data_11156 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11156 _Entry.Title ; Solution structure of the SH3 domain of human Nostrin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-15 _Entry.Accession_date 2010-04-15 _Entry.Last_release_date 2011-05-05 _Entry.Original_release_date 2011-05-05 _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 H. Abe . . . 11156 2 N. Tochio . . . 11156 3 K. Miyamoto . . . 11156 4 S. Koshiba . . . 11156 5 M. Inoue . . . 11156 6 T. Kigawa . . . 11156 7 S. Yokoyama . . . 11156 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)' . 11156 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11156 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 318 11156 '15N chemical shifts' 73 11156 '1H chemical shifts' 488 11156 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 . . 2011-05-05 2010-04-15 original author . 11156 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2YUN 'BMRB Entry Tracking System' 11156 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11156 _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 human Nostrin' _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 H. Abe . . . 11156 1 2 K. Miyamoto . . . 11156 1 3 N. Tochio . . . 11156 1 4 S. Koshiba . . . 11156 1 5 M. Inoue . . . 11156 1 6 T. Kigawa . . . 11156 1 7 S. Yokoyama . . . 11156 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11156 _Assembly.ID 1 _Assembly.Name Nostrin _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'SH3 domain' 1 $entity_1 A . yes native no no . . . 11156 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 2yun . . . . . . 11156 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11156 _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 ; GSSGSSGRLCKALYSFQARQ DDELNLEKGDIVIIHEKKEE GWWFGSLNGKKGHFPAAYVE ELPSNAGNTATKASGPSSG ; _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 79 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2YUN . "Solution Structure Of The Sh3 Domain Of Human Nostrin" . . . . . 100.00 79 100.00 100.00 3.16e-49 . . . . 11156 1 2 no REF XP_005573448 . "PREDICTED: nostrin isoform X4 [Macaca fascicularis]" . . . . . 56.96 476 97.78 97.78 2.37e-22 . . . . 11156 1 3 no REF XP_007963454 . "PREDICTED: nostrin isoform X3 [Chlorocebus sabaeus]" . . . . . 56.96 476 100.00 100.00 6.77e-23 . . . . 11156 1 4 no REF XP_010352711 . "PREDICTED: nostrin isoform X3 [Rhinopithecus roxellana]" . . . . . 56.96 476 100.00 100.00 6.77e-23 . . . . 11156 1 5 no REF XP_011902294 . "PREDICTED: nostrin isoform X3 [Cercocebus atys]" . . . . . 56.96 476 97.78 97.78 6.21e-22 . . . . 11156 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' . 11156 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 . 11156 1 2 . SER . 11156 1 3 . SER . 11156 1 4 . GLY . 11156 1 5 . SER . 11156 1 6 . SER . 11156 1 7 . GLY . 11156 1 8 . ARG . 11156 1 9 . LEU . 11156 1 10 . CYS . 11156 1 11 . LYS . 11156 1 12 . ALA . 11156 1 13 . LEU . 11156 1 14 . TYR . 11156 1 15 . SER . 11156 1 16 . PHE . 11156 1 17 . GLN . 11156 1 18 . ALA . 11156 1 19 . ARG . 11156 1 20 . GLN . 11156 1 21 . ASP . 11156 1 22 . ASP . 11156 1 23 . GLU . 11156 1 24 . LEU . 11156 1 25 . ASN . 11156 1 26 . LEU . 11156 1 27 . GLU . 11156 1 28 . LYS . 11156 1 29 . GLY . 11156 1 30 . ASP . 11156 1 31 . ILE . 11156 1 32 . VAL . 11156 1 33 . ILE . 11156 1 34 . ILE . 11156 1 35 . HIS . 11156 1 36 . GLU . 11156 1 37 . LYS . 11156 1 38 . LYS . 11156 1 39 . GLU . 11156 1 40 . GLU . 11156 1 41 . GLY . 11156 1 42 . TRP . 11156 1 43 . TRP . 11156 1 44 . PHE . 11156 1 45 . GLY . 11156 1 46 . SER . 11156 1 47 . LEU . 11156 1 48 . ASN . 11156 1 49 . GLY . 11156 1 50 . LYS . 11156 1 51 . LYS . 11156 1 52 . GLY . 11156 1 53 . HIS . 11156 1 54 . PHE . 11156 1 55 . PRO . 11156 1 56 . ALA . 11156 1 57 . ALA . 11156 1 58 . TYR . 11156 1 59 . VAL . 11156 1 60 . GLU . 11156 1 61 . GLU . 11156 1 62 . LEU . 11156 1 63 . PRO . 11156 1 64 . SER . 11156 1 65 . ASN . 11156 1 66 . ALA . 11156 1 67 . GLY . 11156 1 68 . ASN . 11156 1 69 . THR . 11156 1 70 . ALA . 11156 1 71 . THR . 11156 1 72 . LYS . 11156 1 73 . ALA . 11156 1 74 . SER . 11156 1 75 . GLY . 11156 1 76 . PRO . 11156 1 77 . SER . 11156 1 78 . SER . 11156 1 79 . GLY . 11156 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 11156 1 . SER 2 2 11156 1 . SER 3 3 11156 1 . GLY 4 4 11156 1 . SER 5 5 11156 1 . SER 6 6 11156 1 . GLY 7 7 11156 1 . ARG 8 8 11156 1 . LEU 9 9 11156 1 . CYS 10 10 11156 1 . LYS 11 11 11156 1 . ALA 12 12 11156 1 . LEU 13 13 11156 1 . TYR 14 14 11156 1 . SER 15 15 11156 1 . PHE 16 16 11156 1 . GLN 17 17 11156 1 . ALA 18 18 11156 1 . ARG 19 19 11156 1 . GLN 20 20 11156 1 . ASP 21 21 11156 1 . ASP 22 22 11156 1 . GLU 23 23 11156 1 . LEU 24 24 11156 1 . ASN 25 25 11156 1 . LEU 26 26 11156 1 . GLU 27 27 11156 1 . LYS 28 28 11156 1 . GLY 29 29 11156 1 . ASP 30 30 11156 1 . ILE 31 31 11156 1 . VAL 32 32 11156 1 . ILE 33 33 11156 1 . ILE 34 34 11156 1 . HIS 35 35 11156 1 . GLU 36 36 11156 1 . LYS 37 37 11156 1 . LYS 38 38 11156 1 . GLU 39 39 11156 1 . GLU 40 40 11156 1 . GLY 41 41 11156 1 . TRP 42 42 11156 1 . TRP 43 43 11156 1 . PHE 44 44 11156 1 . GLY 45 45 11156 1 . SER 46 46 11156 1 . LEU 47 47 11156 1 . ASN 48 48 11156 1 . GLY 49 49 11156 1 . LYS 50 50 11156 1 . LYS 51 51 11156 1 . GLY 52 52 11156 1 . HIS 53 53 11156 1 . PHE 54 54 11156 1 . PRO 55 55 11156 1 . ALA 56 56 11156 1 . ALA 57 57 11156 1 . TYR 58 58 11156 1 . VAL 59 59 11156 1 . GLU 60 60 11156 1 . GLU 61 61 11156 1 . LEU 62 62 11156 1 . PRO 63 63 11156 1 . SER 64 64 11156 1 . ASN 65 65 11156 1 . ALA 66 66 11156 1 . GLY 67 67 11156 1 . ASN 68 68 11156 1 . THR 69 69 11156 1 . ALA 70 70 11156 1 . THR 71 71 11156 1 . LYS 72 72 11156 1 . ALA 73 73 11156 1 . SER 74 74 11156 1 . GLY 75 75 11156 1 . PRO 76 76 11156 1 . SER 77 77 11156 1 . SER 78 78 11156 1 . GLY 79 79 11156 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 11156 _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 . . . . . . . . . . . . . . . . . . . . . 11156 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 11156 _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' . . . . . . . . . . . . . . . . . . . . . P050620-15 . . . . . . 11156 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11156 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.1mM {Protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3 {;'90%} H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SH3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.1 . . mM . . . . 11156 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11156 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11156 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11156 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11156 1 6 H2O . . . . . . solvent 90 . . % . . . . 11156 1 7 D2O . . . . . . solvent 10 . . % . . . . 11156 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 11156 _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 11156 1 pH 7.0 0.05 pH 11156 1 pressure 1 0.001 atm 11156 1 temperature 298 0.1 K 11156 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11156 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11156 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11156 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11156 _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.' . . 11156 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11156 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11156 _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.' . . 11156 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11156 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11156 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9747 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11156 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11156 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11156 _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.' . . 11156 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11156 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 11156 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11156 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 11156 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 11156 _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 . . . . . . . . . . . . . . . . 11156 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11156 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 11156 _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 . . . . . . . . . 11156 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11156 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11156 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 11156 _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 11156 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11156 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11156 1 2 $NMRPipe . . 11156 1 3 $NMRView . . 11156 1 4 $Kujira . . 11156 1 5 $CYANA . . 11156 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 4.437 0.030 . 1 . . . . 6 SER HA . 11156 1 2 . 1 1 6 6 SER HB2 H 1 3.885 0.030 . 2 . . . . 6 SER HB2 . 11156 1 3 . 1 1 6 6 SER C C 13 174.882 0.300 . 1 . . . . 6 SER C . 11156 1 4 . 1 1 6 6 SER CA C 13 58.524 0.300 . 1 . . . . 6 SER CA . 11156 1 5 . 1 1 6 6 SER CB C 13 63.856 0.300 . 1 . . . . 6 SER CB . 11156 1 6 . 1 1 7 7 GLY H H 1 8.427 0.030 . 1 . . . . 7 GLY H . 11156 1 7 . 1 1 7 7 GLY HA2 H 1 3.933 0.030 . 2 . . . . 7 GLY HA2 . 11156 1 8 . 1 1 7 7 GLY HA3 H 1 3.837 0.030 . 2 . . . . 7 GLY HA3 . 11156 1 9 . 1 1 7 7 GLY C C 13 173.533 0.300 . 1 . . . . 7 GLY C . 11156 1 10 . 1 1 7 7 GLY CA C 13 45.291 0.300 . 1 . . . . 7 GLY CA . 11156 1 11 . 1 1 7 7 GLY N N 15 110.791 0.300 . 1 . . . . 7 GLY N . 11156 1 12 . 1 1 8 8 ARG H H 1 8.157 0.030 . 1 . . . . 8 ARG H . 11156 1 13 . 1 1 8 8 ARG HA H 1 4.391 0.030 . 1 . . . . 8 ARG HA . 11156 1 14 . 1 1 8 8 ARG HB2 H 1 1.839 0.030 . 2 . . . . 8 ARG HB2 . 11156 1 15 . 1 1 8 8 ARG HB3 H 1 1.678 0.030 . 2 . . . . 8 ARG HB3 . 11156 1 16 . 1 1 8 8 ARG HD2 H 1 3.126 0.030 . 2 . . . . 8 ARG HD2 . 11156 1 17 . 1 1 8 8 ARG HD3 H 1 3.062 0.030 . 2 . . . . 8 ARG HD3 . 11156 1 18 . 1 1 8 8 ARG HG2 H 1 1.617 0.030 . 2 . . . . 8 ARG HG2 . 11156 1 19 . 1 1 8 8 ARG HG3 H 1 1.541 0.030 . 2 . . . . 8 ARG HG3 . 11156 1 20 . 1 1 8 8 ARG C C 13 174.394 0.300 . 1 . . . . 8 ARG C . 11156 1 21 . 1 1 8 8 ARG CA C 13 55.372 0.300 . 1 . . . . 8 ARG CA . 11156 1 22 . 1 1 8 8 ARG CB C 13 31.200 0.300 . 1 . . . . 8 ARG CB . 11156 1 23 . 1 1 8 8 ARG CD C 13 43.103 0.300 . 1 . . . . 8 ARG CD . 11156 1 24 . 1 1 8 8 ARG CG C 13 26.852 0.300 . 1 . . . . 8 ARG CG . 11156 1 25 . 1 1 8 8 ARG N N 15 120.910 0.300 . 1 . . . . 8 ARG N . 11156 1 26 . 1 1 9 9 LEU H H 1 8.535 0.030 . 1 . . . . 9 LEU H . 11156 1 27 . 1 1 9 9 LEU HA H 1 5.309 0.030 . 1 . . . . 9 LEU HA . 11156 1 28 . 1 1 9 9 LEU HB2 H 1 1.270 0.030 . 2 . . . . 9 LEU HB2 . 11156 1 29 . 1 1 9 9 LEU HB3 H 1 1.696 0.030 . 2 . . . . 9 LEU HB3 . 11156 1 30 . 1 1 9 9 LEU HD11 H 1 0.719 0.030 . 1 . . . . 9 LEU HD1 . 11156 1 31 . 1 1 9 9 LEU HD12 H 1 0.719 0.030 . 1 . . . . 9 LEU HD1 . 11156 1 32 . 1 1 9 9 LEU HD13 H 1 0.719 0.030 . 1 . . . . 9 LEU HD1 . 11156 1 33 . 1 1 9 9 LEU HD21 H 1 0.790 0.030 . 1 . . . . 9 LEU HD2 . 11156 1 34 . 1 1 9 9 LEU HD22 H 1 0.790 0.030 . 1 . . . . 9 LEU HD2 . 11156 1 35 . 1 1 9 9 LEU HD23 H 1 0.790 0.030 . 1 . . . . 9 LEU HD2 . 11156 1 36 . 1 1 9 9 LEU HG H 1 1.604 0.030 . 1 . . . . 9 LEU HG . 11156 1 37 . 1 1 9 9 LEU C C 13 177.383 0.300 . 1 . . . . 9 LEU C . 11156 1 38 . 1 1 9 9 LEU CA C 13 53.682 0.300 . 1 . . . . 9 LEU CA . 11156 1 39 . 1 1 9 9 LEU CB C 13 45.727 0.300 . 1 . . . . 9 LEU CB . 11156 1 40 . 1 1 9 9 LEU CD1 C 13 24.169 0.300 . 2 . . . . 9 LEU CD1 . 11156 1 41 . 1 1 9 9 LEU CD2 C 13 25.254 0.300 . 2 . . . . 9 LEU CD2 . 11156 1 42 . 1 1 9 9 LEU CG C 13 27.274 0.300 . 1 . . . . 9 LEU CG . 11156 1 43 . 1 1 9 9 LEU N N 15 121.341 0.300 . 1 . . . . 9 LEU N . 11156 1 44 . 1 1 10 10 CYS H H 1 9.046 0.030 . 1 . . . . 10 CYS H . 11156 1 45 . 1 1 10 10 CYS HA H 1 5.356 0.030 . 1 . . . . 10 CYS HA . 11156 1 46 . 1 1 10 10 CYS HB2 H 1 2.473 0.030 . 2 . . . . 10 CYS HB2 . 11156 1 47 . 1 1 10 10 CYS HB3 H 1 3.003 0.030 . 2 . . . . 10 CYS HB3 . 11156 1 48 . 1 1 10 10 CYS C C 13 170.187 0.300 . 1 . . . . 10 CYS C . 11156 1 49 . 1 1 10 10 CYS CA C 13 55.725 0.300 . 1 . . . . 10 CYS CA . 11156 1 50 . 1 1 10 10 CYS CB C 13 33.094 0.300 . 1 . . . . 10 CYS CB . 11156 1 51 . 1 1 10 10 CYS N N 15 114.802 0.300 . 1 . . . . 10 CYS N . 11156 1 52 . 1 1 11 11 LYS H H 1 8.820 0.030 . 1 . . . . 11 LYS H . 11156 1 53 . 1 1 11 11 LYS HA H 1 5.471 0.030 . 1 . . . . 11 LYS HA . 11156 1 54 . 1 1 11 11 LYS HB2 H 1 1.404 0.030 . 2 . . . . 11 LYS HB2 . 11156 1 55 . 1 1 11 11 LYS HB3 H 1 1.671 0.030 . 2 . . . . 11 LYS HB3 . 11156 1 56 . 1 1 11 11 LYS HD2 H 1 1.574 0.030 . 1 . . . . 11 LYS HD2 . 11156 1 57 . 1 1 11 11 LYS HD3 H 1 1.574 0.030 . 1 . . . . 11 LYS HD3 . 11156 1 58 . 1 1 11 11 LYS HE2 H 1 2.825 0.030 . 2 . . . . 11 LYS HE2 . 11156 1 59 . 1 1 11 11 LYS HE3 H 1 2.765 0.030 . 2 . . . . 11 LYS HE3 . 11156 1 60 . 1 1 11 11 LYS HG2 H 1 1.157 0.030 . 1 . . . . 11 LYS HG2 . 11156 1 61 . 1 1 11 11 LYS HG3 H 1 1.157 0.030 . 1 . . . . 11 LYS HG3 . 11156 1 62 . 1 1 11 11 LYS C C 13 176.175 0.300 . 1 . . . . 11 LYS C . 11156 1 63 . 1 1 11 11 LYS CA C 13 53.212 0.300 . 1 . . . . 11 LYS CA . 11156 1 64 . 1 1 11 11 LYS CB C 13 36.531 0.300 . 1 . . . . 11 LYS CB . 11156 1 65 . 1 1 11 11 LYS CD C 13 29.586 0.300 . 1 . . . . 11 LYS CD . 11156 1 66 . 1 1 11 11 LYS CE C 13 41.727 0.300 . 1 . . . . 11 LYS CE . 11156 1 67 . 1 1 11 11 LYS CG C 13 24.267 0.300 . 1 . . . . 11 LYS CG . 11156 1 68 . 1 1 11 11 LYS N N 15 120.227 0.300 . 1 . . . . 11 LYS N . 11156 1 69 . 1 1 12 12 ALA H H 1 9.230 0.030 . 1 . . . . 12 ALA H . 11156 1 70 . 1 1 12 12 ALA HA H 1 4.525 0.030 . 1 . . . . 12 ALA HA . 11156 1 71 . 1 1 12 12 ALA HB1 H 1 1.405 0.030 . 1 . . . . 12 ALA HB . 11156 1 72 . 1 1 12 12 ALA HB2 H 1 1.405 0.030 . 1 . . . . 12 ALA HB . 11156 1 73 . 1 1 12 12 ALA HB3 H 1 1.405 0.030 . 1 . . . . 12 ALA HB . 11156 1 74 . 1 1 12 12 ALA C C 13 178.158 0.300 . 1 . . . . 12 ALA C . 11156 1 75 . 1 1 12 12 ALA CA C 13 52.752 0.300 . 1 . . . . 12 ALA CA . 11156 1 76 . 1 1 12 12 ALA CB C 13 18.588 0.300 . 1 . . . . 12 ALA CB . 11156 1 77 . 1 1 12 12 ALA N N 15 127.306 0.300 . 1 . . . . 12 ALA N . 11156 1 78 . 1 1 13 13 LEU H H 1 9.525 0.030 . 1 . . . . 13 LEU H . 11156 1 79 . 1 1 13 13 LEU HA H 1 3.886 0.030 . 1 . . . . 13 LEU HA . 11156 1 80 . 1 1 13 13 LEU HB2 H 1 0.971 0.030 . 2 . . . . 13 LEU HB2 . 11156 1 81 . 1 1 13 13 LEU HB3 H 1 0.614 0.030 . 2 . . . . 13 LEU HB3 . 11156 1 82 . 1 1 13 13 LEU HD11 H 1 0.633 0.030 . 1 . . . . 13 LEU HD1 . 11156 1 83 . 1 1 13 13 LEU HD12 H 1 0.633 0.030 . 1 . . . . 13 LEU HD1 . 11156 1 84 . 1 1 13 13 LEU HD13 H 1 0.633 0.030 . 1 . . . . 13 LEU HD1 . 11156 1 85 . 1 1 13 13 LEU HD21 H 1 0.604 0.030 . 1 . . . . 13 LEU HD2 . 11156 1 86 . 1 1 13 13 LEU HD22 H 1 0.604 0.030 . 1 . . . . 13 LEU HD2 . 11156 1 87 . 1 1 13 13 LEU HD23 H 1 0.604 0.030 . 1 . . . . 13 LEU HD2 . 11156 1 88 . 1 1 13 13 LEU HG H 1 1.300 0.030 . 1 . . . . 13 LEU HG . 11156 1 89 . 1 1 13 13 LEU C C 13 175.171 0.300 . 1 . . . . 13 LEU C . 11156 1 90 . 1 1 13 13 LEU CA C 13 55.505 0.300 . 1 . . . . 13 LEU CA . 11156 1 91 . 1 1 13 13 LEU CB C 13 43.436 0.300 . 1 . . . . 13 LEU CB . 11156 1 92 . 1 1 13 13 LEU CD1 C 13 25.291 0.300 . 2 . . . . 13 LEU CD1 . 11156 1 93 . 1 1 13 13 LEU CD2 C 13 22.012 0.300 . 2 . . . . 13 LEU CD2 . 11156 1 94 . 1 1 13 13 LEU CG C 13 26.775 0.300 . 1 . . . . 13 LEU CG . 11156 1 95 . 1 1 13 13 LEU N N 15 128.131 0.300 . 1 . . . . 13 LEU N . 11156 1 96 . 1 1 14 14 TYR H H 1 7.202 0.030 . 1 . . . . 14 TYR H . 11156 1 97 . 1 1 14 14 TYR HA H 1 4.677 0.030 . 1 . . . . 14 TYR HA . 11156 1 98 . 1 1 14 14 TYR HB2 H 1 2.311 0.030 . 2 . . . . 14 TYR HB2 . 11156 1 99 . 1 1 14 14 TYR HB3 H 1 3.153 0.030 . 2 . . . . 14 TYR HB3 . 11156 1 100 . 1 1 14 14 TYR HD1 H 1 6.724 0.030 . 1 . . . . 14 TYR HD1 . 11156 1 101 . 1 1 14 14 TYR HD2 H 1 6.724 0.030 . 1 . . . . 14 TYR HD2 . 11156 1 102 . 1 1 14 14 TYR HE1 H 1 6.584 0.030 . 1 . . . . 14 TYR HE1 . 11156 1 103 . 1 1 14 14 TYR HE2 H 1 6.584 0.030 . 1 . . . . 14 TYR HE2 . 11156 1 104 . 1 1 14 14 TYR C C 13 173.643 0.300 . 1 . . . . 14 TYR C . 11156 1 105 . 1 1 14 14 TYR CA C 13 53.972 0.300 . 1 . . . . 14 TYR CA . 11156 1 106 . 1 1 14 14 TYR CB C 13 42.163 0.300 . 1 . . . . 14 TYR CB . 11156 1 107 . 1 1 14 14 TYR CD1 C 13 133.722 0.300 . 1 . . . . 14 TYR CD1 . 11156 1 108 . 1 1 14 14 TYR CD2 C 13 133.722 0.300 . 1 . . . . 14 TYR CD2 . 11156 1 109 . 1 1 14 14 TYR CE1 C 13 117.635 0.300 . 1 . . . . 14 TYR CE1 . 11156 1 110 . 1 1 14 14 TYR CE2 C 13 117.635 0.300 . 1 . . . . 14 TYR CE2 . 11156 1 111 . 1 1 14 14 TYR N N 15 113.417 0.300 . 1 . . . . 14 TYR N . 11156 1 112 . 1 1 15 15 SER H H 1 8.349 0.030 . 1 . . . . 15 SER H . 11156 1 113 . 1 1 15 15 SER HA H 1 4.358 0.030 . 1 . . . . 15 SER HA . 11156 1 114 . 1 1 15 15 SER HB2 H 1 4.009 0.030 . 2 . . . . 15 SER HB2 . 11156 1 115 . 1 1 15 15 SER HB3 H 1 3.916 0.030 . 2 . . . . 15 SER HB3 . 11156 1 116 . 1 1 15 15 SER C C 13 173.524 0.300 . 1 . . . . 15 SER C . 11156 1 117 . 1 1 15 15 SER CA C 13 58.275 0.300 . 1 . . . . 15 SER CA . 11156 1 118 . 1 1 15 15 SER CB C 13 63.736 0.300 . 1 . . . . 15 SER CB . 11156 1 119 . 1 1 15 15 SER N N 15 113.422 0.300 . 1 . . . . 15 SER N . 11156 1 120 . 1 1 16 16 PHE H H 1 9.052 0.030 . 1 . . . . 16 PHE H . 11156 1 121 . 1 1 16 16 PHE HA H 1 4.845 0.030 . 1 . . . . 16 PHE HA . 11156 1 122 . 1 1 16 16 PHE HB2 H 1 2.566 0.030 . 2 . . . . 16 PHE HB2 . 11156 1 123 . 1 1 16 16 PHE HB3 H 1 2.947 0.030 . 2 . . . . 16 PHE HB3 . 11156 1 124 . 1 1 16 16 PHE HD1 H 1 7.208 0.030 . 1 . . . . 16 PHE HD1 . 11156 1 125 . 1 1 16 16 PHE HD2 H 1 7.208 0.030 . 1 . . . . 16 PHE HD2 . 11156 1 126 . 1 1 16 16 PHE HE1 H 1 7.346 0.030 . 1 . . . . 16 PHE HE1 . 11156 1 127 . 1 1 16 16 PHE HE2 H 1 7.346 0.030 . 1 . . . . 16 PHE HE2 . 11156 1 128 . 1 1 16 16 PHE HZ H 1 7.511 0.030 . 1 . . . . 16 PHE HZ . 11156 1 129 . 1 1 16 16 PHE C C 13 173.210 0.300 . 1 . . . . 16 PHE C . 11156 1 130 . 1 1 16 16 PHE CA C 13 57.196 0.300 . 1 . . . . 16 PHE CA . 11156 1 131 . 1 1 16 16 PHE CB C 13 43.040 0.300 . 1 . . . . 16 PHE CB . 11156 1 132 . 1 1 16 16 PHE CD1 C 13 132.472 0.300 . 1 . . . . 16 PHE CD1 . 11156 1 133 . 1 1 16 16 PHE CD2 C 13 132.472 0.300 . 1 . . . . 16 PHE CD2 . 11156 1 134 . 1 1 16 16 PHE CE1 C 13 131.321 0.300 . 1 . . . . 16 PHE CE1 . 11156 1 135 . 1 1 16 16 PHE CE2 C 13 131.321 0.300 . 1 . . . . 16 PHE CE2 . 11156 1 136 . 1 1 16 16 PHE CZ C 13 130.094 0.300 . 1 . . . . 16 PHE CZ . 11156 1 137 . 1 1 16 16 PHE N N 15 123.507 0.300 . 1 . . . . 16 PHE N . 11156 1 138 . 1 1 17 17 GLN H H 1 7.822 0.030 . 1 . . . . 17 GLN H . 11156 1 139 . 1 1 17 17 GLN HA H 1 4.450 0.030 . 1 . . . . 17 GLN HA . 11156 1 140 . 1 1 17 17 GLN HB2 H 1 1.750 0.030 . 1 . . . . 17 GLN HB2 . 11156 1 141 . 1 1 17 17 GLN HB3 H 1 1.750 0.030 . 1 . . . . 17 GLN HB3 . 11156 1 142 . 1 1 17 17 GLN HE21 H 1 6.763 0.030 . 2 . . . . 17 GLN HE21 . 11156 1 143 . 1 1 17 17 GLN HE22 H 1 7.570 0.030 . 2 . . . . 17 GLN HE22 . 11156 1 144 . 1 1 17 17 GLN HG2 H 1 2.188 0.030 . 2 . . . . 17 GLN HG2 . 11156 1 145 . 1 1 17 17 GLN HG3 H 1 2.137 0.030 . 2 . . . . 17 GLN HG3 . 11156 1 146 . 1 1 17 17 GLN C C 13 173.223 0.300 . 1 . . . . 17 GLN C . 11156 1 147 . 1 1 17 17 GLN CA C 13 53.835 0.300 . 1 . . . . 17 GLN CA . 11156 1 148 . 1 1 17 17 GLN CB C 13 29.096 0.300 . 1 . . . . 17 GLN CB . 11156 1 149 . 1 1 17 17 GLN CG C 13 33.867 0.300 . 1 . . . . 17 GLN CG . 11156 1 150 . 1 1 17 17 GLN N N 15 128.052 0.300 . 1 . . . . 17 GLN N . 11156 1 151 . 1 1 17 17 GLN NE2 N 15 112.806 0.300 . 1 . . . . 17 GLN NE2 . 11156 1 152 . 1 1 18 18 ALA H H 1 8.123 0.030 . 1 . . . . 18 ALA H . 11156 1 153 . 1 1 18 18 ALA HA H 1 3.954 0.030 . 1 . . . . 18 ALA HA . 11156 1 154 . 1 1 18 18 ALA HB1 H 1 1.253 0.030 . 1 . . . . 18 ALA HB . 11156 1 155 . 1 1 18 18 ALA HB2 H 1 1.253 0.030 . 1 . . . . 18 ALA HB . 11156 1 156 . 1 1 18 18 ALA HB3 H 1 1.253 0.030 . 1 . . . . 18 ALA HB . 11156 1 157 . 1 1 18 18 ALA C C 13 178.656 0.300 . 1 . . . . 18 ALA C . 11156 1 158 . 1 1 18 18 ALA CA C 13 52.639 0.300 . 1 . . . . 18 ALA CA . 11156 1 159 . 1 1 18 18 ALA CB C 13 20.427 0.300 . 1 . . . . 18 ALA CB . 11156 1 160 . 1 1 18 18 ALA N N 15 127.390 0.300 . 1 . . . . 18 ALA N . 11156 1 161 . 1 1 19 19 ARG H H 1 9.298 0.030 . 1 . . . . 19 ARG H . 11156 1 162 . 1 1 19 19 ARG HA H 1 4.330 0.030 . 1 . . . . 19 ARG HA . 11156 1 163 . 1 1 19 19 ARG HB2 H 1 1.846 0.030 . 1 . . . . 19 ARG HB2 . 11156 1 164 . 1 1 19 19 ARG HB3 H 1 1.846 0.030 . 1 . . . . 19 ARG HB3 . 11156 1 165 . 1 1 19 19 ARG HD2 H 1 3.126 0.030 . 1 . . . . 19 ARG HD2 . 11156 1 166 . 1 1 19 19 ARG HD3 H 1 3.126 0.030 . 1 . . . . 19 ARG HD3 . 11156 1 167 . 1 1 19 19 ARG HG2 H 1 1.613 0.030 . 1 . . . . 19 ARG HG2 . 11156 1 168 . 1 1 19 19 ARG HG3 H 1 1.613 0.030 . 1 . . . . 19 ARG HG3 . 11156 1 169 . 1 1 19 19 ARG C C 13 176.016 0.300 . 1 . . . . 19 ARG C . 11156 1 170 . 1 1 19 19 ARG CA C 13 56.494 0.300 . 1 . . . . 19 ARG CA . 11156 1 171 . 1 1 19 19 ARG CB C 13 31.127 0.300 . 1 . . . . 19 ARG CB . 11156 1 172 . 1 1 19 19 ARG CD C 13 43.088 0.300 . 1 . . . . 19 ARG CD . 11156 1 173 . 1 1 19 19 ARG CG C 13 26.908 0.300 . 1 . . . . 19 ARG CG . 11156 1 174 . 1 1 19 19 ARG N N 15 121.271 0.300 . 1 . . . . 19 ARG N . 11156 1 175 . 1 1 20 20 GLN H H 1 7.481 0.030 . 1 . . . . 20 GLN H . 11156 1 176 . 1 1 20 20 GLN HA H 1 4.634 0.030 . 1 . . . . 20 GLN HA . 11156 1 177 . 1 1 20 20 GLN HB2 H 1 1.846 0.030 . 2 . . . . 20 GLN HB2 . 11156 1 178 . 1 1 20 20 GLN HB3 H 1 2.286 0.030 . 2 . . . . 20 GLN HB3 . 11156 1 179 . 1 1 20 20 GLN HE21 H 1 6.642 0.030 . 2 . . . . 20 GLN HE21 . 11156 1 180 . 1 1 20 20 GLN HE22 H 1 7.931 0.030 . 2 . . . . 20 GLN HE22 . 11156 1 181 . 1 1 20 20 GLN HG2 H 1 2.293 0.030 . 2 . . . . 20 GLN HG2 . 11156 1 182 . 1 1 20 20 GLN HG3 H 1 2.162 0.030 . 2 . . . . 20 GLN HG3 . 11156 1 183 . 1 1 20 20 GLN C C 13 176.827 0.300 . 1 . . . . 20 GLN C . 11156 1 184 . 1 1 20 20 GLN CA C 13 53.767 0.300 . 1 . . . . 20 GLN CA . 11156 1 185 . 1 1 20 20 GLN CB C 13 31.626 0.300 . 1 . . . . 20 GLN CB . 11156 1 186 . 1 1 20 20 GLN CG C 13 32.876 0.300 . 1 . . . . 20 GLN CG . 11156 1 187 . 1 1 20 20 GLN N N 15 114.634 0.300 . 1 . . . . 20 GLN N . 11156 1 188 . 1 1 20 20 GLN NE2 N 15 113.333 0.300 . 1 . . . . 20 GLN NE2 . 11156 1 189 . 1 1 21 21 ASP H H 1 8.769 0.030 . 1 . . . . 21 ASP H . 11156 1 190 . 1 1 21 21 ASP HA H 1 4.430 0.030 . 1 . . . . 21 ASP HA . 11156 1 191 . 1 1 21 21 ASP HB2 H 1 2.707 0.030 . 1 . . . . 21 ASP HB2 . 11156 1 192 . 1 1 21 21 ASP HB3 H 1 2.707 0.030 . 1 . . . . 21 ASP HB3 . 11156 1 193 . 1 1 21 21 ASP C C 13 176.109 0.300 . 1 . . . . 21 ASP C . 11156 1 194 . 1 1 21 21 ASP CA C 13 56.954 0.300 . 1 . . . . 21 ASP CA . 11156 1 195 . 1 1 21 21 ASP CB C 13 40.686 0.300 . 1 . . . . 21 ASP CB . 11156 1 196 . 1 1 21 21 ASP N N 15 119.765 0.300 . 1 . . . . 21 ASP N . 11156 1 197 . 1 1 22 22 ASP H H 1 8.176 0.030 . 1 . . . . 22 ASP H . 11156 1 198 . 1 1 22 22 ASP HA H 1 4.926 0.030 . 1 . . . . 22 ASP HA . 11156 1 199 . 1 1 22 22 ASP HB2 H 1 2.715 0.030 . 2 . . . . 22 ASP HB2 . 11156 1 200 . 1 1 22 22 ASP HB3 H 1 3.136 0.030 . 2 . . . . 22 ASP HB3 . 11156 1 201 . 1 1 22 22 ASP C C 13 176.568 0.300 . 1 . . . . 22 ASP C . 11156 1 202 . 1 1 22 22 ASP CA C 13 53.374 0.300 . 1 . . . . 22 ASP CA . 11156 1 203 . 1 1 22 22 ASP CB C 13 40.098 0.300 . 1 . . . . 22 ASP CB . 11156 1 204 . 1 1 22 22 ASP N N 15 115.685 0.300 . 1 . . . . 22 ASP N . 11156 1 205 . 1 1 23 23 GLU H H 1 7.742 0.030 . 1 . . . . 23 GLU H . 11156 1 206 . 1 1 23 23 GLU HA H 1 5.305 0.030 . 1 . . . . 23 GLU HA . 11156 1 207 . 1 1 23 23 GLU HB2 H 1 2.380 0.030 . 1 . . . . 23 GLU HB2 . 11156 1 208 . 1 1 23 23 GLU HB3 H 1 2.380 0.030 . 1 . . . . 23 GLU HB3 . 11156 1 209 . 1 1 23 23 GLU HG2 H 1 2.391 0.030 . 1 . . . . 23 GLU HG2 . 11156 1 210 . 1 1 23 23 GLU HG3 H 1 2.391 0.030 . 1 . . . . 23 GLU HG3 . 11156 1 211 . 1 1 23 23 GLU C C 13 175.138 0.300 . 1 . . . . 23 GLU C . 11156 1 212 . 1 1 23 23 GLU CA C 13 55.055 0.300 . 1 . . . . 23 GLU CA . 11156 1 213 . 1 1 23 23 GLU CB C 13 32.956 0.300 . 1 . . . . 23 GLU CB . 11156 1 214 . 1 1 23 23 GLU CG C 13 36.900 0.300 . 1 . . . . 23 GLU CG . 11156 1 215 . 1 1 23 23 GLU N N 15 120.532 0.300 . 1 . . . . 23 GLU N . 11156 1 216 . 1 1 24 24 LEU H H 1 8.757 0.030 . 1 . . . . 24 LEU H . 11156 1 217 . 1 1 24 24 LEU HA H 1 4.407 0.030 . 1 . . . . 24 LEU HA . 11156 1 218 . 1 1 24 24 LEU HB2 H 1 0.993 0.030 . 2 . . . . 24 LEU HB2 . 11156 1 219 . 1 1 24 24 LEU HB3 H 1 1.522 0.030 . 2 . . . . 24 LEU HB3 . 11156 1 220 . 1 1 24 24 LEU HD11 H 1 0.596 0.030 . 1 . . . . 24 LEU HD1 . 11156 1 221 . 1 1 24 24 LEU HD12 H 1 0.596 0.030 . 1 . . . . 24 LEU HD1 . 11156 1 222 . 1 1 24 24 LEU HD13 H 1 0.596 0.030 . 1 . . . . 24 LEU HD1 . 11156 1 223 . 1 1 24 24 LEU HD21 H 1 0.554 0.030 . 1 . . . . 24 LEU HD2 . 11156 1 224 . 1 1 24 24 LEU HD22 H 1 0.554 0.030 . 1 . . . . 24 LEU HD2 . 11156 1 225 . 1 1 24 24 LEU HD23 H 1 0.554 0.030 . 1 . . . . 24 LEU HD2 . 11156 1 226 . 1 1 24 24 LEU HG H 1 1.294 0.030 . 1 . . . . 24 LEU HG . 11156 1 227 . 1 1 24 24 LEU C C 13 174.520 0.300 . 1 . . . . 24 LEU C . 11156 1 228 . 1 1 24 24 LEU CA C 13 53.321 0.300 . 1 . . . . 24 LEU CA . 11156 1 229 . 1 1 24 24 LEU CB C 13 45.020 0.300 . 1 . . . . 24 LEU CB . 11156 1 230 . 1 1 24 24 LEU CD1 C 13 24.787 0.300 . 2 . . . . 24 LEU CD1 . 11156 1 231 . 1 1 24 24 LEU CD2 C 13 24.109 0.300 . 2 . . . . 24 LEU CD2 . 11156 1 232 . 1 1 24 24 LEU CG C 13 26.337 0.300 . 1 . . . . 24 LEU CG . 11156 1 233 . 1 1 24 24 LEU N N 15 123.138 0.300 . 1 . . . . 24 LEU N . 11156 1 234 . 1 1 25 25 ASN H H 1 7.871 0.030 . 1 . . . . 25 ASN H . 11156 1 235 . 1 1 25 25 ASN HA H 1 4.851 0.030 . 1 . . . . 25 ASN HA . 11156 1 236 . 1 1 25 25 ASN HB2 H 1 2.667 0.030 . 2 . . . . 25 ASN HB2 . 11156 1 237 . 1 1 25 25 ASN HB3 H 1 2.591 0.030 . 2 . . . . 25 ASN HB3 . 11156 1 238 . 1 1 25 25 ASN HD21 H 1 7.044 0.030 . 2 . . . . 25 ASN HD21 . 11156 1 239 . 1 1 25 25 ASN HD22 H 1 7.730 0.030 . 2 . . . . 25 ASN HD22 . 11156 1 240 . 1 1 25 25 ASN C C 13 175.734 0.300 . 1 . . . . 25 ASN C . 11156 1 241 . 1 1 25 25 ASN CA C 13 53.354 0.300 . 1 . . . . 25 ASN CA . 11156 1 242 . 1 1 25 25 ASN CB C 13 40.239 0.300 . 1 . . . . 25 ASN CB . 11156 1 243 . 1 1 25 25 ASN N N 15 118.742 0.300 . 1 . . . . 25 ASN N . 11156 1 244 . 1 1 25 25 ASN ND2 N 15 116.263 0.300 . 1 . . . . 25 ASN ND2 . 11156 1 245 . 1 1 26 26 LEU H H 1 9.195 0.030 . 1 . . . . 26 LEU H . 11156 1 246 . 1 1 26 26 LEU HA H 1 4.815 0.030 . 1 . . . . 26 LEU HA . 11156 1 247 . 1 1 26 26 LEU HB2 H 1 1.137 0.030 . 2 . . . . 26 LEU HB2 . 11156 1 248 . 1 1 26 26 LEU HB3 H 1 1.873 0.030 . 2 . . . . 26 LEU HB3 . 11156 1 249 . 1 1 26 26 LEU HD11 H 1 0.511 0.030 . 1 . . . . 26 LEU HD1 . 11156 1 250 . 1 1 26 26 LEU HD12 H 1 0.511 0.030 . 1 . . . . 26 LEU HD1 . 11156 1 251 . 1 1 26 26 LEU HD13 H 1 0.511 0.030 . 1 . . . . 26 LEU HD1 . 11156 1 252 . 1 1 26 26 LEU HD21 H 1 0.429 0.030 . 1 . . . . 26 LEU HD2 . 11156 1 253 . 1 1 26 26 LEU HD22 H 1 0.429 0.030 . 1 . . . . 26 LEU HD2 . 11156 1 254 . 1 1 26 26 LEU HD23 H 1 0.429 0.030 . 1 . . . . 26 LEU HD2 . 11156 1 255 . 1 1 26 26 LEU HG H 1 1.768 0.030 . 1 . . . . 26 LEU HG . 11156 1 256 . 1 1 26 26 LEU C C 13 176.608 0.300 . 1 . . . . 26 LEU C . 11156 1 257 . 1 1 26 26 LEU CA C 13 53.646 0.300 . 1 . . . . 26 LEU CA . 11156 1 258 . 1 1 26 26 LEU CB C 13 45.787 0.300 . 1 . . . . 26 LEU CB . 11156 1 259 . 1 1 26 26 LEU CD1 C 13 24.888 0.300 . 2 . . . . 26 LEU CD1 . 11156 1 260 . 1 1 26 26 LEU CD2 C 13 24.305 0.300 . 2 . . . . 26 LEU CD2 . 11156 1 261 . 1 1 26 26 LEU CG C 13 26.151 0.300 . 1 . . . . 26 LEU CG . 11156 1 262 . 1 1 26 26 LEU N N 15 120.725 0.300 . 1 . . . . 26 LEU N . 11156 1 263 . 1 1 27 27 GLU H H 1 9.215 0.030 . 1 . . . . 27 GLU H . 11156 1 264 . 1 1 27 27 GLU HA H 1 4.529 0.030 . 1 . . . . 27 GLU HA . 11156 1 265 . 1 1 27 27 GLU HB2 H 1 1.864 0.030 . 2 . . . . 27 GLU HB2 . 11156 1 266 . 1 1 27 27 GLU HB3 H 1 1.768 0.030 . 2 . . . . 27 GLU HB3 . 11156 1 267 . 1 1 27 27 GLU HG2 H 1 2.263 0.030 . 2 . . . . 27 GLU HG2 . 11156 1 268 . 1 1 27 27 GLU HG3 H 1 2.148 0.030 . 2 . . . . 27 GLU HG3 . 11156 1 269 . 1 1 27 27 GLU C C 13 175.349 0.300 . 1 . . . . 27 GLU C . 11156 1 270 . 1 1 27 27 GLU CA C 13 53.681 0.300 . 1 . . . . 27 GLU CA . 11156 1 271 . 1 1 27 27 GLU CB C 13 31.164 0.300 . 1 . . . . 27 GLU CB . 11156 1 272 . 1 1 27 27 GLU CG C 13 35.958 0.300 . 1 . . . . 27 GLU CG . 11156 1 273 . 1 1 27 27 GLU N N 15 124.103 0.300 . 1 . . . . 27 GLU N . 11156 1 274 . 1 1 28 28 LYS H H 1 8.270 0.030 . 1 . . . . 28 LYS H . 11156 1 275 . 1 1 28 28 LYS HA H 1 3.178 0.030 . 1 . . . . 28 LYS HA . 11156 1 276 . 1 1 28 28 LYS HB2 H 1 1.575 0.030 . 2 . . . . 28 LYS HB2 . 11156 1 277 . 1 1 28 28 LYS HB3 H 1 1.473 0.030 . 2 . . . . 28 LYS HB3 . 11156 1 278 . 1 1 28 28 LYS HD2 H 1 1.590 0.030 . 1 . . . . 28 LYS HD2 . 11156 1 279 . 1 1 28 28 LYS HD3 H 1 1.590 0.030 . 1 . . . . 28 LYS HD3 . 11156 1 280 . 1 1 28 28 LYS HE2 H 1 2.910 0.030 . 1 . . . . 28 LYS HE2 . 11156 1 281 . 1 1 28 28 LYS HE3 H 1 2.910 0.030 . 1 . . . . 28 LYS HE3 . 11156 1 282 . 1 1 28 28 LYS HG2 H 1 1.145 0.030 . 2 . . . . 28 LYS HG2 . 11156 1 283 . 1 1 28 28 LYS HG3 H 1 1.059 0.030 . 2 . . . . 28 LYS HG3 . 11156 1 284 . 1 1 28 28 LYS C C 13 177.291 0.300 . 1 . . . . 28 LYS C . 11156 1 285 . 1 1 28 28 LYS CA C 13 58.967 0.300 . 1 . . . . 28 LYS CA . 11156 1 286 . 1 1 28 28 LYS CB C 13 32.149 0.300 . 1 . . . . 28 LYS CB . 11156 1 287 . 1 1 28 28 LYS CD C 13 29.574 0.300 . 1 . . . . 28 LYS CD . 11156 1 288 . 1 1 28 28 LYS CE C 13 41.898 0.300 . 1 . . . . 28 LYS CE . 11156 1 289 . 1 1 28 28 LYS CG C 13 24.647 0.300 . 1 . . . . 28 LYS CG . 11156 1 290 . 1 1 28 28 LYS N N 15 122.422 0.300 . 1 . . . . 28 LYS N . 11156 1 291 . 1 1 29 29 GLY H H 1 8.921 0.030 . 1 . . . . 29 GLY H . 11156 1 292 . 1 1 29 29 GLY HA2 H 1 3.307 0.030 . 2 . . . . 29 GLY HA2 . 11156 1 293 . 1 1 29 29 GLY HA3 H 1 4.410 0.030 . 2 . . . . 29 GLY HA3 . 11156 1 294 . 1 1 29 29 GLY C C 13 174.117 0.300 . 1 . . . . 29 GLY C . 11156 1 295 . 1 1 29 29 GLY CA C 13 44.739 0.300 . 1 . . . . 29 GLY CA . 11156 1 296 . 1 1 29 29 GLY N N 15 115.210 0.300 . 1 . . . . 29 GLY N . 11156 1 297 . 1 1 30 30 ASP H H 1 8.271 0.030 . 1 . . . . 30 ASP H . 11156 1 298 . 1 1 30 30 ASP HA H 1 4.382 0.030 . 1 . . . . 30 ASP HA . 11156 1 299 . 1 1 30 30 ASP HB2 H 1 2.312 0.030 . 2 . . . . 30 ASP HB2 . 11156 1 300 . 1 1 30 30 ASP HB3 H 1 2.535 0.030 . 2 . . . . 30 ASP HB3 . 11156 1 301 . 1 1 30 30 ASP C C 13 175.104 0.300 . 1 . . . . 30 ASP C . 11156 1 302 . 1 1 30 30 ASP CA C 13 56.031 0.300 . 1 . . . . 30 ASP CA . 11156 1 303 . 1 1 30 30 ASP CB C 13 42.194 0.300 . 1 . . . . 30 ASP CB . 11156 1 304 . 1 1 30 30 ASP N N 15 122.415 0.300 . 1 . . . . 30 ASP N . 11156 1 305 . 1 1 31 31 ILE H H 1 8.168 0.030 . 1 . . . . 31 ILE H . 11156 1 306 . 1 1 31 31 ILE HA H 1 4.943 0.030 . 1 . . . . 31 ILE HA . 11156 1 307 . 1 1 31 31 ILE HB H 1 1.854 0.030 . 1 . . . . 31 ILE HB . 11156 1 308 . 1 1 31 31 ILE HD11 H 1 0.746 0.030 . 1 . . . . 31 ILE HD1 . 11156 1 309 . 1 1 31 31 ILE HD12 H 1 0.746 0.030 . 1 . . . . 31 ILE HD1 . 11156 1 310 . 1 1 31 31 ILE HD13 H 1 0.746 0.030 . 1 . . . . 31 ILE HD1 . 11156 1 311 . 1 1 31 31 ILE HG12 H 1 1.564 0.030 . 2 . . . . 31 ILE HG12 . 11156 1 312 . 1 1 31 31 ILE HG13 H 1 1.259 0.030 . 2 . . . . 31 ILE HG13 . 11156 1 313 . 1 1 31 31 ILE HG21 H 1 0.799 0.030 . 1 . . . . 31 ILE HG2 . 11156 1 314 . 1 1 31 31 ILE HG22 H 1 0.799 0.030 . 1 . . . . 31 ILE HG2 . 11156 1 315 . 1 1 31 31 ILE HG23 H 1 0.799 0.030 . 1 . . . . 31 ILE HG2 . 11156 1 316 . 1 1 31 31 ILE C C 13 175.015 0.300 . 1 . . . . 31 ILE C . 11156 1 317 . 1 1 31 31 ILE CA C 13 58.947 0.300 . 1 . . . . 31 ILE CA . 11156 1 318 . 1 1 31 31 ILE CB C 13 37.106 0.300 . 1 . . . . 31 ILE CB . 11156 1 319 . 1 1 31 31 ILE CD1 C 13 11.124 0.300 . 1 . . . . 31 ILE CD1 . 11156 1 320 . 1 1 31 31 ILE CG1 C 13 26.775 0.300 . 1 . . . . 31 ILE CG1 . 11156 1 321 . 1 1 31 31 ILE CG2 C 13 18.006 0.300 . 1 . . . . 31 ILE CG2 . 11156 1 322 . 1 1 31 31 ILE N N 15 121.027 0.300 . 1 . . . . 31 ILE N . 11156 1 323 . 1 1 32 32 VAL H H 1 8.801 0.030 . 1 . . . . 32 VAL H . 11156 1 324 . 1 1 32 32 VAL HA H 1 4.085 0.030 . 1 . . . . 32 VAL HA . 11156 1 325 . 1 1 32 32 VAL HB H 1 1.617 0.030 . 1 . . . . 32 VAL HB . 11156 1 326 . 1 1 32 32 VAL HG11 H 1 0.241 0.030 . 1 . . . . 32 VAL HG1 . 11156 1 327 . 1 1 32 32 VAL HG12 H 1 0.241 0.030 . 1 . . . . 32 VAL HG1 . 11156 1 328 . 1 1 32 32 VAL HG13 H 1 0.241 0.030 . 1 . . . . 32 VAL HG1 . 11156 1 329 . 1 1 32 32 VAL HG21 H 1 0.323 0.030 . 1 . . . . 32 VAL HG2 . 11156 1 330 . 1 1 32 32 VAL HG22 H 1 0.323 0.030 . 1 . . . . 32 VAL HG2 . 11156 1 331 . 1 1 32 32 VAL HG23 H 1 0.323 0.030 . 1 . . . . 32 VAL HG2 . 11156 1 332 . 1 1 32 32 VAL C C 13 175.124 0.300 . 1 . . . . 32 VAL C . 11156 1 333 . 1 1 32 32 VAL CA C 13 60.652 0.300 . 1 . . . . 32 VAL CA . 11156 1 334 . 1 1 32 32 VAL CB C 13 34.535 0.300 . 1 . . . . 32 VAL CB . 11156 1 335 . 1 1 32 32 VAL CG1 C 13 21.156 0.300 . 2 . . . . 32 VAL CG1 . 11156 1 336 . 1 1 32 32 VAL CG2 C 13 21.815 0.300 . 2 . . . . 32 VAL CG2 . 11156 1 337 . 1 1 32 32 VAL N N 15 129.070 0.300 . 1 . . . . 32 VAL N . 11156 1 338 . 1 1 33 33 ILE H H 1 8.189 0.030 . 1 . . . . 33 ILE H . 11156 1 339 . 1 1 33 33 ILE HA H 1 4.300 0.030 . 1 . . . . 33 ILE HA . 11156 1 340 . 1 1 33 33 ILE HB H 1 1.682 0.030 . 1 . . . . 33 ILE HB . 11156 1 341 . 1 1 33 33 ILE HD11 H 1 0.806 0.030 . 1 . . . . 33 ILE HD1 . 11156 1 342 . 1 1 33 33 ILE HD12 H 1 0.806 0.030 . 1 . . . . 33 ILE HD1 . 11156 1 343 . 1 1 33 33 ILE HD13 H 1 0.806 0.030 . 1 . . . . 33 ILE HD1 . 11156 1 344 . 1 1 33 33 ILE HG12 H 1 1.607 0.030 . 2 . . . . 33 ILE HG12 . 11156 1 345 . 1 1 33 33 ILE HG13 H 1 0.891 0.030 . 2 . . . . 33 ILE HG13 . 11156 1 346 . 1 1 33 33 ILE HG21 H 1 0.630 0.030 . 1 . . . . 33 ILE HG2 . 11156 1 347 . 1 1 33 33 ILE HG22 H 1 0.630 0.030 . 1 . . . . 33 ILE HG2 . 11156 1 348 . 1 1 33 33 ILE HG23 H 1 0.630 0.030 . 1 . . . . 33 ILE HG2 . 11156 1 349 . 1 1 33 33 ILE C C 13 176.120 0.300 . 1 . . . . 33 ILE C . 11156 1 350 . 1 1 33 33 ILE CA C 13 60.709 0.300 . 1 . . . . 33 ILE CA . 11156 1 351 . 1 1 33 33 ILE CB C 13 39.089 0.300 . 1 . . . . 33 ILE CB . 11156 1 352 . 1 1 33 33 ILE CD1 C 13 13.815 0.300 . 1 . . . . 33 ILE CD1 . 11156 1 353 . 1 1 33 33 ILE CG1 C 13 27.726 0.300 . 1 . . . . 33 ILE CG1 . 11156 1 354 . 1 1 33 33 ILE CG2 C 13 17.563 0.300 . 1 . . . . 33 ILE CG2 . 11156 1 355 . 1 1 33 33 ILE N N 15 125.774 0.300 . 1 . . . . 33 ILE N . 11156 1 356 . 1 1 34 34 ILE H H 1 8.995 0.030 . 1 . . . . 34 ILE H . 11156 1 357 . 1 1 34 34 ILE HA H 1 3.751 0.030 . 1 . . . . 34 ILE HA . 11156 1 358 . 1 1 34 34 ILE HB H 1 1.591 0.030 . 1 . . . . 34 ILE HB . 11156 1 359 . 1 1 34 34 ILE HD11 H 1 0.567 0.030 . 1 . . . . 34 ILE HD1 . 11156 1 360 . 1 1 34 34 ILE HD12 H 1 0.567 0.030 . 1 . . . . 34 ILE HD1 . 11156 1 361 . 1 1 34 34 ILE HD13 H 1 0.567 0.030 . 1 . . . . 34 ILE HD1 . 11156 1 362 . 1 1 34 34 ILE HG12 H 1 1.746 0.030 . 2 . . . . 34 ILE HG12 . 11156 1 363 . 1 1 34 34 ILE HG13 H 1 0.941 0.030 . 2 . . . . 34 ILE HG13 . 11156 1 364 . 1 1 34 34 ILE HG21 H 1 0.394 0.030 . 1 . . . . 34 ILE HG2 . 11156 1 365 . 1 1 34 34 ILE HG22 H 1 0.394 0.030 . 1 . . . . 34 ILE HG2 . 11156 1 366 . 1 1 34 34 ILE HG23 H 1 0.394 0.030 . 1 . . . . 34 ILE HG2 . 11156 1 367 . 1 1 34 34 ILE C C 13 175.959 0.300 . 1 . . . . 34 ILE C . 11156 1 368 . 1 1 34 34 ILE CA C 13 63.006 0.300 . 1 . . . . 34 ILE CA . 11156 1 369 . 1 1 34 34 ILE CB C 13 38.994 0.300 . 1 . . . . 34 ILE CB . 11156 1 370 . 1 1 34 34 ILE CD1 C 13 14.954 0.300 . 1 . . . . 34 ILE CD1 . 11156 1 371 . 1 1 34 34 ILE CG1 C 13 29.364 0.300 . 1 . . . . 34 ILE CG1 . 11156 1 372 . 1 1 34 34 ILE CG2 C 13 17.770 0.300 . 1 . . . . 34 ILE CG2 . 11156 1 373 . 1 1 34 34 ILE N N 15 127.231 0.300 . 1 . . . . 34 ILE N . 11156 1 374 . 1 1 35 35 HIS H H 1 9.508 0.030 . 1 . . . . 35 HIS H . 11156 1 375 . 1 1 35 35 HIS HA H 1 4.973 0.030 . 1 . . . . 35 HIS HA . 11156 1 376 . 1 1 35 35 HIS HB2 H 1 3.330 0.030 . 2 . . . . 35 HIS HB2 . 11156 1 377 . 1 1 35 35 HIS HB3 H 1 3.014 0.030 . 2 . . . . 35 HIS HB3 . 11156 1 378 . 1 1 35 35 HIS HD2 H 1 6.421 0.030 . 1 . . . . 35 HIS HD2 . 11156 1 379 . 1 1 35 35 HIS HE1 H 1 7.616 0.030 . 1 . . . . 35 HIS HE1 . 11156 1 380 . 1 1 35 35 HIS C C 13 175.728 0.300 . 1 . . . . 35 HIS C . 11156 1 381 . 1 1 35 35 HIS CA C 13 57.118 0.300 . 1 . . . . 35 HIS CA . 11156 1 382 . 1 1 35 35 HIS CB C 13 31.544 0.300 . 1 . . . . 35 HIS CB . 11156 1 383 . 1 1 35 35 HIS CD2 C 13 122.927 0.300 . 1 . . . . 35 HIS CD2 . 11156 1 384 . 1 1 35 35 HIS CE1 C 13 139.068 0.300 . 1 . . . . 35 HIS CE1 . 11156 1 385 . 1 1 35 35 HIS N N 15 126.179 0.300 . 1 . . . . 35 HIS N . 11156 1 386 . 1 1 36 36 GLU H H 1 8.332 0.030 . 1 . . . . 36 GLU H . 11156 1 387 . 1 1 36 36 GLU HA H 1 4.465 0.030 . 1 . . . . 36 GLU HA . 11156 1 388 . 1 1 36 36 GLU HB2 H 1 1.999 0.030 . 1 . . . . 36 GLU HB2 . 11156 1 389 . 1 1 36 36 GLU HB3 H 1 1.999 0.030 . 1 . . . . 36 GLU HB3 . 11156 1 390 . 1 1 36 36 GLU HG2 H 1 2.176 0.030 . 2 . . . . 36 GLU HG2 . 11156 1 391 . 1 1 36 36 GLU HG3 H 1 2.085 0.030 . 2 . . . . 36 GLU HG3 . 11156 1 392 . 1 1 36 36 GLU C C 13 174.150 0.300 . 1 . . . . 36 GLU C . 11156 1 393 . 1 1 36 36 GLU CA C 13 55.991 0.300 . 1 . . . . 36 GLU CA . 11156 1 394 . 1 1 36 36 GLU CB C 13 34.239 0.300 . 1 . . . . 36 GLU CB . 11156 1 395 . 1 1 36 36 GLU CG C 13 36.120 0.300 . 1 . . . . 36 GLU CG . 11156 1 396 . 1 1 36 36 GLU N N 15 116.491 0.300 . 1 . . . . 36 GLU N . 11156 1 397 . 1 1 37 37 LYS H H 1 8.774 0.030 . 1 . . . . 37 LYS H . 11156 1 398 . 1 1 37 37 LYS HA H 1 4.182 0.030 . 1 . . . . 37 LYS HA . 11156 1 399 . 1 1 37 37 LYS HB2 H 1 1.271 0.030 . 2 . . . . 37 LYS HB2 . 11156 1 400 . 1 1 37 37 LYS HB3 H 1 1.449 0.030 . 2 . . . . 37 LYS HB3 . 11156 1 401 . 1 1 37 37 LYS HD2 H 1 1.007 0.030 . 2 . . . . 37 LYS HD2 . 11156 1 402 . 1 1 37 37 LYS HD3 H 1 1.159 0.030 . 2 . . . . 37 LYS HD3 . 11156 1 403 . 1 1 37 37 LYS HE2 H 1 2.093 0.030 . 1 . . . . 37 LYS HE2 . 11156 1 404 . 1 1 37 37 LYS HE3 H 1 2.093 0.030 . 1 . . . . 37 LYS HE3 . 11156 1 405 . 1 1 37 37 LYS HG2 H 1 0.527 0.030 . 2 . . . . 37 LYS HG2 . 11156 1 406 . 1 1 37 37 LYS HG3 H 1 -0.867 0.030 . 2 . . . . 37 LYS HG3 . 11156 1 407 . 1 1 37 37 LYS C C 13 175.778 0.300 . 1 . . . . 37 LYS C . 11156 1 408 . 1 1 37 37 LYS CA C 13 55.914 0.300 . 1 . . . . 37 LYS CA . 11156 1 409 . 1 1 37 37 LYS CB C 13 32.640 0.300 . 1 . . . . 37 LYS CB . 11156 1 410 . 1 1 37 37 LYS CD C 13 30.188 0.300 . 1 . . . . 37 LYS CD . 11156 1 411 . 1 1 37 37 LYS CE C 13 41.369 0.300 . 1 . . . . 37 LYS CE . 11156 1 412 . 1 1 37 37 LYS CG C 13 23.939 0.300 . 1 . . . . 37 LYS CG . 11156 1 413 . 1 1 37 37 LYS N N 15 125.870 0.300 . 1 . . . . 37 LYS N . 11156 1 414 . 1 1 38 38 LYS H H 1 7.769 0.030 . 1 . . . . 38 LYS H . 11156 1 415 . 1 1 38 38 LYS HA H 1 4.491 0.030 . 1 . . . . 38 LYS HA . 11156 1 416 . 1 1 38 38 LYS HB2 H 1 2.107 0.030 . 1 . . . . 38 LYS HB2 . 11156 1 417 . 1 1 38 38 LYS HB3 H 1 2.107 0.030 . 1 . . . . 38 LYS HB3 . 11156 1 418 . 1 1 38 38 LYS HD2 H 1 1.674 0.030 . 1 . . . . 38 LYS HD2 . 11156 1 419 . 1 1 38 38 LYS HD3 H 1 1.674 0.030 . 1 . . . . 38 LYS HD3 . 11156 1 420 . 1 1 38 38 LYS HE2 H 1 2.668 0.030 . 2 . . . . 38 LYS HE2 . 11156 1 421 . 1 1 38 38 LYS HE3 H 1 2.850 0.030 . 2 . . . . 38 LYS HE3 . 11156 1 422 . 1 1 38 38 LYS HG2 H 1 1.479 0.030 . 2 . . . . 38 LYS HG2 . 11156 1 423 . 1 1 38 38 LYS HG3 H 1 1.368 0.030 . 2 . . . . 38 LYS HG3 . 11156 1 424 . 1 1 38 38 LYS C C 13 176.262 0.300 . 1 . . . . 38 LYS C . 11156 1 425 . 1 1 38 38 LYS CA C 13 56.647 0.300 . 1 . . . . 38 LYS CA . 11156 1 426 . 1 1 38 38 LYS CB C 13 33.270 0.300 . 1 . . . . 38 LYS CB . 11156 1 427 . 1 1 38 38 LYS CD C 13 29.365 0.300 . 1 . . . . 38 LYS CD . 11156 1 428 . 1 1 38 38 LYS CE C 13 41.751 0.300 . 1 . . . . 38 LYS CE . 11156 1 429 . 1 1 38 38 LYS CG C 13 25.703 0.300 . 1 . . . . 38 LYS CG . 11156 1 430 . 1 1 38 38 LYS N N 15 123.539 0.300 . 1 . . . . 38 LYS N . 11156 1 431 . 1 1 39 39 GLU H H 1 8.428 0.030 . 1 . . . . 39 GLU H . 11156 1 432 . 1 1 39 39 GLU HA H 1 4.450 0.030 . 1 . . . . 39 GLU HA . 11156 1 433 . 1 1 39 39 GLU HB2 H 1 2.248 0.030 . 2 . . . . 39 GLU HB2 . 11156 1 434 . 1 1 39 39 GLU HB3 H 1 2.044 0.030 . 2 . . . . 39 GLU HB3 . 11156 1 435 . 1 1 39 39 GLU HG2 H 1 2.319 0.030 . 2 . . . . 39 GLU HG2 . 11156 1 436 . 1 1 39 39 GLU HG3 H 1 1.746 0.030 . 2 . . . . 39 GLU HG3 . 11156 1 437 . 1 1 39 39 GLU C C 13 176.648 0.300 . 1 . . . . 39 GLU C . 11156 1 438 . 1 1 39 39 GLU CA C 13 56.015 0.300 . 1 . . . . 39 GLU CA . 11156 1 439 . 1 1 39 39 GLU CB C 13 31.354 0.300 . 1 . . . . 39 GLU CB . 11156 1 440 . 1 1 39 39 GLU CG C 13 36.345 0.300 . 1 . . . . 39 GLU CG . 11156 1 441 . 1 1 40 40 GLU H H 1 8.921 0.030 . 1 . . . . 40 GLU H . 11156 1 442 . 1 1 40 40 GLU HA H 1 4.104 0.030 . 1 . . . . 40 GLU HA . 11156 1 443 . 1 1 40 40 GLU HB2 H 1 2.194 0.030 . 2 . . . . 40 GLU HB2 . 11156 1 444 . 1 1 40 40 GLU HB3 H 1 2.100 0.030 . 2 . . . . 40 GLU HB3 . 11156 1 445 . 1 1 40 40 GLU HG2 H 1 2.258 0.030 . 1 . . . . 40 GLU HG2 . 11156 1 446 . 1 1 40 40 GLU HG3 H 1 2.258 0.030 . 1 . . . . 40 GLU HG3 . 11156 1 447 . 1 1 40 40 GLU C C 13 177.149 0.300 . 1 . . . . 40 GLU C . 11156 1 448 . 1 1 40 40 GLU CA C 13 57.865 0.300 . 1 . . . . 40 GLU CA . 11156 1 449 . 1 1 40 40 GLU CB C 13 28.494 0.300 . 1 . . . . 40 GLU CB . 11156 1 450 . 1 1 40 40 GLU CG C 13 36.483 0.300 . 1 . . . . 40 GLU CG . 11156 1 451 . 1 1 40 40 GLU N N 15 117.421 0.300 . 1 . . . . 40 GLU N . 11156 1 452 . 1 1 41 41 GLY H H 1 8.540 0.030 . 1 . . . . 41 GLY H . 11156 1 453 . 1 1 41 41 GLY HA2 H 1 3.665 0.030 . 2 . . . . 41 GLY HA2 . 11156 1 454 . 1 1 41 41 GLY HA3 H 1 3.897 0.030 . 2 . . . . 41 GLY HA3 . 11156 1 455 . 1 1 41 41 GLY C C 13 174.309 0.300 . 1 . . . . 41 GLY C . 11156 1 456 . 1 1 41 41 GLY CA C 13 45.678 0.300 . 1 . . . . 41 GLY CA . 11156 1 457 . 1 1 41 41 GLY N N 15 105.192 0.300 . 1 . . . . 41 GLY N . 11156 1 458 . 1 1 42 42 TRP H H 1 7.481 0.030 . 1 . . . . 42 TRP H . 11156 1 459 . 1 1 42 42 TRP HA H 1 4.821 0.030 . 1 . . . . 42 TRP HA . 11156 1 460 . 1 1 42 42 TRP HB2 H 1 2.995 0.030 . 2 . . . . 42 TRP HB2 . 11156 1 461 . 1 1 42 42 TRP HB3 H 1 2.893 0.030 . 2 . . . . 42 TRP HB3 . 11156 1 462 . 1 1 42 42 TRP HD1 H 1 7.039 0.030 . 1 . . . . 42 TRP HD1 . 11156 1 463 . 1 1 42 42 TRP HE1 H 1 10.049 0.030 . 1 . . . . 42 TRP HE1 . 11156 1 464 . 1 1 42 42 TRP HE3 H 1 7.153 0.030 . 1 . . . . 42 TRP HE3 . 11156 1 465 . 1 1 42 42 TRP HH2 H 1 7.216 0.030 . 1 . . . . 42 TRP HH2 . 11156 1 466 . 1 1 42 42 TRP HZ2 H 1 7.444 0.030 . 1 . . . . 42 TRP HZ2 . 11156 1 467 . 1 1 42 42 TRP HZ3 H 1 6.644 0.030 . 1 . . . . 42 TRP HZ3 . 11156 1 468 . 1 1 42 42 TRP C C 13 174.216 0.300 . 1 . . . . 42 TRP C . 11156 1 469 . 1 1 42 42 TRP CA C 13 56.727 0.300 . 1 . . . . 42 TRP CA . 11156 1 470 . 1 1 42 42 TRP CB C 13 31.239 0.300 . 1 . . . . 42 TRP CB . 11156 1 471 . 1 1 42 42 TRP CD1 C 13 127.367 0.300 . 1 . . . . 42 TRP CD1 . 11156 1 472 . 1 1 42 42 TRP CE3 C 13 119.490 0.300 . 1 . . . . 42 TRP CE3 . 11156 1 473 . 1 1 42 42 TRP CH2 C 13 124.560 0.300 . 1 . . . . 42 TRP CH2 . 11156 1 474 . 1 1 42 42 TRP CZ2 C 13 114.346 0.300 . 1 . . . . 42 TRP CZ2 . 11156 1 475 . 1 1 42 42 TRP CZ3 C 13 120.365 0.300 . 1 . . . . 42 TRP CZ3 . 11156 1 476 . 1 1 42 42 TRP N N 15 122.052 0.300 . 1 . . . . 42 TRP N . 11156 1 477 . 1 1 42 42 TRP NE1 N 15 130.013 0.300 . 1 . . . . 42 TRP NE1 . 11156 1 478 . 1 1 43 43 TRP H H 1 8.569 0.030 . 1 . . . . 43 TRP H . 11156 1 479 . 1 1 43 43 TRP HA H 1 5.269 0.030 . 1 . . . . 43 TRP HA . 11156 1 480 . 1 1 43 43 TRP HB2 H 1 2.077 0.030 . 2 . . . . 43 TRP HB2 . 11156 1 481 . 1 1 43 43 TRP HB3 H 1 2.727 0.030 . 2 . . . . 43 TRP HB3 . 11156 1 482 . 1 1 43 43 TRP HD1 H 1 7.072 0.030 . 1 . . . . 43 TRP HD1 . 11156 1 483 . 1 1 43 43 TRP HE1 H 1 10.109 0.030 . 1 . . . . 43 TRP HE1 . 11156 1 484 . 1 1 43 43 TRP HE3 H 1 7.418 0.030 . 1 . . . . 43 TRP HE3 . 11156 1 485 . 1 1 43 43 TRP HH2 H 1 7.156 0.030 . 1 . . . . 43 TRP HH2 . 11156 1 486 . 1 1 43 43 TRP HZ2 H 1 7.444 0.030 . 1 . . . . 43 TRP HZ2 . 11156 1 487 . 1 1 43 43 TRP HZ3 H 1 6.783 0.030 . 1 . . . . 43 TRP HZ3 . 11156 1 488 . 1 1 43 43 TRP C C 13 172.879 0.300 . 1 . . . . 43 TRP C . 11156 1 489 . 1 1 43 43 TRP CA C 13 53.097 0.300 . 1 . . . . 43 TRP CA . 11156 1 490 . 1 1 43 43 TRP CB C 13 33.076 0.300 . 1 . . . . 43 TRP CB . 11156 1 491 . 1 1 43 43 TRP CD1 C 13 122.956 0.300 . 1 . . . . 43 TRP CD1 . 11156 1 492 . 1 1 43 43 TRP CE3 C 13 120.321 0.300 . 1 . . . . 43 TRP CE3 . 11156 1 493 . 1 1 43 43 TRP CH2 C 13 124.474 0.300 . 1 . . . . 43 TRP CH2 . 11156 1 494 . 1 1 43 43 TRP CZ2 C 13 114.361 0.300 . 1 . . . . 43 TRP CZ2 . 11156 1 495 . 1 1 43 43 TRP CZ3 C 13 122.257 0.300 . 1 . . . . 43 TRP CZ3 . 11156 1 496 . 1 1 43 43 TRP N N 15 124.490 0.300 . 1 . . . . 43 TRP N . 11156 1 497 . 1 1 43 43 TRP NE1 N 15 128.388 0.300 . 1 . . . . 43 TRP NE1 . 11156 1 498 . 1 1 44 44 PHE H H 1 8.866 0.030 . 1 . . . . 44 PHE H . 11156 1 499 . 1 1 44 44 PHE HA H 1 5.125 0.030 . 1 . . . . 44 PHE HA . 11156 1 500 . 1 1 44 44 PHE HB2 H 1 2.755 0.030 . 2 . . . . 44 PHE HB2 . 11156 1 501 . 1 1 44 44 PHE HB3 H 1 2.986 0.030 . 2 . . . . 44 PHE HB3 . 11156 1 502 . 1 1 44 44 PHE HD1 H 1 6.312 0.030 . 1 . . . . 44 PHE HD1 . 11156 1 503 . 1 1 44 44 PHE HD2 H 1 6.312 0.030 . 1 . . . . 44 PHE HD2 . 11156 1 504 . 1 1 44 44 PHE HE1 H 1 7.125 0.030 . 1 . . . . 44 PHE HE1 . 11156 1 505 . 1 1 44 44 PHE HE2 H 1 7.125 0.030 . 1 . . . . 44 PHE HE2 . 11156 1 506 . 1 1 44 44 PHE HZ H 1 7.126 0.030 . 1 . . . . 44 PHE HZ . 11156 1 507 . 1 1 44 44 PHE C C 13 175.828 0.300 . 1 . . . . 44 PHE C . 11156 1 508 . 1 1 44 44 PHE CA C 13 56.039 0.300 . 1 . . . . 44 PHE CA . 11156 1 509 . 1 1 44 44 PHE CB C 13 43.085 0.300 . 1 . . . . 44 PHE CB . 11156 1 510 . 1 1 44 44 PHE CD1 C 13 131.220 0.300 . 1 . . . . 44 PHE CD1 . 11156 1 511 . 1 1 44 44 PHE CD2 C 13 131.220 0.300 . 1 . . . . 44 PHE CD2 . 11156 1 512 . 1 1 44 44 PHE CE1 C 13 131.064 0.300 . 1 . . . . 44 PHE CE1 . 11156 1 513 . 1 1 44 44 PHE CE2 C 13 131.064 0.300 . 1 . . . . 44 PHE CE2 . 11156 1 514 . 1 1 44 44 PHE CZ C 13 129.667 0.300 . 1 . . . . 44 PHE CZ . 11156 1 515 . 1 1 44 44 PHE N N 15 119.703 0.300 . 1 . . . . 44 PHE N . 11156 1 516 . 1 1 45 45 GLY H H 1 8.653 0.030 . 1 . . . . 45 GLY H . 11156 1 517 . 1 1 45 45 GLY HA2 H 1 4.159 0.030 . 2 . . . . 45 GLY HA2 . 11156 1 518 . 1 1 45 45 GLY HA3 H 1 4.399 0.030 . 2 . . . . 45 GLY HA3 . 11156 1 519 . 1 1 45 45 GLY C C 13 169.649 0.300 . 1 . . . . 45 GLY C . 11156 1 520 . 1 1 45 45 GLY CA C 13 46.674 0.300 . 1 . . . . 45 GLY CA . 11156 1 521 . 1 1 45 45 GLY N N 15 116.696 0.300 . 1 . . . . 45 GLY N . 11156 1 522 . 1 1 46 46 SER H H 1 8.721 0.030 . 1 . . . . 46 SER H . 11156 1 523 . 1 1 46 46 SER HA H 1 5.496 0.030 . 1 . . . . 46 SER HA . 11156 1 524 . 1 1 46 46 SER HB2 H 1 3.535 0.030 . 2 . . . . 46 SER HB2 . 11156 1 525 . 1 1 46 46 SER HB3 H 1 3.474 0.030 . 2 . . . . 46 SER HB3 . 11156 1 526 . 1 1 46 46 SER C C 13 172.779 0.300 . 1 . . . . 46 SER C . 11156 1 527 . 1 1 46 46 SER CA C 13 56.817 0.300 . 1 . . . . 46 SER CA . 11156 1 528 . 1 1 46 46 SER CB C 13 66.686 0.300 . 1 . . . . 46 SER CB . 11156 1 529 . 1 1 46 46 SER N N 15 112.084 0.300 . 1 . . . . 46 SER N . 11156 1 530 . 1 1 47 47 LEU H H 1 8.748 0.030 . 1 . . . . 47 LEU H . 11156 1 531 . 1 1 47 47 LEU HA H 1 4.605 0.030 . 1 . . . . 47 LEU HA . 11156 1 532 . 1 1 47 47 LEU HB2 H 1 1.293 0.030 . 2 . . . . 47 LEU HB2 . 11156 1 533 . 1 1 47 47 LEU HB3 H 1 1.688 0.030 . 2 . . . . 47 LEU HB3 . 11156 1 534 . 1 1 47 47 LEU HD11 H 1 0.836 0.030 . 1 . . . . 47 LEU HD1 . 11156 1 535 . 1 1 47 47 LEU HD12 H 1 0.836 0.030 . 1 . . . . 47 LEU HD1 . 11156 1 536 . 1 1 47 47 LEU HD13 H 1 0.836 0.030 . 1 . . . . 47 LEU HD1 . 11156 1 537 . 1 1 47 47 LEU HD21 H 1 0.848 0.030 . 1 . . . . 47 LEU HD2 . 11156 1 538 . 1 1 47 47 LEU HD22 H 1 0.848 0.030 . 1 . . . . 47 LEU HD2 . 11156 1 539 . 1 1 47 47 LEU HD23 H 1 0.848 0.030 . 1 . . . . 47 LEU HD2 . 11156 1 540 . 1 1 47 47 LEU HG H 1 1.349 0.030 . 1 . . . . 47 LEU HG . 11156 1 541 . 1 1 47 47 LEU C C 13 176.158 0.300 . 1 . . . . 47 LEU C . 11156 1 542 . 1 1 47 47 LEU CA C 13 54.533 0.300 . 1 . . . . 47 LEU CA . 11156 1 543 . 1 1 47 47 LEU CB C 13 45.986 0.300 . 1 . . . . 47 LEU CB . 11156 1 544 . 1 1 47 47 LEU CD1 C 13 23.623 0.300 . 2 . . . . 47 LEU CD1 . 11156 1 545 . 1 1 47 47 LEU CD2 C 13 26.777 0.300 . 2 . . . . 47 LEU CD2 . 11156 1 546 . 1 1 47 47 LEU CG C 13 27.700 0.300 . 1 . . . . 47 LEU CG . 11156 1 547 . 1 1 47 47 LEU N N 15 123.739 0.300 . 1 . . . . 47 LEU N . 11156 1 548 . 1 1 48 48 ASN H H 1 9.659 0.030 . 1 . . . . 48 ASN H . 11156 1 549 . 1 1 48 48 ASN HA H 1 4.379 0.030 . 1 . . . . 48 ASN HA . 11156 1 550 . 1 1 48 48 ASN HB2 H 1 2.733 0.030 . 2 . . . . 48 ASN HB2 . 11156 1 551 . 1 1 48 48 ASN HB3 H 1 3.021 0.030 . 2 . . . . 48 ASN HB3 . 11156 1 552 . 1 1 48 48 ASN HD21 H 1 7.116 0.030 . 2 . . . . 48 ASN HD21 . 11156 1 553 . 1 1 48 48 ASN HD22 H 1 7.764 0.030 . 2 . . . . 48 ASN HD22 . 11156 1 554 . 1 1 48 48 ASN C C 13 175.009 0.300 . 1 . . . . 48 ASN C . 11156 1 555 . 1 1 48 48 ASN CA C 13 54.277 0.300 . 1 . . . . 48 ASN CA . 11156 1 556 . 1 1 48 48 ASN CB C 13 37.386 0.300 . 1 . . . . 48 ASN CB . 11156 1 557 . 1 1 48 48 ASN N N 15 127.281 0.300 . 1 . . . . 48 ASN N . 11156 1 558 . 1 1 48 48 ASN ND2 N 15 114.553 0.300 . 1 . . . . 48 ASN ND2 . 11156 1 559 . 1 1 49 49 GLY H H 1 8.734 0.030 . 1 . . . . 49 GLY H . 11156 1 560 . 1 1 49 49 GLY HA2 H 1 3.551 0.030 . 2 . . . . 49 GLY HA2 . 11156 1 561 . 1 1 49 49 GLY HA3 H 1 4.173 0.030 . 2 . . . . 49 GLY HA3 . 11156 1 562 . 1 1 49 49 GLY C C 13 173.662 0.300 . 1 . . . . 49 GLY C . 11156 1 563 . 1 1 49 49 GLY CA C 13 45.387 0.300 . 1 . . . . 49 GLY CA . 11156 1 564 . 1 1 49 49 GLY N N 15 104.155 0.300 . 1 . . . . 49 GLY N . 11156 1 565 . 1 1 50 50 LYS H H 1 7.772 0.030 . 1 . . . . 50 LYS H . 11156 1 566 . 1 1 50 50 LYS HA H 1 4.552 0.030 . 1 . . . . 50 LYS HA . 11156 1 567 . 1 1 50 50 LYS HB2 H 1 1.818 0.030 . 2 . . . . 50 LYS HB2 . 11156 1 568 . 1 1 50 50 LYS HB3 H 1 1.744 0.030 . 2 . . . . 50 LYS HB3 . 11156 1 569 . 1 1 50 50 LYS HD2 H 1 1.715 0.030 . 1 . . . . 50 LYS HD2 . 11156 1 570 . 1 1 50 50 LYS HD3 H 1 1.715 0.030 . 1 . . . . 50 LYS HD3 . 11156 1 571 . 1 1 50 50 LYS HE2 H 1 3.044 0.030 . 1 . . . . 50 LYS HE2 . 11156 1 572 . 1 1 50 50 LYS HE3 H 1 3.044 0.030 . 1 . . . . 50 LYS HE3 . 11156 1 573 . 1 1 50 50 LYS HG2 H 1 1.433 0.030 . 2 . . . . 50 LYS HG2 . 11156 1 574 . 1 1 50 50 LYS HG3 H 1 1.343 0.030 . 2 . . . . 50 LYS HG3 . 11156 1 575 . 1 1 50 50 LYS C C 13 174.593 0.300 . 1 . . . . 50 LYS C . 11156 1 576 . 1 1 50 50 LYS CA C 13 54.883 0.300 . 1 . . . . 50 LYS CA . 11156 1 577 . 1 1 50 50 LYS CB C 13 34.408 0.300 . 1 . . . . 50 LYS CB . 11156 1 578 . 1 1 50 50 LYS CD C 13 29.050 0.300 . 1 . . . . 50 LYS CD . 11156 1 579 . 1 1 50 50 LYS CE C 13 42.377 0.300 . 1 . . . . 50 LYS CE . 11156 1 580 . 1 1 50 50 LYS CG C 13 25.213 0.300 . 1 . . . . 50 LYS CG . 11156 1 581 . 1 1 50 50 LYS N N 15 122.516 0.300 . 1 . . . . 50 LYS N . 11156 1 582 . 1 1 51 51 LYS H H 1 8.403 0.030 . 1 . . . . 51 LYS H . 11156 1 583 . 1 1 51 51 LYS HA H 1 5.277 0.030 . 1 . . . . 51 LYS HA . 11156 1 584 . 1 1 51 51 LYS HB2 H 1 1.563 0.030 . 2 . . . . 51 LYS HB2 . 11156 1 585 . 1 1 51 51 LYS HB3 H 1 1.495 0.030 . 2 . . . . 51 LYS HB3 . 11156 1 586 . 1 1 51 51 LYS HD2 H 1 1.573 0.030 . 1 . . . . 51 LYS HD2 . 11156 1 587 . 1 1 51 51 LYS HD3 H 1 1.573 0.030 . 1 . . . . 51 LYS HD3 . 11156 1 588 . 1 1 51 51 LYS HE2 H 1 2.820 0.030 . 1 . . . . 51 LYS HE2 . 11156 1 589 . 1 1 51 51 LYS HE3 H 1 2.820 0.030 . 1 . . . . 51 LYS HE3 . 11156 1 590 . 1 1 51 51 LYS HG2 H 1 1.140 0.030 . 2 . . . . 51 LYS HG2 . 11156 1 591 . 1 1 51 51 LYS HG3 H 1 1.312 0.030 . 2 . . . . 51 LYS HG3 . 11156 1 592 . 1 1 51 51 LYS C C 13 176.932 0.300 . 1 . . . . 51 LYS C . 11156 1 593 . 1 1 51 51 LYS CA C 13 54.202 0.300 . 1 . . . . 51 LYS CA . 11156 1 594 . 1 1 51 51 LYS CB C 13 35.153 0.300 . 1 . . . . 51 LYS CB . 11156 1 595 . 1 1 51 51 LYS CD C 13 29.612 0.300 . 1 . . . . 51 LYS CD . 11156 1 596 . 1 1 51 51 LYS CE C 13 41.955 0.300 . 1 . . . . 51 LYS CE . 11156 1 597 . 1 1 51 51 LYS CG C 13 24.954 0.300 . 1 . . . . 51 LYS CG . 11156 1 598 . 1 1 51 51 LYS N N 15 120.749 0.300 . 1 . . . . 51 LYS N . 11156 1 599 . 1 1 52 52 GLY H H 1 8.362 0.030 . 1 . . . . 52 GLY H . 11156 1 600 . 1 1 52 52 GLY HA2 H 1 3.991 0.030 . 2 . . . . 52 GLY HA2 . 11156 1 601 . 1 1 52 52 GLY HA3 H 1 3.812 0.030 . 2 . . . . 52 GLY HA3 . 11156 1 602 . 1 1 52 52 GLY C C 13 170.846 0.300 . 1 . . . . 52 GLY C . 11156 1 603 . 1 1 52 52 GLY CA C 13 45.788 0.300 . 1 . . . . 52 GLY CA . 11156 1 604 . 1 1 52 52 GLY N N 15 107.194 0.300 . 1 . . . . 52 GLY N . 11156 1 605 . 1 1 53 53 HIS H H 1 9.371 0.030 . 1 . . . . 53 HIS H . 11156 1 606 . 1 1 53 53 HIS HA H 1 5.963 0.030 . 1 . . . . 53 HIS HA . 11156 1 607 . 1 1 53 53 HIS HB2 H 1 2.926 0.030 . 2 . . . . 53 HIS HB2 . 11156 1 608 . 1 1 53 53 HIS HB3 H 1 3.062 0.030 . 2 . . . . 53 HIS HB3 . 11156 1 609 . 1 1 53 53 HIS HD2 H 1 6.682 0.030 . 1 . . . . 53 HIS HD2 . 11156 1 610 . 1 1 53 53 HIS HE1 H 1 7.698 0.030 . 1 . . . . 53 HIS HE1 . 11156 1 611 . 1 1 53 53 HIS C C 13 175.657 0.300 . 1 . . . . 53 HIS C . 11156 1 612 . 1 1 53 53 HIS CA C 13 56.834 0.300 . 1 . . . . 53 HIS CA . 11156 1 613 . 1 1 53 53 HIS CB C 13 31.906 0.300 . 1 . . . . 53 HIS CB . 11156 1 614 . 1 1 53 53 HIS CD2 C 13 125.162 0.300 . 1 . . . . 53 HIS CD2 . 11156 1 615 . 1 1 53 53 HIS CE1 C 13 138.804 0.300 . 1 . . . . 53 HIS CE1 . 11156 1 616 . 1 1 53 53 HIS N N 15 117.833 0.300 . 1 . . . . 53 HIS N . 11156 1 617 . 1 1 54 54 PHE H H 1 8.713 0.030 . 1 . . . . 54 PHE H . 11156 1 618 . 1 1 54 54 PHE HA H 1 4.785 0.030 . 1 . . . . 54 PHE HA . 11156 1 619 . 1 1 54 54 PHE HB2 H 1 3.076 0.030 . 2 . . . . 54 PHE HB2 . 11156 1 620 . 1 1 54 54 PHE HB3 H 1 2.377 0.030 . 2 . . . . 54 PHE HB3 . 11156 1 621 . 1 1 54 54 PHE HD1 H 1 6.742 0.030 . 1 . . . . 54 PHE HD1 . 11156 1 622 . 1 1 54 54 PHE HD2 H 1 6.742 0.030 . 1 . . . . 54 PHE HD2 . 11156 1 623 . 1 1 54 54 PHE HE1 H 1 6.909 0.030 . 1 . . . . 54 PHE HE1 . 11156 1 624 . 1 1 54 54 PHE HE2 H 1 6.909 0.030 . 1 . . . . 54 PHE HE2 . 11156 1 625 . 1 1 54 54 PHE HZ H 1 7.011 0.030 . 1 . . . . 54 PHE HZ . 11156 1 626 . 1 1 54 54 PHE C C 13 170.358 0.300 . 1 . . . . 54 PHE C . 11156 1 627 . 1 1 54 54 PHE CA C 13 54.775 0.300 . 1 . . . . 54 PHE CA . 11156 1 628 . 1 1 54 54 PHE CB C 13 38.125 0.300 . 1 . . . . 54 PHE CB . 11156 1 629 . 1 1 54 54 PHE CD1 C 13 133.497 0.300 . 1 . . . . 54 PHE CD1 . 11156 1 630 . 1 1 54 54 PHE CD2 C 13 133.497 0.300 . 1 . . . . 54 PHE CD2 . 11156 1 631 . 1 1 54 54 PHE CE1 C 13 130.325 0.300 . 1 . . . . 54 PHE CE1 . 11156 1 632 . 1 1 54 54 PHE CE2 C 13 130.325 0.300 . 1 . . . . 54 PHE CE2 . 11156 1 633 . 1 1 54 54 PHE CZ C 13 128.703 0.300 . 1 . . . . 54 PHE CZ . 11156 1 634 . 1 1 54 54 PHE N N 15 116.503 0.300 . 1 . . . . 54 PHE N . 11156 1 635 . 1 1 55 55 PRO HA H 1 3.778 0.030 . 1 . . . . 55 PRO HA . 11156 1 636 . 1 1 55 55 PRO HB2 H 1 1.252 0.030 . 1 . . . . 55 PRO HB2 . 11156 1 637 . 1 1 55 55 PRO HB3 H 1 1.252 0.030 . 1 . . . . 55 PRO HB3 . 11156 1 638 . 1 1 55 55 PRO HD2 H 1 2.131 0.030 . 2 . . . . 55 PRO HD2 . 11156 1 639 . 1 1 55 55 PRO HD3 H 1 2.058 0.030 . 2 . . . . 55 PRO HD3 . 11156 1 640 . 1 1 55 55 PRO HG2 H 1 0.351 0.030 . 2 . . . . 55 PRO HG2 . 11156 1 641 . 1 1 55 55 PRO HG3 H 1 0.730 0.030 . 2 . . . . 55 PRO HG3 . 11156 1 642 . 1 1 55 55 PRO CA C 13 61.230 0.300 . 1 . . . . 55 PRO CA . 11156 1 643 . 1 1 55 55 PRO CB C 13 30.565 0.300 . 1 . . . . 55 PRO CB . 11156 1 644 . 1 1 55 55 PRO CD C 13 49.426 0.300 . 1 . . . . 55 PRO CD . 11156 1 645 . 1 1 55 55 PRO CG C 13 27.371 0.300 . 1 . . . . 55 PRO CG . 11156 1 646 . 1 1 56 56 ALA H H 1 7.578 0.030 . 1 . . . . 56 ALA H . 11156 1 647 . 1 1 56 56 ALA HA H 1 2.688 0.030 . 1 . . . . 56 ALA HA . 11156 1 648 . 1 1 56 56 ALA HB1 H 1 -0.086 0.030 . 1 . . . . 56 ALA HB . 11156 1 649 . 1 1 56 56 ALA HB2 H 1 -0.086 0.030 . 1 . . . . 56 ALA HB . 11156 1 650 . 1 1 56 56 ALA HB3 H 1 -0.086 0.030 . 1 . . . . 56 ALA HB . 11156 1 651 . 1 1 56 56 ALA C C 13 177.337 0.300 . 1 . . . . 56 ALA C . 11156 1 652 . 1 1 56 56 ALA CA C 13 54.083 0.300 . 1 . . . . 56 ALA CA . 11156 1 653 . 1 1 56 56 ALA CB C 13 16.589 0.300 . 1 . . . . 56 ALA CB . 11156 1 654 . 1 1 56 56 ALA N N 15 128.215 0.300 . 1 . . . . 56 ALA N . 11156 1 655 . 1 1 57 57 ALA H H 1 8.109 0.030 . 1 . . . . 57 ALA H . 11156 1 656 . 1 1 57 57 ALA HA H 1 4.019 0.030 . 1 . . . . 57 ALA HA . 11156 1 657 . 1 1 57 57 ALA HB1 H 1 1.157 0.030 . 1 . . . . 57 ALA HB . 11156 1 658 . 1 1 57 57 ALA HB2 H 1 1.157 0.030 . 1 . . . . 57 ALA HB . 11156 1 659 . 1 1 57 57 ALA HB3 H 1 1.157 0.030 . 1 . . . . 57 ALA HB . 11156 1 660 . 1 1 57 57 ALA CA C 13 53.087 0.300 . 1 . . . . 57 ALA CA . 11156 1 661 . 1 1 57 57 ALA CB C 13 17.887 0.300 . 1 . . . . 57 ALA CB . 11156 1 662 . 1 1 58 58 TYR H H 1 7.615 0.030 . 1 . . . . 58 TYR H . 11156 1 663 . 1 1 58 58 TYR HA H 1 4.525 0.030 . 1 . . . . 58 TYR HA . 11156 1 664 . 1 1 58 58 TYR HB2 H 1 3.331 0.030 . 2 . . . . 58 TYR HB2 . 11156 1 665 . 1 1 58 58 TYR HB3 H 1 2.963 0.030 . 2 . . . . 58 TYR HB3 . 11156 1 666 . 1 1 58 58 TYR HD1 H 1 6.914 0.030 . 1 . . . . 58 TYR HD1 . 11156 1 667 . 1 1 58 58 TYR HD2 H 1 6.914 0.030 . 1 . . . . 58 TYR HD2 . 11156 1 668 . 1 1 58 58 TYR HE1 H 1 6.947 0.030 . 1 . . . . 58 TYR HE1 . 11156 1 669 . 1 1 58 58 TYR HE2 H 1 6.947 0.030 . 1 . . . . 58 TYR HE2 . 11156 1 670 . 1 1 58 58 TYR C C 13 175.037 0.300 . 1 . . . . 58 TYR C . 11156 1 671 . 1 1 58 58 TYR CA C 13 58.203 0.300 . 1 . . . . 58 TYR CA . 11156 1 672 . 1 1 58 58 TYR CB C 13 37.817 0.300 . 1 . . . . 58 TYR CB . 11156 1 673 . 1 1 58 58 TYR CD1 C 13 131.879 0.300 . 1 . . . . 58 TYR CD1 . 11156 1 674 . 1 1 58 58 TYR CD2 C 13 131.879 0.300 . 1 . . . . 58 TYR CD2 . 11156 1 675 . 1 1 58 58 TYR CE1 C 13 118.447 0.300 . 1 . . . . 58 TYR CE1 . 11156 1 676 . 1 1 58 58 TYR CE2 C 13 118.447 0.300 . 1 . . . . 58 TYR CE2 . 11156 1 677 . 1 1 58 58 TYR N N 15 116.112 0.300 . 1 . . . . 58 TYR N . 11156 1 678 . 1 1 59 59 VAL H H 1 7.520 0.030 . 1 . . . . 59 VAL H . 11156 1 679 . 1 1 59 59 VAL HA H 1 5.344 0.030 . 1 . . . . 59 VAL HA . 11156 1 680 . 1 1 59 59 VAL HB H 1 1.657 0.030 . 1 . . . . 59 VAL HB . 11156 1 681 . 1 1 59 59 VAL HG11 H 1 0.596 0.030 . 1 . . . . 59 VAL HG1 . 11156 1 682 . 1 1 59 59 VAL HG12 H 1 0.596 0.030 . 1 . . . . 59 VAL HG1 . 11156 1 683 . 1 1 59 59 VAL HG13 H 1 0.596 0.030 . 1 . . . . 59 VAL HG1 . 11156 1 684 . 1 1 59 59 VAL HG21 H 1 0.924 0.030 . 1 . . . . 59 VAL HG2 . 11156 1 685 . 1 1 59 59 VAL HG22 H 1 0.924 0.030 . 1 . . . . 59 VAL HG2 . 11156 1 686 . 1 1 59 59 VAL HG23 H 1 0.924 0.030 . 1 . . . . 59 VAL HG2 . 11156 1 687 . 1 1 59 59 VAL C C 13 173.555 0.300 . 1 . . . . 59 VAL C . 11156 1 688 . 1 1 59 59 VAL CA C 13 58.493 0.300 . 1 . . . . 59 VAL CA . 11156 1 689 . 1 1 59 59 VAL CB C 13 36.316 0.300 . 1 . . . . 59 VAL CB . 11156 1 690 . 1 1 59 59 VAL CG1 C 13 20.252 0.300 . 2 . . . . 59 VAL CG1 . 11156 1 691 . 1 1 59 59 VAL CG2 C 13 18.672 0.300 . 2 . . . . 59 VAL CG2 . 11156 1 692 . 1 1 59 59 VAL N N 15 110.267 0.300 . 1 . . . . 59 VAL N . 11156 1 693 . 1 1 60 60 GLU H H 1 8.640 0.030 . 1 . . . . 60 GLU H . 11156 1 694 . 1 1 60 60 GLU HA H 1 4.786 0.030 . 1 . . . . 60 GLU HA . 11156 1 695 . 1 1 60 60 GLU HB2 H 1 1.902 0.030 . 2 . . . . 60 GLU HB2 . 11156 1 696 . 1 1 60 60 GLU HB3 H 1 1.870 0.030 . 2 . . . . 60 GLU HB3 . 11156 1 697 . 1 1 60 60 GLU HG2 H 1 2.205 0.030 . 2 . . . . 60 GLU HG2 . 11156 1 698 . 1 1 60 60 GLU HG3 H 1 2.116 0.030 . 2 . . . . 60 GLU HG3 . 11156 1 699 . 1 1 60 60 GLU C C 13 176.322 0.300 . 1 . . . . 60 GLU C . 11156 1 700 . 1 1 60 60 GLU CA C 13 53.943 0.300 . 1 . . . . 60 GLU CA . 11156 1 701 . 1 1 60 60 GLU CB C 13 33.573 0.300 . 1 . . . . 60 GLU CB . 11156 1 702 . 1 1 60 60 GLU CG C 13 35.930 0.300 . 1 . . . . 60 GLU CG . 11156 1 703 . 1 1 60 60 GLU N N 15 118.491 0.300 . 1 . . . . 60 GLU N . 11156 1 704 . 1 1 61 61 GLU H H 1 9.328 0.030 . 1 . . . . 61 GLU H . 11156 1 705 . 1 1 61 61 GLU HA H 1 4.268 0.030 . 1 . . . . 61 GLU HA . 11156 1 706 . 1 1 61 61 GLU HB2 H 1 2.082 0.030 . 2 . . . . 61 GLU HB2 . 11156 1 707 . 1 1 61 61 GLU HB3 H 1 2.029 0.030 . 2 . . . . 61 GLU HB3 . 11156 1 708 . 1 1 61 61 GLU HG2 H 1 2.428 0.030 . 2 . . . . 61 GLU HG2 . 11156 1 709 . 1 1 61 61 GLU HG3 H 1 2.207 0.030 . 2 . . . . 61 GLU HG3 . 11156 1 710 . 1 1 61 61 GLU C C 13 175.992 0.300 . 1 . . . . 61 GLU C . 11156 1 711 . 1 1 61 61 GLU CA C 13 58.110 0.300 . 1 . . . . 61 GLU CA . 11156 1 712 . 1 1 61 61 GLU CB C 13 30.609 0.300 . 1 . . . . 61 GLU CB . 11156 1 713 . 1 1 61 61 GLU CG C 13 37.843 0.300 . 1 . . . . 61 GLU CG . 11156 1 714 . 1 1 61 61 GLU N N 15 127.296 0.300 . 1 . . . . 61 GLU N . 11156 1 715 . 1 1 62 62 LEU H H 1 8.373 0.030 . 1 . . . . 62 LEU H . 11156 1 716 . 1 1 62 62 LEU HA H 1 4.656 0.030 . 1 . . . . 62 LEU HA . 11156 1 717 . 1 1 62 62 LEU HB2 H 1 1.507 0.030 . 1 . . . . 62 LEU HB2 . 11156 1 718 . 1 1 62 62 LEU HB3 H 1 1.507 0.030 . 1 . . . . 62 LEU HB3 . 11156 1 719 . 1 1 62 62 LEU HD11 H 1 0.809 0.030 . 1 . . . . 62 LEU HD1 . 11156 1 720 . 1 1 62 62 LEU HD12 H 1 0.809 0.030 . 1 . . . . 62 LEU HD1 . 11156 1 721 . 1 1 62 62 LEU HD13 H 1 0.809 0.030 . 1 . . . . 62 LEU HD1 . 11156 1 722 . 1 1 62 62 LEU HD21 H 1 0.840 0.030 . 1 . . . . 62 LEU HD2 . 11156 1 723 . 1 1 62 62 LEU HD22 H 1 0.840 0.030 . 1 . . . . 62 LEU HD2 . 11156 1 724 . 1 1 62 62 LEU HD23 H 1 0.840 0.030 . 1 . . . . 62 LEU HD2 . 11156 1 725 . 1 1 62 62 LEU HG H 1 1.556 0.030 . 1 . . . . 62 LEU HG . 11156 1 726 . 1 1 62 62 LEU C C 13 175.066 0.300 . 1 . . . . 62 LEU C . 11156 1 727 . 1 1 62 62 LEU CA C 13 52.848 0.300 . 1 . . . . 62 LEU CA . 11156 1 728 . 1 1 62 62 LEU CB C 13 41.033 0.300 . 1 . . . . 62 LEU CB . 11156 1 729 . 1 1 62 62 LEU CD1 C 13 25.492 0.300 . 2 . . . . 62 LEU CD1 . 11156 1 730 . 1 1 62 62 LEU CD2 C 13 23.062 0.300 . 2 . . . . 62 LEU CD2 . 11156 1 731 . 1 1 62 62 LEU CG C 13 27.717 0.300 . 1 . . . . 62 LEU CG . 11156 1 732 . 1 1 62 62 LEU N N 15 126.480 0.300 . 1 . . . . 62 LEU N . 11156 1 733 . 1 1 63 63 PRO HA H 1 4.457 0.030 . 1 . . . . 63 PRO HA . 11156 1 734 . 1 1 63 63 PRO HB2 H 1 2.294 0.030 . 1 . . . . 63 PRO HB2 . 11156 1 735 . 1 1 63 63 PRO HB3 H 1 2.294 0.030 . 1 . . . . 63 PRO HB3 . 11156 1 736 . 1 1 63 63 PRO HD2 H 1 3.823 0.030 . 2 . . . . 63 PRO HD2 . 11156 1 737 . 1 1 63 63 PRO HD3 H 1 3.590 0.030 . 2 . . . . 63 PRO HD3 . 11156 1 738 . 1 1 63 63 PRO HG2 H 1 2.002 0.030 . 1 . . . . 63 PRO HG2 . 11156 1 739 . 1 1 63 63 PRO HG3 H 1 2.002 0.030 . 1 . . . . 63 PRO HG3 . 11156 1 740 . 1 1 63 63 PRO C C 13 176.993 0.300 . 1 . . . . 63 PRO C . 11156 1 741 . 1 1 63 63 PRO CA C 13 62.970 0.300 . 1 . . . . 63 PRO CA . 11156 1 742 . 1 1 63 63 PRO CB C 13 32.131 0.300 . 1 . . . . 63 PRO CB . 11156 1 743 . 1 1 63 63 PRO CD C 13 50.488 0.300 . 1 . . . . 63 PRO CD . 11156 1 744 . 1 1 63 63 PRO CG C 13 27.414 0.300 . 1 . . . . 63 PRO CG . 11156 1 745 . 1 1 64 64 SER C C 13 176.968 0.300 . 1 . . . . 64 SER C . 11156 1 746 . 1 1 65 65 ASN HA H 1 4.746 0.030 . 1 . . . . 65 ASN HA . 11156 1 747 . 1 1 65 65 ASN HB2 H 1 2.798 0.030 . 2 . . . . 65 ASN HB2 . 11156 1 748 . 1 1 65 65 ASN HB3 H 1 2.734 0.030 . 2 . . . . 65 ASN HB3 . 11156 1 749 . 1 1 65 65 ASN HD21 H 1 7.598 0.030 . 2 . . . . 65 ASN HD21 . 11156 1 750 . 1 1 65 65 ASN HD22 H 1 6.894 0.030 . 2 . . . . 65 ASN HD22 . 11156 1 751 . 1 1 65 65 ASN C C 13 175.135 0.300 . 1 . . . . 65 ASN C . 11156 1 752 . 1 1 65 65 ASN CA C 13 53.090 0.300 . 1 . . . . 65 ASN CA . 11156 1 753 . 1 1 65 65 ASN CB C 13 38.718 0.300 . 1 . . . . 65 ASN CB . 11156 1 754 . 1 1 65 65 ASN ND2 N 15 112.694 0.300 . 1 . . . . 65 ASN ND2 . 11156 1 755 . 1 1 66 66 ALA H H 1 8.217 0.030 . 1 . . . . 66 ALA H . 11156 1 756 . 1 1 66 66 ALA HA H 1 4.233 0.030 . 1 . . . . 66 ALA HA . 11156 1 757 . 1 1 66 66 ALA HB1 H 1 1.354 0.030 . 1 . . . . 66 ALA HB . 11156 1 758 . 1 1 66 66 ALA HB2 H 1 1.354 0.030 . 1 . . . . 66 ALA HB . 11156 1 759 . 1 1 66 66 ALA HB3 H 1 1.354 0.030 . 1 . . . . 66 ALA HB . 11156 1 760 . 1 1 66 66 ALA C C 13 178.155 0.300 . 1 . . . . 66 ALA C . 11156 1 761 . 1 1 66 66 ALA CA C 13 52.990 0.300 . 1 . . . . 66 ALA CA . 11156 1 762 . 1 1 66 66 ALA CB C 13 19.228 0.300 . 1 . . . . 66 ALA CB . 11156 1 763 . 1 1 66 66 ALA N N 15 123.942 0.300 . 1 . . . . 66 ALA N . 11156 1 764 . 1 1 67 67 GLY H H 1 8.355 0.030 . 1 . . . . 67 GLY H . 11156 1 765 . 1 1 67 67 GLY HA2 H 1 3.891 0.030 . 1 . . . . 67 GLY HA2 . 11156 1 766 . 1 1 67 67 GLY HA3 H 1 3.891 0.030 . 1 . . . . 67 GLY HA3 . 11156 1 767 . 1 1 67 67 GLY C C 13 174.046 0.300 . 1 . . . . 67 GLY C . 11156 1 768 . 1 1 67 67 GLY CA C 13 45.349 0.300 . 1 . . . . 67 GLY CA . 11156 1 769 . 1 1 67 67 GLY N N 15 107.566 0.300 . 1 . . . . 67 GLY N . 11156 1 770 . 1 1 68 68 ASN H H 1 8.240 0.030 . 1 . . . . 68 ASN H . 11156 1 771 . 1 1 68 68 ASN HA H 1 4.784 0.030 . 1 . . . . 68 ASN HA . 11156 1 772 . 1 1 68 68 ASN HB2 H 1 2.799 0.030 . 1 . . . . 68 ASN HB2 . 11156 1 773 . 1 1 68 68 ASN HB3 H 1 2.799 0.030 . 1 . . . . 68 ASN HB3 . 11156 1 774 . 1 1 68 68 ASN C C 13 175.633 0.300 . 1 . . . . 68 ASN C . 11156 1 775 . 1 1 68 68 ASN CA C 13 53.286 0.300 . 1 . . . . 68 ASN CA . 11156 1 776 . 1 1 68 68 ASN CB C 13 38.790 0.300 . 1 . . . . 68 ASN CB . 11156 1 777 . 1 1 68 68 ASN N N 15 118.710 0.300 . 1 . . . . 68 ASN N . 11156 1 778 . 1 1 69 69 THR H H 1 8.136 0.030 . 1 . . . . 69 THR H . 11156 1 779 . 1 1 69 69 THR HA H 1 4.817 0.030 . 1 . . . . 69 THR HA . 11156 1 780 . 1 1 69 69 THR HB H 1 4.212 0.030 . 1 . . . . 69 THR HB . 11156 1 781 . 1 1 69 69 THR HG21 H 1 1.155 0.030 . 1 . . . . 69 THR HG2 . 11156 1 782 . 1 1 69 69 THR HG22 H 1 1.155 0.030 . 1 . . . . 69 THR HG2 . 11156 1 783 . 1 1 69 69 THR HG23 H 1 1.155 0.030 . 1 . . . . 69 THR HG2 . 11156 1 784 . 1 1 69 69 THR C C 13 174.415 0.300 . 1 . . . . 69 THR C . 11156 1 785 . 1 1 69 69 THR CA C 13 61.932 0.300 . 1 . . . . 69 THR CA . 11156 1 786 . 1 1 69 69 THR CB C 13 69.693 0.300 . 1 . . . . 69 THR CB . 11156 1 787 . 1 1 69 69 THR CG2 C 13 21.595 0.300 . 1 . . . . 69 THR CG2 . 11156 1 788 . 1 1 69 69 THR N N 15 114.366 0.300 . 1 . . . . 69 THR N . 11156 1 789 . 1 1 70 70 ALA H H 1 8.298 0.030 . 1 . . . . 70 ALA H . 11156 1 790 . 1 1 70 70 ALA HA H 1 4.330 0.030 . 1 . . . . 70 ALA HA . 11156 1 791 . 1 1 70 70 ALA HB1 H 1 1.354 0.030 . 1 . . . . 70 ALA HB . 11156 1 792 . 1 1 70 70 ALA HB2 H 1 1.354 0.030 . 1 . . . . 70 ALA HB . 11156 1 793 . 1 1 70 70 ALA HB3 H 1 1.354 0.030 . 1 . . . . 70 ALA HB . 11156 1 794 . 1 1 70 70 ALA C C 13 177.914 0.300 . 1 . . . . 70 ALA C . 11156 1 795 . 1 1 70 70 ALA CA C 13 52.690 0.300 . 1 . . . . 70 ALA CA . 11156 1 796 . 1 1 70 70 ALA CB C 13 19.223 0.300 . 1 . . . . 70 ALA CB . 11156 1 797 . 1 1 70 70 ALA N N 15 126.332 0.300 . 1 . . . . 70 ALA N . 11156 1 798 . 1 1 71 71 THR H H 1 8.093 0.030 . 1 . . . . 71 THR H . 11156 1 799 . 1 1 71 71 THR HA H 1 4.251 0.030 . 1 . . . . 71 THR HA . 11156 1 800 . 1 1 71 71 THR HB H 1 4.130 0.030 . 1 . . . . 71 THR HB . 11156 1 801 . 1 1 71 71 THR HG21 H 1 1.151 0.030 . 1 . . . . 71 THR HG2 . 11156 1 802 . 1 1 71 71 THR HG22 H 1 1.151 0.030 . 1 . . . . 71 THR HG2 . 11156 1 803 . 1 1 71 71 THR HG23 H 1 1.151 0.030 . 1 . . . . 71 THR HG2 . 11156 1 804 . 1 1 71 71 THR C C 13 174.482 0.300 . 1 . . . . 71 THR C . 11156 1 805 . 1 1 71 71 THR CA C 13 61.953 0.300 . 1 . . . . 71 THR CA . 11156 1 806 . 1 1 71 71 THR CB C 13 69.874 0.300 . 1 . . . . 71 THR CB . 11156 1 807 . 1 1 71 71 THR CG2 C 13 21.575 0.300 . 1 . . . . 71 THR CG2 . 11156 1 808 . 1 1 71 71 THR N N 15 113.989 0.300 . 1 . . . . 71 THR N . 11156 1 809 . 1 1 72 72 LYS H H 1 8.296 0.030 . 1 . . . . 72 LYS H . 11156 1 810 . 1 1 72 72 LYS HA H 1 4.274 0.030 . 1 . . . . 72 LYS HA . 11156 1 811 . 1 1 72 72 LYS HB2 H 1 1.788 0.030 . 2 . . . . 72 LYS HB2 . 11156 1 812 . 1 1 72 72 LYS HB3 H 1 1.711 0.030 . 2 . . . . 72 LYS HB3 . 11156 1 813 . 1 1 72 72 LYS HD2 H 1 1.738 0.030 . 1 . . . . 72 LYS HD2 . 11156 1 814 . 1 1 72 72 LYS HD3 H 1 1.738 0.030 . 1 . . . . 72 LYS HD3 . 11156 1 815 . 1 1 72 72 LYS HE2 H 1 3.037 0.030 . 1 . . . . 72 LYS HE2 . 11156 1 816 . 1 1 72 72 LYS HE3 H 1 3.037 0.030 . 1 . . . . 72 LYS HE3 . 11156 1 817 . 1 1 72 72 LYS HG2 H 1 1.388 0.030 . 1 . . . . 72 LYS HG2 . 11156 1 818 . 1 1 72 72 LYS HG3 H 1 1.388 0.030 . 1 . . . . 72 LYS HG3 . 11156 1 819 . 1 1 72 72 LYS C C 13 176.188 0.300 . 1 . . . . 72 LYS C . 11156 1 820 . 1 1 72 72 LYS CA C 13 56.183 0.300 . 1 . . . . 72 LYS CA . 11156 1 821 . 1 1 72 72 LYS CB C 13 33.083 0.300 . 1 . . . . 72 LYS CB . 11156 1 822 . 1 1 72 72 LYS CD C 13 29.252 0.300 . 1 . . . . 72 LYS CD . 11156 1 823 . 1 1 72 72 LYS CE C 13 42.171 0.300 . 1 . . . . 72 LYS CE . 11156 1 824 . 1 1 72 72 LYS CG C 13 24.500 0.300 . 1 . . . . 72 LYS CG . 11156 1 825 . 1 1 72 72 LYS N N 15 124.283 0.300 . 1 . . . . 72 LYS N . 11156 1 826 . 1 1 73 73 ALA H H 1 8.388 0.030 . 1 . . . . 73 ALA H . 11156 1 827 . 1 1 73 73 ALA HA H 1 4.329 0.030 . 1 . . . . 73 ALA HA . 11156 1 828 . 1 1 73 73 ALA HB1 H 1 1.355 0.030 . 1 . . . . 73 ALA HB . 11156 1 829 . 1 1 73 73 ALA HB2 H 1 1.355 0.030 . 1 . . . . 73 ALA HB . 11156 1 830 . 1 1 73 73 ALA HB3 H 1 1.355 0.030 . 1 . . . . 73 ALA HB . 11156 1 831 . 1 1 73 73 ALA C C 13 177.702 0.300 . 1 . . . . 73 ALA C . 11156 1 832 . 1 1 73 73 ALA CA C 13 52.689 0.300 . 1 . . . . 73 ALA CA . 11156 1 833 . 1 1 73 73 ALA CB C 13 19.194 0.300 . 1 . . . . 73 ALA CB . 11156 1 834 . 1 1 73 73 ALA N N 15 125.996 0.300 . 1 . . . . 73 ALA N . 11156 1 835 . 1 1 74 74 SER H H 1 8.297 0.030 . 1 . . . . 74 SER H . 11156 1 836 . 1 1 74 74 SER HA H 1 4.440 0.030 . 1 . . . . 74 SER HA . 11156 1 837 . 1 1 74 74 SER HB2 H 1 3.869 0.030 . 2 . . . . 74 SER HB2 . 11156 1 838 . 1 1 74 74 SER HB3 H 1 3.818 0.030 . 2 . . . . 74 SER HB3 . 11156 1 839 . 1 1 74 74 SER C C 13 174.564 0.300 . 1 . . . . 74 SER C . 11156 1 840 . 1 1 74 74 SER CA C 13 58.346 0.300 . 1 . . . . 74 SER CA . 11156 1 841 . 1 1 74 74 SER CB C 13 63.907 0.300 . 1 . . . . 74 SER CB . 11156 1 842 . 1 1 74 74 SER N N 15 115.448 0.300 . 1 . . . . 74 SER N . 11156 1 843 . 1 1 75 75 GLY H H 1 8.190 0.030 . 1 . . . . 75 GLY H . 11156 1 844 . 1 1 75 75 GLY HA2 H 1 4.103 0.030 . 2 . . . . 75 GLY HA2 . 11156 1 845 . 1 1 75 75 GLY HA3 H 1 4.065 0.030 . 2 . . . . 75 GLY HA3 . 11156 1 846 . 1 1 75 75 GLY C C 13 171.773 0.300 . 1 . . . . 75 GLY C . 11156 1 847 . 1 1 75 75 GLY CA C 13 44.618 0.300 . 1 . . . . 75 GLY CA . 11156 1 848 . 1 1 75 75 GLY N N 15 110.598 0.300 . 1 . . . . 75 GLY N . 11156 1 849 . 1 1 76 76 PRO HA H 1 4.434 0.030 . 1 . . . . 76 PRO HA . 11156 1 850 . 1 1 76 76 PRO HB2 H 1 2.294 0.030 . 2 . . . . 76 PRO HB2 . 11156 1 851 . 1 1 76 76 PRO HB3 H 1 1.909 0.030 . 2 . . . . 76 PRO HB3 . 11156 1 852 . 1 1 76 76 PRO HD2 H 1 3.578 0.030 . 1 . . . . 76 PRO HD2 . 11156 1 853 . 1 1 76 76 PRO HD3 H 1 3.578 0.030 . 1 . . . . 76 PRO HD3 . 11156 1 854 . 1 1 76 76 PRO HG2 H 1 2.004 0.030 . 1 . . . . 76 PRO HG2 . 11156 1 855 . 1 1 76 76 PRO HG3 H 1 2.004 0.030 . 1 . . . . 76 PRO HG3 . 11156 1 856 . 1 1 76 76 PRO CA C 13 63.201 0.300 . 1 . . . . 76 PRO CA . 11156 1 857 . 1 1 76 76 PRO CB C 13 32.150 0.300 . 1 . . . . 76 PRO CB . 11156 1 858 . 1 1 76 76 PRO CD C 13 49.766 0.300 . 1 . . . . 76 PRO CD . 11156 1 859 . 1 1 76 76 PRO CG C 13 27.419 0.300 . 1 . . . . 76 PRO CG . 11156 1 860 . 1 1 77 77 SER H H 1 8.512 0.030 . 1 . . . . 77 SER H . 11156 1 861 . 1 1 77 77 SER HA H 1 4.443 0.030 . 1 . . . . 77 SER HA . 11156 1 862 . 1 1 77 77 SER HB2 H 1 3.856 0.030 . 1 . . . . 77 SER HB2 . 11156 1 863 . 1 1 77 77 SER HB3 H 1 3.856 0.030 . 1 . . . . 77 SER HB3 . 11156 1 864 . 1 1 77 77 SER C C 13 174.628 0.300 . 1 . . . . 77 SER C . 11156 1 865 . 1 1 77 77 SER CA C 13 58.349 0.300 . 1 . . . . 77 SER CA . 11156 1 866 . 1 1 77 77 SER CB C 13 63.648 0.300 . 1 . . . . 77 SER CB . 11156 1 867 . 1 1 77 77 SER N N 15 116.266 0.300 . 1 . . . . 77 SER N . 11156 1 868 . 1 1 78 78 SER H H 1 8.301 0.030 . 1 . . . . 78 SER H . 11156 1 869 . 1 1 78 78 SER HA H 1 4.442 0.030 . 1 . . . . 78 SER HA . 11156 1 870 . 1 1 78 78 SER HB2 H 1 3.865 0.030 . 2 . . . . 78 SER HB2 . 11156 1 871 . 1 1 78 78 SER HB3 H 1 3.827 0.030 . 2 . . . . 78 SER HB3 . 11156 1 872 . 1 1 78 78 SER C C 13 173.922 0.300 . 1 . . . . 78 SER C . 11156 1 873 . 1 1 78 78 SER CA C 13 58.351 0.300 . 1 . . . . 78 SER CA . 11156 1 874 . 1 1 78 78 SER CB C 13 63.853 0.300 . 1 . . . . 78 SER CB . 11156 1 875 . 1 1 78 78 SER N N 15 117.765 0.300 . 1 . . . . 78 SER N . 11156 1 876 . 1 1 79 79 GLY H H 1 8.031 0.030 . 1 . . . . 79 GLY H . 11156 1 877 . 1 1 79 79 GLY C C 13 178.994 0.300 . 1 . . . . 79 GLY C . 11156 1 878 . 1 1 79 79 GLY CA C 13 46.191 0.300 . 1 . . . . 79 GLY CA . 11156 1 879 . 1 1 79 79 GLY N N 15 116.858 0.300 . 1 . . . . 79 GLY N . 11156 1 stop_ save_