data_11213 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11213 _Entry.Title ; Solution structure of the SH3 domain of Hypothetical protein SH3YL1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-22 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-07-21 _Entry.Original_release_date 2011-07-21 _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 X. Qin . . . 11213 2 T. Nagasima . . . 11213 3 F. Hayashi . . . 11213 4 S. Yokoyama . . . 11213 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)' . 11213 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11213 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 325 11213 '15N chemical shifts' 80 11213 '1H chemical shifts' 500 11213 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 . . 2011-07-21 2010-07-22 original author . 11213 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2D8H 'BMRB Entry Tracking System' 11213 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11213 _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 the SH3 domain of Hypothetical protein SH3YL1' _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 X. Qin . . . 11213 1 2 T. Nagasima . . . 11213 1 3 F. Hayashi . . . 11213 1 4 S. Yokoyama . . . 11213 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11213 _Assembly.ID 1 _Assembly.Name 'SH3YL1 protein' _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 of Hypothetical protein SH3YL1' 1 $entity_1 A . yes native no no . . . 11213 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 2d8h . . . . . . 11213 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11213 _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 ; GSSGSSGHERVGNLNQPIEV TALYSFEGQQPGDLNFQAGD RITVISKTDSHFDWWEGKLR GQTGIFPANYVTMNSGPSSG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 80 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 2D8H . "Solution Structure Of The Sh3 Domain Of Hypothetical Protein Sh3yl1" . . . . . 100.00 80 100.00 100.00 1.81e-50 . . . . 11213 1 2 no DBJ BAB15493 . "unnamed protein product [Homo sapiens]" . . . . . 77.50 323 100.00 100.00 9.18e-37 . . . . 11213 1 3 no DBJ BAF85001 . "unnamed protein product [Homo sapiens]" . . . . . 77.50 227 100.00 100.00 1.20e-37 . . . . 11213 1 4 no DBJ BAJ17777 . "SH3 domain containing, Ysc84-like 1 [synthetic construct]" . . . . . 77.50 323 100.00 100.00 9.18e-37 . . . . 11213 1 5 no DBJ BAK63510 . "SH3 domain containing, Ysc84-like protein 1 [Pan troglodytes]" . . . . . 77.50 323 100.00 100.00 8.18e-37 . . . . 11213 1 6 no EMBL CAB43679 . "hypothetical protein [Homo sapiens]" . . . . . 87.50 246 98.57 98.57 2.95e-42 . . . . 11213 1 7 no EMBL CAG33642 . "SH3YL1 [Homo sapiens]" . . . . . 77.50 323 100.00 100.00 9.18e-37 . . . . 11213 1 8 no EMBL CAH90143 . "hypothetical protein [Pongo abelii]" . . . . . 87.50 342 98.57 98.57 1.90e-41 . . . . 11213 1 9 no EMBL CAH91158 . "hypothetical protein [Pongo abelii]" . . . . . 87.50 342 98.57 98.57 1.90e-41 . . . . 11213 1 10 no GB AAH08374 . "SH3YL1 protein [Homo sapiens]" . . . . . 87.50 342 98.57 98.57 2.37e-41 . . . . 11213 1 11 no GB AAH08375 . "SH3YL1 protein [Homo sapiens]" . . . . . 77.50 323 100.00 100.00 9.18e-37 . . . . 11213 1 12 no GB AAY14957 . "unknown [Homo sapiens]" . . . . . 87.50 342 98.57 98.57 2.37e-41 . . . . 11213 1 13 no GB ACE86416 . "SH3 domain containing, Ysc84-like 1 (S. cerevisiae) protein [synthetic construct]" . . . . . 87.50 342 98.57 98.57 2.37e-41 . . . . 11213 1 14 no GB ACE86417 . "SH3 domain containing, Ysc84-like 1 (S. cerevisiae) protein [synthetic construct]" . . . . . 77.50 323 100.00 100.00 9.18e-37 . . . . 11213 1 15 no REF NP_001125036 . "SH3 domain-containing YSC84-like protein 1 [Pongo abelii]" . . . . . 87.50 342 98.57 98.57 1.90e-41 . . . . 11213 1 16 no REF NP_001153069 . "SH3 domain-containing YSC84-like protein 1 isoform 2 [Homo sapiens]" . . . . . 77.50 323 100.00 100.00 9.18e-37 . . . . 11213 1 17 no REF NP_001238793 . "SH3 domain-containing YSC84-like protein 1 [Pan troglodytes]" . . . . . 77.50 323 100.00 100.00 8.18e-37 . . . . 11213 1 18 no REF NP_001269611 . "SH3 domain-containing YSC84-like protein 1 isoform 3 [Homo sapiens]" . . . . . 77.50 227 100.00 100.00 1.33e-37 . . . . 11213 1 19 no REF NP_001269616 . "SH3 domain-containing YSC84-like protein 1 isoform 4 [Homo sapiens]" . . . . . 87.50 246 98.57 98.57 2.95e-42 . . . . 11213 1 20 no SP Q5RAQ2 . "RecName: Full=SH3 domain-containing YSC84-like protein 1" . . . . . 87.50 342 98.57 98.57 1.90e-41 . . . . 11213 1 21 no SP Q96HL8 . "RecName: Full=SH3 domain-containing YSC84-like protein 1" . . . . . 87.50 342 98.57 98.57 2.37e-41 . . . . 11213 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' . 11213 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 . 11213 1 2 . SER . 11213 1 3 . SER . 11213 1 4 . GLY . 11213 1 5 . SER . 11213 1 6 . SER . 11213 1 7 . GLY . 11213 1 8 . HIS . 11213 1 9 . GLU . 11213 1 10 . ARG . 11213 1 11 . VAL . 11213 1 12 . GLY . 11213 1 13 . ASN . 11213 1 14 . LEU . 11213 1 15 . ASN . 11213 1 16 . GLN . 11213 1 17 . PRO . 11213 1 18 . ILE . 11213 1 19 . GLU . 11213 1 20 . VAL . 11213 1 21 . THR . 11213 1 22 . ALA . 11213 1 23 . LEU . 11213 1 24 . TYR . 11213 1 25 . SER . 11213 1 26 . PHE . 11213 1 27 . GLU . 11213 1 28 . GLY . 11213 1 29 . GLN . 11213 1 30 . GLN . 11213 1 31 . PRO . 11213 1 32 . GLY . 11213 1 33 . ASP . 11213 1 34 . LEU . 11213 1 35 . ASN . 11213 1 36 . PHE . 11213 1 37 . GLN . 11213 1 38 . ALA . 11213 1 39 . GLY . 11213 1 40 . ASP . 11213 1 41 . ARG . 11213 1 42 . ILE . 11213 1 43 . THR . 11213 1 44 . VAL . 11213 1 45 . ILE . 11213 1 46 . SER . 11213 1 47 . LYS . 11213 1 48 . THR . 11213 1 49 . ASP . 11213 1 50 . SER . 11213 1 51 . HIS . 11213 1 52 . PHE . 11213 1 53 . ASP . 11213 1 54 . TRP . 11213 1 55 . TRP . 11213 1 56 . GLU . 11213 1 57 . GLY . 11213 1 58 . LYS . 11213 1 59 . LEU . 11213 1 60 . ARG . 11213 1 61 . GLY . 11213 1 62 . GLN . 11213 1 63 . THR . 11213 1 64 . GLY . 11213 1 65 . ILE . 11213 1 66 . PHE . 11213 1 67 . PRO . 11213 1 68 . ALA . 11213 1 69 . ASN . 11213 1 70 . TYR . 11213 1 71 . VAL . 11213 1 72 . THR . 11213 1 73 . MET . 11213 1 74 . ASN . 11213 1 75 . SER . 11213 1 76 . GLY . 11213 1 77 . PRO . 11213 1 78 . SER . 11213 1 79 . SER . 11213 1 80 . GLY . 11213 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 11213 1 . SER 2 2 11213 1 . SER 3 3 11213 1 . GLY 4 4 11213 1 . SER 5 5 11213 1 . SER 6 6 11213 1 . GLY 7 7 11213 1 . HIS 8 8 11213 1 . GLU 9 9 11213 1 . ARG 10 10 11213 1 . VAL 11 11 11213 1 . GLY 12 12 11213 1 . ASN 13 13 11213 1 . LEU 14 14 11213 1 . ASN 15 15 11213 1 . GLN 16 16 11213 1 . PRO 17 17 11213 1 . ILE 18 18 11213 1 . GLU 19 19 11213 1 . VAL 20 20 11213 1 . THR 21 21 11213 1 . ALA 22 22 11213 1 . LEU 23 23 11213 1 . TYR 24 24 11213 1 . SER 25 25 11213 1 . PHE 26 26 11213 1 . GLU 27 27 11213 1 . GLY 28 28 11213 1 . GLN 29 29 11213 1 . GLN 30 30 11213 1 . PRO 31 31 11213 1 . GLY 32 32 11213 1 . ASP 33 33 11213 1 . LEU 34 34 11213 1 . ASN 35 35 11213 1 . PHE 36 36 11213 1 . GLN 37 37 11213 1 . ALA 38 38 11213 1 . GLY 39 39 11213 1 . ASP 40 40 11213 1 . ARG 41 41 11213 1 . ILE 42 42 11213 1 . THR 43 43 11213 1 . VAL 44 44 11213 1 . ILE 45 45 11213 1 . SER 46 46 11213 1 . LYS 47 47 11213 1 . THR 48 48 11213 1 . ASP 49 49 11213 1 . SER 50 50 11213 1 . HIS 51 51 11213 1 . PHE 52 52 11213 1 . ASP 53 53 11213 1 . TRP 54 54 11213 1 . TRP 55 55 11213 1 . GLU 56 56 11213 1 . GLY 57 57 11213 1 . LYS 58 58 11213 1 . LEU 59 59 11213 1 . ARG 60 60 11213 1 . GLY 61 61 11213 1 . GLN 62 62 11213 1 . THR 63 63 11213 1 . GLY 64 64 11213 1 . ILE 65 65 11213 1 . PHE 66 66 11213 1 . PRO 67 67 11213 1 . ALA 68 68 11213 1 . ASN 69 69 11213 1 . TYR 70 70 11213 1 . VAL 71 71 11213 1 . THR 72 72 11213 1 . MET 73 73 11213 1 . ASN 74 74 11213 1 . SER 75 75 11213 1 . GLY 76 76 11213 1 . PRO 77 77 11213 1 . SER 78 78 11213 1 . SER 79 79 11213 1 . GLY 80 80 11213 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 11213 _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 . . . . . . . . . . . . . . . . . . . . . 11213 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 11213 _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 . . P050425-18 . . . . . . 11213 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11213 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.19mM 13C,15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3 ; _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 1.19 . . mM . . . . 11213 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11213 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11213 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11213 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11213 1 6 H2O . . . . . . solvent 90 . . % . . . . 11213 1 7 D2O . . . . . . solvent 10 . . % . . . . 11213 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 11213 _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 11213 1 pH 7.0 0.05 pH 11213 1 pressure 1 0.001 atm 11213 1 temperature 298 0.1 K 11213 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11213 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 11213 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11213 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11213 _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.' . . 11213 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11213 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11213 _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.' . . 11213 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11213 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11213 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9296 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11213 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11213 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11213 _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.' . . 11213 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11213 5 'structure solution' 11213 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 11213 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 11213 _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 Varian INOVA . 800 . . . 11213 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 11213 _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 . . . . . . . . . . . . . . . . 11213 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11213 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 11213 _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 . . . . . . . . . 11213 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11213 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11213 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 11213 _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 11213 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11213 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 $VNMR . . 11213 1 2 $NMRPipe . . 11213 1 3 $NMRView . . 11213 1 4 $Kujira . . 11213 1 5 $CYANA . . 11213 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 4.514 0.030 . 1 . . . . 6 SER HA . 11213 1 2 . 1 1 6 6 SER HB2 H 1 3.884 0.030 . 1 . . . . 6 SER HB2 . 11213 1 3 . 1 1 6 6 SER HB3 H 1 3.884 0.030 . 1 . . . . 6 SER HB3 . 11213 1 4 . 1 1 6 6 SER C C 13 175.047 0.300 . 1 . . . . 6 SER C . 11213 1 5 . 1 1 6 6 SER CA C 13 58.665 0.300 . 1 . . . . 6 SER CA . 11213 1 6 . 1 1 6 6 SER CB C 13 63.917 0.300 . 1 . . . . 6 SER CB . 11213 1 7 . 1 1 7 7 GLY H H 1 8.476 0.030 . 1 . . . . 7 GLY H . 11213 1 8 . 1 1 7 7 GLY HA2 H 1 3.970 0.030 . 1 . . . . 7 GLY HA2 . 11213 1 9 . 1 1 7 7 GLY HA3 H 1 3.970 0.030 . 1 . . . . 7 GLY HA3 . 11213 1 10 . 1 1 7 7 GLY C C 13 174.131 0.300 . 1 . . . . 7 GLY C . 11213 1 11 . 1 1 7 7 GLY CA C 13 45.517 0.300 . 1 . . . . 7 GLY CA . 11213 1 12 . 1 1 7 7 GLY N N 15 110.692 0.300 . 1 . . . . 7 GLY N . 11213 1 13 . 1 1 8 8 HIS H H 1 6.997 0.030 . 1 . . . . 8 HIS H . 11213 1 14 . 1 1 8 8 HIS HA H 1 4.624 0.030 . 1 . . . . 8 HIS HA . 11213 1 15 . 1 1 8 8 HIS HB2 H 1 3.139 0.030 . 2 . . . . 8 HIS HB2 . 11213 1 16 . 1 1 8 8 HIS HB3 H 1 3.038 0.030 . 2 . . . . 8 HIS HB3 . 11213 1 17 . 1 1 8 8 HIS HD2 H 1 7.002 0.030 . 1 . . . . 8 HIS HD2 . 11213 1 18 . 1 1 8 8 HIS HE1 H 1 7.897 0.030 . 1 . . . . 8 HIS HE1 . 11213 1 19 . 1 1 8 8 HIS C C 13 175.434 0.300 . 1 . . . . 8 HIS C . 11213 1 20 . 1 1 8 8 HIS CA C 13 56.171 0.300 . 1 . . . . 8 HIS CA . 11213 1 21 . 1 1 8 8 HIS CB C 13 30.600 0.300 . 1 . . . . 8 HIS CB . 11213 1 22 . 1 1 8 8 HIS CD2 C 13 119.884 0.300 . 1 . . . . 8 HIS CD2 . 11213 1 23 . 1 1 8 8 HIS CE1 C 13 137.839 0.300 . 1 . . . . 8 HIS CE1 . 11213 1 24 . 1 1 9 9 GLU H H 1 8.483 0.030 . 1 . . . . 9 GLU H . 11213 1 25 . 1 1 9 9 GLU HA H 1 4.242 0.030 . 1 . . . . 9 GLU HA . 11213 1 26 . 1 1 9 9 GLU HB2 H 1 1.996 0.030 . 2 . . . . 9 GLU HB2 . 11213 1 27 . 1 1 9 9 GLU HB3 H 1 1.908 0.030 . 2 . . . . 9 GLU HB3 . 11213 1 28 . 1 1 9 9 GLU HG2 H 1 2.205 0.030 . 1 . . . . 9 GLU HG2 . 11213 1 29 . 1 1 9 9 GLU HG3 H 1 2.205 0.030 . 1 . . . . 9 GLU HG3 . 11213 1 30 . 1 1 9 9 GLU C C 13 176.332 0.300 . 1 . . . . 9 GLU C . 11213 1 31 . 1 1 9 9 GLU CA C 13 56.734 0.300 . 1 . . . . 9 GLU CA . 11213 1 32 . 1 1 9 9 GLU CB C 13 30.055 0.300 . 1 . . . . 9 GLU CB . 11213 1 33 . 1 1 9 9 GLU CG C 13 36.154 0.300 . 1 . . . . 9 GLU CG . 11213 1 34 . 1 1 9 9 GLU N N 15 121.889 0.300 . 1 . . . . 9 GLU N . 11213 1 35 . 1 1 10 10 ARG H H 1 8.412 0.030 . 1 . . . . 10 ARG H . 11213 1 36 . 1 1 10 10 ARG HA H 1 4.353 0.030 . 1 . . . . 10 ARG HA . 11213 1 37 . 1 1 10 10 ARG HB2 H 1 1.823 0.030 . 2 . . . . 10 ARG HB2 . 11213 1 38 . 1 1 10 10 ARG HB3 H 1 1.755 0.030 . 2 . . . . 10 ARG HB3 . 11213 1 39 . 1 1 10 10 ARG HD2 H 1 3.184 0.030 . 1 . . . . 10 ARG HD2 . 11213 1 40 . 1 1 10 10 ARG HD3 H 1 3.184 0.030 . 1 . . . . 10 ARG HD3 . 11213 1 41 . 1 1 10 10 ARG HG2 H 1 1.567 0.030 . 2 . . . . 10 ARG HG2 . 11213 1 42 . 1 1 10 10 ARG HG3 H 1 1.632 0.030 . 2 . . . . 10 ARG HG3 . 11213 1 43 . 1 1 10 10 ARG C C 13 176.189 0.300 . 1 . . . . 10 ARG C . 11213 1 44 . 1 1 10 10 ARG CA C 13 56.004 0.300 . 1 . . . . 10 ARG CA . 11213 1 45 . 1 1 10 10 ARG CB C 13 30.700 0.300 . 1 . . . . 10 ARG CB . 11213 1 46 . 1 1 10 10 ARG CD C 13 43.259 0.300 . 1 . . . . 10 ARG CD . 11213 1 47 . 1 1 10 10 ARG CG C 13 27.154 0.300 . 1 . . . . 10 ARG CG . 11213 1 48 . 1 1 10 10 ARG N N 15 122.312 0.300 . 1 . . . . 10 ARG N . 11213 1 49 . 1 1 11 11 VAL H H 1 8.176 0.030 . 1 . . . . 11 VAL H . 11213 1 50 . 1 1 11 11 VAL HA H 1 4.132 0.030 . 1 . . . . 11 VAL HA . 11213 1 51 . 1 1 11 11 VAL HB H 1 2.068 0.030 . 1 . . . . 11 VAL HB . 11213 1 52 . 1 1 11 11 VAL HG11 H 1 0.921 0.030 . 1 . . . . 11 VAL HG1 . 11213 1 53 . 1 1 11 11 VAL HG12 H 1 0.921 0.030 . 1 . . . . 11 VAL HG1 . 11213 1 54 . 1 1 11 11 VAL HG13 H 1 0.921 0.030 . 1 . . . . 11 VAL HG1 . 11213 1 55 . 1 1 11 11 VAL HG21 H 1 0.921 0.030 . 1 . . . . 11 VAL HG2 . 11213 1 56 . 1 1 11 11 VAL HG22 H 1 0.921 0.030 . 1 . . . . 11 VAL HG2 . 11213 1 57 . 1 1 11 11 VAL HG23 H 1 0.921 0.030 . 1 . . . . 11 VAL HG2 . 11213 1 58 . 1 1 11 11 VAL C C 13 176.510 0.300 . 1 . . . . 11 VAL C . 11213 1 59 . 1 1 11 11 VAL CA C 13 62.238 0.300 . 1 . . . . 11 VAL CA . 11213 1 60 . 1 1 11 11 VAL CB C 13 32.851 0.300 . 1 . . . . 11 VAL CB . 11213 1 61 . 1 1 11 11 VAL CG1 C 13 21.175 0.300 . 2 . . . . 11 VAL CG1 . 11213 1 62 . 1 1 11 11 VAL CG2 C 13 20.375 0.300 . 2 . . . . 11 VAL CG2 . 11213 1 63 . 1 1 11 11 VAL N N 15 121.316 0.300 . 1 . . . . 11 VAL N . 11213 1 64 . 1 1 12 12 GLY H H 1 8.458 0.030 . 1 . . . . 12 GLY H . 11213 1 65 . 1 1 12 12 GLY HA2 H 1 3.951 0.030 . 1 . . . . 12 GLY HA2 . 11213 1 66 . 1 1 12 12 GLY HA3 H 1 3.951 0.030 . 1 . . . . 12 GLY HA3 . 11213 1 67 . 1 1 12 12 GLY C C 13 173.750 0.300 . 1 . . . . 12 GLY C . 11213 1 68 . 1 1 12 12 GLY CA C 13 45.105 0.300 . 1 . . . . 12 GLY CA . 11213 1 69 . 1 1 12 12 GLY N N 15 112.275 0.300 . 1 . . . . 12 GLY N . 11213 1 70 . 1 1 13 13 ASN H H 1 8.304 0.030 . 1 . . . . 13 ASN H . 11213 1 71 . 1 1 13 13 ASN HA H 1 4.682 0.030 . 1 . . . . 13 ASN HA . 11213 1 72 . 1 1 13 13 ASN HB2 H 1 2.745 0.030 . 2 . . . . 13 ASN HB2 . 11213 1 73 . 1 1 13 13 ASN HB3 H 1 2.801 0.030 . 2 . . . . 13 ASN HB3 . 11213 1 74 . 1 1 13 13 ASN HD21 H 1 7.592 0.030 . 2 . . . . 13 ASN HD21 . 11213 1 75 . 1 1 13 13 ASN HD22 H 1 6.915 0.030 . 2 . . . . 13 ASN HD22 . 11213 1 76 . 1 1 13 13 ASN C C 13 175.381 0.300 . 1 . . . . 13 ASN C . 11213 1 77 . 1 1 13 13 ASN CA C 13 53.297 0.300 . 1 . . . . 13 ASN CA . 11213 1 78 . 1 1 13 13 ASN CB C 13 38.845 0.300 . 1 . . . . 13 ASN CB . 11213 1 79 . 1 1 13 13 ASN N N 15 118.693 0.300 . 1 . . . . 13 ASN N . 11213 1 80 . 1 1 13 13 ASN ND2 N 15 113.086 0.300 . 1 . . . . 13 ASN ND2 . 11213 1 81 . 1 1 14 14 LEU H H 1 8.237 0.030 . 1 . . . . 14 LEU H . 11213 1 82 . 1 1 14 14 LEU HA H 1 4.306 0.030 . 1 . . . . 14 LEU HA . 11213 1 83 . 1 1 14 14 LEU HB2 H 1 1.582 0.030 . 2 . . . . 14 LEU HB2 . 11213 1 84 . 1 1 14 14 LEU HB3 H 1 1.524 0.030 . 2 . . . . 14 LEU HB3 . 11213 1 85 . 1 1 14 14 LEU HD11 H 1 0.845 0.030 . 1 . . . . 14 LEU HD1 . 11213 1 86 . 1 1 14 14 LEU HD12 H 1 0.845 0.030 . 1 . . . . 14 LEU HD1 . 11213 1 87 . 1 1 14 14 LEU HD13 H 1 0.845 0.030 . 1 . . . . 14 LEU HD1 . 11213 1 88 . 1 1 14 14 LEU HD21 H 1 0.806 0.030 . 1 . . . . 14 LEU HD2 . 11213 1 89 . 1 1 14 14 LEU HD22 H 1 0.806 0.030 . 1 . . . . 14 LEU HD2 . 11213 1 90 . 1 1 14 14 LEU HD23 H 1 0.806 0.030 . 1 . . . . 14 LEU HD2 . 11213 1 91 . 1 1 14 14 LEU HG H 1 1.578 0.030 . 1 . . . . 14 LEU HG . 11213 1 92 . 1 1 14 14 LEU C C 13 177.204 0.300 . 1 . . . . 14 LEU C . 11213 1 93 . 1 1 14 14 LEU CA C 13 55.117 0.300 . 1 . . . . 14 LEU CA . 11213 1 94 . 1 1 14 14 LEU CB C 13 42.271 0.300 . 1 . . . . 14 LEU CB . 11213 1 95 . 1 1 14 14 LEU CD1 C 13 25.038 0.300 . 2 . . . . 14 LEU CD1 . 11213 1 96 . 1 1 14 14 LEU CD2 C 13 23.335 0.300 . 2 . . . . 14 LEU CD2 . 11213 1 97 . 1 1 14 14 LEU CG C 13 26.932 0.300 . 1 . . . . 14 LEU CG . 11213 1 98 . 1 1 14 14 LEU N N 15 122.151 0.300 . 1 . . . . 14 LEU N . 11213 1 99 . 1 1 15 15 ASN H H 1 8.507 0.030 . 1 . . . . 15 ASN H . 11213 1 100 . 1 1 15 15 ASN HA H 1 4.601 0.030 . 1 . . . . 15 ASN HA . 11213 1 101 . 1 1 15 15 ASN HB2 H 1 2.743 0.030 . 1 . . . . 15 ASN HB2 . 11213 1 102 . 1 1 15 15 ASN HB3 H 1 2.743 0.030 . 1 . . . . 15 ASN HB3 . 11213 1 103 . 1 1 15 15 ASN HD21 H 1 6.894 0.030 . 2 . . . . 15 ASN HD21 . 11213 1 104 . 1 1 15 15 ASN HD22 H 1 7.551 0.030 . 2 . . . . 15 ASN HD22 . 11213 1 105 . 1 1 15 15 ASN C C 13 174.757 0.300 . 1 . . . . 15 ASN C . 11213 1 106 . 1 1 15 15 ASN CA C 13 53.735 0.300 . 1 . . . . 15 ASN CA . 11213 1 107 . 1 1 15 15 ASN CB C 13 38.932 0.300 . 1 . . . . 15 ASN CB . 11213 1 108 . 1 1 15 15 ASN N N 15 119.575 0.300 . 1 . . . . 15 ASN N . 11213 1 109 . 1 1 15 15 ASN ND2 N 15 112.349 0.300 . 1 . . . . 15 ASN ND2 . 11213 1 110 . 1 1 16 16 GLN H H 1 7.965 0.030 . 1 . . . . 16 GLN H . 11213 1 111 . 1 1 16 16 GLN HA H 1 4.645 0.030 . 1 . . . . 16 GLN HA . 11213 1 112 . 1 1 16 16 GLN HB2 H 1 2.048 0.030 . 2 . . . . 16 GLN HB2 . 11213 1 113 . 1 1 16 16 GLN HB3 H 1 1.904 0.030 . 2 . . . . 16 GLN HB3 . 11213 1 114 . 1 1 16 16 GLN HE21 H 1 6.866 0.030 . 2 . . . . 16 GLN HE21 . 11213 1 115 . 1 1 16 16 GLN HE22 H 1 7.528 0.030 . 2 . . . . 16 GLN HE22 . 11213 1 116 . 1 1 16 16 GLN HG2 H 1 2.334 0.030 . 1 . . . . 16 GLN HG2 . 11213 1 117 . 1 1 16 16 GLN HG3 H 1 2.334 0.030 . 1 . . . . 16 GLN HG3 . 11213 1 118 . 1 1 16 16 GLN C C 13 173.138 0.300 . 1 . . . . 16 GLN C . 11213 1 119 . 1 1 16 16 GLN CA C 13 53.284 0.300 . 1 . . . . 16 GLN CA . 11213 1 120 . 1 1 16 16 GLN CB C 13 29.308 0.300 . 1 . . . . 16 GLN CB . 11213 1 121 . 1 1 16 16 GLN CG C 13 33.383 0.300 . 1 . . . . 16 GLN CG . 11213 1 122 . 1 1 16 16 GLN N N 15 120.153 0.300 . 1 . . . . 16 GLN N . 11213 1 123 . 1 1 16 16 GLN NE2 N 15 112.380 0.300 . 1 . . . . 16 GLN NE2 . 11213 1 124 . 1 1 17 17 PRO HA H 1 4.525 0.030 . 1 . . . . 17 PRO HA . 11213 1 125 . 1 1 17 17 PRO HB2 H 1 2.232 0.030 . 2 . . . . 17 PRO HB2 . 11213 1 126 . 1 1 17 17 PRO HB3 H 1 1.807 0.030 . 2 . . . . 17 PRO HB3 . 11213 1 127 . 1 1 17 17 PRO HD2 H 1 3.739 0.030 . 2 . . . . 17 PRO HD2 . 11213 1 128 . 1 1 17 17 PRO HD3 H 1 3.615 0.030 . 2 . . . . 17 PRO HD3 . 11213 1 129 . 1 1 17 17 PRO HG2 H 1 1.997 0.030 . 2 . . . . 17 PRO HG2 . 11213 1 130 . 1 1 17 17 PRO HG3 H 1 1.956 0.030 . 2 . . . . 17 PRO HG3 . 11213 1 131 . 1 1 17 17 PRO C C 13 176.399 0.300 . 1 . . . . 17 PRO C . 11213 1 132 . 1 1 17 17 PRO CA C 13 62.995 0.300 . 1 . . . . 17 PRO CA . 11213 1 133 . 1 1 17 17 PRO CB C 13 32.547 0.300 . 1 . . . . 17 PRO CB . 11213 1 134 . 1 1 17 17 PRO CD C 13 50.663 0.300 . 1 . . . . 17 PRO CD . 11213 1 135 . 1 1 17 17 PRO CG C 13 27.278 0.300 . 1 . . . . 17 PRO CG . 11213 1 136 . 1 1 18 18 ILE H H 1 8.225 0.030 . 1 . . . . 18 ILE H . 11213 1 137 . 1 1 18 18 ILE HA H 1 4.383 0.030 . 1 . . . . 18 ILE HA . 11213 1 138 . 1 1 18 18 ILE HB H 1 1.787 0.030 . 1 . . . . 18 ILE HB . 11213 1 139 . 1 1 18 18 ILE HD11 H 1 0.753 0.030 . 1 . . . . 18 ILE HD1 . 11213 1 140 . 1 1 18 18 ILE HD12 H 1 0.753 0.030 . 1 . . . . 18 ILE HD1 . 11213 1 141 . 1 1 18 18 ILE HD13 H 1 0.753 0.030 . 1 . . . . 18 ILE HD1 . 11213 1 142 . 1 1 18 18 ILE HG12 H 1 1.483 0.030 . 2 . . . . 18 ILE HG12 . 11213 1 143 . 1 1 18 18 ILE HG13 H 1 1.075 0.030 . 2 . . . . 18 ILE HG13 . 11213 1 144 . 1 1 18 18 ILE HG21 H 1 0.848 0.030 . 1 . . . . 18 ILE HG2 . 11213 1 145 . 1 1 18 18 ILE HG22 H 1 0.848 0.030 . 1 . . . . 18 ILE HG2 . 11213 1 146 . 1 1 18 18 ILE HG23 H 1 0.848 0.030 . 1 . . . . 18 ILE HG2 . 11213 1 147 . 1 1 18 18 ILE C C 13 174.279 0.300 . 1 . . . . 18 ILE C . 11213 1 148 . 1 1 18 18 ILE CA C 13 60.236 0.300 . 1 . . . . 18 ILE CA . 11213 1 149 . 1 1 18 18 ILE CB C 13 40.474 0.300 . 1 . . . . 18 ILE CB . 11213 1 150 . 1 1 18 18 ILE CD1 C 13 13.680 0.300 . 1 . . . . 18 ILE CD1 . 11213 1 151 . 1 1 18 18 ILE CG1 C 13 26.900 0.300 . 1 . . . . 18 ILE CG1 . 11213 1 152 . 1 1 18 18 ILE CG2 C 13 17.624 0.300 . 1 . . . . 18 ILE CG2 . 11213 1 153 . 1 1 18 18 ILE N N 15 119.882 0.300 . 1 . . . . 18 ILE N . 11213 1 154 . 1 1 19 19 GLU H H 1 8.476 0.030 . 1 . . . . 19 GLU H . 11213 1 155 . 1 1 19 19 GLU HA H 1 5.335 0.030 . 1 . . . . 19 GLU HA . 11213 1 156 . 1 1 19 19 GLU HB2 H 1 1.892 0.030 . 2 . . . . 19 GLU HB2 . 11213 1 157 . 1 1 19 19 GLU HB3 H 1 1.833 0.030 . 2 . . . . 19 GLU HB3 . 11213 1 158 . 1 1 19 19 GLU HG2 H 1 2.143 0.030 . 2 . . . . 19 GLU HG2 . 11213 1 159 . 1 1 19 19 GLU HG3 H 1 2.079 0.030 . 2 . . . . 19 GLU HG3 . 11213 1 160 . 1 1 19 19 GLU C C 13 175.928 0.300 . 1 . . . . 19 GLU C . 11213 1 161 . 1 1 19 19 GLU CA C 13 54.822 0.300 . 1 . . . . 19 GLU CA . 11213 1 162 . 1 1 19 19 GLU CB C 13 32.566 0.300 . 1 . . . . 19 GLU CB . 11213 1 163 . 1 1 19 19 GLU CG C 13 37.151 0.300 . 1 . . . . 19 GLU CG . 11213 1 164 . 1 1 19 19 GLU N N 15 124.707 0.300 . 1 . . . . 19 GLU N . 11213 1 165 . 1 1 20 20 VAL H H 1 8.894 0.030 . 1 . . . . 20 VAL H . 11213 1 166 . 1 1 20 20 VAL HA H 1 4.952 0.030 . 1 . . . . 20 VAL HA . 11213 1 167 . 1 1 20 20 VAL HB H 1 2.134 0.030 . 1 . . . . 20 VAL HB . 11213 1 168 . 1 1 20 20 VAL HG11 H 1 1.019 0.030 . 1 . . . . 20 VAL HG1 . 11213 1 169 . 1 1 20 20 VAL HG12 H 1 1.019 0.030 . 1 . . . . 20 VAL HG1 . 11213 1 170 . 1 1 20 20 VAL HG13 H 1 1.019 0.030 . 1 . . . . 20 VAL HG1 . 11213 1 171 . 1 1 20 20 VAL HG21 H 1 0.676 0.030 . 1 . . . . 20 VAL HG2 . 11213 1 172 . 1 1 20 20 VAL HG22 H 1 0.676 0.030 . 1 . . . . 20 VAL HG2 . 11213 1 173 . 1 1 20 20 VAL HG23 H 1 0.676 0.030 . 1 . . . . 20 VAL HG2 . 11213 1 174 . 1 1 20 20 VAL C C 13 174.423 0.300 . 1 . . . . 20 VAL C . 11213 1 175 . 1 1 20 20 VAL CA C 13 58.496 0.300 . 1 . . . . 20 VAL CA . 11213 1 176 . 1 1 20 20 VAL CB C 13 35.054 0.300 . 1 . . . . 20 VAL CB . 11213 1 177 . 1 1 20 20 VAL CG1 C 13 22.586 0.300 . 2 . . . . 20 VAL CG1 . 11213 1 178 . 1 1 20 20 VAL CG2 C 13 19.196 0.300 . 2 . . . . 20 VAL CG2 . 11213 1 179 . 1 1 20 20 VAL N N 15 115.255 0.300 . 1 . . . . 20 VAL N . 11213 1 180 . 1 1 21 21 THR H H 1 8.497 0.030 . 1 . . . . 21 THR H . 11213 1 181 . 1 1 21 21 THR HA H 1 4.961 0.030 . 1 . . . . 21 THR HA . 11213 1 182 . 1 1 21 21 THR HB H 1 3.692 0.030 . 1 . . . . 21 THR HB . 11213 1 183 . 1 1 21 21 THR HG21 H 1 0.982 0.030 . 1 . . . . 21 THR HG2 . 11213 1 184 . 1 1 21 21 THR HG22 H 1 0.982 0.030 . 1 . . . . 21 THR HG2 . 11213 1 185 . 1 1 21 21 THR HG23 H 1 0.982 0.030 . 1 . . . . 21 THR HG2 . 11213 1 186 . 1 1 21 21 THR C C 13 174.492 0.300 . 1 . . . . 21 THR C . 11213 1 187 . 1 1 21 21 THR CA C 13 61.258 0.300 . 1 . . . . 21 THR CA . 11213 1 188 . 1 1 21 21 THR CB C 13 70.541 0.300 . 1 . . . . 21 THR CB . 11213 1 189 . 1 1 21 21 THR CG2 C 13 21.265 0.300 . 1 . . . . 21 THR CG2 . 11213 1 190 . 1 1 21 21 THR N N 15 116.368 0.300 . 1 . . . . 21 THR N . 11213 1 191 . 1 1 22 22 ALA H H 1 8.923 0.030 . 1 . . . . 22 ALA H . 11213 1 192 . 1 1 22 22 ALA HA H 1 4.289 0.030 . 1 . . . . 22 ALA HA . 11213 1 193 . 1 1 22 22 ALA HB1 H 1 1.377 0.030 . 1 . . . . 22 ALA HB . 11213 1 194 . 1 1 22 22 ALA HB2 H 1 1.377 0.030 . 1 . . . . 22 ALA HB . 11213 1 195 . 1 1 22 22 ALA HB3 H 1 1.377 0.030 . 1 . . . . 22 ALA HB . 11213 1 196 . 1 1 22 22 ALA C C 13 178.487 0.300 . 1 . . . . 22 ALA C . 11213 1 197 . 1 1 22 22 ALA CA C 13 52.589 0.300 . 1 . . . . 22 ALA CA . 11213 1 198 . 1 1 22 22 ALA CB C 13 20.299 0.300 . 1 . . . . 22 ALA CB . 11213 1 199 . 1 1 22 22 ALA N N 15 127.907 0.300 . 1 . . . . 22 ALA N . 11213 1 200 . 1 1 23 23 LEU H H 1 9.540 0.030 . 1 . . . . 23 LEU H . 11213 1 201 . 1 1 23 23 LEU HA H 1 3.946 0.030 . 1 . . . . 23 LEU HA . 11213 1 202 . 1 1 23 23 LEU HB2 H 1 0.911 0.030 . 2 . . . . 23 LEU HB2 . 11213 1 203 . 1 1 23 23 LEU HB3 H 1 0.520 0.030 . 2 . . . . 23 LEU HB3 . 11213 1 204 . 1 1 23 23 LEU HD11 H 1 0.612 0.030 . 1 . . . . 23 LEU HD1 . 11213 1 205 . 1 1 23 23 LEU HD12 H 1 0.612 0.030 . 1 . . . . 23 LEU HD1 . 11213 1 206 . 1 1 23 23 LEU HD13 H 1 0.612 0.030 . 1 . . . . 23 LEU HD1 . 11213 1 207 . 1 1 23 23 LEU HD21 H 1 0.631 0.030 . 1 . . . . 23 LEU HD2 . 11213 1 208 . 1 1 23 23 LEU HD22 H 1 0.631 0.030 . 1 . . . . 23 LEU HD2 . 11213 1 209 . 1 1 23 23 LEU HD23 H 1 0.631 0.030 . 1 . . . . 23 LEU HD2 . 11213 1 210 . 1 1 23 23 LEU HG H 1 1.125 0.030 . 1 . . . . 23 LEU HG . 11213 1 211 . 1 1 23 23 LEU C C 13 175.444 0.300 . 1 . . . . 23 LEU C . 11213 1 212 . 1 1 23 23 LEU CA C 13 55.716 0.300 . 1 . . . . 23 LEU CA . 11213 1 213 . 1 1 23 23 LEU CB C 13 43.466 0.300 . 1 . . . . 23 LEU CB . 11213 1 214 . 1 1 23 23 LEU CD1 C 13 25.229 0.300 . 2 . . . . 23 LEU CD1 . 11213 1 215 . 1 1 23 23 LEU CD2 C 13 22.700 0.300 . 2 . . . . 23 LEU CD2 . 11213 1 216 . 1 1 23 23 LEU CG C 13 26.695 0.300 . 1 . . . . 23 LEU CG . 11213 1 217 . 1 1 23 23 LEU N N 15 127.822 0.300 . 1 . . . . 23 LEU N . 11213 1 218 . 1 1 24 24 TYR H H 1 7.123 0.030 . 1 . . . . 24 TYR H . 11213 1 219 . 1 1 24 24 TYR HA H 1 4.916 0.030 . 1 . . . . 24 TYR HA . 11213 1 220 . 1 1 24 24 TYR HB2 H 1 3.279 0.030 . 2 . . . . 24 TYR HB2 . 11213 1 221 . 1 1 24 24 TYR HB3 H 1 2.377 0.030 . 2 . . . . 24 TYR HB3 . 11213 1 222 . 1 1 24 24 TYR HD1 H 1 6.689 0.030 . 1 . . . . 24 TYR HD1 . 11213 1 223 . 1 1 24 24 TYR HD2 H 1 6.689 0.030 . 1 . . . . 24 TYR HD2 . 11213 1 224 . 1 1 24 24 TYR HE1 H 1 6.646 0.030 . 1 . . . . 24 TYR HE1 . 11213 1 225 . 1 1 24 24 TYR HE2 H 1 6.646 0.030 . 1 . . . . 24 TYR HE2 . 11213 1 226 . 1 1 24 24 TYR C C 13 174.002 0.300 . 1 . . . . 24 TYR C . 11213 1 227 . 1 1 24 24 TYR CA C 13 53.735 0.300 . 1 . . . . 24 TYR CA . 11213 1 228 . 1 1 24 24 TYR CB C 13 42.108 0.300 . 1 . . . . 24 TYR CB . 11213 1 229 . 1 1 24 24 TYR CD1 C 13 133.202 0.300 . 1 . . . . 24 TYR CD1 . 11213 1 230 . 1 1 24 24 TYR CD2 C 13 133.202 0.300 . 1 . . . . 24 TYR CD2 . 11213 1 231 . 1 1 24 24 TYR CE1 C 13 117.559 0.300 . 1 . . . . 24 TYR CE1 . 11213 1 232 . 1 1 24 24 TYR CE2 C 13 117.559 0.300 . 1 . . . . 24 TYR CE2 . 11213 1 233 . 1 1 24 24 TYR N N 15 113.660 0.300 . 1 . . . . 24 TYR N . 11213 1 234 . 1 1 25 25 SER H H 1 8.668 0.030 . 1 . . . . 25 SER H . 11213 1 235 . 1 1 25 25 SER HA H 1 4.594 0.030 . 1 . . . . 25 SER HA . 11213 1 236 . 1 1 25 25 SER HB2 H 1 4.092 0.030 . 2 . . . . 25 SER HB2 . 11213 1 237 . 1 1 25 25 SER HB3 H 1 3.963 0.030 . 2 . . . . 25 SER HB3 . 11213 1 238 . 1 1 25 25 SER C C 13 172.786 0.300 . 1 . . . . 25 SER C . 11213 1 239 . 1 1 25 25 SER CA C 13 58.381 0.300 . 1 . . . . 25 SER CA . 11213 1 240 . 1 1 25 25 SER CB C 13 63.590 0.300 . 1 . . . . 25 SER CB . 11213 1 241 . 1 1 25 25 SER N N 15 114.721 0.300 . 1 . . . . 25 SER N . 11213 1 242 . 1 1 26 26 PHE H H 1 8.280 0.030 . 1 . . . . 26 PHE H . 11213 1 243 . 1 1 26 26 PHE HA H 1 4.706 0.030 . 1 . . . . 26 PHE HA . 11213 1 244 . 1 1 26 26 PHE HB2 H 1 2.314 0.030 . 2 . . . . 26 PHE HB2 . 11213 1 245 . 1 1 26 26 PHE HB3 H 1 1.078 0.030 . 2 . . . . 26 PHE HB3 . 11213 1 246 . 1 1 26 26 PHE HD1 H 1 7.023 0.030 . 1 . . . . 26 PHE HD1 . 11213 1 247 . 1 1 26 26 PHE HD2 H 1 7.023 0.030 . 1 . . . . 26 PHE HD2 . 11213 1 248 . 1 1 26 26 PHE HE1 H 1 7.371 0.030 . 1 . . . . 26 PHE HE1 . 11213 1 249 . 1 1 26 26 PHE HE2 H 1 7.371 0.030 . 1 . . . . 26 PHE HE2 . 11213 1 250 . 1 1 26 26 PHE HZ H 1 7.467 0.030 . 1 . . . . 26 PHE HZ . 11213 1 251 . 1 1 26 26 PHE C C 13 173.230 0.300 . 1 . . . . 26 PHE C . 11213 1 252 . 1 1 26 26 PHE CA C 13 56.861 0.300 . 1 . . . . 26 PHE CA . 11213 1 253 . 1 1 26 26 PHE CB C 13 42.140 0.300 . 1 . . . . 26 PHE CB . 11213 1 254 . 1 1 26 26 PHE CD1 C 13 132.305 0.300 . 1 . . . . 26 PHE CD1 . 11213 1 255 . 1 1 26 26 PHE CD2 C 13 132.305 0.300 . 1 . . . . 26 PHE CD2 . 11213 1 256 . 1 1 26 26 PHE CE1 C 13 130.820 0.300 . 1 . . . . 26 PHE CE1 . 11213 1 257 . 1 1 26 26 PHE CE2 C 13 130.820 0.300 . 1 . . . . 26 PHE CE2 . 11213 1 258 . 1 1 26 26 PHE CZ C 13 129.493 0.300 . 1 . . . . 26 PHE CZ . 11213 1 259 . 1 1 26 26 PHE N N 15 123.929 0.300 . 1 . . . . 26 PHE N . 11213 1 260 . 1 1 27 27 GLU H H 1 7.927 0.030 . 1 . . . . 27 GLU H . 11213 1 261 . 1 1 27 27 GLU HA H 1 4.195 0.030 . 1 . . . . 27 GLU HA . 11213 1 262 . 1 1 27 27 GLU HB2 H 1 1.816 0.030 . 2 . . . . 27 GLU HB2 . 11213 1 263 . 1 1 27 27 GLU HB3 H 1 1.635 0.030 . 2 . . . . 27 GLU HB3 . 11213 1 264 . 1 1 27 27 GLU HG2 H 1 2.035 0.030 . 1 . . . . 27 GLU HG2 . 11213 1 265 . 1 1 27 27 GLU HG3 H 1 2.035 0.030 . 1 . . . . 27 GLU HG3 . 11213 1 266 . 1 1 27 27 GLU C C 13 175.459 0.300 . 1 . . . . 27 GLU C . 11213 1 267 . 1 1 27 27 GLU CA C 13 54.191 0.300 . 1 . . . . 27 GLU CA . 11213 1 268 . 1 1 27 27 GLU CB C 13 30.097 0.300 . 1 . . . . 27 GLU CB . 11213 1 269 . 1 1 27 27 GLU CG C 13 36.100 0.300 . 1 . . . . 27 GLU CG . 11213 1 270 . 1 1 27 27 GLU N N 15 127.822 0.300 . 1 . . . . 27 GLU N . 11213 1 271 . 1 1 28 28 GLY H H 1 6.855 0.030 . 1 . . . . 28 GLY H . 11213 1 272 . 1 1 28 28 GLY HA2 H 1 3.748 0.030 . 2 . . . . 28 GLY HA2 . 11213 1 273 . 1 1 28 28 GLY HA3 H 1 3.575 0.030 . 2 . . . . 28 GLY HA3 . 11213 1 274 . 1 1 28 28 GLY C C 13 173.826 0.300 . 1 . . . . 28 GLY C . 11213 1 275 . 1 1 28 28 GLY CA C 13 46.603 0.300 . 1 . . . . 28 GLY CA . 11213 1 276 . 1 1 28 28 GLY N N 15 109.366 0.300 . 1 . . . . 28 GLY N . 11213 1 277 . 1 1 29 29 GLN H H 1 9.130 0.030 . 1 . . . . 29 GLN H . 11213 1 278 . 1 1 29 29 GLN HA H 1 4.407 0.030 . 1 . . . . 29 GLN HA . 11213 1 279 . 1 1 29 29 GLN HB2 H 1 2.281 0.030 . 2 . . . . 29 GLN HB2 . 11213 1 280 . 1 1 29 29 GLN HB3 H 1 2.005 0.030 . 2 . . . . 29 GLN HB3 . 11213 1 281 . 1 1 29 29 GLN HE21 H 1 7.469 0.030 . 2 . . . . 29 GLN HE21 . 11213 1 282 . 1 1 29 29 GLN HE22 H 1 6.851 0.030 . 2 . . . . 29 GLN HE22 . 11213 1 283 . 1 1 29 29 GLN HG2 H 1 2.393 0.030 . 1 . . . . 29 GLN HG2 . 11213 1 284 . 1 1 29 29 GLN HG3 H 1 2.393 0.030 . 1 . . . . 29 GLN HG3 . 11213 1 285 . 1 1 29 29 GLN C C 13 176.107 0.300 . 1 . . . . 29 GLN C . 11213 1 286 . 1 1 29 29 GLN CA C 13 55.780 0.300 . 1 . . . . 29 GLN CA . 11213 1 287 . 1 1 29 29 GLN CB C 13 30.996 0.300 . 1 . . . . 29 GLN CB . 11213 1 288 . 1 1 29 29 GLN CG C 13 34.052 0.300 . 1 . . . . 29 GLN CG . 11213 1 289 . 1 1 29 29 GLN N N 15 119.862 0.300 . 1 . . . . 29 GLN N . 11213 1 290 . 1 1 29 29 GLN NE2 N 15 113.028 0.300 . 1 . . . . 29 GLN NE2 . 11213 1 291 . 1 1 30 30 GLN H H 1 8.437 0.030 . 1 . . . . 30 GLN H . 11213 1 292 . 1 1 30 30 GLN HA H 1 4.772 0.030 . 1 . . . . 30 GLN HA . 11213 1 293 . 1 1 30 30 GLN HB2 H 1 2.053 0.030 . 2 . . . . 30 GLN HB2 . 11213 1 294 . 1 1 30 30 GLN HB3 H 1 2.007 0.030 . 2 . . . . 30 GLN HB3 . 11213 1 295 . 1 1 30 30 GLN HE21 H 1 6.664 0.030 . 2 . . . . 30 GLN HE21 . 11213 1 296 . 1 1 30 30 GLN HE22 H 1 7.827 0.030 . 2 . . . . 30 GLN HE22 . 11213 1 297 . 1 1 30 30 GLN HG2 H 1 2.332 0.030 . 2 . . . . 30 GLN HG2 . 11213 1 298 . 1 1 30 30 GLN HG3 H 1 2.380 0.030 . 2 . . . . 30 GLN HG3 . 11213 1 299 . 1 1 30 30 GLN C C 13 174.528 0.300 . 1 . . . . 30 GLN C . 11213 1 300 . 1 1 30 30 GLN CA C 13 53.211 0.300 . 1 . . . . 30 GLN CA . 11213 1 301 . 1 1 30 30 GLN CB C 13 28.485 0.300 . 1 . . . . 30 GLN CB . 11213 1 302 . 1 1 30 30 GLN CG C 13 33.166 0.300 . 1 . . . . 30 GLN CG . 11213 1 303 . 1 1 30 30 GLN N N 15 120.239 0.300 . 1 . . . . 30 GLN N . 11213 1 304 . 1 1 30 30 GLN NE2 N 15 113.028 0.300 . 1 . . . . 30 GLN NE2 . 11213 1 305 . 1 1 31 31 PRO HA H 1 4.386 0.030 . 1 . . . . 31 PRO HA . 11213 1 306 . 1 1 31 31 PRO HB2 H 1 2.364 0.030 . 2 . . . . 31 PRO HB2 . 11213 1 307 . 1 1 31 31 PRO HB3 H 1 1.909 0.030 . 2 . . . . 31 PRO HB3 . 11213 1 308 . 1 1 31 31 PRO HD2 H 1 3.671 0.030 . 2 . . . . 31 PRO HD2 . 11213 1 309 . 1 1 31 31 PRO HD3 H 1 3.841 0.030 . 2 . . . . 31 PRO HD3 . 11213 1 310 . 1 1 31 31 PRO HG2 H 1 2.151 0.030 . 2 . . . . 31 PRO HG2 . 11213 1 311 . 1 1 31 31 PRO HG3 H 1 2.017 0.030 . 2 . . . . 31 PRO HG3 . 11213 1 312 . 1 1 31 31 PRO C C 13 178.049 0.300 . 1 . . . . 31 PRO C . 11213 1 313 . 1 1 31 31 PRO CA C 13 64.292 0.300 . 1 . . . . 31 PRO CA . 11213 1 314 . 1 1 31 31 PRO CB C 13 31.400 0.300 . 1 . . . . 31 PRO CB . 11213 1 315 . 1 1 31 31 PRO CD C 13 50.616 0.300 . 1 . . . . 31 PRO CD . 11213 1 316 . 1 1 31 31 PRO CG C 13 27.800 0.300 . 1 . . . . 31 PRO CG . 11213 1 317 . 1 1 32 32 GLY H H 1 8.837 0.030 . 1 . . . . 32 GLY H . 11213 1 318 . 1 1 32 32 GLY HA2 H 1 4.301 0.030 . 2 . . . . 32 GLY HA2 . 11213 1 319 . 1 1 32 32 GLY HA3 H 1 4.006 0.030 . 2 . . . . 32 GLY HA3 . 11213 1 320 . 1 1 32 32 GLY C C 13 174.506 0.300 . 1 . . . . 32 GLY C . 11213 1 321 . 1 1 32 32 GLY CA C 13 45.138 0.300 . 1 . . . . 32 GLY CA . 11213 1 322 . 1 1 32 32 GLY N N 15 112.590 0.300 . 1 . . . . 32 GLY N . 11213 1 323 . 1 1 33 33 ASP H H 1 7.829 0.030 . 1 . . . . 33 ASP H . 11213 1 324 . 1 1 33 33 ASP HA H 1 5.278 0.030 . 1 . . . . 33 ASP HA . 11213 1 325 . 1 1 33 33 ASP HB2 H 1 2.939 0.030 . 2 . . . . 33 ASP HB2 . 11213 1 326 . 1 1 33 33 ASP HB3 H 1 2.841 0.030 . 2 . . . . 33 ASP HB3 . 11213 1 327 . 1 1 33 33 ASP C C 13 177.218 0.300 . 1 . . . . 33 ASP C . 11213 1 328 . 1 1 33 33 ASP CA C 13 54.502 0.300 . 1 . . . . 33 ASP CA . 11213 1 329 . 1 1 33 33 ASP CB C 13 41.603 0.300 . 1 . . . . 33 ASP CB . 11213 1 330 . 1 1 33 33 ASP N N 15 122.783 0.300 . 1 . . . . 33 ASP N . 11213 1 331 . 1 1 34 34 LEU H H 1 9.714 0.030 . 1 . . . . 34 LEU H . 11213 1 332 . 1 1 34 34 LEU HA H 1 4.458 0.030 . 1 . . . . 34 LEU HA . 11213 1 333 . 1 1 34 34 LEU HB2 H 1 1.974 0.030 . 2 . . . . 34 LEU HB2 . 11213 1 334 . 1 1 34 34 LEU HB3 H 1 1.140 0.030 . 2 . . . . 34 LEU HB3 . 11213 1 335 . 1 1 34 34 LEU HD11 H 1 0.742 0.030 . 1 . . . . 34 LEU HD1 . 11213 1 336 . 1 1 34 34 LEU HD12 H 1 0.742 0.030 . 1 . . . . 34 LEU HD1 . 11213 1 337 . 1 1 34 34 LEU HD13 H 1 0.742 0.030 . 1 . . . . 34 LEU HD1 . 11213 1 338 . 1 1 34 34 LEU HD21 H 1 0.927 0.030 . 1 . . . . 34 LEU HD2 . 11213 1 339 . 1 1 34 34 LEU HD22 H 1 0.927 0.030 . 1 . . . . 34 LEU HD2 . 11213 1 340 . 1 1 34 34 LEU HD23 H 1 0.927 0.030 . 1 . . . . 34 LEU HD2 . 11213 1 341 . 1 1 34 34 LEU HG H 1 1.699 0.030 . 1 . . . . 34 LEU HG . 11213 1 342 . 1 1 34 34 LEU C C 13 173.221 0.300 . 1 . . . . 34 LEU C . 11213 1 343 . 1 1 34 34 LEU CA C 13 54.040 0.300 . 1 . . . . 34 LEU CA . 11213 1 344 . 1 1 34 34 LEU CB C 13 44.200 0.300 . 1 . . . . 34 LEU CB . 11213 1 345 . 1 1 34 34 LEU CD1 C 13 25.855 0.300 . 2 . . . . 34 LEU CD1 . 11213 1 346 . 1 1 34 34 LEU CD2 C 13 23.554 0.300 . 2 . . . . 34 LEU CD2 . 11213 1 347 . 1 1 34 34 LEU CG C 13 27.019 0.300 . 1 . . . . 34 LEU CG . 11213 1 348 . 1 1 34 34 LEU N N 15 126.913 0.300 . 1 . . . . 34 LEU N . 11213 1 349 . 1 1 35 35 ASN H H 1 7.690 0.030 . 1 . . . . 35 ASN H . 11213 1 350 . 1 1 35 35 ASN HA H 1 4.930 0.030 . 1 . . . . 35 ASN HA . 11213 1 351 . 1 1 35 35 ASN HB2 H 1 2.662 0.030 . 1 . . . . 35 ASN HB2 . 11213 1 352 . 1 1 35 35 ASN HB3 H 1 2.662 0.030 . 1 . . . . 35 ASN HB3 . 11213 1 353 . 1 1 35 35 ASN HD21 H 1 7.151 0.030 . 2 . . . . 35 ASN HD21 . 11213 1 354 . 1 1 35 35 ASN HD22 H 1 7.365 0.030 . 2 . . . . 35 ASN HD22 . 11213 1 355 . 1 1 35 35 ASN C C 13 175.017 0.300 . 1 . . . . 35 ASN C . 11213 1 356 . 1 1 35 35 ASN CA C 13 52.410 0.300 . 1 . . . . 35 ASN CA . 11213 1 357 . 1 1 35 35 ASN CB C 13 40.905 0.300 . 1 . . . . 35 ASN CB . 11213 1 358 . 1 1 35 35 ASN N N 15 118.815 0.300 . 1 . . . . 35 ASN N . 11213 1 359 . 1 1 35 35 ASN ND2 N 15 113.130 0.300 . 1 . . . . 35 ASN ND2 . 11213 1 360 . 1 1 36 36 PHE H H 1 8.336 0.030 . 1 . . . . 36 PHE H . 11213 1 361 . 1 1 36 36 PHE HA H 1 4.799 0.030 . 1 . . . . 36 PHE HA . 11213 1 362 . 1 1 36 36 PHE HB2 H 1 3.221 0.030 . 1 . . . . 36 PHE HB2 . 11213 1 363 . 1 1 36 36 PHE HB3 H 1 3.221 0.030 . 1 . . . . 36 PHE HB3 . 11213 1 364 . 1 1 36 36 PHE HD1 H 1 6.725 0.030 . 1 . . . . 36 PHE HD1 . 11213 1 365 . 1 1 36 36 PHE HD2 H 1 6.725 0.030 . 1 . . . . 36 PHE HD2 . 11213 1 366 . 1 1 36 36 PHE HE1 H 1 7.222 0.030 . 1 . . . . 36 PHE HE1 . 11213 1 367 . 1 1 36 36 PHE HE2 H 1 7.222 0.030 . 1 . . . . 36 PHE HE2 . 11213 1 368 . 1 1 36 36 PHE HZ H 1 6.593 0.030 . 1 . . . . 36 PHE HZ . 11213 1 369 . 1 1 36 36 PHE C C 13 174.355 0.300 . 1 . . . . 36 PHE C . 11213 1 370 . 1 1 36 36 PHE CA C 13 56.217 0.300 . 1 . . . . 36 PHE CA . 11213 1 371 . 1 1 36 36 PHE CB C 13 40.407 0.300 . 1 . . . . 36 PHE CB . 11213 1 372 . 1 1 36 36 PHE CD1 C 13 132.732 0.300 . 1 . . . . 36 PHE CD1 . 11213 1 373 . 1 1 36 36 PHE CD2 C 13 132.732 0.300 . 1 . . . . 36 PHE CD2 . 11213 1 374 . 1 1 36 36 PHE CE1 C 13 131.264 0.300 . 1 . . . . 36 PHE CE1 . 11213 1 375 . 1 1 36 36 PHE CE2 C 13 131.264 0.300 . 1 . . . . 36 PHE CE2 . 11213 1 376 . 1 1 36 36 PHE CZ C 13 127.718 0.300 . 1 . . . . 36 PHE CZ . 11213 1 377 . 1 1 36 36 PHE N N 15 114.699 0.300 . 1 . . . . 36 PHE N . 11213 1 378 . 1 1 37 37 GLN H H 1 9.581 0.030 . 1 . . . . 37 GLN H . 11213 1 379 . 1 1 37 37 GLN HA H 1 4.867 0.030 . 1 . . . . 37 GLN HA . 11213 1 380 . 1 1 37 37 GLN HB2 H 1 2.096 0.030 . 2 . . . . 37 GLN HB2 . 11213 1 381 . 1 1 37 37 GLN HB3 H 1 1.930 0.030 . 2 . . . . 37 GLN HB3 . 11213 1 382 . 1 1 37 37 GLN HE21 H 1 7.608 0.030 . 2 . . . . 37 GLN HE21 . 11213 1 383 . 1 1 37 37 GLN HE22 H 1 6.885 0.030 . 2 . . . . 37 GLN HE22 . 11213 1 384 . 1 1 37 37 GLN HG2 H 1 2.381 0.030 . 1 . . . . 37 GLN HG2 . 11213 1 385 . 1 1 37 37 GLN HG3 H 1 2.381 0.030 . 1 . . . . 37 GLN HG3 . 11213 1 386 . 1 1 37 37 GLN C C 13 175.438 0.300 . 1 . . . . 37 GLN C . 11213 1 387 . 1 1 37 37 GLN CA C 13 53.181 0.300 . 1 . . . . 37 GLN CA . 11213 1 388 . 1 1 37 37 GLN CB C 13 31.809 0.300 . 1 . . . . 37 GLN CB . 11213 1 389 . 1 1 37 37 GLN CG C 13 34.265 0.300 . 1 . . . . 37 GLN CG . 11213 1 390 . 1 1 37 37 GLN N N 15 120.121 0.300 . 1 . . . . 37 GLN N . 11213 1 391 . 1 1 37 37 GLN NE2 N 15 113.356 0.300 . 1 . . . . 37 GLN NE2 . 11213 1 392 . 1 1 38 38 ALA H H 1 8.141 0.030 . 1 . . . . 38 ALA H . 11213 1 393 . 1 1 38 38 ALA HA H 1 3.430 0.030 . 1 . . . . 38 ALA HA . 11213 1 394 . 1 1 38 38 ALA HB1 H 1 1.203 0.030 . 1 . . . . 38 ALA HB . 11213 1 395 . 1 1 38 38 ALA HB2 H 1 1.203 0.030 . 1 . . . . 38 ALA HB . 11213 1 396 . 1 1 38 38 ALA HB3 H 1 1.203 0.030 . 1 . . . . 38 ALA HB . 11213 1 397 . 1 1 38 38 ALA C C 13 177.978 0.300 . 1 . . . . 38 ALA C . 11213 1 398 . 1 1 38 38 ALA CA C 13 53.953 0.300 . 1 . . . . 38 ALA CA . 11213 1 399 . 1 1 38 38 ALA CB C 13 17.915 0.300 . 1 . . . . 38 ALA CB . 11213 1 400 . 1 1 38 38 ALA N N 15 123.929 0.300 . 1 . . . . 38 ALA N . 11213 1 401 . 1 1 39 39 GLY H H 1 8.858 0.030 . 1 . . . . 39 GLY H . 11213 1 402 . 1 1 39 39 GLY HA2 H 1 4.407 0.030 . 2 . . . . 39 GLY HA2 . 11213 1 403 . 1 1 39 39 GLY HA3 H 1 3.402 0.030 . 2 . . . . 39 GLY HA3 . 11213 1 404 . 1 1 39 39 GLY C C 13 174.430 0.300 . 1 . . . . 39 GLY C . 11213 1 405 . 1 1 39 39 GLY CA C 13 44.807 0.300 . 1 . . . . 39 GLY CA . 11213 1 406 . 1 1 39 39 GLY N N 15 111.814 0.300 . 1 . . . . 39 GLY N . 11213 1 407 . 1 1 40 40 ASP H H 1 8.226 0.030 . 1 . . . . 40 ASP H . 11213 1 408 . 1 1 40 40 ASP HA H 1 4.598 0.030 . 1 . . . . 40 ASP HA . 11213 1 409 . 1 1 40 40 ASP HB2 H 1 2.863 0.030 . 2 . . . . 40 ASP HB2 . 11213 1 410 . 1 1 40 40 ASP HB3 H 1 2.351 0.030 . 2 . . . . 40 ASP HB3 . 11213 1 411 . 1 1 40 40 ASP C C 13 174.944 0.300 . 1 . . . . 40 ASP C . 11213 1 412 . 1 1 40 40 ASP CA C 13 55.713 0.300 . 1 . . . . 40 ASP CA . 11213 1 413 . 1 1 40 40 ASP CB C 13 41.624 0.300 . 1 . . . . 40 ASP CB . 11213 1 414 . 1 1 40 40 ASP N N 15 121.748 0.300 . 1 . . . . 40 ASP N . 11213 1 415 . 1 1 41 41 ARG H H 1 8.295 0.030 . 1 . . . . 41 ARG H . 11213 1 416 . 1 1 41 41 ARG HA H 1 5.059 0.030 . 1 . . . . 41 ARG HA . 11213 1 417 . 1 1 41 41 ARG HB2 H 1 1.683 0.030 . 1 . . . . 41 ARG HB2 . 11213 1 418 . 1 1 41 41 ARG HB3 H 1 1.683 0.030 . 1 . . . . 41 ARG HB3 . 11213 1 419 . 1 1 41 41 ARG HD2 H 1 3.116 0.030 . 1 . . . . 41 ARG HD2 . 11213 1 420 . 1 1 41 41 ARG HD3 H 1 3.116 0.030 . 1 . . . . 41 ARG HD3 . 11213 1 421 . 1 1 41 41 ARG HG2 H 1 1.584 0.030 . 2 . . . . 41 ARG HG2 . 11213 1 422 . 1 1 41 41 ARG HG3 H 1 1.543 0.030 . 2 . . . . 41 ARG HG3 . 11213 1 423 . 1 1 41 41 ARG C C 13 175.399 0.300 . 1 . . . . 41 ARG C . 11213 1 424 . 1 1 41 41 ARG CA C 13 54.383 0.300 . 1 . . . . 41 ARG CA . 11213 1 425 . 1 1 41 41 ARG CB C 13 30.569 0.300 . 1 . . . . 41 ARG CB . 11213 1 426 . 1 1 41 41 ARG CD C 13 43.256 0.300 . 1 . . . . 41 ARG CD . 11213 1 427 . 1 1 41 41 ARG CG C 13 27.052 0.300 . 1 . . . . 41 ARG CG . 11213 1 428 . 1 1 41 41 ARG N N 15 120.383 0.300 . 1 . . . . 41 ARG N . 11213 1 429 . 1 1 42 42 ILE H H 1 8.678 0.030 . 1 . . . . 42 ILE H . 11213 1 430 . 1 1 42 42 ILE HA H 1 4.069 0.030 . 1 . . . . 42 ILE HA . 11213 1 431 . 1 1 42 42 ILE HB H 1 1.056 0.030 . 1 . . . . 42 ILE HB . 11213 1 432 . 1 1 42 42 ILE HD11 H 1 -0.636 0.030 . 1 . . . . 42 ILE HD1 . 11213 1 433 . 1 1 42 42 ILE HD12 H 1 -0.636 0.030 . 1 . . . . 42 ILE HD1 . 11213 1 434 . 1 1 42 42 ILE HD13 H 1 -0.636 0.030 . 1 . . . . 42 ILE HD1 . 11213 1 435 . 1 1 42 42 ILE HG12 H 1 0.905 0.030 . 2 . . . . 42 ILE HG12 . 11213 1 436 . 1 1 42 42 ILE HG13 H 1 0.340 0.030 . 2 . . . . 42 ILE HG13 . 11213 1 437 . 1 1 42 42 ILE HG21 H 1 0.384 0.030 . 1 . . . . 42 ILE HG2 . 11213 1 438 . 1 1 42 42 ILE HG22 H 1 0.384 0.030 . 1 . . . . 42 ILE HG2 . 11213 1 439 . 1 1 42 42 ILE HG23 H 1 0.384 0.030 . 1 . . . . 42 ILE HG2 . 11213 1 440 . 1 1 42 42 ILE C C 13 175.519 0.300 . 1 . . . . 42 ILE C . 11213 1 441 . 1 1 42 42 ILE CA C 13 60.473 0.300 . 1 . . . . 42 ILE CA . 11213 1 442 . 1 1 42 42 ILE CB C 13 41.787 0.300 . 1 . . . . 42 ILE CB . 11213 1 443 . 1 1 42 42 ILE CD1 C 13 13.835 0.300 . 1 . . . . 42 ILE CD1 . 11213 1 444 . 1 1 42 42 ILE CG1 C 13 28.756 0.300 . 1 . . . . 42 ILE CG1 . 11213 1 445 . 1 1 42 42 ILE CG2 C 13 18.014 0.300 . 1 . . . . 42 ILE CG2 . 11213 1 446 . 1 1 42 42 ILE N N 15 126.784 0.300 . 1 . . . . 42 ILE N . 11213 1 447 . 1 1 43 43 THR H H 1 8.442 0.030 . 1 . . . . 43 THR H . 11213 1 448 . 1 1 43 43 THR HA H 1 4.684 0.030 . 1 . . . . 43 THR HA . 11213 1 449 . 1 1 43 43 THR HB H 1 4.094 0.030 . 1 . . . . 43 THR HB . 11213 1 450 . 1 1 43 43 THR HG21 H 1 1.157 0.030 . 1 . . . . 43 THR HG2 . 11213 1 451 . 1 1 43 43 THR HG22 H 1 1.157 0.030 . 1 . . . . 43 THR HG2 . 11213 1 452 . 1 1 43 43 THR HG23 H 1 1.157 0.030 . 1 . . . . 43 THR HG2 . 11213 1 453 . 1 1 43 43 THR C C 13 173.924 0.300 . 1 . . . . 43 THR C . 11213 1 454 . 1 1 43 43 THR CA C 13 62.833 0.300 . 1 . . . . 43 THR CA . 11213 1 455 . 1 1 43 43 THR CB C 13 69.496 0.300 . 1 . . . . 43 THR CB . 11213 1 456 . 1 1 43 43 THR CG2 C 13 21.500 0.300 . 1 . . . . 43 THR CG2 . 11213 1 457 . 1 1 43 43 THR N N 15 123.799 0.300 . 1 . . . . 43 THR N . 11213 1 458 . 1 1 44 44 VAL H H 1 9.454 0.030 . 1 . . . . 44 VAL H . 11213 1 459 . 1 1 44 44 VAL HA H 1 4.242 0.030 . 1 . . . . 44 VAL HA . 11213 1 460 . 1 1 44 44 VAL HB H 1 2.102 0.030 . 1 . . . . 44 VAL HB . 11213 1 461 . 1 1 44 44 VAL HG11 H 1 1.164 0.030 . 1 . . . . 44 VAL HG1 . 11213 1 462 . 1 1 44 44 VAL HG12 H 1 1.164 0.030 . 1 . . . . 44 VAL HG1 . 11213 1 463 . 1 1 44 44 VAL HG13 H 1 1.164 0.030 . 1 . . . . 44 VAL HG1 . 11213 1 464 . 1 1 44 44 VAL HG21 H 1 0.846 0.030 . 1 . . . . 44 VAL HG2 . 11213 1 465 . 1 1 44 44 VAL HG22 H 1 0.846 0.030 . 1 . . . . 44 VAL HG2 . 11213 1 466 . 1 1 44 44 VAL HG23 H 1 0.846 0.030 . 1 . . . . 44 VAL HG2 . 11213 1 467 . 1 1 44 44 VAL C C 13 175.255 0.300 . 1 . . . . 44 VAL C . 11213 1 468 . 1 1 44 44 VAL CA C 13 64.143 0.300 . 1 . . . . 44 VAL CA . 11213 1 469 . 1 1 44 44 VAL CB C 13 31.983 0.300 . 1 . . . . 44 VAL CB . 11213 1 470 . 1 1 44 44 VAL CG1 C 13 24.912 0.300 . 2 . . . . 44 VAL CG1 . 11213 1 471 . 1 1 44 44 VAL CG2 C 13 22.243 0.300 . 2 . . . . 44 VAL CG2 . 11213 1 472 . 1 1 44 44 VAL N N 15 129.768 0.300 . 1 . . . . 44 VAL N . 11213 1 473 . 1 1 45 45 ILE H H 1 9.005 0.030 . 1 . . . . 45 ILE H . 11213 1 474 . 1 1 45 45 ILE HA H 1 4.367 0.030 . 1 . . . . 45 ILE HA . 11213 1 475 . 1 1 45 45 ILE HB H 1 1.761 0.030 . 1 . . . . 45 ILE HB . 11213 1 476 . 1 1 45 45 ILE HD11 H 1 0.792 0.030 . 1 . . . . 45 ILE HD1 . 11213 1 477 . 1 1 45 45 ILE HD12 H 1 0.792 0.030 . 1 . . . . 45 ILE HD1 . 11213 1 478 . 1 1 45 45 ILE HD13 H 1 0.792 0.030 . 1 . . . . 45 ILE HD1 . 11213 1 479 . 1 1 45 45 ILE HG12 H 1 1.398 0.030 . 2 . . . . 45 ILE HG12 . 11213 1 480 . 1 1 45 45 ILE HG13 H 1 0.964 0.030 . 2 . . . . 45 ILE HG13 . 11213 1 481 . 1 1 45 45 ILE HG21 H 1 0.876 0.030 . 1 . . . . 45 ILE HG2 . 11213 1 482 . 1 1 45 45 ILE HG22 H 1 0.876 0.030 . 1 . . . . 45 ILE HG2 . 11213 1 483 . 1 1 45 45 ILE HG23 H 1 0.876 0.030 . 1 . . . . 45 ILE HG2 . 11213 1 484 . 1 1 45 45 ILE C C 13 176.414 0.300 . 1 . . . . 45 ILE C . 11213 1 485 . 1 1 45 45 ILE CA C 13 61.479 0.300 . 1 . . . . 45 ILE CA . 11213 1 486 . 1 1 45 45 ILE CB C 13 39.174 0.300 . 1 . . . . 45 ILE CB . 11213 1 487 . 1 1 45 45 ILE CD1 C 13 13.243 0.300 . 1 . . . . 45 ILE CD1 . 11213 1 488 . 1 1 45 45 ILE CG1 C 13 26.848 0.300 . 1 . . . . 45 ILE CG1 . 11213 1 489 . 1 1 45 45 ILE CG2 C 13 17.548 0.300 . 1 . . . . 45 ILE CG2 . 11213 1 490 . 1 1 45 45 ILE N N 15 124.059 0.300 . 1 . . . . 45 ILE N . 11213 1 491 . 1 1 46 46 SER H H 1 7.772 0.030 . 1 . . . . 46 SER H . 11213 1 492 . 1 1 46 46 SER HA H 1 4.649 0.030 . 1 . . . . 46 SER HA . 11213 1 493 . 1 1 46 46 SER HB2 H 1 3.808 0.030 . 1 . . . . 46 SER HB2 . 11213 1 494 . 1 1 46 46 SER HB3 H 1 3.808 0.030 . 1 . . . . 46 SER HB3 . 11213 1 495 . 1 1 46 46 SER C C 13 171.968 0.300 . 1 . . . . 46 SER C . 11213 1 496 . 1 1 46 46 SER CA C 13 57.984 0.300 . 1 . . . . 46 SER CA . 11213 1 497 . 1 1 46 46 SER CB C 13 64.754 0.300 . 1 . . . . 46 SER CB . 11213 1 498 . 1 1 46 46 SER N N 15 115.448 0.300 . 1 . . . . 46 SER N . 11213 1 499 . 1 1 47 47 LYS H H 1 8.405 0.030 . 1 . . . . 47 LYS H . 11213 1 500 . 1 1 47 47 LYS HA H 1 4.198 0.030 . 1 . . . . 47 LYS HA . 11213 1 501 . 1 1 47 47 LYS HB2 H 1 0.846 0.030 . 2 . . . . 47 LYS HB2 . 11213 1 502 . 1 1 47 47 LYS HB3 H 1 0.046 0.030 . 2 . . . . 47 LYS HB3 . 11213 1 503 . 1 1 47 47 LYS HD2 H 1 1.295 0.030 . 2 . . . . 47 LYS HD2 . 11213 1 504 . 1 1 47 47 LYS HD3 H 1 0.824 0.030 . 2 . . . . 47 LYS HD3 . 11213 1 505 . 1 1 47 47 LYS HE2 H 1 2.540 0.030 . 2 . . . . 47 LYS HE2 . 11213 1 506 . 1 1 47 47 LYS HE3 H 1 2.110 0.030 . 2 . . . . 47 LYS HE3 . 11213 1 507 . 1 1 47 47 LYS HG2 H 1 0.601 0.030 . 2 . . . . 47 LYS HG2 . 11213 1 508 . 1 1 47 47 LYS HG3 H 1 0.890 0.030 . 2 . . . . 47 LYS HG3 . 11213 1 509 . 1 1 47 47 LYS C C 13 174.603 0.300 . 1 . . . . 47 LYS C . 11213 1 510 . 1 1 47 47 LYS CA C 13 54.936 0.300 . 1 . . . . 47 LYS CA . 11213 1 511 . 1 1 47 47 LYS CB C 13 33.133 0.300 . 1 . . . . 47 LYS CB . 11213 1 512 . 1 1 47 47 LYS CD C 13 28.525 0.300 . 1 . . . . 47 LYS CD . 11213 1 513 . 1 1 47 47 LYS CE C 13 40.394 0.300 . 1 . . . . 47 LYS CE . 11213 1 514 . 1 1 47 47 LYS CG C 13 20.926 0.300 . 1 . . . . 47 LYS CG . 11213 1 515 . 1 1 47 47 LYS N N 15 120.703 0.300 . 1 . . . . 47 LYS N . 11213 1 516 . 1 1 48 48 THR H H 1 6.519 0.030 . 1 . . . . 48 THR H . 11213 1 517 . 1 1 48 48 THR HA H 1 4.579 0.030 . 1 . . . . 48 THR HA . 11213 1 518 . 1 1 48 48 THR HB H 1 4.535 0.030 . 1 . . . . 48 THR HB . 11213 1 519 . 1 1 48 48 THR HG21 H 1 1.130 0.030 . 1 . . . . 48 THR HG2 . 11213 1 520 . 1 1 48 48 THR HG22 H 1 1.130 0.030 . 1 . . . . 48 THR HG2 . 11213 1 521 . 1 1 48 48 THR HG23 H 1 1.130 0.030 . 1 . . . . 48 THR HG2 . 11213 1 522 . 1 1 48 48 THR C C 13 174.135 0.300 . 1 . . . . 48 THR C . 11213 1 523 . 1 1 48 48 THR CA C 13 59.682 0.300 . 1 . . . . 48 THR CA . 11213 1 524 . 1 1 48 48 THR CB C 13 70.320 0.300 . 1 . . . . 48 THR CB . 11213 1 525 . 1 1 48 48 THR CG2 C 13 21.590 0.300 . 1 . . . . 48 THR CG2 . 11213 1 526 . 1 1 48 48 THR N N 15 110.981 0.300 . 1 . . . . 48 THR N . 11213 1 527 . 1 1 49 49 ASP H H 1 8.329 0.030 . 1 . . . . 49 ASP H . 11213 1 528 . 1 1 49 49 ASP HA H 1 4.703 0.030 . 1 . . . . 49 ASP HA . 11213 1 529 . 1 1 49 49 ASP HB2 H 1 2.815 0.030 . 2 . . . . 49 ASP HB2 . 11213 1 530 . 1 1 49 49 ASP HB3 H 1 2.646 0.030 . 2 . . . . 49 ASP HB3 . 11213 1 531 . 1 1 49 49 ASP C C 13 176.306 0.300 . 1 . . . . 49 ASP C . 11213 1 532 . 1 1 49 49 ASP CA C 13 54.466 0.300 . 1 . . . . 49 ASP CA . 11213 1 533 . 1 1 49 49 ASP CB C 13 41.045 0.300 . 1 . . . . 49 ASP CB . 11213 1 534 . 1 1 49 49 ASP N N 15 117.011 0.300 . 1 . . . . 49 ASP N . 11213 1 535 . 1 1 50 50 SER H H 1 8.273 0.030 . 1 . . . . 50 SER H . 11213 1 536 . 1 1 50 50 SER HA H 1 4.806 0.030 . 1 . . . . 50 SER HA . 11213 1 537 . 1 1 50 50 SER HB2 H 1 3.813 0.030 . 2 . . . . 50 SER HB2 . 11213 1 538 . 1 1 50 50 SER HB3 H 1 3.896 0.030 . 2 . . . . 50 SER HB3 . 11213 1 539 . 1 1 50 50 SER C C 13 175.124 0.300 . 1 . . . . 50 SER C . 11213 1 540 . 1 1 50 50 SER CA C 13 56.945 0.300 . 1 . . . . 50 SER CA . 11213 1 541 . 1 1 50 50 SER CB C 13 64.467 0.300 . 1 . . . . 50 SER CB . 11213 1 542 . 1 1 50 50 SER N N 15 113.756 0.300 . 1 . . . . 50 SER N . 11213 1 543 . 1 1 51 51 HIS HA H 1 4.097 0.030 . 1 . . . . 51 HIS HA . 11213 1 544 . 1 1 51 51 HIS HB2 H 1 2.800 0.030 . 2 . . . . 51 HIS HB2 . 11213 1 545 . 1 1 51 51 HIS HB3 H 1 2.746 0.030 . 2 . . . . 51 HIS HB3 . 11213 1 546 . 1 1 51 51 HIS HD2 H 1 6.718 0.030 . 1 . . . . 51 HIS HD2 . 11213 1 547 . 1 1 51 51 HIS HE1 H 1 7.751 0.030 . 1 . . . . 51 HIS HE1 . 11213 1 548 . 1 1 51 51 HIS C C 13 173.548 0.300 . 1 . . . . 51 HIS C . 11213 1 549 . 1 1 51 51 HIS CA C 13 56.756 0.300 . 1 . . . . 51 HIS CA . 11213 1 550 . 1 1 51 51 HIS CB C 13 28.629 0.300 . 1 . . . . 51 HIS CB . 11213 1 551 . 1 1 51 51 HIS CD2 C 13 121.640 0.300 . 1 . . . . 51 HIS CD2 . 11213 1 552 . 1 1 51 51 HIS CE1 C 13 137.458 0.300 . 1 . . . . 51 HIS CE1 . 11213 1 553 . 1 1 52 52 PHE H H 1 7.966 0.030 . 1 . . . . 52 PHE H . 11213 1 554 . 1 1 52 52 PHE HA H 1 4.563 0.030 . 1 . . . . 52 PHE HA . 11213 1 555 . 1 1 52 52 PHE HB2 H 1 3.347 0.030 . 2 . . . . 52 PHE HB2 . 11213 1 556 . 1 1 52 52 PHE HB3 H 1 2.742 0.030 . 2 . . . . 52 PHE HB3 . 11213 1 557 . 1 1 52 52 PHE HD1 H 1 7.215 0.030 . 1 . . . . 52 PHE HD1 . 11213 1 558 . 1 1 52 52 PHE HD2 H 1 7.215 0.030 . 1 . . . . 52 PHE HD2 . 11213 1 559 . 1 1 52 52 PHE HE1 H 1 7.371 0.030 . 1 . . . . 52 PHE HE1 . 11213 1 560 . 1 1 52 52 PHE HE2 H 1 7.371 0.030 . 1 . . . . 52 PHE HE2 . 11213 1 561 . 1 1 52 52 PHE HZ H 1 7.318 0.030 . 1 . . . . 52 PHE HZ . 11213 1 562 . 1 1 52 52 PHE C C 13 175.671 0.300 . 1 . . . . 52 PHE C . 11213 1 563 . 1 1 52 52 PHE CA C 13 57.685 0.300 . 1 . . . . 52 PHE CA . 11213 1 564 . 1 1 52 52 PHE CB C 13 38.940 0.300 . 1 . . . . 52 PHE CB . 11213 1 565 . 1 1 52 52 PHE CD1 C 13 131.220 0.300 . 1 . . . . 52 PHE CD1 . 11213 1 566 . 1 1 52 52 PHE CD2 C 13 131.220 0.300 . 1 . . . . 52 PHE CD2 . 11213 1 567 . 1 1 52 52 PHE CE1 C 13 131.234 0.300 . 1 . . . . 52 PHE CE1 . 11213 1 568 . 1 1 52 52 PHE CE2 C 13 131.234 0.300 . 1 . . . . 52 PHE CE2 . 11213 1 569 . 1 1 52 52 PHE CZ C 13 129.660 0.300 . 1 . . . . 52 PHE CZ . 11213 1 570 . 1 1 52 52 PHE N N 15 116.520 0.300 . 1 . . . . 52 PHE N . 11213 1 571 . 1 1 53 53 ASP H H 1 7.080 0.030 . 1 . . . . 53 ASP H . 11213 1 572 . 1 1 53 53 ASP HA H 1 4.881 0.030 . 1 . . . . 53 ASP HA . 11213 1 573 . 1 1 53 53 ASP HB2 H 1 2.978 0.030 . 2 . . . . 53 ASP HB2 . 11213 1 574 . 1 1 53 53 ASP HB3 H 1 2.729 0.030 . 2 . . . . 53 ASP HB3 . 11213 1 575 . 1 1 53 53 ASP C C 13 174.388 0.300 . 1 . . . . 53 ASP C . 11213 1 576 . 1 1 53 53 ASP CA C 13 53.820 0.300 . 1 . . . . 53 ASP CA . 11213 1 577 . 1 1 53 53 ASP CB C 13 42.761 0.300 . 1 . . . . 53 ASP CB . 11213 1 578 . 1 1 53 53 ASP N N 15 119.304 0.300 . 1 . . . . 53 ASP N . 11213 1 579 . 1 1 54 54 TRP H H 1 8.554 0.030 . 1 . . . . 54 TRP H . 11213 1 580 . 1 1 54 54 TRP HA H 1 4.853 0.030 . 1 . . . . 54 TRP HA . 11213 1 581 . 1 1 54 54 TRP HB2 H 1 2.921 0.030 . 2 . . . . 54 TRP HB2 . 11213 1 582 . 1 1 54 54 TRP HB3 H 1 2.886 0.030 . 2 . . . . 54 TRP HB3 . 11213 1 583 . 1 1 54 54 TRP HD1 H 1 7.258 0.030 . 1 . . . . 54 TRP HD1 . 11213 1 584 . 1 1 54 54 TRP HE1 H 1 10.142 0.030 . 1 . . . . 54 TRP HE1 . 11213 1 585 . 1 1 54 54 TRP HE3 H 1 7.123 0.030 . 1 . . . . 54 TRP HE3 . 11213 1 586 . 1 1 54 54 TRP HH2 H 1 7.358 0.030 . 1 . . . . 54 TRP HH2 . 11213 1 587 . 1 1 54 54 TRP HZ2 H 1 7.439 0.030 . 1 . . . . 54 TRP HZ2 . 11213 1 588 . 1 1 54 54 TRP HZ3 H 1 7.080 0.030 . 1 . . . . 54 TRP HZ3 . 11213 1 589 . 1 1 54 54 TRP C C 13 175.955 0.300 . 1 . . . . 54 TRP C . 11213 1 590 . 1 1 54 54 TRP CA C 13 56.928 0.300 . 1 . . . . 54 TRP CA . 11213 1 591 . 1 1 54 54 TRP CB C 13 28.581 0.300 . 1 . . . . 54 TRP CB . 11213 1 592 . 1 1 54 54 TRP CD1 C 13 125.830 0.300 . 1 . . . . 54 TRP CD1 . 11213 1 593 . 1 1 54 54 TRP CE3 C 13 119.800 0.300 . 1 . . . . 54 TRP CE3 . 11213 1 594 . 1 1 54 54 TRP CH2 C 13 124.675 0.300 . 1 . . . . 54 TRP CH2 . 11213 1 595 . 1 1 54 54 TRP CZ2 C 13 114.279 0.300 . 1 . . . . 54 TRP CZ2 . 11213 1 596 . 1 1 54 54 TRP CZ3 C 13 121.536 0.300 . 1 . . . . 54 TRP CZ3 . 11213 1 597 . 1 1 54 54 TRP N N 15 119.605 0.300 . 1 . . . . 54 TRP N . 11213 1 598 . 1 1 54 54 TRP NE1 N 15 130.254 0.300 . 1 . . . . 54 TRP NE1 . 11213 1 599 . 1 1 55 55 TRP H H 1 8.199 0.030 . 1 . . . . 55 TRP H . 11213 1 600 . 1 1 55 55 TRP HA H 1 5.122 0.030 . 1 . . . . 55 TRP HA . 11213 1 601 . 1 1 55 55 TRP HB2 H 1 3.236 0.030 . 2 . . . . 55 TRP HB2 . 11213 1 602 . 1 1 55 55 TRP HB3 H 1 2.152 0.030 . 2 . . . . 55 TRP HB3 . 11213 1 603 . 1 1 55 55 TRP HD1 H 1 6.968 0.030 . 1 . . . . 55 TRP HD1 . 11213 1 604 . 1 1 55 55 TRP HE1 H 1 9.685 0.030 . 1 . . . . 55 TRP HE1 . 11213 1 605 . 1 1 55 55 TRP HE3 H 1 7.355 0.030 . 1 . . . . 55 TRP HE3 . 11213 1 606 . 1 1 55 55 TRP HH2 H 1 6.880 0.030 . 1 . . . . 55 TRP HH2 . 11213 1 607 . 1 1 55 55 TRP HZ2 H 1 6.967 0.030 . 1 . . . . 55 TRP HZ2 . 11213 1 608 . 1 1 55 55 TRP HZ3 H 1 6.844 0.030 . 1 . . . . 55 TRP HZ3 . 11213 1 609 . 1 1 55 55 TRP C C 13 172.736 0.300 . 1 . . . . 55 TRP C . 11213 1 610 . 1 1 55 55 TRP CA C 13 52.375 0.300 . 1 . . . . 55 TRP CA . 11213 1 611 . 1 1 55 55 TRP CB C 13 32.773 0.300 . 1 . . . . 55 TRP CB . 11213 1 612 . 1 1 55 55 TRP CD1 C 13 121.938 0.300 . 1 . . . . 55 TRP CD1 . 11213 1 613 . 1 1 55 55 TRP CE3 C 13 119.560 0.300 . 1 . . . . 55 TRP CE3 . 11213 1 614 . 1 1 55 55 TRP CH2 C 13 124.593 0.300 . 1 . . . . 55 TRP CH2 . 11213 1 615 . 1 1 55 55 TRP CZ2 C 13 115.101 0.300 . 1 . . . . 55 TRP CZ2 . 11213 1 616 . 1 1 55 55 TRP CZ3 C 13 120.910 0.300 . 1 . . . . 55 TRP CZ3 . 11213 1 617 . 1 1 55 55 TRP N N 15 124.901 0.300 . 1 . . . . 55 TRP N . 11213 1 618 . 1 1 55 55 TRP NE1 N 15 126.788 0.300 . 1 . . . . 55 TRP NE1 . 11213 1 619 . 1 1 56 56 GLU H H 1 8.520 0.030 . 1 . . . . 56 GLU H . 11213 1 620 . 1 1 56 56 GLU HA H 1 5.265 0.030 . 1 . . . . 56 GLU HA . 11213 1 621 . 1 1 56 56 GLU HB2 H 1 2.141 0.030 . 2 . . . . 56 GLU HB2 . 11213 1 622 . 1 1 56 56 GLU HB3 H 1 1.826 0.030 . 2 . . . . 56 GLU HB3 . 11213 1 623 . 1 1 56 56 GLU HG2 H 1 2.096 0.030 . 2 . . . . 56 GLU HG2 . 11213 1 624 . 1 1 56 56 GLU HG3 H 1 2.213 0.030 . 2 . . . . 56 GLU HG3 . 11213 1 625 . 1 1 56 56 GLU C C 13 177.059 0.300 . 1 . . . . 56 GLU C . 11213 1 626 . 1 1 56 56 GLU CA C 13 54.848 0.300 . 1 . . . . 56 GLU CA . 11213 1 627 . 1 1 56 56 GLU CB C 13 33.595 0.300 . 1 . . . . 56 GLU CB . 11213 1 628 . 1 1 56 56 GLU CG C 13 36.460 0.300 . 1 . . . . 56 GLU CG . 11213 1 629 . 1 1 56 56 GLU N N 15 118.601 0.300 . 1 . . . . 56 GLU N . 11213 1 630 . 1 1 57 57 GLY H H 1 9.769 0.030 . 1 . . . . 57 GLY H . 11213 1 631 . 1 1 57 57 GLY HA2 H 1 5.384 0.030 . 2 . . . . 57 GLY HA2 . 11213 1 632 . 1 1 57 57 GLY HA3 H 1 3.784 0.030 . 2 . . . . 57 GLY HA3 . 11213 1 633 . 1 1 57 57 GLY C C 13 169.745 0.300 . 1 . . . . 57 GLY C . 11213 1 634 . 1 1 57 57 GLY CA C 13 45.796 0.300 . 1 . . . . 57 GLY CA . 11213 1 635 . 1 1 57 57 GLY N N 15 113.701 0.300 . 1 . . . . 57 GLY N . 11213 1 636 . 1 1 58 58 LYS H H 1 9.143 0.030 . 1 . . . . 58 LYS H . 11213 1 637 . 1 1 58 58 LYS HA H 1 5.635 0.030 . 1 . . . . 58 LYS HA . 11213 1 638 . 1 1 58 58 LYS HB2 H 1 1.780 0.030 . 2 . . . . 58 LYS HB2 . 11213 1 639 . 1 1 58 58 LYS HB3 H 1 1.581 0.030 . 2 . . . . 58 LYS HB3 . 11213 1 640 . 1 1 58 58 LYS HD2 H 1 1.612 0.030 . 1 . . . . 58 LYS HD2 . 11213 1 641 . 1 1 58 58 LYS HD3 H 1 1.612 0.030 . 1 . . . . 58 LYS HD3 . 11213 1 642 . 1 1 58 58 LYS HE2 H 1 2.866 0.030 . 1 . . . . 58 LYS HE2 . 11213 1 643 . 1 1 58 58 LYS HE3 H 1 2.866 0.030 . 1 . . . . 58 LYS HE3 . 11213 1 644 . 1 1 58 58 LYS HG2 H 1 1.453 0.030 . 2 . . . . 58 LYS HG2 . 11213 1 645 . 1 1 58 58 LYS HG3 H 1 1.300 0.030 . 2 . . . . 58 LYS HG3 . 11213 1 646 . 1 1 58 58 LYS C C 13 175.181 0.300 . 1 . . . . 58 LYS C . 11213 1 647 . 1 1 58 58 LYS CA C 13 54.526 0.300 . 1 . . . . 58 LYS CA . 11213 1 648 . 1 1 58 58 LYS CB C 13 36.945 0.300 . 1 . . . . 58 LYS CB . 11213 1 649 . 1 1 58 58 LYS CD C 13 29.746 0.300 . 1 . . . . 58 LYS CD . 11213 1 650 . 1 1 58 58 LYS CE C 13 41.906 0.300 . 1 . . . . 58 LYS CE . 11213 1 651 . 1 1 58 58 LYS CG C 13 24.648 0.300 . 1 . . . . 58 LYS CG . 11213 1 652 . 1 1 58 58 LYS N N 15 117.989 0.300 . 1 . . . . 58 LYS N . 11213 1 653 . 1 1 59 59 LEU H H 1 8.837 0.030 . 1 . . . . 59 LEU H . 11213 1 654 . 1 1 59 59 LEU HA H 1 4.665 0.030 . 1 . . . . 59 LEU HA . 11213 1 655 . 1 1 59 59 LEU HB2 H 1 1.892 0.030 . 2 . . . . 59 LEU HB2 . 11213 1 656 . 1 1 59 59 LEU HB3 H 1 1.465 0.030 . 2 . . . . 59 LEU HB3 . 11213 1 657 . 1 1 59 59 LEU HD11 H 1 1.079 0.030 . 1 . . . . 59 LEU HD1 . 11213 1 658 . 1 1 59 59 LEU HD12 H 1 1.079 0.030 . 1 . . . . 59 LEU HD1 . 11213 1 659 . 1 1 59 59 LEU HD13 H 1 1.079 0.030 . 1 . . . . 59 LEU HD1 . 11213 1 660 . 1 1 59 59 LEU HD21 H 1 1.026 0.030 . 1 . . . . 59 LEU HD2 . 11213 1 661 . 1 1 59 59 LEU HD22 H 1 1.026 0.030 . 1 . . . . 59 LEU HD2 . 11213 1 662 . 1 1 59 59 LEU HD23 H 1 1.026 0.030 . 1 . . . . 59 LEU HD2 . 11213 1 663 . 1 1 59 59 LEU HG H 1 1.412 0.030 . 1 . . . . 59 LEU HG . 11213 1 664 . 1 1 59 59 LEU C C 13 175.500 0.300 . 1 . . . . 59 LEU C . 11213 1 665 . 1 1 59 59 LEU CA C 13 54.990 0.300 . 1 . . . . 59 LEU CA . 11213 1 666 . 1 1 59 59 LEU CB C 13 45.983 0.300 . 1 . . . . 59 LEU CB . 11213 1 667 . 1 1 59 59 LEU CD1 C 13 27.400 0.300 . 2 . . . . 59 LEU CD1 . 11213 1 668 . 1 1 59 59 LEU CD2 C 13 23.668 0.300 . 2 . . . . 59 LEU CD2 . 11213 1 669 . 1 1 59 59 LEU CG C 13 27.800 0.300 . 1 . . . . 59 LEU CG . 11213 1 670 . 1 1 59 59 LEU N N 15 124.807 0.300 . 1 . . . . 59 LEU N . 11213 1 671 . 1 1 60 60 ARG H H 1 9.786 0.030 . 1 . . . . 60 ARG H . 11213 1 672 . 1 1 60 60 ARG HA H 1 3.921 0.030 . 1 . . . . 60 ARG HA . 11213 1 673 . 1 1 60 60 ARG HB2 H 1 1.992 0.030 . 1 . . . . 60 ARG HB2 . 11213 1 674 . 1 1 60 60 ARG HB3 H 1 1.992 0.030 . 1 . . . . 60 ARG HB3 . 11213 1 675 . 1 1 60 60 ARG HD2 H 1 3.427 0.030 . 2 . . . . 60 ARG HD2 . 11213 1 676 . 1 1 60 60 ARG HD3 H 1 3.193 0.030 . 2 . . . . 60 ARG HD3 . 11213 1 677 . 1 1 60 60 ARG HG2 H 1 1.604 0.030 . 1 . . . . 60 ARG HG2 . 11213 1 678 . 1 1 60 60 ARG HG3 H 1 1.604 0.030 . 1 . . . . 60 ARG HG3 . 11213 1 679 . 1 1 60 60 ARG C C 13 176.121 0.300 . 1 . . . . 60 ARG C . 11213 1 680 . 1 1 60 60 ARG CA C 13 57.845 0.300 . 1 . . . . 60 ARG CA . 11213 1 681 . 1 1 60 60 ARG CB C 13 28.674 0.300 . 1 . . . . 60 ARG CB . 11213 1 682 . 1 1 60 60 ARG CD C 13 43.571 0.300 . 1 . . . . 60 ARG CD . 11213 1 683 . 1 1 60 60 ARG CG C 13 29.207 0.300 . 1 . . . . 60 ARG CG . 11213 1 684 . 1 1 60 60 ARG N N 15 127.043 0.300 . 1 . . . . 60 ARG N . 11213 1 685 . 1 1 61 61 GLY H H 1 8.760 0.030 . 1 . . . . 61 GLY H . 11213 1 686 . 1 1 61 61 GLY HA2 H 1 4.190 0.030 . 2 . . . . 61 GLY HA2 . 11213 1 687 . 1 1 61 61 GLY HA3 H 1 3.715 0.030 . 2 . . . . 61 GLY HA3 . 11213 1 688 . 1 1 61 61 GLY C C 13 173.987 0.300 . 1 . . . . 61 GLY C . 11213 1 689 . 1 1 61 61 GLY CA C 13 45.620 0.300 . 1 . . . . 61 GLY CA . 11213 1 690 . 1 1 61 61 GLY N N 15 105.263 0.300 . 1 . . . . 61 GLY N . 11213 1 691 . 1 1 62 62 GLN H H 1 8.119 0.030 . 1 . . . . 62 GLN H . 11213 1 692 . 1 1 62 62 GLN HA H 1 4.774 0.030 . 1 . . . . 62 GLN HA . 11213 1 693 . 1 1 62 62 GLN HB2 H 1 2.254 0.030 . 2 . . . . 62 GLN HB2 . 11213 1 694 . 1 1 62 62 GLN HB3 H 1 2.133 0.030 . 2 . . . . 62 GLN HB3 . 11213 1 695 . 1 1 62 62 GLN HE21 H 1 7.016 0.030 . 2 . . . . 62 GLN HE21 . 11213 1 696 . 1 1 62 62 GLN HE22 H 1 7.618 0.030 . 2 . . . . 62 GLN HE22 . 11213 1 697 . 1 1 62 62 GLN HG2 H 1 2.497 0.030 . 2 . . . . 62 GLN HG2 . 11213 1 698 . 1 1 62 62 GLN HG3 H 1 2.407 0.030 . 2 . . . . 62 GLN HG3 . 11213 1 699 . 1 1 62 62 GLN C C 13 174.750 0.300 . 1 . . . . 62 GLN C . 11213 1 700 . 1 1 62 62 GLN CA C 13 62.870 0.300 . 1 . . . . 62 GLN CA . 11213 1 701 . 1 1 62 62 GLN CB C 13 31.385 0.300 . 1 . . . . 62 GLN CB . 11213 1 702 . 1 1 62 62 GLN CG C 13 34.058 0.300 . 1 . . . . 62 GLN CG . 11213 1 703 . 1 1 62 62 GLN N N 15 121.269 0.300 . 1 . . . . 62 GLN N . 11213 1 704 . 1 1 62 62 GLN NE2 N 15 112.380 0.300 . 1 . . . . 62 GLN NE2 . 11213 1 705 . 1 1 63 63 THR H H 1 8.519 0.030 . 1 . . . . 63 THR H . 11213 1 706 . 1 1 63 63 THR HA H 1 5.626 0.030 . 1 . . . . 63 THR HA . 11213 1 707 . 1 1 63 63 THR HB H 1 4.099 0.030 . 1 . . . . 63 THR HB . 11213 1 708 . 1 1 63 63 THR HG21 H 1 1.209 0.030 . 1 . . . . 63 THR HG2 . 11213 1 709 . 1 1 63 63 THR HG22 H 1 1.209 0.030 . 1 . . . . 63 THR HG2 . 11213 1 710 . 1 1 63 63 THR HG23 H 1 1.209 0.030 . 1 . . . . 63 THR HG2 . 11213 1 711 . 1 1 63 63 THR C C 13 174.738 0.300 . 1 . . . . 63 THR C . 11213 1 712 . 1 1 63 63 THR CA C 13 60.549 0.300 . 1 . . . . 63 THR CA . 11213 1 713 . 1 1 63 63 THR CB C 13 71.140 0.300 . 1 . . . . 63 THR CB . 11213 1 714 . 1 1 63 63 THR CG2 C 13 21.393 0.300 . 1 . . . . 63 THR CG2 . 11213 1 715 . 1 1 63 63 THR N N 15 115.821 0.300 . 1 . . . . 63 THR N . 11213 1 716 . 1 1 64 64 GLY H H 1 9.068 0.030 . 1 . . . . 64 GLY H . 11213 1 717 . 1 1 64 64 GLY HA2 H 1 4.510 0.030 . 2 . . . . 64 GLY HA2 . 11213 1 718 . 1 1 64 64 GLY HA3 H 1 4.158 0.030 . 2 . . . . 64 GLY HA3 . 11213 1 719 . 1 1 64 64 GLY C C 13 172.049 0.300 . 1 . . . . 64 GLY C . 11213 1 720 . 1 1 64 64 GLY CA C 13 46.209 0.300 . 1 . . . . 64 GLY CA . 11213 1 721 . 1 1 64 64 GLY N N 15 111.872 0.300 . 1 . . . . 64 GLY N . 11213 1 722 . 1 1 65 65 ILE H H 1 8.633 0.030 . 1 . . . . 65 ILE H . 11213 1 723 . 1 1 65 65 ILE HA H 1 6.085 0.030 . 1 . . . . 65 ILE HA . 11213 1 724 . 1 1 65 65 ILE HB H 1 2.104 0.030 . 1 . . . . 65 ILE HB . 11213 1 725 . 1 1 65 65 ILE HD11 H 1 0.658 0.030 . 1 . . . . 65 ILE HD1 . 11213 1 726 . 1 1 65 65 ILE HD12 H 1 0.658 0.030 . 1 . . . . 65 ILE HD1 . 11213 1 727 . 1 1 65 65 ILE HD13 H 1 0.658 0.030 . 1 . . . . 65 ILE HD1 . 11213 1 728 . 1 1 65 65 ILE HG12 H 1 1.898 0.030 . 2 . . . . 65 ILE HG12 . 11213 1 729 . 1 1 65 65 ILE HG13 H 1 1.236 0.030 . 2 . . . . 65 ILE HG13 . 11213 1 730 . 1 1 65 65 ILE HG21 H 1 0.983 0.030 . 1 . . . . 65 ILE HG2 . 11213 1 731 . 1 1 65 65 ILE HG22 H 1 0.983 0.030 . 1 . . . . 65 ILE HG2 . 11213 1 732 . 1 1 65 65 ILE HG23 H 1 0.983 0.030 . 1 . . . . 65 ILE HG2 . 11213 1 733 . 1 1 65 65 ILE C C 13 176.375 0.300 . 1 . . . . 65 ILE C . 11213 1 734 . 1 1 65 65 ILE CA C 13 60.104 0.300 . 1 . . . . 65 ILE CA . 11213 1 735 . 1 1 65 65 ILE CB C 13 42.231 0.300 . 1 . . . . 65 ILE CB . 11213 1 736 . 1 1 65 65 ILE CD1 C 13 14.439 0.300 . 1 . . . . 65 ILE CD1 . 11213 1 737 . 1 1 65 65 ILE CG1 C 13 25.511 0.300 . 1 . . . . 65 ILE CG1 . 11213 1 738 . 1 1 65 65 ILE CG2 C 13 17.691 0.300 . 1 . . . . 65 ILE CG2 . 11213 1 739 . 1 1 65 65 ILE N N 15 113.285 0.300 . 1 . . . . 65 ILE N . 11213 1 740 . 1 1 66 66 PHE H H 1 8.693 0.030 . 1 . . . . 66 PHE H . 11213 1 741 . 1 1 66 66 PHE HA H 1 4.691 0.030 . 1 . . . . 66 PHE HA . 11213 1 742 . 1 1 66 66 PHE HB2 H 1 3.246 0.030 . 2 . . . . 66 PHE HB2 . 11213 1 743 . 1 1 66 66 PHE HB3 H 1 2.442 0.030 . 2 . . . . 66 PHE HB3 . 11213 1 744 . 1 1 66 66 PHE HD1 H 1 6.899 0.030 . 1 . . . . 66 PHE HD1 . 11213 1 745 . 1 1 66 66 PHE HD2 H 1 6.899 0.030 . 1 . . . . 66 PHE HD2 . 11213 1 746 . 1 1 66 66 PHE HE1 H 1 6.874 0.030 . 1 . . . . 66 PHE HE1 . 11213 1 747 . 1 1 66 66 PHE HE2 H 1 6.874 0.030 . 1 . . . . 66 PHE HE2 . 11213 1 748 . 1 1 66 66 PHE HZ H 1 7.119 0.030 . 1 . . . . 66 PHE HZ . 11213 1 749 . 1 1 66 66 PHE C C 13 170.076 0.300 . 1 . . . . 66 PHE C . 11213 1 750 . 1 1 66 66 PHE CA C 13 54.970 0.300 . 1 . . . . 66 PHE CA . 11213 1 751 . 1 1 66 66 PHE CB C 13 39.601 0.300 . 1 . . . . 66 PHE CB . 11213 1 752 . 1 1 66 66 PHE CD1 C 13 133.476 0.300 . 1 . . . . 66 PHE CD1 . 11213 1 753 . 1 1 66 66 PHE CD2 C 13 133.476 0.300 . 1 . . . . 66 PHE CD2 . 11213 1 754 . 1 1 66 66 PHE CE1 C 13 129.306 0.300 . 1 . . . . 66 PHE CE1 . 11213 1 755 . 1 1 66 66 PHE CE2 C 13 129.306 0.300 . 1 . . . . 66 PHE CE2 . 11213 1 756 . 1 1 66 66 PHE CZ C 13 127.779 0.300 . 1 . . . . 66 PHE CZ . 11213 1 757 . 1 1 66 66 PHE N N 15 115.846 0.300 . 1 . . . . 66 PHE N . 11213 1 758 . 1 1 67 67 PRO HA H 1 3.091 0.030 . 1 . . . . 67 PRO HA . 11213 1 759 . 1 1 67 67 PRO HB2 H 1 1.447 0.030 . 2 . . . . 67 PRO HB2 . 11213 1 760 . 1 1 67 67 PRO HB3 H 1 0.910 0.030 . 2 . . . . 67 PRO HB3 . 11213 1 761 . 1 1 67 67 PRO HD2 H 1 1.717 0.030 . 2 . . . . 67 PRO HD2 . 11213 1 762 . 1 1 67 67 PRO HD3 H 1 1.435 0.030 . 2 . . . . 67 PRO HD3 . 11213 1 763 . 1 1 67 67 PRO HG2 H 1 0.664 0.030 . 2 . . . . 67 PRO HG2 . 11213 1 764 . 1 1 67 67 PRO HG3 H 1 0.173 0.030 . 2 . . . . 67 PRO HG3 . 11213 1 765 . 1 1 67 67 PRO C C 13 177.633 0.300 . 1 . . . . 67 PRO C . 11213 1 766 . 1 1 67 67 PRO CA C 13 61.335 0.300 . 1 . . . . 67 PRO CA . 11213 1 767 . 1 1 67 67 PRO CB C 13 30.105 0.300 . 1 . . . . 67 PRO CB . 11213 1 768 . 1 1 67 67 PRO CD C 13 48.805 0.300 . 1 . . . . 67 PRO CD . 11213 1 769 . 1 1 67 67 PRO CG C 13 26.738 0.300 . 1 . . . . 67 PRO CG . 11213 1 770 . 1 1 68 68 ALA H H 1 7.904 0.030 . 1 . . . . 68 ALA H . 11213 1 771 . 1 1 68 68 ALA HA H 1 3.146 0.030 . 1 . . . . 68 ALA HA . 11213 1 772 . 1 1 68 68 ALA HB1 H 1 -0.497 0.030 . 1 . . . . 68 ALA HB . 11213 1 773 . 1 1 68 68 ALA HB2 H 1 -0.497 0.030 . 1 . . . . 68 ALA HB . 11213 1 774 . 1 1 68 68 ALA HB3 H 1 -0.497 0.030 . 1 . . . . 68 ALA HB . 11213 1 775 . 1 1 68 68 ALA C C 13 177.816 0.300 . 1 . . . . 68 ALA C . 11213 1 776 . 1 1 68 68 ALA CA C 13 54.361 0.300 . 1 . . . . 68 ALA CA . 11213 1 777 . 1 1 68 68 ALA CB C 13 15.653 0.300 . 1 . . . . 68 ALA CB . 11213 1 778 . 1 1 68 68 ALA N N 15 127.822 0.300 . 1 . . . . 68 ALA N . 11213 1 779 . 1 1 69 69 ASN H H 1 8.205 0.030 . 1 . . . . 69 ASN H . 11213 1 780 . 1 1 69 69 ASN HA H 1 4.495 0.030 . 1 . . . . 69 ASN HA . 11213 1 781 . 1 1 69 69 ASN HB2 H 1 2.873 0.030 . 2 . . . . 69 ASN HB2 . 11213 1 782 . 1 1 69 69 ASN HB3 H 1 2.559 0.030 . 2 . . . . 69 ASN HB3 . 11213 1 783 . 1 1 69 69 ASN HD21 H 1 7.439 0.030 . 2 . . . . 69 ASN HD21 . 11213 1 784 . 1 1 69 69 ASN HD22 H 1 6.580 0.030 . 2 . . . . 69 ASN HD22 . 11213 1 785 . 1 1 69 69 ASN C C 13 175.596 0.300 . 1 . . . . 69 ASN C . 11213 1 786 . 1 1 69 69 ASN CA C 13 53.820 0.300 . 1 . . . . 69 ASN CA . 11213 1 787 . 1 1 69 69 ASN CB C 13 35.872 0.300 . 1 . . . . 69 ASN CB . 11213 1 788 . 1 1 69 69 ASN N N 15 113.016 0.300 . 1 . . . . 69 ASN N . 11213 1 789 . 1 1 69 69 ASN ND2 N 15 111.392 0.300 . 1 . . . . 69 ASN ND2 . 11213 1 790 . 1 1 70 70 TYR H H 1 8.003 0.030 . 1 . . . . 70 TYR H . 11213 1 791 . 1 1 70 70 TYR HA H 1 4.675 0.030 . 1 . . . . 70 TYR HA . 11213 1 792 . 1 1 70 70 TYR HB2 H 1 3.569 0.030 . 2 . . . . 70 TYR HB2 . 11213 1 793 . 1 1 70 70 TYR HB3 H 1 3.419 0.030 . 2 . . . . 70 TYR HB3 . 11213 1 794 . 1 1 70 70 TYR HD1 H 1 7.089 0.030 . 1 . . . . 70 TYR HD1 . 11213 1 795 . 1 1 70 70 TYR HD2 H 1 7.089 0.030 . 1 . . . . 70 TYR HD2 . 11213 1 796 . 1 1 70 70 TYR HE1 H 1 6.946 0.030 . 1 . . . . 70 TYR HE1 . 11213 1 797 . 1 1 70 70 TYR HE2 H 1 6.946 0.030 . 1 . . . . 70 TYR HE2 . 11213 1 798 . 1 1 70 70 TYR C C 13 175.507 0.300 . 1 . . . . 70 TYR C . 11213 1 799 . 1 1 70 70 TYR CA C 13 58.628 0.300 . 1 . . . . 70 TYR CA . 11213 1 800 . 1 1 70 70 TYR CB C 13 38.234 0.300 . 1 . . . . 70 TYR CB . 11213 1 801 . 1 1 70 70 TYR CD1 C 13 131.695 0.300 . 1 . . . . 70 TYR CD1 . 11213 1 802 . 1 1 70 70 TYR CD2 C 13 131.695 0.300 . 1 . . . . 70 TYR CD2 . 11213 1 803 . 1 1 70 70 TYR CE1 C 13 118.145 0.300 . 1 . . . . 70 TYR CE1 . 11213 1 804 . 1 1 70 70 TYR CE2 C 13 118.145 0.300 . 1 . . . . 70 TYR CE2 . 11213 1 805 . 1 1 70 70 TYR N N 15 119.330 0.300 . 1 . . . . 70 TYR N . 11213 1 806 . 1 1 71 71 VAL H H 1 7.526 0.030 . 1 . . . . 71 VAL H . 11213 1 807 . 1 1 71 71 VAL HA H 1 5.252 0.030 . 1 . . . . 71 VAL HA . 11213 1 808 . 1 1 71 71 VAL HB H 1 1.828 0.030 . 1 . . . . 71 VAL HB . 11213 1 809 . 1 1 71 71 VAL HG11 H 1 0.357 0.030 . 1 . . . . 71 VAL HG1 . 11213 1 810 . 1 1 71 71 VAL HG12 H 1 0.357 0.030 . 1 . . . . 71 VAL HG1 . 11213 1 811 . 1 1 71 71 VAL HG13 H 1 0.357 0.030 . 1 . . . . 71 VAL HG1 . 11213 1 812 . 1 1 71 71 VAL HG21 H 1 0.976 0.030 . 1 . . . . 71 VAL HG2 . 11213 1 813 . 1 1 71 71 VAL HG22 H 1 0.976 0.030 . 1 . . . . 71 VAL HG2 . 11213 1 814 . 1 1 71 71 VAL HG23 H 1 0.976 0.030 . 1 . . . . 71 VAL HG2 . 11213 1 815 . 1 1 71 71 VAL C C 13 173.546 0.300 . 1 . . . . 71 VAL C . 11213 1 816 . 1 1 71 71 VAL CA C 13 58.409 0.300 . 1 . . . . 71 VAL CA . 11213 1 817 . 1 1 71 71 VAL CB C 13 35.379 0.300 . 1 . . . . 71 VAL CB . 11213 1 818 . 1 1 71 71 VAL CG1 C 13 21.139 0.300 . 2 . . . . 71 VAL CG1 . 11213 1 819 . 1 1 71 71 VAL CG2 C 13 18.200 0.300 . 2 . . . . 71 VAL CG2 . 11213 1 820 . 1 1 71 71 VAL N N 15 109.944 0.300 . 1 . . . . 71 VAL N . 11213 1 821 . 1 1 72 72 THR H H 1 8.639 0.030 . 1 . . . . 72 THR H . 11213 1 822 . 1 1 72 72 THR HA H 1 4.836 0.030 . 1 . . . . 72 THR HA . 11213 1 823 . 1 1 72 72 THR HB H 1 3.952 0.030 . 1 . . . . 72 THR HB . 11213 1 824 . 1 1 72 72 THR HG21 H 1 1.138 0.030 . 1 . . . . 72 THR HG2 . 11213 1 825 . 1 1 72 72 THR HG22 H 1 1.138 0.030 . 1 . . . . 72 THR HG2 . 11213 1 826 . 1 1 72 72 THR HG23 H 1 1.138 0.030 . 1 . . . . 72 THR HG2 . 11213 1 827 . 1 1 72 72 THR C C 13 173.092 0.300 . 1 . . . . 72 THR C . 11213 1 828 . 1 1 72 72 THR CA C 13 59.014 0.300 . 1 . . . . 72 THR CA . 11213 1 829 . 1 1 72 72 THR CB C 13 70.672 0.300 . 1 . . . . 72 THR CB . 11213 1 830 . 1 1 72 72 THR CG2 C 13 19.956 0.300 . 1 . . . . 72 THR CG2 . 11213 1 831 . 1 1 72 72 THR N N 15 112.528 0.300 . 1 . . . . 72 THR N . 11213 1 832 . 1 1 73 73 MET H H 1 8.719 0.030 . 1 . . . . 73 MET H . 11213 1 833 . 1 1 73 73 MET HA H 1 4.684 0.030 . 1 . . . . 73 MET HA . 11213 1 834 . 1 1 73 73 MET HB2 H 1 2.282 0.030 . 2 . . . . 73 MET HB2 . 11213 1 835 . 1 1 73 73 MET HB3 H 1 2.096 0.030 . 2 . . . . 73 MET HB3 . 11213 1 836 . 1 1 73 73 MET HE1 H 1 2.109 0.030 . 1 . . . . 73 MET HE . 11213 1 837 . 1 1 73 73 MET HE2 H 1 2.109 0.030 . 1 . . . . 73 MET HE . 11213 1 838 . 1 1 73 73 MET HE3 H 1 2.109 0.030 . 1 . . . . 73 MET HE . 11213 1 839 . 1 1 73 73 MET HG2 H 1 2.772 0.030 . 2 . . . . 73 MET HG2 . 11213 1 840 . 1 1 73 73 MET HG3 H 1 2.661 0.030 . 2 . . . . 73 MET HG3 . 11213 1 841 . 1 1 73 73 MET C C 13 176.246 0.300 . 1 . . . . 73 MET C . 11213 1 842 . 1 1 73 73 MET CA C 13 55.823 0.300 . 1 . . . . 73 MET CA . 11213 1 843 . 1 1 73 73 MET CB C 13 33.050 0.300 . 1 . . . . 73 MET CB . 11213 1 844 . 1 1 73 73 MET CE C 13 16.984 0.300 . 1 . . . . 73 MET CE . 11213 1 845 . 1 1 73 73 MET CG C 13 32.562 0.300 . 1 . . . . 73 MET CG . 11213 1 846 . 1 1 73 73 MET N N 15 124.339 0.300 . 1 . . . . 73 MET N . 11213 1 847 . 1 1 74 74 ASN H H 1 8.633 0.030 . 1 . . . . 74 ASN H . 11213 1 848 . 1 1 74 74 ASN HA H 1 4.807 0.030 . 1 . . . . 74 ASN HA . 11213 1 849 . 1 1 74 74 ASN HB2 H 1 2.863 0.030 . 2 . . . . 74 ASN HB2 . 11213 1 850 . 1 1 74 74 ASN HB3 H 1 2.754 0.030 . 2 . . . . 74 ASN HB3 . 11213 1 851 . 1 1 74 74 ASN HD21 H 1 6.744 0.030 . 2 . . . . 74 ASN HD21 . 11213 1 852 . 1 1 74 74 ASN HD22 H 1 7.598 0.030 . 2 . . . . 74 ASN HD22 . 11213 1 853 . 1 1 74 74 ASN C C 13 174.997 0.300 . 1 . . . . 74 ASN C . 11213 1 854 . 1 1 74 74 ASN CA C 13 53.232 0.300 . 1 . . . . 74 ASN CA . 11213 1 855 . 1 1 74 74 ASN CB C 13 38.816 0.300 . 1 . . . . 74 ASN CB . 11213 1 856 . 1 1 74 74 ASN N N 15 120.943 0.300 . 1 . . . . 74 ASN N . 11213 1 857 . 1 1 74 74 ASN ND2 N 15 111.976 0.300 . 1 . . . . 74 ASN ND2 . 11213 1 858 . 1 1 75 75 SER H H 1 8.455 0.030 . 1 . . . . 75 SER H . 11213 1 859 . 1 1 75 75 SER HA H 1 4.497 0.030 . 1 . . . . 75 SER HA . 11213 1 860 . 1 1 75 75 SER HB2 H 1 3.884 0.030 . 1 . . . . 75 SER HB2 . 11213 1 861 . 1 1 75 75 SER HB3 H 1 3.884 0.030 . 1 . . . . 75 SER HB3 . 11213 1 862 . 1 1 75 75 SER C C 13 174.478 0.300 . 1 . . . . 75 SER C . 11213 1 863 . 1 1 75 75 SER CA C 13 58.257 0.300 . 1 . . . . 75 SER CA . 11213 1 864 . 1 1 75 75 SER CB C 13 64.046 0.300 . 1 . . . . 75 SER CB . 11213 1 865 . 1 1 75 75 SER N N 15 116.945 0.300 . 1 . . . . 75 SER N . 11213 1 866 . 1 1 76 76 GLY H H 1 8.285 0.030 . 1 . . . . 76 GLY H . 11213 1 867 . 1 1 76 76 GLY HA2 H 1 4.143 0.030 . 2 . . . . 76 GLY HA2 . 11213 1 868 . 1 1 76 76 GLY HA3 H 1 4.105 0.030 . 2 . . . . 76 GLY HA3 . 11213 1 869 . 1 1 76 76 GLY C C 13 171.748 0.300 . 1 . . . . 76 GLY C . 11213 1 870 . 1 1 76 76 GLY CA C 13 44.668 0.300 . 1 . . . . 76 GLY CA . 11213 1 871 . 1 1 76 76 GLY N N 15 110.692 0.300 . 1 . . . . 76 GLY N . 11213 1 872 . 1 1 77 77 PRO HA H 1 4.473 0.030 . 1 . . . . 77 PRO HA . 11213 1 873 . 1 1 77 77 PRO HB2 H 1 2.278 0.030 . 2 . . . . 77 PRO HB2 . 11213 1 874 . 1 1 77 77 PRO HB3 H 1 1.966 0.030 . 2 . . . . 77 PRO HB3 . 11213 1 875 . 1 1 77 77 PRO HD2 H 1 3.602 0.030 . 1 . . . . 77 PRO HD2 . 11213 1 876 . 1 1 77 77 PRO HD3 H 1 3.602 0.030 . 1 . . . . 77 PRO HD3 . 11213 1 877 . 1 1 77 77 PRO HG2 H 1 2.024 0.030 . 1 . . . . 77 PRO HG2 . 11213 1 878 . 1 1 77 77 PRO HG3 H 1 2.024 0.030 . 1 . . . . 77 PRO HG3 . 11213 1 879 . 1 1 77 77 PRO C C 13 177.348 0.300 . 1 . . . . 77 PRO C . 11213 1 880 . 1 1 77 77 PRO CA C 13 63.160 0.300 . 1 . . . . 77 PRO CA . 11213 1 881 . 1 1 77 77 PRO CB C 13 32.128 0.300 . 1 . . . . 77 PRO CB . 11213 1 882 . 1 1 77 77 PRO CD C 13 49.719 0.300 . 1 . . . . 77 PRO CD . 11213 1 883 . 1 1 77 77 PRO CG C 13 26.867 0.300 . 1 . . . . 77 PRO CG . 11213 1 884 . 1 1 78 78 SER H H 1 8.525 0.030 . 1 . . . . 78 SER H . 11213 1 885 . 1 1 78 78 SER HA H 1 4.476 0.030 . 1 . . . . 78 SER HA . 11213 1 886 . 1 1 78 78 SER HB2 H 1 3.890 0.030 . 1 . . . . 78 SER HB2 . 11213 1 887 . 1 1 78 78 SER HB3 H 1 3.890 0.030 . 1 . . . . 78 SER HB3 . 11213 1 888 . 1 1 78 78 SER C C 13 174.644 0.300 . 1 . . . . 78 SER C . 11213 1 889 . 1 1 78 78 SER CA C 13 58.514 0.300 . 1 . . . . 78 SER CA . 11213 1 890 . 1 1 78 78 SER CB C 13 63.815 0.300 . 1 . . . . 78 SER CB . 11213 1 891 . 1 1 78 78 SER N N 15 116.425 0.300 . 1 . . . . 78 SER N . 11213 1 892 . 1 1 79 79 SER H H 1 8.341 0.030 . 1 . . . . 79 SER H . 11213 1 893 . 1 1 79 79 SER HA H 1 4.514 0.030 . 1 . . . . 79 SER HA . 11213 1 894 . 1 1 79 79 SER HB2 H 1 3.912 0.030 . 1 . . . . 79 SER HB2 . 11213 1 895 . 1 1 79 79 SER HB3 H 1 3.912 0.030 . 1 . . . . 79 SER HB3 . 11213 1 896 . 1 1 79 79 SER C C 13 173.928 0.300 . 1 . . . . 79 SER C . 11213 1 897 . 1 1 79 79 SER CA C 13 58.352 0.300 . 1 . . . . 79 SER CA . 11213 1 898 . 1 1 79 79 SER CB C 13 64.053 0.300 . 1 . . . . 79 SER CB . 11213 1 899 . 1 1 79 79 SER N N 15 117.855 0.300 . 1 . . . . 79 SER N . 11213 1 900 . 1 1 80 80 GLY H H 1 8.045 0.030 . 1 . . . . 80 GLY H . 11213 1 901 . 1 1 80 80 GLY HA2 H 1 3.798 0.030 . 1 . . . . 80 GLY HA2 . 11213 1 902 . 1 1 80 80 GLY HA3 H 1 3.798 0.030 . 1 . . . . 80 GLY HA3 . 11213 1 903 . 1 1 80 80 GLY C C 13 178.997 0.300 . 1 . . . . 80 GLY C . 11213 1 904 . 1 1 80 80 GLY CA C 13 46.252 0.300 . 1 . . . . 80 GLY CA . 11213 1 905 . 1 1 80 80 GLY N N 15 116.864 0.300 . 1 . . . . 80 GLY N . 11213 1 stop_ save_