 19972 1 5 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 19972 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19972 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 19972 _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 19972 1 pH 7.4 . pH 19972 1 pressure ambient . atm 19972 1 temperature 295 . K 19972 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19972 _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' . . 19972 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19972 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19972 _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' . . 19972 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19972 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19972 _Software.ID 3 _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' . . 19972 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19972 3 'peak picking' 19972 3 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 19972 _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 19972 _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 . . . 19972 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 19972 _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 . . . . . . . . . . . . . . . . 19972 1 2 '3D HNCO' no . . . . . . . . . . 1 $MBP+Fyn_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19972 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $MBP+Fyn_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19972 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $MBP+Fyn_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19972 1 5 '3D HNCACB' no . . . . . . . . . . 1 $MBP+Fyn_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19972 1 6 '3D HACAN' no . . . . . . . . . . 1 $MBP+Fyn_sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19972 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 19972 _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 . . . . . 19972 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 19972 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 19972 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_PPH+Fyn_Assignments _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode PPH+Fyn_Assignments _Assigned_chem_shift_list.Entry_ID 19972 _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' . . . 19972 1 2 '3D HNCO' . . . 19972 1 3 '3D HN(CA)CO' . . . 19972 1 4 '3D CBCA(CO)NH' . . . 19972 1 5 '3D HNCACB' . . . 19972 1 6 '3D HACAN' . . . 19972 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 2 2 GLN H H 1 8.48 0.02 . 1 . . . . . 2 GLN H . 19972 1 2 . 1 1 2 2 GLN HA H 1 4.34 0.02 . 1 . . . . . 2 GLN HA . 19972 1 3 . 1 1 2 2 GLN C C 13 175.7 0.3 . 1 . . . . . 2 GLN C . 19972 1 4 . 1 1 2 2 GLN CA C 13 55.9 0.3 . 1 . . . . . 2 GLN CA . 19972 1 5 . 1 1 2 2 GLN CB C 13 29.4 0.3 . 1 . . . . . 2 GLN CB . 19972 1 6 . 1 1 2 2 GLN N N 15 122.0 0.3 . 1 . . . . . 2 GLN N . 19972 1 7 . 1 1 3 3 HIS H H 1 8.50 0.02 . 1 . . . . . 3 HIS H . 19972 1 8 . 1 1 3 3 HIS HA H 1 4.61 0.02 . 1 . . . . . 3 HIS HA . 19972 1 9 . 1 1 3 3 HIS HB2 H 1 1.99 0.02 . 2 . . . . . 3 HIS HB2 . 19972 1 10 . 1 1 3 3 HIS HB3 H 1 1.90 0.02 . 2 . . . . . 3 HIS HB3 . 19972 1 11 . 1 1 3 3 HIS C C 13 175.4 0.3 . 1 . . . . . 3 HIS C . 19972 1 12 . 1 1 3 3 HIS CA C 13 55.9 0.3 . 1 . . . . . 3 HIS CA . 19972 1 13 . 1 1 3 3 HIS CB C 13 29.7 0.3 . 1 . . . . . 3 HIS CB . 19972 1 14 . 1 1 3 3 HIS N N 15 120.3 0.3 . 1 . . . . . 3 HIS N . 19972 1 15 . 1 1 4 4 GLY H H 1 8.39 0.02 . 1 . . . . . 4 GLY H . 19972 1 16 . 1 1 4 4 GLY HA2 H 1 3.94 0.02 . 2 . . . . . 4 GLY HA2 . 19972 1 17 . 1 1 4 4 GLY HA3 H 1 3.94 0.02 . 2 . . . . . 4 GLY HA3 . 19972 1 18 . 1 1 4 4 GLY C C 13 173.9 0.3 . 1 . . . . . 4 GLY C . 19972 1 19 . 1 1 4 4 GLY CA C 13 45.1 0.3 . 1 . . . . . 4 GLY CA . 19972 1 20 . 1 1 4 4 GLY N N 15 110.4 0.3 . 1 . . . . . 4 GLY N . 19972 1 21 . 1 1 5 5 ARG H H 1 8.31 0.02 . 1 . . . . . 5 ARG H . 19972 1 22 . 1 1 5 5 ARG HA H 1 4.41 0.02 . 1 . . . . . 5 ARG HA . 19972 1 23 . 1 1 5 5 ARG HB2 H 1 1.82 0.02 . 1 . . . . . 5 ARG HB2 . 19972 1 24 . 1 1 5 5 ARG HG2 H 1 1.57 0.02 . 1 . . . . . 5 ARG HG2 . 19972 1 25 . 1 1 5 5 ARG HD2 H 1 3.11 0.02 . 1 . . . . . 5 ARG HD2 . 19972 1 26 . 1 1 5 5 ARG C C 13 176.8 0.3 . 1 . . . . . 5 ARG C . 19972 1 27 . 1 1 5 5 ARG CA C 13 56.0 0.3 . 1 . . . . . 5 ARG CA . 19972 1 28 . 1 1 5 5 ARG CB C 13 30.7 0.3 . 1 . . . . . 5 ARG CB . 19972 1 29 . 1 1 5 5 ARG CG C 13 26.8 0.3 . 1 . . . . . 5 ARG CG . 19972 1 30 . 1 1 5 5 ARG CD C 13 42.8 0.3 . 1 . . . . . 5 ARG CD . 19972 1 31 . 1 1 5 5 ARG N N 15 120.9 0.3 . 1 . . . . . 5 ARG N . 19972 1 32 . 1 1 6 6 THR H H 1 8.31 0.02 . 1 . . . . . 6 THR H . 19972 1 33 . 1 1 6 6 THR HA H 1 4.31 0.02 . 1 . . . . . 6 THR HA . 19972 1 34 . 1 1 6 6 THR HB H 1 4.21 0.02 . 1 . . . . . 6 THR HB . 19972 1 35 . 1 1 6 6 THR HG21 H 1 1.17 0.02 . 1 . . . . . 6 THR HG2 . 19972 1 36 . 1 1 6 6 THR HG22 H 1 1.17 0.02 . 1 . . . . . 6 THR HG2 . 19972 1 37 . 1 1 6 6 THR HG23 H 1 1.17 0.02 . 1 . . . . . 6 THR HG2 . 19972 1 38 . 1 1 6 6 THR C C 13 174.7 0.3 . 1 . . . . . 6 THR C . 19972 1 39 . 1 1 6 6 THR CA C 13 62.1 0.3 . 1 . . . . . 6 THR CA . 19972 1 40 . 1 1 6 6 THR CB C 13 69.6 0.3 . 1 . . . . . 6 THR CB . 19972 1 41 . 1 1 6 6 THR CG2 C 13 21.5 0.3 . 1 . . . . . 6 THR CG2 . 19972 1 42 . 1 1 6 6 THR N N 15 115.8 0.3 . 1 . . . . . 6 THR N . 19972 1 43 . 1 1 7 7 GLN H H 1 8.48 0.02 . 1 . . . . . 7 GLN H . 19972 1 44 . 1 1 7 7 GLN HA H 1 4.34 0.02 . 1 . . . . . 7 GLN HA . 19972 1 45 . 1 1 7 7 GLN C C 13 175.6 0.3 . 1 . . . . . 7 GLN C . 19972 1 46 . 1 1 7 7 GLN CA C 13 56.0 0.3 . 1 . . . . . 7 GLN CA . 19972 1 47 . 1 1 7 7 GLN CB C 13 29.1 0.3 . 1 . . . . . 7 GLN CB . 19972 1 48 . 1 1 7 7 GLN N N 15 122.0 0.3 . 1 . . . . . 7 GLN N . 19972 1 49 . 1 1 8 8 ASP H H 1 8.27 0.02 . 1 . . . . . 8 ASP H . 19972 1 50 . 1 1 8 8 ASP HA H 1 4.55 0.02 . 1 . . . . . 8 ASP HA . 19972 1 51 . 1 1 8 8 ASP HB2 H 1 2.69 0.02 . 2 . . . . . 8 ASP HB2 . 19972 1 52 . 1 1 8 8 ASP HB3 H 1 2.66 0.02 . 2 . . . . . 8 ASP HB3 . 19972 1 53 . 1 1 8 8 ASP C C 13 176.0 0.3 . 1 . . . . . 8 ASP C . 19972 1 54 . 1 1 8 8 ASP CA C 13 54.5 0.3 . 1 . . . . . 8 ASP CA . 19972 1 55 . 1 1 8 8 ASP CB C 13 41.1 0.3 . 1 . . . . . 8 ASP CB . 19972 1 56 . 1 1 8 8 ASP N N 15 121.3 0.3 . 1 . . . . . 8 ASP N . 19972 1 57 . 1 1 9 9 GLU H H 1 8.26 0.02 . 1 . . . . . 9 GLU H . 19972 1 58 . 1 1 9 9 GLU HA H 1 4.23 0.02 . 1 . . . . . 9 GLU HA . 19972 1 59 . 1 1 9 9 GLU C C 13 176.0 0.3 . 1 . . . . . 9 GLU C . 19972 1 60 . 1 1 9 9 GLU CA C 13 56.4 0.3 . 1 . . . . . 9 GLU CA . 19972 1 61 . 1 1 9 9 GLU CB C 13 30.3 0.3 . 1 . . . . . 9 GLU CB . 19972 1 62 . 1 1 9 9 GLU CG C 13 36.0 0.3 . 1 . . . . . 9 GLU CG . 19972 1 63 . 1 1 9 9 GLU N N 15 120.8 0.3 . 1 . . . . . 9 GLU N . 19972 1 64 . 1 1 10 10 ASN H H 1 8.44 0.02 . 1 . . . . . 10 ASN H . 19972 1 65 . 1 1 10 10 ASN HA H 1 4.91 0.02 . 1 . . . . . 10 ASN HA . 19972 1 66 . 1 1 10 10 ASN HB2 H 1 2.76 0.02 . 2 . . . . . 10 ASN HB2 . 19972 1 67 . 1 1 10 10 ASN HB3 H 1 2.65 0.02 . 2 . . . . . 10 ASN HB3 . 19972 1 68 . 1 1 10 10 ASN C C 13 173.1 0.3 . 1 . . . . . 10 ASN C . 19972 1 69 . 1 1 10 10 ASN CA C 13 51.4 0.3 . 1 . . . . . 10 ASN CA . 19972 1 70 . 1 1 10 10 ASN CB C 13 38.7 0.3 . 1 . . . . . 10 ASN CB . 19972 1 71 . 1 1 10 10 ASN N N 15 120.6 0.3 . 1 . . . . . 10 ASN N . 19972 1 72 . 1 1 11 11 PRO HA H 1 4.41 0.02 . 1 . . . . . 11 PRO HA . 19972 1 73 . 1 1 11 11 PRO C C 13 176.9 0.3 . 1 . . . . . 11 PRO C . 19972 1 74 . 1 1 11 11 PRO CA C 13 63.3 0.3 . 1 . . . . . 11 PRO CA . 19972 1 75 . 1 1 11 11 PRO CB C 13 31.9 0.3 . 1 . . . . . 11 PRO CB . 19972 1 76 . 1 1 11 11 PRO CG C 13 27.1 0.3 . 1 . . . . . 11 PRO CG . 19972 1 77 . 1 1 11 11 PRO CD C 13 50.7 0.3 . 1 . . . . . 11 PRO CD . 19972 1 78 . 1 1 11 11 PRO N N 15 136.4 0.3 . 1 . . . . . 11 PRO N . 19972 1 79 . 1 1 12 12 VAL H H 1 8.13 0.02 . 1 . . . . . 12 VAL H . 19972 1 80 . 1 1 12 12 VAL HA H 1 3.96 0.02 . 1 . . . . . 12 VAL HA . 19972 1 81 . 1 1 12 12 VAL HB H 1 1.86 0.02 . 1 . . . . . 12 VAL HB . 19972 1 82 . 1 1 12 12 VAL HG11 H 1 0.88 0.02 . 1 . . . . . 12 VAL HG1 . 19972 1 83 . 1 1 12 12 VAL HG12 H 1 0.88 0.02 . 1 . . . . . 12 VAL HG1 . 19972 1 84 . 1 1 12 12 VAL HG13 H 1 0.88 0.02 . 1 . . . . . 12 VAL HG1 . 19972 1 85 . 1 1 12 12 VAL HG21 H 1 0.76 0.02 . 1 . . . . . 12 VAL HG2 . 19972 1 86 . 1 1 12 12 VAL HG22 H 1 0.76 0.02 . 1 . . . . . 12 VAL HG2 . 19972 1 87 . 1 1 12 12 VAL HG23 H 1 0.76 0.02 . 1 . . . . . 12 VAL HG2 . 19972 1 88 . 1 1 12 12 VAL C C 13 176.1 0.3 . 1 . . . . . 12 VAL C . 19972 1 89 . 1 1 12 12 VAL CA C 13 62.9 0.3 . 1 . . . . . 12 VAL CA . 19972 1 90 . 1 1 12 12 VAL CB C 13 32.1 0.3 . 1 . . . . . 12 VAL CB . 19972 1 91 . 1 1 12 12 VAL CG1 C 13 20.7 0.3 . 1 . . . . . 12 VAL CG1 . 19972 1 92 . 1 1 12 12 VAL CG2 C 13 20.7 0.3 . 1 . . . . . 12 VAL CG2 . 19972 1 93 . 1 1 12 12 VAL N N 15 120.4 0.3 . 1 . . . . . 12 VAL N . 19972 1 94 . 1 1 13 13 VAL H H 1 7.96 0.02 . 1 . . . . . 13 VAL H . 19972 1 95 . 1 1 13 13 VAL HA H 1 3.96 0.02 . 1 . . . . . 13 VAL HA . 19972 1 96 . 1 1 13 13 VAL HB H 1 1.95 0.02 . 1 . . . . . 13 VAL HB . 19972 1 97 . 1 1 13 13 VAL HG11 H 1 0.80 0.02 . 1 . . . . . 13 VAL HG1 . 19972 1 98 . 1 1 13 13 VAL HG12 H 1 0.80 0.02 . 1 . . . . . 13 VAL HG1 . 19972 1 99 . 1 1 13 13 VAL HG13 H 1 0.80 0.02 . 1 . . . . . 13 VAL HG1 . 19972 1 100 . 1 1 13 13 VAL HG21 H 1 0.69 0.02 . 1 . . . . . 13 VAL HG2 . 19972 1 101 . 1 1 13 13 VAL HG22 H 1 0.69 0.02 . 1 . . . . . 13 VAL HG2 . 19972 1 102 . 1 1 13 13 VAL HG23 H 1 0.69 0.02 . 1 . . . . . 13 VAL HG2 . 19972 1 103 . 1 1 13 13 VAL C C 13 175.6 0.3 . 1 . . . . . 13 VAL C . 19972 1 104 . 1 1 13 13 VAL CA C 13 62.3 0.3 . 1 . . . . . 13 VAL CA . 19972 1 105 . 1 1 13 13 VAL CB C 13 32.4 0.3 . 1 . . . . . 13 VAL CB . 19972 1 106 . 1 1 13 13 VAL CG1 C 13 20.7 0.3 . 1 . . . . . 13 VAL CG1 . 19972 1 107 . 1 1 13 13 VAL CG2 C 13 20.7 0.3 . 1 . . . . . 13 VAL CG2 . 19972 1 108 . 1 1 13 13 VAL N N 15 123.5 0.3 . 1 . . . . . 13 VAL N . 19972 1 109 . 1 1 14 14 HIS H H 1 8.25 0.02 . 1 . . . . . 14 HIS H . 19972 1 110 . 1 1 14 14 HIS HA H 1 4.53 0.02 . 1 . . . . . 14 HIS HA . 19972 1 111 . 1 1 14 14 HIS HB2 H 1 2.00 0.02 . 2 . . . . . 14 HIS HB2 . 19972 1 112 . 1 1 14 14 HIS HB3 H 1 1.89 0.02 . 2 . . . . . 14 HIS HB3 . 19972 1 113 . 1 1 14 14 HIS C C 13 174.4 0.3 . 1 . . . . . 14 HIS C . 19972 1 114 . 1 1 14 14 HIS CA C 13 55.5 0.3 . 1 . . . . . 14 HIS CA . 19972 1 115 . 1 1 14 14 HIS CB C 13 30.2 0.3 . 1 . . . . . 14 HIS CB . 19972 1 116 . 1 1 14 14 HIS N N 15 122.6 0.3 . 1 . . . . . 14 HIS N . 19972 1 117 . 1 1 15 15 PHE H H 1 8.11 0.02 . 1 . . . . . 15 PHE H . 19972 1 118 . 1 1 15 15 PHE HA H 1 4.51 0.02 . 1 . . . . . 15 PHE HA . 19972 1 119 . 1 1 15 15 PHE HB2 H 1 3.02 0.02 . 2 . . . . . 15 PHE HB2 . 19972 1 120 . 1 1 15 15 PHE HB3 H 1 2.93 0.02 . 2 . . . . . 15 PHE HB3 . 19972 1 121 . 1 1 15 15 PHE C C 13 175.2 0.3 . 1 . . . . . 15 PHE C . 19972 1 122 . 1 1 15 15 PHE CA C 13 57.7 0.3 . 1 . . . . . 15 PHE CA . 19972 1 123 . 1 1 15 15 PHE CB C 13 39.6 0.3 . 1 . . . . . 15 PHE CB . 19972 1 124 . 1 1 15 15 PHE N N 15 121.6 0.3 . 1 . . . . . 15 PHE N . 19972 1 125 . 1 1 16 16 PHE H H 1 8.17 0.02 . 1 . . . . . 16 PHE H . 19972 1 126 . 1 1 16 16 PHE HA H 1 4.50 0.02 . 1 . . . . . 16 PHE HA . 19972 1 127 . 1 1 16 16 PHE HB2 H 1 2.87 0.02 . 1 . . . . . 16 PHE HB2 . 19972 1 128 . 1 1 16 16 PHE HB3 H 1 2.87 0.02 . 1 . . . . . 16 PHE HB3 . 19972 1 129 . 1 1 16 16 PHE C C 13 175.2 0.3 . 1 . . . . . 16 PHE C . 19972 1 130 . 1 1 16 16 PHE CA C 13 57.7 0.3 . 1 . . . . . 16 PHE CA . 19972 1 131 . 1 1 16 16 PHE CB C 13 39.5 0.3 . 1 . . . . . 16 PHE CB . 19972 1 132 . 1 1 16 16 PHE N N 15 121.6 0.3 . 1 . . . . . 16 PHE N . 19972 1 133 . 1 1 17 17 LYS H H 1 8.06 0.02 . 1 . . . . . 17 LYS H . 19972 1 134 . 1 1 17 17 LYS HA H 1 4.16 0.02 . 1 . . . . . 17 LYS HA . 19972 1 135 . 1 1 17 17 LYS HB2 H 1 1.71 0.02 . 2 . . . . . 17 LYS HB2 . 19972 1 136 . 1 1 17 17 LYS HB3 H 1 1.62 0.02 . 2 . . . . . 17 LYS HB3 . 19972 1 137 . 1 1 17 17 LYS HG2 H 1 1.28 0.02 . 2 . . . . . 17 LYS HG2 . 19972 1 138 . 1 1 17 17 LYS HG3 H 1 1.28 0.02 . 2 . . . . . 17 LYS HG3 . 19972 1 139 . 1 1 17 17 LYS HD2 H 1 1.60 0.02 . 2 . . . . . 17 LYS HD2 . 19972 1 140 . 1 1 17 17 LYS HD3 H 1 1.61 0.02 . 2 . . . . . 17 LYS HD3 . 19972 1 141 . 1 1 17 17 LYS HE2 H 1 2.93 0.02 . 2 . . . . . 17 LYS HE2 . 19972 1 142 . 1 1 17 17 LYS HE3 H 1 2.90 0.02 . 2 . . . . . 17 LYS HE3 . 19972 1 143 . 1 1 17 17 LYS C C 13 175.7 0.3 . 1 . . . . . 17 LYS C . 19972 1 144 . 1 1 17 17 LYS CA C 13 56.3 0.3 . 1 . . . . . 17 LYS CA . 19972 1 145 . 1 1 17 17 LYS CB C 13 32.9 0.3 . 1 . . . . . 17 LYS CB . 19972 1 146 . 1 1 17 17 LYS CG C 13 24.5 0.3 . 1 . . . . . 17 LYS CG . 19972 1 147 . 1 1 17 17 LYS CD C 13 28.9 0.3 . 1 . . . . . 17 LYS CD . 19972 1 148 . 1 1 17 17 LYS CE C 13 42.0 0.3 . 1 . . . . . 17 LYS CE . 19972 1 149 . 1 1 17 17 LYS N N 15 122.5 0.3 . 1 . . . . . 17 LYS N . 19972 1 150 . 1 1 18 18 ASN H H 1 8.28 0.02 . 1 . . . . . 18 ASN H . 19972 1 151 . 1 1 18 18 ASN HA H 1 4.62 0.02 . 1 . . . . . 18 ASN HA . 19972 1 152 . 1 1 18 18 ASN HB2 H 1 2.76 0.02 . 2 . . . . . 18 ASN HB2 . 19972 1 153 . 1 1 18 18 ASN HB3 H 1 2.65 0.02 . 2 . . . . . 18 ASN HB3 . 19972 1 154 . 1 1 18 18 ASN C C 13 174.7 0.3 . 1 . . . . . 18 ASN C . 19972 1 155 . 1 1 18 18 ASN CA C 13 53.2 0.3 . 1 . . . . . 18 ASN CA . 19972 1 156 . 1 1 18 18 ASN CB C 13 38.6 0.3 . 1 . . . . . 18 ASN CB . 19972 1 157 . 1 1 18 18 ASN N N 15 119.4 0.3 . 1 . . . . . 18 ASN N . 19972 1 158 . 1 1 19 19 ILE H H 1 7.98 0.02 . 1 . . . . . 19 ILE H . 19972 1 159 . 1 1 19 19 ILE HA H 1 4.15 0.02 . 1 . . . . . 19 ILE HA . 19972 1 160 . 1 1 19 19 ILE HB H 1 1.77 0.02 . 1 . . . . . 19 ILE HB . 19972 1 161 . 1 1 19 19 ILE HG12 H 1 1.33 0.02 . 2 . . . . . 19 ILE HG12 . 19972 1 162 . 1 1 19 19 ILE HG13 H 1 1.05 0.02 . 2 . . . . . 19 ILE HG13 . 19972 1 163 . 1 1 19 19 ILE HG21 H 1 0.77 0.02 . 1 . . . . . 19 ILE HG2 . 19972 1 164 . 1 1 19 19 ILE HG22 H 1 0.77 0.02 . 1 . . . . . 19 ILE HG2 . 19972 1 165 . 1 1 19 19 ILE HG23 H 1 0.77 0.02 . 1 . . . . . 19 ILE HG2 . 19972 1 166 . 1 1 19 19 ILE HD11 H 1 0.73 0.02 . 1 . . . . . 19 ILE HD1 . 19972 1 167 . 1 1 19 19 ILE HD12 H 1 0.73 0.02 . 1 . . . . . 19 ILE HD1 . 19972 1 168 . 1 1 19 19 ILE HD13 H 1 0.73 0.02 . 1 . . . . . 19 ILE HD1 . 19972 1 169 . 1 1 19 19 ILE C C 13 176.0 0.3 . 1 . . . . . 19 ILE C . 19972 1 170 . 1 1 19 19 ILE CA C 13 60.9 0.3 . 1 . . . . . 19 ILE CA . 19972 1 171 . 1 1 19 19 ILE CB C 13 38.6 0.3 . 1 . . . . . 19 ILE CB . 19972 1 172 . 1 1 19 19 ILE CG1 C 13 27.0 0.3 . 1 . . . . . 19 ILE CG1 . 19972 1 173 . 1 1 19 19 ILE CG2 C 13 17.2 0.3 . 1 . . . . . 19 ILE CG2 . 19972 1 174 . 1 1 19 19 ILE CD1 C 13 12.7 0.3 . 1 . . . . . 19 ILE CD1 . 19972 1 175 . 1 1 19 19 ILE N N 15 121.2 0.3 . 1 . . . . . 19 ILE N . 19972 1 176 . 1 1 20 20 VAL H H 1 8.18 0.02 . 1 . . . . . 20 VAL H . 19972 1 177 . 1 1 20 20 VAL HA H 1 4.14 0.02 . 1 . . . . . 20 VAL HA . 19972 1 178 . 1 1 20 20 VAL HB H 1 1.97 0.02 . 1 . . . . . 20 VAL HB . 19972 1 179 . 1 1 20 20 VAL HG11 H 1 0.85 0.02 . 1 . . . . . 20 VAL HG1 . 19972 1 180 . 1 1 20 20 VAL HG12 H 1 0.85 0.02 . 1 . . . . . 20 VAL HG1 . 19972 1 181 . 1 1 20 20 VAL HG13 H 1 0.85 0.02 . 1 . . . . . 20 VAL HG1 . 19972 1 182 . 1 1 20 20 VAL HG21 H 1 0.84 0.02 . 1 . . . . . 20 VAL HG2 . 19972 1 183 . 1 1 20 20 VAL HG22 H 1 0.84 0.02 . 1 . . . . . 20 VAL HG2 . 19972 1 184 . 1 1 20 20 VAL HG23 H 1 0.84 0.02 . 1 . . . . . 20 VAL HG2 . 19972 1 185 . 1 1 20 20 VAL C C 13 176.0 0.3 . 1 . . . . . 20 VAL C . 19972 1 186 . 1 1 20 20 VAL CA C 13 62.0 0.3 . 1 . . . . . 20 VAL CA . 19972 1 187 . 1 1 20 20 VAL CB C 13 32.6 0.3 . 1 . . . . . 20 VAL CB . 19972 1 188 . 1 1 20 20 VAL CG1 C 13 20.6 0.3 . 1 . . . . . 20 VAL CG1 . 19972 1 189 . 1 1 20 20 VAL CG2 C 13 20.6 0.3 . 1 . . . . . 20 VAL CG2 . 19972 1 190 . 1 1 20 20 VAL N N 15 124.9 0.3 . 1 . . . . . 20 VAL N . 19972 1 191 . 1 1 21 21 THR H H 1 8.23 0.02 . 1 . . . . . 21 THR H . 19972 1 192 . 1 1 21 21 THR HA H 1 4.50 0.02 . 1 . . . . . 21 THR HA . 19972 1 193 . 1 1 21 21 THR HB H 1 4.08 0.02 . 1 . . . . . 21 THR HB . 19972 1 194 . 1 1 21 21 THR HG21 H 1 1.16 0.02 . 1 . . . . . 21 THR HG2 . 19972 1 195 . 1 1 21 21 THR HG22 H 1 1.16 0.02 . 1 . . . . . 21 THR HG2 . 19972 1 196 . 1 1 21 21 THR HG23 H 1 1.16 0.02 . 1 . . . . . 21 THR HG2 . 19972 1 197 . 1 1 21 21 THR C C 13 172.6 0.3 . 1 . . . . . 21 THR C . 19972 1 198 . 1 1 21 21 THR CA C 13 59.7 0.3 . 1 . . . . . 21 THR CA . 19972 1 199 . 1 1 21 21 THR CB C 13 69.5 0.3 . 1 . . . . . 21 THR CB . 19972 1 200 . 1 1 21 21 THR CG2 C 13 21.3 0.3 . 1 . . . . . 21 THR CG2 . 19972 1 201 . 1 1 21 21 THR N N 15 121.1 0.3 . 1 . . . . . 21 THR N . 19972 1 202 . 1 1 22 22 PRO HA H 1 4.38 0.02 . 1 . . . . . 22 PRO HA . 19972 1 203 . 1 1 22 22 PRO C C 13 176.7 0.3 . 1 . . . . . 22 PRO C . 19972 1 204 . 1 1 22 22 PRO CA C 13 63.0 0.3 . 1 . . . . . 22 PRO CA . 19972 1 205 . 1 1 22 22 PRO CB C 13 31.9 0.3 . 1 . . . . . 22 PRO CB . 19972 1 206 . 1 1 22 22 PRO CG C 13 27.1 0.3 . 1 . . . . . 22 PRO CG . 19972 1 207 . 1 1 22 22 PRO CD C 13 50.7 0.3 . 1 . . . . . 22 PRO CD . 19972 1 208 . 1 1 22 22 PRO N N 15 138.3 0.3 . 1 . . . . . 22 PRO N . 19972 1 209 . 1 1 23 23 ARG H H 1 8.44 0.02 . 1 . . . . . 23 ARG H . 19972 1 210 . 1 1 23 23 ARG HA H 1 4.31 0.02 . 1 . . . . . 23 ARG HA . 19972 1 211 . 1 1 23 23 ARG C C 13 176.5 0.3 . 1 . . . . . 23 ARG C . 19972 1 212 . 1 1 23 23 ARG CA C 13 56.0 0.3 . 1 . . . . . 23 ARG CA . 19972 1 213 . 1 1 23 23 ARG CB C 13 30.7 0.3 . 1 . . . . . 23 ARG CB . 19972 1 214 . 1 1 23 23 ARG N N 15 121.5 0.3 . 1 . . . . . 23 ARG N . 19972 1 215 . 1 1 24 24 THR H H 1 8.16 0.02 . 1 . . . . . 24 THR H . 19972 1 216 . 1 1 24 24 THR HA H 1 4.49 0.02 . 1 . . . . . 24 THR HA . 19972 1 217 . 1 1 24 24 THR C C 13 172.2 0.3 . 1 . . . . . 24 THR C . 19972 1 218 . 1 1 24 24 THR CA C 13 59.6 0.3 . 1 . . . . . 24 THR CA . 19972 1 219 . 1 1 24 24 THR CB C 13 69.4 0.3 . 1 . . . . . 24 THR CB . 19972 1 220 . 1 1 24 24 THR CG2 C 13 21.3 0.3 . 1 . . . . . 24 THR CG2 . 19972 1 221 . 1 1 24 24 THR N N 15 117.4 0.3 . 1 . . . . . 24 THR N . 19972 1 222 . 1 1 25 25 PRO HA H 1 4.62 0.02 . 1 . . . . . 25 PRO HA . 19972 1 223 . 1 1 25 25 PRO CA C 13 61.4 0.3 . 1 . . . . . 25 PRO CA . 19972 1 224 . 1 1 25 25 PRO CB C 13 30.4 0.3 . 1 . . . . . 25 PRO CB . 19972 1 225 . 1 1 25 25 PRO CG C 13 27.3 0.3 . 1 . . . . . 25 PRO CG . 19972 1 226 . 1 1 25 25 PRO N N 15 139.5 0.3 . 1 . . . . . 25 PRO N . 19972 1 227 . 1 1 26 26 PRO HA H 1 4.42 0.02 . 1 . . . . . 26 PRO HA . 19972 1 228 . 1 1 26 26 PRO CA C 13 61.2 0.3 . 1 . . . . . 26 PRO CA . 19972 1 229 . 1 1 26 26 PRO CB C 13 30.2 0.3 . 1 . . . . . 26 PRO CB . 19972 1 230 . 1 1 26 26 PRO CG C 13 27.1 0.3 . 1 . . . . . 26 PRO CG . 19972 1 231 . 1 1 26 26 PRO N N 15 136.3 0.3 . 1 . . . . . 26 PRO N . 19972 1 232 . 1 1 27 27 PRO HA H 1 4.36 0.02 . 1 . . . . . 27 PRO HA . 19972 1 233 . 1 1 27 27 PRO C C 13 176.8 0.3 . 1 . . . . . 27 PRO C . 19972 1 234 . 1 1 27 27 PRO CA C 13 62.9 0.3 . 1 . . . . . 27 PRO CA . 19972 1 235 . 1 1 27 27 PRO CB C 13 31.9 0.3 . 1 . . . . . 27 PRO CB . 19972 1 236 . 1 1 27 27 PRO CG C 13 27.2 0.3 . 1 . . . . . 27 PRO CG . 19972 1 237 . 1 1 27 27 PRO CD C 13 50.7 0.3 . 1 . . . . . 27 PRO CD . 19972 1 238 . 1 1 27 27 PRO N N 15 135.2 0.3 . 1 . . . . . 27 PRO N . 19972 1 239 . 1 1 28 28 SER H H 1 8.26 0.02 . 1 . . . . . 28 SER H . 19972 1 240 . 1 1 28 28 SER HA H 1 4.38 0.02 . 1 . . . . . 28 SER HA . 19972 1 241 . 1 1 28 28 SER HB2 H 1 3.79 0.02 . 1 . . . . . 28 SER HB2 . 19972 1 242 . 1 1 28 28 SER HB3 H 1 3.79 0.02 . 1 . . . . . 28 SER HB3 . 19972 1 243 . 1 1 28 28 SER C C 13 174.9 0.3 . 1 . . . . . 28 SER C . 19972 1 244 . 1 1 28 28 SER CA C 13 58.2 0.3 . 1 . . . . . 28 SER CA . 19972 1 245 . 1 1 28 28 SER CB C 13 63.8 0.3 . 1 . . . . . 28 SER CB . 19972 1 246 . 1 1 28 28 SER N N 15 115.4 0.3 . 1 . . . . . 28 SER N . 19972 1 247 . 1 1 29 29 GLN H H 1 8.44 0.02 . 1 . . . . . 29 GLN H . 19972 1 248 . 1 1 29 29 GLN HA H 1 4.34 0.02 . 1 . . . . . 29 GLN HA . 19972 1 249 . 1 1 29 29 GLN C C 13 176.5 0.3 . 1 . . . . . 29 GLN C . 19972 1 250 . 1 1 29 29 GLN CA C 13 56.0 0.3 . 1 . . . . . 29 GLN CA . 19972 1 251 . 1 1 29 29 GLN CB C 13 29.3 0.3 . 1 . . . . . 29 GLN CB . 19972 1 252 . 1 1 29 29 GLN CG C 13 33.5 0.3 . 1 . . . . . 29 GLN CG . 19972 1 253 . 1 1 29 29 GLN N N 15 122.2 0.3 . 1 . . . . . 29 GLN N . 19972 1 254 . 1 1 30 30 GLY H H 1 8.41 0.02 . 1 . . . . . 30 GLY H . 19972 1 255 . 1 1 30 30 GLY HA2 H 1 3.93 0.02 . 2 . . . . . 30 GLY HA2 . 19972 1 256 . 1 1 30 30 GLY HA3 H 1 3.95 0.02 . 2 . . . . . 30 GLY HA3 . 19972 1 257 . 1 1 30 30 GLY C C 13 174.1 0.3 . 1 . . . . . 30 GLY C . 19972 1 258 . 1 1 30 30 GLY CA C 13 45.3 0.3 . 1 . . . . . 30 GLY CA . 19972 1 259 . 1 1 30 30 GLY N N 15 109.8 0.3 . 1 . . . . . 30 GLY N . 19972 1 260 . 1 1 31 31 LYS H H 1 8.25 0.02 . 1 . . . . . 31 LYS H . 19972 1 261 . 1 1 31 31 LYS HA H 1 4.28 0.02 . 1 . . . . . 31 LYS HA . 19972 1 262 . 1 1 31 31 LYS C C 13 177.1 0.3 . 1 . . . . . 31 LYS C . 19972 1 263 . 1 1 31 31 LYS CA C 13 56.3 0.3 . 1 . . . . . 31 LYS CA . 19972 1 264 . 1 1 31 31 LYS CB C 13 32.8 0.3 . 1 . . . . . 31 LYS CB . 19972 1 265 . 1 1 31 31 LYS CE C 13 42.9 0.3 . 1 . . . . . 31 LYS CE . 19972 1 266 . 1 1 31 31 LYS N N 15 120.7 0.3 . 1 . . . . . 31 LYS N . 19972 1 267 . 1 1 32 32 GLY H H 1 8.48 0.02 . 1 . . . . . 32 GLY H . 19972 1 268 . 1 1 32 32 GLY HA2 H 1 3.93 0.02 . 2 . . . . . 32 GLY HA2 . 19972 1 269 . 1 1 32 32 GLY HA3 H 1 3.95 0.02 . 2 . . . . . 32 GLY HA3 . 19972 1 270 . 1 1 32 32 GLY C C 13 174.1 0.3 . 1 . . . . . 32 GLY C . 19972 1 271 . 1 1 32 32 GLY CA C 13 45.2 0.3 . 1 . . . . . 32 GLY CA . 19972 1 272 . 1 1 32 32 GLY N N 15 110.0 0.3 . 1 . . . . . 32 GLY N . 19972 1 273 . 1 1 33 33 ARG H H 1 8.31 0.02 . 1 . . . . . 33 ARG H . 19972 1 274 . 1 1 33 33 ARG HA H 1 4.33 0.02 . 1 . . . . . 33 ARG HA . 19972 1 275 . 1 1 33 33 ARG C C 13 176.9 0.3 . 1 . . . . . 33 ARG C . 19972 1 276 . 1 1 33 33 ARG CA C 13 56.1 0.3 . 1 . . . . . 33 ARG CA . 19972 1 277 . 1 1 33 33 ARG CB C 13 30.6 0.3 . 1 . . . . . 33 ARG CB . 19972 1 278 . 1 1 33 33 ARG N N 15 120.9 0.3 . 1 . . . . . 33 ARG N . 19972 1 279 . 1 1 34 34 GLY H H 1 8.50 0.02 . 1 . . . . . 34 GLY H . 19972 1 280 . 1 1 34 34 GLY HA2 H 1 3.94 0.02 . 2 . . . . . 34 GLY HA2 . 19972 1 281 . 1 1 34 34 GLY HA3 H 1 3.95 0.02 . 2 . . . . . 34 GLY HA3 . 19972 1 282 . 1 1 34 34 GLY C C 13 174.0 0.3 . 1 . . . . . 34 GLY C . 19972 1 283 . 1 1 34 34 GLY CA C 13 45.3 0.3 . 1 . . . . . 34 GLY CA . 19972 1 284 . 1 1 34 34 GLY N N 15 110.2 0.3 . 1 . . . . . 34 GLY N . 19972 1 285 . 1 1 35 35 LEU H H 1 8.13 0.02 . 1 . . . . . 35 LEU H . 19972 1 286 . 1 1 35 35 LEU HA H 1 4.40 0.02 . 1 . . . . . 35 LEU HA . 19972 1 287 . 1 1 35 35 LEU HB2 H 1 1.60 0.02 . 1 . . . . . 35 LEU HB2 . 19972 1 288 . 1 1 35 35 LEU HB3 H 1 1.60 0.02 . 1 . . . . . 35 LEU HB3 . 19972 1 289 . 1 1 35 35 LEU HG H 1 1.57 0.02 . 1 . . . . . 35 LEU HG . 19972 1 290 . 1 1 35 35 LEU HD11 H 1 0.83 0.02 . 1 . . . . . 35 LEU HD1 . 19972 1 291 . 1 1 35 35 LEU HD12 H 1 0.83 0.02 . 1 . . . . . 35 LEU HD1 . 19972 1 292 . 1 1 35 35 LEU HD13 H 1 0.83 0.02 . 1 . . . . . 35 LEU HD1 . 19972 1 293 . 1 1 35 35 LEU HD21 H 1 0.87 0.02 . 1 . . . . . 35 LEU HD2 . 19972 1 294 . 1 1 35 35 LEU HD22 H 1 0.87 0.02 . 1 . . . . . 35 LEU HD2 . 19972 1 295 . 1 1 35 35 LEU HD23 H 1 0.87 0.02 . 1 . . . . . 35 LEU HD2 . 19972 1 296 . 1 1 35 35 LEU C C 13 176.7 0.3 . 1 . . . . . 35 LEU C . 19972 1 297 . 1 1 35 35 LEU CA C 13 55.1 0.3 . 1 . . . . . 35 LEU CA . 19972 1 298 . 1 1 35 35 LEU CB C 13 42.4 0.3 . 1 . . . . . 35 LEU CB . 19972 1 299 . 1 1 35 35 LEU CG C 13 26.8 0.3 . 1 . . . . . 35 LEU CG . 19972 1 300 . 1 1 35 35 LEU CD1 C 13 23.2 0.3 . 1 . . . . . 35 LEU CD1 . 19972 1 301 . 1 1 35 35 LEU CD2 C 13 24.7 0.3 . 1 . . . . . 35 LEU CD2 . 19972 1 302 . 1 1 35 35 LEU N N 15 121.9 0.3 . 1 . . . . . 35 LEU N . 19972 1 303 . 1 1 36 36 SER H H 1 7.90 0.02 . 1 . . . . . 36 SER H . 19972 1 304 . 1 1 36 36 SER HA H 1 4.24 0.02 . 1 . . . . . 36 SER HA . 19972 1 305 . 1 1 36 36 SER HB2 H 1 3.82 0.02 . 1 . . . . . 36 SER HB2 . 19972 1 306 . 1 1 36 36 SER HB3 H 1 3.82 0.02 . 1 . . . . . 36 SER HB3 . 19972 1 307 . 1 1 36 36 SER C C 13 178.6 0.3 . 1 . . . . . 36 SER C . 19972 1 308 . 1 1 36 36 SER CA C 13 59.9 0.3 . 1 . . . . . 36 SER CA . 19972 1 309 . 1 1 36 36 SER CB C 13 64.8 0.3 . 1 . . . . . 36 SER CB . 19972 1 310 . 1 1 36 36 SER N N 15 121.6 0.3 . 1 . . . . . 36 SER N . 19972 1 stop_ save_