data_11404 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11404 _Entry.Title ; Solution structure of SH3 domain in Rho-GTPase-activating protein 4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-09 _Entry.Accession_date 2010-09-09 _Entry.Last_release_date 2011-09-08 _Entry.Original_release_date 2011-09-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _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 W. Tanabe . . . 11404 2 K. Tsuda . . . 11404 3 Y. Muto . . . 11404 4 M. Inoue . . . 11404 5 T. Kigawa . . . 11404 6 T. Terada . . . 11404 7 M. Shirouzu . . . 11404 8 S. Yokoyama . . . 11404 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 . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11404 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11404 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 301 11404 '15N chemical shifts' 67 11404 '1H chemical shifts' 464 11404 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-09-08 2010-09-09 original author . 11404 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11404 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of SH3 domain in Rho-GTPase-activating protein 4' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 W. Tanabe . . . 11404 1 2 K. Tsuda . . . 11404 1 3 Y. Muto . . . 11404 1 4 M. Inoue . . . 11404 1 5 T. Kigawa . . . 11404 1 6 T. Terada . . . 11404 1 7 M. Shirouzu . . . 11404 1 8 S. Yokoyama . . . 11404 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11404 _Assembly.ID 1 _Assembly.Name 'Rho GTPase-activating protein 4' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 'SH3 domain' 1 $entity_1 A . yes native no no . . . 11404 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2epd . . . . . . 11404 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11404 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SH3 domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGEGVVEAVACFAYT GRTAQELSFRRGDVLRLHER ASSDWWRGEHNGMRGLIPHK YITLPAGTEKQVVGAG ; _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 76 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 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 PDB 2EPD . "Solution Structure Of Sh3 Domain In Rho-Gtpase-Activating Protein 4" . . . . . 100.00 76 100.00 100.00 6.73e-47 . . . . 11404 1 2 no DBJ BAA09480 . "KIAA0131 [Homo sapiens]" . . . . . 90.79 942 100.00 100.00 1.63e-39 . . . . 11404 1 3 no DBJ BAG10298 . "Rho GTPase-activating protein 4 [synthetic construct]" . . . . . 90.79 946 100.00 100.00 1.78e-39 . . . . 11404 1 4 no DBJ BAH11812 . "unnamed protein product [Homo sapiens]" . . . . . 90.79 923 98.55 98.55 3.53e-38 . . . . 11404 1 5 no EMBL CAA55394 . "p115 [Homo sapiens]" . . . . . 90.79 946 100.00 100.00 1.69e-39 . . . . 11404 1 6 no EMBL CAA92213 . "C1 [Homo sapiens]" . . . . . 90.79 946 100.00 100.00 1.78e-39 . . . . 11404 1 7 no EMBL CAL37504 . "hypothetical protein [synthetic construct]" . . . . . 90.79 986 100.00 100.00 3.28e-39 . . . . 11404 1 8 no EMBL CAL38100 . "hypothetical protein [synthetic construct]" . . . . . 90.79 986 100.00 100.00 3.28e-39 . . . . 11404 1 9 no GB AAH23626 . "ARHGAP4 protein, partial [Homo sapiens]" . . . . . 90.79 356 100.00 100.00 2.62e-41 . . . . 11404 1 10 no GB AAH52303 . "ARHGAP4 protein [Homo sapiens]" . . . . . 90.79 986 100.00 100.00 3.28e-39 . . . . 11404 1 11 no GB EAW72777 . "Rho GTPase activating protein 4, isoform CRA_a [Homo sapiens]" . . . . . 90.79 940 100.00 100.00 1.69e-39 . . . . 11404 1 12 no GB EAW72778 . "Rho GTPase activating protein 4, isoform CRA_b [Homo sapiens]" . . . . . 90.79 986 100.00 100.00 3.28e-39 . . . . 11404 1 13 no GB EAW72782 . "Rho GTPase activating protein 4, isoform CRA_f [Homo sapiens]" . . . . . 90.79 946 100.00 100.00 1.78e-39 . . . . 11404 1 14 no REF NP_001158213 . "rho GTPase-activating protein 4 isoform 1 [Homo sapiens]" . . . . . 90.79 986 100.00 100.00 3.28e-39 . . . . 11404 1 15 no REF NP_001657 . "rho GTPase-activating protein 4 isoform 2 [Homo sapiens]" . . . . . 90.79 946 100.00 100.00 1.78e-39 . . . . 11404 1 16 no REF XP_003317821 . "PREDICTED: rho GTPase-activating protein 4 isoform X1 [Pan troglodytes]" . . . . . 90.79 946 100.00 100.00 1.83e-39 . . . . 11404 1 17 no REF XP_003317822 . "PREDICTED: rho GTPase-activating protein 4 isoform X5 [Pan troglodytes]" . . . . . 90.79 986 100.00 100.00 3.32e-39 . . . . 11404 1 18 no REF XP_003804875 . "PREDICTED: rho GTPase-activating protein 4 isoform X1 [Pan paniscus]" . . . . . 90.79 946 100.00 100.00 1.83e-39 . . . . 11404 1 19 no SP P98171 . "RecName: Full=Rho GTPase-activating protein 4; AltName: Full=Rho-GAP hematopoietic protein C1; AltName: Full=Rho-type GTPase-ac" . . . . . 90.79 946 100.00 100.00 1.78e-39 . . . . 11404 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' . 11404 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 . 11404 1 2 . SER . 11404 1 3 . SER . 11404 1 4 . GLY . 11404 1 5 . SER . 11404 1 6 . SER . 11404 1 7 . GLY . 11404 1 8 . GLU . 11404 1 9 . GLY . 11404 1 10 . VAL . 11404 1 11 . VAL . 11404 1 12 . GLU . 11404 1 13 . ALA . 11404 1 14 . VAL . 11404 1 15 . ALA . 11404 1 16 . CYS . 11404 1 17 . PHE . 11404 1 18 . ALA . 11404 1 19 . TYR . 11404 1 20 . THR . 11404 1 21 . GLY . 11404 1 22 . ARG . 11404 1 23 . THR . 11404 1 24 . ALA . 11404 1 25 . GLN . 11404 1 26 . GLU . 11404 1 27 . LEU . 11404 1 28 . SER . 11404 1 29 . PHE . 11404 1 30 . ARG . 11404 1 31 . ARG . 11404 1 32 . GLY . 11404 1 33 . ASP . 11404 1 34 . VAL . 11404 1 35 . LEU . 11404 1 36 . ARG . 11404 1 37 . LEU . 11404 1 38 . HIS . 11404 1 39 . GLU . 11404 1 40 . ARG . 11404 1 41 . ALA . 11404 1 42 . SER . 11404 1 43 . SER . 11404 1 44 . ASP . 11404 1 45 . TRP . 11404 1 46 . TRP . 11404 1 47 . ARG . 11404 1 48 . GLY . 11404 1 49 . GLU . 11404 1 50 . HIS . 11404 1 51 . ASN . 11404 1 52 . GLY . 11404 1 53 . MET . 11404 1 54 . ARG . 11404 1 55 . GLY . 11404 1 56 . LEU . 11404 1 57 . ILE . 11404 1 58 . PRO . 11404 1 59 . HIS . 11404 1 60 . LYS . 11404 1 61 . TYR . 11404 1 62 . ILE . 11404 1 63 . THR . 11404 1 64 . LEU . 11404 1 65 . PRO . 11404 1 66 . ALA . 11404 1 67 . GLY . 11404 1 68 . THR . 11404 1 69 . GLU . 11404 1 70 . LYS . 11404 1 71 . GLN . 11404 1 72 . VAL . 11404 1 73 . VAL . 11404 1 74 . GLY . 11404 1 75 . ALA . 11404 1 76 . GLY . 11404 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 11404 1 . SER 2 2 11404 1 . SER 3 3 11404 1 . GLY 4 4 11404 1 . SER 5 5 11404 1 . SER 6 6 11404 1 . GLY 7 7 11404 1 . GLU 8 8 11404 1 . GLY 9 9 11404 1 . VAL 10 10 11404 1 . VAL 11 11 11404 1 . GLU 12 12 11404 1 . ALA 13 13 11404 1 . VAL 14 14 11404 1 . ALA 15 15 11404 1 . CYS 16 16 11404 1 . PHE 17 17 11404 1 . ALA 18 18 11404 1 . TYR 19 19 11404 1 . THR 20 20 11404 1 . GLY 21 21 11404 1 . ARG 22 22 11404 1 . THR 23 23 11404 1 . ALA 24 24 11404 1 . GLN 25 25 11404 1 . GLU 26 26 11404 1 . LEU 27 27 11404 1 . SER 28 28 11404 1 . PHE 29 29 11404 1 . ARG 30 30 11404 1 . ARG 31 31 11404 1 . GLY 32 32 11404 1 . ASP 33 33 11404 1 . VAL 34 34 11404 1 . LEU 35 35 11404 1 . ARG 36 36 11404 1 . LEU 37 37 11404 1 . HIS 38 38 11404 1 . GLU 39 39 11404 1 . ARG 40 40 11404 1 . ALA 41 41 11404 1 . SER 42 42 11404 1 . SER 43 43 11404 1 . ASP 44 44 11404 1 . TRP 45 45 11404 1 . TRP 46 46 11404 1 . ARG 47 47 11404 1 . GLY 48 48 11404 1 . GLU 49 49 11404 1 . HIS 50 50 11404 1 . ASN 51 51 11404 1 . GLY 52 52 11404 1 . MET 53 53 11404 1 . ARG 54 54 11404 1 . GLY 55 55 11404 1 . LEU 56 56 11404 1 . ILE 57 57 11404 1 . PRO 58 58 11404 1 . HIS 59 59 11404 1 . LYS 60 60 11404 1 . TYR 61 61 11404 1 . ILE 62 62 11404 1 . THR 63 63 11404 1 . LEU 64 64 11404 1 . PRO 65 65 11404 1 . ALA 66 66 11404 1 . GLY 67 67 11404 1 . THR 68 68 11404 1 . GLU 69 69 11404 1 . LYS 70 70 11404 1 . GLN 71 71 11404 1 . VAL 72 72 11404 1 . VAL 73 73 11404 1 . GLY 74 74 11404 1 . ALA 75 75 11404 1 . GLY 76 76 11404 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 11404 _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 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11404 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 11404 _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 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P060130-05 . . . . . . 11404 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11404 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.14mM 13C-15N PROTEIN, 20mM d-Tris-HCl (pH7.0), 100mM NaCl, 1mM d-DTT, 0.02% NaN3, 0.05mM ZnCl2, 1mM {IDA;} 90% H2O, 10% D2O ; _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 'SH3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.14 . . mM . . . . 11404 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11404 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11404 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11404 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11404 1 6 ZnCl2 'natural abundance' . . . . . salt 0.05 . . mM . . . . 11404 1 7 IDA 'natural abundance' . . . . . salt 1 . . mM . . . . 11404 1 8 H2O . . . . . . solvent 90 . . % . . . . 11404 1 9 D2O . . . . . . solvent 10 . . % . . . . 11404 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11404 _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' 120 0.1 mM 11404 1 pH 7.0 0.05 pH 11404 1 pressure 1 0.001 atm 11404 1 temperature 298 0.1 K 11404 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11404 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11404 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11404 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11404 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20060702 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio F.' . . 11404 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11404 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11404 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson B.A.' . . 11404 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11404 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11404 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9820 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi N.' . . 11404 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11404 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11404 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert P.' . . 11404 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11404 5 'structure solution' 11404 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 11404 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _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 11404 _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 . 800 . . . 11404 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 11404 _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 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11404 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11404 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11404 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 11404 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11404 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11404 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11404 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11404 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11404 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 $XWINNMR . . 11404 1 2 $NMRPipe . . 11404 1 3 $NMRView . . 11404 1 4 $Kujira . . 11404 1 5 $CYANA . . 11404 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 7 7 GLY HA2 H 1 3.960 0.030 . 1 . . . . 7 GLY HA2 . 11404 1 2 . 1 1 7 7 GLY HA3 H 1 3.960 0.030 . 1 . . . . 7 GLY HA3 . 11404 1 3 . 1 1 7 7 GLY C C 13 174.223 0.300 . 1 . . . . 7 GLY C . 11404 1 4 . 1 1 7 7 GLY CA C 13 45.510 0.300 . 1 . . . . 7 GLY CA . 11404 1 5 . 1 1 8 8 GLU H H 1 8.321 0.030 . 1 . . . . 8 GLU H . 11404 1 6 . 1 1 8 8 GLU HA H 1 4.322 0.030 . 1 . . . . 8 GLU HA . 11404 1 7 . 1 1 8 8 GLU HB2 H 1 2.055 0.030 . 2 . . . . 8 GLU HB2 . 11404 1 8 . 1 1 8 8 GLU HB3 H 1 1.978 0.030 . 2 . . . . 8 GLU HB3 . 11404 1 9 . 1 1 8 8 GLU HG2 H 1 2.342 0.030 . 1 . . . . 8 GLU HG2 . 11404 1 10 . 1 1 8 8 GLU HG3 H 1 2.342 0.030 . 1 . . . . 8 GLU HG3 . 11404 1 11 . 1 1 8 8 GLU C C 13 174.279 0.300 . 1 . . . . 8 GLU C . 11404 1 12 . 1 1 8 8 GLU CA C 13 55.843 0.300 . 1 . . . . 8 GLU CA . 11404 1 13 . 1 1 8 8 GLU CB C 13 29.656 0.300 . 1 . . . . 8 GLU CB . 11404 1 14 . 1 1 8 8 GLU CG C 13 33.854 0.300 . 1 . . . . 8 GLU CG . 11404 1 15 . 1 1 8 8 GLU N N 15 120.618 0.300 . 1 . . . . 8 GLU N . 11404 1 16 . 1 1 9 9 GLY H H 1 8.553 0.030 . 1 . . . . 9 GLY H . 11404 1 17 . 1 1 9 9 GLY HA2 H 1 3.964 0.030 . 1 . . . . 9 GLY HA2 . 11404 1 18 . 1 1 9 9 GLY HA3 H 1 3.964 0.030 . 1 . . . . 9 GLY HA3 . 11404 1 19 . 1 1 9 9 GLY C C 13 173.647 0.300 . 1 . . . . 9 GLY C . 11404 1 20 . 1 1 9 9 GLY CA C 13 44.957 0.300 . 1 . . . . 9 GLY CA . 11404 1 21 . 1 1 9 9 GLY N N 15 110.310 0.300 . 1 . . . . 9 GLY N . 11404 1 22 . 1 1 10 10 VAL H H 1 7.819 0.030 . 1 . . . . 10 VAL H . 11404 1 23 . 1 1 10 10 VAL HA H 1 4.332 0.030 . 1 . . . . 10 VAL HA . 11404 1 24 . 1 1 10 10 VAL HB H 1 1.902 0.030 . 1 . . . . 10 VAL HB . 11404 1 25 . 1 1 10 10 VAL HG11 H 1 0.719 0.030 . 1 . . . . 10 VAL HG1 . 11404 1 26 . 1 1 10 10 VAL HG12 H 1 0.719 0.030 . 1 . . . . 10 VAL HG1 . 11404 1 27 . 1 1 10 10 VAL HG13 H 1 0.719 0.030 . 1 . . . . 10 VAL HG1 . 11404 1 28 . 1 1 10 10 VAL HG21 H 1 0.767 0.030 . 1 . . . . 10 VAL HG2 . 11404 1 29 . 1 1 10 10 VAL HG22 H 1 0.767 0.030 . 1 . . . . 10 VAL HG2 . 11404 1 30 . 1 1 10 10 VAL HG23 H 1 0.767 0.030 . 1 . . . . 10 VAL HG2 . 11404 1 31 . 1 1 10 10 VAL C C 13 175.757 0.300 . 1 . . . . 10 VAL C . 11404 1 32 . 1 1 10 10 VAL CA C 13 61.977 0.300 . 1 . . . . 10 VAL CA . 11404 1 33 . 1 1 10 10 VAL CB C 13 33.365 0.300 . 1 . . . . 10 VAL CB . 11404 1 34 . 1 1 10 10 VAL CG1 C 13 21.358 0.300 . 2 . . . . 10 VAL CG1 . 11404 1 35 . 1 1 10 10 VAL CG2 C 13 20.858 0.300 . 2 . . . . 10 VAL CG2 . 11404 1 36 . 1 1 10 10 VAL N N 15 119.807 0.300 . 1 . . . . 10 VAL N . 11404 1 37 . 1 1 11 11 VAL H H 1 8.217 0.030 . 1 . . . . 11 VAL H . 11404 1 38 . 1 1 11 11 VAL HA H 1 4.184 0.030 . 1 . . . . 11 VAL HA . 11404 1 39 . 1 1 11 11 VAL HB H 1 1.852 0.030 . 1 . . . . 11 VAL HB . 11404 1 40 . 1 1 11 11 VAL HG11 H 1 0.905 0.030 . 1 . . . . 11 VAL HG1 . 11404 1 41 . 1 1 11 11 VAL HG12 H 1 0.905 0.030 . 1 . . . . 11 VAL HG1 . 11404 1 42 . 1 1 11 11 VAL HG13 H 1 0.905 0.030 . 1 . . . . 11 VAL HG1 . 11404 1 43 . 1 1 11 11 VAL HG21 H 1 0.731 0.030 . 1 . . . . 11 VAL HG2 . 11404 1 44 . 1 1 11 11 VAL HG22 H 1 0.731 0.030 . 1 . . . . 11 VAL HG2 . 11404 1 45 . 1 1 11 11 VAL HG23 H 1 0.731 0.030 . 1 . . . . 11 VAL HG2 . 11404 1 46 . 1 1 11 11 VAL C C 13 174.536 0.300 . 1 . . . . 11 VAL C . 11404 1 47 . 1 1 11 11 VAL CA C 13 61.442 0.300 . 1 . . . . 11 VAL CA . 11404 1 48 . 1 1 11 11 VAL CB C 13 34.385 0.300 . 1 . . . . 11 VAL CB . 11404 1 49 . 1 1 11 11 VAL CG1 C 13 20.645 0.300 . 2 . . . . 11 VAL CG1 . 11404 1 50 . 1 1 11 11 VAL CG2 C 13 21.560 0.300 . 2 . . . . 11 VAL CG2 . 11404 1 51 . 1 1 11 11 VAL N N 15 126.163 0.300 . 1 . . . . 11 VAL N . 11404 1 52 . 1 1 12 12 GLU H H 1 8.407 0.030 . 1 . . . . 12 GLU H . 11404 1 53 . 1 1 12 12 GLU HA H 1 4.849 0.030 . 1 . . . . 12 GLU HA . 11404 1 54 . 1 1 12 12 GLU HB2 H 1 1.724 0.030 . 2 . . . . 12 GLU HB2 . 11404 1 55 . 1 1 12 12 GLU HB3 H 1 1.816 0.030 . 2 . . . . 12 GLU HB3 . 11404 1 56 . 1 1 12 12 GLU HG2 H 1 2.178 0.030 . 2 . . . . 12 GLU HG2 . 11404 1 57 . 1 1 12 12 GLU HG3 H 1 1.899 0.030 . 2 . . . . 12 GLU HG3 . 11404 1 58 . 1 1 12 12 GLU C C 13 174.671 0.300 . 1 . . . . 12 GLU C . 11404 1 59 . 1 1 12 12 GLU CA C 13 55.399 0.300 . 1 . . . . 12 GLU CA . 11404 1 60 . 1 1 12 12 GLU CB C 13 31.025 0.300 . 1 . . . . 12 GLU CB . 11404 1 61 . 1 1 12 12 GLU CG C 13 37.533 0.300 . 1 . . . . 12 GLU CG . 11404 1 62 . 1 1 12 12 GLU N N 15 125.893 0.300 . 1 . . . . 12 GLU N . 11404 1 63 . 1 1 13 13 ALA H H 1 8.777 0.030 . 1 . . . . 13 ALA H . 11404 1 64 . 1 1 13 13 ALA HA H 1 4.663 0.030 . 1 . . . . 13 ALA HA . 11404 1 65 . 1 1 13 13 ALA HB1 H 1 0.949 0.030 . 1 . . . . 13 ALA HB . 11404 1 66 . 1 1 13 13 ALA HB2 H 1 0.949 0.030 . 1 . . . . 13 ALA HB . 11404 1 67 . 1 1 13 13 ALA HB3 H 1 0.949 0.030 . 1 . . . . 13 ALA HB . 11404 1 68 . 1 1 13 13 ALA C C 13 174.739 0.300 . 1 . . . . 13 ALA C . 11404 1 69 . 1 1 13 13 ALA CA C 13 49.835 0.300 . 1 . . . . 13 ALA CA . 11404 1 70 . 1 1 13 13 ALA CB C 13 23.783 0.300 . 1 . . . . 13 ALA CB . 11404 1 71 . 1 1 13 13 ALA N N 15 125.757 0.300 . 1 . . . . 13 ALA N . 11404 1 72 . 1 1 14 14 VAL H H 1 7.780 0.030 . 1 . . . . 14 VAL H . 11404 1 73 . 1 1 14 14 VAL HA H 1 4.691 0.030 . 1 . . . . 14 VAL HA . 11404 1 74 . 1 1 14 14 VAL HB H 1 1.676 0.030 . 1 . . . . 14 VAL HB . 11404 1 75 . 1 1 14 14 VAL HG11 H 1 0.814 0.030 . 1 . . . . 14 VAL HG1 . 11404 1 76 . 1 1 14 14 VAL HG12 H 1 0.814 0.030 . 1 . . . . 14 VAL HG1 . 11404 1 77 . 1 1 14 14 VAL HG13 H 1 0.814 0.030 . 1 . . . . 14 VAL HG1 . 11404 1 78 . 1 1 14 14 VAL HG21 H 1 0.970 0.030 . 1 . . . . 14 VAL HG2 . 11404 1 79 . 1 1 14 14 VAL HG22 H 1 0.970 0.030 . 1 . . . . 14 VAL HG2 . 11404 1 80 . 1 1 14 14 VAL HG23 H 1 0.970 0.030 . 1 . . . . 14 VAL HG2 . 11404 1 81 . 1 1 14 14 VAL C C 13 176.140 0.300 . 1 . . . . 14 VAL C . 11404 1 82 . 1 1 14 14 VAL CA C 13 60.326 0.300 . 1 . . . . 14 VAL CA . 11404 1 83 . 1 1 14 14 VAL CB C 13 34.496 0.300 . 1 . . . . 14 VAL CB . 11404 1 84 . 1 1 14 14 VAL CG1 C 13 21.927 0.300 . 2 . . . . 14 VAL CG1 . 11404 1 85 . 1 1 14 14 VAL CG2 C 13 21.936 0.300 . 2 . . . . 14 VAL CG2 . 11404 1 86 . 1 1 14 14 VAL N N 15 118.116 0.300 . 1 . . . . 14 VAL N . 11404 1 87 . 1 1 15 15 ALA H H 1 8.853 0.030 . 1 . . . . 15 ALA H . 11404 1 88 . 1 1 15 15 ALA HA H 1 4.599 0.030 . 1 . . . . 15 ALA HA . 11404 1 89 . 1 1 15 15 ALA HB1 H 1 1.575 0.030 . 1 . . . . 15 ALA HB . 11404 1 90 . 1 1 15 15 ALA HB2 H 1 1.575 0.030 . 1 . . . . 15 ALA HB . 11404 1 91 . 1 1 15 15 ALA HB3 H 1 1.575 0.030 . 1 . . . . 15 ALA HB . 11404 1 92 . 1 1 15 15 ALA C C 13 178.797 0.300 . 1 . . . . 15 ALA C . 11404 1 93 . 1 1 15 15 ALA CA C 13 52.485 0.300 . 1 . . . . 15 ALA CA . 11404 1 94 . 1 1 15 15 ALA CB C 13 20.606 0.300 . 1 . . . . 15 ALA CB . 11404 1 95 . 1 1 15 15 ALA N N 15 128.575 0.300 . 1 . . . . 15 ALA N . 11404 1 96 . 1 1 16 16 CYS H H 1 9.214 0.030 . 1 . . . . 16 CYS H . 11404 1 97 . 1 1 16 16 CYS HA H 1 4.433 0.030 . 1 . . . . 16 CYS HA . 11404 1 98 . 1 1 16 16 CYS HB2 H 1 2.689 0.030 . 2 . . . . 16 CYS HB2 . 11404 1 99 . 1 1 16 16 CYS HB3 H 1 2.542 0.030 . 2 . . . . 16 CYS HB3 . 11404 1 100 . 1 1 16 16 CYS C C 13 172.827 0.300 . 1 . . . . 16 CYS C . 11404 1 101 . 1 1 16 16 CYS CA C 13 57.703 0.300 . 1 . . . . 16 CYS CA . 11404 1 102 . 1 1 16 16 CYS CB C 13 27.895 0.300 . 1 . . . . 16 CYS CB . 11404 1 103 . 1 1 16 16 CYS N N 15 124.901 0.300 . 1 . . . . 16 CYS N . 11404 1 104 . 1 1 17 17 PHE H H 1 7.771 0.030 . 1 . . . . 17 PHE H . 11404 1 105 . 1 1 17 17 PHE HA H 1 4.817 0.030 . 1 . . . . 17 PHE HA . 11404 1 106 . 1 1 17 17 PHE HB2 H 1 2.750 0.030 . 2 . . . . 17 PHE HB2 . 11404 1 107 . 1 1 17 17 PHE HB3 H 1 3.278 0.030 . 2 . . . . 17 PHE HB3 . 11404 1 108 . 1 1 17 17 PHE HD1 H 1 7.154 0.030 . 1 . . . . 17 PHE HD1 . 11404 1 109 . 1 1 17 17 PHE HD2 H 1 7.154 0.030 . 1 . . . . 17 PHE HD2 . 11404 1 110 . 1 1 17 17 PHE HE1 H 1 7.276 0.030 . 1 . . . . 17 PHE HE1 . 11404 1 111 . 1 1 17 17 PHE HE2 H 1 7.276 0.030 . 1 . . . . 17 PHE HE2 . 11404 1 112 . 1 1 17 17 PHE HZ H 1 7.250 0.030 . 1 . . . . 17 PHE HZ . 11404 1 113 . 1 1 17 17 PHE C C 13 173.059 0.300 . 1 . . . . 17 PHE C . 11404 1 114 . 1 1 17 17 PHE CA C 13 58.231 0.300 . 1 . . . . 17 PHE CA . 11404 1 115 . 1 1 17 17 PHE CB C 13 44.237 0.300 . 1 . . . . 17 PHE CB . 11404 1 116 . 1 1 17 17 PHE CD1 C 13 132.509 0.300 . 1 . . . . 17 PHE CD1 . 11404 1 117 . 1 1 17 17 PHE CD2 C 13 132.509 0.300 . 1 . . . . 17 PHE CD2 . 11404 1 118 . 1 1 17 17 PHE CE1 C 13 131.377 0.300 . 1 . . . . 17 PHE CE1 . 11404 1 119 . 1 1 17 17 PHE CE2 C 13 131.377 0.300 . 1 . . . . 17 PHE CE2 . 11404 1 120 . 1 1 17 17 PHE CZ C 13 129.989 0.300 . 1 . . . . 17 PHE CZ . 11404 1 121 . 1 1 17 17 PHE N N 15 118.319 0.300 . 1 . . . . 17 PHE N . 11404 1 122 . 1 1 18 18 ALA H H 1 8.215 0.030 . 1 . . . . 18 ALA H . 11404 1 123 . 1 1 18 18 ALA HA H 1 4.277 0.030 . 1 . . . . 18 ALA HA . 11404 1 124 . 1 1 18 18 ALA HB1 H 1 1.481 0.030 . 1 . . . . 18 ALA HB . 11404 1 125 . 1 1 18 18 ALA HB2 H 1 1.481 0.030 . 1 . . . . 18 ALA HB . 11404 1 126 . 1 1 18 18 ALA HB3 H 1 1.481 0.030 . 1 . . . . 18 ALA HB . 11404 1 127 . 1 1 18 18 ALA C C 13 176.339 0.300 . 1 . . . . 18 ALA C . 11404 1 128 . 1 1 18 18 ALA CA C 13 52.032 0.300 . 1 . . . . 18 ALA CA . 11404 1 129 . 1 1 18 18 ALA CB C 13 19.632 0.300 . 1 . . . . 18 ALA CB . 11404 1 130 . 1 1 18 18 ALA N N 15 121.024 0.300 . 1 . . . . 18 ALA N . 11404 1 131 . 1 1 19 19 TYR H H 1 7.899 0.030 . 1 . . . . 19 TYR H . 11404 1 132 . 1 1 19 19 TYR HA H 1 4.312 0.030 . 1 . . . . 19 TYR HA . 11404 1 133 . 1 1 19 19 TYR HB2 H 1 2.051 0.030 . 2 . . . . 19 TYR HB2 . 11404 1 134 . 1 1 19 19 TYR HB3 H 1 1.024 0.030 . 2 . . . . 19 TYR HB3 . 11404 1 135 . 1 1 19 19 TYR HD1 H 1 6.737 0.030 . 1 . . . . 19 TYR HD1 . 11404 1 136 . 1 1 19 19 TYR HD2 H 1 6.737 0.030 . 1 . . . . 19 TYR HD2 . 11404 1 137 . 1 1 19 19 TYR HE1 H 1 6.873 0.030 . 1 . . . . 19 TYR HE1 . 11404 1 138 . 1 1 19 19 TYR HE2 H 1 6.873 0.030 . 1 . . . . 19 TYR HE2 . 11404 1 139 . 1 1 19 19 TYR C C 13 175.082 0.300 . 1 . . . . 19 TYR C . 11404 1 140 . 1 1 19 19 TYR CA C 13 58.171 0.300 . 1 . . . . 19 TYR CA . 11404 1 141 . 1 1 19 19 TYR CB C 13 43.044 0.300 . 1 . . . . 19 TYR CB . 11404 1 142 . 1 1 19 19 TYR CD1 C 13 133.167 0.300 . 1 . . . . 19 TYR CD1 . 11404 1 143 . 1 1 19 19 TYR CD2 C 13 133.167 0.300 . 1 . . . . 19 TYR CD2 . 11404 1 144 . 1 1 19 19 TYR CE1 C 13 117.675 0.300 . 1 . . . . 19 TYR CE1 . 11404 1 145 . 1 1 19 19 TYR CE2 C 13 117.675 0.300 . 1 . . . . 19 TYR CE2 . 11404 1 146 . 1 1 19 19 TYR N N 15 120.205 0.300 . 1 . . . . 19 TYR N . 11404 1 147 . 1 1 20 20 THR H H 1 7.090 0.030 . 1 . . . . 20 THR H . 11404 1 148 . 1 1 20 20 THR HA H 1 4.113 0.030 . 1 . . . . 20 THR HA . 11404 1 149 . 1 1 20 20 THR HB H 1 3.555 0.030 . 1 . . . . 20 THR HB . 11404 1 150 . 1 1 20 20 THR HG21 H 1 1.012 0.030 . 1 . . . . 20 THR HG2 . 11404 1 151 . 1 1 20 20 THR HG22 H 1 1.012 0.030 . 1 . . . . 20 THR HG2 . 11404 1 152 . 1 1 20 20 THR HG23 H 1 1.012 0.030 . 1 . . . . 20 THR HG2 . 11404 1 153 . 1 1 20 20 THR C C 13 172.555 0.300 . 1 . . . . 20 THR C . 11404 1 154 . 1 1 20 20 THR CA C 13 60.457 0.300 . 1 . . . . 20 THR CA . 11404 1 155 . 1 1 20 20 THR CB C 13 69.735 0.300 . 1 . . . . 20 THR CB . 11404 1 156 . 1 1 20 20 THR CG2 C 13 21.193 0.300 . 1 . . . . 20 THR CG2 . 11404 1 157 . 1 1 20 20 THR N N 15 124.135 0.300 . 1 . . . . 20 THR N . 11404 1 158 . 1 1 21 21 GLY H H 1 8.627 0.030 . 1 . . . . 21 GLY H . 11404 1 159 . 1 1 21 21 GLY HA2 H 1 3.395 0.030 . 2 . . . . 21 GLY HA2 . 11404 1 160 . 1 1 21 21 GLY HA3 H 1 3.977 0.030 . 2 . . . . 21 GLY HA3 . 11404 1 161 . 1 1 21 21 GLY C C 13 174.919 0.300 . 1 . . . . 21 GLY C . 11404 1 162 . 1 1 21 21 GLY CA C 13 46.638 0.300 . 1 . . . . 21 GLY CA . 11404 1 163 . 1 1 21 21 GLY N N 15 113.856 0.300 . 1 . . . . 21 GLY N . 11404 1 164 . 1 1 22 22 ARG H H 1 8.921 0.030 . 1 . . . . 22 ARG H . 11404 1 165 . 1 1 22 22 ARG HA H 1 4.132 0.030 . 1 . . . . 22 ARG HA . 11404 1 166 . 1 1 22 22 ARG HB2 H 1 1.989 0.030 . 1 . . . . 22 ARG HB2 . 11404 1 167 . 1 1 22 22 ARG HB3 H 1 1.989 0.030 . 1 . . . . 22 ARG HB3 . 11404 1 168 . 1 1 22 22 ARG HD2 H 1 3.291 0.030 . 2 . . . . 22 ARG HD2 . 11404 1 169 . 1 1 22 22 ARG HD3 H 1 3.357 0.030 . 2 . . . . 22 ARG HD3 . 11404 1 170 . 1 1 22 22 ARG HG2 H 1 1.928 0.030 . 2 . . . . 22 ARG HG2 . 11404 1 171 . 1 1 22 22 ARG HG3 H 1 1.731 0.030 . 2 . . . . 22 ARG HG3 . 11404 1 172 . 1 1 22 22 ARG C C 13 176.882 0.300 . 1 . . . . 22 ARG C . 11404 1 173 . 1 1 22 22 ARG CA C 13 57.246 0.300 . 1 . . . . 22 ARG CA . 11404 1 174 . 1 1 22 22 ARG CB C 13 31.794 0.300 . 1 . . . . 22 ARG CB . 11404 1 175 . 1 1 22 22 ARG CD C 13 43.474 0.300 . 1 . . . . 22 ARG CD . 11404 1 176 . 1 1 22 22 ARG CG C 13 27.362 0.300 . 1 . . . . 22 ARG CG . 11404 1 177 . 1 1 22 22 ARG N N 15 123.999 0.300 . 1 . . . . 22 ARG N . 11404 1 178 . 1 1 23 23 THR H H 1 7.212 0.030 . 1 . . . . 23 THR H . 11404 1 179 . 1 1 23 23 THR HA H 1 4.565 0.030 . 1 . . . . 23 THR HA . 11404 1 180 . 1 1 23 23 THR HB H 1 4.439 0.030 . 1 . . . . 23 THR HB . 11404 1 181 . 1 1 23 23 THR HG21 H 1 1.119 0.030 . 1 . . . . 23 THR HG2 . 11404 1 182 . 1 1 23 23 THR HG22 H 1 1.119 0.030 . 1 . . . . 23 THR HG2 . 11404 1 183 . 1 1 23 23 THR HG23 H 1 1.119 0.030 . 1 . . . . 23 THR HG2 . 11404 1 184 . 1 1 23 23 THR C C 13 175.369 0.300 . 1 . . . . 23 THR C . 11404 1 185 . 1 1 23 23 THR CA C 13 59.305 0.300 . 1 . . . . 23 THR CA . 11404 1 186 . 1 1 23 23 THR CB C 13 72.925 0.300 . 1 . . . . 23 THR CB . 11404 1 187 . 1 1 23 23 THR CG2 C 13 21.201 0.300 . 1 . . . . 23 THR CG2 . 11404 1 188 . 1 1 23 23 THR N N 15 105.886 0.300 . 1 . . . . 23 THR N . 11404 1 189 . 1 1 24 24 ALA HA H 1 4.226 0.030 . 1 . . . . 24 ALA HA . 11404 1 190 . 1 1 24 24 ALA HB1 H 1 1.459 0.030 . 1 . . . . 24 ALA HB . 11404 1 191 . 1 1 24 24 ALA HB2 H 1 1.459 0.030 . 1 . . . . 24 ALA HB . 11404 1 192 . 1 1 24 24 ALA HB3 H 1 1.459 0.030 . 1 . . . . 24 ALA HB . 11404 1 193 . 1 1 24 24 ALA C C 13 177.849 0.300 . 1 . . . . 24 ALA C . 11404 1 194 . 1 1 24 24 ALA CA C 13 54.354 0.300 . 1 . . . . 24 ALA CA . 11404 1 195 . 1 1 24 24 ALA CB C 13 18.428 0.300 . 1 . . . . 24 ALA CB . 11404 1 196 . 1 1 25 25 GLN H H 1 7.776 0.030 . 1 . . . . 25 GLN H . 11404 1 197 . 1 1 25 25 GLN HA H 1 4.364 0.030 . 1 . . . . 25 GLN HA . 11404 1 198 . 1 1 25 25 GLN HB2 H 1 2.153 0.030 . 2 . . . . 25 GLN HB2 . 11404 1 199 . 1 1 25 25 GLN HB3 H 1 1.882 0.030 . 2 . . . . 25 GLN HB3 . 11404 1 200 . 1 1 25 25 GLN HE21 H 1 7.515 0.030 . 2 . . . . 25 GLN HE21 . 11404 1 201 . 1 1 25 25 GLN HE22 H 1 6.822 0.030 . 2 . . . . 25 GLN HE22 . 11404 1 202 . 1 1 25 25 GLN HG2 H 1 2.319 0.030 . 2 . . . . 25 GLN HG2 . 11404 1 203 . 1 1 25 25 GLN HG3 H 1 2.403 0.030 . 2 . . . . 25 GLN HG3 . 11404 1 204 . 1 1 25 25 GLN C C 13 176.075 0.300 . 1 . . . . 25 GLN C . 11404 1 205 . 1 1 25 25 GLN CA C 13 56.750 0.300 . 1 . . . . 25 GLN CA . 11404 1 206 . 1 1 25 25 GLN CB C 13 29.532 0.300 . 1 . . . . 25 GLN CB . 11404 1 207 . 1 1 25 25 GLN CG C 13 34.844 0.300 . 1 . . . . 25 GLN CG . 11404 1 208 . 1 1 25 25 GLN N N 15 113.508 0.300 . 1 . . . . 25 GLN N . 11404 1 209 . 1 1 25 25 GLN NE2 N 15 112.387 0.300 . 1 . . . . 25 GLN NE2 . 11404 1 210 . 1 1 26 26 GLU H H 1 7.559 0.030 . 1 . . . . 26 GLU H . 11404 1 211 . 1 1 26 26 GLU HA H 1 4.728 0.030 . 1 . . . . 26 GLU HA . 11404 1 212 . 1 1 26 26 GLU HB2 H 1 2.036 0.030 . 2 . . . . 26 GLU HB2 . 11404 1 213 . 1 1 26 26 GLU HB3 H 1 2.642 0.030 . 2 . . . . 26 GLU HB3 . 11404 1 214 . 1 1 26 26 GLU HG2 H 1 2.207 0.030 . 2 . . . . 26 GLU HG2 . 11404 1 215 . 1 1 26 26 GLU HG3 H 1 2.056 0.030 . 2 . . . . 26 GLU HG3 . 11404 1 216 . 1 1 26 26 GLU C C 13 175.749 0.300 . 1 . . . . 26 GLU C . 11404 1 217 . 1 1 26 26 GLU CA C 13 56.099 0.300 . 1 . . . . 26 GLU CA . 11404 1 218 . 1 1 26 26 GLU CB C 13 33.162 0.300 . 1 . . . . 26 GLU CB . 11404 1 219 . 1 1 26 26 GLU CG C 13 36.469 0.300 . 1 . . . . 26 GLU CG . 11404 1 220 . 1 1 26 26 GLU N N 15 119.298 0.300 . 1 . . . . 26 GLU N . 11404 1 221 . 1 1 27 27 LEU H H 1 8.680 0.030 . 1 . . . . 27 LEU H . 11404 1 222 . 1 1 27 27 LEU HA H 1 4.550 0.030 . 1 . . . . 27 LEU HA . 11404 1 223 . 1 1 27 27 LEU HB2 H 1 1.800 0.030 . 2 . . . . 27 LEU HB2 . 11404 1 224 . 1 1 27 27 LEU HB3 H 1 1.630 0.030 . 2 . . . . 27 LEU HB3 . 11404 1 225 . 1 1 27 27 LEU HD11 H 1 0.892 0.030 . 1 . . . . 27 LEU HD1 . 11404 1 226 . 1 1 27 27 LEU HD12 H 1 0.892 0.030 . 1 . . . . 27 LEU HD1 . 11404 1 227 . 1 1 27 27 LEU HD13 H 1 0.892 0.030 . 1 . . . . 27 LEU HD1 . 11404 1 228 . 1 1 27 27 LEU HD21 H 1 0.862 0.030 . 1 . . . . 27 LEU HD2 . 11404 1 229 . 1 1 27 27 LEU HD22 H 1 0.862 0.030 . 1 . . . . 27 LEU HD2 . 11404 1 230 . 1 1 27 27 LEU HD23 H 1 0.862 0.030 . 1 . . . . 27 LEU HD2 . 11404 1 231 . 1 1 27 27 LEU HG H 1 1.497 0.030 . 1 . . . . 27 LEU HG . 11404 1 232 . 1 1 27 27 LEU C C 13 175.320 0.300 . 1 . . . . 27 LEU C . 11404 1 233 . 1 1 27 27 LEU CA C 13 54.601 0.300 . 1 . . . . 27 LEU CA . 11404 1 234 . 1 1 27 27 LEU CB C 13 43.337 0.300 . 1 . . . . 27 LEU CB . 11404 1 235 . 1 1 27 27 LEU CD1 C 13 22.776 0.300 . 2 . . . . 27 LEU CD1 . 11404 1 236 . 1 1 27 27 LEU CD2 C 13 25.840 0.300 . 2 . . . . 27 LEU CD2 . 11404 1 237 . 1 1 27 27 LEU CG C 13 27.445 0.300 . 1 . . . . 27 LEU CG . 11404 1 238 . 1 1 27 27 LEU N N 15 122.492 0.300 . 1 . . . . 27 LEU N . 11404 1 239 . 1 1 28 28 SER H H 1 7.839 0.030 . 1 . . . . 28 SER H . 11404 1 240 . 1 1 28 28 SER HA H 1 4.963 0.030 . 1 . . . . 28 SER HA . 11404 1 241 . 1 1 28 28 SER HB2 H 1 3.994 0.030 . 2 . . . . 28 SER HB2 . 11404 1 242 . 1 1 28 28 SER HB3 H 1 3.727 0.030 . 2 . . . . 28 SER HB3 . 11404 1 243 . 1 1 28 28 SER C C 13 173.608 0.300 . 1 . . . . 28 SER C . 11404 1 244 . 1 1 28 28 SER CA C 13 57.308 0.300 . 1 . . . . 28 SER CA . 11404 1 245 . 1 1 28 28 SER CB C 13 65.214 0.300 . 1 . . . . 28 SER CB . 11404 1 246 . 1 1 28 28 SER N N 15 111.422 0.300 . 1 . . . . 28 SER N . 11404 1 247 . 1 1 29 29 PHE H H 1 8.432 0.030 . 1 . . . . 29 PHE H . 11404 1 248 . 1 1 29 29 PHE HA H 1 4.845 0.030 . 1 . . . . 29 PHE HA . 11404 1 249 . 1 1 29 29 PHE HB2 H 1 3.068 0.030 . 2 . . . . 29 PHE HB2 . 11404 1 250 . 1 1 29 29 PHE HB3 H 1 2.771 0.030 . 2 . . . . 29 PHE HB3 . 11404 1 251 . 1 1 29 29 PHE HD1 H 1 6.731 0.030 . 1 . . . . 29 PHE HD1 . 11404 1 252 . 1 1 29 29 PHE HD2 H 1 6.731 0.030 . 1 . . . . 29 PHE HD2 . 11404 1 253 . 1 1 29 29 PHE HE1 H 1 7.455 0.030 . 1 . . . . 29 PHE HE1 . 11404 1 254 . 1 1 29 29 PHE HE2 H 1 7.455 0.030 . 1 . . . . 29 PHE HE2 . 11404 1 255 . 1 1 29 29 PHE HZ H 1 6.764 0.030 . 1 . . . . 29 PHE HZ . 11404 1 256 . 1 1 29 29 PHE C C 13 174.335 0.300 . 1 . . . . 29 PHE C . 11404 1 257 . 1 1 29 29 PHE CA C 13 56.427 0.300 . 1 . . . . 29 PHE CA . 11404 1 258 . 1 1 29 29 PHE CB C 13 39.396 0.300 . 1 . . . . 29 PHE CB . 11404 1 259 . 1 1 29 29 PHE CD1 C 13 133.178 0.300 . 1 . . . . 29 PHE CD1 . 11404 1 260 . 1 1 29 29 PHE CD2 C 13 133.178 0.300 . 1 . . . . 29 PHE CD2 . 11404 1 261 . 1 1 29 29 PHE CE1 C 13 131.501 0.300 . 1 . . . . 29 PHE CE1 . 11404 1 262 . 1 1 29 29 PHE CE2 C 13 131.501 0.300 . 1 . . . . 29 PHE CE2 . 11404 1 263 . 1 1 29 29 PHE CZ C 13 128.843 0.300 . 1 . . . . 29 PHE CZ . 11404 1 264 . 1 1 29 29 PHE N N 15 116.967 0.300 . 1 . . . . 29 PHE N . 11404 1 265 . 1 1 30 30 ARG H H 1 9.271 0.030 . 1 . . . . 30 ARG H . 11404 1 266 . 1 1 30 30 ARG HA H 1 4.509 0.030 . 1 . . . . 30 ARG HA . 11404 1 267 . 1 1 30 30 ARG HB2 H 1 1.798 0.030 . 2 . . . . 30 ARG HB2 . 11404 1 268 . 1 1 30 30 ARG HB3 H 1 1.908 0.030 . 2 . . . . 30 ARG HB3 . 11404 1 269 . 1 1 30 30 ARG HD2 H 1 3.239 0.030 . 1 . . . . 30 ARG HD2 . 11404 1 270 . 1 1 30 30 ARG HD3 H 1 3.239 0.030 . 1 . . . . 30 ARG HD3 . 11404 1 271 . 1 1 30 30 ARG HG2 H 1 1.711 0.030 . 2 . . . . 30 ARG HG2 . 11404 1 272 . 1 1 30 30 ARG HG3 H 1 1.671 0.030 . 2 . . . . 30 ARG HG3 . 11404 1 273 . 1 1 30 30 ARG C C 13 176.070 0.300 . 1 . . . . 30 ARG C . 11404 1 274 . 1 1 30 30 ARG CA C 13 54.342 0.300 . 1 . . . . 30 ARG CA . 11404 1 275 . 1 1 30 30 ARG CB C 13 31.971 0.300 . 1 . . . . 30 ARG CB . 11404 1 276 . 1 1 30 30 ARG CD C 13 43.313 0.300 . 1 . . . . 30 ARG CD . 11404 1 277 . 1 1 30 30 ARG CG C 13 27.691 0.300 . 1 . . . . 30 ARG CG . 11404 1 278 . 1 1 30 30 ARG N N 15 121.295 0.300 . 1 . . . . 30 ARG N . 11404 1 279 . 1 1 31 31 ARG H H 1 8.233 0.030 . 1 . . . . 31 ARG H . 11404 1 280 . 1 1 31 31 ARG HA H 1 3.399 0.030 . 1 . . . . 31 ARG HA . 11404 1 281 . 1 1 31 31 ARG HB2 H 1 1.714 0.030 . 2 . . . . 31 ARG HB2 . 11404 1 282 . 1 1 31 31 ARG HB3 H 1 1.537 0.030 . 2 . . . . 31 ARG HB3 . 11404 1 283 . 1 1 31 31 ARG HD2 H 1 3.186 0.030 . 2 . . . . 31 ARG HD2 . 11404 1 284 . 1 1 31 31 ARG HD3 H 1 3.125 0.030 . 2 . . . . 31 ARG HD3 . 11404 1 285 . 1 1 31 31 ARG HG2 H 1 1.351 0.030 . 1 . . . . 31 ARG HG2 . 11404 1 286 . 1 1 31 31 ARG HG3 H 1 1.351 0.030 . 1 . . . . 31 ARG HG3 . 11404 1 287 . 1 1 31 31 ARG C C 13 177.379 0.300 . 1 . . . . 31 ARG C . 11404 1 288 . 1 1 31 31 ARG CA C 13 58.780 0.300 . 1 . . . . 31 ARG CA . 11404 1 289 . 1 1 31 31 ARG CB C 13 29.891 0.300 . 1 . . . . 31 ARG CB . 11404 1 290 . 1 1 31 31 ARG CD C 13 43.473 0.300 . 1 . . . . 31 ARG CD . 11404 1 291 . 1 1 31 31 ARG CG C 13 27.384 0.300 . 1 . . . . 31 ARG CG . 11404 1 292 . 1 1 31 31 ARG N N 15 120.122 0.300 . 1 . . . . 31 ARG N . 11404 1 293 . 1 1 32 32 GLY H H 1 8.899 0.030 . 1 . . . . 32 GLY H . 11404 1 294 . 1 1 32 32 GLY HA2 H 1 4.382 0.030 . 2 . . . . 32 GLY HA2 . 11404 1 295 . 1 1 32 32 GLY HA3 H 1 3.419 0.030 . 2 . . . . 32 GLY HA3 . 11404 1 296 . 1 1 32 32 GLY C C 13 173.950 0.300 . 1 . . . . 32 GLY C . 11404 1 297 . 1 1 32 32 GLY CA C 13 44.965 0.300 . 1 . . . . 32 GLY CA . 11404 1 298 . 1 1 32 32 GLY N N 15 115.661 0.300 . 1 . . . . 32 GLY N . 11404 1 299 . 1 1 33 33 ASP H H 1 7.830 0.030 . 1 . . . . 33 ASP H . 11404 1 300 . 1 1 33 33 ASP HA H 1 4.604 0.030 . 1 . . . . 33 ASP HA . 11404 1 301 . 1 1 33 33 ASP HB2 H 1 2.817 0.030 . 2 . . . . 33 ASP HB2 . 11404 1 302 . 1 1 33 33 ASP HB3 H 1 2.351 0.030 . 2 . . . . 33 ASP HB3 . 11404 1 303 . 1 1 33 33 ASP C C 13 174.706 0.300 . 1 . . . . 33 ASP C . 11404 1 304 . 1 1 33 33 ASP CA C 13 55.446 0.300 . 1 . . . . 33 ASP CA . 11404 1 305 . 1 1 33 33 ASP CB C 13 41.416 0.300 . 1 . . . . 33 ASP CB . 11404 1 306 . 1 1 33 33 ASP N N 15 121.835 0.300 . 1 . . . . 33 ASP N . 11404 1 307 . 1 1 34 34 VAL H H 1 8.409 0.030 . 1 . . . . 34 VAL H . 11404 1 308 . 1 1 34 34 VAL HA H 1 4.361 0.030 . 1 . . . . 34 VAL HA . 11404 1 309 . 1 1 34 34 VAL HB H 1 1.954 0.030 . 1 . . . . 34 VAL HB . 11404 1 310 . 1 1 34 34 VAL HG11 H 1 0.969 0.030 . 1 . . . . 34 VAL HG1 . 11404 1 311 . 1 1 34 34 VAL HG12 H 1 0.969 0.030 . 1 . . . . 34 VAL HG1 . 11404 1 312 . 1 1 34 34 VAL HG13 H 1 0.969 0.030 . 1 . . . . 34 VAL HG1 . 11404 1 313 . 1 1 34 34 VAL HG21 H 1 0.794 0.030 . 1 . . . . 34 VAL HG2 . 11404 1 314 . 1 1 34 34 VAL HG22 H 1 0.794 0.030 . 1 . . . . 34 VAL HG2 . 11404 1 315 . 1 1 34 34 VAL HG23 H 1 0.794 0.030 . 1 . . . . 34 VAL HG2 . 11404 1 316 . 1 1 34 34 VAL C C 13 175.614 0.300 . 1 . . . . 34 VAL C . 11404 1 317 . 1 1 34 34 VAL CA C 13 62.421 0.300 . 1 . . . . 34 VAL CA . 11404 1 318 . 1 1 34 34 VAL CB C 13 32.082 0.300 . 1 . . . . 34 VAL CB . 11404 1 319 . 1 1 34 34 VAL CG1 C 13 21.525 0.300 . 2 . . . . 34 VAL CG1 . 11404 1 320 . 1 1 34 34 VAL CG2 C 13 21.531 0.300 . 2 . . . . 34 VAL CG2 . 11404 1 321 . 1 1 34 34 VAL N N 15 120.889 0.300 . 1 . . . . 34 VAL N . 11404 1 322 . 1 1 35 35 LEU H H 1 8.759 0.030 . 1 . . . . 35 LEU H . 11404 1 323 . 1 1 35 35 LEU HA H 1 4.645 0.030 . 1 . . . . 35 LEU HA . 11404 1 324 . 1 1 35 35 LEU HB2 H 1 1.040 0.030 . 2 . . . . 35 LEU HB2 . 11404 1 325 . 1 1 35 35 LEU HB3 H 1 1.131 0.030 . 2 . . . . 35 LEU HB3 . 11404 1 326 . 1 1 35 35 LEU HD11 H 1 -0.084 0.030 . 1 . . . . 35 LEU HD1 . 11404 1 327 . 1 1 35 35 LEU HD12 H 1 -0.084 0.030 . 1 . . . . 35 LEU HD1 . 11404 1 328 . 1 1 35 35 LEU HD13 H 1 -0.084 0.030 . 1 . . . . 35 LEU HD1 . 11404 1 329 . 1 1 35 35 LEU HD21 H 1 0.117 0.030 . 1 . . . . 35 LEU HD2 . 11404 1 330 . 1 1 35 35 LEU HD22 H 1 0.117 0.030 . 1 . . . . 35 LEU HD2 . 11404 1 331 . 1 1 35 35 LEU HD23 H 1 0.117 0.030 . 1 . . . . 35 LEU HD2 . 11404 1 332 . 1 1 35 35 LEU HG H 1 1.147 0.030 . 1 . . . . 35 LEU HG . 11404 1 333 . 1 1 35 35 LEU C C 13 175.398 0.300 . 1 . . . . 35 LEU C . 11404 1 334 . 1 1 35 35 LEU CA C 13 53.100 0.300 . 1 . . . . 35 LEU CA . 11404 1 335 . 1 1 35 35 LEU CB C 13 43.973 0.300 . 1 . . . . 35 LEU CB . 11404 1 336 . 1 1 35 35 LEU CD1 C 13 25.143 0.300 . 2 . . . . 35 LEU CD1 . 11404 1 337 . 1 1 35 35 LEU CD2 C 13 23.902 0.300 . 2 . . . . 35 LEU CD2 . 11404 1 338 . 1 1 35 35 LEU CG C 13 26.995 0.300 . 1 . . . . 35 LEU CG . 11404 1 339 . 1 1 35 35 LEU N N 15 128.495 0.300 . 1 . . . . 35 LEU N . 11404 1 340 . 1 1 36 36 ARG H H 1 8.115 0.030 . 1 . . . . 36 ARG H . 11404 1 341 . 1 1 36 36 ARG HA H 1 4.650 0.030 . 1 . . . . 36 ARG HA . 11404 1 342 . 1 1 36 36 ARG HB2 H 1 1.819 0.030 . 2 . . . . 36 ARG HB2 . 11404 1 343 . 1 1 36 36 ARG HB3 H 1 1.555 0.030 . 2 . . . . 36 ARG HB3 . 11404 1 344 . 1 1 36 36 ARG HD2 H 1 3.104 0.030 . 2 . . . . 36 ARG HD2 . 11404 1 345 . 1 1 36 36 ARG HD3 H 1 3.193 0.030 . 2 . . . . 36 ARG HD3 . 11404 1 346 . 1 1 36 36 ARG HG2 H 1 1.449 0.030 . 2 . . . . 36 ARG HG2 . 11404 1 347 . 1 1 36 36 ARG HG3 H 1 1.613 0.030 . 2 . . . . 36 ARG HG3 . 11404 1 348 . 1 1 36 36 ARG C C 13 175.091 0.300 . 1 . . . . 36 ARG C . 11404 1 349 . 1 1 36 36 ARG CA C 13 55.299 0.300 . 1 . . . . 36 ARG CA . 11404 1 350 . 1 1 36 36 ARG CB C 13 31.287 0.300 . 1 . . . . 36 ARG CB . 11404 1 351 . 1 1 36 36 ARG CD C 13 43.395 0.300 . 1 . . . . 36 ARG CD . 11404 1 352 . 1 1 36 36 ARG CG C 13 28.430 0.300 . 1 . . . . 36 ARG CG . 11404 1 353 . 1 1 36 36 ARG N N 15 120.618 0.300 . 1 . . . . 36 ARG N . 11404 1 354 . 1 1 37 37 LEU H H 1 9.036 0.030 . 1 . . . . 37 LEU H . 11404 1 355 . 1 1 37 37 LEU HA H 1 4.353 0.030 . 1 . . . . 37 LEU HA . 11404 1 356 . 1 1 37 37 LEU HB2 H 1 1.475 0.030 . 2 . . . . 37 LEU HB2 . 11404 1 357 . 1 1 37 37 LEU HB3 H 1 1.043 0.030 . 2 . . . . 37 LEU HB3 . 11404 1 358 . 1 1 37 37 LEU HD11 H 1 0.019 0.030 . 1 . . . . 37 LEU HD1 . 11404 1 359 . 1 1 37 37 LEU HD12 H 1 0.019 0.030 . 1 . . . . 37 LEU HD1 . 11404 1 360 . 1 1 37 37 LEU HD13 H 1 0.019 0.030 . 1 . . . . 37 LEU HD1 . 11404 1 361 . 1 1 37 37 LEU HD21 H 1 -0.666 0.030 . 1 . . . . 37 LEU HD2 . 11404 1 362 . 1 1 37 37 LEU HD22 H 1 -0.666 0.030 . 1 . . . . 37 LEU HD2 . 11404 1 363 . 1 1 37 37 LEU HD23 H 1 -0.666 0.030 . 1 . . . . 37 LEU HD2 . 11404 1 364 . 1 1 37 37 LEU HG H 1 1.135 0.030 . 1 . . . . 37 LEU HG . 11404 1 365 . 1 1 37 37 LEU C C 13 175.716 0.300 . 1 . . . . 37 LEU C . 11404 1 366 . 1 1 37 37 LEU CA C 13 54.243 0.300 . 1 . . . . 37 LEU CA . 11404 1 367 . 1 1 37 37 LEU CB C 13 41.436 0.300 . 1 . . . . 37 LEU CB . 11404 1 368 . 1 1 37 37 LEU CD1 C 13 22.192 0.300 . 2 . . . . 37 LEU CD1 . 11404 1 369 . 1 1 37 37 LEU CD2 C 13 23.794 0.300 . 2 . . . . 37 LEU CD2 . 11404 1 370 . 1 1 37 37 LEU CG C 13 25.645 0.300 . 1 . . . . 37 LEU CG . 11404 1 371 . 1 1 37 37 LEU N N 15 122.849 0.300 . 1 . . . . 37 LEU N . 11404 1 372 . 1 1 38 38 HIS H H 1 9.296 0.030 . 1 . . . . 38 HIS H . 11404 1 373 . 1 1 38 38 HIS HA H 1 4.962 0.030 . 1 . . . . 38 HIS HA . 11404 1 374 . 1 1 38 38 HIS HB2 H 1 3.223 0.030 . 2 . . . . 38 HIS HB2 . 11404 1 375 . 1 1 38 38 HIS HB3 H 1 2.993 0.030 . 2 . . . . 38 HIS HB3 . 11404 1 376 . 1 1 38 38 HIS HD2 H 1 6.751 0.030 . 1 . . . . 38 HIS HD2 . 11404 1 377 . 1 1 38 38 HIS HE1 H 1 7.562 0.030 . 1 . . . . 38 HIS HE1 . 11404 1 378 . 1 1 38 38 HIS C C 13 176.242 0.300 . 1 . . . . 38 HIS C . 11404 1 379 . 1 1 38 38 HIS CA C 13 57.331 0.300 . 1 . . . . 38 HIS CA . 11404 1 380 . 1 1 38 38 HIS CB C 13 33.100 0.300 . 1 . . . . 38 HIS CB . 11404 1 381 . 1 1 38 38 HIS CD2 C 13 116.738 0.300 . 1 . . . . 38 HIS CD2 . 11404 1 382 . 1 1 38 38 HIS CE1 C 13 138.391 0.300 . 1 . . . . 38 HIS CE1 . 11404 1 383 . 1 1 38 38 HIS N N 15 121.785 0.300 . 1 . . . . 38 HIS N . 11404 1 384 . 1 1 39 39 GLU H H 1 8.185 0.030 . 1 . . . . 39 GLU H . 11404 1 385 . 1 1 39 39 GLU HA H 1 4.742 0.030 . 1 . . . . 39 GLU HA . 11404 1 386 . 1 1 39 39 GLU HB2 H 1 2.094 0.030 . 1 . . . . 39 GLU HB2 . 11404 1 387 . 1 1 39 39 GLU HB3 H 1 2.094 0.030 . 1 . . . . 39 GLU HB3 . 11404 1 388 . 1 1 39 39 GLU HG2 H 1 2.157 0.030 . 1 . . . . 39 GLU HG2 . 11404 1 389 . 1 1 39 39 GLU HG3 H 1 2.157 0.030 . 1 . . . . 39 GLU HG3 . 11404 1 390 . 1 1 39 39 GLU C C 13 175.757 0.300 . 1 . . . . 39 GLU C . 11404 1 391 . 1 1 39 39 GLU CA C 13 55.728 0.300 . 1 . . . . 39 GLU CA . 11404 1 392 . 1 1 39 39 GLU CB C 13 33.447 0.300 . 1 . . . . 39 GLU CB . 11404 1 393 . 1 1 39 39 GLU CG C 13 35.772 0.300 . 1 . . . . 39 GLU CG . 11404 1 394 . 1 1 39 39 GLU N N 15 114.606 0.300 . 1 . . . . 39 GLU N . 11404 1 395 . 1 1 40 40 ARG H H 1 9.197 0.030 . 1 . . . . 40 ARG H . 11404 1 396 . 1 1 40 40 ARG HA H 1 3.714 0.030 . 1 . . . . 40 ARG HA . 11404 1 397 . 1 1 40 40 ARG HB2 H 1 0.441 0.030 . 2 . . . . 40 ARG HB2 . 11404 1 398 . 1 1 40 40 ARG HB3 H 1 1.559 0.030 . 2 . . . . 40 ARG HB3 . 11404 1 399 . 1 1 40 40 ARG HD2 H 1 1.297 0.030 . 2 . . . . 40 ARG HD2 . 11404 1 400 . 1 1 40 40 ARG HD3 H 1 2.007 0.030 . 2 . . . . 40 ARG HD3 . 11404 1 401 . 1 1 40 40 ARG HG2 H 1 0.887 0.030 . 2 . . . . 40 ARG HG2 . 11404 1 402 . 1 1 40 40 ARG HG3 H 1 0.434 0.030 . 2 . . . . 40 ARG HG3 . 11404 1 403 . 1 1 40 40 ARG C C 13 174.854 0.300 . 1 . . . . 40 ARG C . 11404 1 404 . 1 1 40 40 ARG CA C 13 55.352 0.300 . 1 . . . . 40 ARG CA . 11404 1 405 . 1 1 40 40 ARG CB C 13 29.790 0.300 . 1 . . . . 40 ARG CB . 11404 1 406 . 1 1 40 40 ARG CD C 13 42.196 0.300 . 1 . . . . 40 ARG CD . 11404 1 407 . 1 1 40 40 ARG CG C 13 26.211 0.300 . 1 . . . . 40 ARG CG . 11404 1 408 . 1 1 40 40 ARG N N 15 128.658 0.300 . 1 . . . . 40 ARG N . 11404 1 409 . 1 1 41 41 ALA H H 1 8.429 0.030 . 1 . . . . 41 ALA H . 11404 1 410 . 1 1 41 41 ALA HA H 1 4.274 0.030 . 1 . . . . 41 ALA HA . 11404 1 411 . 1 1 41 41 ALA HB1 H 1 1.302 0.030 . 1 . . . . 41 ALA HB . 11404 1 412 . 1 1 41 41 ALA HB2 H 1 1.302 0.030 . 1 . . . . 41 ALA HB . 11404 1 413 . 1 1 41 41 ALA HB3 H 1 1.302 0.030 . 1 . . . . 41 ALA HB . 11404 1 414 . 1 1 41 41 ALA C C 13 177.248 0.300 . 1 . . . . 41 ALA C . 11404 1 415 . 1 1 41 41 ALA CA C 13 54.247 0.300 . 1 . . . . 41 ALA CA . 11404 1 416 . 1 1 41 41 ALA CB C 13 19.510 0.300 . 1 . . . . 41 ALA CB . 11404 1 417 . 1 1 41 41 ALA N N 15 133.328 0.300 . 1 . . . . 41 ALA N . 11404 1 418 . 1 1 42 42 SER H H 1 8.543 0.030 . 1 . . . . 42 SER H . 11404 1 419 . 1 1 42 42 SER HA H 1 4.527 0.030 . 1 . . . . 42 SER HA . 11404 1 420 . 1 1 42 42 SER HB2 H 1 4.152 0.030 . 2 . . . . 42 SER HB2 . 11404 1 421 . 1 1 42 42 SER HB3 H 1 4.234 0.030 . 2 . . . . 42 SER HB3 . 11404 1 422 . 1 1 42 42 SER C C 13 174.521 0.300 . 1 . . . . 42 SER C . 11404 1 423 . 1 1 42 42 SER CA C 13 57.057 0.300 . 1 . . . . 42 SER CA . 11404 1 424 . 1 1 42 42 SER CB C 13 64.580 0.300 . 1 . . . . 42 SER CB . 11404 1 425 . 1 1 42 42 SER N N 15 110.385 0.300 . 1 . . . . 42 SER N . 11404 1 426 . 1 1 44 44 ASP HA H 1 4.715 0.030 . 1 . . . . 44 ASP HA . 11404 1 427 . 1 1 44 44 ASP HB2 H 1 2.423 0.030 . 2 . . . . 44 ASP HB2 . 11404 1 428 . 1 1 44 44 ASP HB3 H 1 2.345 0.030 . 2 . . . . 44 ASP HB3 . 11404 1 429 . 1 1 44 44 ASP C C 13 176.656 0.300 . 1 . . . . 44 ASP C . 11404 1 430 . 1 1 44 44 ASP CA C 13 54.906 0.300 . 1 . . . . 44 ASP CA . 11404 1 431 . 1 1 44 44 ASP CB C 13 42.902 0.300 . 1 . . . . 44 ASP CB . 11404 1 432 . 1 1 45 45 TRP H H 1 7.350 0.030 . 1 . . . . 45 TRP H . 11404 1 433 . 1 1 45 45 TRP HA H 1 5.494 0.030 . 1 . . . . 45 TRP HA . 11404 1 434 . 1 1 45 45 TRP HB2 H 1 3.170 0.030 . 2 . . . . 45 TRP HB2 . 11404 1 435 . 1 1 45 45 TRP HB3 H 1 2.936 0.030 . 2 . . . . 45 TRP HB3 . 11404 1 436 . 1 1 45 45 TRP HD1 H 1 7.075 0.030 . 1 . . . . 45 TRP HD1 . 11404 1 437 . 1 1 45 45 TRP HE1 H 1 10.167 0.030 . 1 . . . . 45 TRP HE1 . 11404 1 438 . 1 1 45 45 TRP HE3 H 1 7.454 0.030 . 1 . . . . 45 TRP HE3 . 11404 1 439 . 1 1 45 45 TRP HH2 H 1 7.234 0.030 . 1 . . . . 45 TRP HH2 . 11404 1 440 . 1 1 45 45 TRP HZ2 H 1 7.454 0.030 . 1 . . . . 45 TRP HZ2 . 11404 1 441 . 1 1 45 45 TRP HZ3 H 1 6.710 0.030 . 1 . . . . 45 TRP HZ3 . 11404 1 442 . 1 1 45 45 TRP C C 13 174.577 0.300 . 1 . . . . 45 TRP C . 11404 1 443 . 1 1 45 45 TRP CA C 13 57.124 0.300 . 1 . . . . 45 TRP CA . 11404 1 444 . 1 1 45 45 TRP CB C 13 34.263 0.300 . 1 . . . . 45 TRP CB . 11404 1 445 . 1 1 45 45 TRP CD1 C 13 127.707 0.300 . 1 . . . . 45 TRP CD1 . 11404 1 446 . 1 1 45 45 TRP CE3 C 13 120.710 0.300 . 1 . . . . 45 TRP CE3 . 11404 1 447 . 1 1 45 45 TRP CH2 C 13 124.911 0.300 . 1 . . . . 45 TRP CH2 . 11404 1 448 . 1 1 45 45 TRP CZ2 C 13 114.604 0.300 . 1 . . . . 45 TRP CZ2 . 11404 1 449 . 1 1 45 45 TRP CZ3 C 13 120.674 0.300 . 1 . . . . 45 TRP CZ3 . 11404 1 450 . 1 1 45 45 TRP N N 15 119.534 0.300 . 1 . . . . 45 TRP N . 11404 1 451 . 1 1 45 45 TRP NE1 N 15 128.781 0.300 . 1 . . . . 45 TRP NE1 . 11404 1 452 . 1 1 46 46 TRP H H 1 10.000 0.030 . 1 . . . . 46 TRP H . 11404 1 453 . 1 1 46 46 TRP HA H 1 5.086 0.030 . 1 . . . . 46 TRP HA . 11404 1 454 . 1 1 46 46 TRP HB2 H 1 3.295 0.030 . 2 . . . . 46 TRP HB2 . 11404 1 455 . 1 1 46 46 TRP HB3 H 1 2.978 0.030 . 2 . . . . 46 TRP HB3 . 11404 1 456 . 1 1 46 46 TRP HD1 H 1 6.927 0.030 . 1 . . . . 46 TRP HD1 . 11404 1 457 . 1 1 46 46 TRP HE1 H 1 13.444 0.030 . 1 . . . . 46 TRP HE1 . 11404 1 458 . 1 1 46 46 TRP HE3 H 1 7.285 0.030 . 1 . . . . 46 TRP HE3 . 11404 1 459 . 1 1 46 46 TRP HH2 H 1 7.151 0.030 . 1 . . . . 46 TRP HH2 . 11404 1 460 . 1 1 46 46 TRP HZ2 H 1 7.402 0.030 . 1 . . . . 46 TRP HZ2 . 11404 1 461 . 1 1 46 46 TRP HZ3 H 1 6.966 0.030 . 1 . . . . 46 TRP HZ3 . 11404 1 462 . 1 1 46 46 TRP C C 13 176.169 0.300 . 1 . . . . 46 TRP C . 11404 1 463 . 1 1 46 46 TRP CA C 13 56.518 0.300 . 1 . . . . 46 TRP CA . 11404 1 464 . 1 1 46 46 TRP CB C 13 32.355 0.300 . 1 . . . . 46 TRP CB . 11404 1 465 . 1 1 46 46 TRP CD1 C 13 125.705 0.300 . 1 . . . . 46 TRP CD1 . 11404 1 466 . 1 1 46 46 TRP CE3 C 13 120.162 0.300 . 1 . . . . 46 TRP CE3 . 11404 1 467 . 1 1 46 46 TRP CH2 C 13 124.290 0.300 . 1 . . . . 46 TRP CH2 . 11404 1 468 . 1 1 46 46 TRP CZ2 C 13 115.206 0.300 . 1 . . . . 46 TRP CZ2 . 11404 1 469 . 1 1 46 46 TRP CZ3 C 13 121.989 0.300 . 1 . . . . 46 TRP CZ3 . 11404 1 470 . 1 1 46 46 TRP N N 15 122.106 0.300 . 1 . . . . 46 TRP N . 11404 1 471 . 1 1 47 47 ARG H H 1 9.715 0.030 . 1 . . . . 47 ARG H . 11404 1 472 . 1 1 47 47 ARG HA H 1 5.080 0.030 . 1 . . . . 47 ARG HA . 11404 1 473 . 1 1 47 47 ARG HB2 H 1 1.903 0.030 . 2 . . . . 47 ARG HB2 . 11404 1 474 . 1 1 47 47 ARG HB3 H 1 2.121 0.030 . 2 . . . . 47 ARG HB3 . 11404 1 475 . 1 1 47 47 ARG HD2 H 1 3.272 0.030 . 1 . . . . 47 ARG HD2 . 11404 1 476 . 1 1 47 47 ARG HD3 H 1 3.272 0.030 . 1 . . . . 47 ARG HD3 . 11404 1 477 . 1 1 47 47 ARG HG2 H 1 1.659 0.030 . 1 . . . . 47 ARG HG2 . 11404 1 478 . 1 1 47 47 ARG HG3 H 1 1.659 0.030 . 1 . . . . 47 ARG HG3 . 11404 1 479 . 1 1 47 47 ARG C C 13 176.900 0.300 . 1 . . . . 47 ARG C . 11404 1 480 . 1 1 47 47 ARG CA C 13 56.160 0.300 . 1 . . . . 47 ARG CA . 11404 1 481 . 1 1 47 47 ARG CB C 13 31.473 0.300 . 1 . . . . 47 ARG CB . 11404 1 482 . 1 1 47 47 ARG CD C 13 43.231 0.300 . 1 . . . . 47 ARG CD . 11404 1 483 . 1 1 47 47 ARG CG C 13 29.089 0.300 . 1 . . . . 47 ARG CG . 11404 1 484 . 1 1 47 47 ARG N N 15 119.808 0.300 . 1 . . . . 47 ARG N . 11404 1 485 . 1 1 48 48 GLY H H 1 9.108 0.030 . 1 . . . . 48 GLY H . 11404 1 486 . 1 1 48 48 GLY HA2 H 1 4.294 0.030 . 1 . . . . 48 GLY HA2 . 11404 1 487 . 1 1 48 48 GLY HA3 H 1 4.294 0.030 . 1 . . . . 48 GLY HA3 . 11404 1 488 . 1 1 48 48 GLY C C 13 171.166 0.300 . 1 . . . . 48 GLY C . 11404 1 489 . 1 1 48 48 GLY CA C 13 46.908 0.300 . 1 . . . . 48 GLY CA . 11404 1 490 . 1 1 48 48 GLY N N 15 113.012 0.300 . 1 . . . . 48 GLY N . 11404 1 491 . 1 1 49 49 GLU H H 1 9.161 0.030 . 1 . . . . 49 GLU H . 11404 1 492 . 1 1 49 49 GLU HA H 1 5.682 0.030 . 1 . . . . 49 GLU HA . 11404 1 493 . 1 1 49 49 GLU HB2 H 1 1.957 0.030 . 2 . . . . 49 GLU HB2 . 11404 1 494 . 1 1 49 49 GLU HB3 H 1 1.874 0.030 . 2 . . . . 49 GLU HB3 . 11404 1 495 . 1 1 49 49 GLU HG2 H 1 2.056 0.030 . 2 . . . . 49 GLU HG2 . 11404 1 496 . 1 1 49 49 GLU HG3 H 1 2.124 0.030 . 2 . . . . 49 GLU HG3 . 11404 1 497 . 1 1 49 49 GLU C C 13 174.013 0.300 . 1 . . . . 49 GLU C . 11404 1 498 . 1 1 49 49 GLU CA C 13 54.687 0.300 . 1 . . . . 49 GLU CA . 11404 1 499 . 1 1 49 49 GLU CB C 13 34.849 0.300 . 1 . . . . 49 GLU CB . 11404 1 500 . 1 1 49 49 GLU CG C 13 36.070 0.300 . 1 . . . . 49 GLU CG . 11404 1 501 . 1 1 49 49 GLU N N 15 121.971 0.300 . 1 . . . . 49 GLU N . 11404 1 502 . 1 1 50 50 HIS H H 1 8.871 0.030 . 1 . . . . 50 HIS H . 11404 1 503 . 1 1 50 50 HIS HA H 1 4.904 0.030 . 1 . . . . 50 HIS HA . 11404 1 504 . 1 1 50 50 HIS HB2 H 1 3.066 0.030 . 2 . . . . 50 HIS HB2 . 11404 1 505 . 1 1 50 50 HIS HB3 H 1 3.115 0.030 . 2 . . . . 50 HIS HB3 . 11404 1 506 . 1 1 50 50 HIS HD2 H 1 7.334 0.030 . 1 . . . . 50 HIS HD2 . 11404 1 507 . 1 1 50 50 HIS HE1 H 1 7.877 0.030 . 1 . . . . 50 HIS HE1 . 11404 1 508 . 1 1 50 50 HIS C C 13 175.272 0.300 . 1 . . . . 50 HIS C . 11404 1 509 . 1 1 50 50 HIS CA C 13 56.461 0.300 . 1 . . . . 50 HIS CA . 11404 1 510 . 1 1 50 50 HIS CB C 13 34.163 0.300 . 1 . . . . 50 HIS CB . 11404 1 511 . 1 1 50 50 HIS CD2 C 13 119.651 0.300 . 1 . . . . 50 HIS CD2 . 11404 1 512 . 1 1 50 50 HIS CE1 C 13 138.328 0.300 . 1 . . . . 50 HIS CE1 . 11404 1 513 . 1 1 50 50 HIS N N 15 122.512 0.300 . 1 . . . . 50 HIS N . 11404 1 514 . 1 1 51 51 ASN H H 1 9.092 0.030 . 1 . . . . 51 ASN H . 11404 1 515 . 1 1 51 51 ASN HA H 1 4.248 0.030 . 1 . . . . 51 ASN HA . 11404 1 516 . 1 1 51 51 ASN HB2 H 1 3.008 0.030 . 2 . . . . 51 ASN HB2 . 11404 1 517 . 1 1 51 51 ASN HB3 H 1 2.273 0.030 . 2 . . . . 51 ASN HB3 . 11404 1 518 . 1 1 51 51 ASN HD21 H 1 6.744 0.030 . 2 . . . . 51 ASN HD21 . 11404 1 519 . 1 1 51 51 ASN HD22 H 1 7.391 0.030 . 2 . . . . 51 ASN HD22 . 11404 1 520 . 1 1 51 51 ASN C C 13 174.970 0.300 . 1 . . . . 51 ASN C . 11404 1 521 . 1 1 51 51 ASN CA C 13 53.651 0.300 . 1 . . . . 51 ASN CA . 11404 1 522 . 1 1 51 51 ASN CB C 13 37.181 0.300 . 1 . . . . 51 ASN CB . 11404 1 523 . 1 1 51 51 ASN N N 15 127.591 0.300 . 1 . . . . 51 ASN N . 11404 1 524 . 1 1 51 51 ASN ND2 N 15 111.412 0.300 . 1 . . . . 51 ASN ND2 . 11404 1 525 . 1 1 52 52 GLY H H 1 9.046 0.030 . 1 . . . . 52 GLY H . 11404 1 526 . 1 1 52 52 GLY HA2 H 1 3.622 0.030 . 2 . . . . 52 GLY HA2 . 11404 1 527 . 1 1 52 52 GLY HA3 H 1 4.152 0.030 . 2 . . . . 52 GLY HA3 . 11404 1 528 . 1 1 52 52 GLY C C 13 173.844 0.300 . 1 . . . . 52 GLY C . 11404 1 529 . 1 1 52 52 GLY CA C 13 45.522 0.300 . 1 . . . . 52 GLY CA . 11404 1 530 . 1 1 52 52 GLY N N 15 104.251 0.300 . 1 . . . . 52 GLY N . 11404 1 531 . 1 1 53 53 MET H H 1 8.006 0.030 . 1 . . . . 53 MET H . 11404 1 532 . 1 1 53 53 MET HA H 1 4.786 0.030 . 1 . . . . 53 MET HA . 11404 1 533 . 1 1 53 53 MET HB2 H 1 2.207 0.030 . 1 . . . . 53 MET HB2 . 11404 1 534 . 1 1 53 53 MET HB3 H 1 2.207 0.030 . 1 . . . . 53 MET HB3 . 11404 1 535 . 1 1 53 53 MET HE1 H 1 2.219 0.030 . 1 . . . . 53 MET HE . 11404 1 536 . 1 1 53 53 MET HE2 H 1 2.219 0.030 . 1 . . . . 53 MET HE . 11404 1 537 . 1 1 53 53 MET HE3 H 1 2.219 0.030 . 1 . . . . 53 MET HE . 11404 1 538 . 1 1 53 53 MET HG2 H 1 2.596 0.030 . 2 . . . . 53 MET HG2 . 11404 1 539 . 1 1 53 53 MET HG3 H 1 2.660 0.030 . 2 . . . . 53 MET HG3 . 11404 1 540 . 1 1 53 53 MET C C 13 174.620 0.300 . 1 . . . . 53 MET C . 11404 1 541 . 1 1 53 53 MET CA C 13 53.984 0.300 . 1 . . . . 53 MET CA . 11404 1 542 . 1 1 53 53 MET CB C 13 34.302 0.300 . 1 . . . . 53 MET CB . 11404 1 543 . 1 1 53 53 MET CE C 13 17.261 0.300 . 1 . . . . 53 MET CE . 11404 1 544 . 1 1 53 53 MET CG C 13 32.163 0.300 . 1 . . . . 53 MET CG . 11404 1 545 . 1 1 53 53 MET N N 15 121.250 0.300 . 1 . . . . 53 MET N . 11404 1 546 . 1 1 54 54 ARG H H 1 8.629 0.030 . 1 . . . . 54 ARG H . 11404 1 547 . 1 1 54 54 ARG HA H 1 5.405 0.030 . 1 . . . . 54 ARG HA . 11404 1 548 . 1 1 54 54 ARG HB2 H 1 1.798 0.030 . 2 . . . . 54 ARG HB2 . 11404 1 549 . 1 1 54 54 ARG HB3 H 1 1.962 0.030 . 2 . . . . 54 ARG HB3 . 11404 1 550 . 1 1 54 54 ARG HD2 H 1 3.169 0.030 . 1 . . . . 54 ARG HD2 . 11404 1 551 . 1 1 54 54 ARG HD3 H 1 3.169 0.030 . 1 . . . . 54 ARG HD3 . 11404 1 552 . 1 1 54 54 ARG HG2 H 1 1.740 0.030 . 2 . . . . 54 ARG HG2 . 11404 1 553 . 1 1 54 54 ARG HG3 H 1 1.569 0.030 . 2 . . . . 54 ARG HG3 . 11404 1 554 . 1 1 54 54 ARG C C 13 176.920 0.300 . 1 . . . . 54 ARG C . 11404 1 555 . 1 1 54 54 ARG CA C 13 54.659 0.300 . 1 . . . . 54 ARG CA . 11404 1 556 . 1 1 54 54 ARG CB C 13 32.241 0.300 . 1 . . . . 54 ARG CB . 11404 1 557 . 1 1 54 54 ARG CD C 13 43.478 0.300 . 1 . . . . 54 ARG CD . 11404 1 558 . 1 1 54 54 ARG CG C 13 28.349 0.300 . 1 . . . . 54 ARG CG . 11404 1 559 . 1 1 54 54 ARG N N 15 121.835 0.300 . 1 . . . . 54 ARG N . 11404 1 560 . 1 1 55 55 GLY H H 1 8.516 0.030 . 1 . . . . 55 GLY H . 11404 1 561 . 1 1 55 55 GLY HA2 H 1 4.239 0.030 . 2 . . . . 55 GLY HA2 . 11404 1 562 . 1 1 55 55 GLY HA3 H 1 4.051 0.030 . 2 . . . . 55 GLY HA3 . 11404 1 563 . 1 1 55 55 GLY C C 13 171.282 0.300 . 1 . . . . 55 GLY C . 11404 1 564 . 1 1 55 55 GLY CA C 13 45.912 0.300 . 1 . . . . 55 GLY CA . 11404 1 565 . 1 1 55 55 GLY N N 15 109.080 0.300 . 1 . . . . 55 GLY N . 11404 1 566 . 1 1 56 56 LEU H H 1 8.874 0.030 . 1 . . . . 56 LEU H . 11404 1 567 . 1 1 56 56 LEU HA H 1 5.502 0.030 . 1 . . . . 56 LEU HA . 11404 1 568 . 1 1 56 56 LEU HB2 H 1 1.684 0.030 . 2 . . . . 56 LEU HB2 . 11404 1 569 . 1 1 56 56 LEU HB3 H 1 1.523 0.030 . 2 . . . . 56 LEU HB3 . 11404 1 570 . 1 1 56 56 LEU HD11 H 1 0.373 0.030 . 1 . . . . 56 LEU HD1 . 11404 1 571 . 1 1 56 56 LEU HD12 H 1 0.373 0.030 . 1 . . . . 56 LEU HD1 . 11404 1 572 . 1 1 56 56 LEU HD13 H 1 0.373 0.030 . 1 . . . . 56 LEU HD1 . 11404 1 573 . 1 1 56 56 LEU HD21 H 1 0.725 0.030 . 1 . . . . 56 LEU HD2 . 11404 1 574 . 1 1 56 56 LEU HD22 H 1 0.725 0.030 . 1 . . . . 56 LEU HD2 . 11404 1 575 . 1 1 56 56 LEU HD23 H 1 0.725 0.030 . 1 . . . . 56 LEU HD2 . 11404 1 576 . 1 1 56 56 LEU HG H 1 1.617 0.030 . 1 . . . . 56 LEU HG . 11404 1 577 . 1 1 56 56 LEU C C 13 171.201 0.300 . 1 . . . . 56 LEU C . 11404 1 578 . 1 1 56 56 LEU CA C 13 54.763 0.300 . 1 . . . . 56 LEU CA . 11404 1 579 . 1 1 56 56 LEU CB C 13 44.789 0.300 . 1 . . . . 56 LEU CB . 11404 1 580 . 1 1 56 56 LEU CD1 C 13 25.416 0.300 . 2 . . . . 56 LEU CD1 . 11404 1 581 . 1 1 56 56 LEU CD2 C 13 23.169 0.300 . 2 . . . . 56 LEU CD2 . 11404 1 582 . 1 1 56 56 LEU CG C 13 27.207 0.300 . 1 . . . . 56 LEU CG . 11404 1 583 . 1 1 56 56 LEU N N 15 120.343 0.300 . 1 . . . . 56 LEU N . 11404 1 584 . 1 1 57 57 ILE H H 1 9.672 0.030 . 1 . . . . 57 ILE H . 11404 1 585 . 1 1 57 57 ILE HA H 1 4.918 0.030 . 1 . . . . 57 ILE HA . 11404 1 586 . 1 1 57 57 ILE HB H 1 1.595 0.030 . 1 . . . . 57 ILE HB . 11404 1 587 . 1 1 57 57 ILE HD11 H 1 0.600 0.030 . 1 . . . . 57 ILE HD1 . 11404 1 588 . 1 1 57 57 ILE HD12 H 1 0.600 0.030 . 1 . . . . 57 ILE HD1 . 11404 1 589 . 1 1 57 57 ILE HD13 H 1 0.600 0.030 . 1 . . . . 57 ILE HD1 . 11404 1 590 . 1 1 57 57 ILE HG12 H 1 1.707 0.030 . 2 . . . . 57 ILE HG12 . 11404 1 591 . 1 1 57 57 ILE HG13 H 1 0.819 0.030 . 2 . . . . 57 ILE HG13 . 11404 1 592 . 1 1 57 57 ILE HG21 H 1 0.630 0.030 . 1 . . . . 57 ILE HG2 . 11404 1 593 . 1 1 57 57 ILE HG22 H 1 0.630 0.030 . 1 . . . . 57 ILE HG2 . 11404 1 594 . 1 1 57 57 ILE HG23 H 1 0.630 0.030 . 1 . . . . 57 ILE HG2 . 11404 1 595 . 1 1 57 57 ILE CA C 13 58.065 0.300 . 1 . . . . 57 ILE CA . 11404 1 596 . 1 1 57 57 ILE CB C 13 45.013 0.300 . 1 . . . . 57 ILE CB . 11404 1 597 . 1 1 57 57 ILE CD1 C 13 15.913 0.300 . 1 . . . . 57 ILE CD1 . 11404 1 598 . 1 1 57 57 ILE CG1 C 13 28.597 0.300 . 1 . . . . 57 ILE CG1 . 11404 1 599 . 1 1 57 57 ILE CG2 C 13 17.658 0.300 . 1 . . . . 57 ILE CG2 . 11404 1 600 . 1 1 57 57 ILE N N 15 121.042 0.300 . 1 . . . . 57 ILE N . 11404 1 601 . 1 1 58 58 PRO HA H 1 4.051 0.030 . 1 . . . . 58 PRO HA . 11404 1 602 . 1 1 58 58 PRO HB2 H 1 1.397 0.030 . 2 . . . . 58 PRO HB2 . 11404 1 603 . 1 1 58 58 PRO HB3 H 1 0.924 0.030 . 2 . . . . 58 PRO HB3 . 11404 1 604 . 1 1 58 58 PRO HD2 H 1 3.583 0.030 . 2 . . . . 58 PRO HD2 . 11404 1 605 . 1 1 58 58 PRO HD3 H 1 3.879 0.030 . 2 . . . . 58 PRO HD3 . 11404 1 606 . 1 1 58 58 PRO HG2 H 1 0.284 0.030 . 2 . . . . 58 PRO HG2 . 11404 1 607 . 1 1 58 58 PRO HG3 H 1 1.236 0.030 . 2 . . . . 58 PRO HG3 . 11404 1 608 . 1 1 58 58 PRO C C 13 176.908 0.300 . 1 . . . . 58 PRO C . 11404 1 609 . 1 1 58 58 PRO CA C 13 61.905 0.300 . 1 . . . . 58 PRO CA . 11404 1 610 . 1 1 58 58 PRO CB C 13 30.546 0.300 . 1 . . . . 58 PRO CB . 11404 1 611 . 1 1 58 58 PRO CD C 13 51.371 0.300 . 1 . . . . 58 PRO CD . 11404 1 612 . 1 1 58 58 PRO CG C 13 26.129 0.300 . 1 . . . . 58 PRO CG . 11404 1 613 . 1 1 59 59 HIS H H 1 8.096 0.030 . 1 . . . . 59 HIS H . 11404 1 614 . 1 1 59 59 HIS HA H 1 4.246 0.030 . 1 . . . . 59 HIS HA . 11404 1 615 . 1 1 59 59 HIS HB2 H 1 2.833 0.030 . 2 . . . . 59 HIS HB2 . 11404 1 616 . 1 1 59 59 HIS HB3 H 1 2.935 0.030 . 2 . . . . 59 HIS HB3 . 11404 1 617 . 1 1 59 59 HIS HD2 H 1 6.909 0.030 . 1 . . . . 59 HIS HD2 . 11404 1 618 . 1 1 59 59 HIS HE1 H 1 7.785 0.030 . 1 . . . . 59 HIS HE1 . 11404 1 619 . 1 1 59 59 HIS C C 13 176.460 0.300 . 1 . . . . 59 HIS C . 11404 1 620 . 1 1 59 59 HIS CA C 13 60.156 0.300 . 1 . . . . 59 HIS CA . 11404 1 621 . 1 1 59 59 HIS CB C 13 32.706 0.300 . 1 . . . . 59 HIS CB . 11404 1 622 . 1 1 59 59 HIS CD2 C 13 117.508 0.300 . 1 . . . . 59 HIS CD2 . 11404 1 623 . 1 1 59 59 HIS CE1 C 13 138.172 0.300 . 1 . . . . 59 HIS CE1 . 11404 1 624 . 1 1 59 59 HIS N N 15 125.299 0.300 . 1 . . . . 59 HIS N . 11404 1 625 . 1 1 60 60 LYS H H 1 8.449 0.030 . 1 . . . . 60 LYS H . 11404 1 626 . 1 1 60 60 LYS HA H 1 3.982 0.030 . 1 . . . . 60 LYS HA . 11404 1 627 . 1 1 60 60 LYS HB2 H 1 1.612 0.030 . 2 . . . . 60 LYS HB2 . 11404 1 628 . 1 1 60 60 LYS HB3 H 1 1.574 0.030 . 2 . . . . 60 LYS HB3 . 11404 1 629 . 1 1 60 60 LYS HD2 H 1 1.510 0.030 . 1 . . . . 60 LYS HD2 . 11404 1 630 . 1 1 60 60 LYS HD3 H 1 1.510 0.030 . 1 . . . . 60 LYS HD3 . 11404 1 631 . 1 1 60 60 LYS HE2 H 1 2.829 0.030 . 1 . . . . 60 LYS HE2 . 11404 1 632 . 1 1 60 60 LYS HE3 H 1 2.829 0.030 . 1 . . . . 60 LYS HE3 . 11404 1 633 . 1 1 60 60 LYS HG2 H 1 1.161 0.030 . 2 . . . . 60 LYS HG2 . 11404 1 634 . 1 1 60 60 LYS HG3 H 1 1.054 0.030 . 2 . . . . 60 LYS HG3 . 11404 1 635 . 1 1 60 60 LYS C C 13 176.405 0.300 . 1 . . . . 60 LYS C . 11404 1 636 . 1 1 60 60 LYS CA C 13 57.907 0.300 . 1 . . . . 60 LYS CA . 11404 1 637 . 1 1 60 60 LYS CB C 13 32.030 0.300 . 1 . . . . 60 LYS CB . 11404 1 638 . 1 1 60 60 LYS CD C 13 29.171 0.300 . 1 . . . . 60 LYS CD . 11404 1 639 . 1 1 60 60 LYS CE C 13 41.989 0.300 . 1 . . . . 60 LYS CE . 11404 1 640 . 1 1 60 60 LYS CG C 13 24.986 0.300 . 1 . . . . 60 LYS CG . 11404 1 641 . 1 1 60 60 LYS N N 15 112.376 0.300 . 1 . . . . 60 LYS N . 11404 1 642 . 1 1 61 61 TYR H H 1 7.327 0.030 . 1 . . . . 61 TYR H . 11404 1 643 . 1 1 61 61 TYR HA H 1 4.703 0.030 . 1 . . . . 61 TYR HA . 11404 1 644 . 1 1 61 61 TYR HB2 H 1 3.867 0.030 . 2 . . . . 61 TYR HB2 . 11404 1 645 . 1 1 61 61 TYR HB3 H 1 2.815 0.030 . 2 . . . . 61 TYR HB3 . 11404 1 646 . 1 1 61 61 TYR HD1 H 1 6.869 0.030 . 1 . . . . 61 TYR HD1 . 11404 1 647 . 1 1 61 61 TYR HD2 H 1 6.869 0.030 . 1 . . . . 61 TYR HD2 . 11404 1 648 . 1 1 61 61 TYR HE1 H 1 6.797 0.030 . 1 . . . . 61 TYR HE1 . 11404 1 649 . 1 1 61 61 TYR HE2 H 1 6.797 0.030 . 1 . . . . 61 TYR HE2 . 11404 1 650 . 1 1 61 61 TYR C C 13 174.706 0.300 . 1 . . . . 61 TYR C . 11404 1 651 . 1 1 61 61 TYR CA C 13 58.138 0.300 . 1 . . . . 61 TYR CA . 11404 1 652 . 1 1 61 61 TYR CB C 13 38.387 0.300 . 1 . . . . 61 TYR CB . 11404 1 653 . 1 1 61 61 TYR CD1 C 13 133.021 0.300 . 1 . . . . 61 TYR CD1 . 11404 1 654 . 1 1 61 61 TYR CD2 C 13 133.021 0.300 . 1 . . . . 61 TYR CD2 . 11404 1 655 . 1 1 61 61 TYR CE1 C 13 118.153 0.300 . 1 . . . . 61 TYR CE1 . 11404 1 656 . 1 1 61 61 TYR CE2 C 13 118.153 0.300 . 1 . . . . 61 TYR CE2 . 11404 1 657 . 1 1 61 61 TYR N N 15 116.435 0.300 . 1 . . . . 61 TYR N . 11404 1 658 . 1 1 62 62 ILE H H 1 7.172 0.030 . 1 . . . . 62 ILE H . 11404 1 659 . 1 1 62 62 ILE HA H 1 4.981 0.030 . 1 . . . . 62 ILE HA . 11404 1 660 . 1 1 62 62 ILE HB H 1 1.361 0.030 . 1 . . . . 62 ILE HB . 11404 1 661 . 1 1 62 62 ILE HD11 H 1 0.180 0.030 . 1 . . . . 62 ILE HD1 . 11404 1 662 . 1 1 62 62 ILE HD12 H 1 0.180 0.030 . 1 . . . . 62 ILE HD1 . 11404 1 663 . 1 1 62 62 ILE HD13 H 1 0.180 0.030 . 1 . . . . 62 ILE HD1 . 11404 1 664 . 1 1 62 62 ILE HG12 H 1 1.040 0.030 . 2 . . . . 62 ILE HG12 . 11404 1 665 . 1 1 62 62 ILE HG13 H 1 1.003 0.030 . 2 . . . . 62 ILE HG13 . 11404 1 666 . 1 1 62 62 ILE HG21 H 1 0.339 0.030 . 1 . . . . 62 ILE HG2 . 11404 1 667 . 1 1 62 62 ILE HG22 H 1 0.339 0.030 . 1 . . . . 62 ILE HG2 . 11404 1 668 . 1 1 62 62 ILE HG23 H 1 0.339 0.030 . 1 . . . . 62 ILE HG2 . 11404 1 669 . 1 1 62 62 ILE C C 13 174.794 0.300 . 1 . . . . 62 ILE C . 11404 1 670 . 1 1 62 62 ILE CA C 13 59.293 0.300 . 1 . . . . 62 ILE CA . 11404 1 671 . 1 1 62 62 ILE CB C 13 42.100 0.300 . 1 . . . . 62 ILE CB . 11404 1 672 . 1 1 62 62 ILE CD1 C 13 14.740 0.300 . 1 . . . . 62 ILE CD1 . 11404 1 673 . 1 1 62 62 ILE CG1 C 13 24.774 0.300 . 1 . . . . 62 ILE CG1 . 11404 1 674 . 1 1 62 62 ILE CG2 C 13 18.622 0.300 . 1 . . . . 62 ILE CG2 . 11404 1 675 . 1 1 62 62 ILE N N 15 112.098 0.300 . 1 . . . . 62 ILE N . 11404 1 676 . 1 1 63 63 THR H H 1 8.664 0.030 . 1 . . . . 63 THR H . 11404 1 677 . 1 1 63 63 THR HA H 1 4.405 0.030 . 1 . . . . 63 THR HA . 11404 1 678 . 1 1 63 63 THR HB H 1 3.820 0.030 . 1 . . . . 63 THR HB . 11404 1 679 . 1 1 63 63 THR HG21 H 1 1.073 0.030 . 1 . . . . 63 THR HG2 . 11404 1 680 . 1 1 63 63 THR HG22 H 1 1.073 0.030 . 1 . . . . 63 THR HG2 . 11404 1 681 . 1 1 63 63 THR HG23 H 1 1.073 0.030 . 1 . . . . 63 THR HG2 . 11404 1 682 . 1 1 63 63 THR C C 13 173.804 0.300 . 1 . . . . 63 THR C . 11404 1 683 . 1 1 63 63 THR CA C 13 61.195 0.300 . 1 . . . . 63 THR CA . 11404 1 684 . 1 1 63 63 THR CB C 13 70.281 0.300 . 1 . . . . 63 THR CB . 11404 1 685 . 1 1 63 63 THR CG2 C 13 21.866 0.300 . 1 . . . . 63 THR CG2 . 11404 1 686 . 1 1 63 63 THR N N 15 118.274 0.300 . 1 . . . . 63 THR N . 11404 1 687 . 1 1 64 64 LEU H H 1 8.649 0.030 . 1 . . . . 64 LEU H . 11404 1 688 . 1 1 64 64 LEU HA H 1 4.472 0.030 . 1 . . . . 64 LEU HA . 11404 1 689 . 1 1 64 64 LEU HB2 H 1 1.572 0.030 . 2 . . . . 64 LEU HB2 . 11404 1 690 . 1 1 64 64 LEU HB3 H 1 1.530 0.030 . 2 . . . . 64 LEU HB3 . 11404 1 691 . 1 1 64 64 LEU HD11 H 1 0.923 0.030 . 1 . . . . 64 LEU HD1 . 11404 1 692 . 1 1 64 64 LEU HD12 H 1 0.923 0.030 . 1 . . . . 64 LEU HD1 . 11404 1 693 . 1 1 64 64 LEU HD13 H 1 0.923 0.030 . 1 . . . . 64 LEU HD1 . 11404 1 694 . 1 1 64 64 LEU HD21 H 1 0.624 0.030 . 1 . . . . 64 LEU HD2 . 11404 1 695 . 1 1 64 64 LEU HD22 H 1 0.624 0.030 . 1 . . . . 64 LEU HD2 . 11404 1 696 . 1 1 64 64 LEU HD23 H 1 0.624 0.030 . 1 . . . . 64 LEU HD2 . 11404 1 697 . 1 1 64 64 LEU HG H 1 1.497 0.030 . 1 . . . . 64 LEU HG . 11404 1 698 . 1 1 64 64 LEU C C 13 174.812 0.300 . 1 . . . . 64 LEU C . 11404 1 699 . 1 1 64 64 LEU CA C 13 52.875 0.300 . 1 . . . . 64 LEU CA . 11404 1 700 . 1 1 64 64 LEU CB C 13 41.364 0.300 . 1 . . . . 64 LEU CB . 11404 1 701 . 1 1 64 64 LEU CD1 C 13 25.582 0.300 . 2 . . . . 64 LEU CD1 . 11404 1 702 . 1 1 64 64 LEU CD2 C 13 24.390 0.300 . 2 . . . . 64 LEU CD2 . 11404 1 703 . 1 1 64 64 LEU CG C 13 27.980 0.300 . 1 . . . . 64 LEU CG . 11404 1 704 . 1 1 64 64 LEU N N 15 129.374 0.300 . 1 . . . . 64 LEU N . 11404 1 705 . 1 1 65 65 PRO HA H 1 4.391 0.030 . 1 . . . . 65 PRO HA . 11404 1 706 . 1 1 65 65 PRO HB2 H 1 2.303 0.030 . 2 . . . . 65 PRO HB2 . 11404 1 707 . 1 1 65 65 PRO HB3 H 1 1.890 0.030 . 2 . . . . 65 PRO HB3 . 11404 1 708 . 1 1 65 65 PRO HD2 H 1 3.491 0.030 . 2 . . . . 65 PRO HD2 . 11404 1 709 . 1 1 65 65 PRO HD3 H 1 3.742 0.030 . 2 . . . . 65 PRO HD3 . 11404 1 710 . 1 1 65 65 PRO HG2 H 1 2.041 0.030 . 1 . . . . 65 PRO HG2 . 11404 1 711 . 1 1 65 65 PRO HG3 H 1 2.041 0.030 . 1 . . . . 65 PRO HG3 . 11404 1 712 . 1 1 65 65 PRO C C 13 176.856 0.300 . 1 . . . . 65 PRO C . 11404 1 713 . 1 1 65 65 PRO CA C 13 62.842 0.300 . 1 . . . . 65 PRO CA . 11404 1 714 . 1 1 65 65 PRO CB C 13 31.985 0.300 . 1 . . . . 65 PRO CB . 11404 1 715 . 1 1 65 65 PRO CD C 13 50.461 0.300 . 1 . . . . 65 PRO CD . 11404 1 716 . 1 1 65 65 PRO CG C 13 27.606 0.300 . 1 . . . . 65 PRO CG . 11404 1 717 . 1 1 66 66 ALA H H 1 8.546 0.030 . 1 . . . . 66 ALA H . 11404 1 718 . 1 1 66 66 ALA HA H 1 4.282 0.030 . 1 . . . . 66 ALA HA . 11404 1 719 . 1 1 66 66 ALA HB1 H 1 1.403 0.030 . 1 . . . . 66 ALA HB . 11404 1 720 . 1 1 66 66 ALA HB2 H 1 1.403 0.030 . 1 . . . . 66 ALA HB . 11404 1 721 . 1 1 66 66 ALA HB3 H 1 1.403 0.030 . 1 . . . . 66 ALA HB . 11404 1 722 . 1 1 66 66 ALA C C 13 178.568 0.300 . 1 . . . . 66 ALA C . 11404 1 723 . 1 1 66 66 ALA CA C 13 53.007 0.300 . 1 . . . . 66 ALA CA . 11404 1 724 . 1 1 66 66 ALA CB C 13 19.158 0.300 . 1 . . . . 66 ALA CB . 11404 1 725 . 1 1 66 66 ALA N N 15 125.262 0.300 . 1 . . . . 66 ALA N . 11404 1 726 . 1 1 67 67 GLY H H 1 8.592 0.030 . 1 . . . . 67 GLY H . 11404 1 727 . 1 1 67 67 GLY HA2 H 1 3.960 0.030 . 2 . . . . 67 GLY HA2 . 11404 1 728 . 1 1 67 67 GLY HA3 H 1 4.082 0.030 . 2 . . . . 67 GLY HA3 . 11404 1 729 . 1 1 67 67 GLY C C 13 174.861 0.300 . 1 . . . . 67 GLY C . 11404 1 730 . 1 1 67 67 GLY CA C 13 45.450 0.300 . 1 . . . . 67 GLY CA . 11404 1 731 . 1 1 67 67 GLY N N 15 108.942 0.300 . 1 . . . . 67 GLY N . 11404 1 732 . 1 1 68 68 THR H H 1 7.972 0.030 . 1 . . . . 68 THR H . 11404 1 733 . 1 1 68 68 THR HA H 1 4.272 0.030 . 1 . . . . 68 THR HA . 11404 1 734 . 1 1 68 68 THR HB H 1 4.233 0.030 . 1 . . . . 68 THR HB . 11404 1 735 . 1 1 68 68 THR HG21 H 1 1.220 0.030 . 1 . . . . 68 THR HG2 . 11404 1 736 . 1 1 68 68 THR HG22 H 1 1.220 0.030 . 1 . . . . 68 THR HG2 . 11404 1 737 . 1 1 68 68 THR HG23 H 1 1.220 0.030 . 1 . . . . 68 THR HG2 . 11404 1 738 . 1 1 68 68 THR C C 13 174.956 0.300 . 1 . . . . 68 THR C . 11404 1 739 . 1 1 68 68 THR CA C 13 62.924 0.300 . 1 . . . . 68 THR CA . 11404 1 740 . 1 1 68 68 THR CB C 13 69.647 0.300 . 1 . . . . 68 THR CB . 11404 1 741 . 1 1 68 68 THR CG2 C 13 21.901 0.300 . 1 . . . . 68 THR CG2 . 11404 1 742 . 1 1 68 68 THR N N 15 113.562 0.300 . 1 . . . . 68 THR N . 11404 1 743 . 1 1 69 69 GLU H H 1 8.661 0.030 . 1 . . . . 69 GLU H . 11404 1 744 . 1 1 69 69 GLU HA H 1 4.283 0.030 . 1 . . . . 69 GLU HA . 11404 1 745 . 1 1 69 69 GLU HB2 H 1 1.978 0.030 . 2 . . . . 69 GLU HB2 . 11404 1 746 . 1 1 69 69 GLU HB3 H 1 2.066 0.030 . 2 . . . . 69 GLU HB3 . 11404 1 747 . 1 1 69 69 GLU HG2 H 1 2.322 0.030 . 2 . . . . 69 GLU HG2 . 11404 1 748 . 1 1 69 69 GLU HG3 H 1 2.235 0.030 . 2 . . . . 69 GLU HG3 . 11404 1 749 . 1 1 69 69 GLU C C 13 176.453 0.300 . 1 . . . . 69 GLU C . 11404 1 750 . 1 1 69 69 GLU CA C 13 57.202 0.300 . 1 . . . . 69 GLU CA . 11404 1 751 . 1 1 69 69 GLU CB C 13 30.157 0.300 . 1 . . . . 69 GLU CB . 11404 1 752 . 1 1 69 69 GLU CG C 13 36.489 0.300 . 1 . . . . 69 GLU CG . 11404 1 753 . 1 1 69 69 GLU N N 15 123.188 0.300 . 1 . . . . 69 GLU N . 11404 1 754 . 1 1 70 70 LYS H H 1 8.270 0.030 . 1 . . . . 70 LYS H . 11404 1 755 . 1 1 70 70 LYS HA H 1 4.299 0.030 . 1 . . . . 70 LYS HA . 11404 1 756 . 1 1 70 70 LYS HB2 H 1 1.747 0.030 . 2 . . . . 70 LYS HB2 . 11404 1 757 . 1 1 70 70 LYS HB3 H 1 1.833 0.030 . 2 . . . . 70 LYS HB3 . 11404 1 758 . 1 1 70 70 LYS HD2 H 1 1.699 0.030 . 1 . . . . 70 LYS HD2 . 11404 1 759 . 1 1 70 70 LYS HD3 H 1 1.699 0.030 . 1 . . . . 70 LYS HD3 . 11404 1 760 . 1 1 70 70 LYS HE2 H 1 2.994 0.030 . 1 . . . . 70 LYS HE2 . 11404 1 761 . 1 1 70 70 LYS HE3 H 1 2.994 0.030 . 1 . . . . 70 LYS HE3 . 11404 1 762 . 1 1 70 70 LYS HG2 H 1 1.434 0.030 . 1 . . . . 70 LYS HG2 . 11404 1 763 . 1 1 70 70 LYS HG3 H 1 1.434 0.030 . 1 . . . . 70 LYS HG3 . 11404 1 764 . 1 1 70 70 LYS C C 13 176.442 0.300 . 1 . . . . 70 LYS C . 11404 1 765 . 1 1 70 70 LYS CA C 13 56.619 0.300 . 1 . . . . 70 LYS CA . 11404 1 766 . 1 1 70 70 LYS CB C 13 33.028 0.300 . 1 . . . . 70 LYS CB . 11404 1 767 . 1 1 70 70 LYS CD C 13 29.097 0.300 . 1 . . . . 70 LYS CD . 11404 1 768 . 1 1 70 70 LYS CE C 13 42.220 0.300 . 1 . . . . 70 LYS CE . 11404 1 769 . 1 1 70 70 LYS CG C 13 24.848 0.300 . 1 . . . . 70 LYS CG . 11404 1 770 . 1 1 70 70 LYS N N 15 122.071 0.300 . 1 . . . . 70 LYS N . 11404 1 771 . 1 1 71 71 GLN H H 1 8.356 0.030 . 1 . . . . 71 GLN H . 11404 1 772 . 1 1 71 71 GLN HA H 1 4.295 0.030 . 1 . . . . 71 GLN HA . 11404 1 773 . 1 1 71 71 GLN HB2 H 1 2.078 0.030 . 2 . . . . 71 GLN HB2 . 11404 1 774 . 1 1 71 71 GLN HB3 H 1 1.947 0.030 . 2 . . . . 71 GLN HB3 . 11404 1 775 . 1 1 71 71 GLN HG2 H 1 2.267 0.030 . 1 . . . . 71 GLN HG2 . 11404 1 776 . 1 1 71 71 GLN HG3 H 1 2.267 0.030 . 1 . . . . 71 GLN HG3 . 11404 1 777 . 1 1 71 71 GLN C C 13 175.923 0.300 . 1 . . . . 71 GLN C . 11404 1 778 . 1 1 71 71 GLN CA C 13 56.088 0.300 . 1 . . . . 71 GLN CA . 11404 1 779 . 1 1 71 71 GLN CB C 13 30.334 0.300 . 1 . . . . 71 GLN CB . 11404 1 780 . 1 1 71 71 GLN CG C 13 36.413 0.300 . 1 . . . . 71 GLN CG . 11404 1 781 . 1 1 71 71 GLN N N 15 121.698 0.300 . 1 . . . . 71 GLN N . 11404 1 782 . 1 1 72 72 VAL H H 1 8.241 0.030 . 1 . . . . 72 VAL H . 11404 1 783 . 1 1 72 72 VAL HA H 1 4.075 0.030 . 1 . . . . 72 VAL HA . 11404 1 784 . 1 1 72 72 VAL HB H 1 2.031 0.030 . 1 . . . . 72 VAL HB . 11404 1 785 . 1 1 72 72 VAL HG11 H 1 0.901 0.030 . 1 . . . . 72 VAL HG1 . 11404 1 786 . 1 1 72 72 VAL HG12 H 1 0.901 0.030 . 1 . . . . 72 VAL HG1 . 11404 1 787 . 1 1 72 72 VAL HG13 H 1 0.901 0.030 . 1 . . . . 72 VAL HG1 . 11404 1 788 . 1 1 72 72 VAL HG21 H 1 0.902 0.030 . 1 . . . . 72 VAL HG2 . 11404 1 789 . 1 1 72 72 VAL HG22 H 1 0.902 0.030 . 1 . . . . 72 VAL HG2 . 11404 1 790 . 1 1 72 72 VAL HG23 H 1 0.902 0.030 . 1 . . . . 72 VAL HG2 . 11404 1 791 . 1 1 72 72 VAL C C 13 176.167 0.300 . 1 . . . . 72 VAL C . 11404 1 792 . 1 1 72 72 VAL CA C 13 62.388 0.300 . 1 . . . . 72 VAL CA . 11404 1 793 . 1 1 72 72 VAL CB C 13 32.707 0.300 . 1 . . . . 72 VAL CB . 11404 1 794 . 1 1 72 72 VAL CG1 C 13 21.032 0.300 . 1 . . . . 72 VAL CG1 . 11404 1 795 . 1 1 72 72 VAL CG2 C 13 21.032 0.300 . 1 . . . . 72 VAL CG2 . 11404 1 796 . 1 1 72 72 VAL N N 15 122.325 0.300 . 1 . . . . 72 VAL N . 11404 1 797 . 1 1 73 73 VAL H H 1 8.275 0.030 . 1 . . . . 73 VAL H . 11404 1 798 . 1 1 73 73 VAL HA H 1 4.097 0.030 . 1 . . . . 73 VAL HA . 11404 1 799 . 1 1 73 73 VAL HB H 1 2.033 0.030 . 1 . . . . 73 VAL HB . 11404 1 800 . 1 1 73 73 VAL HG11 H 1 0.902 0.030 . 1 . . . . 73 VAL HG1 . 11404 1 801 . 1 1 73 73 VAL HG12 H 1 0.902 0.030 . 1 . . . . 73 VAL HG1 . 11404 1 802 . 1 1 73 73 VAL HG13 H 1 0.902 0.030 . 1 . . . . 73 VAL HG1 . 11404 1 803 . 1 1 73 73 VAL HG21 H 1 0.902 0.030 . 1 . . . . 73 VAL HG2 . 11404 1 804 . 1 1 73 73 VAL HG22 H 1 0.902 0.030 . 1 . . . . 73 VAL HG2 . 11404 1 805 . 1 1 73 73 VAL HG23 H 1 0.902 0.030 . 1 . . . . 73 VAL HG2 . 11404 1 806 . 1 1 73 73 VAL C C 13 176.615 0.300 . 1 . . . . 73 VAL C . 11404 1 807 . 1 1 73 73 VAL CA C 13 62.553 0.300 . 1 . . . . 73 VAL CA . 11404 1 808 . 1 1 73 73 VAL CB C 13 32.756 0.300 . 1 . . . . 73 VAL CB . 11404 1 809 . 1 1 73 73 VAL CG1 C 13 20.949 0.300 . 1 . . . . 73 VAL CG1 . 11404 1 810 . 1 1 73 73 VAL CG2 C 13 20.949 0.300 . 1 . . . . 73 VAL CG2 . 11404 1 811 . 1 1 73 73 VAL N N 15 124.802 0.300 . 1 . . . . 73 VAL N . 11404 1 812 . 1 1 74 74 GLY H H 1 8.477 0.030 . 1 . . . . 74 GLY H . 11404 1 813 . 1 1 74 74 GLY HA2 H 1 4.047 0.030 . 1 . . . . 74 GLY HA2 . 11404 1 814 . 1 1 74 74 GLY HA3 H 1 4.047 0.030 . 1 . . . . 74 GLY HA3 . 11404 1 815 . 1 1 74 74 GLY C C 13 173.653 0.300 . 1 . . . . 74 GLY C . 11404 1 816 . 1 1 74 74 GLY CA C 13 45.269 0.300 . 1 . . . . 74 GLY CA . 11404 1 817 . 1 1 74 74 GLY N N 15 113.230 0.300 . 1 . . . . 74 GLY N . 11404 1 818 . 1 1 75 75 ALA H H 1 8.186 0.030 . 1 . . . . 75 ALA H . 11404 1 819 . 1 1 75 75 ALA HA H 1 4.349 0.030 . 1 . . . . 75 ALA HA . 11404 1 820 . 1 1 75 75 ALA HB1 H 1 1.376 0.030 . 1 . . . . 75 ALA HB . 11404 1 821 . 1 1 75 75 ALA HB2 H 1 1.376 0.030 . 1 . . . . 75 ALA HB . 11404 1 822 . 1 1 75 75 ALA HB3 H 1 1.376 0.030 . 1 . . . . 75 ALA HB . 11404 1 823 . 1 1 75 75 ALA C C 13 175.419 0.300 . 1 . . . . 75 ALA C . 11404 1 824 . 1 1 75 75 ALA CA C 13 52.357 0.300 . 1 . . . . 75 ALA CA . 11404 1 825 . 1 1 75 75 ALA CB C 13 19.663 0.300 . 1 . . . . 75 ALA CB . 11404 1 826 . 1 1 75 75 ALA N N 15 124.270 0.300 . 1 . . . . 75 ALA N . 11404 1 827 . 1 1 76 76 GLY H H 1 8.021 0.030 . 1 . . . . 76 GLY H . 11404 1 828 . 1 1 76 76 GLY HA2 H 1 3.733 0.030 . 1 . . . . 76 GLY HA2 . 11404 1 829 . 1 1 76 76 GLY HA3 H 1 3.733 0.030 . 1 . . . . 76 GLY HA3 . 11404 1 830 . 1 1 76 76 GLY C C 13 179.150 0.300 . 1 . . . . 76 GLY C . 11404 1 831 . 1 1 76 76 GLY CA C 13 46.173 0.300 . 1 . . . . 76 GLY CA . 11404 1 832 . 1 1 76 76 GLY N N 15 114.545 0.300 . 1 . . . . 76 GLY N . 11404 1 stop_ save_