data_15453 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15453 _Entry.Title ; FBP28WW2 domain in complex with the PPLIPPPP peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-09-01 _Entry.Accession_date 2007-09-01 _Entry.Last_release_date 2008-06-25 _Entry.Original_release_date 2008-06-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.109 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ximena Ramirez-Espain . . . 15453 2 Lidia Ruiz . . . 15453 3 Pau Martin-Malpartida . . . 15453 4 Hartmut Oschkinat . . . 15453 5 Maria Macias . J. . 15453 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 15453 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'FBP28WW domain' . 15453 NMR . 15453 'PPLIPPPP peptide' . 15453 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15453 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 281 15453 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 . . 2008-06-25 2007-09-01 original author . 15453 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JUP 'BMRB Entry Tracking System' 15453 stop_ save_ ############### # Citations # ############### save_FBP28WW2-PPLIPPPP_complex _Citation.Sf_category citations _Citation.Sf_framecode FBP28WW2-PPLIPPPP_complex _Citation.Entry_ID 15453 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17915251 _Citation.Full_citation . _Citation.Title 'Structural characterization of a new binding motif and a novel binding mode in group 2 WW domains' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 373 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1255 _Citation.Page_last 1268 _Citation.Year 2007 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ximena Ramirez-Espain . . . 15453 1 2 Lidia Ruiz . . . 15453 1 3 Pau Martin-Malpartida . . . 15453 1 4 Hartmut Oschkinat . . . 15453 1 5 Maria Macias . J. . 15453 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15453 _Assembly.ID 1 _Assembly.Name FBP28WW2-PPLIPPPP _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 FBP28WW2 1 $FBP28WW2 A . yes native no no . . . 15453 1 2 ligand 2 $ligand A . yes native no no . . . 15453 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FBP28WW2 _Entity.Sf_category entity _Entity.Sf_framecode FBP28WW2 _Entity.Entry_ID 15453 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FBP28WW2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID W _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GATAVSEWTEYKTADGKTYY YNNRTLESTWEKPQELK ; _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 37 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5237.882 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 11007 . FBP28WW2 . . . . . 100.00 37 100.00 100.00 1.60e-16 . . . . 15453 1 2 no BMRB 11008 . FBP28WW2 . . . . . 100.00 37 100.00 100.00 1.60e-16 . . . . 15453 1 3 no BMRB 25309 . entity . . . . . 100.00 37 97.30 97.30 1.75e-15 . . . . 15453 1 4 no BMRB 25310 . entity . . . . . 100.00 37 97.30 97.30 1.22e-15 . . . . 15453 1 5 no BMRB 25311 . entity . . . . . 100.00 37 97.30 100.00 8.99e-16 . . . . 15453 1 6 no BMRB 25678 . entity . . . . . 100.00 37 97.30 97.30 2.56e-15 . . . . 15453 1 7 no BMRB 25679 . entity . . . . . 100.00 37 97.30 97.30 2.58e-15 . . . . 15453 1 8 no BMRB 25680 . entity . . . . . 100.00 37 97.30 97.30 2.50e-15 . . . . 15453 1 9 no BMRB 25681 . entity . . . . . 100.00 37 97.30 97.30 2.15e-15 . . . . 15453 1 10 no BMRB 25682 . entity . . . . . 100.00 37 97.30 97.30 9.48e-16 . . . . 15453 1 11 no BMRB 25683 . entity . . . . . 100.00 37 97.30 97.30 1.77e-15 . . . . 15453 1 12 no BMRB 4714 . "Formin binding WW domain" . . . . . 100.00 40 100.00 100.00 1.23e-16 . . . . 15453 1 13 no PDB 1E0L . "Fbp28ww Domain From Mus Musculus" . . . . . 100.00 37 100.00 100.00 1.60e-16 . . . . 15453 1 14 no PDB 2JUP . "Fbp28ww2 Domain In Complex With The Pplipppp Peptide" . . . . . 100.00 37 100.00 100.00 1.60e-16 . . . . 15453 1 15 no PDB 2MW9 . "Nmr Structure Of Fbp28 Ww2 Y438r Mutant" . . . . . 100.00 37 97.30 97.30 1.75e-15 . . . . 15453 1 16 no PDB 2MWA . "Nmr Structure Of Fbp28 Ww2 Mutant Y446l" . . . . . 100.00 37 97.30 97.30 1.22e-15 . . . . 15453 1 17 no PDB 2MWB . "Fbp28 Ww2 Mutant W457f" . . . . . 100.00 37 97.30 100.00 8.99e-16 . . . . 15453 1 18 no PDB 2N4R . "Nmr Structure Of Fbp28 Ww Domain L453d Mutant" . . . . . 100.00 37 97.30 97.30 2.56e-15 . . . . 15453 1 19 no PDB 2N4S . "Nmr Structure Of Fbp28 Ww Domain L453e Mutant" . . . . . 100.00 37 97.30 97.30 2.58e-15 . . . . 15453 1 20 no PDB 2N4T . "Nmr Structure Of Fbp28 Ww Domain L453w Mutant" . . . . . 100.00 37 97.30 97.30 2.50e-15 . . . . 15453 1 21 no PDB 2N4U . "Nmr Structure Of Fbp28 Ww Domain E454y Mutant" . . . . . 100.00 37 97.30 97.30 2.15e-15 . . . . 15453 1 22 no PDB 2N4V . "Nmr Structure Of Fbp28 Ww Domain T456d Mutant" . . . . . 100.00 37 97.30 97.30 9.48e-16 . . . . 15453 1 23 no PDB 2N4W . "Nmr Structure Of Fbp28 Ww Domain T456y Mutant" . . . . . 100.00 37 97.30 97.30 1.77e-15 . . . . 15453 1 24 no PDB 2NNT . "General Structural Motifs Of Amyloid Protofilaments" . . . . . 100.00 40 97.30 100.00 2.29e-16 . . . . 15453 1 25 no PDB 2RLY . "Fbp28ww2 Domain In Complex With Ptppplpp Peptide" . . . . . 100.00 37 100.00 100.00 1.60e-16 . . . . 15453 1 26 no PDB 2RM0 . "Fbp28ww2 Domain In Complex With A Ppplipppp Peptide" . . . . . 100.00 37 100.00 100.00 1.60e-16 . . . . 15453 1 27 no GB AAC52477 . "FBP 28, partial [Mus musculus]" . . . . . 70.27 26 100.00 100.00 1.19e-08 . . . . 15453 1 28 no GB EGW05321 . "Transcription elongation regulator 1 [Cricetulus griseus]" . . . . . 100.00 414 100.00 100.00 2.53e-16 . . . . 15453 1 29 no GB EHB12574 . "Transcription elongation regulator 1-like protein [Heterocephalus glaber]" . . . . . 100.00 967 100.00 100.00 7.15e-16 . . . . 15453 1 30 no GB ELW66441 . "Transcription elongation regulator 1, partial [Tupaia chinensis]" . . . . . 100.00 1001 100.00 100.00 5.25e-16 . . . . 15453 1 31 no GB EMP40899 . "Transcription elongation regulator 1 [Chelonia mydas]" . . . . . 100.00 945 97.30 100.00 1.52e-15 . . . . 15453 1 32 no REF XP_004697122 . "PREDICTED: transcription elongation regulator 1 [Echinops telfairi]" . . . . . 100.00 1004 100.00 100.00 6.32e-16 . . . . 15453 1 33 no REF XP_006977759 . "PREDICTED: transcription elongation regulator 1 [Peromyscus maniculatus bairdii]" . . . . . 100.00 1057 100.00 100.00 5.05e-16 . . . . 15453 1 34 no REF XP_007653449 . "PREDICTED: uncharacterized protein LOC100076344 [Ornithorhynchus anatinus]" . . . . . 100.00 774 100.00 100.00 9.13e-16 . . . . 15453 1 35 no REF XP_008253407 . "PREDICTED: transcription elongation regulator 1 isoform X9 [Oryctolagus cuniculus]" . . . . . 100.00 770 100.00 100.00 9.92e-16 . . . . 15453 1 36 no REF XP_008926141 . "PREDICTED: transcription elongation regulator 1 [Manacus vitellinus]" . . . . . 100.00 814 100.00 100.00 6.32e-16 . . . . 15453 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 15453 1 2 . ALA . 15453 1 3 . THR . 15453 1 4 . ALA . 15453 1 5 . VAL . 15453 1 6 . SER . 15453 1 7 . GLU . 15453 1 8 . TRP . 15453 1 9 . THR . 15453 1 10 . GLU . 15453 1 11 . TYR . 15453 1 12 . LYS . 15453 1 13 . THR . 15453 1 14 . ALA . 15453 1 15 . ASP . 15453 1 16 . GLY . 15453 1 17 . LYS . 15453 1 18 . THR . 15453 1 19 . TYR . 15453 1 20 . TYR . 15453 1 21 . TYR . 15453 1 22 . ASN . 15453 1 23 . ASN . 15453 1 24 . ARG . 15453 1 25 . THR . 15453 1 26 . LEU . 15453 1 27 . GLU . 15453 1 28 . SER . 15453 1 29 . THR . 15453 1 30 . TRP . 15453 1 31 . GLU . 15453 1 32 . LYS . 15453 1 33 . PRO . 15453 1 34 . GLN . 15453 1 35 . GLU . 15453 1 36 . LEU . 15453 1 37 . LYS . 15453 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 15453 1 . ALA 2 2 15453 1 . THR 3 3 15453 1 . ALA 4 4 15453 1 . VAL 5 5 15453 1 . SER 6 6 15453 1 . GLU 7 7 15453 1 . TRP 8 8 15453 1 . THR 9 9 15453 1 . GLU 10 10 15453 1 . TYR 11 11 15453 1 . LYS 12 12 15453 1 . THR 13 13 15453 1 . ALA 14 14 15453 1 . ASP 15 15 15453 1 . GLY 16 16 15453 1 . LYS 17 17 15453 1 . THR 18 18 15453 1 . TYR 19 19 15453 1 . TYR 20 20 15453 1 . TYR 21 21 15453 1 . ASN 22 22 15453 1 . ASN 23 23 15453 1 . ARG 24 24 15453 1 . THR 25 25 15453 1 . LEU 26 26 15453 1 . GLU 27 27 15453 1 . SER 28 28 15453 1 . THR 29 29 15453 1 . TRP 30 30 15453 1 . GLU 31 31 15453 1 . LYS 32 32 15453 1 . PRO 33 33 15453 1 . GLN 34 34 15453 1 . GLU 35 35 15453 1 . LEU 36 36 15453 1 . LYS 37 37 15453 1 stop_ save_ save_ligand _Entity.Sf_category entity _Entity.Sf_framecode ligand _Entity.Entry_ID 15453 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ligand _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID P _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code GPPLIPPPP _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 9 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5237.882 _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 . GLY . 15453 2 2 . PRO . 15453 2 3 . PRO . 15453 2 4 . LEU . 15453 2 5 . ILE . 15453 2 6 . PRO . 15453 2 7 . PRO . 15453 2 8 . PRO . 15453 2 9 . PRO . 15453 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 15453 2 . PRO 2 2 15453 2 . PRO 3 3 15453 2 . LEU 4 4 15453 2 . ILE 5 5 15453 2 . PRO 6 6 15453 2 . PRO 7 7 15453 2 . PRO 8 8 15453 2 . PRO 9 9 15453 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 15453 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $FBP28WW2 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 15453 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 15453 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $FBP28WW2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . petm30 . . . . . . 15453 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15453 _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 FBP28WW2 'natural abundance' . . 1 $FBP28WW2 . . 1 . . mM . . . . 15453 1 2 ligand 'natural abundance' . . 2 $ligand . . 1 . . mM . . . . 15453 1 3 'sodium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 15453 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15453 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15453 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 FBP28WW2 'natural abundance' . . 1 $FBP28WW2 . . 1 . . mM . . . . 15453 2 2 ligand 'natural abundance' . . 2 $ligand . . 1 . . mM . . . . 15453 2 3 'sodium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 15453 2 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15453 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15453 _Sample.ID 3 _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 FBP28WW2 '[U-100% 15N]' . . 1 $FBP28WW2 . . 1 . . mM . . . . 15453 3 2 ligand '[U-100% 15N]' . . 2 $ligand . . 1 . . mM . . . . 15453 3 3 'sodium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 15453 3 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 15453 3 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 15453 _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' 0.100 . M 15453 1 pH 5.8 . pH 15453 1 pressure 1 . atm 15453 1 temperature 285 . K 15453 1 stop_ save_ ############################ # Computer software used # ############################ save_UXNMR _Software.Sf_category software _Software.Sf_framecode UXNMR _Software.Entry_ID 15453 _Software.ID 1 _Software.Name UXNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15453 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15453 1 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 15453 _Software.ID 2 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 15453 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15453 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 15453 _Software.ID 3 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15453 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15453 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15453 _Software.ID 4 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15453 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15453 4 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 15453 _Software.ID 5 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 15453 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data validation' 15453 5 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 15453 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15453 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15453 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 15453 1 2 spectrometer_2 Bruker DRX . 800 . . . 15453 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 15453 _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 . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15453 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15453 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15453 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15453 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15453 1 6 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15453 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 15453 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.75 internal indirect 1 . . . 1 $FBP28WW2-PPLIPPPP_complex . . 1 $FBP28WW2-PPLIPPPP_complex 15453 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15453 _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' . . . 15453 1 2 '3D 1H-15N NOESY' . . . 15453 1 3 '2D 1H-1H NOESY' . . . 15453 1 4 '2D 1H-1H TOCSY' . . . 15453 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $UXNMR . . 15453 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY H H 1 8.288 0.001 . 1 . . . . 1 G HN . 15453 1 2 . 1 1 1 1 GLY HA2 H 1 3.721 0.001 . 2 . . . . 1 G HA1 . 15453 1 3 . 1 1 2 2 ALA H H 1 8.088 0.001 . 1 . . . . 2 A HN . 15453 1 4 . 1 1 2 2 ALA HA H 1 4.148 0.001 . 1 . . . . 2 A HA . 15453 1 5 . 1 1 2 2 ALA HB1 H 1 1.175 0.001 . 1 . . . . 2 A QB . 15453 1 6 . 1 1 2 2 ALA HB2 H 1 1.175 0.001 . 1 . . . . 2 A QB . 15453 1 7 . 1 1 2 2 ALA HB3 H 1 1.175 0.001 . 1 . . . . 2 A QB . 15453 1 8 . 1 1 3 3 THR H H 1 8.038 0.001 . 1 . . . . 3 T HN . 15453 1 9 . 1 1 3 3 THR HA H 1 4.078 0.001 . 1 . . . . 3 T HA . 15453 1 10 . 1 1 3 3 THR HB H 1 3.981 0.001 . 1 . . . . 3 T HB . 15453 1 11 . 1 1 3 3 THR HG21 H 1 0.993 0.001 . 1 . . . . 3 T QG2 . 15453 1 12 . 1 1 3 3 THR HG22 H 1 0.993 0.001 . 1 . . . . 3 T QG2 . 15453 1 13 . 1 1 3 3 THR HG23 H 1 0.993 0.001 . 1 . . . . 3 T QG2 . 15453 1 14 . 1 1 4 4 ALA H H 1 8.165 0.001 . 1 . . . . 4 A HN . 15453 1 15 . 1 1 4 4 ALA HA H 1 4.121 0.001 . 1 . . . . 4 A HA . 15453 1 16 . 1 1 4 4 ALA HB1 H 1 1.163 0.001 . 1 . . . . 4 A QB . 15453 1 17 . 1 1 4 4 ALA HB2 H 1 1.163 0.001 . 1 . . . . 4 A QB . 15453 1 18 . 1 1 4 4 ALA HB3 H 1 1.163 0.001 . 1 . . . . 4 A QB . 15453 1 19 . 1 1 5 5 VAL H H 1 8.028 0.001 . 1 . . . . 5 V HN . 15453 1 20 . 1 1 5 5 VAL HA H 1 3.879 0.001 . 1 . . . . 5 V HA . 15453 1 21 . 1 1 5 5 VAL HB H 1 1.845 0.001 . 1 . . . . 5 V HB . 15453 1 22 . 1 1 5 5 VAL HG11 H 1 0.719 0.001 . 1 . . . . 5 V QG1 . 15453 1 23 . 1 1 5 5 VAL HG12 H 1 0.719 0.001 . 1 . . . . 5 V QG1 . 15453 1 24 . 1 1 5 5 VAL HG13 H 1 0.719 0.001 . 1 . . . . 5 V QG1 . 15453 1 25 . 1 1 6 6 SER H H 1 8.233 0.001 . 1 . . . . 6 S HN . 15453 1 26 . 1 1 6 6 SER HA H 1 4.283 0.002 . 1 . . . . 6 S HA . 15453 1 27 . 1 1 6 6 SER HB2 H 1 3.789 0.001 . 1 . . . . 6 S HB2 . 15453 1 28 . 1 1 6 6 SER HB3 H 1 3.688 0.001 . 1 . . . . 6 S HB3 . 15453 1 29 . 1 1 7 7 GLU H H 1 8.640 0.001 . 1 . . . . 7 E HN . 15453 1 30 . 1 1 7 7 GLU HA H 1 3.985 0.001 . 1 . . . . 7 E HA . 15453 1 31 . 1 1 7 7 GLU HB2 H 1 1.675 0.001 . 1 . . . . 7 E HB2 . 15453 1 32 . 1 1 7 7 GLU HB3 H 1 1.610 0.001 . 1 . . . . 7 E HB3 . 15453 1 33 . 1 1 7 7 GLU HG2 H 1 1.806 0.001 . 2 . . . . 7 E HG2 . 15453 1 34 . 1 1 8 8 TRP H H 1 8.032 0.001 . 1 . . . . 8 W HN . 15453 1 35 . 1 1 8 8 TRP HA H 1 5.172 0.001 . 1 . . . . 8 W HA . 15453 1 36 . 1 1 8 8 TRP HB2 H 1 2.886 0.001 . 1 . . . . 8 W HB2 . 15453 1 37 . 1 1 8 8 TRP HB3 H 1 2.730 0.001 . 1 . . . . 8 W HB3 . 15453 1 38 . 1 1 8 8 TRP HD1 H 1 7.000 0.001 . 1 . . . . 8 W HD1 . 15453 1 39 . 1 1 8 8 TRP HE1 H 1 10.066 0.001 . 1 . . . . 8 W HE1 . 15453 1 40 . 1 1 8 8 TRP HE3 H 1 7.146 0.002 . 1 . . . . 8 W HE3 . 15453 1 41 . 1 1 8 8 TRP HH2 H 1 6.925 0.001 . 1 . . . . 8 W HH2 . 15453 1 42 . 1 1 8 8 TRP HZ2 H 1 7.306 0.002 . 1 . . . . 8 W HZ2 . 15453 1 43 . 1 1 8 8 TRP HZ3 H 1 6.754 0.001 . 1 . . . . 8 W HZ3 . 15453 1 44 . 1 1 9 9 THR H H 1 9.212 0.001 . 1 . . . . 9 T HN . 15453 1 45 . 1 1 9 9 THR HA H 1 4.318 0.001 . 1 . . . . 9 T HA . 15453 1 46 . 1 1 9 9 THR HB H 1 3.691 0.001 . 1 . . . . 9 T HB . 15453 1 47 . 1 1 9 9 THR HG21 H 1 0.687 0.001 . 1 . . . . 9 T QG2 . 15453 1 48 . 1 1 9 9 THR HG22 H 1 0.687 0.001 . 1 . . . . 9 T QG2 . 15453 1 49 . 1 1 9 9 THR HG23 H 1 0.687 0.001 . 1 . . . . 9 T QG2 . 15453 1 50 . 1 1 10 10 GLU H H 1 8.278 0.001 . 1 . . . . 10 E HN . 15453 1 51 . 1 1 10 10 GLU HA H 1 4.267 0.001 . 1 . . . . 10 E HA . 15453 1 52 . 1 1 10 10 GLU HB2 H 1 1.573 0.001 . 1 . . . . 10 E HB2 . 15453 1 53 . 1 1 10 10 GLU HG2 H 1 1.646 0.002 . 1 . . . . 10 E HG2 . 15453 1 54 . 1 1 11 11 TYR H H 1 8.373 0.003 . 1 . . . . 11 Y HN . 15453 1 55 . 1 1 11 11 TYR HA H 1 4.235 0.001 . 1 . . . . 11 Y HA . 15453 1 56 . 1 1 11 11 TYR HB2 H 1 2.236 0.001 . 1 . . . . 11 Y HB2 . 15453 1 57 . 1 1 11 11 TYR HB3 H 1 0.696 0.001 . 1 . . . . 11 Y HB3 . 15453 1 58 . 1 1 11 11 TYR HD1 H 1 6.571 0.001 . 3 . . . . 11 Y QD . 15453 1 59 . 1 1 11 11 TYR HD2 H 1 6.571 0.001 . 3 . . . . 11 Y QD . 15453 1 60 . 1 1 11 11 TYR HE1 H 1 6.398 0.001 . 3 . . . . 11 Y QE . 15453 1 61 . 1 1 11 11 TYR HE2 H 1 6.398 0.001 . 3 . . . . 11 Y QE . 15453 1 62 . 1 1 12 12 LYS H H 1 7.908 0.001 . 1 . . . . 12 K HN . 15453 1 63 . 1 1 12 12 LYS HA H 1 5.299 0.001 . 1 . . . . 12 K HA . 15453 1 64 . 1 1 12 12 LYS HB2 H 1 1.473 0.001 . 1 . . . . 12 K HB2 . 15453 1 65 . 1 1 12 12 LYS HB3 H 1 1.399 0.001 . 1 . . . . 12 K HB3 . 15453 1 66 . 1 1 12 12 LYS HD2 H 1 2.647 0.001 . 1 . . . . 12 K HD2 . 15453 1 67 . 1 1 12 12 LYS HG2 H 1 1.135 0.005 . 1 . . . . 12 K HG2 . 15453 1 68 . 1 1 13 13 THR H H 1 9.118 0.001 . 1 . . . . 13 T HN . 15453 1 69 . 1 1 13 13 THR HA H 1 4.650 0.001 . 1 . . . . 13 T HA . 15453 1 70 . 1 1 13 13 THR HB H 1 4.456 0.001 . 1 . . . . 13 T HB . 15453 1 71 . 1 1 13 13 THR HG21 H 1 1.392 0.001 . 1 . . . . 13 T QG2 . 15453 1 72 . 1 1 13 13 THR HG22 H 1 1.392 0.001 . 1 . . . . 13 T QG2 . 15453 1 73 . 1 1 13 13 THR HG23 H 1 1.392 0.001 . 1 . . . . 13 T QG2 . 15453 1 74 . 1 1 14 14 ALA H H 1 9.109 0.001 . 1 . . . . 14 A HN . 15453 1 75 . 1 1 14 14 ALA HA H 1 3.971 0.001 . 1 . . . . 14 A HA . 15453 1 76 . 1 1 14 14 ALA HB1 H 1 1.284 0.001 . 1 . . . . 14 A QB . 15453 1 77 . 1 1 14 14 ALA HB2 H 1 1.284 0.001 . 1 . . . . 14 A QB . 15453 1 78 . 1 1 14 14 ALA HB3 H 1 1.284 0.001 . 1 . . . . 14 A QB . 15453 1 79 . 1 1 15 15 ASP H H 1 7.883 0.001 . 1 . . . . 15 D HN . 15453 1 80 . 1 1 15 15 ASP HA H 1 4.470 0.001 . 1 . . . . 15 D HA . 15453 1 81 . 1 1 15 15 ASP HB2 H 1 2.638 0.001 . 1 . . . . 15 D HB2 . 15453 1 82 . 1 1 15 15 ASP HB3 H 1 2.443 0.001 . 1 . . . . 15 D HB3 . 15453 1 83 . 1 1 16 16 GLY H H 1 7.802 0.003 . 1 . . . . 16 G HN . 15453 1 84 . 1 1 16 16 GLY HA2 H 1 3.975 0.001 . 1 . . . . 16 G HA1 . 15453 1 85 . 1 1 16 16 GLY HA3 H 1 3.416 0.001 . 1 . . . . 16 G HA2 . 15453 1 86 . 1 1 17 17 LYS H H 1 7.782 0.001 . 1 . . . . 17 K HN . 15453 1 87 . 1 1 17 17 LYS HA H 1 4.350 0.001 . 1 . . . . 17 K HA . 15453 1 88 . 1 1 17 17 LYS HB2 H 1 1.795 0.001 . 1 . . . . 17 K HB2 . 15453 1 89 . 1 1 17 17 LYS HB3 H 1 1.737 0.003 . 1 . . . . 17 K HB3 . 15453 1 90 . 1 1 17 17 LYS HD2 H 1 2.454 0.001 . 1 . . . . 17 K HD2 . 15453 1 91 . 1 1 17 17 LYS HG2 H 1 1.096 0.001 . 1 . . . . 17 K HG2 . 15453 1 92 . 1 1 17 17 LYS HG3 H 1 1.094 0.001 . 1 . . . . 17 K HG3 . 15453 1 93 . 1 1 18 18 THR H H 1 8.588 0.001 . 1 . . . . 18 T HN . 15453 1 94 . 1 1 18 18 THR HA H 1 4.844 0.001 . 1 . . . . 18 T HA . 15453 1 95 . 1 1 18 18 THR HB H 1 3.741 0.001 . 1 . . . . 18 T HB . 15453 1 96 . 1 1 18 18 THR HG21 H 1 0.705 0.001 . 1 . . . . 18 T QG2 . 15453 1 97 . 1 1 18 18 THR HG22 H 1 0.705 0.001 . 1 . . . . 18 T QG2 . 15453 1 98 . 1 1 18 18 THR HG23 H 1 0.705 0.001 . 1 . . . . 18 T QG2 . 15453 1 99 . 1 1 19 19 TYR H H 1 8.674 0.001 . 1 . . . . 19 Y HN . 15453 1 100 . 1 1 19 19 TYR HA H 1 4.643 0.001 . 1 . . . . 19 Y HA . 15453 1 101 . 1 1 19 19 TYR HB2 H 1 2.426 0.001 . 1 . . . . 19 Y HB2 . 15453 1 102 . 1 1 19 19 TYR HB3 H 1 2.114 0.001 . 1 . . . . 19 Y HB3 . 15453 1 103 . 1 1 19 19 TYR HD1 H 1 6.587 0.004 . 3 . . . . 19 Y QD . 15453 1 104 . 1 1 19 19 TYR HD2 H 1 6.587 0.004 . 3 . . . . 19 Y QD . 15453 1 105 . 1 1 19 19 TYR HE1 H 1 5.991 0.001 . 3 . . . . 19 Y QE . 15453 1 106 . 1 1 19 19 TYR HE2 H 1 5.991 0.001 . 3 . . . . 19 Y QE . 15453 1 107 . 1 1 20 20 TYR H H 1 8.758 0.001 . 1 . . . . 20 Y HN . 15453 1 108 . 1 1 20 20 TYR HA H 1 5.045 0.001 . 1 . . . . 20 Y HA . 15453 1 109 . 1 1 20 20 TYR HB2 H 1 2.556 0.001 . 1 . . . . 20 Y HB2 . 15453 1 110 . 1 1 20 20 TYR HB3 H 1 2.474 0.002 . 1 . . . . 20 Y HB3 . 15453 1 111 . 1 1 20 20 TYR HD1 H 1 6.521 0.015 . 3 . . . . 20 Y QD . 15453 1 112 . 1 1 20 20 TYR HD2 H 1 6.521 0.015 . 3 . . . . 20 Y QD . 15453 1 113 . 1 1 20 20 TYR HE1 H 1 6.473 0.010 . 3 . . . . 20 Y QE . 15453 1 114 . 1 1 20 20 TYR HE2 H 1 6.473 0.010 . 3 . . . . 20 Y QE . 15453 1 115 . 1 1 21 21 TYR H H 1 9.216 0.001 . 1 . . . . 21 Y HN . 15453 1 116 . 1 1 21 21 TYR HA H 1 5.546 0.004 . 1 . . . . 21 Y HA . 15453 1 117 . 1 1 21 21 TYR HB2 H 1 2.742 0.001 . 1 . . . . 21 Y HB2 . 15453 1 118 . 1 1 21 21 TYR HB3 H 1 2.664 0.001 . 1 . . . . 21 Y HB3 . 15453 1 119 . 1 1 21 21 TYR HD1 H 1 6.793 0.002 . 3 . . . . 21 Y QD . 15453 1 120 . 1 1 21 21 TYR HD2 H 1 6.793 0.002 . 3 . . . . 21 Y QD . 15453 1 121 . 1 1 21 21 TYR HE1 H 1 6.395 0.001 . 3 . . . . 21 Y QE . 15453 1 122 . 1 1 21 21 TYR HE2 H 1 6.395 0.001 . 3 . . . . 21 Y QE . 15453 1 123 . 1 1 22 22 ASN H H 1 7.972 0.001 . 1 . . . . 22 N HN . 15453 1 124 . 1 1 22 22 ASN HA H 1 4.145 0.001 . 1 . . . . 22 N HA . 15453 1 125 . 1 1 22 22 ASN HB2 H 1 2.162 0.001 . 1 . . . . 22 N HB2 . 15453 1 126 . 1 1 22 22 ASN HB3 H 1 -0.065 0.001 . 1 . . . . 22 N HB3 . 15453 1 127 . 1 1 23 23 ASN H H 1 8.270 0.004 . 1 . . . . 23 N HN . 15453 1 128 . 1 1 23 23 ASN HA H 1 3.915 0.001 . 1 . . . . 23 N HA . 15453 1 129 . 1 1 23 23 ASN HB2 H 1 2.604 0.001 . 1 . . . . 23 N HB2 . 15453 1 130 . 1 1 23 23 ASN HB3 H 1 2.505 0.002 . 1 . . . . 23 N HB3 . 15453 1 131 . 1 1 23 23 ASN HD21 H 1 7.160 0.001 . 1 . . . . 23 N HD21 . 15453 1 132 . 1 1 23 23 ASN HD22 H 1 6.927 0.001 . 1 . . . . 23 N HD22 . 15453 1 133 . 1 1 24 24 ARG H H 1 8.398 0.001 . 1 . . . . 24 R HN . 15453 1 134 . 1 1 24 24 ARG HA H 1 4.087 0.001 . 1 . . . . 24 R HA . 15453 1 135 . 1 1 24 24 ARG HB2 H 1 1.695 0.001 . 1 . . . . 24 R HB2 . 15453 1 136 . 1 1 24 24 ARG HB3 H 1 1.418 0.001 . 1 . . . . 24 R HB3 . 15453 1 137 . 1 1 24 24 ARG HD2 H 1 3.028 0.001 . 1 . . . . 24 R HD2 . 15453 1 138 . 1 1 24 24 ARG HD3 H 1 2.799 0.001 . 1 . . . . 24 R HD3 . 15453 1 139 . 1 1 24 24 ARG HE H 1 7.748 0.001 . 1 . . . . 24 R HE . 15453 1 140 . 1 1 24 24 ARG HG2 H 1 1.250 0.001 . 1 . . . . 24 R HG2 . 15453 1 141 . 1 1 24 24 ARG HG3 H 1 1.067 0.001 . 1 . . . . 24 R HG3 . 15453 1 142 . 1 1 25 25 THR H H 1 7.750 0.001 . 1 . . . . 25 T HN . 15453 1 143 . 1 1 25 25 THR HA H 1 3.760 0.001 . 1 . . . . 25 T HA . 15453 1 144 . 1 1 25 25 THR HB H 1 3.983 0.001 . 1 . . . . 25 T HB . 15453 1 145 . 1 1 25 25 THR HG21 H 1 0.717 0.001 . 1 . . . . 25 T QG2 . 15453 1 146 . 1 1 25 25 THR HG22 H 1 0.717 0.001 . 1 . . . . 25 T QG2 . 15453 1 147 . 1 1 25 25 THR HG23 H 1 0.717 0.001 . 1 . . . . 25 T QG2 . 15453 1 148 . 1 1 26 26 LEU H H 1 7.615 0.001 . 1 . . . . 26 L HN . 15453 1 149 . 1 1 26 26 LEU HA H 1 3.568 0.001 . 1 . . . . 26 L HA . 15453 1 150 . 1 1 26 26 LEU HB2 H 1 1.877 0.005 . 1 . . . . 26 L HB2 . 15453 1 151 . 1 1 26 26 LEU HB3 H 1 1.472 0.001 . 1 . . . . 26 L HB3 . 15453 1 152 . 1 1 26 26 LEU HD11 H 1 0.629 0.001 . 1 . . . . 26 L QD1 . 15453 1 153 . 1 1 26 26 LEU HD12 H 1 0.629 0.001 . 1 . . . . 26 L QD1 . 15453 1 154 . 1 1 26 26 LEU HD13 H 1 0.629 0.001 . 1 . . . . 26 L QD1 . 15453 1 155 . 1 1 26 26 LEU HD21 H 1 0.539 0.001 . 1 . . . . 26 L QD2 . 15453 1 156 . 1 1 26 26 LEU HD22 H 1 0.539 0.001 . 1 . . . . 26 L QD2 . 15453 1 157 . 1 1 26 26 LEU HD23 H 1 0.539 0.001 . 1 . . . . 26 L QD2 . 15453 1 158 . 1 1 26 26 LEU HG H 1 1.060 0.001 . 1 . . . . 26 L HG . 15453 1 159 . 1 1 27 27 GLU H H 1 6.910 0.001 . 1 . . . . 27 E HN . 15453 1 160 . 1 1 27 27 GLU HA H 1 4.092 0.001 . 1 . . . . 27 E HA . 15453 1 161 . 1 1 27 27 GLU HB2 H 1 1.638 0.001 . 1 . . . . 27 E HB2 . 15453 1 162 . 1 1 27 27 GLU HB3 H 1 1.543 0.001 . 1 . . . . 27 E HB3 . 15453 1 163 . 1 1 27 27 GLU HG2 H 1 2.045 0.001 . 1 . . . . 27 E HG2 . 15453 1 164 . 1 1 27 27 GLU HG3 H 1 1.906 0.001 . 1 . . . . 27 E HG3 . 15453 1 165 . 1 1 28 28 SER H H 1 8.217 0.001 . 1 . . . . 28 S HN . 15453 1 166 . 1 1 28 28 SER HA H 1 5.814 0.001 . 1 . . . . 28 S HA . 15453 1 167 . 1 1 28 28 SER HB2 H 1 3.454 0.001 . 1 . . . . 28 S HB2 . 15453 1 168 . 1 1 29 29 THR H H 1 9.306 0.001 . 1 . . . . 29 T HN . 15453 1 169 . 1 1 29 29 THR HA H 1 4.623 0.001 . 1 . . . . 29 T HA . 15453 1 170 . 1 1 29 29 THR HB H 1 4.083 0.002 . 1 . . . . 29 T HB . 15453 1 171 . 1 1 29 29 THR HG21 H 1 1.094 0.001 . 1 . . . . 29 T QG2 . 15453 1 172 . 1 1 29 29 THR HG22 H 1 1.094 0.001 . 1 . . . . 29 T QG2 . 15453 1 173 . 1 1 29 29 THR HG23 H 1 1.094 0.001 . 1 . . . . 29 T QG2 . 15453 1 174 . 1 1 30 30 TRP H H 1 8.521 0.001 . 1 . . . . 30 W HN . 15453 1 175 . 1 1 30 30 TRP HA H 1 4.923 0.001 . 1 . . . . 30 W HA . 15453 1 176 . 1 1 30 30 TRP HB2 H 1 3.451 0.001 . 1 . . . . 30 W HB2 . 15453 1 177 . 1 1 30 30 TRP HB3 H 1 2.976 0.001 . 1 . . . . 30 W HB3 . 15453 1 178 . 1 1 30 30 TRP HD1 H 1 7.153 0.002 . 1 . . . . 30 W HD1 . 15453 1 179 . 1 1 30 30 TRP HE1 H 1 9.917 0.001 . 1 . . . . 30 W HE1 . 15453 1 180 . 1 1 30 30 TRP HE3 H 1 8.028 0.001 . 1 . . . . 30 W HE3 . 15453 1 181 . 1 1 30 30 TRP HH2 H 1 6.893 0.001 . 1 . . . . 30 W HH2 . 15453 1 182 . 1 1 30 30 TRP HZ2 H 1 7.161 0.001 . 1 . . . . 30 W HZ2 . 15453 1 183 . 1 1 30 30 TRP HZ3 H 1 6.656 0.001 . 1 . . . . 30 W HZ3 . 15453 1 184 . 1 1 31 31 GLU H H 1 8.148 0.001 . 1 . . . . 31 E HN . 15453 1 185 . 1 1 31 31 GLU HA H 1 4.119 0.001 . 1 . . . . 31 E HA . 15453 1 186 . 1 1 31 31 GLU HB2 H 1 1.588 0.001 . 1 . . . . 31 E HB2 . 15453 1 187 . 1 1 31 31 GLU HB3 H 1 1.485 0.001 . 1 . . . . 31 E HB3 . 15453 1 188 . 1 1 31 31 GLU HG2 H 1 1.939 0.001 . 1 . . . . 31 E HG2 . 15453 1 189 . 1 1 32 32 LYS H H 1 8.184 0.001 . 1 . . . . 32 K HN . 15453 1 190 . 1 1 32 32 LYS HA H 1 2.474 0.001 . 1 . . . . 32 K HA . 15453 1 191 . 1 1 32 32 LYS HB2 H 1 1.132 0.001 . 1 . . . . 32 K HB2 . 15453 1 192 . 1 1 32 32 LYS HB3 H 1 0.787 0.001 . 1 . . . . 32 K HB3 . 15453 1 193 . 1 1 32 32 LYS HD2 H 1 8.497 0.001 . 1 . . . . 32 K HD2 . 15453 1 194 . 1 1 32 32 LYS HG2 H 1 0.329 0.001 . 1 . . . . 32 K HG2 . 15453 1 195 . 1 1 32 32 LYS HZ1 H 1 2.411 0.001 . 1 . . . . 32 K QZ . 15453 1 196 . 1 1 32 32 LYS HZ2 H 1 2.411 0.001 . 1 . . . . 32 K QZ . 15453 1 197 . 1 1 32 32 LYS HZ3 H 1 2.411 0.001 . 1 . . . . 32 K QZ . 15453 1 198 . 1 1 33 33 PRO HA H 1 3.705 0.001 . 1 . . . . 33 P HA . 15453 1 199 . 1 1 33 33 PRO HB2 H 1 1.077 0.001 . 1 . . . . 33 P HB2 . 15453 1 200 . 1 1 33 33 PRO HB3 H 1 0.858 0.002 . 1 . . . . 33 P HB3 . 15453 1 201 . 1 1 33 33 PRO HD2 H 1 2.388 0.003 . 1 . . . . 33 P HD2 . 15453 1 202 . 1 1 33 33 PRO HD3 H 1 1.930 0.005 . 1 . . . . 33 P HD3 . 15453 1 203 . 1 1 33 33 PRO HG2 H 1 0.034 0.001 . 1 . . . . 33 P HG2 . 15453 1 204 . 1 1 33 33 PRO HG3 H 1 -0.175 0.001 . 1 . . . . 33 P HG3 . 15453 1 205 . 1 1 34 34 GLN H H 1 8.350 0.001 . 1 . . . . 34 Q HN . 15453 1 206 . 1 1 34 34 GLN HA H 1 3.556 0.001 . 1 . . . . 34 Q HA . 15453 1 207 . 1 1 34 34 GLN HB2 H 1 1.789 0.001 . 1 . . . . 34 Q HB2 . 15453 1 208 . 1 1 34 34 GLN HB3 H 1 1.712 0.013 . 1 . . . . 34 Q HB3 . 15453 1 209 . 1 1 34 34 GLN HE21 H 1 7.397 0.001 . 1 . . . . 34 Q HE21 . 15453 1 210 . 1 1 34 34 GLN HE22 H 1 6.704 0.001 . 1 . . . . 34 Q HE22 . 15453 1 211 . 1 1 34 34 GLN HG2 H 1 2.124 0.001 . 1 . . . . 34 Q HG2 . 15453 1 212 . 1 1 35 35 GLU H H 1 8.866 0.001 . 1 . . . . 35 E HN . 15453 1 213 . 1 1 35 35 GLU HA H 1 3.907 0.001 . 1 . . . . 35 E HA . 15453 1 214 . 1 1 35 35 GLU HB2 H 1 1.820 0.005 . 1 . . . . 35 E HB2 . 15453 1 215 . 1 1 35 35 GLU HB3 H 1 1.810 0.001 . 1 . . . . 35 E HB3 . 15453 1 216 . 1 1 35 35 GLU HG2 H 1 2.090 0.001 . 1 . . . . 35 E HG2 . 15453 1 217 . 1 1 36 36 LEU H H 1 7.341 0.001 . 1 . . . . 36 L HN . 15453 1 218 . 1 1 36 36 LEU HA H 1 4.192 0.001 . 1 . . . . 36 L HA . 15453 1 219 . 1 1 36 36 LEU HB2 H 1 1.125 0.001 . 1 . . . . 36 L HB2 . 15453 1 220 . 1 1 36 36 LEU HB3 H 1 1.052 0.037 . 1 . . . . 36 L HB3 . 15453 1 221 . 1 1 36 36 LEU HD11 H 1 0.643 0.002 . 1 . . . . 36 L QD1 . 15453 1 222 . 1 1 36 36 LEU HD12 H 1 0.643 0.002 . 1 . . . . 36 L QD1 . 15453 1 223 . 1 1 36 36 LEU HD13 H 1 0.643 0.002 . 1 . . . . 36 L QD1 . 15453 1 224 . 1 1 36 36 LEU HD21 H 1 0.559 0.001 . 1 . . . . 36 L QD2 . 15453 1 225 . 1 1 36 36 LEU HD22 H 1 0.559 0.001 . 1 . . . . 36 L QD2 . 15453 1 226 . 1 1 36 36 LEU HD23 H 1 0.559 0.001 . 1 . . . . 36 L QD2 . 15453 1 227 . 1 1 36 36 LEU HG H 1 1.373 0.001 . 1 . . . . 36 L HG . 15453 1 228 . 1 1 37 37 LYS H H 1 7.427 0.001 . 1 . . . . 37 K HN . 15453 1 229 . 1 1 37 37 LYS HA H 1 3.736 0.001 . 1 . . . . 37 K HA . 15453 1 230 . 1 1 37 37 LYS HB2 H 1 1.580 0.001 . 1 . . . . 37 K HB2 . 15453 1 231 . 1 1 37 37 LYS HB3 H 1 1.475 0.001 . 1 . . . . 37 K HB3 . 15453 1 232 . 1 1 37 37 LYS HG2 H 1 1.156 0.001 . 1 . . . . 37 K HG2 . 15453 1 233 . 2 2 2 2 PRO HA H 1 4.420 0.001 . 1 . . . . 2 P HA . 15453 1 234 . 2 2 2 2 PRO HG2 H 1 2.085 0.001 . 1 . . . . 2 P HG2 . 15453 1 235 . 2 2 3 3 PRO HA H 1 4.176 0.001 . 1 . . . . 3 P HA . 15453 1 236 . 2 2 3 3 PRO HB2 H 1 1.727 0.056 . 1 . . . . 3 P HB2 . 15453 1 237 . 2 2 3 3 PRO HB3 H 1 1.626 0.008 . 1 . . . . 3 P HB3 . 15453 1 238 . 2 2 3 3 PRO HD2 H 1 3.538 0.005 . 1 . . . . 3 P HD2 . 15453 1 239 . 2 2 3 3 PRO HD3 H 1 3.370 0.007 . 1 . . . . 3 P HD3 . 15453 1 240 . 2 2 3 3 PRO HG2 H 1 2.013 0.001 . 1 . . . . 3 P HG2 . 15453 1 241 . 2 2 3 3 PRO HG3 H 1 1.771 0.003 . 1 . . . . 3 P HG3 . 15453 1 242 . 2 2 4 4 LEU H H 1 8.167 0.001 . 1 . . . . 4 L HN . 15453 1 243 . 2 2 4 4 LEU HA H 1 4.042 0.004 . 1 . . . . 4 L HA . 15453 1 244 . 2 2 4 4 LEU HB2 H 1 1.361 0.004 . 1 . . . . 4 L HB2 . 15453 1 245 . 2 2 4 4 LEU HD11 H 1 0.677 0.004 . 1 . . . . 4 L QD1 . 15453 1 246 . 2 2 4 4 LEU HD12 H 1 0.677 0.004 . 1 . . . . 4 L QD1 . 15453 1 247 . 2 2 4 4 LEU HD13 H 1 0.677 0.004 . 1 . . . . 4 L QD1 . 15453 1 248 . 2 2 4 4 LEU HD21 H 1 0.616 0.001 . 1 . . . . 4 L QD2 . 15453 1 249 . 2 2 4 4 LEU HD22 H 1 0.616 0.001 . 1 . . . . 4 L QD2 . 15453 1 250 . 2 2 4 4 LEU HD23 H 1 0.616 0.001 . 1 . . . . 4 L QD2 . 15453 1 251 . 2 2 4 4 LEU HG H 1 1.299 0.002 . 1 . . . . 4 L HG . 15453 1 252 . 2 2 5 5 ILE H H 1 7.998 0.001 . 1 . . . . 5 I HN . 15453 1 253 . 2 2 5 5 ILE HA H 1 4.207 0.001 . 1 . . . . 5 I HA . 15453 1 254 . 2 2 5 5 ILE HB H 1 1.577 0.010 . 1 . . . . 5 I HB . 15453 1 255 . 2 2 5 5 ILE HD11 H 1 0.601 0.003 . 1 . . . . 5 I QD1 . 15453 1 256 . 2 2 5 5 ILE HD12 H 1 0.601 0.003 . 1 . . . . 5 I QD1 . 15453 1 257 . 2 2 5 5 ILE HD13 H 1 0.601 0.003 . 1 . . . . 5 I QD1 . 15453 1 258 . 2 2 5 5 ILE HG12 H 1 1.230 0.003 . 1 . . . . 5 I HG12 . 15453 1 259 . 2 2 5 5 ILE HG13 H 1 0.909 0.005 . 1 . . . . 5 I HG13 . 15453 1 260 . 2 2 5 5 ILE HG21 H 1 0.657 0.002 . 1 . . . . 5 I QG2 . 15453 1 261 . 2 2 5 5 ILE HG22 H 1 0.657 0.002 . 1 . . . . 5 I QG2 . 15453 1 262 . 2 2 5 5 ILE HG23 H 1 0.657 0.002 . 1 . . . . 5 I QG2 . 15453 1 263 . 2 2 6 6 PRO HA H 1 4.352 0.001 . 1 . . . . 6 P HA . 15453 1 264 . 2 2 6 6 PRO HB2 H 1 1.635 0.001 . 2 . . . . 6 P HB2 . 15453 1 265 . 2 2 6 6 PRO HD2 H 1 3.574 0.006 . 1 . . . . 6 P HD2 . 15453 1 266 . 2 2 6 6 PRO HD3 H 1 3.327 0.010 . 1 . . . . 6 P HD3 . 15453 1 267 . 2 2 6 6 PRO HG2 H 1 1.985 0.001 . 1 . . . . 6 P HG2 . 15453 1 268 . 2 2 7 7 PRO HA H 1 4.448 0.001 . 1 . . . . 7 P HA . 15453 1 269 . 2 2 7 7 PRO HB2 H 1 2.058 0.001 . 2 . . . . 7 P HB2 . 15453 1 270 . 2 2 7 7 PRO HD2 H 1 3.538 0.008 . 1 . . . . 7 P HD2 . 15453 1 271 . 2 2 7 7 PRO HD3 H 1 3.364 0.001 . 1 . . . . 7 P HD3 . 15453 1 272 . 2 2 8 8 PRO HB2 H 1 2.031 0.001 . 1 . . . . 8 P HB2 . 15453 1 273 . 2 2 8 8 PRO HD2 H 1 3.571 0.001 . 1 . . . . 8 P HD2 . 15453 1 274 . 2 2 8 8 PRO HD3 H 1 3.323 0.001 . 1 . . . . 8 P HD3 . 15453 1 275 . 2 2 8 8 PRO HG2 H 1 1.748 0.001 . 1 . . . . 8 P HG2 . 15453 1 276 . 2 2 8 8 PRO HG3 H 1 1.688 0.008 . 1 . . . . 8 P HG3 . 15453 1 277 . 2 2 9 9 PRO HA H 1 4.308 0.026 . 1 . . . . 9 P HA . 15453 1 278 . 2 2 9 9 PRO HB2 H 1 2.037 0.001 . 2 . . . . 9 P HB2 . 15453 1 279 . 2 2 9 9 PRO HD2 H 1 3.454 0.001 . 1 . . . . 9 P HD2 . 15453 1 280 . 2 2 9 9 PRO HD3 H 1 3.457 0.001 . 1 . . . . 9 P HD3 . 15453 1 281 . 2 2 9 9 PRO HG2 H 1 1.630 0.001 . 2 . . . . 9 P HG2 . 15453 1 stop_ save_