data_27041 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27041 _Entry.Title ; Backbone 1H, 13C, and 15N and partial sidechain 1H and 13C Chemical Shift ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-03-05 _Entry.Accession_date 2017-03-05 _Entry.Last_release_date 2017-03-06 _Entry.Original_release_date 2017-03-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _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.ORCID _Entry_author.Entry_ID 1 Alicia Forcada-Nadal . . . . 27041 2 Martina Palomino-Schaetzlein . . . . 27041 3 'Jose Luis' Neira . . . . 27041 4 Antonio Pineda-Lucena . . . . 27041 5 Vicente Rubio . . . . 27041 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Centro de Investigacion Principe Felipe' . 27041 2 . 'Instituto de Biomedicina de Valencia' . 27041 3 . 'Instituto de Biologia Molecular y Celular, Universidad Miguel Hernandez' . 27041 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27041 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 170 27041 '15N chemical shifts' 84 27041 '1H chemical shifts' 531 27041 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2017-08-15 2017-03-05 update BMRB 'update entry citation' 27041 1 . . 2017-06-06 2017-03-05 original author 'original release' 27041 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 27041 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28581722 _Citation.Full_citation . _Citation.Title ; The PipX protein, when not bound to its targets, has its signalling C-terminal helix in a flexed conformation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 56 _Citation.Journal_issue 25 _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 3211 _Citation.Page_last 3224 _Citation.Year 2017 _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 Alicia Forcada-Nadal . . . . 27041 1 2 Martina Palomino-Schaetzlein . . . . 27041 1 3 'Jose Luis' Neira . . . . 27041 1 4 Antonio Pineda-Lucena . . . . 27041 1 5 Vicente Rubio . . . . 27041 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27041 _Assembly.ID 1 _Assembly.Name 'PipX monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'PipX monomer' 1 $PipX A . yes native no no . . . 27041 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PipX _Entity.Sf_category entity _Entity.Sf_framecode PipX _Entity.Entry_ID 27041 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PipX _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 ; MASENYLNHPTFGLLYQICS FGDSKELFATLYAQRLFFLV AFDARGTRFEPIGRNEARML VDNRLRQLRRDASLQEYNQL QQVFKQTFL ; _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 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 27041 1 2 . ALA . 27041 1 3 . SER . 27041 1 4 . GLU . 27041 1 5 . ASN . 27041 1 6 . TYR . 27041 1 7 . LEU . 27041 1 8 . ASN . 27041 1 9 . HIS . 27041 1 10 . PRO . 27041 1 11 . THR . 27041 1 12 . PHE . 27041 1 13 . GLY . 27041 1 14 . LEU . 27041 1 15 . LEU . 27041 1 16 . TYR . 27041 1 17 . GLN . 27041 1 18 . ILE . 27041 1 19 . CYS . 27041 1 20 . SER . 27041 1 21 . PHE . 27041 1 22 . GLY . 27041 1 23 . ASP . 27041 1 24 . SER . 27041 1 25 . LYS . 27041 1 26 . GLU . 27041 1 27 . LEU . 27041 1 28 . PHE . 27041 1 29 . ALA . 27041 1 30 . THR . 27041 1 31 . LEU . 27041 1 32 . TYR . 27041 1 33 . ALA . 27041 1 34 . GLN . 27041 1 35 . ARG . 27041 1 36 . LEU . 27041 1 37 . PHE . 27041 1 38 . PHE . 27041 1 39 . LEU . 27041 1 40 . VAL . 27041 1 41 . ALA . 27041 1 42 . PHE . 27041 1 43 . ASP . 27041 1 44 . ALA . 27041 1 45 . ARG . 27041 1 46 . GLY . 27041 1 47 . THR . 27041 1 48 . ARG . 27041 1 49 . PHE . 27041 1 50 . GLU . 27041 1 51 . PRO . 27041 1 52 . ILE . 27041 1 53 . GLY . 27041 1 54 . ARG . 27041 1 55 . ASN . 27041 1 56 . GLU . 27041 1 57 . ALA . 27041 1 58 . ARG . 27041 1 59 . MET . 27041 1 60 . LEU . 27041 1 61 . VAL . 27041 1 62 . ASP . 27041 1 63 . ASN . 27041 1 64 . ARG . 27041 1 65 . LEU . 27041 1 66 . ARG . 27041 1 67 . GLN . 27041 1 68 . LEU . 27041 1 69 . ARG . 27041 1 70 . ARG . 27041 1 71 . ASP . 27041 1 72 . ALA . 27041 1 73 . SER . 27041 1 74 . LEU . 27041 1 75 . GLN . 27041 1 76 . GLU . 27041 1 77 . TYR . 27041 1 78 . ASN . 27041 1 79 . GLN . 27041 1 80 . LEU . 27041 1 81 . GLN . 27041 1 82 . GLN . 27041 1 83 . VAL . 27041 1 84 . PHE . 27041 1 85 . LYS . 27041 1 86 . GLN . 27041 1 87 . THR . 27041 1 88 . PHE . 27041 1 89 . LEU . 27041 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 . MET 1 1 27041 1 . ALA 2 2 27041 1 . SER 3 3 27041 1 . GLU 4 4 27041 1 . ASN 5 5 27041 1 . TYR 6 6 27041 1 . LEU 7 7 27041 1 . ASN 8 8 27041 1 . HIS 9 9 27041 1 . PRO 10 10 27041 1 . THR 11 11 27041 1 . PHE 12 12 27041 1 . GLY 13 13 27041 1 . LEU 14 14 27041 1 . LEU 15 15 27041 1 . TYR 16 16 27041 1 . GLN 17 17 27041 1 . ILE 18 18 27041 1 . CYS 19 19 27041 1 . SER 20 20 27041 1 . PHE 21 21 27041 1 . GLY 22 22 27041 1 . ASP 23 23 27041 1 . SER 24 24 27041 1 . LYS 25 25 27041 1 . GLU 26 26 27041 1 . LEU 27 27 27041 1 . PHE 28 28 27041 1 . ALA 29 29 27041 1 . THR 30 30 27041 1 . LEU 31 31 27041 1 . TYR 32 32 27041 1 . ALA 33 33 27041 1 . GLN 34 34 27041 1 . ARG 35 35 27041 1 . LEU 36 36 27041 1 . PHE 37 37 27041 1 . PHE 38 38 27041 1 . LEU 39 39 27041 1 . VAL 40 40 27041 1 . ALA 41 41 27041 1 . PHE 42 42 27041 1 . ASP 43 43 27041 1 . ALA 44 44 27041 1 . ARG 45 45 27041 1 . GLY 46 46 27041 1 . THR 47 47 27041 1 . ARG 48 48 27041 1 . PHE 49 49 27041 1 . GLU 50 50 27041 1 . PRO 51 51 27041 1 . ILE 52 52 27041 1 . GLY 53 53 27041 1 . ARG 54 54 27041 1 . ASN 55 55 27041 1 . GLU 56 56 27041 1 . ALA 57 57 27041 1 . ARG 58 58 27041 1 . MET 59 59 27041 1 . LEU 60 60 27041 1 . VAL 61 61 27041 1 . ASP 62 62 27041 1 . ASN 63 63 27041 1 . ARG 64 64 27041 1 . LEU 65 65 27041 1 . ARG 66 66 27041 1 . GLN 67 67 27041 1 . LEU 68 68 27041 1 . ARG 69 69 27041 1 . ARG 70 70 27041 1 . ASP 71 71 27041 1 . ALA 72 72 27041 1 . SER 73 73 27041 1 . LEU 74 74 27041 1 . GLN 75 75 27041 1 . GLU 76 76 27041 1 . TYR 77 77 27041 1 . ASN 78 78 27041 1 . GLN 79 79 27041 1 . LEU 80 80 27041 1 . GLN 81 81 27041 1 . GLN 82 82 27041 1 . VAL 83 83 27041 1 . PHE 84 84 27041 1 . LYS 85 85 27041 1 . GLN 86 86 27041 1 . THR 87 87 27041 1 . PHE 88 88 27041 1 . LEU 89 89 27041 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27041 _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 $PipX . 32046 organism . 'Synechococcus elongatus' 'Synechococcus elongatus' . . Bacteria . Synechococcus elongatus PCC7942 . . . . . . . . . . . . 27041 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 27041 _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 $PipX . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Rosetta (DE3)' . . . . . pTrc99A . . . 27041 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27041 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N labelled PipX in H2O, pH = 6' _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 PipX '[U-99% 15N]' . . 1 $PipX . . 200 . . mM . . . . 27041 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27041 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27041 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27041 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N and 13C labelled PipX in H2O, pH = 6' _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 PipX '[U-99% 13C; U-99% 15N]' . . 1 $PipX . . 200 . . mM . . . . 27041 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27041 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27041 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 27041 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N and 13C labelled PipX in D2O, pH = 6' _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 PipX '[U-99% 13C; U-99% 15N]' . . 1 $PipX . . 200 . . mM . . . . 27041 3 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27041 3 3 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27041 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 27041 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'PipX in H2O, pH = 6' _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 PipX 'natural abundance' . . 1 $PipX . . 200 . . mM . . . . 27041 4 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27041 4 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27041 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 27041 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'PipX in D2O, pH = 6' _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 PipX 'natural abundance' . . 1 $PipX . . 200 . . mM . . . . 27041 5 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27041 5 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27041 5 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 27041 _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 27041 1 pH 6 . pH 27041 1 pressure 1 . atm 27041 1 temperature 290 . K 27041 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27041 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27041 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27041 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27041 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27041 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27041 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 27041 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 27041 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 27041 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 27041 _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 27041 _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 . . . 27041 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 27041 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27041 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27041 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27041 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27041 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27041 1 6 '2D 1H-1H NOESY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27041 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27041 1 8 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27041 1 9 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27041 1 10 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27041 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27041 1 12 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27041 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27041 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 27041 _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 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27041 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 27041 _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' . . . 27041 1 2 '2D 1H-13C HSQC' . . . 27041 1 3 '2D 1H-1H TOCSY' . . . 27041 1 4 '2D 1H-1H TOCSY' . . . 27041 1 5 '2D 1H-1H NOESY' . . . 27041 1 6 '2D 1H-1H NOESY' . . . 27041 1 7 '3D CBCA(CO)NH' . . . 27041 1 8 '3D HNCO' . . . 27041 1 9 '3D HNCA' . . . 27041 1 10 '3D HNCACB' . . . 27041 1 11 '3D 1H-15N NOESY' . . . 27041 1 12 '3D 1H-15N TOCSY' . . . 27041 1 13 '3D HCCH-TOCSY' . . . 27041 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 3 3 SER CA C 13 58.40 0.01 . 1 . . . . 3 SER CA . 27041 1 2 . 1 1 3 3 SER CB C 13 63.40 0.01 . 1 . . . . 3 SER CB . 27041 1 3 . 1 1 4 4 GLU H H 1 8.08 0.01 . 1 . . . . 4 GLU H . 27041 1 4 . 1 1 4 4 GLU HA H 1 4.52 0.01 . 1 . . . . 4 GLU HA . 27041 1 5 . 1 1 4 4 GLU HB2 H 1 2.03 0.01 . 2 . . . . 4 GLU HB2 . 27041 1 6 . 1 1 4 4 GLU HB3 H 1 1.79 0.01 . 2 . . . . 4 GLU HB3 . 27041 1 7 . 1 1 4 4 GLU CA C 13 56.30 0.01 . 1 . . . . 4 GLU CA . 27041 1 8 . 1 1 4 4 GLU CB C 13 29.50 0.01 . 1 . . . . 4 GLU CB . 27041 1 9 . 1 1 4 4 GLU N N 15 121.68 0.01 . 1 . . . . 4 GLU N . 27041 1 10 . 1 1 5 5 ASN H H 1 7.94 0.01 . 1 . . . . 5 ASN H . 27041 1 11 . 1 1 5 5 ASN HA H 1 4.39 0.01 . 1 . . . . 5 ASN HA . 27041 1 12 . 1 1 5 5 ASN HB2 H 1 2.66 0.01 . 2 . . . . 5 ASN HB2 . 27041 1 13 . 1 1 5 5 ASN HB3 H 1 2.83 0.01 . 2 . . . . 5 ASN HB3 . 27041 1 14 . 1 1 5 5 ASN CA C 13 53.10 0.01 . 1 . . . . 5 ASN CA . 27041 1 15 . 1 1 5 5 ASN CB C 13 39.20 0.01 . 1 . . . . 5 ASN CB . 27041 1 16 . 1 1 5 5 ASN N N 15 118.58 0.01 . 1 . . . . 5 ASN N . 27041 1 17 . 1 1 6 6 TYR H H 1 7.83 0.01 . 1 . . . . 6 TYR H . 27041 1 18 . 1 1 6 6 TYR HA H 1 3.96 0.01 . 1 . . . . 6 TYR HA . 27041 1 19 . 1 1 6 6 TYR HB2 H 1 2.63 0.01 . 2 . . . . 6 TYR HB2 . 27041 1 20 . 1 1 6 6 TYR HB3 H 1 2.79 0.01 . 2 . . . . 6 TYR HB3 . 27041 1 21 . 1 1 6 6 TYR HD1 H 1 7.45 0.01 . 1 . . . . 6 TYR HD1 . 27041 1 22 . 1 1 6 6 TYR HE1 H 1 6.77 0.01 . 1 . . . . 6 TYR HE1 . 27041 1 23 . 1 1 6 6 TYR CA C 13 56.20 0.01 . 1 . . . . 6 TYR CA . 27041 1 24 . 1 1 6 6 TYR CB C 13 40.70 0.01 . 1 . . . . 6 TYR CB . 27041 1 25 . 1 1 6 6 TYR N N 15 118.80 0.01 . 1 . . . . 6 TYR N . 27041 1 26 . 1 1 7 7 LEU H H 1 8.48 0.01 . 1 . . . . 7 LEU H . 27041 1 27 . 1 1 7 7 LEU HA H 1 4.43 0.01 . 1 . . . . 7 LEU HA . 27041 1 28 . 1 1 7 7 LEU HB2 H 1 1.76 0.01 . 2 . . . . 7 LEU HB2 . 27041 1 29 . 1 1 7 7 LEU HB3 H 1 1.99 0.01 . 2 . . . . 7 LEU HB3 . 27041 1 30 . 1 1 7 7 LEU HG H 1 1.47 0.01 . 1 . . . . 7 LEU HG . 27041 1 31 . 1 1 7 7 LEU HD11 H 1 0.71 0.01 . 2 . . . . 7 LEU MD1 . 27041 1 32 . 1 1 7 7 LEU HD12 H 1 0.71 0.01 . 2 . . . . 7 LEU MD1 . 27041 1 33 . 1 1 7 7 LEU HD13 H 1 0.71 0.01 . 2 . . . . 7 LEU MD1 . 27041 1 34 . 1 1 7 7 LEU HD21 H 1 1.12 0.01 . 2 . . . . 7 LEU MD2 . 27041 1 35 . 1 1 7 7 LEU HD22 H 1 1.12 0.01 . 2 . . . . 7 LEU MD2 . 27041 1 36 . 1 1 7 7 LEU HD23 H 1 1.12 0.01 . 2 . . . . 7 LEU MD2 . 27041 1 37 . 1 1 7 7 LEU CA C 13 53.80 0.01 . 1 . . . . 7 LEU CA . 27041 1 38 . 1 1 7 7 LEU CB C 13 46.60 0.01 . 1 . . . . 7 LEU CB . 27041 1 39 . 1 1 7 7 LEU N N 15 121.60 0.01 . 1 . . . . 7 LEU N . 27041 1 40 . 1 1 8 8 ASN H H 1 8.70 0.01 . 1 . . . . 8 ASN H . 27041 1 41 . 1 1 8 8 ASN HB2 H 1 2.25 0.01 . 2 . . . . 8 ASN HB2 . 27041 1 42 . 1 1 8 8 ASN HB3 H 1 2.43 0.01 . 2 . . . . 8 ASN HB3 . 27041 1 43 . 1 1 8 8 ASN CA C 13 52.80 0.01 . 1 . . . . 8 ASN CA . 27041 1 44 . 1 1 8 8 ASN CB C 13 39.60 0.01 . 1 . . . . 8 ASN CB . 27041 1 45 . 1 1 8 8 ASN N N 15 121.80 0.01 . 1 . . . . 8 ASN N . 27041 1 46 . 1 1 9 9 HIS H H 1 8.67 0.01 . 1 . . . . 9 HIS H . 27041 1 47 . 1 1 9 9 HIS HB2 H 1 2.98 0.01 . 2 . . . . 9 HIS HB2 . 27041 1 48 . 1 1 9 9 HIS HB3 H 1 3.91 0.01 . 2 . . . . 9 HIS HB3 . 27041 1 49 . 1 1 9 9 HIS HD1 H 1 6.97 0.01 . 1 . . . . 9 HIS HD1 . 27041 1 50 . 1 1 9 9 HIS CA C 13 54.60 0.01 . 1 . . . . 9 HIS CA . 27041 1 51 . 1 1 9 9 HIS CB C 13 31.70 0.01 . 1 . . . . 9 HIS CB . 27041 1 52 . 1 1 9 9 HIS N N 15 129.12 0.01 . 1 . . . . 9 HIS N . 27041 1 53 . 1 1 10 10 PRO HA H 1 5.00 0.01 . 1 . . . . 10 PRO HA . 27041 1 54 . 1 1 10 10 PRO HB2 H 1 1.54 0.01 . 2 . . . . 10 PRO HB2 . 27041 1 55 . 1 1 10 10 PRO HB3 H 1 1.79 0.01 . 2 . . . . 10 PRO HB3 . 27041 1 56 . 1 1 10 10 PRO HG2 H 1 1.48 0.01 . 2 . . . . 10 PRO HG2 . 27041 1 57 . 1 1 10 10 PRO HG3 H 1 2.57 0.01 . 2 . . . . 10 PRO HG3 . 27041 1 58 . 1 1 10 10 PRO HD2 H 1 3.83 0.01 . 2 . . . . 10 PRO HD2 . 27041 1 59 . 1 1 10 10 PRO HD3 H 1 3.99 0.01 . 2 . . . . 10 PRO HD3 . 27041 1 60 . 1 1 10 10 PRO CA C 13 65.00 0.01 . 1 . . . . 10 PRO CA . 27041 1 61 . 1 1 10 10 PRO CB C 13 32.20 0.01 . 1 . . . . 10 PRO CB . 27041 1 62 . 1 1 11 11 THR H H 1 9.49 0.01 . 1 . . . . 11 THR H . 27041 1 63 . 1 1 11 11 THR HA H 1 4.03 0.01 . 1 . . . . 11 THR HA . 27041 1 64 . 1 1 11 11 THR HB H 1 3.79 0.01 . 1 . . . . 11 THR HB . 27041 1 65 . 1 1 11 11 THR HG21 H 1 0.32 0.01 . 1 . . . . 11 THR MG . 27041 1 66 . 1 1 11 11 THR HG22 H 1 0.32 0.01 . 1 . . . . 11 THR MG . 27041 1 67 . 1 1 11 11 THR HG23 H 1 0.32 0.01 . 1 . . . . 11 THR MG . 27041 1 68 . 1 1 11 11 THR CA C 13 63.70 0.01 . 1 . . . . 11 THR CA . 27041 1 69 . 1 1 11 11 THR CB C 13 69.80 0.01 . 1 . . . . 11 THR CB . 27041 1 70 . 1 1 11 11 THR N N 15 113.93 0.01 . 1 . . . . 11 THR N . 27041 1 71 . 1 1 12 12 PHE H H 1 7.81 0.01 . 1 . . . . 12 PHE H . 27041 1 72 . 1 1 12 12 PHE HA H 1 4.27 0.01 . 1 . . . . 12 PHE HA . 27041 1 73 . 1 1 12 12 PHE HB2 H 1 3.06 0.01 . 2 . . . . 12 PHE HB2 . 27041 1 74 . 1 1 12 12 PHE HB3 H 1 3.13 0.01 . 2 . . . . 12 PHE HB3 . 27041 1 75 . 1 1 12 12 PHE HD1 H 1 7.38 0.01 . 1 . . . . 12 PHE HD1 . 27041 1 76 . 1 1 12 12 PHE HE1 H 1 6.59 0.01 . 4 . . . . 12 PHE HE1 . 27041 1 77 . 1 1 12 12 PHE HZ H 1 7.07 0.01 . 4 . . . . 12 PHE HZ . 27041 1 78 . 1 1 12 12 PHE CA C 13 59.00 0.01 . 1 . . . . 12 PHE CA . 27041 1 79 . 1 1 12 12 PHE CB C 13 39.50 0.01 . 1 . . . . 12 PHE CB . 27041 1 80 . 1 1 12 12 PHE N N 15 119.78 0.01 . 1 . . . . 12 PHE N . 27041 1 81 . 1 1 13 13 GLY H H 1 8.07 0.01 . 1 . . . . 13 GLY H . 27041 1 82 . 1 1 13 13 GLY HA2 H 1 3.96 0.01 . 2 . . . . 13 GLY HA2 . 27041 1 83 . 1 1 13 13 GLY HA3 H 1 4.18 0.01 . 2 . . . . 13 GLY HA3 . 27041 1 84 . 1 1 13 13 GLY CA C 13 44.80 0.01 . 1 . . . . 13 GLY CA . 27041 1 85 . 1 1 13 13 GLY N N 15 109.29 0.01 . 1 . . . . 13 GLY N . 27041 1 86 . 1 1 14 14 LEU H H 1 8.08 0.01 . 1 . . . . 14 LEU H . 27041 1 87 . 1 1 14 14 LEU HA H 1 4.27 0.01 . 1 . . . . 14 LEU HA . 27041 1 88 . 1 1 14 14 LEU HB2 H 1 1.46 0.01 . 2 . . . . 14 LEU HB2 . 27041 1 89 . 1 1 14 14 LEU HB3 H 1 2.13 0.01 . 2 . . . . 14 LEU HB3 . 27041 1 90 . 1 1 14 14 LEU HG H 1 1.30 0.01 . 1 . . . . 14 LEU HG . 27041 1 91 . 1 1 14 14 LEU HD11 H 1 0.53 0.01 . 2 . . . . 14 LEU MD1 . 27041 1 92 . 1 1 14 14 LEU HD12 H 1 0.53 0.01 . 2 . . . . 14 LEU MD1 . 27041 1 93 . 1 1 14 14 LEU HD13 H 1 0.53 0.01 . 2 . . . . 14 LEU MD1 . 27041 1 94 . 1 1 14 14 LEU HD21 H 1 0.68 0.01 . 2 . . . . 14 LEU MD2 . 27041 1 95 . 1 1 14 14 LEU HD22 H 1 0.68 0.01 . 2 . . . . 14 LEU MD2 . 27041 1 96 . 1 1 14 14 LEU HD23 H 1 0.68 0.01 . 2 . . . . 14 LEU MD2 . 27041 1 97 . 1 1 14 14 LEU CA C 13 56.70 0.01 . 1 . . . . 14 LEU CA . 27041 1 98 . 1 1 14 14 LEU CB C 13 43.00 0.01 . 1 . . . . 14 LEU CB . 27041 1 99 . 1 1 14 14 LEU N N 15 121.52 0.01 . 1 . . . . 14 LEU N . 27041 1 100 . 1 1 15 15 LEU H H 1 9.24 0.01 . 1 . . . . 15 LEU H . 27041 1 101 . 1 1 15 15 LEU HA H 1 5.25 0.01 . 1 . . . . 15 LEU HA . 27041 1 102 . 1 1 15 15 LEU HB2 H 1 1.62 0.01 . 2 . . . . 15 LEU HB2 . 27041 1 103 . 1 1 15 15 LEU HB3 H 1 2.05 0.01 . 2 . . . . 15 LEU HB3 . 27041 1 104 . 1 1 15 15 LEU HG H 1 1.49 0.01 . 1 . . . . 15 LEU HG . 27041 1 105 . 1 1 15 15 LEU HD11 H 1 0.61 0.01 . 2 . . . . 15 LEU MD1 . 27041 1 106 . 1 1 15 15 LEU HD12 H 1 0.61 0.01 . 2 . . . . 15 LEU MD1 . 27041 1 107 . 1 1 15 15 LEU HD13 H 1 0.61 0.01 . 2 . . . . 15 LEU MD1 . 27041 1 108 . 1 1 15 15 LEU HD21 H 1 0.75 0.01 . 2 . . . . 15 LEU MD2 . 27041 1 109 . 1 1 15 15 LEU HD22 H 1 0.75 0.01 . 2 . . . . 15 LEU MD2 . 27041 1 110 . 1 1 15 15 LEU HD23 H 1 0.75 0.01 . 2 . . . . 15 LEU MD2 . 27041 1 111 . 1 1 15 15 LEU CA C 13 52.50 0.01 . 1 . . . . 15 LEU CA . 27041 1 112 . 1 1 15 15 LEU CB C 13 46.50 0.01 . 1 . . . . 15 LEU CB . 27041 1 113 . 1 1 15 15 LEU N N 15 123.28 0.01 . 1 . . . . 15 LEU N . 27041 1 114 . 1 1 16 16 TYR H H 1 9.48 0.01 . 1 . . . . 16 TYR H . 27041 1 115 . 1 1 16 16 TYR HA H 1 5.46 0.01 . 1 . . . . 16 TYR HA . 27041 1 116 . 1 1 16 16 TYR HB2 H 1 2.88 0.01 . 2 . . . . 16 TYR HB2 . 27041 1 117 . 1 1 16 16 TYR HB3 H 1 2.90 0.01 . 2 . . . . 16 TYR HB3 . 27041 1 118 . 1 1 16 16 TYR HD1 H 1 7.01 0.01 . 1 . . . . 16 TYR HD1 . 27041 1 119 . 1 1 16 16 TYR HE1 H 1 6.59 0.01 . 1 . . . . 16 TYR HE1 . 27041 1 120 . 1 1 16 16 TYR CA C 13 54.60 0.01 . 1 . . . . 16 TYR CA . 27041 1 121 . 1 1 16 16 TYR CB C 13 42.40 0.01 . 1 . . . . 16 TYR CB . 27041 1 122 . 1 1 16 16 TYR N N 15 117.66 0.01 . 1 . . . . 16 TYR N . 27041 1 123 . 1 1 17 17 GLN H H 1 8.18 0.01 . 1 . . . . 17 GLN H . 27041 1 124 . 1 1 17 17 GLN HA H 1 4.16 0.01 . 1 . . . . 17 GLN HA . 27041 1 125 . 1 1 17 17 GLN HB2 H 1 2.10 0.01 . 2 . . . . 17 GLN HB2 . 27041 1 126 . 1 1 17 17 GLN HB3 H 1 2.48 0.01 . 2 . . . . 17 GLN HB3 . 27041 1 127 . 1 1 17 17 GLN HG2 H 1 2.53 0.01 . 2 . . . . 17 GLN HG2 . 27041 1 128 . 1 1 17 17 GLN HG3 H 1 2.89 0.01 . 2 . . . . 17 GLN HG3 . 27041 1 129 . 1 1 17 17 GLN CA C 13 56.80 0.01 . 1 . . . . 17 GLN CA . 27041 1 130 . 1 1 17 17 GLN CB C 13 30.10 0.01 . 1 . . . . 17 GLN CB . 27041 1 131 . 1 1 17 17 GLN N N 15 123.50 0.01 . 1 . . . . 17 GLN N . 27041 1 132 . 1 1 18 18 ILE H H 1 8.97 0.01 . 1 . . . . 18 ILE H . 27041 1 133 . 1 1 18 18 ILE HA H 1 3.84 0.01 . 1 . . . . 18 ILE HA . 27041 1 134 . 1 1 18 18 ILE HB H 1 2.36 0.01 . 1 . . . . 18 ILE HB . 27041 1 135 . 1 1 18 18 ILE HG12 H 1 1.39 0.01 . 2 . . . . 18 ILE HG12 . 27041 1 136 . 1 1 18 18 ILE HG13 H 1 1.63 0.01 . 2 . . . . 18 ILE HG13 . 27041 1 137 . 1 1 18 18 ILE HG21 H 1 0.45 0.01 . 1 . . . . 18 ILE MG . 27041 1 138 . 1 1 18 18 ILE HG22 H 1 0.45 0.01 . 1 . . . . 18 ILE MG . 27041 1 139 . 1 1 18 18 ILE HG23 H 1 0.45 0.01 . 1 . . . . 18 ILE MG . 27041 1 140 . 1 1 18 18 ILE HD11 H 1 0.90 0.01 . 1 . . . . 18 ILE MD . 27041 1 141 . 1 1 18 18 ILE HD12 H 1 0.90 0.01 . 1 . . . . 18 ILE MD . 27041 1 142 . 1 1 18 18 ILE HD13 H 1 0.90 0.01 . 1 . . . . 18 ILE MD . 27041 1 143 . 1 1 18 18 ILE CA C 13 61.50 0.01 . 1 . . . . 18 ILE CA . 27041 1 144 . 1 1 18 18 ILE CB C 13 37.60 0.01 . 1 . . . . 18 ILE CB . 27041 1 145 . 1 1 18 18 ILE N N 15 125.53 0.01 . 1 . . . . 18 ILE N . 27041 1 146 . 1 1 19 19 CYS H H 1 7.11 0.01 . 1 . . . . 19 CYS H . 27041 1 147 . 1 1 19 19 CYS HA H 1 4.25 0.01 . 1 . . . . 19 CYS HA . 27041 1 148 . 1 1 19 19 CYS HB2 H 1 3.30 0.01 . 2 . . . . 19 CYS HB2 . 27041 1 149 . 1 1 19 19 CYS HB3 H 1 3.55 0.01 . 2 . . . . 19 CYS HB3 . 27041 1 150 . 1 1 19 19 CYS CA C 13 56.40 0.01 . 1 . . . . 19 CYS CA . 27041 1 151 . 1 1 19 19 CYS CB C 13 30.30 0.01 . 1 . . . . 19 CYS CB . 27041 1 152 . 1 1 19 19 CYS N N 15 108.02 0.01 . 1 . . . . 19 CYS N . 27041 1 153 . 1 1 20 20 SER H H 1 8.39 0.01 . 1 . . . . 20 SER H . 27041 1 154 . 1 1 20 20 SER HA H 1 4.48 0.01 . 1 . . . . 20 SER HA . 27041 1 155 . 1 1 20 20 SER HB2 H 1 3.72 0.01 . 1 . . . . 20 SER HB2 . 27041 1 156 . 1 1 20 20 SER CA C 13 56.60 0.01 . 1 . . . . 20 SER CA . 27041 1 157 . 1 1 20 20 SER CB C 13 64.90 0.01 . 1 . . . . 20 SER CB . 27041 1 158 . 1 1 20 20 SER N N 15 114.84 0.01 . 1 . . . . 20 SER N . 27041 1 159 . 1 1 21 21 PHE H H 1 8.26 0.01 . 1 . . . . 21 PHE H . 27041 1 160 . 1 1 21 21 PHE HA H 1 4.57 0.01 . 1 . . . . 21 PHE HA . 27041 1 161 . 1 1 21 21 PHE HB2 H 1 3.20 0.01 . 2 . . . . 21 PHE HB2 . 27041 1 162 . 1 1 21 21 PHE HB3 H 1 3.66 0.01 . 2 . . . . 21 PHE HB3 . 27041 1 163 . 1 1 21 21 PHE HD1 H 1 6.99 0.01 . 4 . . . . 21 PHE HD1 . 27041 1 164 . 1 1 21 21 PHE HE1 H 1 6.44 0.01 . 1 . . . . 21 PHE HE1 . 27041 1 165 . 1 1 21 21 PHE HZ H 1 6.97 0.01 . 4 . . . . 21 PHE HZ . 27041 1 166 . 1 1 21 21 PHE CA C 13 57.50 0.01 . 1 . . . . 21 PHE CA . 27041 1 167 . 1 1 21 21 PHE CB C 13 40.40 0.01 . 1 . . . . 21 PHE CB . 27041 1 168 . 1 1 21 21 PHE N N 15 119.01 0.01 . 1 . . . . 21 PHE N . 27041 1 169 . 1 1 22 22 GLY H H 1 8.66 0.01 . 1 . . . . 22 GLY H . 27041 1 170 . 1 1 22 22 GLY HA2 H 1 3.73 0.01 . 2 . . . . 22 GLY HA2 . 27041 1 171 . 1 1 22 22 GLY HA3 H 1 3.78 0.01 . 2 . . . . 22 GLY HA3 . 27041 1 172 . 1 1 22 22 GLY CA C 13 45.60 0.01 . 1 . . . . 22 GLY CA . 27041 1 173 . 1 1 22 22 GLY N N 15 109.00 0.01 . 1 . . . . 22 GLY N . 27041 1 174 . 1 1 23 23 ASP H H 1 8.15 0.01 . 1 . . . . 23 ASP H . 27041 1 175 . 1 1 23 23 ASP HA H 1 4.43 0.01 . 1 . . . . 23 ASP HA . 27041 1 176 . 1 1 23 23 ASP HB2 H 1 2.47 0.01 . 2 . . . . 23 ASP HB2 . 27041 1 177 . 1 1 23 23 ASP HB3 H 1 2.72 0.01 . 2 . . . . 23 ASP HB3 . 27041 1 178 . 1 1 23 23 ASP CA C 13 53.70 0.01 . 1 . . . . 23 ASP CA . 27041 1 179 . 1 1 23 23 ASP CB C 13 40.20 0.01 . 1 . . . . 23 ASP CB . 27041 1 180 . 1 1 23 23 ASP N N 15 119.20 0.01 . 1 . . . . 23 ASP N . 27041 1 181 . 1 1 24 24 SER H H 1 8.20 0.01 . 1 . . . . 24 SER H . 27041 1 182 . 1 1 24 24 SER HA H 1 4.12 0.01 . 1 . . . . 24 SER HA . 27041 1 183 . 1 1 24 24 SER HB2 H 1 3.97 0.01 . 1 . . . . 24 SER HB2 . 27041 1 184 . 1 1 24 24 SER CA C 13 60.60 0.01 . 1 . . . . 24 SER CA . 27041 1 185 . 1 1 24 24 SER CB C 13 62.4 0.01 . 1 . . . . 24 SER CB . 27041 1 186 . 1 1 24 24 SER N N 15 110.90 0.01 . 1 . . . . 24 SER N . 27041 1 187 . 1 1 25 25 LYS H H 1 7.85 0.01 . 1 . . . . 25 LYS H . 27041 1 188 . 1 1 25 25 LYS HA H 1 5.10 0.01 . 1 . . . . 25 LYS HA . 27041 1 189 . 1 1 25 25 LYS HB2 H 1 1.70 0.01 . 1 . . . . 25 LYS HB2 . 27041 1 190 . 1 1 25 25 LYS HG2 H 1 1.31 0.01 . 1 . . . . 25 LYS HG2 . 27041 1 191 . 1 1 25 25 LYS CA C 13 56.00 0.01 . 1 . . . . 25 LYS CA . 27041 1 192 . 1 1 25 25 LYS CB C 13 34.80 0.01 . 1 . . . . 25 LYS CB . 27041 1 193 . 1 1 25 25 LYS N N 15 120.40 0.01 . 1 . . . . 25 LYS N . 27041 1 194 . 1 1 26 26 GLU H H 1 9.01 0.01 . 1 . . . . 26 GLU H . 27041 1 195 . 1 1 26 26 GLU HB2 H 1 1.94 0.01 . 2 . . . . 26 GLU HB2 . 27041 1 196 . 1 1 26 26 GLU HB3 H 1 2.27 0.01 . 2 . . . . 26 GLU HB3 . 27041 1 197 . 1 1 26 26 GLU HG2 H 1 2.47 0.01 . 2 . . . . 26 GLU HG2 . 27041 1 198 . 1 1 26 26 GLU HG3 H 1 2.64 0.01 . 2 . . . . 26 GLU HG3 . 27041 1 199 . 1 1 26 26 GLU CA C 13 55.40 0.01 . 1 . . . . 26 GLU CA . 27041 1 200 . 1 1 26 26 GLU CB C 13 34.70 0.01 . 1 . . . . 26 GLU CB . 27041 1 201 . 1 1 26 26 GLU N N 15 119.30 0.01 . 1 . . . . 26 GLU N . 27041 1 202 . 1 1 27 27 LEU H H 1 8.67 0.01 . 1 . . . . 27 LEU H . 27041 1 203 . 1 1 27 27 LEU HA H 1 5.43 0.01 . 1 . . . . 27 LEU HA . 27041 1 204 . 1 1 27 27 LEU HB2 H 1 1.51 0.01 . 2 . . . . 27 LEU HB2 . 27041 1 205 . 1 1 27 27 LEU HB3 H 1 1.92 0.01 . 2 . . . . 27 LEU HB3 . 27041 1 206 . 1 1 27 27 LEU HG H 1 1.27 0.01 . 1 . . . . 27 LEU HG . 27041 1 207 . 1 1 27 27 LEU HD11 H 1 0.18 0.01 . 2 . . . . 27 LEU MD1 . 27041 1 208 . 1 1 27 27 LEU HD12 H 1 0.18 0.01 . 2 . . . . 27 LEU MD1 . 27041 1 209 . 1 1 27 27 LEU HD13 H 1 0.18 0.01 . 2 . . . . 27 LEU MD1 . 27041 1 210 . 1 1 27 27 LEU HD21 H 1 1.07 0.01 . 2 . . . . 27 LEU MD2 . 27041 1 211 . 1 1 27 27 LEU HD22 H 1 1.07 0.01 . 2 . . . . 27 LEU MD2 . 27041 1 212 . 1 1 27 27 LEU HD23 H 1 1.07 0.01 . 2 . . . . 27 LEU MD2 . 27041 1 213 . 1 1 27 27 LEU CA C 13 54.00 0.01 . 1 . . . . 27 LEU CA . 27041 1 214 . 1 1 27 27 LEU CB C 13 45.10 0.01 . 1 . . . . 27 LEU CB . 27041 1 215 . 1 1 27 27 LEU N N 15 122.70 0.01 . 1 . . . . 27 LEU N . 27041 1 216 . 1 1 28 28 PHE H H 1 9.65 0.01 . 1 . . . . 28 PHE H . 27041 1 217 . 1 1 28 28 PHE HA H 1 5.19 0.01 . 1 . . . . 28 PHE HA . 27041 1 218 . 1 1 28 28 PHE HB2 H 1 3.40 0.01 . 1 . . . . 28 PHE HB2 . 27041 1 219 . 1 1 28 28 PHE HD1 H 1 6.86 0.01 . 1 . . . . 28 PHE HD1 . 27041 1 220 . 1 1 28 28 PHE HE1 H 1 7.01 0.01 . 1 . . . . 28 PHE HE1 . 27041 1 221 . 1 1 28 28 PHE HZ H 1 6.02 0.01 . 1 . . . . 28 PHE HZ . 27041 1 222 . 1 1 28 28 PHE CA C 13 56.40 0.01 . 1 . . . . 28 PHE CA . 27041 1 223 . 1 1 28 28 PHE CB C 13 45.50 0.01 . 1 . . . . 28 PHE CB . 27041 1 224 . 1 1 28 28 PHE N N 15 129.26 0.01 . 1 . . . . 28 PHE N . 27041 1 225 . 1 1 29 29 ALA H H 1 8.54 0.01 . 1 . . . . 29 ALA H . 27041 1 226 . 1 1 29 29 ALA HA H 1 5.40 0.01 . 1 . . . . 29 ALA HA . 27041 1 227 . 1 1 29 29 ALA HB1 H 1 1.51 0.01 . 1 . . . . 29 ALA MB . 27041 1 228 . 1 1 29 29 ALA HB2 H 1 1.51 0.01 . 1 . . . . 29 ALA MB . 27041 1 229 . 1 1 29 29 ALA HB3 H 1 1.51 0.01 . 1 . . . . 29 ALA MB . 27041 1 230 . 1 1 29 29 ALA CA C 13 49.70 0.01 . 1 . . . . 29 ALA CA . 27041 1 231 . 1 1 29 29 ALA CB C 13 23.40 0.01 . 1 . . . . 29 ALA CB . 27041 1 232 . 1 1 29 29 ALA N N 15 119.98 0.01 . 1 . . . . 29 ALA N . 27041 1 233 . 1 1 30 30 THR H H 1 8.14 0.01 . 1 . . . . 30 THR H . 27041 1 234 . 1 1 30 30 THR HA H 1 5.26 0.01 . 1 . . . . 30 THR HA . 27041 1 235 . 1 1 30 30 THR HB H 1 3.75 0.01 . 1 . . . . 30 THR HB . 27041 1 236 . 1 1 30 30 THR HG21 H 1 1.12 0.01 . 1 . . . . 30 THR MG . 27041 1 237 . 1 1 30 30 THR HG22 H 1 1.12 0.01 . 1 . . . . 30 THR MG . 27041 1 238 . 1 1 30 30 THR HG23 H 1 1.12 0.01 . 1 . . . . 30 THR MG . 27041 1 239 . 1 1 30 30 THR CA C 13 61.30 0.01 . 1 . . . . 30 THR CA . 27041 1 240 . 1 1 30 30 THR CB C 13 69.40 0.01 . 1 . . . . 30 THR CB . 27041 1 241 . 1 1 30 30 THR N N 15 108.10 0.01 . 1 . . . . 30 THR N . 27041 1 242 . 1 1 31 31 LEU H H 1 8.07 0.01 . 1 . . . . 31 LEU H . 27041 1 243 . 1 1 31 31 LEU HA H 1 4.54 0.01 . 1 . . . . 31 LEU HA . 27041 1 244 . 1 1 31 31 LEU HB2 H 1 1.65 0.01 . 2 . . . . 31 LEU HB2 . 27041 1 245 . 1 1 31 31 LEU HB3 H 1 1.98 0.01 . 2 . . . . 31 LEU HB3 . 27041 1 246 . 1 1 31 31 LEU HG H 1 1.44 0.01 . 1 . . . . 31 LEU HG . 27041 1 247 . 1 1 31 31 LEU HD11 H 1 0.34 0.01 . 2 . . . . 31 LEU MD1 . 27041 1 248 . 1 1 31 31 LEU HD12 H 1 0.34 0.01 . 2 . . . . 31 LEU MD1 . 27041 1 249 . 1 1 31 31 LEU HD13 H 1 0.34 0.01 . 2 . . . . 31 LEU MD1 . 27041 1 250 . 1 1 31 31 LEU HD21 H 1 0.83 0.01 . 2 . . . . 31 LEU MD2 . 27041 1 251 . 1 1 31 31 LEU HD22 H 1 0.83 0.01 . 2 . . . . 31 LEU MD2 . 27041 1 252 . 1 1 31 31 LEU HD23 H 1 0.83 0.01 . 2 . . . . 31 LEU MD2 . 27041 1 253 . 1 1 31 31 LEU CA C 13 56.50 0.01 . 1 . . . . 31 LEU CA . 27041 1 254 . 1 1 31 31 LEU CB C 13 43.90 0.01 . 1 . . . . 31 LEU CB . 27041 1 255 . 1 1 31 31 LEU N N 15 122.59 0.01 . 1 . . . . 31 LEU N . 27041 1 256 . 1 1 32 32 TYR H H 1 8.12 0.01 . 1 . . . . 32 TYR H . 27041 1 257 . 1 1 32 32 TYR HA H 1 4.58 0.01 . 1 . . . . 32 TYR HA . 27041 1 258 . 1 1 32 32 TYR HB2 H 1 2.74 0.01 . 2 . . . . 32 TYR HB2 . 27041 1 259 . 1 1 32 32 TYR HB3 H 1 2.98 0.01 . 2 . . . . 32 TYR HB3 . 27041 1 260 . 1 1 32 32 TYR HD1 H 1 7.06 0.01 . 1 . . . . 32 TYR HD1 . 27041 1 261 . 1 1 32 32 TYR HE1 H 1 6.63 0.01 . 1 . . . . 32 TYR HE1 . 27041 1 262 . 1 1 32 32 TYR CA C 13 56.10 0.01 . 1 . . . . 32 TYR CA . 27041 1 263 . 1 1 32 32 TYR CB C 13 40.40 0.01 . 1 . . . . 32 TYR CB . 27041 1 264 . 1 1 32 32 TYR N N 15 116.50 0.01 . 1 . . . . 32 TYR N . 27041 1 265 . 1 1 33 33 ALA H H 1 8.35 0.01 . 1 . . . . 33 ALA H . 27041 1 266 . 1 1 33 33 ALA HA H 1 4.00 0.01 . 1 . . . . 33 ALA HA . 27041 1 267 . 1 1 33 33 ALA HB1 H 1 1.40 0.01 . 1 . . . . 33 ALA MB . 27041 1 268 . 1 1 33 33 ALA HB2 H 1 1.40 0.01 . 1 . . . . 33 ALA MB . 27041 1 269 . 1 1 33 33 ALA HB3 H 1 1.40 0.01 . 1 . . . . 33 ALA MB . 27041 1 270 . 1 1 33 33 ALA CA C 13 53.40 0.01 . 1 . . . . 33 ALA CA . 27041 1 271 . 1 1 33 33 ALA CB C 13 17.70 0.01 . 1 . . . . 33 ALA CB . 27041 1 272 . 1 1 33 33 ALA N N 15 120.10 0.01 . 1 . . . . 33 ALA N . 27041 1 273 . 1 1 34 34 GLN H H 1 7.57 0.01 . 1 . . . . 34 GLN H . 27041 1 274 . 1 1 34 34 GLN HA H 1 4.29 0.01 . 1 . . . . 34 GLN HA . 27041 1 275 . 1 1 34 34 GLN HB2 H 1 2.08 0.01 . 2 . . . . 34 GLN HB2 . 27041 1 276 . 1 1 34 34 GLN HB3 H 1 2.24 0.01 . 2 . . . . 34 GLN HB3 . 27041 1 277 . 1 1 34 34 GLN CA C 13 56.20 0.01 . 1 . . . . 34 GLN CA . 27041 1 278 . 1 1 34 34 GLN CB C 13 28.10 0.01 . 1 . . . . 34 GLN CB . 27041 1 279 . 1 1 34 34 GLN N N 15 120.70 0.01 . 1 . . . . 34 GLN N . 27041 1 280 . 1 1 35 35 ARG H H 1 8.31 0.01 . 1 . . . . 35 ARG H . 27041 1 281 . 1 1 35 35 ARG HA H 1 3.55 0.01 . 1 . . . . 35 ARG HA . 27041 1 282 . 1 1 35 35 ARG HB2 H 1 1.77 0.01 . 2 . . . . 35 ARG HB2 . 27041 1 283 . 1 1 35 35 ARG HB3 H 1 1.91 0.01 . 2 . . . . 35 ARG HB3 . 27041 1 284 . 1 1 35 35 ARG HG2 H 1 1.64 0.01 . 2 . . . . 35 ARG HG2 . 27041 1 285 . 1 1 35 35 ARG HG3 H 1 1.69 0.01 . 2 . . . . 35 ARG HG3 . 27041 1 286 . 1 1 35 35 ARG CA C 13 56.20 0.01 . 1 . . . . 35 ARG CA . 27041 1 287 . 1 1 35 35 ARG CB C 13 28.50 0.01 . 1 . . . . 35 ARG CB . 27041 1 288 . 1 1 35 35 ARG N N 15 125.50 0.01 . 1 . . . . 35 ARG N . 27041 1 289 . 1 1 36 36 LEU H H 1 7.87 0.01 . 1 . . . . 36 LEU H . 27041 1 290 . 1 1 36 36 LEU HA H 1 4.56 0.01 . 1 . . . . 36 LEU HA . 27041 1 291 . 1 1 36 36 LEU HB2 H 1 1.98 0.01 . 2 . . . . 36 LEU HB2 . 27041 1 292 . 1 1 36 36 LEU HB3 H 1 2.12 0.01 . 2 . . . . 36 LEU HB3 . 27041 1 293 . 1 1 36 36 LEU HG H 1 1.50 0.01 . 1 . . . . 36 LEU HG . 27041 1 294 . 1 1 36 36 LEU HD11 H 1 0.77 0.01 . 2 . . . . 36 LEU MD1 . 27041 1 295 . 1 1 36 36 LEU HD12 H 1 0.77 0.01 . 2 . . . . 36 LEU MD1 . 27041 1 296 . 1 1 36 36 LEU HD13 H 1 0.77 0.01 . 2 . . . . 36 LEU MD1 . 27041 1 297 . 1 1 36 36 LEU HD21 H 1 0.93 0.01 . 2 . . . . 36 LEU MD2 . 27041 1 298 . 1 1 36 36 LEU HD22 H 1 0.93 0.01 . 2 . . . . 36 LEU MD2 . 27041 1 299 . 1 1 36 36 LEU HD23 H 1 0.93 0.01 . 2 . . . . 36 LEU MD2 . 27041 1 300 . 1 1 36 36 LEU CA C 13 53.20 0.01 . 1 . . . . 36 LEU CA . 27041 1 301 . 1 1 36 36 LEU CB C 13 44.60 0.01 . 1 . . . . 36 LEU CB . 27041 1 302 . 1 1 36 36 LEU N N 15 129.10 0.01 . 1 . . . . 36 LEU N . 27041 1 303 . 1 1 37 37 PHE H H 1 8.02 0.01 . 1 . . . . 37 PHE H . 27041 1 304 . 1 1 37 37 PHE HA H 1 4.93 0.01 . 1 . . . . 37 PHE HA . 27041 1 305 . 1 1 37 37 PHE HB2 H 1 2.84 0.01 . 2 . . . . 37 PHE HB2 . 27041 1 306 . 1 1 37 37 PHE HB3 H 1 2.92 0.01 . 2 . . . . 37 PHE HB3 . 27041 1 307 . 1 1 37 37 PHE HD1 H 1 6.89 0.01 . 1 . . . . 37 PHE HD1 . 27041 1 308 . 1 1 37 37 PHE HE1 H 1 6.72 0.01 . 1 . . . . 37 PHE HE1 . 27041 1 309 . 1 1 37 37 PHE HZ H 1 7.00 0.01 . 1 . . . . 37 PHE HZ . 27041 1 310 . 1 1 37 37 PHE CA C 13 56.50 0.01 . 1 . . . . 37 PHE CA . 27041 1 311 . 1 1 37 37 PHE CB C 13 42.40 0.01 . 1 . . . . 37 PHE CB . 27041 1 312 . 1 1 37 37 PHE N N 15 116.20 0.01 . 1 . . . . 37 PHE N . 27041 1 313 . 1 1 38 38 PHE H H 1 9.00 0.01 . 1 . . . . 38 PHE H . 27041 1 314 . 1 1 38 38 PHE HA H 1 5.00 0.01 . 1 . . . . 38 PHE HA . 27041 1 315 . 1 1 38 38 PHE HB2 H 1 2.68 0.01 . 2 . . . . 38 PHE HB2 . 27041 1 316 . 1 1 38 38 PHE HB3 H 1 3.13 0.01 . 2 . . . . 38 PHE HB3 . 27041 1 317 . 1 1 38 38 PHE HD1 H 1 6.55 0.01 . 1 . . . . 38 PHE HD1 . 27041 1 318 . 1 1 38 38 PHE HE1 H 1 6.77 0.01 . 1 . . . . 38 PHE HE1 . 27041 1 319 . 1 1 38 38 PHE HZ H 1 7.30 0.01 . 1 . . . . 38 PHE HZ . 27041 1 320 . 1 1 38 38 PHE CA C 13 56.90 0.01 . 1 . . . . 38 PHE CA . 27041 1 321 . 1 1 38 38 PHE CB C 13 43.90 0.01 . 1 . . . . 38 PHE CB . 27041 1 322 . 1 1 38 38 PHE N N 15 116.60 0.01 . 1 . . . . 38 PHE N . 27041 1 323 . 1 1 39 39 LEU H H 1 9.49 0.01 . 1 . . . . 39 LEU H . 27041 1 324 . 1 1 39 39 LEU HA H 1 5.08 0.01 . 1 . . . . 39 LEU HA . 27041 1 325 . 1 1 39 39 LEU HB2 H 1 1.73 0.01 . 2 . . . . 39 LEU HB2 . 27041 1 326 . 1 1 39 39 LEU HB3 H 1 1.97 0.01 . 2 . . . . 39 LEU HB3 . 27041 1 327 . 1 1 39 39 LEU HG H 1 1.49 0.01 . 1 . . . . 39 LEU HG . 27041 1 328 . 1 1 39 39 LEU HD11 H 1 0.45 0.01 . 2 . . . . 39 LEU MD1 . 27041 1 329 . 1 1 39 39 LEU HD12 H 1 0.45 0.01 . 2 . . . . 39 LEU MD1 . 27041 1 330 . 1 1 39 39 LEU HD13 H 1 0.45 0.01 . 2 . . . . 39 LEU MD1 . 27041 1 331 . 1 1 39 39 LEU HD21 H 1 0.68 0.01 . 2 . . . . 39 LEU MD2 . 27041 1 332 . 1 1 39 39 LEU HD22 H 1 0.68 0.01 . 2 . . . . 39 LEU MD2 . 27041 1 333 . 1 1 39 39 LEU HD23 H 1 0.68 0.01 . 2 . . . . 39 LEU MD2 . 27041 1 334 . 1 1 39 39 LEU CA C 13 54.20 0.01 . 1 . . . . 39 LEU CA . 27041 1 335 . 1 1 39 39 LEU CB C 13 43.40 0.01 . 1 . . . . 39 LEU CB . 27041 1 336 . 1 1 39 39 LEU N N 15 125.40 0.01 . 1 . . . . 39 LEU N . 27041 1 337 . 1 1 40 40 VAL H H 1 9.54 0.01 . 1 . . . . 40 VAL H . 27041 1 338 . 1 1 40 40 VAL HA H 1 4.50 0.01 . 1 . . . . 40 VAL HA . 27041 1 339 . 1 1 40 40 VAL HB H 1 1.51 0.01 . 1 . . . . 40 VAL HB . 27041 1 340 . 1 1 40 40 VAL HG11 H 1 -0.47 0.01 . 2 . . . . 40 VAL MG1 . 27041 1 341 . 1 1 40 40 VAL HG12 H 1 -0.47 0.01 . 2 . . . . 40 VAL MG1 . 27041 1 342 . 1 1 40 40 VAL HG13 H 1 -0.47 0.01 . 2 . . . . 40 VAL MG1 . 27041 1 343 . 1 1 40 40 VAL HG21 H 1 0.27 0.01 . 2 . . . . 40 VAL MG2 . 27041 1 344 . 1 1 40 40 VAL HG22 H 1 0.27 0.01 . 2 . . . . 40 VAL MG2 . 27041 1 345 . 1 1 40 40 VAL HG23 H 1 0.27 0.01 . 2 . . . . 40 VAL MG2 . 27041 1 346 . 1 1 40 40 VAL CA C 13 61.30 0.01 . 1 . . . . 40 VAL CA . 27041 1 347 . 1 1 40 40 VAL CB C 13 33.60 0.01 . 1 . . . . 40 VAL CB . 27041 1 348 . 1 1 40 40 VAL N N 15 128.20 0.01 . 1 . . . . 40 VAL N . 27041 1 349 . 1 1 41 41 ALA H H 1 7.94 0.01 . 1 . . . . 41 ALA H . 27041 1 350 . 1 1 41 41 ALA HA H 1 4.48 0.01 . 1 . . . . 41 ALA HA . 27041 1 351 . 1 1 41 41 ALA HB1 H 1 1.25 0.01 . 1 . . . . 41 ALA MB . 27041 1 352 . 1 1 41 41 ALA HB2 H 1 1.25 0.01 . 1 . . . . 41 ALA MB . 27041 1 353 . 1 1 41 41 ALA HB3 H 1 1.25 0.01 . 1 . . . . 41 ALA MB . 27041 1 354 . 1 1 41 41 ALA CA C 13 49.60 0.01 . 1 . . . . 41 ALA CA . 27041 1 355 . 1 1 41 41 ALA CB C 13 21.70 0.01 . 1 . . . . 41 ALA CB . 27041 1 356 . 1 1 41 41 ALA N N 15 127.20 0.01 . 1 . . . . 41 ALA N . 27041 1 357 . 1 1 42 42 PHE H H 1 8.48 0.01 . 1 . . . . 42 PHE H . 27041 1 358 . 1 1 42 42 PHE HA H 1 4.62 0.01 . 1 . . . . 42 PHE HA . 27041 1 359 . 1 1 42 42 PHE HB2 H 1 3.41 0.01 . 2 . . . . 42 PHE HB2 . 27041 1 360 . 1 1 42 42 PHE HB3 H 1 3.61 0.01 . 2 . . . . 42 PHE HB3 . 27041 1 361 . 1 1 42 42 PHE HD1 H 1 6.98 0.01 . 4 . . . . 42 PHE HD1 . 27041 1 362 . 1 1 42 42 PHE HE1 H 1 6.92 0.01 . 4 . . . . 42 PHE HE1 . 27041 1 363 . 1 1 42 42 PHE HZ H 1 6.61 0.01 . 1 . . . . 42 PHE HZ . 27041 1 364 . 1 1 42 42 PHE CA C 13 57.10 0.01 . 1 . . . . 42 PHE CA . 27041 1 365 . 1 1 42 42 PHE CB C 13 39.20 0.01 . 1 . . . . 42 PHE CB . 27041 1 366 . 1 1 42 42 PHE N N 15 121.50 0.01 . 1 . . . . 42 PHE N . 27041 1 367 . 1 1 43 43 ASP H H 1 7.93 0.01 . 1 . . . . 43 ASP H . 27041 1 368 . 1 1 43 43 ASP HA H 1 4.48 0.01 . 1 . . . . 43 ASP HA . 27041 1 369 . 1 1 43 43 ASP HB2 H 1 2.68 0.01 . 2 . . . . 43 ASP HB2 . 27041 1 370 . 1 1 43 43 ASP HB3 H 1 2.82 0.01 . 2 . . . . 43 ASP HB3 . 27041 1 371 . 1 1 43 43 ASP CA C 13 53.40 0.01 . 1 . . . . 43 ASP CA . 27041 1 372 . 1 1 43 43 ASP CB C 13 42.20 0.01 . 1 . . . . 43 ASP CB . 27041 1 373 . 1 1 43 43 ASP N N 15 122.70 0.01 . 1 . . . . 43 ASP N . 27041 1 374 . 1 1 44 44 ALA H H 1 8.50 0.01 . 1 . . . . 44 ALA H . 27041 1 375 . 1 1 44 44 ALA HA H 1 4.19 0.01 . 1 . . . . 44 ALA HA . 27041 1 376 . 1 1 44 44 ALA HB1 H 1 1.08 0.01 . 1 . . . . 44 ALA MB . 27041 1 377 . 1 1 44 44 ALA HB2 H 1 1.08 0.01 . 1 . . . . 44 ALA MB . 27041 1 378 . 1 1 44 44 ALA HB3 H 1 1.08 0.01 . 1 . . . . 44 ALA MB . 27041 1 379 . 1 1 44 44 ALA CA C 13 54.80 0.01 . 1 . . . . 44 ALA CA . 27041 1 380 . 1 1 44 44 ALA CB C 13 18.30 0.01 . 1 . . . . 44 ALA CB . 27041 1 381 . 1 1 44 44 ALA N N 15 124.10 0.01 . 1 . . . . 44 ALA N . 27041 1 382 . 1 1 45 45 ARG H H 1 8.49 0.01 . 1 . . . . 45 ARG H . 27041 1 383 . 1 1 45 45 ARG HA H 1 4.10 0.01 . 1 . . . . 45 ARG HA . 27041 1 384 . 1 1 45 45 ARG HB2 H 1 2.18 0.01 . 1 . . . . 45 ARG HB2 . 27041 1 385 . 1 1 45 45 ARG HG2 H 1 1.62 0.01 . 1 . . . . 45 ARG HG2 . 27041 1 386 . 1 1 45 45 ARG CA C 13 56.40 0.01 . 1 . . . . 45 ARG CA . 27041 1 387 . 1 1 45 45 ARG CB C 13 30.10 0.01 . 1 . . . . 45 ARG CB . 27041 1 388 . 1 1 45 45 ARG N N 15 115.00 0.01 . 1 . . . . 45 ARG N . 27041 1 389 . 1 1 46 46 GLY H H 1 7.61 0.01 . 1 . . . . 46 GLY H . 27041 1 390 . 1 1 46 46 GLY HA2 H 1 3.78 0.01 . 2 . . . . 46 GLY HA2 . 27041 1 391 . 1 1 46 46 GLY HA3 H 1 3.93 0.01 . 2 . . . . 46 GLY HA3 . 27041 1 392 . 1 1 46 46 GLY CA C 13 44.70 0.01 . 1 . . . . 46 GLY CA . 27041 1 393 . 1 1 46 46 GLY N N 15 109.40 0.01 . 1 . . . . 46 GLY N . 27041 1 394 . 1 1 47 47 THR H H 1 8.20 0.01 . 1 . . . . 47 THR H . 27041 1 395 . 1 1 47 47 THR HA H 1 4.20 0.01 . 1 . . . . 47 THR HA . 27041 1 396 . 1 1 47 47 THR HB H 1 4.05 0.01 . 1 . . . . 47 THR HB . 27041 1 397 . 1 1 47 47 THR HG21 H 1 0.05 0.01 . 1 . . . . 47 THR MG . 27041 1 398 . 1 1 47 47 THR HG22 H 1 0.05 0.01 . 1 . . . . 47 THR MG . 27041 1 399 . 1 1 47 47 THR HG23 H 1 0.05 0.01 . 1 . . . . 47 THR MG . 27041 1 400 . 1 1 47 47 THR CA C 13 62.40 0.01 . 1 . . . . 47 THR CA . 27041 1 401 . 1 1 47 47 THR CB C 13 69.60 0.01 . 1 . . . . 47 THR CB . 27041 1 402 . 1 1 47 47 THR N N 15 119.60 0.01 . 1 . . . . 47 THR N . 27041 1 403 . 1 1 48 48 ARG H H 1 8.38 0.01 . 1 . . . . 48 ARG H . 27041 1 404 . 1 1 48 48 ARG HA H 1 4.30 0.01 . 1 . . . . 48 ARG HA . 27041 1 405 . 1 1 48 48 ARG HB2 H 1 1.83 0.01 . 2 . . . . 48 ARG HB2 . 27041 1 406 . 1 1 48 48 ARG HB3 H 1 1.95 0.01 . 2 . . . . 48 ARG HB3 . 27041 1 407 . 1 1 48 48 ARG HG2 H 1 1.46 0.01 . 2 . . . . 48 ARG HG2 . 27041 1 408 . 1 1 48 48 ARG HG3 H 1 1.72 0.01 . 2 . . . . 48 ARG HG3 . 27041 1 409 . 1 1 48 48 ARG CA C 13 54.70 0.01 . 1 . . . . 48 ARG CA . 27041 1 410 . 1 1 48 48 ARG CB C 13 32.70 0.01 . 1 . . . . 48 ARG CB . 27041 1 411 . 1 1 48 48 ARG N N 15 126.70 0.01 . 1 . . . . 48 ARG N . 27041 1 412 . 1 1 49 49 PHE H H 1 8.69 0.01 . 1 . . . . 49 PHE H . 27041 1 413 . 1 1 49 49 PHE HA H 1 4.66 0.01 . 1 . . . . 49 PHE HA . 27041 1 414 . 1 1 49 49 PHE HB2 H 1 2.89 0.01 . 1 . . . . 49 PHE HB2 . 27041 1 415 . 1 1 49 49 PHE HD1 H 1 7.01 0.01 . 1 . . . . 49 PHE HD1 . 27041 1 416 . 1 1 49 49 PHE HE1 H 1 6.64 0.01 . 4 . . . . 49 PHE HE1 . 27041 1 417 . 1 1 49 49 PHE HZ H 1 6.32 0.01 . 4 . . . . 49 PHE HZ . 27041 1 418 . 1 1 49 49 PHE CA C 13 56.70 0.01 . 1 . . . . 49 PHE CA . 27041 1 419 . 1 1 49 49 PHE CB C 13 41.30 0.01 . 1 . . . . 49 PHE CB . 27041 1 420 . 1 1 49 49 PHE N N 15 121.00 0.01 . 1 . . . . 49 PHE N . 27041 1 421 . 1 1 50 50 GLU H H 1 9.11 0.01 . 1 . . . . 50 GLU H . 27041 1 422 . 1 1 50 50 GLU HA H 1 5.00 0.01 . 1 . . . . 50 GLU HA . 27041 1 423 . 1 1 50 50 GLU HB2 H 1 1.91 0.01 . 2 . . . . 50 GLU HB2 . 27041 1 424 . 1 1 50 50 GLU HB3 H 1 2.06 0.01 . 2 . . . . 50 GLU HB3 . 27041 1 425 . 1 1 50 50 GLU CA C 13 53.10 0.01 . 1 . . . . 50 GLU CA . 27041 1 426 . 1 1 50 50 GLU CB C 13 31.30 0.01 . 1 . . . . 50 GLU CB . 27041 1 427 . 1 1 50 50 GLU N N 15 125.40 0.01 . 1 . . . . 50 GLU N . 27041 1 428 . 1 1 51 51 PRO HA H 1 5.56 0.01 . 1 . . . . 51 PRO HA . 27041 1 429 . 1 1 51 51 PRO HB2 H 1 1.46 0.01 . 2 . . . . 51 PRO HB2 . 27041 1 430 . 1 1 51 51 PRO HB3 H 1 2.01 0.01 . 2 . . . . 51 PRO HB3 . 27041 1 431 . 1 1 51 51 PRO HG2 H 1 2.64 0.01 . 1 . . . . 51 PRO HG2 . 27041 1 432 . 1 1 51 51 PRO HD2 H 1 3.31 0.01 . 2 . . . . 51 PRO HD2 . 27041 1 433 . 1 1 51 51 PRO HD3 H 1 3.96 0.01 . 2 . . . . 51 PRO HD3 . 27041 1 434 . 1 1 51 51 PRO CA C 13 63.30 0.01 . 1 . . . . 51 PRO CA . 27041 1 435 . 1 1 51 51 PRO CB C 13 32.60 0.01 . 1 . . . . 51 PRO CB . 27041 1 436 . 1 1 52 52 ILE H H 1 7.58 0.01 . 1 . . . . 52 ILE H . 27041 1 437 . 1 1 52 52 ILE HA H 1 4.41 0.01 . 1 . . . . 52 ILE HA . 27041 1 438 . 1 1 52 52 ILE HB H 1 1.93 0.01 . 1 . . . . 52 ILE HB . 27041 1 439 . 1 1 52 52 ILE HG12 H 1 1.10 0.01 . 2 . . . . 52 ILE HG12 . 27041 1 440 . 1 1 52 52 ILE HG13 H 1 1.40 0.01 . 2 . . . . 52 ILE HG13 . 27041 1 441 . 1 1 52 52 ILE HG21 H 1 0.87 0.01 . 1 . . . . 52 ILE MG . 27041 1 442 . 1 1 52 52 ILE HG22 H 1 0.87 0.01 . 1 . . . . 52 ILE MG . 27041 1 443 . 1 1 52 52 ILE HG23 H 1 0.87 0.01 . 1 . . . . 52 ILE MG . 27041 1 444 . 1 1 52 52 ILE HD11 H 1 0.59 0.01 . 1 . . . . 52 ILE MD . 27041 1 445 . 1 1 52 52 ILE HD12 H 1 0.59 0.01 . 1 . . . . 52 ILE MD . 27041 1 446 . 1 1 52 52 ILE HD13 H 1 0.59 0.01 . 1 . . . . 52 ILE MD . 27041 1 447 . 1 1 52 52 ILE CA C 13 59.40 0.01 . 1 . . . . 52 ILE CA . 27041 1 448 . 1 1 52 52 ILE CB C 13 41.90 0.01 . 1 . . . . 52 ILE CB . 27041 1 449 . 1 1 52 52 ILE N N 15 119.60 0.01 . 1 . . . . 52 ILE N . 27041 1 450 . 1 1 53 53 GLY H H 1 8.53 0.01 . 1 . . . . 53 GLY H . 27041 1 451 . 1 1 53 53 GLY HA2 H 1 3.82 0.01 . 2 . . . . 53 GLY HA2 . 27041 1 452 . 1 1 53 53 GLY HA3 H 1 3.89 0.01 . 2 . . . . 53 GLY HA3 . 27041 1 453 . 1 1 53 53 GLY CA C 13 45.40 0.01 . 1 . . . . 53 GLY CA . 27041 1 454 . 1 1 53 53 GLY N N 15 111.90 0.01 . 1 . . . . 53 GLY N . 27041 1 455 . 1 1 54 54 ARG H H 1 8.57 0.01 . 1 . . . . 54 ARG H . 27041 1 456 . 1 1 54 54 ARG HA H 1 4.39 0.01 . 1 . . . . 54 ARG HA . 27041 1 457 . 1 1 54 54 ARG HB2 H 1 1.66 0.01 . 2 . . . . 54 ARG HB2 . 27041 1 458 . 1 1 54 54 ARG HB3 H 1 1.87 0.01 . 2 . . . . 54 ARG HB3 . 27041 1 459 . 1 1 54 54 ARG HG2 H 1 1.56 0.01 . 1 . . . . 54 ARG HG2 . 27041 1 460 . 1 1 54 54 ARG CA C 13 55.80 0.01 . 1 . . . . 54 ARG CA . 27041 1 461 . 1 1 54 54 ARG CB C 13 29.10 0.01 . 1 . . . . 54 ARG CB . 27041 1 462 . 1 1 54 54 ARG N N 15 121.08 0.01 . 1 . . . . 54 ARG N . 27041 1 463 . 1 1 55 55 ASN H H 1 8.30 0.01 . 1 . . . . 55 ASN H . 27041 1 464 . 1 1 55 55 ASN HA H 1 4.26 0.01 . 1 . . . . 55 ASN HA . 27041 1 465 . 1 1 55 55 ASN HB2 H 1 2.70 0.01 . 2 . . . . 55 ASN HB2 . 27041 1 466 . 1 1 55 55 ASN HB3 H 1 2.97 0.01 . 2 . . . . 55 ASN HB3 . 27041 1 467 . 1 1 55 55 ASN CA C 13 55.20 0.01 . 1 . . . . 55 ASN CA . 27041 1 468 . 1 1 55 55 ASN CB C 13 32.90 0.01 . 1 . . . . 55 ASN CB . 27041 1 469 . 1 1 55 55 ASN N N 15 121.60 0.01 . 1 . . . . 55 ASN N . 27041 1 470 . 1 1 56 56 GLU H H 1 7.61 0.01 . 1 . . . . 56 GLU H . 27041 1 471 . 1 1 56 56 GLU HA H 1 3.72 0.01 . 1 . . . . 56 GLU HA . 27041 1 472 . 1 1 56 56 GLU HB2 H 1 1.96 0.01 . 2 . . . . 56 GLU HB2 . 27041 1 473 . 1 1 56 56 GLU HB3 H 1 2.24 0.01 . 2 . . . . 56 GLU HB3 . 27041 1 474 . 1 1 56 56 GLU CA C 13 60.60 0.01 . 1 . . . . 56 GLU CA . 27041 1 475 . 1 1 56 56 GLU CB C 13 28.40 0.01 . 1 . . . . 56 GLU CB . 27041 1 476 . 1 1 56 56 GLU N N 15 116.50 0.01 . 1 . . . . 56 GLU N . 27041 1 477 . 1 1 57 57 ALA H H 1 8.31 0.01 . 1 . . . . 57 ALA H . 27041 1 478 . 1 1 57 57 ALA HA H 1 3.93 0.01 . 1 . . . . 57 ALA HA . 27041 1 479 . 1 1 57 57 ALA HB1 H 1 1.47 0.01 . 1 . . . . 57 ALA MB . 27041 1 480 . 1 1 57 57 ALA HB2 H 1 1.47 0.01 . 1 . . . . 57 ALA MB . 27041 1 481 . 1 1 57 57 ALA HB3 H 1 1.47 0.01 . 1 . . . . 57 ALA MB . 27041 1 482 . 1 1 57 57 ALA CA C 13 55.60 0.01 . 1 . . . . 57 ALA CA . 27041 1 483 . 1 1 57 57 ALA CB C 13 17.80 0.01 . 1 . . . . 57 ALA CB . 27041 1 484 . 1 1 57 57 ALA N N 15 122.70 0.01 . 1 . . . . 57 ALA N . 27041 1 485 . 1 1 58 58 ARG H H 1 7.86 0.01 . 1 . . . . 58 ARG H . 27041 1 486 . 1 1 58 58 ARG HA H 1 3.74 0.01 . 1 . . . . 58 ARG HA . 27041 1 487 . 1 1 58 58 ARG HB2 H 1 1.89 0.01 . 2 . . . . 58 ARG HB2 . 27041 1 488 . 1 1 58 58 ARG HB3 H 1 1.92 0.01 . 2 . . . . 58 ARG HB3 . 27041 1 489 . 1 1 58 58 ARG HG2 H 1 1.76 0.01 . 1 . . . . 58 ARG HG2 . 27041 1 490 . 1 1 58 58 ARG CA C 13 59.60 0.01 . 1 . . . . 58 ARG CA . 27041 1 491 . 1 1 58 58 ARG CB C 13 29.60 0.01 . 1 . . . . 58 ARG CB . 27041 1 492 . 1 1 58 58 ARG N N 15 118.30 0.01 . 1 . . . . 58 ARG N . 27041 1 493 . 1 1 59 59 MET H H 1 7.36 0.01 . 1 . . . . 59 MET H . 27041 1 494 . 1 1 59 59 MET HA H 1 3.97 0.01 . 1 . . . . 59 MET HA . 27041 1 495 . 1 1 59 59 MET HB2 H 1 1.93 0.01 . 2 . . . . 59 MET HB2 . 27041 1 496 . 1 1 59 59 MET HB3 H 1 2.48 0.01 . 2 . . . . 59 MET HB3 . 27041 1 497 . 1 1 59 59 MET HG2 H 1 2.70 0.01 . 2 . . . . 59 MET HG2 . 27041 1 498 . 1 1 59 59 MET HG3 H 1 2.82 0.01 . 2 . . . . 59 MET HG3 . 27041 1 499 . 1 1 59 59 MET CA C 13 58.50 0.01 . 1 . . . . 59 MET CA . 27041 1 500 . 1 1 59 59 MET CB C 13 32.00 0.01 . 1 . . . . 59 MET CB . 27041 1 501 . 1 1 59 59 MET N N 15 116.50 0.01 . 1 . . . . 59 MET N . 27041 1 502 . 1 1 60 60 LEU H H 1 7.72 0.01 . 1 . . . . 60 LEU H . 27041 1 503 . 1 1 60 60 LEU HA H 1 3.78 0.01 . 1 . . . . 60 LEU HA . 27041 1 504 . 1 1 60 60 LEU HB2 H 1 1.78 0.01 . 2 . . . . 60 LEU HB2 . 27041 1 505 . 1 1 60 60 LEU HB3 H 1 1.96 0.01 . 2 . . . . 60 LEU HB3 . 27041 1 506 . 1 1 60 60 LEU HG H 1 1.55 0.01 . 1 . . . . 60 LEU HG . 27041 1 507 . 1 1 60 60 LEU HD11 H 1 0.77 0.01 . 2 . . . . 60 LEU MD1 . 27041 1 508 . 1 1 60 60 LEU HD12 H 1 0.77 0.01 . 2 . . . . 60 LEU MD1 . 27041 1 509 . 1 1 60 60 LEU HD13 H 1 0.77 0.01 . 2 . . . . 60 LEU MD1 . 27041 1 510 . 1 1 60 60 LEU HD21 H 1 1.09 0.01 . 2 . . . . 60 LEU MD2 . 27041 1 511 . 1 1 60 60 LEU HD22 H 1 1.09 0.01 . 2 . . . . 60 LEU MD2 . 27041 1 512 . 1 1 60 60 LEU HD23 H 1 1.09 0.01 . 2 . . . . 60 LEU MD2 . 27041 1 513 . 1 1 60 60 LEU CA C 13 58.40 0.01 . 1 . . . . 60 LEU CA . 27041 1 514 . 1 1 60 60 LEU CB C 13 42.00 0.01 . 1 . . . . 60 LEU CB . 27041 1 515 . 1 1 60 60 LEU N N 15 119.60 0.01 . 1 . . . . 60 LEU N . 27041 1 516 . 1 1 61 61 VAL H H 1 7.95 0.01 . 1 . . . . 61 VAL H . 27041 1 517 . 1 1 61 61 VAL HA H 1 4.09 0.01 . 1 . . . . 61 VAL HA . 27041 1 518 . 1 1 61 61 VAL HB H 1 2.47 0.01 . 1 . . . . 61 VAL HB . 27041 1 519 . 1 1 61 61 VAL HG11 H 1 0.95 0.01 . 2 . . . . 61 VAL MG1 . 27041 1 520 . 1 1 61 61 VAL HG12 H 1 0.95 0.01 . 2 . . . . 61 VAL MG1 . 27041 1 521 . 1 1 61 61 VAL HG13 H 1 0.95 0.01 . 2 . . . . 61 VAL MG1 . 27041 1 522 . 1 1 61 61 VAL HG21 H 1 1.10 0.01 . 2 . . . . 61 VAL MG2 . 27041 1 523 . 1 1 61 61 VAL HG22 H 1 1.10 0.01 . 2 . . . . 61 VAL MG2 . 27041 1 524 . 1 1 61 61 VAL HG23 H 1 1.10 0.01 . 2 . . . . 61 VAL MG2 . 27041 1 525 . 1 1 61 61 VAL CA C 13 67.20 0.01 . 1 . . . . 61 VAL CA . 27041 1 526 . 1 1 61 61 VAL CB C 13 30.90 0.01 . 1 . . . . 61 VAL CB . 27041 1 527 . 1 1 61 61 VAL N N 15 120.30 0.01 . 1 . . . . 61 VAL N . 27041 1 528 . 1 1 62 62 ASP H H 1 8.65 0.01 . 1 . . . . 62 ASP H . 27041 1 529 . 1 1 62 62 ASP HA H 1 3.73 0.01 . 1 . . . . 62 ASP HA . 27041 1 530 . 1 1 62 62 ASP HB2 H 1 2.63 0.01 . 2 . . . . 62 ASP HB2 . 27041 1 531 . 1 1 62 62 ASP HB3 H 1 2.83 0.01 . 2 . . . . 62 ASP HB3 . 27041 1 532 . 1 1 62 62 ASP CA C 13 57.70 0.01 . 1 . . . . 62 ASP CA . 27041 1 533 . 1 1 62 62 ASP CB C 13 41.70 0.01 . 1 . . . . 62 ASP CB . 27041 1 534 . 1 1 62 62 ASP N N 15 121.70 0.01 . 1 . . . . 62 ASP N . 27041 1 535 . 1 1 63 63 ASN H H 1 8.07 0.01 . 1 . . . . 63 ASN H . 27041 1 536 . 1 1 63 63 ASN HA H 1 4.50 0.01 . 1 . . . . 63 ASN HA . 27041 1 537 . 1 1 63 63 ASN HB2 H 1 2.47 0.01 . 2 . . . . 63 ASN HB2 . 27041 1 538 . 1 1 63 63 ASN HB3 H 1 2.70 0.01 . 2 . . . . 63 ASN HB3 . 27041 1 539 . 1 1 63 63 ASN CA C 13 56.40 0.01 . 1 . . . . 63 ASN CA . 27041 1 540 . 1 1 63 63 ASN CB C 13 37.80 0.01 . 1 . . . . 63 ASN CB . 27041 1 541 . 1 1 63 63 ASN N N 15 116.10 0.01 . 1 . . . . 63 ASN N . 27041 1 542 . 1 1 64 64 ARG H H 1 7.75 0.01 . 1 . . . . 64 ARG H . 27041 1 543 . 1 1 64 64 ARG HA H 1 3.85 0.01 . 1 . . . . 64 ARG HA . 27041 1 544 . 1 1 64 64 ARG HB2 H 1 1.93 0.01 . 2 . . . . 64 ARG HB2 . 27041 1 545 . 1 1 64 64 ARG HB3 H 1 2.20 0.01 . 2 . . . . 64 ARG HB3 . 27041 1 546 . 1 1 64 64 ARG HG2 H 1 1.83 0.01 . 1 . . . . 64 ARG HG2 . 27041 1 547 . 1 1 64 64 ARG CA C 13 58.10 0.01 . 1 . . . . 64 ARG CA . 27041 1 548 . 1 1 64 64 ARG CB C 13 30.10 0.01 . 1 . . . . 64 ARG CB . 27041 1 549 . 1 1 64 64 ARG N N 15 122.50 0.01 . 1 . . . . 64 ARG N . 27041 1 550 . 1 1 65 65 LEU H H 1 7.82 0.01 . 1 . . . . 65 LEU H . 27041 1 551 . 1 1 65 65 LEU HA H 1 3.95 0.01 . 1 . . . . 65 LEU HA . 27041 1 552 . 1 1 65 65 LEU HB2 H 1 1.56 0.01 . 2 . . . . 65 LEU HB2 . 27041 1 553 . 1 1 65 65 LEU HB3 H 1 1.93 0.01 . 2 . . . . 65 LEU HB3 . 27041 1 554 . 1 1 65 65 LEU HG H 1 1.46 0.01 . 1 . . . . 65 LEU HG . 27041 1 555 . 1 1 65 65 LEU HD11 H 1 0.72 0.01 . 2 . . . . 65 LEU MD1 . 27041 1 556 . 1 1 65 65 LEU HD12 H 1 0.72 0.01 . 2 . . . . 65 LEU MD1 . 27041 1 557 . 1 1 65 65 LEU HD13 H 1 0.72 0.01 . 2 . . . . 65 LEU MD1 . 27041 1 558 . 1 1 65 65 LEU HD21 H 1 0.87 0.01 . 2 . . . . 65 LEU MD2 . 27041 1 559 . 1 1 65 65 LEU HD22 H 1 0.87 0.01 . 2 . . . . 65 LEU MD2 . 27041 1 560 . 1 1 65 65 LEU HD23 H 1 0.87 0.01 . 2 . . . . 65 LEU MD2 . 27041 1 561 . 1 1 65 65 LEU CA C 13 55.10 0.01 . 1 . . . . 65 LEU CA . 27041 1 562 . 1 1 65 65 LEU CB C 13 40.90 0.01 . 1 . . . . 65 LEU CB . 27041 1 563 . 1 1 65 65 LEU N N 15 117.60 0.01 . 1 . . . . 65 LEU N . 27041 1 564 . 1 1 66 66 ARG H H 1 7.97 0.01 . 1 . . . . 66 ARG H . 27041 1 565 . 1 1 66 66 ARG HA H 1 3.55 0.01 . 1 . . . . 66 ARG HA . 27041 1 566 . 1 1 66 66 ARG HB2 H 1 1.95 0.01 . 1 . . . . 66 ARG HB2 . 27041 1 567 . 1 1 66 66 ARG HG2 H 1 1.57 0.01 . 1 . . . . 66 ARG HG2 . 27041 1 568 . 1 1 66 66 ARG CA C 13 60.60 0.01 . 1 . . . . 66 ARG CA . 27041 1 569 . 1 1 66 66 ARG CB C 13 28.50 0.01 . 1 . . . . 66 ARG CB . 27041 1 570 . 1 1 66 66 ARG N N 15 121.70 0.01 . 1 . . . . 66 ARG N . 27041 1 571 . 1 1 67 67 GLN H H 1 8.32 0.01 . 1 . . . . 67 GLN H . 27041 1 572 . 1 1 67 67 GLN HA H 1 3.73 0.01 . 1 . . . . 67 GLN HA . 27041 1 573 . 1 1 67 67 GLN HB2 H 1 1.91 0.01 . 2 . . . . 67 GLN HB2 . 27041 1 574 . 1 1 67 67 GLN HB3 H 1 2.19 0.01 . 2 . . . . 67 GLN HB3 . 27041 1 575 . 1 1 67 67 GLN HG2 H 1 2.61 0.01 . 2 . . . . 67 GLN HG2 . 27041 1 576 . 1 1 67 67 GLN HG3 H 1 2.72 0.01 . 2 . . . . 67 GLN HG3 . 27041 1 577 . 1 1 67 67 GLN CA C 13 62.30 0.01 . 1 . . . . 67 GLN CA . 27041 1 578 . 1 1 67 67 GLN CB C 13 38.50 0.01 . 1 . . . . 67 GLN CB . 27041 1 579 . 1 1 67 67 GLN N N 15 120.70 0.01 . 1 . . . . 67 GLN N . 27041 1 580 . 1 1 68 68 LEU H H 1 8.65 0.01 . 1 . . . . 68 LEU H . 27041 1 581 . 1 1 68 68 LEU HA H 1 3.96 0.01 . 1 . . . . 68 LEU HA . 27041 1 582 . 1 1 68 68 LEU HB2 H 1 1.98 0.01 . 1 . . . . 68 LEU HB2 . 27041 1 583 . 1 1 68 68 LEU HG H 1 1.41 0.01 . 1 . . . . 68 LEU HG . 27041 1 584 . 1 1 68 68 LEU HD11 H 1 0.87 0.01 . 2 . . . . 68 LEU MD1 . 27041 1 585 . 1 1 68 68 LEU HD12 H 1 0.87 0.01 . 2 . . . . 68 LEU MD1 . 27041 1 586 . 1 1 68 68 LEU HD13 H 1 0.87 0.01 . 2 . . . . 68 LEU MD1 . 27041 1 587 . 1 1 68 68 LEU HD21 H 1 1.29 0.01 . 2 . . . . 68 LEU MD2 . 27041 1 588 . 1 1 68 68 LEU HD22 H 1 1.29 0.01 . 2 . . . . 68 LEU MD2 . 27041 1 589 . 1 1 68 68 LEU HD23 H 1 1.29 0.01 . 2 . . . . 68 LEU MD2 . 27041 1 590 . 1 1 68 68 LEU CA C 13 56.10 0.01 . 1 . . . . 68 LEU CA . 27041 1 591 . 1 1 68 68 LEU CB C 13 37.50 0.01 . 1 . . . . 68 LEU CB . 27041 1 592 . 1 1 68 68 LEU N N 15 117.20 0.01 . 1 . . . . 68 LEU N . 27041 1 593 . 1 1 69 69 ARG H H 1 7.81 0.01 . 1 . . . . 69 ARG H . 27041 1 594 . 1 1 69 69 ARG HA H 1 3.77 0.01 . 1 . . . . 69 ARG HA . 27041 1 595 . 1 1 69 69 ARG HB2 H 1 1.98 0.01 . 1 . . . . 69 ARG HB2 . 27041 1 596 . 1 1 69 69 ARG HG2 H 1 1.75 0.01 . 1 . . . . 69 ARG HG2 . 27041 1 597 . 1 1 69 69 ARG CA C 13 59.10 0.01 . 1 . . . . 69 ARG CA . 27041 1 598 . 1 1 69 69 ARG CB C 13 28.60 0.01 . 1 . . . . 69 ARG CB . 27041 1 599 . 1 1 69 69 ARG N N 15 119.30 0.01 . 1 . . . . 69 ARG N . 27041 1 600 . 1 1 70 70 ARG H H 1 7.52 0.01 . 1 . . . . 70 ARG H . 27041 1 601 . 1 1 70 70 ARG HA H 1 3.90 0.01 . 1 . . . . 70 ARG HA . 27041 1 602 . 1 1 70 70 ARG HB2 H 1 1.84 0.01 . 2 . . . . 70 ARG HB2 . 27041 1 603 . 1 1 70 70 ARG HB3 H 1 2.12 0.01 . 2 . . . . 70 ARG HB3 . 27041 1 604 . 1 1 70 70 ARG HG2 H 1 1.66 0.01 . 2 . . . . 70 ARG HG2 . 27041 1 605 . 1 1 70 70 ARG HG3 H 1 1.76 0.01 . 2 . . . . 70 ARG HG3 . 27041 1 606 . 1 1 70 70 ARG CA C 13 58.30 0.01 . 1 . . . . 70 ARG CA . 27041 1 607 . 1 1 70 70 ARG CB C 13 30.00 0.01 . 1 . . . . 70 ARG CB . 27041 1 608 . 1 1 70 70 ARG N N 15 119.60 0.01 . 1 . . . . 70 ARG N . 27041 1 609 . 1 1 71 71 ASP H H 1 7.96 0.01 . 1 . . . . 71 ASP H . 27041 1 610 . 1 1 71 71 ASP HA H 1 4.06 0.01 . 1 . . . . 71 ASP HA . 27041 1 611 . 1 1 71 71 ASP HB2 H 1 2.39 0.01 . 2 . . . . 71 ASP HB2 . 27041 1 612 . 1 1 71 71 ASP HB3 H 1 2.55 0.01 . 2 . . . . 71 ASP HB3 . 27041 1 613 . 1 1 71 71 ASP CA C 13 56.50 0.01 . 1 . . . . 71 ASP CA . 27041 1 614 . 1 1 71 71 ASP CB C 13 37.60 0.01 . 1 . . . . 71 ASP CB . 27041 1 615 . 1 1 71 71 ASP N N 15 118.00 0.01 . 1 . . . . 71 ASP N . 27041 1 616 . 1 1 72 72 ALA H H 1 7.95 0.01 . 1 . . . . 72 ALA H . 27041 1 617 . 1 1 72 72 ALA HA H 1 4.05 0.01 . 1 . . . . 72 ALA HA . 27041 1 618 . 1 1 72 72 ALA HB1 H 1 1.35 0.01 . 1 . . . . 72 ALA MB . 27041 1 619 . 1 1 72 72 ALA HB2 H 1 1.35 0.01 . 1 . . . . 72 ALA MB . 27041 1 620 . 1 1 72 72 ALA HB3 H 1 1.35 0.01 . 1 . . . . 72 ALA MB . 27041 1 621 . 1 1 72 72 ALA CA C 13 52.80 0.01 . 1 . . . . 72 ALA CA . 27041 1 622 . 1 1 72 72 ALA CB C 13 18.40 0.01 . 1 . . . . 72 ALA CB . 27041 1 623 . 1 1 72 72 ALA N N 15 121.50 0.01 . 1 . . . . 72 ALA N . 27041 1 624 . 1 1 73 73 SER H H 1 8.06 0.01 . 1 . . . . 73 SER H . 27041 1 625 . 1 1 73 73 SER HA H 1 4.50 0.01 . 1 . . . . 73 SER HA . 27041 1 626 . 1 1 73 73 SER HB2 H 1 3.68 0.01 . 2 . . . . 73 SER HB2 . 27041 1 627 . 1 1 73 73 SER HB3 H 1 3.80 0.01 . 2 . . . . 73 SER HB3 . 27041 1 628 . 1 1 73 73 SER CA C 13 56.50 0.01 . 1 . . . . 73 SER CA . 27041 1 629 . 1 1 73 73 SER CB C 13 62.50 0.01 . 1 . . . . 73 SER CB . 27041 1 630 . 1 1 73 73 SER N N 15 115.20 0.01 . 1 . . . . 73 SER N . 27041 1 631 . 1 1 74 74 LEU H H 1 7.81 0.01 . 1 . . . . 74 LEU H . 27041 1 632 . 1 1 74 74 LEU HA H 1 4.32 0.01 . 1 . . . . 74 LEU HA . 27041 1 633 . 1 1 74 74 LEU HB2 H 1 1.83 0.01 . 2 . . . . 74 LEU HB2 . 27041 1 634 . 1 1 74 74 LEU HB3 H 1 1.98 0.01 . 2 . . . . 74 LEU HB3 . 27041 1 635 . 1 1 74 74 LEU HG H 1 1.72 0.01 . 1 . . . . 74 LEU HG . 27041 1 636 . 1 1 74 74 LEU HD11 H 1 0.69 0.01 . 2 . . . . 74 LEU MD1 . 27041 1 637 . 1 1 74 74 LEU HD12 H 1 0.69 0.01 . 2 . . . . 74 LEU MD1 . 27041 1 638 . 1 1 74 74 LEU HD13 H 1 0.69 0.01 . 2 . . . . 74 LEU MD1 . 27041 1 639 . 1 1 74 74 LEU HD21 H 1 0.74 0.01 . 2 . . . . 74 LEU MD2 . 27041 1 640 . 1 1 74 74 LEU HD22 H 1 0.74 0.01 . 2 . . . . 74 LEU MD2 . 27041 1 641 . 1 1 74 74 LEU HD23 H 1 0.74 0.01 . 2 . . . . 74 LEU MD2 . 27041 1 642 . 1 1 74 74 LEU CA C 13 57.90 0.01 . 1 . . . . 74 LEU CA . 27041 1 643 . 1 1 74 74 LEU CB C 13 41.40 0.01 . 1 . . . . 74 LEU CB . 27041 1 644 . 1 1 74 74 LEU N N 15 122.20 0.01 . 1 . . . . 74 LEU N . 27041 1 645 . 1 1 75 75 GLN H H 1 8.31 0.01 . 1 . . . . 75 GLN H . 27041 1 646 . 1 1 75 75 GLN HA H 1 4.22 0.01 . 1 . . . . 75 GLN HA . 27041 1 647 . 1 1 75 75 GLN HB2 H 1 1.98 0.01 . 1 . . . . 75 GLN HB2 . 27041 1 648 . 1 1 75 75 GLN CA C 13 59.70 0.01 . 1 . . . . 75 GLN CA . 27041 1 649 . 1 1 75 75 GLN CB C 13 27.40 0.01 . 1 . . . . 75 GLN CB . 27041 1 650 . 1 1 75 75 GLN N N 15 119.20 0.01 . 1 . . . . 75 GLN N . 27041 1 651 . 1 1 76 76 GLU H H 1 8.39 0.01 . 1 . . . . 76 GLU H . 27041 1 652 . 1 1 76 76 GLU HA H 1 4.08 0.01 . 1 . . . . 76 GLU HA . 27041 1 653 . 1 1 76 76 GLU HB2 H 1 1.98 0.01 . 2 . . . . 76 GLU HB2 . 27041 1 654 . 1 1 76 76 GLU HB3 H 1 2.15 0.01 . 2 . . . . 76 GLU HB3 . 27041 1 655 . 1 1 76 76 GLU HG2 H 1 2.67 0.01 . 1 . . . . 76 GLU HG2 . 27041 1 656 . 1 1 76 76 GLU CA C 13 59.80 0.01 . 1 . . . . 76 GLU CA . 27041 1 657 . 1 1 76 76 GLU CB C 13 29.60 0.01 . 1 . . . . 76 GLU CB . 27041 1 658 . 1 1 76 76 GLU N N 15 120.70 0.01 . 1 . . . . 76 GLU N . 27041 1 659 . 1 1 77 77 TYR H H 1 8.70 0.01 . 1 . . . . 77 TYR H . 27041 1 660 . 1 1 77 77 TYR HB2 H 1 2.86 0.01 . 1 . . . . 77 TYR HB2 . 27041 1 661 . 1 1 77 77 TYR HD1 H 1 6.98 0.01 . 1 . . . . 77 TYR HD1 . 27041 1 662 . 1 1 77 77 TYR HE1 H 1 6.67 0.01 . 1 . . . . 77 TYR HE1 . 27041 1 663 . 1 1 77 77 TYR CA C 13 56.20 0.01 . 1 . . . . 77 TYR CA . 27041 1 664 . 1 1 77 77 TYR CB C 13 37.10 0.01 . 1 . . . . 77 TYR CB . 27041 1 665 . 1 1 77 77 TYR N N 15 116.50 0.01 . 1 . . . . 77 TYR N . 27041 1 666 . 1 1 78 78 ASN H H 1 8.70 0.01 . 1 . . . . 78 ASN H . 27041 1 667 . 1 1 78 78 ASN HA H 1 4.63 0.01 . 1 . . . . 78 ASN HA . 27041 1 668 . 1 1 78 78 ASN HB2 H 1 2.48 0.01 . 2 . . . . 78 ASN HB2 . 27041 1 669 . 1 1 78 78 ASN HB3 H 1 2.57 0.01 . 2 . . . . 78 ASN HB3 . 27041 1 670 . 1 1 78 78 ASN CA C 13 58.90 0.01 . 1 . . . . 78 ASN CA . 27041 1 671 . 1 1 78 78 ASN CB C 13 41.70 0.01 . 1 . . . . 78 ASN CB . 27041 1 672 . 1 1 78 78 ASN N N 15 121.00 0.01 . 1 . . . . 78 ASN N . 27041 1 673 . 1 1 79 79 GLN H H 1 7.61 0.01 . 1 . . . . 79 GLN H . 27041 1 674 . 1 1 79 79 GLN HA H 1 3.92 0.01 . 1 . . . . 79 GLN HA . 27041 1 675 . 1 1 79 79 GLN HB2 H 1 1.70 0.01 . 2 . . . . 79 GLN HB2 . 27041 1 676 . 1 1 79 79 GLN HB3 H 1 1.92 0.01 . 2 . . . . 79 GLN HB3 . 27041 1 677 . 1 1 79 79 GLN HG2 H 1 2.24 0.01 . 2 . . . . 79 GLN HG2 . 27041 1 678 . 1 1 79 79 GLN HG3 H 1 2.65 0.01 . 2 . . . . 79 GLN HG3 . 27041 1 679 . 1 1 79 79 GLN CA C 13 58.70 0.01 . 1 . . . . 79 GLN CA . 27041 1 680 . 1 1 79 79 GLN CB C 13 28.50 0.01 . 1 . . . . 79 GLN CB . 27041 1 681 . 1 1 79 79 GLN N N 15 116.50 0.01 . 1 . . . . 79 GLN N . 27041 1 682 . 1 1 80 80 LEU H H 1 7.86 0.01 . 1 . . . . 80 LEU H . 27041 1 683 . 1 1 80 80 LEU HA H 1 4.35 0.01 . 1 . . . . 80 LEU HA . 27041 1 684 . 1 1 80 80 LEU HB2 H 1 1.33 0.01 . 2 . . . . 80 LEU HB2 . 27041 1 685 . 1 1 80 80 LEU HB3 H 1 1.74 0.01 . 2 . . . . 80 LEU HB3 . 27041 1 686 . 1 1 80 80 LEU HG H 1 1.55 0.01 . 1 . . . . 80 LEU HG . 27041 1 687 . 1 1 80 80 LEU HD11 H 1 0.72 0.01 . 2 . . . . 80 LEU MD1 . 27041 1 688 . 1 1 80 80 LEU HD12 H 1 0.72 0.01 . 2 . . . . 80 LEU MD1 . 27041 1 689 . 1 1 80 80 LEU HD13 H 1 0.72 0.01 . 2 . . . . 80 LEU MD1 . 27041 1 690 . 1 1 80 80 LEU HD21 H 1 0.97 0.01 . 2 . . . . 80 LEU MD2 . 27041 1 691 . 1 1 80 80 LEU HD22 H 1 0.97 0.01 . 2 . . . . 80 LEU MD2 . 27041 1 692 . 1 1 80 80 LEU HD23 H 1 0.97 0.01 . 2 . . . . 80 LEU MD2 . 27041 1 693 . 1 1 80 80 LEU CA C 13 57.90 0.01 . 1 . . . . 80 LEU CA . 27041 1 694 . 1 1 80 80 LEU CB C 13 39.70 0.01 . 1 . . . . 80 LEU CB . 27041 1 695 . 1 1 80 80 LEU N N 15 121.03 0.01 . 1 . . . . 80 LEU N . 27041 1 696 . 1 1 81 81 GLN H H 1 8.70 0.01 . 1 . . . . 81 GLN H . 27041 1 697 . 1 1 81 81 GLN HA H 1 3.70 0.01 . 1 . . . . 81 GLN HA . 27041 1 698 . 1 1 81 81 GLN HB2 H 1 1.92 0.01 . 2 . . . . 81 GLN HB2 . 27041 1 699 . 1 1 81 81 GLN HB3 H 1 2.28 0.01 . 2 . . . . 81 GLN HB3 . 27041 1 700 . 1 1 81 81 GLN HG2 H 1 2.34 0.01 . 2 . . . . 81 GLN HG2 . 27041 1 701 . 1 1 81 81 GLN HG3 H 1 2.46 0.01 . 2 . . . . 81 GLN HG3 . 27041 1 702 . 1 1 81 81 GLN CA C 13 59.50 0.01 . 1 . . . . 81 GLN CA . 27041 1 703 . 1 1 81 81 GLN CB C 13 28.20 0.01 . 1 . . . . 81 GLN CB . 27041 1 704 . 1 1 81 81 GLN N N 15 121.03 0.01 . 1 . . . . 81 GLN N . 27041 1 705 . 1 1 82 82 GLN H H 1 7.28 0.01 . 1 . . . . 82 GLN H . 27041 1 706 . 1 1 82 82 GLN HA H 1 3.95 0.01 . 1 . . . . 82 GLN HA . 27041 1 707 . 1 1 82 82 GLN HB2 H 1 2.03 0.01 . 2 . . . . 82 GLN HB2 . 27041 1 708 . 1 1 82 82 GLN HB3 H 1 2.24 0.01 . 2 . . . . 82 GLN HB3 . 27041 1 709 . 1 1 82 82 GLN HG2 H 1 2.45 0.01 . 2 . . . . 82 GLN HG2 . 27041 1 710 . 1 1 82 82 GLN HG3 H 1 2.68 0.01 . 2 . . . . 82 GLN HG3 . 27041 1 711 . 1 1 82 82 GLN CA C 13 58.80 0.01 . 1 . . . . 82 GLN CA . 27041 1 712 . 1 1 82 82 GLN CB C 13 28.00 0.01 . 1 . . . . 82 GLN CB . 27041 1 713 . 1 1 82 82 GLN N N 15 117.60 0.01 . 1 . . . . 82 GLN N . 27041 1 714 . 1 1 83 83 VAL H H 1 7.42 0.01 . 1 . . . . 83 VAL H . 27041 1 715 . 1 1 83 83 VAL HA H 1 3.64 0.01 . 1 . . . . 83 VAL HA . 27041 1 716 . 1 1 83 83 VAL HB H 1 2.15 0.01 . 1 . . . . 83 VAL HB . 27041 1 717 . 1 1 83 83 VAL HG11 H 1 0.95 0.01 . 2 . . . . 83 VAL MG1 . 27041 1 718 . 1 1 83 83 VAL HG12 H 1 0.95 0.01 . 2 . . . . 83 VAL MG1 . 27041 1 719 . 1 1 83 83 VAL HG13 H 1 0.95 0.01 . 2 . . . . 83 VAL MG1 . 27041 1 720 . 1 1 83 83 VAL HG21 H 1 1.03 0.01 . 2 . . . . 83 VAL MG2 . 27041 1 721 . 1 1 83 83 VAL HG22 H 1 1.03 0.01 . 2 . . . . 83 VAL MG2 . 27041 1 722 . 1 1 83 83 VAL HG23 H 1 1.03 0.01 . 2 . . . . 83 VAL MG2 . 27041 1 723 . 1 1 83 83 VAL CA C 13 66.00 0.01 . 1 . . . . 83 VAL CA . 27041 1 724 . 1 1 83 83 VAL CB C 13 32.30 0.01 . 1 . . . . 83 VAL CB . 27041 1 725 . 1 1 83 83 VAL N N 15 120.60 0.01 . 1 . . . . 83 VAL N . 27041 1 726 . 1 1 84 84 PHE H H 1 9.42 0.01 . 1 . . . . 84 PHE H . 27041 1 727 . 1 1 84 84 PHE HA H 1 3.78 0.01 . 1 . . . . 84 PHE HA . 27041 1 728 . 1 1 84 84 PHE HB2 H 1 2.90 0.01 . 2 . . . . 84 PHE HB2 . 27041 1 729 . 1 1 84 84 PHE HB3 H 1 3.36 0.01 . 2 . . . . 84 PHE HB3 . 27041 1 730 . 1 1 84 84 PHE HD1 H 1 6.93 0.01 . 1 . . . . 84 PHE HD1 . 27041 1 731 . 1 1 84 84 PHE HE1 H 1 6.57 0.01 . 1 . . . . 84 PHE HE1 . 27041 1 732 . 1 1 84 84 PHE HZ H 1 6.32 0.01 . 1 . . . . 84 PHE HZ . 27041 1 733 . 1 1 84 84 PHE CA C 13 62.10 0.01 . 1 . . . . 84 PHE CA . 27041 1 734 . 1 1 84 84 PHE CB C 13 39.70 0.01 . 1 . . . . 84 PHE CB . 27041 1 735 . 1 1 84 84 PHE N N 15 125.00 0.01 . 1 . . . . 84 PHE N . 27041 1 736 . 1 1 85 85 LYS H H 1 8.20 0.01 . 1 . . . . 85 LYS H . 27041 1 737 . 1 1 85 85 LYS HA H 1 3.60 0.01 . 1 . . . . 85 LYS HA . 27041 1 738 . 1 1 85 85 LYS HB2 H 1 1.83 0.01 . 2 . . . . 85 LYS HB2 . 27041 1 739 . 1 1 85 85 LYS HB3 H 1 1.87 0.01 . 2 . . . . 85 LYS HB3 . 27041 1 740 . 1 1 85 85 LYS HG2 H 1 1.56 0.01 . 1 . . . . 85 LYS HG2 . 27041 1 741 . 1 1 85 85 LYS CA C 13 59.50 0.01 . 1 . . . . 85 LYS CA . 27041 1 742 . 1 1 85 85 LYS CB C 13 32.30 0.01 . 1 . . . . 85 LYS CB . 27041 1 743 . 1 1 85 85 LYS N N 15 119.60 0.01 . 1 . . . . 85 LYS N . 27041 1 744 . 1 1 86 86 GLN H H 1 7.60 0.01 . 1 . . . . 86 GLN H . 27041 1 745 . 1 1 86 86 GLN HA H 1 3.90 0.01 . 1 . . . . 86 GLN HA . 27041 1 746 . 1 1 86 86 GLN HB2 H 1 2.08 0.01 . 2 . . . . 86 GLN HB2 . 27041 1 747 . 1 1 86 86 GLN HB3 H 1 2.35 0.01 . 2 . . . . 86 GLN HB3 . 27041 1 748 . 1 1 86 86 GLN HG2 H 1 2.38 0.01 . 2 . . . . 86 GLN HG2 . 27041 1 749 . 1 1 86 86 GLN HG3 H 1 2.44 0.01 . 2 . . . . 86 GLN HG3 . 27041 1 750 . 1 1 86 86 GLN CA C 13 57.50 0.01 . 1 . . . . 86 GLN CA . 27041 1 751 . 1 1 86 86 GLN CB C 13 28.60 0.01 . 1 . . . . 86 GLN CB . 27041 1 752 . 1 1 86 86 GLN N N 15 115.00 0.01 . 1 . . . . 86 GLN N . 27041 1 753 . 1 1 87 87 THR H H 1 7.76 0.01 . 1 . . . . 87 THR H . 27041 1 754 . 1 1 87 87 THR HA H 1 3.63 0.01 . 1 . . . . 87 THR HA . 27041 1 755 . 1 1 87 87 THR HB H 1 3.79 0.01 . 1 . . . . 87 THR HB . 27041 1 756 . 1 1 87 87 THR HG21 H 1 0.18 0.01 . 1 . . . . 87 THR MG . 27041 1 757 . 1 1 87 87 THR HG22 H 1 0.18 0.01 . 1 . . . . 87 THR MG . 27041 1 758 . 1 1 87 87 THR HG23 H 1 0.18 0.01 . 1 . . . . 87 THR MG . 27041 1 759 . 1 1 87 87 THR CA C 13 65.90 0.01 . 1 . . . . 87 THR CA . 27041 1 760 . 1 1 87 87 THR CB C 13 70.00 0.01 . 1 . . . . 87 THR CB . 27041 1 761 . 1 1 87 87 THR N N 15 113.50 0.01 . 1 . . . . 87 THR N . 27041 1 762 . 1 1 88 88 PHE H H 1 7.85 0.01 . 1 . . . . 88 PHE H . 27041 1 763 . 1 1 88 88 PHE HA H 1 4.42 0.01 . 1 . . . . 88 PHE HA . 27041 1 764 . 1 1 88 88 PHE HB2 H 1 2.61 0.01 . 2 . . . . 88 PHE HB2 . 27041 1 765 . 1 1 88 88 PHE HB3 H 1 3.03 0.01 . 2 . . . . 88 PHE HB3 . 27041 1 766 . 1 1 88 88 PHE HD1 H 1 6.97 0.01 . 4 . . . . 88 PHE HD1 . 27041 1 767 . 1 1 88 88 PHE HE1 H 1 6.73 0.01 . 1 . . . . 88 PHE HE1 . 27041 1 768 . 1 1 88 88 PHE HZ H 1 7.00 0.01 . 4 . . . . 88 PHE HZ . 27041 1 769 . 1 1 88 88 PHE CA C 13 59.10 0.01 . 1 . . . . 88 PHE CA . 27041 1 770 . 1 1 88 88 PHE CB C 13 39.40 0.01 . 1 . . . . 88 PHE CB . 27041 1 771 . 1 1 88 88 PHE N N 15 116.00 0.01 . 1 . . . . 88 PHE N . 27041 1 772 . 1 1 89 89 LEU H H 1 7.08 0.01 . 1 . . . . 89 LEU H . 27041 1 773 . 1 1 89 89 LEU HA H 1 4.12 0.01 . 1 . . . . 89 LEU HA . 27041 1 774 . 1 1 89 89 LEU HB2 H 1 1.45 0.01 . 2 . . . . 89 LEU HB2 . 27041 1 775 . 1 1 89 89 LEU HB3 H 1 1.70 0.01 . 2 . . . . 89 LEU HB3 . 27041 1 776 . 1 1 89 89 LEU HG H 1 1.31 0.01 . 1 . . . . 89 LEU HG . 27041 1 777 . 1 1 89 89 LEU HD11 H 1 0.58 0.01 . 2 . . . . 89 LEU MD1 . 27041 1 778 . 1 1 89 89 LEU HD12 H 1 0.58 0.01 . 2 . . . . 89 LEU MD1 . 27041 1 779 . 1 1 89 89 LEU HD13 H 1 0.58 0.01 . 2 . . . . 89 LEU MD1 . 27041 1 780 . 1 1 89 89 LEU HD21 H 1 0.79 0.01 . 2 . . . . 89 LEU MD2 . 27041 1 781 . 1 1 89 89 LEU HD22 H 1 0.79 0.01 . 2 . . . . 89 LEU MD2 . 27041 1 782 . 1 1 89 89 LEU HD23 H 1 0.79 0.01 . 2 . . . . 89 LEU MD2 . 27041 1 783 . 1 1 89 89 LEU CA C 13 56.50 0.01 . 1 . . . . 89 LEU CA . 27041 1 784 . 1 1 89 89 LEU CB C 13 42.20 0.01 . 1 . . . . 89 LEU CB . 27041 1 785 . 1 1 89 89 LEU N N 15 126.00 0.01 . 1 . . . . 89 LEU N . 27041 1 stop_ save_