data_10302 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10302 _Entry.Title ; Solution structures of the SH3 domain of human SH3-containing GRB2-like protein 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-24 _Entry.Accession_date 2008-12-24 _Entry.Last_release_date 2010-01-11 _Entry.Original_release_date 2010-01-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _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 M. Sato . . . 10302 2 S. Koshiba . . . 10302 3 M. Inoue . . . 10302 4 T. Kigawa . . . 10302 5 S. Yokoyama . . . 10302 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10302 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10302 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 296 10302 '15N chemical shifts' 67 10302 '1H chemical shifts' 445 10302 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 . . 2010-01-11 2008-12-24 original author . 10302 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DBM 'BMRB Entry Tracking System' 10302 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10302 _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 structures of the SH3 domain of human SH3-containing GRB2-like protein 2 ; _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 M. Sato . . . 10302 1 2 S. Koshiba . . . 10302 1 3 M. Inoue . . . 10302 1 4 T. Kigawa . . . 10302 1 5 S. Yokoyama . . . 10302 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10302 _Assembly.ID 1 _Assembly.Name 'SH3-containing GRB2-like protein 2' _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 . . yes native no no . . . 10302 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 . PDB 2DBM . . . . . . 10302 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10302 _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 . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGPCCRALYDFEPEN EGELGFKEGDIITLTNQIDE NWYEGMLHGHSGFFPINYVE ILVALPHSGPSSG ; _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 73 _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 2DBM . "Solution Structures Of The Sh3 Domain Of Human Sh3- Containing Grb2-Like Protein 2" . . . . . 100.00 73 100.00 100.00 9.35e-45 . . . . 10302 1 2 no DBJ BAC31888 . "unnamed protein product [Mus musculus]" . . . . . 82.19 352 98.33 98.33 2.75e-36 . . . . 10302 1 3 no DBJ BAE22364 . "unnamed protein product [Mus musculus]" . . . . . 82.19 296 98.33 98.33 5.02e-36 . . . . 10302 1 4 no DBJ BAE23963 . "unnamed protein product [Mus musculus]" . . . . . 82.19 352 98.33 98.33 2.53e-36 . . . . 10302 1 5 no DBJ BAG35315 . "unnamed protein product [Homo sapiens]" . . . . . 82.19 352 100.00 100.00 2.87e-37 . . . . 10302 1 6 no DBJ BAG73715 . "SH3-domain GRB2-like 2 [synthetic construct]" . . . . . 82.19 352 100.00 100.00 2.87e-37 . . . . 10302 1 7 no EMBL CAA67971 . "SH3GL2 [Homo sapiens]" . . . . . 82.19 352 100.00 100.00 2.87e-37 . . . . 10302 1 8 no EMBL CAD97999 . "hypothetical protein [Homo sapiens]" . . . . . 82.19 290 100.00 100.00 3.80e-37 . . . . 10302 1 9 no EMBL CAG46883 . "SH3GL2 [Homo sapiens]" . . . . . 82.19 352 100.00 100.00 2.87e-37 . . . . 10302 1 10 no EMBL CAG46899 . "SH3GL2 [Homo sapiens]" . . . . . 82.19 352 100.00 100.00 2.87e-37 . . . . 10302 1 11 no GB AAC04764 . "EEN-B1 [Homo sapiens]" . . . . . 82.19 352 100.00 100.00 2.87e-37 . . . . 10302 1 12 no GB AAC14883 . "SH3p4 [Rattus norvegicus]" . . . . . 82.19 248 98.33 98.33 1.98e-36 . . . . 10302 1 13 no GB AAH18385 . "SH3-domain GRB2-like 2 [Mus musculus]" . . . . . 82.19 352 98.33 98.33 2.14e-36 . . . . 10302 1 14 no GB AAI23533 . "SH3-domain GRB2-like 2 [Bos taurus]" . . . . . 82.19 352 98.33 98.33 2.75e-36 . . . . 10302 1 15 no GB AAL37407 . "SH3 domain protein 2A [Mus musculus]" . . . . . 82.19 352 98.33 98.33 2.14e-36 . . . . 10302 1 16 no REF NP_001070308 . "endophilin-A1 [Bos taurus]" . . . . . 82.19 352 98.33 98.33 2.75e-36 . . . . 10302 1 17 no REF NP_003017 . "endophilin-A1 [Homo sapiens]" . . . . . 82.19 352 100.00 100.00 2.87e-37 . . . . 10302 1 18 no REF NP_062408 . "endophilin-A1 [Mus musculus]" . . . . . 82.19 352 98.33 98.33 2.14e-36 . . . . 10302 1 19 no REF NP_446387 . "endophilin-A1 [Rattus norvegicus]" . . . . . 82.19 352 98.33 98.33 2.12e-36 . . . . 10302 1 20 no REF XP_001102732 . "PREDICTED: endophilin-A1 [Macaca mulatta]" . . . . . 82.19 506 100.00 100.00 3.72e-36 . . . . 10302 1 21 no SP O35179 . "RecName: Full=Endophilin-A1; AltName: Full=Endophilin-1; AltName: Full=SH3 domain protein 2A; AltName: Full=SH3 domain-containi" . . . . . 82.19 352 98.33 98.33 2.12e-36 . . . . 10302 1 22 no SP Q62420 . "RecName: Full=Endophilin-A1; AltName: Full=Endophilin-1; AltName: Full=SH3 domain protein 2A; AltName: Full=SH3 domain-containi" . . . . . 82.19 352 98.33 98.33 2.14e-36 . . . . 10302 1 23 no SP Q99962 . "RecName: Full=Endophilin-A1; AltName: Full=EEN-B1; AltName: Full=Endophilin-1; AltName: Full=SH3 domain protein 2A; AltName: Fu" . . . . . 82.19 352 100.00 100.00 2.87e-37 . . . . 10302 1 24 no TPG DAA26952 . "TPA: SH3-domain GRB2-like 2 [Bos taurus]" . . . . . 82.19 352 98.33 98.33 2.75e-36 . . . . 10302 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' . 10302 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 . 10302 1 2 . SER . 10302 1 3 . SER . 10302 1 4 . GLY . 10302 1 5 . SER . 10302 1 6 . SER . 10302 1 7 . GLY . 10302 1 8 . PRO . 10302 1 9 . CYS . 10302 1 10 . CYS . 10302 1 11 . ARG . 10302 1 12 . ALA . 10302 1 13 . LEU . 10302 1 14 . TYR . 10302 1 15 . ASP . 10302 1 16 . PHE . 10302 1 17 . GLU . 10302 1 18 . PRO . 10302 1 19 . GLU . 10302 1 20 . ASN . 10302 1 21 . GLU . 10302 1 22 . GLY . 10302 1 23 . GLU . 10302 1 24 . LEU . 10302 1 25 . GLY . 10302 1 26 . PHE . 10302 1 27 . LYS . 10302 1 28 . GLU . 10302 1 29 . GLY . 10302 1 30 . ASP . 10302 1 31 . ILE . 10302 1 32 . ILE . 10302 1 33 . THR . 10302 1 34 . LEU . 10302 1 35 . THR . 10302 1 36 . ASN . 10302 1 37 . GLN . 10302 1 38 . ILE . 10302 1 39 . ASP . 10302 1 40 . GLU . 10302 1 41 . ASN . 10302 1 42 . TRP . 10302 1 43 . TYR . 10302 1 44 . GLU . 10302 1 45 . GLY . 10302 1 46 . MET . 10302 1 47 . LEU . 10302 1 48 . HIS . 10302 1 49 . GLY . 10302 1 50 . HIS . 10302 1 51 . SER . 10302 1 52 . GLY . 10302 1 53 . PHE . 10302 1 54 . PHE . 10302 1 55 . PRO . 10302 1 56 . ILE . 10302 1 57 . ASN . 10302 1 58 . TYR . 10302 1 59 . VAL . 10302 1 60 . GLU . 10302 1 61 . ILE . 10302 1 62 . LEU . 10302 1 63 . VAL . 10302 1 64 . ALA . 10302 1 65 . LEU . 10302 1 66 . PRO . 10302 1 67 . HIS . 10302 1 68 . SER . 10302 1 69 . GLY . 10302 1 70 . PRO . 10302 1 71 . SER . 10302 1 72 . SER . 10302 1 73 . GLY . 10302 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 10302 1 . SER 2 2 10302 1 . SER 3 3 10302 1 . GLY 4 4 10302 1 . SER 5 5 10302 1 . SER 6 6 10302 1 . GLY 7 7 10302 1 . PRO 8 8 10302 1 . CYS 9 9 10302 1 . CYS 10 10 10302 1 . ARG 11 11 10302 1 . ALA 12 12 10302 1 . LEU 13 13 10302 1 . TYR 14 14 10302 1 . ASP 15 15 10302 1 . PHE 16 16 10302 1 . GLU 17 17 10302 1 . PRO 18 18 10302 1 . GLU 19 19 10302 1 . ASN 20 20 10302 1 . GLU 21 21 10302 1 . GLY 22 22 10302 1 . GLU 23 23 10302 1 . LEU 24 24 10302 1 . GLY 25 25 10302 1 . PHE 26 26 10302 1 . LYS 27 27 10302 1 . GLU 28 28 10302 1 . GLY 29 29 10302 1 . ASP 30 30 10302 1 . ILE 31 31 10302 1 . ILE 32 32 10302 1 . THR 33 33 10302 1 . LEU 34 34 10302 1 . THR 35 35 10302 1 . ASN 36 36 10302 1 . GLN 37 37 10302 1 . ILE 38 38 10302 1 . ASP 39 39 10302 1 . GLU 40 40 10302 1 . ASN 41 41 10302 1 . TRP 42 42 10302 1 . TYR 43 43 10302 1 . GLU 44 44 10302 1 . GLY 45 45 10302 1 . MET 46 46 10302 1 . LEU 47 47 10302 1 . HIS 48 48 10302 1 . GLY 49 49 10302 1 . HIS 50 50 10302 1 . SER 51 51 10302 1 . GLY 52 52 10302 1 . PHE 53 53 10302 1 . PHE 54 54 10302 1 . PRO 55 55 10302 1 . ILE 56 56 10302 1 . ASN 57 57 10302 1 . TYR 58 58 10302 1 . VAL 59 59 10302 1 . GLU 60 60 10302 1 . ILE 61 61 10302 1 . LEU 62 62 10302 1 . VAL 63 63 10302 1 . ALA 64 64 10302 1 . LEU 65 65 10302 1 . PRO 66 66 10302 1 . HIS 67 67 10302 1 . SER 68 68 10302 1 . GLY 69 69 10302 1 . PRO 70 70 10302 1 . SER 71 71 10302 1 . SER 72 72 10302 1 . GLY 73 73 10302 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 10302 _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 . . . . . . . . . . . . . . . . . . . . . 10302 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 10302 _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' . . . . . . . . . . . . . . . . . . . plasmid . . P050620-01 . . . . . . 10302 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10302 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SH3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1 . . mM . . . . 10302 1 2 'd-Tris HCl' . . . . . . buffer 20 . . mM . . . . 10302 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10302 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10302 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10302 1 6 H2O . . . . . . solvent 90 . . % . . . . 10302 1 7 D2O . . . . . . solvent 10 . . % . . . . 10302 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 10302 _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 10302 1 pH 7.0 0.05 pH 10302 1 pressure 1 0.001 atm 10302 1 temperature 296 0.1 K 10302 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10302 _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 . . 10302 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10302 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10302 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10302 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10302 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10302 _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.' . . 10302 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10302 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10302 _Software.ID 4 _Software.Name Kujira _Software.Version 0.932 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10302 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10302 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10302 _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.' . . 10302 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10302 5 'structure solution' 10302 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 10302 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 10302 _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 . 700 . . . 10302 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 10302 _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 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10302 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10302 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 10302 _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 . . . . . . . . . 10302 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10302 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10302 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 10302 _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 13C-separated NOESY' 1 $sample_1 isotropic 10302 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10302 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 6 6 SER HA H 1 4.513 0.030 . 1 . . . . 6 SER HA . 10302 1 2 . 1 1 6 6 SER HB2 H 1 3.872 0.030 . 2 . . . . 6 SER HB2 . 10302 1 3 . 1 1 6 6 SER CA C 13 58.613 0.300 . 1 . . . . 6 SER CA . 10302 1 4 . 1 1 6 6 SER CB C 13 64.053 0.300 . 1 . . . . 6 SER CB . 10302 1 5 . 1 1 7 7 GLY H H 1 8.135 0.030 . 1 . . . . 7 GLY H . 10302 1 6 . 1 1 7 7 GLY HA2 H 1 4.222 0.030 . 2 . . . . 7 GLY HA2 . 10302 1 7 . 1 1 7 7 GLY HA3 H 1 3.972 0.030 . 2 . . . . 7 GLY HA3 . 10302 1 8 . 1 1 7 7 GLY CA C 13 44.696 0.300 . 1 . . . . 7 GLY CA . 10302 1 9 . 1 1 7 7 GLY N N 15 110.950 0.300 . 1 . . . . 7 GLY N . 10302 1 10 . 1 1 8 8 PRO HA H 1 4.265 0.030 . 1 . . . . 8 PRO HA . 10302 1 11 . 1 1 8 8 PRO HB2 H 1 2.155 0.030 . 2 . . . . 8 PRO HB2 . 10302 1 12 . 1 1 8 8 PRO HB3 H 1 1.953 0.030 . 2 . . . . 8 PRO HB3 . 10302 1 13 . 1 1 8 8 PRO HD2 H 1 3.729 0.030 . 2 . . . . 8 PRO HD2 . 10302 1 14 . 1 1 8 8 PRO HD3 H 1 3.608 0.030 . 2 . . . . 8 PRO HD3 . 10302 1 15 . 1 1 8 8 PRO HG2 H 1 2.281 0.030 . 2 . . . . 8 PRO HG2 . 10302 1 16 . 1 1 8 8 PRO HG3 H 1 2.031 0.030 . 2 . . . . 8 PRO HG3 . 10302 1 17 . 1 1 8 8 PRO C C 13 177.829 0.300 . 1 . . . . 8 PRO C . 10302 1 18 . 1 1 8 8 PRO CA C 13 63.234 0.300 . 1 . . . . 8 PRO CA . 10302 1 19 . 1 1 8 8 PRO CB C 13 32.158 0.300 . 1 . . . . 8 PRO CB . 10302 1 20 . 1 1 8 8 PRO CD C 13 49.833 0.300 . 1 . . . . 8 PRO CD . 10302 1 21 . 1 1 8 8 PRO CG C 13 28.192 0.300 . 1 . . . . 8 PRO CG . 10302 1 22 . 1 1 9 9 CYS H H 1 9.543 0.030 . 1 . . . . 9 CYS H . 10302 1 23 . 1 1 9 9 CYS HA H 1 5.553 0.030 . 1 . . . . 9 CYS HA . 10302 1 24 . 1 1 9 9 CYS HB2 H 1 3.527 0.030 . 2 . . . . 9 CYS HB2 . 10302 1 25 . 1 1 9 9 CYS HB3 H 1 2.620 0.030 . 2 . . . . 9 CYS HB3 . 10302 1 26 . 1 1 9 9 CYS C C 13 172.842 0.300 . 1 . . . . 9 CYS C . 10302 1 27 . 1 1 9 9 CYS CA C 13 57.309 0.300 . 1 . . . . 9 CYS CA . 10302 1 28 . 1 1 9 9 CYS CB C 13 30.251 0.300 . 1 . . . . 9 CYS CB . 10302 1 29 . 1 1 9 9 CYS N N 15 118.628 0.300 . 1 . . . . 9 CYS N . 10302 1 30 . 1 1 10 10 CYS H H 1 9.252 0.030 . 1 . . . . 10 CYS H . 10302 1 31 . 1 1 10 10 CYS HA H 1 5.316 0.030 . 1 . . . . 10 CYS HA . 10302 1 32 . 1 1 10 10 CYS HB2 H 1 2.728 0.030 . 2 . . . . 10 CYS HB2 . 10302 1 33 . 1 1 10 10 CYS HB3 H 1 2.594 0.030 . 2 . . . . 10 CYS HB3 . 10302 1 34 . 1 1 10 10 CYS C C 13 169.452 0.300 . 1 . . . . 10 CYS C . 10302 1 35 . 1 1 10 10 CYS CA C 13 55.247 0.300 . 1 . . . . 10 CYS CA . 10302 1 36 . 1 1 10 10 CYS CB C 13 33.641 0.300 . 1 . . . . 10 CYS CB . 10302 1 37 . 1 1 10 10 CYS N N 15 116.093 0.300 . 1 . . . . 10 CYS N . 10302 1 38 . 1 1 11 11 ARG H H 1 9.124 0.030 . 1 . . . . 11 ARG H . 10302 1 39 . 1 1 11 11 ARG HA H 1 5.250 0.030 . 1 . . . . 11 ARG HA . 10302 1 40 . 1 1 11 11 ARG HB2 H 1 1.768 0.030 . 2 . . . . 11 ARG HB2 . 10302 1 41 . 1 1 11 11 ARG HB3 H 1 1.443 0.030 . 2 . . . . 11 ARG HB3 . 10302 1 42 . 1 1 11 11 ARG HD2 H 1 3.210 0.030 . 2 . . . . 11 ARG HD2 . 10302 1 43 . 1 1 11 11 ARG HD3 H 1 3.128 0.030 . 2 . . . . 11 ARG HD3 . 10302 1 44 . 1 1 11 11 ARG HG2 H 1 1.351 0.030 . 1 . . . . 11 ARG HG2 . 10302 1 45 . 1 1 11 11 ARG HG3 H 1 1.351 0.030 . 1 . . . . 11 ARG HG3 . 10302 1 46 . 1 1 11 11 ARG C C 13 175.606 0.300 . 1 . . . . 11 ARG C . 10302 1 47 . 1 1 11 11 ARG CA C 13 53.373 0.300 . 1 . . . . 11 ARG CA . 10302 1 48 . 1 1 11 11 ARG CB C 13 34.047 0.300 . 1 . . . . 11 ARG CB . 10302 1 49 . 1 1 11 11 ARG CD C 13 43.419 0.300 . 1 . . . . 11 ARG CD . 10302 1 50 . 1 1 11 11 ARG CG C 13 26.883 0.300 . 1 . . . . 11 ARG CG . 10302 1 51 . 1 1 11 11 ARG N N 15 121.194 0.300 . 1 . . . . 11 ARG N . 10302 1 52 . 1 1 12 12 ALA H H 1 8.920 0.030 . 1 . . . . 12 ALA H . 10302 1 53 . 1 1 12 12 ALA HA H 1 4.166 0.030 . 1 . . . . 12 ALA HA . 10302 1 54 . 1 1 12 12 ALA HB1 H 1 1.402 0.030 . 1 . . . . 12 ALA HB . 10302 1 55 . 1 1 12 12 ALA HB2 H 1 1.402 0.030 . 1 . . . . 12 ALA HB . 10302 1 56 . 1 1 12 12 ALA HB3 H 1 1.402 0.030 . 1 . . . . 12 ALA HB . 10302 1 57 . 1 1 12 12 ALA C C 13 178.722 0.300 . 1 . . . . 12 ALA C . 10302 1 58 . 1 1 12 12 ALA CA C 13 53.103 0.300 . 1 . . . . 12 ALA CA . 10302 1 59 . 1 1 12 12 ALA CB C 13 21.403 0.300 . 1 . . . . 12 ALA CB . 10302 1 60 . 1 1 12 12 ALA N N 15 128.753 0.300 . 1 . . . . 12 ALA N . 10302 1 61 . 1 1 13 13 LEU H H 1 9.443 0.030 . 1 . . . . 13 LEU H . 10302 1 62 . 1 1 13 13 LEU HA H 1 4.077 0.030 . 1 . . . . 13 LEU HA . 10302 1 63 . 1 1 13 13 LEU HB2 H 1 1.036 0.030 . 2 . . . . 13 LEU HB2 . 10302 1 64 . 1 1 13 13 LEU HB3 H 1 0.626 0.030 . 2 . . . . 13 LEU HB3 . 10302 1 65 . 1 1 13 13 LEU HD11 H 1 0.655 0.030 . 1 . . . . 13 LEU HD1 . 10302 1 66 . 1 1 13 13 LEU HD12 H 1 0.655 0.030 . 1 . . . . 13 LEU HD1 . 10302 1 67 . 1 1 13 13 LEU HD13 H 1 0.655 0.030 . 1 . . . . 13 LEU HD1 . 10302 1 68 . 1 1 13 13 LEU HD21 H 1 0.669 0.030 . 1 . . . . 13 LEU HD2 . 10302 1 69 . 1 1 13 13 LEU HD22 H 1 0.669 0.030 . 1 . . . . 13 LEU HD2 . 10302 1 70 . 1 1 13 13 LEU HD23 H 1 0.669 0.030 . 1 . . . . 13 LEU HD2 . 10302 1 71 . 1 1 13 13 LEU HG H 1 1.370 0.030 . 1 . . . . 13 LEU HG . 10302 1 72 . 1 1 13 13 LEU C C 13 175.170 0.300 . 1 . . . . 13 LEU C . 10302 1 73 . 1 1 13 13 LEU CA C 13 55.397 0.300 . 1 . . . . 13 LEU CA . 10302 1 74 . 1 1 13 13 LEU CB C 13 43.158 0.300 . 1 . . . . 13 LEU CB . 10302 1 75 . 1 1 13 13 LEU CD1 C 13 25.475 0.300 . 2 . . . . 13 LEU CD1 . 10302 1 76 . 1 1 13 13 LEU CD2 C 13 22.103 0.300 . 2 . . . . 13 LEU CD2 . 10302 1 77 . 1 1 13 13 LEU CG C 13 26.966 0.300 . 1 . . . . 13 LEU CG . 10302 1 78 . 1 1 13 13 LEU N N 15 126.164 0.300 . 1 . . . . 13 LEU N . 10302 1 79 . 1 1 14 14 TYR H H 1 7.292 0.030 . 1 . . . . 14 TYR H . 10302 1 80 . 1 1 14 14 TYR HA H 1 4.834 0.030 . 1 . . . . 14 TYR HA . 10302 1 81 . 1 1 14 14 TYR HB2 H 1 3.370 0.030 . 2 . . . . 14 TYR HB2 . 10302 1 82 . 1 1 14 14 TYR HB3 H 1 2.501 0.030 . 2 . . . . 14 TYR HB3 . 10302 1 83 . 1 1 14 14 TYR HD1 H 1 6.840 0.030 . 1 . . . . 14 TYR HD1 . 10302 1 84 . 1 1 14 14 TYR HD2 H 1 6.840 0.030 . 1 . . . . 14 TYR HD2 . 10302 1 85 . 1 1 14 14 TYR HE1 H 1 6.692 0.030 . 1 . . . . 14 TYR HE1 . 10302 1 86 . 1 1 14 14 TYR HE2 H 1 6.692 0.030 . 1 . . . . 14 TYR HE2 . 10302 1 87 . 1 1 14 14 TYR C C 13 173.739 0.300 . 1 . . . . 14 TYR C . 10302 1 88 . 1 1 14 14 TYR CA C 13 53.924 0.300 . 1 . . . . 14 TYR CA . 10302 1 89 . 1 1 14 14 TYR CB C 13 42.928 0.300 . 1 . . . . 14 TYR CB . 10302 1 90 . 1 1 14 14 TYR CD1 C 13 134.071 0.300 . 1 . . . . 14 TYR CD1 . 10302 1 91 . 1 1 14 14 TYR CD2 C 13 134.071 0.300 . 1 . . . . 14 TYR CD2 . 10302 1 92 . 1 1 14 14 TYR CE1 C 13 117.704 0.300 . 1 . . . . 14 TYR CE1 . 10302 1 93 . 1 1 14 14 TYR CE2 C 13 117.704 0.300 . 1 . . . . 14 TYR CE2 . 10302 1 94 . 1 1 14 14 TYR N N 15 113.070 0.300 . 1 . . . . 14 TYR N . 10302 1 95 . 1 1 15 15 ASP H H 1 8.589 0.030 . 1 . . . . 15 ASP H . 10302 1 96 . 1 1 15 15 ASP HA H 1 4.715 0.030 . 1 . . . . 15 ASP HA . 10302 1 97 . 1 1 15 15 ASP HB2 H 1 2.786 0.030 . 2 . . . . 15 ASP HB2 . 10302 1 98 . 1 1 15 15 ASP HB3 H 1 2.711 0.030 . 2 . . . . 15 ASP HB3 . 10302 1 99 . 1 1 15 15 ASP C C 13 175.668 0.300 . 1 . . . . 15 ASP C . 10302 1 100 . 1 1 15 15 ASP CA C 13 54.876 0.300 . 1 . . . . 15 ASP CA . 10302 1 101 . 1 1 15 15 ASP CB C 13 41.138 0.300 . 1 . . . . 15 ASP CB . 10302 1 102 . 1 1 15 15 ASP N N 15 118.400 0.300 . 1 . . . . 15 ASP N . 10302 1 103 . 1 1 16 16 PHE H H 1 8.473 0.030 . 1 . . . . 16 PHE H . 10302 1 104 . 1 1 16 16 PHE HA H 1 4.786 0.030 . 1 . . . . 16 PHE HA . 10302 1 105 . 1 1 16 16 PHE HB2 H 1 2.327 0.030 . 2 . . . . 16 PHE HB2 . 10302 1 106 . 1 1 16 16 PHE HB3 H 1 1.135 0.030 . 2 . . . . 16 PHE HB3 . 10302 1 107 . 1 1 16 16 PHE HD1 H 1 6.990 0.030 . 1 . . . . 16 PHE HD1 . 10302 1 108 . 1 1 16 16 PHE HD2 H 1 6.990 0.030 . 1 . . . . 16 PHE HD2 . 10302 1 109 . 1 1 16 16 PHE HE1 H 1 7.267 0.030 . 1 . . . . 16 PHE HE1 . 10302 1 110 . 1 1 16 16 PHE HE2 H 1 7.267 0.030 . 1 . . . . 16 PHE HE2 . 10302 1 111 . 1 1 16 16 PHE HZ H 1 7.353 0.030 . 1 . . . . 16 PHE HZ . 10302 1 112 . 1 1 16 16 PHE C C 13 173.329 0.300 . 1 . . . . 16 PHE C . 10302 1 113 . 1 1 16 16 PHE CA C 13 56.410 0.300 . 1 . . . . 16 PHE CA . 10302 1 114 . 1 1 16 16 PHE CB C 13 42.092 0.300 . 1 . . . . 16 PHE CB . 10302 1 115 . 1 1 16 16 PHE CD1 C 13 132.427 0.300 . 1 . . . . 16 PHE CD1 . 10302 1 116 . 1 1 16 16 PHE CD2 C 13 132.427 0.300 . 1 . . . . 16 PHE CD2 . 10302 1 117 . 1 1 16 16 PHE CE1 C 13 130.750 0.300 . 1 . . . . 16 PHE CE1 . 10302 1 118 . 1 1 16 16 PHE CE2 C 13 130.750 0.300 . 1 . . . . 16 PHE CE2 . 10302 1 119 . 1 1 16 16 PHE CZ C 13 129.064 0.300 . 1 . . . . 16 PHE CZ . 10302 1 120 . 1 1 16 16 PHE N N 15 122.610 0.300 . 1 . . . . 16 PHE N . 10302 1 121 . 1 1 17 17 GLU H H 1 7.932 0.030 . 1 . . . . 17 GLU H . 10302 1 122 . 1 1 17 17 GLU HA H 1 4.588 0.030 . 1 . . . . 17 GLU HA . 10302 1 123 . 1 1 17 17 GLU HB2 H 1 1.737 0.030 . 1 . . . . 17 GLU HB2 . 10302 1 124 . 1 1 17 17 GLU HB3 H 1 1.737 0.030 . 1 . . . . 17 GLU HB3 . 10302 1 125 . 1 1 17 17 GLU HG2 H 1 2.058 0.030 . 1 . . . . 17 GLU HG2 . 10302 1 126 . 1 1 17 17 GLU HG3 H 1 2.058 0.030 . 1 . . . . 17 GLU HG3 . 10302 1 127 . 1 1 17 17 GLU C C 13 172.882 0.300 . 1 . . . . 17 GLU C . 10302 1 128 . 1 1 17 17 GLU CA C 13 51.561 0.300 . 1 . . . . 17 GLU CA . 10302 1 129 . 1 1 17 17 GLU CB C 13 30.015 0.300 . 1 . . . . 17 GLU CB . 10302 1 130 . 1 1 17 17 GLU CG C 13 35.499 0.300 . 1 . . . . 17 GLU CG . 10302 1 131 . 1 1 17 17 GLU N N 15 128.906 0.300 . 1 . . . . 17 GLU N . 10302 1 132 . 1 1 18 18 PRO HA H 1 3.969 0.030 . 1 . . . . 18 PRO HA . 10302 1 133 . 1 1 18 18 PRO HB2 H 1 1.984 0.030 . 2 . . . . 18 PRO HB2 . 10302 1 134 . 1 1 18 18 PRO HB3 H 1 1.828 0.030 . 2 . . . . 18 PRO HB3 . 10302 1 135 . 1 1 18 18 PRO HD2 H 1 3.479 0.030 . 1 . . . . 18 PRO HD2 . 10302 1 136 . 1 1 18 18 PRO HD3 H 1 3.479 0.030 . 1 . . . . 18 PRO HD3 . 10302 1 137 . 1 1 18 18 PRO HG2 H 1 1.876 0.030 . 2 . . . . 18 PRO HG2 . 10302 1 138 . 1 1 18 18 PRO HG3 H 1 1.510 0.030 . 2 . . . . 18 PRO HG3 . 10302 1 139 . 1 1 18 18 PRO C C 13 176.787 0.300 . 1 . . . . 18 PRO C . 10302 1 140 . 1 1 18 18 PRO CA C 13 62.634 0.300 . 1 . . . . 18 PRO CA . 10302 1 141 . 1 1 18 18 PRO CB C 13 33.354 0.300 . 1 . . . . 18 PRO CB . 10302 1 142 . 1 1 18 18 PRO CD C 13 50.734 0.300 . 1 . . . . 18 PRO CD . 10302 1 143 . 1 1 18 18 PRO CG C 13 26.966 0.300 . 1 . . . . 18 PRO CG . 10302 1 144 . 1 1 19 19 GLU H H 1 8.926 0.030 . 1 . . . . 19 GLU H . 10302 1 145 . 1 1 19 19 GLU HA H 1 4.302 0.030 . 1 . . . . 19 GLU HA . 10302 1 146 . 1 1 19 19 GLU HB2 H 1 2.080 0.030 . 2 . . . . 19 GLU HB2 . 10302 1 147 . 1 1 19 19 GLU HB3 H 1 1.975 0.030 . 2 . . . . 19 GLU HB3 . 10302 1 148 . 1 1 19 19 GLU HG2 H 1 2.293 0.030 . 2 . . . . 19 GLU HG2 . 10302 1 149 . 1 1 19 19 GLU HG3 H 1 2.184 0.030 . 2 . . . . 19 GLU HG3 . 10302 1 150 . 1 1 19 19 GLU C C 13 175.795 0.300 . 1 . . . . 19 GLU C . 10302 1 151 . 1 1 19 19 GLU CA C 13 56.563 0.300 . 1 . . . . 19 GLU CA . 10302 1 152 . 1 1 19 19 GLU CB C 13 32.290 0.300 . 1 . . . . 19 GLU CB . 10302 1 153 . 1 1 19 19 GLU CG C 13 36.653 0.300 . 1 . . . . 19 GLU CG . 10302 1 154 . 1 1 19 19 GLU N N 15 121.507 0.300 . 1 . . . . 19 GLU N . 10302 1 155 . 1 1 20 20 ASN H H 1 7.736 0.030 . 1 . . . . 20 ASN H . 10302 1 156 . 1 1 20 20 ASN HA H 1 4.955 0.030 . 1 . . . . 20 ASN HA . 10302 1 157 . 1 1 20 20 ASN HB2 H 1 2.707 0.030 . 2 . . . . 20 ASN HB2 . 10302 1 158 . 1 1 20 20 ASN HB3 H 1 2.430 0.030 . 2 . . . . 20 ASN HB3 . 10302 1 159 . 1 1 20 20 ASN HD21 H 1 8.329 0.030 . 2 . . . . 20 ASN HD21 . 10302 1 160 . 1 1 20 20 ASN HD22 H 1 7.046 0.030 . 2 . . . . 20 ASN HD22 . 10302 1 161 . 1 1 20 20 ASN C C 13 174.861 0.300 . 1 . . . . 20 ASN C . 10302 1 162 . 1 1 20 20 ASN CA C 13 51.562 0.300 . 1 . . . . 20 ASN CA . 10302 1 163 . 1 1 20 20 ASN CB C 13 42.048 0.300 . 1 . . . . 20 ASN CB . 10302 1 164 . 1 1 20 20 ASN N N 15 115.855 0.300 . 1 . . . . 20 ASN N . 10302 1 165 . 1 1 20 20 ASN ND2 N 15 118.175 0.300 . 1 . . . . 20 ASN ND2 . 10302 1 166 . 1 1 21 21 GLU H H 1 8.820 0.030 . 1 . . . . 21 GLU H . 10302 1 167 . 1 1 21 21 GLU HA H 1 4.078 0.030 . 1 . . . . 21 GLU HA . 10302 1 168 . 1 1 21 21 GLU HB2 H 1 2.003 0.030 . 1 . . . . 21 GLU HB2 . 10302 1 169 . 1 1 21 21 GLU HB3 H 1 2.003 0.030 . 1 . . . . 21 GLU HB3 . 10302 1 170 . 1 1 21 21 GLU HG2 H 1 2.304 0.030 . 1 . . . . 21 GLU HG2 . 10302 1 171 . 1 1 21 21 GLU HG3 H 1 2.304 0.030 . 1 . . . . 21 GLU HG3 . 10302 1 172 . 1 1 21 21 GLU C C 13 176.797 0.300 . 1 . . . . 21 GLU C . 10302 1 173 . 1 1 21 21 GLU CA C 13 58.195 0.300 . 1 . . . . 21 GLU CA . 10302 1 174 . 1 1 21 21 GLU CB C 13 29.586 0.300 . 1 . . . . 21 GLU CB . 10302 1 175 . 1 1 21 21 GLU CG C 13 36.114 0.300 . 1 . . . . 21 GLU CG . 10302 1 176 . 1 1 21 21 GLU N N 15 122.385 0.300 . 1 . . . . 21 GLU N . 10302 1 177 . 1 1 22 22 GLY H H 1 8.792 0.030 . 1 . . . . 22 GLY H . 10302 1 178 . 1 1 22 22 GLY HA2 H 1 4.163 0.030 . 2 . . . . 22 GLY HA2 . 10302 1 179 . 1 1 22 22 GLY HA3 H 1 3.738 0.030 . 2 . . . . 22 GLY HA3 . 10302 1 180 . 1 1 22 22 GLY C C 13 174.367 0.300 . 1 . . . . 22 GLY C . 10302 1 181 . 1 1 22 22 GLY CA C 13 44.897 0.300 . 1 . . . . 22 GLY CA . 10302 1 182 . 1 1 22 22 GLY N N 15 112.352 0.300 . 1 . . . . 22 GLY N . 10302 1 183 . 1 1 23 23 GLU H H 1 7.251 0.030 . 1 . . . . 23 GLU H . 10302 1 184 . 1 1 23 23 GLU HA H 1 4.715 0.030 . 1 . . . . 23 GLU HA . 10302 1 185 . 1 1 23 23 GLU HB2 H 1 2.264 0.030 . 2 . . . . 23 GLU HB2 . 10302 1 186 . 1 1 23 23 GLU HB3 H 1 2.159 0.030 . 2 . . . . 23 GLU HB3 . 10302 1 187 . 1 1 23 23 GLU HG2 H 1 2.399 0.030 . 2 . . . . 23 GLU HG2 . 10302 1 188 . 1 1 23 23 GLU HG3 H 1 2.161 0.030 . 2 . . . . 23 GLU HG3 . 10302 1 189 . 1 1 23 23 GLU C C 13 175.968 0.300 . 1 . . . . 23 GLU C . 10302 1 190 . 1 1 23 23 GLU CA C 13 55.511 0.300 . 1 . . . . 23 GLU CA . 10302 1 191 . 1 1 23 23 GLU CB C 13 31.540 0.300 . 1 . . . . 23 GLU CB . 10302 1 192 . 1 1 23 23 GLU CG C 13 37.845 0.300 . 1 . . . . 23 GLU CG . 10302 1 193 . 1 1 23 23 GLU N N 15 119.298 0.300 . 1 . . . . 23 GLU N . 10302 1 194 . 1 1 24 24 LEU H H 1 8.979 0.030 . 1 . . . . 24 LEU H . 10302 1 195 . 1 1 24 24 LEU HA H 1 4.414 0.030 . 1 . . . . 24 LEU HA . 10302 1 196 . 1 1 24 24 LEU HB2 H 1 2.001 0.030 . 2 . . . . 24 LEU HB2 . 10302 1 197 . 1 1 24 24 LEU HB3 H 1 0.876 0.030 . 2 . . . . 24 LEU HB3 . 10302 1 198 . 1 1 24 24 LEU HD11 H 1 0.929 0.030 . 1 . . . . 24 LEU HD1 . 10302 1 199 . 1 1 24 24 LEU HD12 H 1 0.929 0.030 . 1 . . . . 24 LEU HD1 . 10302 1 200 . 1 1 24 24 LEU HD13 H 1 0.929 0.030 . 1 . . . . 24 LEU HD1 . 10302 1 201 . 1 1 24 24 LEU HD21 H 1 0.737 0.030 . 1 . . . . 24 LEU HD2 . 10302 1 202 . 1 1 24 24 LEU HD22 H 1 0.737 0.030 . 1 . . . . 24 LEU HD2 . 10302 1 203 . 1 1 24 24 LEU HD23 H 1 0.737 0.030 . 1 . . . . 24 LEU HD2 . 10302 1 204 . 1 1 24 24 LEU HG H 1 1.727 0.030 . 1 . . . . 24 LEU HG . 10302 1 205 . 1 1 24 24 LEU C C 13 173.139 0.300 . 1 . . . . 24 LEU C . 10302 1 206 . 1 1 24 24 LEU CA C 13 53.642 0.300 . 1 . . . . 24 LEU CA . 10302 1 207 . 1 1 24 24 LEU CB C 13 45.138 0.300 . 1 . . . . 24 LEU CB . 10302 1 208 . 1 1 24 24 LEU CD1 C 13 23.999 0.300 . 2 . . . . 24 LEU CD1 . 10302 1 209 . 1 1 24 24 LEU CD2 C 13 26.194 0.300 . 2 . . . . 24 LEU CD2 . 10302 1 210 . 1 1 24 24 LEU CG C 13 26.554 0.300 . 1 . . . . 24 LEU CG . 10302 1 211 . 1 1 24 24 LEU N N 15 127.067 0.300 . 1 . . . . 24 LEU N . 10302 1 212 . 1 1 25 25 GLY H H 1 7.921 0.030 . 1 . . . . 25 GLY H . 10302 1 213 . 1 1 25 25 GLY HA2 H 1 4.192 0.030 . 2 . . . . 25 GLY HA2 . 10302 1 214 . 1 1 25 25 GLY HA3 H 1 3.408 0.030 . 2 . . . . 25 GLY HA3 . 10302 1 215 . 1 1 25 25 GLY C C 13 173.343 0.300 . 1 . . . . 25 GLY C . 10302 1 216 . 1 1 25 25 GLY CA C 13 44.756 0.300 . 1 . . . . 25 GLY CA . 10302 1 217 . 1 1 25 25 GLY N N 15 108.558 0.300 . 1 . . . . 25 GLY N . 10302 1 218 . 1 1 26 26 PHE H H 1 7.996 0.030 . 1 . . . . 26 PHE H . 10302 1 219 . 1 1 26 26 PHE HA H 1 4.727 0.030 . 1 . . . . 26 PHE HA . 10302 1 220 . 1 1 26 26 PHE HB2 H 1 3.328 0.030 . 2 . . . . 26 PHE HB2 . 10302 1 221 . 1 1 26 26 PHE HB3 H 1 3.220 0.030 . 2 . . . . 26 PHE HB3 . 10302 1 222 . 1 1 26 26 PHE HD1 H 1 6.738 0.030 . 1 . . . . 26 PHE HD1 . 10302 1 223 . 1 1 26 26 PHE HD2 H 1 6.738 0.030 . 1 . . . . 26 PHE HD2 . 10302 1 224 . 1 1 26 26 PHE HE1 H 1 7.128 0.030 . 1 . . . . 26 PHE HE1 . 10302 1 225 . 1 1 26 26 PHE HE2 H 1 7.128 0.030 . 1 . . . . 26 PHE HE2 . 10302 1 226 . 1 1 26 26 PHE HZ H 1 6.982 0.030 . 1 . . . . 26 PHE HZ . 10302 1 227 . 1 1 26 26 PHE C C 13 174.507 0.300 . 1 . . . . 26 PHE C . 10302 1 228 . 1 1 26 26 PHE CA C 13 56.251 0.300 . 1 . . . . 26 PHE CA . 10302 1 229 . 1 1 26 26 PHE CB C 13 40.305 0.300 . 1 . . . . 26 PHE CB . 10302 1 230 . 1 1 26 26 PHE CD1 C 13 133.353 0.300 . 1 . . . . 26 PHE CD1 . 10302 1 231 . 1 1 26 26 PHE CD2 C 13 133.353 0.300 . 1 . . . . 26 PHE CD2 . 10302 1 232 . 1 1 26 26 PHE CE1 C 13 131.881 0.300 . 1 . . . . 26 PHE CE1 . 10302 1 233 . 1 1 26 26 PHE CE2 C 13 131.881 0.300 . 1 . . . . 26 PHE CE2 . 10302 1 234 . 1 1 26 26 PHE CZ C 13 118.600 0.300 . 1 . . . . 26 PHE CZ . 10302 1 235 . 1 1 26 26 PHE N N 15 112.968 0.300 . 1 . . . . 26 PHE N . 10302 1 236 . 1 1 27 27 LYS H H 1 9.459 0.030 . 1 . . . . 27 LYS H . 10302 1 237 . 1 1 27 27 LYS HA H 1 5.044 0.030 . 1 . . . . 27 LYS HA . 10302 1 238 . 1 1 27 27 LYS HB2 H 1 1.803 0.030 . 1 . . . . 27 LYS HB2 . 10302 1 239 . 1 1 27 27 LYS HB3 H 1 1.803 0.030 . 1 . . . . 27 LYS HB3 . 10302 1 240 . 1 1 27 27 LYS HD2 H 1 1.689 0.030 . 2 . . . . 27 LYS HD2 . 10302 1 241 . 1 1 27 27 LYS HD3 H 1 1.634 0.030 . 2 . . . . 27 LYS HD3 . 10302 1 242 . 1 1 27 27 LYS HE2 H 1 3.037 0.030 . 2 . . . . 27 LYS HE2 . 10302 1 243 . 1 1 27 27 LYS HE3 H 1 2.974 0.030 . 2 . . . . 27 LYS HE3 . 10302 1 244 . 1 1 27 27 LYS HG2 H 1 1.464 0.030 . 1 . . . . 27 LYS HG2 . 10302 1 245 . 1 1 27 27 LYS HG3 H 1 1.464 0.030 . 1 . . . . 27 LYS HG3 . 10302 1 246 . 1 1 27 27 LYS C C 13 175.682 0.300 . 1 . . . . 27 LYS C . 10302 1 247 . 1 1 27 27 LYS CA C 13 52.955 0.300 . 1 . . . . 27 LYS CA . 10302 1 248 . 1 1 27 27 LYS CB C 13 35.248 0.300 . 1 . . . . 27 LYS CB . 10302 1 249 . 1 1 27 27 LYS CD C 13 28.456 0.300 . 1 . . . . 27 LYS CD . 10302 1 250 . 1 1 27 27 LYS CE C 13 42.377 0.300 . 1 . . . . 27 LYS CE . 10302 1 251 . 1 1 27 27 LYS CG C 13 24.507 0.300 . 1 . . . . 27 LYS CG . 10302 1 252 . 1 1 27 27 LYS N N 15 120.550 0.300 . 1 . . . . 27 LYS N . 10302 1 253 . 1 1 28 28 GLU H H 1 9.048 0.030 . 1 . . . . 28 GLU H . 10302 1 254 . 1 1 28 28 GLU HA H 1 3.227 0.030 . 1 . . . . 28 GLU HA . 10302 1 255 . 1 1 28 28 GLU HB2 H 1 1.876 0.030 . 2 . . . . 28 GLU HB2 . 10302 1 256 . 1 1 28 28 GLU HB3 H 1 1.787 0.030 . 2 . . . . 28 GLU HB3 . 10302 1 257 . 1 1 28 28 GLU HG2 H 1 2.132 0.030 . 2 . . . . 28 GLU HG2 . 10302 1 258 . 1 1 28 28 GLU HG3 H 1 1.916 0.030 . 2 . . . . 28 GLU HG3 . 10302 1 259 . 1 1 28 28 GLU C C 13 176.805 0.300 . 1 . . . . 28 GLU C . 10302 1 260 . 1 1 28 28 GLU CA C 13 58.567 0.300 . 1 . . . . 28 GLU CA . 10302 1 261 . 1 1 28 28 GLU CB C 13 29.685 0.300 . 1 . . . . 28 GLU CB . 10302 1 262 . 1 1 28 28 GLU CG C 13 35.200 0.300 . 1 . . . . 28 GLU CG . 10302 1 263 . 1 1 28 28 GLU N N 15 120.481 0.300 . 1 . . . . 28 GLU N . 10302 1 264 . 1 1 29 29 GLY H H 1 8.831 0.030 . 1 . . . . 29 GLY H . 10302 1 265 . 1 1 29 29 GLY HA2 H 1 4.454 0.030 . 2 . . . . 29 GLY HA2 . 10302 1 266 . 1 1 29 29 GLY HA3 H 1 3.436 0.030 . 2 . . . . 29 GLY HA3 . 10302 1 267 . 1 1 29 29 GLY C C 13 174.367 0.300 . 1 . . . . 29 GLY C . 10302 1 268 . 1 1 29 29 GLY CA C 13 44.960 0.300 . 1 . . . . 29 GLY CA . 10302 1 269 . 1 1 29 29 GLY N N 15 115.031 0.300 . 1 . . . . 29 GLY N . 10302 1 270 . 1 1 30 30 ASP H H 1 8.446 0.030 . 1 . . . . 30 ASP H . 10302 1 271 . 1 1 30 30 ASP HA H 1 4.521 0.030 . 1 . . . . 30 ASP HA . 10302 1 272 . 1 1 30 30 ASP HB2 H 1 2.767 0.030 . 2 . . . . 30 ASP HB2 . 10302 1 273 . 1 1 30 30 ASP HB3 H 1 2.296 0.030 . 2 . . . . 30 ASP HB3 . 10302 1 274 . 1 1 30 30 ASP C C 13 175.120 0.300 . 1 . . . . 30 ASP C . 10302 1 275 . 1 1 30 30 ASP CA C 13 56.181 0.300 . 1 . . . . 30 ASP CA . 10302 1 276 . 1 1 30 30 ASP CB C 13 41.580 0.300 . 1 . . . . 30 ASP CB . 10302 1 277 . 1 1 30 30 ASP N N 15 122.671 0.300 . 1 . . . . 30 ASP N . 10302 1 278 . 1 1 31 31 ILE H H 1 8.165 0.030 . 1 . . . . 31 ILE H . 10302 1 279 . 1 1 31 31 ILE HA H 1 4.822 0.030 . 1 . . . . 31 ILE HA . 10302 1 280 . 1 1 31 31 ILE HB H 1 1.904 0.030 . 1 . . . . 31 ILE HB . 10302 1 281 . 1 1 31 31 ILE HD11 H 1 0.733 0.030 . 1 . . . . 31 ILE HD1 . 10302 1 282 . 1 1 31 31 ILE HD12 H 1 0.733 0.030 . 1 . . . . 31 ILE HD1 . 10302 1 283 . 1 1 31 31 ILE HD13 H 1 0.733 0.030 . 1 . . . . 31 ILE HD1 . 10302 1 284 . 1 1 31 31 ILE HG12 H 1 1.544 0.030 . 2 . . . . 31 ILE HG12 . 10302 1 285 . 1 1 31 31 ILE HG13 H 1 1.311 0.030 . 2 . . . . 31 ILE HG13 . 10302 1 286 . 1 1 31 31 ILE HG21 H 1 0.744 0.030 . 1 . . . . 31 ILE HG2 . 10302 1 287 . 1 1 31 31 ILE HG22 H 1 0.744 0.030 . 1 . . . . 31 ILE HG2 . 10302 1 288 . 1 1 31 31 ILE HG23 H 1 0.744 0.030 . 1 . . . . 31 ILE HG2 . 10302 1 289 . 1 1 31 31 ILE C C 13 175.309 0.300 . 1 . . . . 31 ILE C . 10302 1 290 . 1 1 31 31 ILE CA C 13 58.825 0.300 . 1 . . . . 31 ILE CA . 10302 1 291 . 1 1 31 31 ILE CB C 13 36.655 0.300 . 1 . . . . 31 ILE CB . 10302 1 292 . 1 1 31 31 ILE CD1 C 13 10.804 0.300 . 1 . . . . 31 ILE CD1 . 10302 1 293 . 1 1 31 31 ILE CG1 C 13 26.730 0.300 . 1 . . . . 31 ILE CG1 . 10302 1 294 . 1 1 31 31 ILE CG2 C 13 16.993 0.300 . 1 . . . . 31 ILE CG2 . 10302 1 295 . 1 1 31 31 ILE N N 15 120.114 0.300 . 1 . . . . 31 ILE N . 10302 1 296 . 1 1 32 32 ILE H H 1 8.663 0.030 . 1 . . . . 32 ILE H . 10302 1 297 . 1 1 32 32 ILE HA H 1 3.998 0.030 . 1 . . . . 32 ILE HA . 10302 1 298 . 1 1 32 32 ILE HB H 1 1.337 0.030 . 1 . . . . 32 ILE HB . 10302 1 299 . 1 1 32 32 ILE HD11 H 1 -0.547 0.030 . 1 . . . . 32 ILE HD1 . 10302 1 300 . 1 1 32 32 ILE HD12 H 1 -0.547 0.030 . 1 . . . . 32 ILE HD1 . 10302 1 301 . 1 1 32 32 ILE HD13 H 1 -0.547 0.030 . 1 . . . . 32 ILE HD1 . 10302 1 302 . 1 1 32 32 ILE HG12 H 1 0.931 0.030 . 2 . . . . 32 ILE HG12 . 10302 1 303 . 1 1 32 32 ILE HG13 H 1 0.351 0.030 . 2 . . . . 32 ILE HG13 . 10302 1 304 . 1 1 32 32 ILE HG21 H 1 0.455 0.030 . 1 . . . . 32 ILE HG2 . 10302 1 305 . 1 1 32 32 ILE HG22 H 1 0.455 0.030 . 1 . . . . 32 ILE HG2 . 10302 1 306 . 1 1 32 32 ILE HG23 H 1 0.455 0.030 . 1 . . . . 32 ILE HG2 . 10302 1 307 . 1 1 32 32 ILE C C 13 176.801 0.300 . 1 . . . . 32 ILE C . 10302 1 308 . 1 1 32 32 ILE CA C 13 60.694 0.300 . 1 . . . . 32 ILE CA . 10302 1 309 . 1 1 32 32 ILE CB C 13 41.271 0.300 . 1 . . . . 32 ILE CB . 10302 1 310 . 1 1 32 32 ILE CD1 C 13 14.691 0.300 . 1 . . . . 32 ILE CD1 . 10302 1 311 . 1 1 32 32 ILE CG1 C 13 29.174 0.300 . 1 . . . . 32 ILE CG1 . 10302 1 312 . 1 1 32 32 ILE CG2 C 13 18.477 0.300 . 1 . . . . 32 ILE CG2 . 10302 1 313 . 1 1 32 32 ILE N N 15 130.247 0.300 . 1 . . . . 32 ILE N . 10302 1 314 . 1 1 33 33 THR H H 1 8.628 0.030 . 1 . . . . 33 THR H . 10302 1 315 . 1 1 33 33 THR HA H 1 4.325 0.030 . 1 . . . . 33 THR HA . 10302 1 316 . 1 1 33 33 THR HB H 1 4.197 0.030 . 1 . . . . 33 THR HB . 10302 1 317 . 1 1 33 33 THR HG21 H 1 1.257 0.030 . 1 . . . . 33 THR HG2 . 10302 1 318 . 1 1 33 33 THR HG22 H 1 1.257 0.030 . 1 . . . . 33 THR HG2 . 10302 1 319 . 1 1 33 33 THR HG23 H 1 1.257 0.030 . 1 . . . . 33 THR HG2 . 10302 1 320 . 1 1 33 33 THR C C 13 173.989 0.300 . 1 . . . . 33 THR C . 10302 1 321 . 1 1 33 33 THR CA C 13 63.673 0.300 . 1 . . . . 33 THR CA . 10302 1 322 . 1 1 33 33 THR CB C 13 69.957 0.300 . 1 . . . . 33 THR CB . 10302 1 323 . 1 1 33 33 THR CG2 C 13 21.282 0.300 . 1 . . . . 33 THR CG2 . 10302 1 324 . 1 1 33 33 THR N N 15 124.592 0.300 . 1 . . . . 33 THR N . 10302 1 325 . 1 1 34 34 LEU H H 1 7.742 0.030 . 1 . . . . 34 LEU H . 10302 1 326 . 1 1 34 34 LEU HA H 1 4.668 0.030 . 1 . . . . 34 LEU HA . 10302 1 327 . 1 1 34 34 LEU HB2 H 1 1.456 0.030 . 2 . . . . 34 LEU HB2 . 10302 1 328 . 1 1 34 34 LEU HB3 H 1 1.219 0.030 . 2 . . . . 34 LEU HB3 . 10302 1 329 . 1 1 34 34 LEU HD11 H 1 0.667 0.030 . 1 . . . . 34 LEU HD1 . 10302 1 330 . 1 1 34 34 LEU HD12 H 1 0.667 0.030 . 1 . . . . 34 LEU HD1 . 10302 1 331 . 1 1 34 34 LEU HD13 H 1 0.667 0.030 . 1 . . . . 34 LEU HD1 . 10302 1 332 . 1 1 34 34 LEU HD21 H 1 0.659 0.030 . 1 . . . . 34 LEU HD2 . 10302 1 333 . 1 1 34 34 LEU HD22 H 1 0.659 0.030 . 1 . . . . 34 LEU HD2 . 10302 1 334 . 1 1 34 34 LEU HD23 H 1 0.659 0.030 . 1 . . . . 34 LEU HD2 . 10302 1 335 . 1 1 34 34 LEU HG H 1 1.362 0.030 . 1 . . . . 34 LEU HG . 10302 1 336 . 1 1 34 34 LEU C C 13 175.739 0.300 . 1 . . . . 34 LEU C . 10302 1 337 . 1 1 34 34 LEU CA C 13 54.629 0.300 . 1 . . . . 34 LEU CA . 10302 1 338 . 1 1 34 34 LEU CB C 13 44.881 0.300 . 1 . . . . 34 LEU CB . 10302 1 339 . 1 1 34 34 LEU CD1 C 13 25.144 0.300 . 2 . . . . 34 LEU CD1 . 10302 1 340 . 1 1 34 34 LEU CD2 C 13 25.552 0.300 . 2 . . . . 34 LEU CD2 . 10302 1 341 . 1 1 34 34 LEU CG C 13 27.313 0.300 . 1 . . . . 34 LEU CG . 10302 1 342 . 1 1 34 34 LEU N N 15 128.231 0.300 . 1 . . . . 34 LEU N . 10302 1 343 . 1 1 35 35 THR H H 1 9.150 0.030 . 1 . . . . 35 THR H . 10302 1 344 . 1 1 35 35 THR HA H 1 4.491 0.030 . 1 . . . . 35 THR HA . 10302 1 345 . 1 1 35 35 THR HB H 1 4.119 0.030 . 1 . . . . 35 THR HB . 10302 1 346 . 1 1 35 35 THR HG21 H 1 1.078 0.030 . 1 . . . . 35 THR HG2 . 10302 1 347 . 1 1 35 35 THR HG22 H 1 1.078 0.030 . 1 . . . . 35 THR HG2 . 10302 1 348 . 1 1 35 35 THR HG23 H 1 1.078 0.030 . 1 . . . . 35 THR HG2 . 10302 1 349 . 1 1 35 35 THR C C 13 174.942 0.300 . 1 . . . . 35 THR C . 10302 1 350 . 1 1 35 35 THR CA C 13 62.525 0.300 . 1 . . . . 35 THR CA . 10302 1 351 . 1 1 35 35 THR CB C 13 69.478 0.300 . 1 . . . . 35 THR CB . 10302 1 352 . 1 1 35 35 THR CG2 C 13 22.374 0.300 . 1 . . . . 35 THR CG2 . 10302 1 353 . 1 1 35 35 THR N N 15 112.697 0.300 . 1 . . . . 35 THR N . 10302 1 354 . 1 1 36 36 ASN H H 1 7.956 0.030 . 1 . . . . 36 ASN H . 10302 1 355 . 1 1 36 36 ASN HA H 1 4.846 0.030 . 1 . . . . 36 ASN HA . 10302 1 356 . 1 1 36 36 ASN HB2 H 1 2.913 0.030 . 2 . . . . 36 ASN HB2 . 10302 1 357 . 1 1 36 36 ASN HB3 H 1 2.503 0.030 . 2 . . . . 36 ASN HB3 . 10302 1 358 . 1 1 36 36 ASN HD21 H 1 7.824 0.030 . 2 . . . . 36 ASN HD21 . 10302 1 359 . 1 1 36 36 ASN HD22 H 1 6.909 0.030 . 2 . . . . 36 ASN HD22 . 10302 1 360 . 1 1 36 36 ASN C C 13 172.825 0.300 . 1 . . . . 36 ASN C . 10302 1 361 . 1 1 36 36 ASN CA C 13 53.483 0.300 . 1 . . . . 36 ASN CA . 10302 1 362 . 1 1 36 36 ASN CB C 13 42.130 0.300 . 1 . . . . 36 ASN CB . 10302 1 363 . 1 1 36 36 ASN N N 15 117.154 0.300 . 1 . . . . 36 ASN N . 10302 1 364 . 1 1 36 36 ASN ND2 N 15 113.926 0.300 . 1 . . . . 36 ASN ND2 . 10302 1 365 . 1 1 37 37 GLN H H 1 8.675 0.030 . 1 . . . . 37 GLN H . 10302 1 366 . 1 1 37 37 GLN HA H 1 4.525 0.030 . 1 . . . . 37 GLN HA . 10302 1 367 . 1 1 37 37 GLN HB2 H 1 1.947 0.030 . 2 . . . . 37 GLN HB2 . 10302 1 368 . 1 1 37 37 GLN HB3 H 1 1.781 0.030 . 2 . . . . 37 GLN HB3 . 10302 1 369 . 1 1 37 37 GLN HE21 H 1 6.979 0.030 . 2 . . . . 37 GLN HE21 . 10302 1 370 . 1 1 37 37 GLN HE22 H 1 6.709 0.030 . 2 . . . . 37 GLN HE22 . 10302 1 371 . 1 1 37 37 GLN HG2 H 1 2.163 0.030 . 2 . . . . 37 GLN HG2 . 10302 1 372 . 1 1 37 37 GLN HG3 H 1 1.958 0.030 . 2 . . . . 37 GLN HG3 . 10302 1 373 . 1 1 37 37 GLN C C 13 174.550 0.300 . 1 . . . . 37 GLN C . 10302 1 374 . 1 1 37 37 GLN CA C 13 56.181 0.300 . 1 . . . . 37 GLN CA . 10302 1 375 . 1 1 37 37 GLN CB C 13 29.108 0.300 . 1 . . . . 37 GLN CB . 10302 1 376 . 1 1 37 37 GLN CG C 13 33.199 0.300 . 1 . . . . 37 GLN CG . 10302 1 377 . 1 1 37 37 GLN N N 15 123.039 0.300 . 1 . . . . 37 GLN N . 10302 1 378 . 1 1 37 37 GLN NE2 N 15 110.182 0.300 . 1 . . . . 37 GLN NE2 . 10302 1 379 . 1 1 38 38 ILE H H 1 8.294 0.030 . 1 . . . . 38 ILE H . 10302 1 380 . 1 1 38 38 ILE HA H 1 3.852 0.030 . 1 . . . . 38 ILE HA . 10302 1 381 . 1 1 38 38 ILE HB H 1 1.670 0.030 . 1 . . . . 38 ILE HB . 10302 1 382 . 1 1 38 38 ILE HD11 H 1 0.528 0.030 . 1 . . . . 38 ILE HD1 . 10302 1 383 . 1 1 38 38 ILE HD12 H 1 0.528 0.030 . 1 . . . . 38 ILE HD1 . 10302 1 384 . 1 1 38 38 ILE HD13 H 1 0.528 0.030 . 1 . . . . 38 ILE HD1 . 10302 1 385 . 1 1 38 38 ILE HG12 H 1 1.098 0.030 . 2 . . . . 38 ILE HG12 . 10302 1 386 . 1 1 38 38 ILE HG13 H 1 0.978 0.030 . 2 . . . . 38 ILE HG13 . 10302 1 387 . 1 1 38 38 ILE HG21 H 1 0.665 0.030 . 1 . . . . 38 ILE HG2 . 10302 1 388 . 1 1 38 38 ILE HG22 H 1 0.665 0.030 . 1 . . . . 38 ILE HG2 . 10302 1 389 . 1 1 38 38 ILE HG23 H 1 0.665 0.030 . 1 . . . . 38 ILE HG2 . 10302 1 390 . 1 1 38 38 ILE C C 13 175.772 0.300 . 1 . . . . 38 ILE C . 10302 1 391 . 1 1 38 38 ILE CA C 13 62.617 0.300 . 1 . . . . 38 ILE CA . 10302 1 392 . 1 1 38 38 ILE CB C 13 38.050 0.300 . 1 . . . . 38 ILE CB . 10302 1 393 . 1 1 38 38 ILE CD1 C 13 12.050 0.300 . 1 . . . . 38 ILE CD1 . 10302 1 394 . 1 1 38 38 ILE CG1 C 13 27.558 0.300 . 1 . . . . 38 ILE CG1 . 10302 1 395 . 1 1 38 38 ILE CG2 C 13 16.931 0.300 . 1 . . . . 38 ILE CG2 . 10302 1 396 . 1 1 38 38 ILE N N 15 127.499 0.300 . 1 . . . . 38 ILE N . 10302 1 397 . 1 1 39 39 ASP H H 1 8.015 0.030 . 1 . . . . 39 ASP H . 10302 1 398 . 1 1 39 39 ASP HA H 1 4.465 0.030 . 1 . . . . 39 ASP HA . 10302 1 399 . 1 1 39 39 ASP HB2 H 1 3.099 0.030 . 2 . . . . 39 ASP HB2 . 10302 1 400 . 1 1 39 39 ASP HB3 H 1 3.035 0.030 . 2 . . . . 39 ASP HB3 . 10302 1 401 . 1 1 39 39 ASP C C 13 175.412 0.300 . 1 . . . . 39 ASP C . 10302 1 402 . 1 1 39 39 ASP CA C 13 53.465 0.300 . 1 . . . . 39 ASP CA . 10302 1 403 . 1 1 39 39 ASP CB C 13 39.946 0.300 . 1 . . . . 39 ASP CB . 10302 1 404 . 1 1 39 39 ASP N N 15 118.957 0.300 . 1 . . . . 39 ASP N . 10302 1 405 . 1 1 40 40 GLU H H 1 8.764 0.030 . 1 . . . . 40 GLU H . 10302 1 406 . 1 1 40 40 GLU HA H 1 3.916 0.030 . 1 . . . . 40 GLU HA . 10302 1 407 . 1 1 40 40 GLU HB2 H 1 2.006 0.030 . 2 . . . . 40 GLU HB2 . 10302 1 408 . 1 1 40 40 GLU HB3 H 1 1.951 0.030 . 2 . . . . 40 GLU HB3 . 10302 1 409 . 1 1 40 40 GLU HG2 H 1 2.252 0.030 . 1 . . . . 40 GLU HG2 . 10302 1 410 . 1 1 40 40 GLU HG3 H 1 2.252 0.030 . 1 . . . . 40 GLU HG3 . 10302 1 411 . 1 1 40 40 GLU C C 13 175.884 0.300 . 1 . . . . 40 GLU C . 10302 1 412 . 1 1 40 40 GLU CA C 13 58.772 0.300 . 1 . . . . 40 GLU CA . 10302 1 413 . 1 1 40 40 GLU CB C 13 29.438 0.300 . 1 . . . . 40 GLU CB . 10302 1 414 . 1 1 40 40 GLU CG C 13 36.135 0.300 . 1 . . . . 40 GLU CG . 10302 1 415 . 1 1 40 40 GLU N N 15 114.028 0.300 . 1 . . . . 40 GLU N . 10302 1 416 . 1 1 41 41 ASN H H 1 8.852 0.030 . 1 . . . . 41 ASN H . 10302 1 417 . 1 1 41 41 ASN HA H 1 4.846 0.030 . 1 . . . . 41 ASN HA . 10302 1 418 . 1 1 41 41 ASN HB2 H 1 2.643 0.030 . 2 . . . . 41 ASN HB2 . 10302 1 419 . 1 1 41 41 ASN HB3 H 1 2.322 0.030 . 2 . . . . 41 ASN HB3 . 10302 1 420 . 1 1 41 41 ASN HD21 H 1 7.662 0.030 . 2 . . . . 41 ASN HD21 . 10302 1 421 . 1 1 41 41 ASN HD22 H 1 6.876 0.030 . 2 . . . . 41 ASN HD22 . 10302 1 422 . 1 1 41 41 ASN C C 13 175.260 0.300 . 1 . . . . 41 ASN C . 10302 1 423 . 1 1 41 41 ASN CA C 13 54.065 0.300 . 1 . . . . 41 ASN CA . 10302 1 424 . 1 1 41 41 ASN CB C 13 42.389 0.300 . 1 . . . . 41 ASN CB . 10302 1 425 . 1 1 41 41 ASN N N 15 115.151 0.300 . 1 . . . . 41 ASN N . 10302 1 426 . 1 1 41 41 ASN ND2 N 15 114.959 0.300 . 1 . . . . 41 ASN ND2 . 10302 1 427 . 1 1 42 42 TRP H H 1 8.149 0.030 . 1 . . . . 42 TRP H . 10302 1 428 . 1 1 42 42 TRP HA H 1 5.006 0.030 . 1 . . . . 42 TRP HA . 10302 1 429 . 1 1 42 42 TRP HB2 H 1 2.842 0.030 . 2 . . . . 42 TRP HB2 . 10302 1 430 . 1 1 42 42 TRP HB3 H 1 2.778 0.030 . 2 . . . . 42 TRP HB3 . 10302 1 431 . 1 1 42 42 TRP HD1 H 1 7.895 0.030 . 1 . . . . 42 TRP HD1 . 10302 1 432 . 1 1 42 42 TRP HE1 H 1 10.143 0.030 . 1 . . . . 42 TRP HE1 . 10302 1 433 . 1 1 42 42 TRP HE3 H 1 7.398 0.030 . 1 . . . . 42 TRP HE3 . 10302 1 434 . 1 1 42 42 TRP HH2 H 1 7.403 0.030 . 1 . . . . 42 TRP HH2 . 10302 1 435 . 1 1 42 42 TRP HZ2 H 1 7.502 0.030 . 1 . . . . 42 TRP HZ2 . 10302 1 436 . 1 1 42 42 TRP HZ3 H 1 6.944 0.030 . 1 . . . . 42 TRP HZ3 . 10302 1 437 . 1 1 42 42 TRP C C 13 175.014 0.300 . 1 . . . . 42 TRP C . 10302 1 438 . 1 1 42 42 TRP CA C 13 57.370 0.300 . 1 . . . . 42 TRP CA . 10302 1 439 . 1 1 42 42 TRP CB C 13 31.988 0.300 . 1 . . . . 42 TRP CB . 10302 1 440 . 1 1 42 42 TRP CD1 C 13 129.685 0.300 . 1 . . . . 42 TRP CD1 . 10302 1 441 . 1 1 42 42 TRP CE3 C 13 120.015 0.300 . 1 . . . . 42 TRP CE3 . 10302 1 442 . 1 1 42 42 TRP CH2 C 13 125.105 0.300 . 1 . . . . 42 TRP CH2 . 10302 1 443 . 1 1 42 42 TRP CZ2 C 13 114.761 0.300 . 1 . . . . 42 TRP CZ2 . 10302 1 444 . 1 1 42 42 TRP CZ3 C 13 120.395 0.300 . 1 . . . . 42 TRP CZ3 . 10302 1 445 . 1 1 42 42 TRP N N 15 121.448 0.300 . 1 . . . . 42 TRP N . 10302 1 446 . 1 1 42 42 TRP NE1 N 15 129.197 0.300 . 1 . . . . 42 TRP NE1 . 10302 1 447 . 1 1 43 43 TYR H H 1 8.663 0.030 . 1 . . . . 43 TYR H . 10302 1 448 . 1 1 43 43 TYR HA H 1 5.032 0.030 . 1 . . . . 43 TYR HA . 10302 1 449 . 1 1 43 43 TYR HB2 H 1 2.686 0.030 . 2 . . . . 43 TYR HB2 . 10302 1 450 . 1 1 43 43 TYR HB3 H 1 1.721 0.030 . 2 . . . . 43 TYR HB3 . 10302 1 451 . 1 1 43 43 TYR HD1 H 1 6.968 0.030 . 1 . . . . 43 TYR HD1 . 10302 1 452 . 1 1 43 43 TYR HD2 H 1 6.968 0.030 . 1 . . . . 43 TYR HD2 . 10302 1 453 . 1 1 43 43 TYR HE1 H 1 6.683 0.030 . 1 . . . . 43 TYR HE1 . 10302 1 454 . 1 1 43 43 TYR HE2 H 1 6.683 0.030 . 1 . . . . 43 TYR HE2 . 10302 1 455 . 1 1 43 43 TYR C C 13 173.673 0.300 . 1 . . . . 43 TYR C . 10302 1 456 . 1 1 43 43 TYR CA C 13 55.572 0.300 . 1 . . . . 43 TYR CA . 10302 1 457 . 1 1 43 43 TYR CB C 13 42.625 0.300 . 1 . . . . 43 TYR CB . 10302 1 458 . 1 1 43 43 TYR CD1 C 13 132.013 0.300 . 1 . . . . 43 TYR CD1 . 10302 1 459 . 1 1 43 43 TYR CD2 C 13 132.013 0.300 . 1 . . . . 43 TYR CD2 . 10302 1 460 . 1 1 43 43 TYR CE1 C 13 118.222 0.300 . 1 . . . . 43 TYR CE1 . 10302 1 461 . 1 1 43 43 TYR CE2 C 13 118.222 0.300 . 1 . . . . 43 TYR CE2 . 10302 1 462 . 1 1 43 43 TYR N N 15 122.040 0.300 . 1 . . . . 43 TYR N . 10302 1 463 . 1 1 44 44 GLU H H 1 8.785 0.030 . 1 . . . . 44 GLU H . 10302 1 464 . 1 1 44 44 GLU HA H 1 5.186 0.030 . 1 . . . . 44 GLU HA . 10302 1 465 . 1 1 44 44 GLU HB2 H 1 2.040 0.030 . 2 . . . . 44 GLU HB2 . 10302 1 466 . 1 1 44 44 GLU HB3 H 1 1.873 0.030 . 2 . . . . 44 GLU HB3 . 10302 1 467 . 1 1 44 44 GLU HG2 H 1 2.217 0.030 . 2 . . . . 44 GLU HG2 . 10302 1 468 . 1 1 44 44 GLU HG3 H 1 2.102 0.030 . 2 . . . . 44 GLU HG3 . 10302 1 469 . 1 1 44 44 GLU C C 13 175.935 0.300 . 1 . . . . 44 GLU C . 10302 1 470 . 1 1 44 44 GLU CA C 13 54.788 0.300 . 1 . . . . 44 GLU CA . 10302 1 471 . 1 1 44 44 GLU CB C 13 34.076 0.300 . 1 . . . . 44 GLU CB . 10302 1 472 . 1 1 44 44 GLU CG C 13 37.248 0.300 . 1 . . . . 44 GLU CG . 10302 1 473 . 1 1 44 44 GLU N N 15 117.703 0.300 . 1 . . . . 44 GLU N . 10302 1 474 . 1 1 45 45 GLY H H 1 9.046 0.030 . 1 . . . . 45 GLY H . 10302 1 475 . 1 1 45 45 GLY HA2 H 1 5.012 0.030 . 2 . . . . 45 GLY HA2 . 10302 1 476 . 1 1 45 45 GLY HA3 H 1 4.264 0.030 . 2 . . . . 45 GLY HA3 . 10302 1 477 . 1 1 45 45 GLY C C 13 170.922 0.300 . 1 . . . . 45 GLY C . 10302 1 478 . 1 1 45 45 GLY CA C 13 46.536 0.300 . 1 . . . . 45 GLY CA . 10302 1 479 . 1 1 45 45 GLY N N 15 112.097 0.300 . 1 . . . . 45 GLY N . 10302 1 480 . 1 1 46 46 MET H H 1 8.856 0.030 . 1 . . . . 46 MET H . 10302 1 481 . 1 1 46 46 MET HA H 1 5.581 0.030 . 1 . . . . 46 MET HA . 10302 1 482 . 1 1 46 46 MET HB2 H 1 1.924 0.030 . 2 . . . . 46 MET HB2 . 10302 1 483 . 1 1 46 46 MET HB3 H 1 1.816 0.030 . 2 . . . . 46 MET HB3 . 10302 1 484 . 1 1 46 46 MET HE1 H 1 1.992 0.030 . 1 . . . . 46 MET HE . 10302 1 485 . 1 1 46 46 MET HE2 H 1 1.992 0.030 . 1 . . . . 46 MET HE . 10302 1 486 . 1 1 46 46 MET HE3 H 1 1.992 0.030 . 1 . . . . 46 MET HE . 10302 1 487 . 1 1 46 46 MET HG2 H 1 2.406 0.030 . 2 . . . . 46 MET HG2 . 10302 1 488 . 1 1 46 46 MET HG3 H 1 2.366 0.030 . 2 . . . . 46 MET HG3 . 10302 1 489 . 1 1 46 46 MET C C 13 174.128 0.300 . 1 . . . . 46 MET C . 10302 1 490 . 1 1 46 46 MET CA C 13 54.470 0.300 . 1 . . . . 46 MET CA . 10302 1 491 . 1 1 46 46 MET CB C 13 37.391 0.300 . 1 . . . . 46 MET CB . 10302 1 492 . 1 1 46 46 MET CE C 13 16.659 0.300 . 1 . . . . 46 MET CE . 10302 1 493 . 1 1 46 46 MET CG C 13 31.581 0.300 . 1 . . . . 46 MET CG . 10302 1 494 . 1 1 46 46 MET N N 15 116.988 0.300 . 1 . . . . 46 MET N . 10302 1 495 . 1 1 47 47 LEU H H 1 8.845 0.030 . 1 . . . . 47 LEU H . 10302 1 496 . 1 1 47 47 LEU HA H 1 4.556 0.030 . 1 . . . . 47 LEU HA . 10302 1 497 . 1 1 47 47 LEU HB2 H 1 1.788 0.030 . 2 . . . . 47 LEU HB2 . 10302 1 498 . 1 1 47 47 LEU HB3 H 1 1.340 0.030 . 2 . . . . 47 LEU HB3 . 10302 1 499 . 1 1 47 47 LEU HD11 H 1 0.604 0.030 . 1 . . . . 47 LEU HD1 . 10302 1 500 . 1 1 47 47 LEU HD12 H 1 0.604 0.030 . 1 . . . . 47 LEU HD1 . 10302 1 501 . 1 1 47 47 LEU HD13 H 1 0.604 0.030 . 1 . . . . 47 LEU HD1 . 10302 1 502 . 1 1 47 47 LEU HD21 H 1 1.009 0.030 . 1 . . . . 47 LEU HD2 . 10302 1 503 . 1 1 47 47 LEU HD22 H 1 1.009 0.030 . 1 . . . . 47 LEU HD2 . 10302 1 504 . 1 1 47 47 LEU HD23 H 1 1.009 0.030 . 1 . . . . 47 LEU HD2 . 10302 1 505 . 1 1 47 47 LEU HG H 1 1.322 0.030 . 1 . . . . 47 LEU HG . 10302 1 506 . 1 1 47 47 LEU C C 13 175.966 0.300 . 1 . . . . 47 LEU C . 10302 1 507 . 1 1 47 47 LEU CA C 13 54.961 0.300 . 1 . . . . 47 LEU CA . 10302 1 508 . 1 1 47 47 LEU CB C 13 46.265 0.300 . 1 . . . . 47 LEU CB . 10302 1 509 . 1 1 47 47 LEU CD1 C 13 23.244 0.300 . 2 . . . . 47 LEU CD1 . 10302 1 510 . 1 1 47 47 LEU CD2 C 13 27.078 0.300 . 2 . . . . 47 LEU CD2 . 10302 1 511 . 1 1 47 47 LEU CG C 13 27.362 0.300 . 1 . . . . 47 LEU CG . 10302 1 512 . 1 1 47 47 LEU N N 15 124.256 0.300 . 1 . . . . 47 LEU N . 10302 1 513 . 1 1 48 48 HIS H H 1 9.598 0.030 . 1 . . . . 48 HIS H . 10302 1 514 . 1 1 48 48 HIS HA H 1 4.489 0.030 . 1 . . . . 48 HIS HA . 10302 1 515 . 1 1 48 48 HIS HB2 H 1 3.362 0.030 . 1 . . . . 48 HIS HB2 . 10302 1 516 . 1 1 48 48 HIS HB3 H 1 3.362 0.030 . 1 . . . . 48 HIS HB3 . 10302 1 517 . 1 1 48 48 HIS HD2 H 1 7.167 0.030 . 1 . . . . 48 HIS HD2 . 10302 1 518 . 1 1 48 48 HIS C C 13 175.397 0.300 . 1 . . . . 48 HIS C . 10302 1 519 . 1 1 48 48 HIS CA C 13 56.304 0.300 . 1 . . . . 48 HIS CA . 10302 1 520 . 1 1 48 48 HIS CB C 13 28.280 0.300 . 1 . . . . 48 HIS CB . 10302 1 521 . 1 1 48 48 HIS CD2 C 13 119.416 0.300 . 1 . . . . 48 HIS CD2 . 10302 1 522 . 1 1 48 48 HIS N N 15 126.058 0.300 . 1 . . . . 48 HIS N . 10302 1 523 . 1 1 49 49 GLY H H 1 8.726 0.030 . 1 . . . . 49 GLY H . 10302 1 524 . 1 1 49 49 GLY HA2 H 1 4.119 0.030 . 2 . . . . 49 GLY HA2 . 10302 1 525 . 1 1 49 49 GLY HA3 H 1 3.664 0.030 . 2 . . . . 49 GLY HA3 . 10302 1 526 . 1 1 49 49 GLY C C 13 173.784 0.300 . 1 . . . . 49 GLY C . 10302 1 527 . 1 1 49 49 GLY CA C 13 45.602 0.300 . 1 . . . . 49 GLY CA . 10302 1 528 . 1 1 49 49 GLY N N 15 104.310 0.300 . 1 . . . . 49 GLY N . 10302 1 529 . 1 1 50 50 HIS H H 1 8.027 0.030 . 1 . . . . 50 HIS H . 10302 1 530 . 1 1 50 50 HIS HA H 1 4.960 0.030 . 1 . . . . 50 HIS HA . 10302 1 531 . 1 1 50 50 HIS HB2 H 1 3.275 0.030 . 2 . . . . 50 HIS HB2 . 10302 1 532 . 1 1 50 50 HIS HB3 H 1 3.224 0.030 . 2 . . . . 50 HIS HB3 . 10302 1 533 . 1 1 50 50 HIS HD2 H 1 7.280 0.030 . 1 . . . . 50 HIS HD2 . 10302 1 534 . 1 1 50 50 HIS C C 13 173.185 0.300 . 1 . . . . 50 HIS C . 10302 1 535 . 1 1 50 50 HIS CA C 13 54.611 0.300 . 1 . . . . 50 HIS CA . 10302 1 536 . 1 1 50 50 HIS CB C 13 31.495 0.300 . 1 . . . . 50 HIS CB . 10302 1 537 . 1 1 50 50 HIS CD2 C 13 120.690 0.300 . 1 . . . . 50 HIS CD2 . 10302 1 538 . 1 1 50 50 HIS N N 15 120.308 0.300 . 1 . . . . 50 HIS N . 10302 1 539 . 1 1 51 51 SER H H 1 8.641 0.030 . 1 . . . . 51 SER H . 10302 1 540 . 1 1 51 51 SER HA H 1 5.804 0.030 . 1 . . . . 51 SER HA . 10302 1 541 . 1 1 51 51 SER HB2 H 1 3.805 0.030 . 2 . . . . 51 SER HB2 . 10302 1 542 . 1 1 51 51 SER HB3 H 1 3.777 0.030 . 2 . . . . 51 SER HB3 . 10302 1 543 . 1 1 51 51 SER C C 13 174.465 0.300 . 1 . . . . 51 SER C . 10302 1 544 . 1 1 51 51 SER CA C 13 56.648 0.300 . 1 . . . . 51 SER CA . 10302 1 545 . 1 1 51 51 SER CB C 13 66.184 0.300 . 1 . . . . 51 SER CB . 10302 1 546 . 1 1 51 51 SER N N 15 116.317 0.300 . 1 . . . . 51 SER N . 10302 1 547 . 1 1 52 52 GLY H H 1 8.640 0.030 . 1 . . . . 52 GLY H . 10302 1 548 . 1 1 52 52 GLY HA2 H 1 4.070 0.030 . 1 . . . . 52 GLY HA2 . 10302 1 549 . 1 1 52 52 GLY HA3 H 1 4.070 0.030 . 1 . . . . 52 GLY HA3 . 10302 1 550 . 1 1 52 52 GLY C C 13 171.100 0.300 . 1 . . . . 52 GLY C . 10302 1 551 . 1 1 52 52 GLY CA C 13 45.990 0.300 . 1 . . . . 52 GLY CA . 10302 1 552 . 1 1 52 52 GLY N N 15 109.156 0.300 . 1 . . . . 52 GLY N . 10302 1 553 . 1 1 53 53 PHE H H 1 8.220 0.030 . 1 . . . . 53 PHE H . 10302 1 554 . 1 1 53 53 PHE HA H 1 6.430 0.030 . 1 . . . . 53 PHE HA . 10302 1 555 . 1 1 53 53 PHE HB2 H 1 3.187 0.030 . 2 . . . . 53 PHE HB2 . 10302 1 556 . 1 1 53 53 PHE HB3 H 1 3.035 0.030 . 2 . . . . 53 PHE HB3 . 10302 1 557 . 1 1 53 53 PHE HD1 H 1 7.038 0.030 . 1 . . . . 53 PHE HD1 . 10302 1 558 . 1 1 53 53 PHE HD2 H 1 7.038 0.030 . 1 . . . . 53 PHE HD2 . 10302 1 559 . 1 1 53 53 PHE HE1 H 1 7.157 0.030 . 1 . . . . 53 PHE HE1 . 10302 1 560 . 1 1 53 53 PHE HE2 H 1 7.157 0.030 . 1 . . . . 53 PHE HE2 . 10302 1 561 . 1 1 53 53 PHE HZ H 1 7.182 0.030 . 1 . . . . 53 PHE HZ . 10302 1 562 . 1 1 53 53 PHE C C 13 176.868 0.300 . 1 . . . . 53 PHE C . 10302 1 563 . 1 1 53 53 PHE CA C 13 54.594 0.300 . 1 . . . . 53 PHE CA . 10302 1 564 . 1 1 53 53 PHE CB C 13 42.183 0.300 . 1 . . . . 53 PHE CB . 10302 1 565 . 1 1 53 53 PHE CD1 C 13 131.452 0.300 . 1 . . . . 53 PHE CD1 . 10302 1 566 . 1 1 53 53 PHE CD2 C 13 131.452 0.300 . 1 . . . . 53 PHE CD2 . 10302 1 567 . 1 1 53 53 PHE CE1 C 13 131.407 0.300 . 1 . . . . 53 PHE CE1 . 10302 1 568 . 1 1 53 53 PHE CE2 C 13 131.407 0.300 . 1 . . . . 53 PHE CE2 . 10302 1 569 . 1 1 53 53 PHE CZ C 13 129.913 0.300 . 1 . . . . 53 PHE CZ . 10302 1 570 . 1 1 53 53 PHE N N 15 117.011 0.300 . 1 . . . . 53 PHE N . 10302 1 571 . 1 1 54 54 PHE H H 1 9.128 0.030 . 1 . . . . 54 PHE H . 10302 1 572 . 1 1 54 54 PHE HA H 1 5.295 0.030 . 1 . . . . 54 PHE HA . 10302 1 573 . 1 1 54 54 PHE HB2 H 1 3.728 0.030 . 2 . . . . 54 PHE HB2 . 10302 1 574 . 1 1 54 54 PHE HB3 H 1 2.793 0.030 . 2 . . . . 54 PHE HB3 . 10302 1 575 . 1 1 54 54 PHE HD1 H 1 7.090 0.030 . 1 . . . . 54 PHE HD1 . 10302 1 576 . 1 1 54 54 PHE HD2 H 1 7.090 0.030 . 1 . . . . 54 PHE HD2 . 10302 1 577 . 1 1 54 54 PHE HE1 H 1 6.987 0.030 . 1 . . . . 54 PHE HE1 . 10302 1 578 . 1 1 54 54 PHE HE2 H 1 6.987 0.030 . 1 . . . . 54 PHE HE2 . 10302 1 579 . 1 1 54 54 PHE HZ H 1 6.855 0.030 . 1 . . . . 54 PHE HZ . 10302 1 580 . 1 1 54 54 PHE C C 13 171.158 0.300 . 1 . . . . 54 PHE C . 10302 1 581 . 1 1 54 54 PHE CA C 13 55.830 0.300 . 1 . . . . 54 PHE CA . 10302 1 582 . 1 1 54 54 PHE CB C 13 38.910 0.300 . 1 . . . . 54 PHE CB . 10302 1 583 . 1 1 54 54 PHE CD1 C 13 133.541 0.300 . 1 . . . . 54 PHE CD1 . 10302 1 584 . 1 1 54 54 PHE CD2 C 13 133.541 0.300 . 1 . . . . 54 PHE CD2 . 10302 1 585 . 1 1 54 54 PHE CE1 C 13 130.498 0.300 . 1 . . . . 54 PHE CE1 . 10302 1 586 . 1 1 54 54 PHE CE2 C 13 130.498 0.300 . 1 . . . . 54 PHE CE2 . 10302 1 587 . 1 1 54 54 PHE CZ C 13 129.029 0.300 . 1 . . . . 54 PHE CZ . 10302 1 588 . 1 1 54 54 PHE N N 15 116.440 0.300 . 1 . . . . 54 PHE N . 10302 1 589 . 1 1 55 55 PRO HA H 1 4.143 0.030 . 1 . . . . 55 PRO HA . 10302 1 590 . 1 1 55 55 PRO HB2 H 1 1.620 0.030 . 2 . . . . 55 PRO HB2 . 10302 1 591 . 1 1 55 55 PRO HB3 H 1 1.453 0.030 . 2 . . . . 55 PRO HB3 . 10302 1 592 . 1 1 55 55 PRO HD2 H 1 2.835 0.030 . 2 . . . . 55 PRO HD2 . 10302 1 593 . 1 1 55 55 PRO HD3 H 1 2.365 0.030 . 2 . . . . 55 PRO HD3 . 10302 1 594 . 1 1 55 55 PRO HG2 H 1 1.115 0.030 . 2 . . . . 55 PRO HG2 . 10302 1 595 . 1 1 55 55 PRO HG3 H 1 0.867 0.030 . 2 . . . . 55 PRO HG3 . 10302 1 596 . 1 1 55 55 PRO C C 13 178.467 0.300 . 1 . . . . 55 PRO C . 10302 1 597 . 1 1 55 55 PRO CA C 13 61.541 0.300 . 1 . . . . 55 PRO CA . 10302 1 598 . 1 1 55 55 PRO CB C 13 31.431 0.300 . 1 . . . . 55 PRO CB . 10302 1 599 . 1 1 55 55 PRO CD C 13 50.775 0.300 . 1 . . . . 55 PRO CD . 10302 1 600 . 1 1 55 55 PRO CG C 13 27.290 0.300 . 1 . . . . 55 PRO CG . 10302 1 601 . 1 1 56 56 ILE H H 1 7.835 0.030 . 1 . . . . 56 ILE H . 10302 1 602 . 1 1 56 56 ILE HA H 1 3.694 0.030 . 1 . . . . 56 ILE HA . 10302 1 603 . 1 1 56 56 ILE HB H 1 1.347 0.030 . 1 . . . . 56 ILE HB . 10302 1 604 . 1 1 56 56 ILE HD11 H 1 0.295 0.030 . 1 . . . . 56 ILE HD1 . 10302 1 605 . 1 1 56 56 ILE HD12 H 1 0.295 0.030 . 1 . . . . 56 ILE HD1 . 10302 1 606 . 1 1 56 56 ILE HD13 H 1 0.295 0.030 . 1 . . . . 56 ILE HD1 . 10302 1 607 . 1 1 56 56 ILE HG12 H 1 0.923 0.030 . 2 . . . . 56 ILE HG12 . 10302 1 608 . 1 1 56 56 ILE HG13 H 1 0.075 0.030 . 2 . . . . 56 ILE HG13 . 10302 1 609 . 1 1 56 56 ILE HG21 H 1 0.694 0.030 . 1 . . . . 56 ILE HG2 . 10302 1 610 . 1 1 56 56 ILE HG22 H 1 0.694 0.030 . 1 . . . . 56 ILE HG2 . 10302 1 611 . 1 1 56 56 ILE HG23 H 1 0.694 0.030 . 1 . . . . 56 ILE HG2 . 10302 1 612 . 1 1 56 56 ILE C C 13 177.030 0.300 . 1 . . . . 56 ILE C . 10302 1 613 . 1 1 56 56 ILE CA C 13 62.818 0.300 . 1 . . . . 56 ILE CA . 10302 1 614 . 1 1 56 56 ILE CB C 13 38.890 0.300 . 1 . . . . 56 ILE CB . 10302 1 615 . 1 1 56 56 ILE CD1 C 13 13.482 0.300 . 1 . . . . 56 ILE CD1 . 10302 1 616 . 1 1 56 56 ILE CG1 C 13 27.825 0.300 . 1 . . . . 56 ILE CG1 . 10302 1 617 . 1 1 56 56 ILE CG2 C 13 17.014 0.300 . 1 . . . . 56 ILE CG2 . 10302 1 618 . 1 1 56 56 ILE N N 15 123.127 0.300 . 1 . . . . 56 ILE N . 10302 1 619 . 1 1 57 57 ASN H H 1 8.297 0.030 . 1 . . . . 57 ASN H . 10302 1 620 . 1 1 57 57 ASN HA H 1 4.703 0.030 . 1 . . . . 57 ASN HA . 10302 1 621 . 1 1 57 57 ASN HB2 H 1 2.939 0.030 . 2 . . . . 57 ASN HB2 . 10302 1 622 . 1 1 57 57 ASN HB3 H 1 2.777 0.030 . 2 . . . . 57 ASN HB3 . 10302 1 623 . 1 1 57 57 ASN HD21 H 1 7.489 0.030 . 2 . . . . 57 ASN HD21 . 10302 1 624 . 1 1 57 57 ASN HD22 H 1 6.608 0.030 . 2 . . . . 57 ASN HD22 . 10302 1 625 . 1 1 57 57 ASN C C 13 175.689 0.300 . 1 . . . . 57 ASN C . 10302 1 626 . 1 1 57 57 ASN CA C 13 54.118 0.300 . 1 . . . . 57 ASN CA . 10302 1 627 . 1 1 57 57 ASN CB C 13 36.981 0.300 . 1 . . . . 57 ASN CB . 10302 1 628 . 1 1 57 57 ASN N N 15 114.049 0.300 . 1 . . . . 57 ASN N . 10302 1 629 . 1 1 57 57 ASN ND2 N 15 111.165 0.300 . 1 . . . . 57 ASN ND2 . 10302 1 630 . 1 1 58 58 TYR H H 1 7.822 0.030 . 1 . . . . 58 TYR H . 10302 1 631 . 1 1 58 58 TYR HA H 1 4.822 0.030 . 1 . . . . 58 TYR HA . 10302 1 632 . 1 1 58 58 TYR HB2 H 1 3.715 0.030 . 2 . . . . 58 TYR HB2 . 10302 1 633 . 1 1 58 58 TYR HB3 H 1 3.392 0.030 . 2 . . . . 58 TYR HB3 . 10302 1 634 . 1 1 58 58 TYR HD1 H 1 6.724 0.030 . 1 . . . . 58 TYR HD1 . 10302 1 635 . 1 1 58 58 TYR HD2 H 1 6.724 0.030 . 1 . . . . 58 TYR HD2 . 10302 1 636 . 1 1 58 58 TYR HE1 H 1 7.152 0.030 . 1 . . . . 58 TYR HE1 . 10302 1 637 . 1 1 58 58 TYR HE2 H 1 7.152 0.030 . 1 . . . . 58 TYR HE2 . 10302 1 638 . 1 1 58 58 TYR C C 13 175.451 0.300 . 1 . . . . 58 TYR C . 10302 1 639 . 1 1 58 58 TYR CA C 13 58.967 0.300 . 1 . . . . 58 TYR CA . 10302 1 640 . 1 1 58 58 TYR CB C 13 39.602 0.300 . 1 . . . . 58 TYR CB . 10302 1 641 . 1 1 58 58 TYR CD1 C 13 127.841 0.300 . 1 . . . . 58 TYR CD1 . 10302 1 642 . 1 1 58 58 TYR CD2 C 13 127.841 0.300 . 1 . . . . 58 TYR CD2 . 10302 1 643 . 1 1 58 58 TYR CE1 C 13 120.169 0.300 . 1 . . . . 58 TYR CE1 . 10302 1 644 . 1 1 58 58 TYR CE2 C 13 120.169 0.300 . 1 . . . . 58 TYR CE2 . 10302 1 645 . 1 1 58 58 TYR N N 15 118.260 0.300 . 1 . . . . 58 TYR N . 10302 1 646 . 1 1 59 59 VAL H H 1 7.730 0.030 . 1 . . . . 59 VAL H . 10302 1 647 . 1 1 59 59 VAL HA H 1 5.285 0.030 . 1 . . . . 59 VAL HA . 10302 1 648 . 1 1 59 59 VAL HB H 1 1.635 0.030 . 1 . . . . 59 VAL HB . 10302 1 649 . 1 1 59 59 VAL HG11 H 1 0.638 0.030 . 1 . . . . 59 VAL HG1 . 10302 1 650 . 1 1 59 59 VAL HG12 H 1 0.638 0.030 . 1 . . . . 59 VAL HG1 . 10302 1 651 . 1 1 59 59 VAL HG13 H 1 0.638 0.030 . 1 . . . . 59 VAL HG1 . 10302 1 652 . 1 1 59 59 VAL HG21 H 1 1.131 0.030 . 1 . . . . 59 VAL HG2 . 10302 1 653 . 1 1 59 59 VAL HG22 H 1 1.131 0.030 . 1 . . . . 59 VAL HG2 . 10302 1 654 . 1 1 59 59 VAL HG23 H 1 1.131 0.030 . 1 . . . . 59 VAL HG2 . 10302 1 655 . 1 1 59 59 VAL C C 13 173.289 0.300 . 1 . . . . 59 VAL C . 10302 1 656 . 1 1 59 59 VAL CA C 13 58.879 0.300 . 1 . . . . 59 VAL CA . 10302 1 657 . 1 1 59 59 VAL CB C 13 36.453 0.300 . 1 . . . . 59 VAL CB . 10302 1 658 . 1 1 59 59 VAL CG1 C 13 21.589 0.300 . 2 . . . . 59 VAL CG1 . 10302 1 659 . 1 1 59 59 VAL CG2 C 13 17.876 0.300 . 2 . . . . 59 VAL CG2 . 10302 1 660 . 1 1 59 59 VAL N N 15 109.302 0.300 . 1 . . . . 59 VAL N . 10302 1 661 . 1 1 60 60 GLU H H 1 8.909 0.030 . 1 . . . . 60 GLU H . 10302 1 662 . 1 1 60 60 GLU HA H 1 4.822 0.030 . 1 . . . . 60 GLU HA . 10302 1 663 . 1 1 60 60 GLU HB2 H 1 1.926 0.030 . 1 . . . . 60 GLU HB2 . 10302 1 664 . 1 1 60 60 GLU HB3 H 1 1.926 0.030 . 1 . . . . 60 GLU HB3 . 10302 1 665 . 1 1 60 60 GLU HG2 H 1 2.193 0.030 . 2 . . . . 60 GLU HG2 . 10302 1 666 . 1 1 60 60 GLU HG3 H 1 2.094 0.030 . 2 . . . . 60 GLU HG3 . 10302 1 667 . 1 1 60 60 GLU C C 13 176.279 0.300 . 1 . . . . 60 GLU C . 10302 1 668 . 1 1 60 60 GLU CA C 13 53.289 0.300 . 1 . . . . 60 GLU CA . 10302 1 669 . 1 1 60 60 GLU CB C 13 32.576 0.300 . 1 . . . . 60 GLU CB . 10302 1 670 . 1 1 60 60 GLU CG C 13 35.632 0.300 . 1 . . . . 60 GLU CG . 10302 1 671 . 1 1 60 60 GLU N N 15 119.350 0.300 . 1 . . . . 60 GLU N . 10302 1 672 . 1 1 61 61 ILE H H 1 9.181 0.030 . 1 . . . . 61 ILE H . 10302 1 673 . 1 1 61 61 ILE HA H 1 3.589 0.030 . 1 . . . . 61 ILE HA . 10302 1 674 . 1 1 61 61 ILE HB H 1 1.961 0.030 . 1 . . . . 61 ILE HB . 10302 1 675 . 1 1 61 61 ILE HD11 H 1 0.732 0.030 . 1 . . . . 61 ILE HD1 . 10302 1 676 . 1 1 61 61 ILE HD12 H 1 0.732 0.030 . 1 . . . . 61 ILE HD1 . 10302 1 677 . 1 1 61 61 ILE HD13 H 1 0.732 0.030 . 1 . . . . 61 ILE HD1 . 10302 1 678 . 1 1 61 61 ILE HG12 H 1 1.554 0.030 . 2 . . . . 61 ILE HG12 . 10302 1 679 . 1 1 61 61 ILE HG13 H 1 1.294 0.030 . 2 . . . . 61 ILE HG13 . 10302 1 680 . 1 1 61 61 ILE HG21 H 1 0.743 0.030 . 1 . . . . 61 ILE HG2 . 10302 1 681 . 1 1 61 61 ILE HG22 H 1 0.743 0.030 . 1 . . . . 61 ILE HG2 . 10302 1 682 . 1 1 61 61 ILE HG23 H 1 0.743 0.030 . 1 . . . . 61 ILE HG2 . 10302 1 683 . 1 1 61 61 ILE C C 13 175.503 0.300 . 1 . . . . 61 ILE C . 10302 1 684 . 1 1 61 61 ILE CA C 13 62.359 0.300 . 1 . . . . 61 ILE CA . 10302 1 685 . 1 1 61 61 ILE CB C 13 36.774 0.300 . 1 . . . . 61 ILE CB . 10302 1 686 . 1 1 61 61 ILE CD1 C 13 11.461 0.300 . 1 . . . . 61 ILE CD1 . 10302 1 687 . 1 1 61 61 ILE CG1 C 13 27.849 0.300 . 1 . . . . 61 ILE CG1 . 10302 1 688 . 1 1 61 61 ILE CG2 C 13 16.998 0.300 . 1 . . . . 61 ILE CG2 . 10302 1 689 . 1 1 61 61 ILE N N 15 127.216 0.300 . 1 . . . . 61 ILE N . 10302 1 690 . 1 1 62 62 LEU H H 1 8.187 0.030 . 1 . . . . 62 LEU H . 10302 1 691 . 1 1 62 62 LEU HA H 1 4.544 0.030 . 1 . . . . 62 LEU HA . 10302 1 692 . 1 1 62 62 LEU HB2 H 1 2.066 0.030 . 2 . . . . 62 LEU HB2 . 10302 1 693 . 1 1 62 62 LEU HB3 H 1 1.420 0.030 . 2 . . . . 62 LEU HB3 . 10302 1 694 . 1 1 62 62 LEU HD11 H 1 0.815 0.030 . 1 . . . . 62 LEU HD1 . 10302 1 695 . 1 1 62 62 LEU HD12 H 1 0.815 0.030 . 1 . . . . 62 LEU HD1 . 10302 1 696 . 1 1 62 62 LEU HD13 H 1 0.815 0.030 . 1 . . . . 62 LEU HD1 . 10302 1 697 . 1 1 62 62 LEU HD21 H 1 0.754 0.030 . 1 . . . . 62 LEU HD2 . 10302 1 698 . 1 1 62 62 LEU HD22 H 1 0.754 0.030 . 1 . . . . 62 LEU HD2 . 10302 1 699 . 1 1 62 62 LEU HD23 H 1 0.754 0.030 . 1 . . . . 62 LEU HD2 . 10302 1 700 . 1 1 62 62 LEU HG H 1 1.570 0.030 . 1 . . . . 62 LEU HG . 10302 1 701 . 1 1 62 62 LEU C C 13 176.802 0.300 . 1 . . . . 62 LEU C . 10302 1 702 . 1 1 62 62 LEU CA C 13 56.040 0.300 . 1 . . . . 62 LEU CA . 10302 1 703 . 1 1 62 62 LEU CB C 13 42.034 0.300 . 1 . . . . 62 LEU CB . 10302 1 704 . 1 1 62 62 LEU CD1 C 13 25.754 0.300 . 2 . . . . 62 LEU CD1 . 10302 1 705 . 1 1 62 62 LEU CD2 C 13 22.310 0.300 . 2 . . . . 62 LEU CD2 . 10302 1 706 . 1 1 62 62 LEU CG C 13 27.249 0.300 . 1 . . . . 62 LEU CG . 10302 1 707 . 1 1 62 62 LEU N N 15 128.577 0.300 . 1 . . . . 62 LEU N . 10302 1 708 . 1 1 63 63 VAL H H 1 7.621 0.030 . 1 . . . . 63 VAL H . 10302 1 709 . 1 1 63 63 VAL HA H 1 4.047 0.030 . 1 . . . . 63 VAL HA . 10302 1 710 . 1 1 63 63 VAL HB H 1 2.191 0.030 . 1 . . . . 63 VAL HB . 10302 1 711 . 1 1 63 63 VAL HG11 H 1 0.817 0.030 . 1 . . . . 63 VAL HG1 . 10302 1 712 . 1 1 63 63 VAL HG12 H 1 0.817 0.030 . 1 . . . . 63 VAL HG1 . 10302 1 713 . 1 1 63 63 VAL HG13 H 1 0.817 0.030 . 1 . . . . 63 VAL HG1 . 10302 1 714 . 1 1 63 63 VAL HG21 H 1 0.780 0.030 . 1 . . . . 63 VAL HG2 . 10302 1 715 . 1 1 63 63 VAL HG22 H 1 0.780 0.030 . 1 . . . . 63 VAL HG2 . 10302 1 716 . 1 1 63 63 VAL HG23 H 1 0.780 0.030 . 1 . . . . 63 VAL HG2 . 10302 1 717 . 1 1 63 63 VAL C C 13 174.325 0.300 . 1 . . . . 63 VAL C . 10302 1 718 . 1 1 63 63 VAL CA C 13 62.193 0.300 . 1 . . . . 63 VAL CA . 10302 1 719 . 1 1 63 63 VAL CB C 13 34.521 0.300 . 1 . . . . 63 VAL CB . 10302 1 720 . 1 1 63 63 VAL CG1 C 13 20.456 0.300 . 2 . . . . 63 VAL CG1 . 10302 1 721 . 1 1 63 63 VAL CG2 C 13 20.708 0.300 . 2 . . . . 63 VAL CG2 . 10302 1 722 . 1 1 63 63 VAL N N 15 120.921 0.300 . 1 . . . . 63 VAL N . 10302 1 723 . 1 1 64 64 ALA H H 1 8.362 0.030 . 1 . . . . 64 ALA H . 10302 1 724 . 1 1 64 64 ALA HA H 1 4.056 0.030 . 1 . . . . 64 ALA HA . 10302 1 725 . 1 1 64 64 ALA HB1 H 1 1.372 0.030 . 1 . . . . 64 ALA HB . 10302 1 726 . 1 1 64 64 ALA HB2 H 1 1.372 0.030 . 1 . . . . 64 ALA HB . 10302 1 727 . 1 1 64 64 ALA HB3 H 1 1.372 0.030 . 1 . . . . 64 ALA HB . 10302 1 728 . 1 1 64 64 ALA C C 13 178.103 0.300 . 1 . . . . 64 ALA C . 10302 1 729 . 1 1 64 64 ALA CA C 13 52.103 0.300 . 1 . . . . 64 ALA CA . 10302 1 730 . 1 1 64 64 ALA CB C 13 19.754 0.300 . 1 . . . . 64 ALA CB . 10302 1 731 . 1 1 64 64 ALA N N 15 127.282 0.300 . 1 . . . . 64 ALA N . 10302 1 732 . 1 1 65 65 LEU H H 1 8.108 0.030 . 1 . . . . 65 LEU H . 10302 1 733 . 1 1 65 65 LEU HA H 1 4.238 0.030 . 1 . . . . 65 LEU HA . 10302 1 734 . 1 1 65 65 LEU HB2 H 1 1.630 0.030 . 2 . . . . 65 LEU HB2 . 10302 1 735 . 1 1 65 65 LEU HB3 H 1 1.573 0.030 . 2 . . . . 65 LEU HB3 . 10302 1 736 . 1 1 65 65 LEU HD11 H 1 0.902 0.030 . 1 . . . . 65 LEU HD1 . 10302 1 737 . 1 1 65 65 LEU HD12 H 1 0.902 0.030 . 1 . . . . 65 LEU HD1 . 10302 1 738 . 1 1 65 65 LEU HD13 H 1 0.902 0.030 . 1 . . . . 65 LEU HD1 . 10302 1 739 . 1 1 65 65 LEU HD21 H 1 0.756 0.030 . 1 . . . . 65 LEU HD2 . 10302 1 740 . 1 1 65 65 LEU HD22 H 1 0.756 0.030 . 1 . . . . 65 LEU HD2 . 10302 1 741 . 1 1 65 65 LEU HD23 H 1 0.756 0.030 . 1 . . . . 65 LEU HD2 . 10302 1 742 . 1 1 65 65 LEU HG H 1 1.553 0.030 . 1 . . . . 65 LEU HG . 10302 1 743 . 1 1 65 65 LEU C C 13 175.602 0.300 . 1 . . . . 65 LEU C . 10302 1 744 . 1 1 65 65 LEU CA C 13 53.757 0.300 . 1 . . . . 65 LEU CA . 10302 1 745 . 1 1 65 65 LEU CB C 13 41.696 0.300 . 1 . . . . 65 LEU CB . 10302 1 746 . 1 1 65 65 LEU CD1 C 13 25.652 0.300 . 2 . . . . 65 LEU CD1 . 10302 1 747 . 1 1 65 65 LEU CD2 C 13 23.851 0.300 . 2 . . . . 65 LEU CD2 . 10302 1 748 . 1 1 65 65 LEU CG C 13 27.275 0.300 . 1 . . . . 65 LEU CG . 10302 1 749 . 1 1 65 65 LEU N N 15 119.543 0.300 . 1 . . . . 65 LEU N . 10302 1 750 . 1 1 66 66 PRO HA H 1 4.405 0.030 . 1 . . . . 66 PRO HA . 10302 1 751 . 1 1 66 66 PRO HB2 H 1 2.251 0.030 . 2 . . . . 66 PRO HB2 . 10302 1 752 . 1 1 66 66 PRO HB3 H 1 1.879 0.030 . 2 . . . . 66 PRO HB3 . 10302 1 753 . 1 1 66 66 PRO HD2 H 1 3.770 0.030 . 2 . . . . 66 PRO HD2 . 10302 1 754 . 1 1 66 66 PRO HD3 H 1 3.666 0.030 . 2 . . . . 66 PRO HD3 . 10302 1 755 . 1 1 66 66 PRO HG2 H 1 2.028 0.030 . 1 . . . . 66 PRO HG2 . 10302 1 756 . 1 1 66 66 PRO HG3 H 1 2.028 0.030 . 1 . . . . 66 PRO HG3 . 10302 1 757 . 1 1 66 66 PRO C C 13 176.500 0.300 . 1 . . . . 66 PRO C . 10302 1 758 . 1 1 66 66 PRO CA C 13 63.144 0.300 . 1 . . . . 66 PRO CA . 10302 1 759 . 1 1 66 66 PRO CB C 13 31.916 0.300 . 1 . . . . 66 PRO CB . 10302 1 760 . 1 1 66 66 PRO CD C 13 50.482 0.300 . 1 . . . . 66 PRO CD . 10302 1 761 . 1 1 66 66 PRO CG C 13 27.391 0.300 . 1 . . . . 66 PRO CG . 10302 1 762 . 1 1 67 67 HIS H H 1 8.343 0.030 . 1 . . . . 67 HIS H . 10302 1 763 . 1 1 67 67 HIS HA H 1 4.653 0.030 . 1 . . . . 67 HIS HA . 10302 1 764 . 1 1 67 67 HIS HB2 H 1 3.156 0.030 . 1 . . . . 67 HIS HB2 . 10302 1 765 . 1 1 67 67 HIS HB3 H 1 3.156 0.030 . 1 . . . . 67 HIS HB3 . 10302 1 766 . 1 1 67 67 HIS HD2 H 1 7.096 0.030 . 1 . . . . 67 HIS HD2 . 10302 1 767 . 1 1 67 67 HIS C C 13 175.189 0.300 . 1 . . . . 67 HIS C . 10302 1 768 . 1 1 67 67 HIS CA C 13 56.075 0.300 . 1 . . . . 67 HIS CA . 10302 1 769 . 1 1 67 67 HIS CB C 13 30.551 0.300 . 1 . . . . 67 HIS CB . 10302 1 770 . 1 1 67 67 HIS CD2 C 13 120.109 0.300 . 1 . . . . 67 HIS CD2 . 10302 1 771 . 1 1 67 67 HIS N N 15 119.644 0.300 . 1 . . . . 67 HIS N . 10302 1 772 . 1 1 68 68 SER H H 1 8.300 0.030 . 1 . . . . 68 SER H . 10302 1 773 . 1 1 68 68 SER HA H 1 4.525 0.030 . 1 . . . . 68 SER HA . 10302 1 774 . 1 1 68 68 SER HB2 H 1 3.836 0.030 . 2 . . . . 68 SER HB2 . 10302 1 775 . 1 1 68 68 SER C C 13 174.413 0.300 . 1 . . . . 68 SER C . 10302 1 776 . 1 1 68 68 SER CA C 13 58.138 0.300 . 1 . . . . 68 SER CA . 10302 1 777 . 1 1 68 68 SER CB C 13 64.066 0.300 . 1 . . . . 68 SER CB . 10302 1 778 . 1 1 68 68 SER N N 15 117.919 0.300 . 1 . . . . 68 SER N . 10302 1 779 . 1 1 69 69 GLY H H 1 8.298 0.030 . 1 . . . . 69 GLY H . 10302 1 780 . 1 1 69 69 GLY HA2 H 1 4.132 0.030 . 1 . . . . 69 GLY HA2 . 10302 1 781 . 1 1 69 69 GLY HA3 H 1 4.132 0.030 . 1 . . . . 69 GLY HA3 . 10302 1 782 . 1 1 69 69 GLY C C 13 171.717 0.300 . 1 . . . . 69 GLY C . 10302 1 783 . 1 1 69 69 GLY CA C 13 44.615 0.300 . 1 . . . . 69 GLY CA . 10302 1 784 . 1 1 69 69 GLY N N 15 110.990 0.300 . 1 . . . . 69 GLY N . 10302 1 785 . 1 1 70 70 PRO HA H 1 4.489 0.030 . 1 . . . . 70 PRO HA . 10302 1 786 . 1 1 70 70 PRO HB2 H 1 2.301 0.030 . 2 . . . . 70 PRO HB2 . 10302 1 787 . 1 1 70 70 PRO HB3 H 1 1.986 0.030 . 2 . . . . 70 PRO HB3 . 10302 1 788 . 1 1 70 70 PRO HD2 H 1 3.636 0.030 . 1 . . . . 70 PRO HD2 . 10302 1 789 . 1 1 70 70 PRO HD3 H 1 3.636 0.030 . 1 . . . . 70 PRO HD3 . 10302 1 790 . 1 1 70 70 PRO HG2 H 1 2.028 0.030 . 1 . . . . 70 PRO HG2 . 10302 1 791 . 1 1 70 70 PRO HG3 H 1 2.028 0.030 . 1 . . . . 70 PRO HG3 . 10302 1 792 . 1 1 70 70 PRO C C 13 177.472 0.300 . 1 . . . . 70 PRO C . 10302 1 793 . 1 1 70 70 PRO CA C 13 63.263 0.300 . 1 . . . . 70 PRO CA . 10302 1 794 . 1 1 70 70 PRO CB C 13 32.252 0.300 . 1 . . . . 70 PRO CB . 10302 1 795 . 1 1 70 70 PRO CD C 13 49.795 0.300 . 1 . . . . 70 PRO CD . 10302 1 796 . 1 1 70 70 PRO CG C 13 27.213 0.300 . 1 . . . . 70 PRO CG . 10302 1 797 . 1 1 71 71 SER H H 1 8.558 0.030 . 1 . . . . 71 SER H . 10302 1 798 . 1 1 71 71 SER HA H 1 4.501 0.030 . 1 . . . . 71 SER HA . 10302 1 799 . 1 1 71 71 SER HB2 H 1 3.895 0.030 . 2 . . . . 71 SER HB2 . 10302 1 800 . 1 1 71 71 SER C C 13 174.679 0.300 . 1 . . . . 71 SER C . 10302 1 801 . 1 1 71 71 SER CA C 13 58.349 0.300 . 1 . . . . 71 SER CA . 10302 1 802 . 1 1 71 71 SER CB C 13 63.983 0.300 . 1 . . . . 71 SER CB . 10302 1 803 . 1 1 71 71 SER N N 15 116.602 0.300 . 1 . . . . 71 SER N . 10302 1 804 . 1 1 72 72 SER H H 1 8.345 0.030 . 1 . . . . 72 SER H . 10302 1 805 . 1 1 72 72 SER C C 13 173.975 0.300 . 1 . . . . 72 SER C . 10302 1 806 . 1 1 72 72 SER CA C 13 58.402 0.300 . 1 . . . . 72 SER CA . 10302 1 807 . 1 1 72 72 SER CB C 13 63.659 0.300 . 1 . . . . 72 SER CB . 10302 1 808 . 1 1 72 72 SER N N 15 117.883 0.300 . 1 . . . . 72 SER N . 10302 1 stop_ save_