data_11225 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11225 _Entry.Title ; Solution structure of the SH3 domain of human SLIT-ROBO Rho GTPase-activating protein 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-23 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-08-03 _Entry.Original_release_date 2011-08-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 X. Qin . . . 11225 2 F. Hayashi . . . 11225 3 S. Yokoyama . . . 11225 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)' . 11225 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11225 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 296 11225 '15N chemical shifts' 70 11225 '1H chemical shifts' 458 11225 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 . . 2011-08-03 2010-07-23 original author . 11225 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DL8 'BMRB Entry Tracking System' 11225 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11225 _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 SLIT-ROBO Rho GTPase-activating protein 2 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 X. Qin . . . 11225 1 2 F. Hayashi . . . 11225 1 3 S. Yokoyama . . . 11225 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11225 _Assembly.ID 1 _Assembly.Name 'SLIT-ROBO Rho GTPase-activating protein 2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'SH3 domain' 1 $entity_1 A . yes native no no . . . 11225 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 2dl8 . . . . . . 11225 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11225 _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 ; GSSGSSGEPIEAIAKFDYVG RTARELSFKKGASLLLYQRA SDDWWEGRHNGIDGLIPHQY IVVQDTSGPSSG ; _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 72 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2DL8 . "Solution Structure Of The Sh3 Domain Of Human Slit-Robo Rho Gtpase-Activating Protein 2" . . . . . 100.00 72 100.00 100.00 1.50e-43 . . . . 11225 1 2 no GB AAC52480 . "FBP 27, partial [Mus musculus]" . . . . . 70.83 51 100.00 100.00 9.72e-29 . . . . 11225 1 3 no REF XP_003410318 . "PREDICTED: SLIT-ROBO Rho GTPase-activating protein 2 isoform X3 [Loxodonta africana]" . . . . . 81.94 1071 100.00 100.00 6.36e-33 . . . . 11225 1 4 no REF XP_004375268 . "PREDICTED: SLIT-ROBO Rho GTPase-activating protein 2 isoform X1 [Trichechus manatus latirostris]" . . . . . 81.94 1071 100.00 100.00 5.89e-33 . . . . 11225 1 5 no REF XP_004375269 . "PREDICTED: SLIT-ROBO Rho GTPase-activating protein 2 isoform X3 [Trichechus manatus latirostris]" . . . . . 81.94 789 100.00 100.00 1.05e-33 . . . . 11225 1 6 no REF XP_004610117 . "PREDICTED: SLIT-ROBO Rho GTPase-activating protein 2 isoform X1 [Sorex araneus]" . . . . . 81.94 1068 98.31 98.31 2.78e-32 . . . . 11225 1 7 no REF XP_004610118 . "PREDICTED: SLIT-ROBO Rho GTPase-activating protein 2 isoform X2 [Sorex araneus]" . . . . . 81.94 1067 98.31 98.31 2.78e-32 . . . . 11225 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' . 11225 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 . 11225 1 2 . SER . 11225 1 3 . SER . 11225 1 4 . GLY . 11225 1 5 . SER . 11225 1 6 . SER . 11225 1 7 . GLY . 11225 1 8 . GLU . 11225 1 9 . PRO . 11225 1 10 . ILE . 11225 1 11 . GLU . 11225 1 12 . ALA . 11225 1 13 . ILE . 11225 1 14 . ALA . 11225 1 15 . LYS . 11225 1 16 . PHE . 11225 1 17 . ASP . 11225 1 18 . TYR . 11225 1 19 . VAL . 11225 1 20 . GLY . 11225 1 21 . ARG . 11225 1 22 . THR . 11225 1 23 . ALA . 11225 1 24 . ARG . 11225 1 25 . GLU . 11225 1 26 . LEU . 11225 1 27 . SER . 11225 1 28 . PHE . 11225 1 29 . LYS . 11225 1 30 . LYS . 11225 1 31 . GLY . 11225 1 32 . ALA . 11225 1 33 . SER . 11225 1 34 . LEU . 11225 1 35 . LEU . 11225 1 36 . LEU . 11225 1 37 . TYR . 11225 1 38 . GLN . 11225 1 39 . ARG . 11225 1 40 . ALA . 11225 1 41 . SER . 11225 1 42 . ASP . 11225 1 43 . ASP . 11225 1 44 . TRP . 11225 1 45 . TRP . 11225 1 46 . GLU . 11225 1 47 . GLY . 11225 1 48 . ARG . 11225 1 49 . HIS . 11225 1 50 . ASN . 11225 1 51 . GLY . 11225 1 52 . ILE . 11225 1 53 . ASP . 11225 1 54 . GLY . 11225 1 55 . LEU . 11225 1 56 . ILE . 11225 1 57 . PRO . 11225 1 58 . HIS . 11225 1 59 . GLN . 11225 1 60 . TYR . 11225 1 61 . ILE . 11225 1 62 . VAL . 11225 1 63 . VAL . 11225 1 64 . GLN . 11225 1 65 . ASP . 11225 1 66 . THR . 11225 1 67 . SER . 11225 1 68 . GLY . 11225 1 69 . PRO . 11225 1 70 . SER . 11225 1 71 . SER . 11225 1 72 . GLY . 11225 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 11225 1 . SER 2 2 11225 1 . SER 3 3 11225 1 . GLY 4 4 11225 1 . SER 5 5 11225 1 . SER 6 6 11225 1 . GLY 7 7 11225 1 . GLU 8 8 11225 1 . PRO 9 9 11225 1 . ILE 10 10 11225 1 . GLU 11 11 11225 1 . ALA 12 12 11225 1 . ILE 13 13 11225 1 . ALA 14 14 11225 1 . LYS 15 15 11225 1 . PHE 16 16 11225 1 . ASP 17 17 11225 1 . TYR 18 18 11225 1 . VAL 19 19 11225 1 . GLY 20 20 11225 1 . ARG 21 21 11225 1 . THR 22 22 11225 1 . ALA 23 23 11225 1 . ARG 24 24 11225 1 . GLU 25 25 11225 1 . LEU 26 26 11225 1 . SER 27 27 11225 1 . PHE 28 28 11225 1 . LYS 29 29 11225 1 . LYS 30 30 11225 1 . GLY 31 31 11225 1 . ALA 32 32 11225 1 . SER 33 33 11225 1 . LEU 34 34 11225 1 . LEU 35 35 11225 1 . LEU 36 36 11225 1 . TYR 37 37 11225 1 . GLN 38 38 11225 1 . ARG 39 39 11225 1 . ALA 40 40 11225 1 . SER 41 41 11225 1 . ASP 42 42 11225 1 . ASP 43 43 11225 1 . TRP 44 44 11225 1 . TRP 45 45 11225 1 . GLU 46 46 11225 1 . GLY 47 47 11225 1 . ARG 48 48 11225 1 . HIS 49 49 11225 1 . ASN 50 50 11225 1 . GLY 51 51 11225 1 . ILE 52 52 11225 1 . ASP 53 53 11225 1 . GLY 54 54 11225 1 . LEU 55 55 11225 1 . ILE 56 56 11225 1 . PRO 57 57 11225 1 . HIS 58 58 11225 1 . GLN 59 59 11225 1 . TYR 60 60 11225 1 . ILE 61 61 11225 1 . VAL 62 62 11225 1 . VAL 63 63 11225 1 . GLN 64 64 11225 1 . ASP 65 65 11225 1 . THR 66 66 11225 1 . SER 67 67 11225 1 . GLY 68 68 11225 1 . PRO 69 69 11225 1 . SER 70 70 11225 1 . SER 71 71 11225 1 . GLY 72 72 11225 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 11225 _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 . . . . . . . . . . . . . . . . . . . . . 11225 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 11225 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P050815-19 . . . . . . 11225 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11225 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.24mM 13C, 15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 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 1.24 . . mM . . . . 11225 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11225 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11225 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11225 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11225 1 6 H2O . . . . . . solvent 90 . . % . . . . 11225 1 7 D2O . . . . . . solvent 10 . . % . . . . 11225 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 11225 _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 11225 1 pH 7.0 0.05 pH 11225 1 pressure 1 0.001 atm 11225 1 temperature 298 0.1 K 11225 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11225 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 11225 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11225 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11225 _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.' . . 11225 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11225 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11225 _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.' . . 11225 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11225 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11225 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9296 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi N.' . . 11225 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11225 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11225 _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.' . . 11225 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11225 5 'structure solution' 11225 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 11225 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11225 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 11225 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 11225 _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 . . . . . . . . . . . . . . . . 11225 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11225 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 11225 _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 . . . . . . . . . 11225 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11225 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11225 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 11225 _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 11225 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11225 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $VNMR . . 11225 1 2 $NMRPipe . . 11225 1 3 $NMRView . . 11225 1 4 $Kujira . . 11225 1 5 $CYANA . . 11225 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 H H 1 8.255 0.030 . 1 . . . . 6 SER H . 11225 1 2 . 1 1 6 6 SER HA H 1 4.530 0.030 . 1 . . . . 6 SER HA . 11225 1 3 . 1 1 6 6 SER HB2 H 1 3.936 0.030 . 1 . . . . 6 SER HB2 . 11225 1 4 . 1 1 6 6 SER HB3 H 1 3.936 0.030 . 1 . . . . 6 SER HB3 . 11225 1 5 . 1 1 6 6 SER C C 13 174.933 0.300 . 1 . . . . 6 SER C . 11225 1 6 . 1 1 6 6 SER CA C 13 58.760 0.300 . 1 . . . . 6 SER CA . 11225 1 7 . 1 1 6 6 SER CB C 13 63.807 0.300 . 1 . . . . 6 SER CB . 11225 1 8 . 1 1 6 6 SER N N 15 115.824 0.300 . 1 . . . . 6 SER N . 11225 1 9 . 1 1 7 7 GLY H H 1 8.422 0.030 . 1 . . . . 7 GLY H . 11225 1 10 . 1 1 7 7 GLY HA2 H 1 4.060 0.030 . 1 . . . . 7 GLY HA2 . 11225 1 11 . 1 1 7 7 GLY HA3 H 1 4.060 0.030 . 1 . . . . 7 GLY HA3 . 11225 1 12 . 1 1 7 7 GLY C C 13 173.847 0.300 . 1 . . . . 7 GLY C . 11225 1 13 . 1 1 7 7 GLY CA C 13 45.133 0.300 . 1 . . . . 7 GLY CA . 11225 1 14 . 1 1 7 7 GLY N N 15 110.809 0.300 . 1 . . . . 7 GLY N . 11225 1 15 . 1 1 8 8 GLU H H 1 8.246 0.030 . 1 . . . . 8 GLU H . 11225 1 16 . 1 1 8 8 GLU HA H 1 4.680 0.030 . 1 . . . . 8 GLU HA . 11225 1 17 . 1 1 8 8 GLU HB2 H 1 2.109 0.030 . 2 . . . . 8 GLU HB2 . 11225 1 18 . 1 1 8 8 GLU HB3 H 1 1.920 0.030 . 2 . . . . 8 GLU HB3 . 11225 1 19 . 1 1 8 8 GLU HG2 H 1 2.346 0.030 . 2 . . . . 8 GLU HG2 . 11225 1 20 . 1 1 8 8 GLU HG3 H 1 2.320 0.030 . 2 . . . . 8 GLU HG3 . 11225 1 21 . 1 1 8 8 GLU C C 13 174.362 0.300 . 1 . . . . 8 GLU C . 11225 1 22 . 1 1 8 8 GLU CA C 13 54.288 0.300 . 1 . . . . 8 GLU CA . 11225 1 23 . 1 1 8 8 GLU CB C 13 29.649 0.300 . 1 . . . . 8 GLU CB . 11225 1 24 . 1 1 8 8 GLU CG C 13 35.994 0.300 . 1 . . . . 8 GLU CG . 11225 1 25 . 1 1 8 8 GLU N N 15 121.851 0.300 . 1 . . . . 8 GLU N . 11225 1 26 . 1 1 9 9 PRO HA H 1 4.763 0.030 . 1 . . . . 9 PRO HA . 11225 1 27 . 1 1 9 9 PRO HB2 H 1 1.945 0.030 . 2 . . . . 9 PRO HB2 . 11225 1 28 . 1 1 9 9 PRO HB3 H 1 1.714 0.030 . 2 . . . . 9 PRO HB3 . 11225 1 29 . 1 1 9 9 PRO HD2 H 1 3.745 0.030 . 2 . . . . 9 PRO HD2 . 11225 1 30 . 1 1 9 9 PRO HD3 H 1 3.902 0.030 . 2 . . . . 9 PRO HD3 . 11225 1 31 . 1 1 9 9 PRO HG2 H 1 2.064 0.030 . 1 . . . . 9 PRO HG2 . 11225 1 32 . 1 1 9 9 PRO HG3 H 1 2.064 0.030 . 1 . . . . 9 PRO HG3 . 11225 1 33 . 1 1 9 9 PRO C C 13 176.174 0.300 . 1 . . . . 9 PRO C . 11225 1 34 . 1 1 9 9 PRO CA C 13 62.999 0.300 . 1 . . . . 9 PRO CA . 11225 1 35 . 1 1 9 9 PRO CB C 13 32.664 0.300 . 1 . . . . 9 PRO CB . 11225 1 36 . 1 1 9 9 PRO CD C 13 50.546 0.300 . 1 . . . . 9 PRO CD . 11225 1 37 . 1 1 9 9 PRO CG C 13 27.312 0.300 . 1 . . . . 9 PRO CG . 11225 1 38 . 1 1 10 10 ILE H H 1 8.501 0.030 . 1 . . . . 10 ILE H . 11225 1 39 . 1 1 10 10 ILE HA H 1 4.252 0.030 . 1 . . . . 10 ILE HA . 11225 1 40 . 1 1 10 10 ILE HB H 1 1.639 0.030 . 1 . . . . 10 ILE HB . 11225 1 41 . 1 1 10 10 ILE HD11 H 1 0.904 0.030 . 1 . . . . 10 ILE HD1 . 11225 1 42 . 1 1 10 10 ILE HD12 H 1 0.904 0.030 . 1 . . . . 10 ILE HD1 . 11225 1 43 . 1 1 10 10 ILE HD13 H 1 0.904 0.030 . 1 . . . . 10 ILE HD1 . 11225 1 44 . 1 1 10 10 ILE HG12 H 1 1.575 0.030 . 2 . . . . 10 ILE HG12 . 11225 1 45 . 1 1 10 10 ILE HG13 H 1 1.093 0.030 . 2 . . . . 10 ILE HG13 . 11225 1 46 . 1 1 10 10 ILE HG21 H 1 0.835 0.030 . 1 . . . . 10 ILE HG2 . 11225 1 47 . 1 1 10 10 ILE HG22 H 1 0.835 0.030 . 1 . . . . 10 ILE HG2 . 11225 1 48 . 1 1 10 10 ILE HG23 H 1 0.835 0.030 . 1 . . . . 10 ILE HG2 . 11225 1 49 . 1 1 10 10 ILE C C 13 175.114 0.300 . 1 . . . . 10 ILE C . 11225 1 50 . 1 1 10 10 ILE CA C 13 60.369 0.300 . 1 . . . . 10 ILE CA . 11225 1 51 . 1 1 10 10 ILE CB C 13 40.899 0.300 . 1 . . . . 10 ILE CB . 11225 1 52 . 1 1 10 10 ILE CD1 C 13 13.842 0.300 . 1 . . . . 10 ILE CD1 . 11225 1 53 . 1 1 10 10 ILE CG1 C 13 27.413 0.300 . 1 . . . . 10 ILE CG1 . 11225 1 54 . 1 1 10 10 ILE CG2 C 13 18.028 0.300 . 1 . . . . 10 ILE CG2 . 11225 1 55 . 1 1 10 10 ILE N N 15 121.074 0.300 . 1 . . . . 10 ILE N . 11225 1 56 . 1 1 11 11 GLU H H 1 8.492 0.030 . 1 . . . . 11 GLU H . 11225 1 57 . 1 1 11 11 GLU HA H 1 4.650 0.030 . 1 . . . . 11 GLU HA . 11225 1 58 . 1 1 11 11 GLU HB2 H 1 2.001 0.030 . 2 . . . . 11 GLU HB2 . 11225 1 59 . 1 1 11 11 GLU HB3 H 1 1.859 0.030 . 2 . . . . 11 GLU HB3 . 11225 1 60 . 1 1 11 11 GLU HG2 H 1 2.253 0.030 . 2 . . . . 11 GLU HG2 . 11225 1 61 . 1 1 11 11 GLU HG3 H 1 2.121 0.030 . 2 . . . . 11 GLU HG3 . 11225 1 62 . 1 1 11 11 GLU C C 13 174.898 0.300 . 1 . . . . 11 GLU C . 11225 1 63 . 1 1 11 11 GLU CA C 13 56.252 0.300 . 1 . . . . 11 GLU CA . 11225 1 64 . 1 1 11 11 GLU CB C 13 30.998 0.300 . 1 . . . . 11 GLU CB . 11225 1 65 . 1 1 11 11 GLU CG C 13 36.812 0.300 . 1 . . . . 11 GLU CG . 11225 1 66 . 1 1 11 11 GLU N N 15 125.030 0.300 . 1 . . . . 11 GLU N . 11225 1 67 . 1 1 12 12 ALA H H 1 8.557 0.030 . 1 . . . . 12 ALA H . 11225 1 68 . 1 1 12 12 ALA HA H 1 4.892 0.030 . 1 . . . . 12 ALA HA . 11225 1 69 . 1 1 12 12 ALA HB1 H 1 0.915 0.030 . 1 . . . . 12 ALA HB . 11225 1 70 . 1 1 12 12 ALA HB2 H 1 0.915 0.030 . 1 . . . . 12 ALA HB . 11225 1 71 . 1 1 12 12 ALA HB3 H 1 0.915 0.030 . 1 . . . . 12 ALA HB . 11225 1 72 . 1 1 12 12 ALA C C 13 174.897 0.300 . 1 . . . . 12 ALA C . 11225 1 73 . 1 1 12 12 ALA CA C 13 50.028 0.300 . 1 . . . . 12 ALA CA . 11225 1 74 . 1 1 12 12 ALA CB C 13 24.022 0.300 . 1 . . . . 12 ALA CB . 11225 1 75 . 1 1 12 12 ALA N N 15 123.926 0.300 . 1 . . . . 12 ALA N . 11225 1 76 . 1 1 13 13 ILE H H 1 8.201 0.030 . 1 . . . . 13 ILE H . 11225 1 77 . 1 1 13 13 ILE HA H 1 5.098 0.030 . 1 . . . . 13 ILE HA . 11225 1 78 . 1 1 13 13 ILE HB H 1 1.486 0.030 . 1 . . . . 13 ILE HB . 11225 1 79 . 1 1 13 13 ILE HD11 H 1 0.713 0.030 . 1 . . . . 13 ILE HD1 . 11225 1 80 . 1 1 13 13 ILE HD12 H 1 0.713 0.030 . 1 . . . . 13 ILE HD1 . 11225 1 81 . 1 1 13 13 ILE HD13 H 1 0.713 0.030 . 1 . . . . 13 ILE HD1 . 11225 1 82 . 1 1 13 13 ILE HG12 H 1 1.271 0.030 . 2 . . . . 13 ILE HG12 . 11225 1 83 . 1 1 13 13 ILE HG13 H 1 1.040 0.030 . 2 . . . . 13 ILE HG13 . 11225 1 84 . 1 1 13 13 ILE HG21 H 1 0.722 0.030 . 1 . . . . 13 ILE HG2 . 11225 1 85 . 1 1 13 13 ILE HG22 H 1 0.722 0.030 . 1 . . . . 13 ILE HG2 . 11225 1 86 . 1 1 13 13 ILE HG23 H 1 0.722 0.030 . 1 . . . . 13 ILE HG2 . 11225 1 87 . 1 1 13 13 ILE C C 13 176.044 0.300 . 1 . . . . 13 ILE C . 11225 1 88 . 1 1 13 13 ILE CA C 13 57.781 0.300 . 1 . . . . 13 ILE CA . 11225 1 89 . 1 1 13 13 ILE CB C 13 41.209 0.300 . 1 . . . . 13 ILE CB . 11225 1 90 . 1 1 13 13 ILE CD1 C 13 12.144 0.300 . 1 . . . . 13 ILE CD1 . 11225 1 91 . 1 1 13 13 ILE CG1 C 13 27.186 0.300 . 1 . . . . 13 ILE CG1 . 11225 1 92 . 1 1 13 13 ILE CG2 C 13 17.144 0.300 . 1 . . . . 13 ILE CG2 . 11225 1 93 . 1 1 13 13 ILE N N 15 118.419 0.300 . 1 . . . . 13 ILE N . 11225 1 94 . 1 1 14 14 ALA H H 1 8.509 0.030 . 1 . . . . 14 ALA H . 11225 1 95 . 1 1 14 14 ALA HA H 1 4.419 0.030 . 1 . . . . 14 ALA HA . 11225 1 96 . 1 1 14 14 ALA HB1 H 1 1.582 0.030 . 1 . . . . 14 ALA HB . 11225 1 97 . 1 1 14 14 ALA HB2 H 1 1.582 0.030 . 1 . . . . 14 ALA HB . 11225 1 98 . 1 1 14 14 ALA HB3 H 1 1.582 0.030 . 1 . . . . 14 ALA HB . 11225 1 99 . 1 1 14 14 ALA C C 13 178.508 0.300 . 1 . . . . 14 ALA C . 11225 1 100 . 1 1 14 14 ALA CA C 13 52.380 0.300 . 1 . . . . 14 ALA CA . 11225 1 101 . 1 1 14 14 ALA CB C 13 21.333 0.300 . 1 . . . . 14 ALA CB . 11225 1 102 . 1 1 14 14 ALA N N 15 126.677 0.300 . 1 . . . . 14 ALA N . 11225 1 103 . 1 1 15 15 LYS H H 1 9.451 0.030 . 1 . . . . 15 LYS H . 11225 1 104 . 1 1 15 15 LYS HA H 1 3.830 0.030 . 1 . . . . 15 LYS HA . 11225 1 105 . 1 1 15 15 LYS HB2 H 1 1.103 0.030 . 2 . . . . 15 LYS HB2 . 11225 1 106 . 1 1 15 15 LYS HB3 H 1 1.018 0.030 . 2 . . . . 15 LYS HB3 . 11225 1 107 . 1 1 15 15 LYS HD2 H 1 1.271 0.030 . 1 . . . . 15 LYS HD2 . 11225 1 108 . 1 1 15 15 LYS HD3 H 1 1.271 0.030 . 1 . . . . 15 LYS HD3 . 11225 1 109 . 1 1 15 15 LYS HE2 H 1 2.672 0.030 . 1 . . . . 15 LYS HE2 . 11225 1 110 . 1 1 15 15 LYS HE3 H 1 2.672 0.030 . 1 . . . . 15 LYS HE3 . 11225 1 111 . 1 1 15 15 LYS HG2 H 1 0.769 0.030 . 2 . . . . 15 LYS HG2 . 11225 1 112 . 1 1 15 15 LYS HG3 H 1 0.458 0.030 . 2 . . . . 15 LYS HG3 . 11225 1 113 . 1 1 15 15 LYS C C 13 173.961 0.300 . 1 . . . . 15 LYS C . 11225 1 114 . 1 1 15 15 LYS CA C 13 57.392 0.300 . 1 . . . . 15 LYS CA . 11225 1 115 . 1 1 15 15 LYS CB C 13 34.714 0.300 . 1 . . . . 15 LYS CB . 11225 1 116 . 1 1 15 15 LYS CD C 13 29.399 0.300 . 1 . . . . 15 LYS CD . 11225 1 117 . 1 1 15 15 LYS CE C 13 41.687 0.300 . 1 . . . . 15 LYS CE . 11225 1 118 . 1 1 15 15 LYS CG C 13 24.659 0.300 . 1 . . . . 15 LYS CG . 11225 1 119 . 1 1 15 15 LYS N N 15 128.004 0.300 . 1 . . . . 15 LYS N . 11225 1 120 . 1 1 16 16 PHE H H 1 7.395 0.030 . 1 . . . . 16 PHE H . 11225 1 121 . 1 1 16 16 PHE HA H 1 4.976 0.030 . 1 . . . . 16 PHE HA . 11225 1 122 . 1 1 16 16 PHE HB2 H 1 2.836 0.030 . 2 . . . . 16 PHE HB2 . 11225 1 123 . 1 1 16 16 PHE HB3 H 1 3.607 0.030 . 2 . . . . 16 PHE HB3 . 11225 1 124 . 1 1 16 16 PHE HD1 H 1 7.097 0.030 . 1 . . . . 16 PHE HD1 . 11225 1 125 . 1 1 16 16 PHE HD2 H 1 7.097 0.030 . 1 . . . . 16 PHE HD2 . 11225 1 126 . 1 1 16 16 PHE HE1 H 1 7.237 0.030 . 1 . . . . 16 PHE HE1 . 11225 1 127 . 1 1 16 16 PHE HE2 H 1 7.237 0.030 . 1 . . . . 16 PHE HE2 . 11225 1 128 . 1 1 16 16 PHE HZ H 1 7.237 0.030 . 1 . . . . 16 PHE HZ . 11225 1 129 . 1 1 16 16 PHE C C 13 173.556 0.300 . 1 . . . . 16 PHE C . 11225 1 130 . 1 1 16 16 PHE CA C 13 54.194 0.300 . 1 . . . . 16 PHE CA . 11225 1 131 . 1 1 16 16 PHE CB C 13 44.417 0.300 . 1 . . . . 16 PHE CB . 11225 1 132 . 1 1 16 16 PHE CD1 C 13 132.338 0.300 . 1 . . . . 16 PHE CD1 . 11225 1 133 . 1 1 16 16 PHE CD2 C 13 132.338 0.300 . 1 . . . . 16 PHE CD2 . 11225 1 134 . 1 1 16 16 PHE CE1 C 13 130.766 0.300 . 1 . . . . 16 PHE CE1 . 11225 1 135 . 1 1 16 16 PHE CE2 C 13 130.766 0.300 . 1 . . . . 16 PHE CE2 . 11225 1 136 . 1 1 16 16 PHE CZ C 13 129.379 0.300 . 1 . . . . 16 PHE CZ . 11225 1 137 . 1 1 16 16 PHE N N 15 111.644 0.300 . 1 . . . . 16 PHE N . 11225 1 138 . 1 1 17 17 ASP H H 1 8.468 0.030 . 1 . . . . 17 ASP H . 11225 1 139 . 1 1 17 17 ASP HA H 1 4.744 0.030 . 1 . . . . 17 ASP HA . 11225 1 140 . 1 1 17 17 ASP HB2 H 1 2.699 0.030 . 2 . . . . 17 ASP HB2 . 11225 1 141 . 1 1 17 17 ASP HB3 H 1 2.638 0.030 . 2 . . . . 17 ASP HB3 . 11225 1 142 . 1 1 17 17 ASP C C 13 175.882 0.300 . 1 . . . . 17 ASP C . 11225 1 143 . 1 1 17 17 ASP CA C 13 54.705 0.300 . 1 . . . . 17 ASP CA . 11225 1 144 . 1 1 17 17 ASP CB C 13 41.789 0.300 . 1 . . . . 17 ASP CB . 11225 1 145 . 1 1 17 17 ASP N N 15 117.937 0.300 . 1 . . . . 17 ASP N . 11225 1 146 . 1 1 18 18 TYR H H 1 8.694 0.030 . 1 . . . . 18 TYR H . 11225 1 147 . 1 1 18 18 TYR HA H 1 4.318 0.030 . 1 . . . . 18 TYR HA . 11225 1 148 . 1 1 18 18 TYR HB2 H 1 2.088 0.030 . 2 . . . . 18 TYR HB2 . 11225 1 149 . 1 1 18 18 TYR HB3 H 1 0.979 0.030 . 2 . . . . 18 TYR HB3 . 11225 1 150 . 1 1 18 18 TYR HD1 H 1 6.534 0.030 . 1 . . . . 18 TYR HD1 . 11225 1 151 . 1 1 18 18 TYR HD2 H 1 6.534 0.030 . 1 . . . . 18 TYR HD2 . 11225 1 152 . 1 1 18 18 TYR HE1 H 1 6.759 0.030 . 1 . . . . 18 TYR HE1 . 11225 1 153 . 1 1 18 18 TYR HE2 H 1 6.759 0.030 . 1 . . . . 18 TYR HE2 . 11225 1 154 . 1 1 18 18 TYR C C 13 173.683 0.300 . 1 . . . . 18 TYR C . 11225 1 155 . 1 1 18 18 TYR CA C 13 58.855 0.300 . 1 . . . . 18 TYR CA . 11225 1 156 . 1 1 18 18 TYR CB C 13 42.612 0.300 . 1 . . . . 18 TYR CB . 11225 1 157 . 1 1 18 18 TYR CD1 C 13 133.011 0.300 . 1 . . . . 18 TYR CD1 . 11225 1 158 . 1 1 18 18 TYR CD2 C 13 133.011 0.300 . 1 . . . . 18 TYR CD2 . 11225 1 159 . 1 1 18 18 TYR CE1 C 13 117.318 0.300 . 1 . . . . 18 TYR CE1 . 11225 1 160 . 1 1 18 18 TYR CE2 C 13 117.318 0.300 . 1 . . . . 18 TYR CE2 . 11225 1 161 . 1 1 18 18 TYR N N 15 120.107 0.300 . 1 . . . . 18 TYR N . 11225 1 162 . 1 1 19 19 VAL H H 1 6.847 0.030 . 1 . . . . 19 VAL H . 11225 1 163 . 1 1 19 19 VAL HA H 1 3.788 0.030 . 1 . . . . 19 VAL HA . 11225 1 164 . 1 1 19 19 VAL HB H 1 1.527 0.030 . 1 . . . . 19 VAL HB . 11225 1 165 . 1 1 19 19 VAL HG11 H 1 0.720 0.030 . 1 . . . . 19 VAL HG1 . 11225 1 166 . 1 1 19 19 VAL HG12 H 1 0.720 0.030 . 1 . . . . 19 VAL HG1 . 11225 1 167 . 1 1 19 19 VAL HG13 H 1 0.720 0.030 . 1 . . . . 19 VAL HG1 . 11225 1 168 . 1 1 19 19 VAL HG21 H 1 0.729 0.030 . 1 . . . . 19 VAL HG2 . 11225 1 169 . 1 1 19 19 VAL HG22 H 1 0.729 0.030 . 1 . . . . 19 VAL HG2 . 11225 1 170 . 1 1 19 19 VAL HG23 H 1 0.729 0.030 . 1 . . . . 19 VAL HG2 . 11225 1 171 . 1 1 19 19 VAL C C 13 174.257 0.300 . 1 . . . . 19 VAL C . 11225 1 172 . 1 1 19 19 VAL CA C 13 60.437 0.300 . 1 . . . . 19 VAL CA . 11225 1 173 . 1 1 19 19 VAL CB C 13 32.588 0.300 . 1 . . . . 19 VAL CB . 11225 1 174 . 1 1 19 19 VAL CG1 C 13 20.653 0.300 . 2 . . . . 19 VAL CG1 . 11225 1 175 . 1 1 19 19 VAL CG2 C 13 20.778 0.300 . 2 . . . . 19 VAL CG2 . 11225 1 176 . 1 1 19 19 VAL N N 15 128.552 0.300 . 1 . . . . 19 VAL N . 11225 1 177 . 1 1 20 20 GLY H H 1 8.431 0.030 . 1 . . . . 20 GLY H . 11225 1 178 . 1 1 20 20 GLY HA2 H 1 3.373 0.030 . 2 . . . . 20 GLY HA2 . 11225 1 179 . 1 1 20 20 GLY HA3 H 1 3.985 0.030 . 2 . . . . 20 GLY HA3 . 11225 1 180 . 1 1 20 20 GLY C C 13 175.071 0.300 . 1 . . . . 20 GLY C . 11225 1 181 . 1 1 20 20 GLY CA C 13 46.594 0.300 . 1 . . . . 20 GLY CA . 11225 1 182 . 1 1 20 20 GLY N N 15 113.506 0.300 . 1 . . . . 20 GLY N . 11225 1 183 . 1 1 21 21 ARG H H 1 8.796 0.030 . 1 . . . . 21 ARG H . 11225 1 184 . 1 1 21 21 ARG HA H 1 4.237 0.030 . 1 . . . . 21 ARG HA . 11225 1 185 . 1 1 21 21 ARG HB2 H 1 2.027 0.030 . 1 . . . . 21 ARG HB2 . 11225 1 186 . 1 1 21 21 ARG HB3 H 1 2.027 0.030 . 1 . . . . 21 ARG HB3 . 11225 1 187 . 1 1 21 21 ARG HD2 H 1 3.317 0.030 . 1 . . . . 21 ARG HD2 . 11225 1 188 . 1 1 21 21 ARG HD3 H 1 3.317 0.030 . 1 . . . . 21 ARG HD3 . 11225 1 189 . 1 1 21 21 ARG HG2 H 1 1.720 0.030 . 2 . . . . 21 ARG HG2 . 11225 1 190 . 1 1 21 21 ARG HG3 H 1 1.904 0.030 . 2 . . . . 21 ARG HG3 . 11225 1 191 . 1 1 21 21 ARG C C 13 176.834 0.300 . 1 . . . . 21 ARG C . 11225 1 192 . 1 1 21 21 ARG CA C 13 56.899 0.300 . 1 . . . . 21 ARG CA . 11225 1 193 . 1 1 21 21 ARG CB C 13 31.937 0.300 . 1 . . . . 21 ARG CB . 11225 1 194 . 1 1 21 21 ARG CD C 13 43.421 0.300 . 1 . . . . 21 ARG CD . 11225 1 195 . 1 1 21 21 ARG CG C 13 27.264 0.300 . 1 . . . . 21 ARG CG . 11225 1 196 . 1 1 21 21 ARG N N 15 123.345 0.300 . 1 . . . . 21 ARG N . 11225 1 197 . 1 1 22 22 THR H H 1 7.165 0.030 . 1 . . . . 22 THR H . 11225 1 198 . 1 1 22 22 THR HA H 1 4.568 0.030 . 1 . . . . 22 THR HA . 11225 1 199 . 1 1 22 22 THR HB H 1 4.376 0.030 . 1 . . . . 22 THR HB . 11225 1 200 . 1 1 22 22 THR HG21 H 1 1.145 0.030 . 1 . . . . 22 THR HG2 . 11225 1 201 . 1 1 22 22 THR HG22 H 1 1.145 0.030 . 1 . . . . 22 THR HG2 . 11225 1 202 . 1 1 22 22 THR HG23 H 1 1.145 0.030 . 1 . . . . 22 THR HG2 . 11225 1 203 . 1 1 22 22 THR C C 13 175.485 0.300 . 1 . . . . 22 THR C . 11225 1 204 . 1 1 22 22 THR CA C 13 59.560 0.300 . 1 . . . . 22 THR CA . 11225 1 205 . 1 1 22 22 THR CB C 13 72.187 0.300 . 1 . . . . 22 THR CB . 11225 1 206 . 1 1 22 22 THR CG2 C 13 21.183 0.300 . 1 . . . . 22 THR CG2 . 11225 1 207 . 1 1 22 22 THR N N 15 106.931 0.300 . 1 . . . . 22 THR N . 11225 1 208 . 1 1 23 23 ALA H H 1 8.620 0.030 . 1 . . . . 23 ALA H . 11225 1 209 . 1 1 23 23 ALA HA H 1 4.149 0.030 . 1 . . . . 23 ALA HA . 11225 1 210 . 1 1 23 23 ALA HB1 H 1 1.466 0.030 . 1 . . . . 23 ALA HB . 11225 1 211 . 1 1 23 23 ALA HB2 H 1 1.466 0.030 . 1 . . . . 23 ALA HB . 11225 1 212 . 1 1 23 23 ALA HB3 H 1 1.466 0.030 . 1 . . . . 23 ALA HB . 11225 1 213 . 1 1 23 23 ALA C C 13 178.246 0.300 . 1 . . . . 23 ALA C . 11225 1 214 . 1 1 23 23 ALA CA C 13 54.884 0.300 . 1 . . . . 23 ALA CA . 11225 1 215 . 1 1 23 23 ALA CB C 13 18.832 0.300 . 1 . . . . 23 ALA CB . 11225 1 216 . 1 1 24 24 ARG H H 1 7.987 0.030 . 1 . . . . 24 ARG H . 11225 1 217 . 1 1 24 24 ARG HA H 1 4.361 0.030 . 1 . . . . 24 ARG HA . 11225 1 218 . 1 1 24 24 ARG HB2 H 1 1.707 0.030 . 2 . . . . 24 ARG HB2 . 11225 1 219 . 1 1 24 24 ARG HB3 H 1 1.952 0.030 . 2 . . . . 24 ARG HB3 . 11225 1 220 . 1 1 24 24 ARG HD2 H 1 3.266 0.030 . 2 . . . . 24 ARG HD2 . 11225 1 221 . 1 1 24 24 ARG HD3 H 1 3.131 0.030 . 2 . . . . 24 ARG HD3 . 11225 1 222 . 1 1 24 24 ARG HG2 H 1 1.629 0.030 . 2 . . . . 24 ARG HG2 . 11225 1 223 . 1 1 24 24 ARG HG3 H 1 1.717 0.030 . 2 . . . . 24 ARG HG3 . 11225 1 224 . 1 1 24 24 ARG C C 13 176.799 0.300 . 1 . . . . 24 ARG C . 11225 1 225 . 1 1 24 24 ARG CA C 13 56.752 0.300 . 1 . . . . 24 ARG CA . 11225 1 226 . 1 1 24 24 ARG CB C 13 30.687 0.300 . 1 . . . . 24 ARG CB . 11225 1 227 . 1 1 24 24 ARG CD C 13 43.062 0.300 . 1 . . . . 24 ARG CD . 11225 1 228 . 1 1 24 24 ARG CG C 13 28.316 0.300 . 1 . . . . 24 ARG CG . 11225 1 229 . 1 1 24 24 ARG N N 15 113.582 0.300 . 1 . . . . 24 ARG N . 11225 1 230 . 1 1 25 25 GLU H H 1 7.497 0.030 . 1 . . . . 25 GLU H . 11225 1 231 . 1 1 25 25 GLU HA H 1 4.588 0.030 . 1 . . . . 25 GLU HA . 11225 1 232 . 1 1 25 25 GLU HB2 H 1 2.032 0.030 . 2 . . . . 25 GLU HB2 . 11225 1 233 . 1 1 25 25 GLU HB3 H 1 2.624 0.030 . 2 . . . . 25 GLU HB3 . 11225 1 234 . 1 1 25 25 GLU HG2 H 1 2.178 0.030 . 2 . . . . 25 GLU HG2 . 11225 1 235 . 1 1 25 25 GLU HG3 H 1 2.049 0.030 . 2 . . . . 25 GLU HG3 . 11225 1 236 . 1 1 25 25 GLU C C 13 176.250 0.300 . 1 . . . . 25 GLU C . 11225 1 237 . 1 1 25 25 GLU CA C 13 56.179 0.300 . 1 . . . . 25 GLU CA . 11225 1 238 . 1 1 25 25 GLU CB C 13 32.427 0.300 . 1 . . . . 25 GLU CB . 11225 1 239 . 1 1 25 25 GLU CG C 13 36.940 0.300 . 1 . . . . 25 GLU CG . 11225 1 240 . 1 1 25 25 GLU N N 15 118.578 0.300 . 1 . . . . 25 GLU N . 11225 1 241 . 1 1 26 26 LEU H H 1 8.775 0.030 . 1 . . . . 26 LEU H . 11225 1 242 . 1 1 26 26 LEU HA H 1 4.571 0.030 . 1 . . . . 26 LEU HA . 11225 1 243 . 1 1 26 26 LEU HB2 H 1 1.608 0.030 . 2 . . . . 26 LEU HB2 . 11225 1 244 . 1 1 26 26 LEU HB3 H 1 1.922 0.030 . 2 . . . . 26 LEU HB3 . 11225 1 245 . 1 1 26 26 LEU HD11 H 1 0.953 0.030 . 1 . . . . 26 LEU HD1 . 11225 1 246 . 1 1 26 26 LEU HD12 H 1 0.953 0.030 . 1 . . . . 26 LEU HD1 . 11225 1 247 . 1 1 26 26 LEU HD13 H 1 0.953 0.030 . 1 . . . . 26 LEU HD1 . 11225 1 248 . 1 1 26 26 LEU HD21 H 1 0.978 0.030 . 1 . . . . 26 LEU HD2 . 11225 1 249 . 1 1 26 26 LEU HD22 H 1 0.978 0.030 . 1 . . . . 26 LEU HD2 . 11225 1 250 . 1 1 26 26 LEU HD23 H 1 0.978 0.030 . 1 . . . . 26 LEU HD2 . 11225 1 251 . 1 1 26 26 LEU HG H 1 1.636 0.030 . 1 . . . . 26 LEU HG . 11225 1 252 . 1 1 26 26 LEU C C 13 174.666 0.300 . 1 . . . . 26 LEU C . 11225 1 253 . 1 1 26 26 LEU CA C 13 54.452 0.300 . 1 . . . . 26 LEU CA . 11225 1 254 . 1 1 26 26 LEU CB C 13 43.084 0.300 . 1 . . . . 26 LEU CB . 11225 1 255 . 1 1 26 26 LEU CD1 C 13 26.054 0.300 . 2 . . . . 26 LEU CD1 . 11225 1 256 . 1 1 26 26 LEU CD2 C 13 22.615 0.300 . 2 . . . . 26 LEU CD2 . 11225 1 257 . 1 1 26 26 LEU CG C 13 27.350 0.300 . 1 . . . . 26 LEU CG . 11225 1 258 . 1 1 26 26 LEU N N 15 123.619 0.300 . 1 . . . . 26 LEU N . 11225 1 259 . 1 1 27 27 SER H H 1 7.762 0.030 . 1 . . . . 27 SER H . 11225 1 260 . 1 1 27 27 SER HA H 1 4.865 0.030 . 1 . . . . 27 SER HA . 11225 1 261 . 1 1 27 27 SER HB2 H 1 3.942 0.030 . 2 . . . . 27 SER HB2 . 11225 1 262 . 1 1 27 27 SER HB3 H 1 3.727 0.030 . 2 . . . . 27 SER HB3 . 11225 1 263 . 1 1 27 27 SER C C 13 173.606 0.300 . 1 . . . . 27 SER C . 11225 1 264 . 1 1 27 27 SER CA C 13 57.156 0.300 . 1 . . . . 27 SER CA . 11225 1 265 . 1 1 27 27 SER CB C 13 65.167 0.300 . 1 . . . . 27 SER CB . 11225 1 266 . 1 1 27 27 SER N N 15 111.132 0.300 . 1 . . . . 27 SER N . 11225 1 267 . 1 1 28 28 PHE H H 1 8.291 0.030 . 1 . . . . 28 PHE H . 11225 1 268 . 1 1 28 28 PHE HA H 1 4.696 0.030 . 1 . . . . 28 PHE HA . 11225 1 269 . 1 1 28 28 PHE HB2 H 1 2.300 0.030 . 2 . . . . 28 PHE HB2 . 11225 1 270 . 1 1 28 28 PHE HB3 H 1 2.400 0.030 . 2 . . . . 28 PHE HB3 . 11225 1 271 . 1 1 28 28 PHE HD1 H 1 6.640 0.030 . 1 . . . . 28 PHE HD1 . 11225 1 272 . 1 1 28 28 PHE HD2 H 1 6.640 0.030 . 1 . . . . 28 PHE HD2 . 11225 1 273 . 1 1 28 28 PHE HE1 H 1 7.351 0.030 . 1 . . . . 28 PHE HE1 . 11225 1 274 . 1 1 28 28 PHE HE2 H 1 7.351 0.030 . 1 . . . . 28 PHE HE2 . 11225 1 275 . 1 1 28 28 PHE HZ H 1 6.705 0.030 . 1 . . . . 28 PHE HZ . 11225 1 276 . 1 1 28 28 PHE C C 13 173.509 0.300 . 1 . . . . 28 PHE C . 11225 1 277 . 1 1 28 28 PHE CA C 13 55.688 0.300 . 1 . . . . 28 PHE CA . 11225 1 278 . 1 1 28 28 PHE CB C 13 39.179 0.300 . 1 . . . . 28 PHE CB . 11225 1 279 . 1 1 28 28 PHE CD1 C 13 132.794 0.300 . 1 . . . . 28 PHE CD1 . 11225 1 280 . 1 1 28 28 PHE CD2 C 13 132.794 0.300 . 1 . . . . 28 PHE CD2 . 11225 1 281 . 1 1 28 28 PHE CE1 C 13 130.854 0.300 . 1 . . . . 28 PHE CE1 . 11225 1 282 . 1 1 28 28 PHE CE2 C 13 130.854 0.300 . 1 . . . . 28 PHE CE2 . 11225 1 283 . 1 1 28 28 PHE CZ C 13 128.386 0.300 . 1 . . . . 28 PHE CZ . 11225 1 284 . 1 1 28 28 PHE N N 15 117.181 0.300 . 1 . . . . 28 PHE N . 11225 1 285 . 1 1 29 29 LYS H H 1 8.503 0.030 . 1 . . . . 29 LYS H . 11225 1 286 . 1 1 29 29 LYS HA H 1 4.883 0.030 . 1 . . . . 29 LYS HA . 11225 1 287 . 1 1 29 29 LYS HB2 H 1 1.763 0.030 . 2 . . . . 29 LYS HB2 . 11225 1 288 . 1 1 29 29 LYS HB3 H 1 1.926 0.030 . 2 . . . . 29 LYS HB3 . 11225 1 289 . 1 1 29 29 LYS HD2 H 1 1.699 0.030 . 2 . . . . 29 LYS HD2 . 11225 1 290 . 1 1 29 29 LYS HD3 H 1 1.653 0.030 . 2 . . . . 29 LYS HD3 . 11225 1 291 . 1 1 29 29 LYS HE2 H 1 3.050 0.030 . 2 . . . . 29 LYS HE2 . 11225 1 292 . 1 1 29 29 LYS HE3 H 1 3.001 0.030 . 2 . . . . 29 LYS HE3 . 11225 1 293 . 1 1 29 29 LYS HG2 H 1 1.479 0.030 . 2 . . . . 29 LYS HG2 . 11225 1 294 . 1 1 29 29 LYS HG3 H 1 1.531 0.030 . 2 . . . . 29 LYS HG3 . 11225 1 295 . 1 1 29 29 LYS C C 13 175.888 0.300 . 1 . . . . 29 LYS C . 11225 1 296 . 1 1 29 29 LYS CA C 13 53.446 0.300 . 1 . . . . 29 LYS CA . 11225 1 297 . 1 1 29 29 LYS CB C 13 34.732 0.300 . 1 . . . . 29 LYS CB . 11225 1 298 . 1 1 29 29 LYS CD C 13 28.455 0.300 . 1 . . . . 29 LYS CD . 11225 1 299 . 1 1 29 29 LYS CE C 13 42.156 0.300 . 1 . . . . 29 LYS CE . 11225 1 300 . 1 1 29 29 LYS CG C 13 24.625 0.300 . 1 . . . . 29 LYS CG . 11225 1 301 . 1 1 29 29 LYS N N 15 119.271 0.300 . 1 . . . . 29 LYS N . 11225 1 302 . 1 1 30 30 LYS H H 1 9.304 0.030 . 1 . . . . 30 LYS H . 11225 1 303 . 1 1 30 30 LYS HA H 1 3.312 0.030 . 1 . . . . 30 LYS HA . 11225 1 304 . 1 1 30 30 LYS HB2 H 1 1.703 0.030 . 1 . . . . 30 LYS HB2 . 11225 1 305 . 1 1 30 30 LYS HB3 H 1 1.703 0.030 . 1 . . . . 30 LYS HB3 . 11225 1 306 . 1 1 30 30 LYS HD2 H 1 1.708 0.030 . 2 . . . . 30 LYS HD2 . 11225 1 307 . 1 1 30 30 LYS HD3 H 1 1.764 0.030 . 2 . . . . 30 LYS HD3 . 11225 1 308 . 1 1 30 30 LYS HE2 H 1 3.027 0.030 . 1 . . . . 30 LYS HE2 . 11225 1 309 . 1 1 30 30 LYS HE3 H 1 3.027 0.030 . 1 . . . . 30 LYS HE3 . 11225 1 310 . 1 1 30 30 LYS HG2 H 1 1.183 0.030 . 1 . . . . 30 LYS HG2 . 11225 1 311 . 1 1 30 30 LYS HG3 H 1 1.183 0.030 . 1 . . . . 30 LYS HG3 . 11225 1 312 . 1 1 30 30 LYS C C 13 177.001 0.300 . 1 . . . . 30 LYS C . 11225 1 313 . 1 1 30 30 LYS CA C 13 58.759 0.300 . 1 . . . . 30 LYS CA . 11225 1 314 . 1 1 30 30 LYS CB C 13 32.686 0.300 . 1 . . . . 30 LYS CB . 11225 1 315 . 1 1 30 30 LYS CD C 13 29.623 0.300 . 1 . . . . 30 LYS CD . 11225 1 316 . 1 1 30 30 LYS CE C 13 42.068 0.300 . 1 . . . . 30 LYS CE . 11225 1 317 . 1 1 30 30 LYS CG C 13 24.333 0.300 . 1 . . . . 30 LYS CG . 11225 1 318 . 1 1 30 30 LYS N N 15 120.596 0.300 . 1 . . . . 30 LYS N . 11225 1 319 . 1 1 31 31 GLY H H 1 8.844 0.030 . 1 . . . . 31 GLY H . 11225 1 320 . 1 1 31 31 GLY HA2 H 1 3.471 0.030 . 2 . . . . 31 GLY HA2 . 11225 1 321 . 1 1 31 31 GLY HA3 H 1 4.380 0.030 . 2 . . . . 31 GLY HA3 . 11225 1 322 . 1 1 31 31 GLY C C 13 173.727 0.300 . 1 . . . . 31 GLY C . 11225 1 323 . 1 1 31 31 GLY CA C 13 44.694 0.300 . 1 . . . . 31 GLY CA . 11225 1 324 . 1 1 31 31 GLY N N 15 115.264 0.300 . 1 . . . . 31 GLY N . 11225 1 325 . 1 1 32 32 ALA H H 1 8.276 0.030 . 1 . . . . 32 ALA H . 11225 1 326 . 1 1 32 32 ALA HA H 1 4.295 0.030 . 1 . . . . 32 ALA HA . 11225 1 327 . 1 1 32 32 ALA HB1 H 1 1.585 0.030 . 1 . . . . 32 ALA HB . 11225 1 328 . 1 1 32 32 ALA HB2 H 1 1.585 0.030 . 1 . . . . 32 ALA HB . 11225 1 329 . 1 1 32 32 ALA HB3 H 1 1.585 0.030 . 1 . . . . 32 ALA HB . 11225 1 330 . 1 1 32 32 ALA C C 13 176.591 0.300 . 1 . . . . 32 ALA C . 11225 1 331 . 1 1 32 32 ALA CA C 13 52.767 0.300 . 1 . . . . 32 ALA CA . 11225 1 332 . 1 1 32 32 ALA CB C 13 20.565 0.300 . 1 . . . . 32 ALA CB . 11225 1 333 . 1 1 32 32 ALA N N 15 123.498 0.300 . 1 . . . . 32 ALA N . 11225 1 334 . 1 1 33 33 SER H H 1 8.547 0.030 . 1 . . . . 33 SER H . 11225 1 335 . 1 1 33 33 SER HA H 1 4.793 0.030 . 1 . . . . 33 SER HA . 11225 1 336 . 1 1 33 33 SER HB2 H 1 3.939 0.030 . 2 . . . . 33 SER HB2 . 11225 1 337 . 1 1 33 33 SER HB3 H 1 3.876 0.030 . 2 . . . . 33 SER HB3 . 11225 1 338 . 1 1 33 33 SER C C 13 173.751 0.300 . 1 . . . . 33 SER C . 11225 1 339 . 1 1 33 33 SER CA C 13 58.545 0.300 . 1 . . . . 33 SER CA . 11225 1 340 . 1 1 33 33 SER CB C 13 63.407 0.300 . 1 . . . . 33 SER CB . 11225 1 341 . 1 1 33 33 SER N N 15 115.295 0.300 . 1 . . . . 33 SER N . 11225 1 342 . 1 1 34 34 LEU H H 1 8.646 0.030 . 1 . . . . 34 LEU H . 11225 1 343 . 1 1 34 34 LEU HA H 1 4.818 0.030 . 1 . . . . 34 LEU HA . 11225 1 344 . 1 1 34 34 LEU HB2 H 1 1.063 0.030 . 2 . . . . 34 LEU HB2 . 11225 1 345 . 1 1 34 34 LEU HB3 H 1 1.028 0.030 . 2 . . . . 34 LEU HB3 . 11225 1 346 . 1 1 34 34 LEU HD11 H 1 -0.052 0.030 . 1 . . . . 34 LEU HD1 . 11225 1 347 . 1 1 34 34 LEU HD12 H 1 -0.052 0.030 . 1 . . . . 34 LEU HD1 . 11225 1 348 . 1 1 34 34 LEU HD13 H 1 -0.052 0.030 . 1 . . . . 34 LEU HD1 . 11225 1 349 . 1 1 34 34 LEU HD21 H 1 0.150 0.030 . 1 . . . . 34 LEU HD2 . 11225 1 350 . 1 1 34 34 LEU HD22 H 1 0.150 0.030 . 1 . . . . 34 LEU HD2 . 11225 1 351 . 1 1 34 34 LEU HD23 H 1 0.150 0.030 . 1 . . . . 34 LEU HD2 . 11225 1 352 . 1 1 34 34 LEU HG H 1 1.200 0.030 . 1 . . . . 34 LEU HG . 11225 1 353 . 1 1 34 34 LEU C C 13 174.936 0.300 . 1 . . . . 34 LEU C . 11225 1 354 . 1 1 34 34 LEU CA C 13 53.200 0.300 . 1 . . . . 34 LEU CA . 11225 1 355 . 1 1 34 34 LEU CB C 13 45.187 0.300 . 1 . . . . 34 LEU CB . 11225 1 356 . 1 1 34 34 LEU CD1 C 13 25.789 0.300 . 2 . . . . 34 LEU CD1 . 11225 1 357 . 1 1 34 34 LEU CD2 C 13 23.766 0.300 . 2 . . . . 34 LEU CD2 . 11225 1 358 . 1 1 34 34 LEU CG C 13 26.286 0.300 . 1 . . . . 34 LEU CG . 11225 1 359 . 1 1 34 34 LEU N N 15 125.948 0.300 . 1 . . . . 34 LEU N . 11225 1 360 . 1 1 35 35 LEU H H 1 8.032 0.030 . 1 . . . . 35 LEU H . 11225 1 361 . 1 1 35 35 LEU HA H 1 4.894 0.030 . 1 . . . . 35 LEU HA . 11225 1 362 . 1 1 35 35 LEU HB2 H 1 1.452 0.030 . 2 . . . . 35 LEU HB2 . 11225 1 363 . 1 1 35 35 LEU HB3 H 1 1.215 0.030 . 2 . . . . 35 LEU HB3 . 11225 1 364 . 1 1 35 35 LEU HD11 H 1 0.822 0.030 . 1 . . . . 35 LEU HD1 . 11225 1 365 . 1 1 35 35 LEU HD12 H 1 0.822 0.030 . 1 . . . . 35 LEU HD1 . 11225 1 366 . 1 1 35 35 LEU HD13 H 1 0.822 0.030 . 1 . . . . 35 LEU HD1 . 11225 1 367 . 1 1 35 35 LEU HD21 H 1 0.764 0.030 . 1 . . . . 35 LEU HD2 . 11225 1 368 . 1 1 35 35 LEU HD22 H 1 0.764 0.030 . 1 . . . . 35 LEU HD2 . 11225 1 369 . 1 1 35 35 LEU HD23 H 1 0.764 0.030 . 1 . . . . 35 LEU HD2 . 11225 1 370 . 1 1 35 35 LEU HG H 1 1.416 0.030 . 1 . . . . 35 LEU HG . 11225 1 371 . 1 1 35 35 LEU C C 13 174.971 0.300 . 1 . . . . 35 LEU C . 11225 1 372 . 1 1 35 35 LEU CA C 13 53.054 0.300 . 1 . . . . 35 LEU CA . 11225 1 373 . 1 1 35 35 LEU CB C 13 44.877 0.300 . 1 . . . . 35 LEU CB . 11225 1 374 . 1 1 35 35 LEU CD1 C 13 24.788 0.300 . 2 . . . . 35 LEU CD1 . 11225 1 375 . 1 1 35 35 LEU CD2 C 13 24.164 0.300 . 2 . . . . 35 LEU CD2 . 11225 1 376 . 1 1 35 35 LEU CG C 13 26.755 0.300 . 1 . . . . 35 LEU CG . 11225 1 377 . 1 1 35 35 LEU N N 15 122.095 0.300 . 1 . . . . 35 LEU N . 11225 1 378 . 1 1 36 36 LEU H H 1 9.164 0.030 . 1 . . . . 36 LEU H . 11225 1 379 . 1 1 36 36 LEU HA H 1 4.450 0.030 . 1 . . . . 36 LEU HA . 11225 1 380 . 1 1 36 36 LEU HB2 H 1 1.031 0.030 . 2 . . . . 36 LEU HB2 . 11225 1 381 . 1 1 36 36 LEU HB3 H 1 1.433 0.030 . 2 . . . . 36 LEU HB3 . 11225 1 382 . 1 1 36 36 LEU HD11 H 1 -0.722 0.030 . 1 . . . . 36 LEU HD1 . 11225 1 383 . 1 1 36 36 LEU HD12 H 1 -0.722 0.030 . 1 . . . . 36 LEU HD1 . 11225 1 384 . 1 1 36 36 LEU HD13 H 1 -0.722 0.030 . 1 . . . . 36 LEU HD1 . 11225 1 385 . 1 1 36 36 LEU HD21 H 1 0.011 0.030 . 1 . . . . 36 LEU HD2 . 11225 1 386 . 1 1 36 36 LEU HD22 H 1 0.011 0.030 . 1 . . . . 36 LEU HD2 . 11225 1 387 . 1 1 36 36 LEU HD23 H 1 0.011 0.030 . 1 . . . . 36 LEU HD2 . 11225 1 388 . 1 1 36 36 LEU HG H 1 1.021 0.030 . 1 . . . . 36 LEU HG . 11225 1 389 . 1 1 36 36 LEU C C 13 176.238 0.300 . 1 . . . . 36 LEU C . 11225 1 390 . 1 1 36 36 LEU CA C 13 53.312 0.300 . 1 . . . . 36 LEU CA . 11225 1 391 . 1 1 36 36 LEU CB C 13 41.732 0.300 . 1 . . . . 36 LEU CB . 11225 1 392 . 1 1 36 36 LEU CD1 C 13 23.623 0.300 . 2 . . . . 36 LEU CD1 . 11225 1 393 . 1 1 36 36 LEU CD2 C 13 22.054 0.300 . 2 . . . . 36 LEU CD2 . 11225 1 394 . 1 1 36 36 LEU CG C 13 25.436 0.300 . 1 . . . . 36 LEU CG . 11225 1 395 . 1 1 36 36 LEU N N 15 121.462 0.300 . 1 . . . . 36 LEU N . 11225 1 396 . 1 1 37 37 TYR H H 1 9.509 0.030 . 1 . . . . 37 TYR H . 11225 1 397 . 1 1 37 37 TYR HA H 1 4.911 0.030 . 1 . . . . 37 TYR HA . 11225 1 398 . 1 1 37 37 TYR HB2 H 1 2.875 0.030 . 2 . . . . 37 TYR HB2 . 11225 1 399 . 1 1 37 37 TYR HB3 H 1 3.259 0.030 . 2 . . . . 37 TYR HB3 . 11225 1 400 . 1 1 37 37 TYR HD1 H 1 7.011 0.030 . 1 . . . . 37 TYR HD1 . 11225 1 401 . 1 1 37 37 TYR HD2 H 1 7.011 0.030 . 1 . . . . 37 TYR HD2 . 11225 1 402 . 1 1 37 37 TYR HE1 H 1 6.707 0.030 . 1 . . . . 37 TYR HE1 . 11225 1 403 . 1 1 37 37 TYR HE2 H 1 6.707 0.030 . 1 . . . . 37 TYR HE2 . 11225 1 404 . 1 1 37 37 TYR C C 13 177.179 0.300 . 1 . . . . 37 TYR C . 11225 1 405 . 1 1 37 37 TYR CA C 13 58.054 0.300 . 1 . . . . 37 TYR CA . 11225 1 406 . 1 1 37 37 TYR CB C 13 39.584 0.300 . 1 . . . . 37 TYR CB . 11225 1 407 . 1 1 37 37 TYR CD1 C 13 131.879 0.300 . 1 . . . . 37 TYR CD1 . 11225 1 408 . 1 1 37 37 TYR CD2 C 13 131.879 0.300 . 1 . . . . 37 TYR CD2 . 11225 1 409 . 1 1 37 37 TYR CE1 C 13 117.769 0.300 . 1 . . . . 37 TYR CE1 . 11225 1 410 . 1 1 37 37 TYR CE2 C 13 117.769 0.300 . 1 . . . . 37 TYR CE2 . 11225 1 411 . 1 1 37 37 TYR N N 15 120.943 0.300 . 1 . . . . 37 TYR N . 11225 1 412 . 1 1 38 38 GLN H H 1 7.971 0.030 . 1 . . . . 38 GLN H . 11225 1 413 . 1 1 38 38 GLN HA H 1 4.784 0.030 . 1 . . . . 38 GLN HA . 11225 1 414 . 1 1 38 38 GLN HB2 H 1 2.271 0.030 . 2 . . . . 38 GLN HB2 . 11225 1 415 . 1 1 38 38 GLN HB3 H 1 2.107 0.030 . 2 . . . . 38 GLN HB3 . 11225 1 416 . 1 1 38 38 GLN HE21 H 1 6.790 0.030 . 2 . . . . 38 GLN HE21 . 11225 1 417 . 1 1 38 38 GLN HE22 H 1 7.644 0.030 . 2 . . . . 38 GLN HE22 . 11225 1 418 . 1 1 38 38 GLN HG2 H 1 2.286 0.030 . 2 . . . . 38 GLN HG2 . 11225 1 419 . 1 1 38 38 GLN HG3 H 1 2.227 0.030 . 2 . . . . 38 GLN HG3 . 11225 1 420 . 1 1 38 38 GLN C C 13 173.583 0.300 . 1 . . . . 38 GLN C . 11225 1 421 . 1 1 38 38 GLN CA C 13 55.197 0.300 . 1 . . . . 38 GLN CA . 11225 1 422 . 1 1 38 38 GLN CB C 13 31.414 0.300 . 1 . . . . 38 GLN CB . 11225 1 423 . 1 1 38 38 GLN CG C 13 32.698 0.300 . 1 . . . . 38 GLN CG . 11225 1 424 . 1 1 38 38 GLN N N 15 112.642 0.300 . 1 . . . . 38 GLN N . 11225 1 425 . 1 1 38 38 GLN NE2 N 15 111.623 0.300 . 1 . . . . 38 GLN NE2 . 11225 1 426 . 1 1 39 39 ARG H H 1 9.051 0.030 . 1 . . . . 39 ARG H . 11225 1 427 . 1 1 39 39 ARG HA H 1 3.660 0.030 . 1 . . . . 39 ARG HA . 11225 1 428 . 1 1 39 39 ARG HB2 H 1 1.517 0.030 . 2 . . . . 39 ARG HB2 . 11225 1 429 . 1 1 39 39 ARG HB3 H 1 0.339 0.030 . 2 . . . . 39 ARG HB3 . 11225 1 430 . 1 1 39 39 ARG HD2 H 1 2.099 0.030 . 2 . . . . 39 ARG HD2 . 11225 1 431 . 1 1 39 39 ARG HD3 H 1 1.464 0.030 . 2 . . . . 39 ARG HD3 . 11225 1 432 . 1 1 39 39 ARG HE H 1 5.870 0.030 . 1 . . . . 39 ARG HE . 11225 1 433 . 1 1 39 39 ARG HG2 H 1 0.853 0.030 . 2 . . . . 39 ARG HG2 . 11225 1 434 . 1 1 39 39 ARG HG3 H 1 0.449 0.030 . 2 . . . . 39 ARG HG3 . 11225 1 435 . 1 1 39 39 ARG C C 13 174.986 0.300 . 1 . . . . 39 ARG C . 11225 1 436 . 1 1 39 39 ARG CA C 13 55.592 0.300 . 1 . . . . 39 ARG CA . 11225 1 437 . 1 1 39 39 ARG CB C 13 29.679 0.300 . 1 . . . . 39 ARG CB . 11225 1 438 . 1 1 39 39 ARG CD C 13 42.270 0.300 . 1 . . . . 39 ARG CD . 11225 1 439 . 1 1 39 39 ARG CG C 13 25.850 0.300 . 1 . . . . 39 ARG CG . 11225 1 440 . 1 1 39 39 ARG N N 15 128.677 0.300 . 1 . . . . 39 ARG N . 11225 1 441 . 1 1 39 39 ARG NE N 15 83.350 0.300 . 1 . . . . 39 ARG NE . 11225 1 442 . 1 1 40 40 ALA H H 1 8.623 0.030 . 1 . . . . 40 ALA H . 11225 1 443 . 1 1 40 40 ALA HA H 1 4.356 0.030 . 1 . . . . 40 ALA HA . 11225 1 444 . 1 1 40 40 ALA HB1 H 1 1.403 0.030 . 1 . . . . 40 ALA HB . 11225 1 445 . 1 1 40 40 ALA HB2 H 1 1.403 0.030 . 1 . . . . 40 ALA HB . 11225 1 446 . 1 1 40 40 ALA HB3 H 1 1.403 0.030 . 1 . . . . 40 ALA HB . 11225 1 447 . 1 1 40 40 ALA C C 13 177.339 0.300 . 1 . . . . 40 ALA C . 11225 1 448 . 1 1 40 40 ALA CA C 13 53.815 0.300 . 1 . . . . 40 ALA CA . 11225 1 449 . 1 1 40 40 ALA CB C 13 19.761 0.300 . 1 . . . . 40 ALA CB . 11225 1 450 . 1 1 40 40 ALA N N 15 133.677 0.300 . 1 . . . . 40 ALA N . 11225 1 451 . 1 1 41 41 SER H H 1 8.527 0.030 . 1 . . . . 41 SER H . 11225 1 452 . 1 1 41 41 SER HA H 1 4.544 0.030 . 1 . . . . 41 SER HA . 11225 1 453 . 1 1 41 41 SER HB2 H 1 4.169 0.030 . 2 . . . . 41 SER HB2 . 11225 1 454 . 1 1 41 41 SER HB3 H 1 4.241 0.030 . 2 . . . . 41 SER HB3 . 11225 1 455 . 1 1 41 41 SER C C 13 174.114 0.300 . 1 . . . . 41 SER C . 11225 1 456 . 1 1 41 41 SER CA C 13 56.959 0.300 . 1 . . . . 41 SER CA . 11225 1 457 . 1 1 41 41 SER CB C 13 64.475 0.300 . 1 . . . . 41 SER CB . 11225 1 458 . 1 1 41 41 SER N N 15 110.686 0.300 . 1 . . . . 41 SER N . 11225 1 459 . 1 1 42 42 ASP H H 1 8.799 0.030 . 1 . . . . 42 ASP H . 11225 1 460 . 1 1 42 42 ASP HA H 1 4.101 0.030 . 1 . . . . 42 ASP HA . 11225 1 461 . 1 1 42 42 ASP HB2 H 1 2.526 0.030 . 1 . . . . 42 ASP HB2 . 11225 1 462 . 1 1 42 42 ASP HB3 H 1 2.526 0.030 . 1 . . . . 42 ASP HB3 . 11225 1 463 . 1 1 42 42 ASP C C 13 177.878 0.300 . 1 . . . . 42 ASP C . 11225 1 464 . 1 1 42 42 ASP CA C 13 57.531 0.300 . 1 . . . . 42 ASP CA . 11225 1 465 . 1 1 42 42 ASP CB C 13 40.023 0.300 . 1 . . . . 42 ASP CB . 11225 1 466 . 1 1 42 42 ASP N N 15 118.404 0.300 . 1 . . . . 42 ASP N . 11225 1 467 . 1 1 43 43 ASP H H 1 7.928 0.030 . 1 . . . . 43 ASP H . 11225 1 468 . 1 1 43 43 ASP HA H 1 4.749 0.030 . 1 . . . . 43 ASP HA . 11225 1 469 . 1 1 43 43 ASP HB2 H 1 2.397 0.030 . 1 . . . . 43 ASP HB2 . 11225 1 470 . 1 1 43 43 ASP HB3 H 1 2.397 0.030 . 1 . . . . 43 ASP HB3 . 11225 1 471 . 1 1 43 43 ASP C C 13 176.802 0.300 . 1 . . . . 43 ASP C . 11225 1 472 . 1 1 43 43 ASP CA C 13 54.921 0.300 . 1 . . . . 43 ASP CA . 11225 1 473 . 1 1 43 43 ASP CB C 13 42.937 0.300 . 1 . . . . 43 ASP CB . 11225 1 474 . 1 1 43 43 ASP N N 15 112.634 0.300 . 1 . . . . 43 ASP N . 11225 1 475 . 1 1 44 44 TRP H H 1 7.379 0.030 . 1 . . . . 44 TRP H . 11225 1 476 . 1 1 44 44 TRP HA H 1 5.509 0.030 . 1 . . . . 44 TRP HA . 11225 1 477 . 1 1 44 44 TRP HB2 H 1 3.200 0.030 . 2 . . . . 44 TRP HB2 . 11225 1 478 . 1 1 44 44 TRP HB3 H 1 2.975 0.030 . 2 . . . . 44 TRP HB3 . 11225 1 479 . 1 1 44 44 TRP HD1 H 1 7.125 0.030 . 1 . . . . 44 TRP HD1 . 11225 1 480 . 1 1 44 44 TRP HE1 H 1 10.199 0.030 . 1 . . . . 44 TRP HE1 . 11225 1 481 . 1 1 44 44 TRP HE3 H 1 7.464 0.030 . 1 . . . . 44 TRP HE3 . 11225 1 482 . 1 1 44 44 TRP HH2 H 1 7.250 0.030 . 1 . . . . 44 TRP HH2 . 11225 1 483 . 1 1 44 44 TRP HZ2 H 1 7.477 0.030 . 1 . . . . 44 TRP HZ2 . 11225 1 484 . 1 1 44 44 TRP HZ3 H 1 6.716 0.030 . 1 . . . . 44 TRP HZ3 . 11225 1 485 . 1 1 44 44 TRP C C 13 174.536 0.300 . 1 . . . . 44 TRP C . 11225 1 486 . 1 1 44 44 TRP CA C 13 57.107 0.300 . 1 . . . . 44 TRP CA . 11225 1 487 . 1 1 44 44 TRP CB C 13 34.327 0.300 . 1 . . . . 44 TRP CB . 11225 1 488 . 1 1 44 44 TRP CD1 C 13 127.403 0.300 . 1 . . . . 44 TRP CD1 . 11225 1 489 . 1 1 44 44 TRP CE3 C 13 120.467 0.300 . 1 . . . . 44 TRP CE3 . 11225 1 490 . 1 1 44 44 TRP CH2 C 13 124.721 0.300 . 1 . . . . 44 TRP CH2 . 11225 1 491 . 1 1 44 44 TRP CZ2 C 13 114.627 0.300 . 1 . . . . 44 TRP CZ2 . 11225 1 492 . 1 1 44 44 TRP CZ3 C 13 120.500 0.300 . 1 . . . . 44 TRP CZ3 . 11225 1 493 . 1 1 44 44 TRP N N 15 119.496 0.300 . 1 . . . . 44 TRP N . 11225 1 494 . 1 1 44 44 TRP NE1 N 15 128.604 0.300 . 1 . . . . 44 TRP NE1 . 11225 1 495 . 1 1 45 45 TRP H H 1 9.973 0.030 . 1 . . . . 45 TRP H . 11225 1 496 . 1 1 45 45 TRP HA H 1 5.126 0.030 . 1 . . . . 45 TRP HA . 11225 1 497 . 1 1 45 45 TRP HB2 H 1 2.994 0.030 . 2 . . . . 45 TRP HB2 . 11225 1 498 . 1 1 45 45 TRP HB3 H 1 3.277 0.030 . 2 . . . . 45 TRP HB3 . 11225 1 499 . 1 1 45 45 TRP HD1 H 1 6.937 0.030 . 1 . . . . 45 TRP HD1 . 11225 1 500 . 1 1 45 45 TRP HE1 H 1 13.490 0.030 . 1 . . . . 45 TRP HE1 . 11225 1 501 . 1 1 45 45 TRP HE3 H 1 7.232 0.030 . 1 . . . . 45 TRP HE3 . 11225 1 502 . 1 1 45 45 TRP HH2 H 1 7.178 0.030 . 1 . . . . 45 TRP HH2 . 11225 1 503 . 1 1 45 45 TRP HZ2 H 1 7.463 0.030 . 1 . . . . 45 TRP HZ2 . 11225 1 504 . 1 1 45 45 TRP HZ3 H 1 6.926 0.030 . 1 . . . . 45 TRP HZ3 . 11225 1 505 . 1 1 45 45 TRP C C 13 176.721 0.300 . 1 . . . . 45 TRP C . 11225 1 506 . 1 1 45 45 TRP CA C 13 56.634 0.300 . 1 . . . . 45 TRP CA . 11225 1 507 . 1 1 45 45 TRP CB C 13 31.957 0.300 . 1 . . . . 45 TRP CB . 11225 1 508 . 1 1 45 45 TRP CD1 C 13 125.457 0.300 . 1 . . . . 45 TRP CD1 . 11225 1 509 . 1 1 45 45 TRP CE3 C 13 120.169 0.300 . 1 . . . . 45 TRP CE3 . 11225 1 510 . 1 1 45 45 TRP CH2 C 13 124.285 0.300 . 1 . . . . 45 TRP CH2 . 11225 1 511 . 1 1 45 45 TRP CZ2 C 13 114.725 0.300 . 1 . . . . 45 TRP CZ2 . 11225 1 512 . 1 1 45 45 TRP CZ3 C 13 121.669 0.300 . 1 . . . . 45 TRP CZ3 . 11225 1 513 . 1 1 45 45 TRP N N 15 121.842 0.300 . 1 . . . . 45 TRP N . 11225 1 514 . 1 1 45 45 TRP NE1 N 15 138.872 0.300 . 1 . . . . 45 TRP NE1 . 11225 1 515 . 1 1 46 46 GLU H H 1 9.308 0.030 . 1 . . . . 46 GLU H . 11225 1 516 . 1 1 46 46 GLU HA H 1 5.027 0.030 . 1 . . . . 46 GLU HA . 11225 1 517 . 1 1 46 46 GLU HB2 H 1 2.453 0.030 . 2 . . . . 46 GLU HB2 . 11225 1 518 . 1 1 46 46 GLU HB3 H 1 2.187 0.030 . 2 . . . . 46 GLU HB3 . 11225 1 519 . 1 1 46 46 GLU HG2 H 1 2.420 0.030 . 2 . . . . 46 GLU HG2 . 11225 1 520 . 1 1 46 46 GLU HG3 H 1 2.313 0.030 . 2 . . . . 46 GLU HG3 . 11225 1 521 . 1 1 46 46 GLU C C 13 177.280 0.300 . 1 . . . . 46 GLU C . 11225 1 522 . 1 1 46 46 GLU CA C 13 56.123 0.300 . 1 . . . . 46 GLU CA . 11225 1 523 . 1 1 46 46 GLU CB C 13 30.684 0.300 . 1 . . . . 46 GLU CB . 11225 1 524 . 1 1 46 46 GLU CG C 13 35.607 0.300 . 1 . . . . 46 GLU CG . 11225 1 525 . 1 1 46 46 GLU N N 15 120.208 0.300 . 1 . . . . 46 GLU N . 11225 1 526 . 1 1 47 47 GLY H H 1 9.402 0.030 . 1 . . . . 47 GLY H . 11225 1 527 . 1 1 47 47 GLY HA2 H 1 4.080 0.030 . 2 . . . . 47 GLY HA2 . 11225 1 528 . 1 1 47 47 GLY HA3 H 1 4.285 0.030 . 2 . . . . 47 GLY HA3 . 11225 1 529 . 1 1 47 47 GLY C C 13 170.749 0.300 . 1 . . . . 47 GLY C . 11225 1 530 . 1 1 47 47 GLY CA C 13 47.239 0.300 . 1 . . . . 47 GLY CA . 11225 1 531 . 1 1 47 47 GLY N N 15 113.732 0.300 . 1 . . . . 47 GLY N . 11225 1 532 . 1 1 48 48 ARG H H 1 9.144 0.030 . 1 . . . . 48 ARG H . 11225 1 533 . 1 1 48 48 ARG HA H 1 5.641 0.030 . 1 . . . . 48 ARG HA . 11225 1 534 . 1 1 48 48 ARG HB2 H 1 2.062 0.030 . 2 . . . . 48 ARG HB2 . 11225 1 535 . 1 1 48 48 ARG HB3 H 1 1.424 0.030 . 2 . . . . 48 ARG HB3 . 11225 1 536 . 1 1 48 48 ARG HD2 H 1 3.137 0.030 . 2 . . . . 48 ARG HD2 . 11225 1 537 . 1 1 48 48 ARG HD3 H 1 3.080 0.030 . 2 . . . . 48 ARG HD3 . 11225 1 538 . 1 1 48 48 ARG HG2 H 1 1.457 0.030 . 2 . . . . 48 ARG HG2 . 11225 1 539 . 1 1 48 48 ARG HG3 H 1 1.371 0.030 . 2 . . . . 48 ARG HG3 . 11225 1 540 . 1 1 48 48 ARG C C 13 174.916 0.300 . 1 . . . . 48 ARG C . 11225 1 541 . 1 1 48 48 ARG CA C 13 55.084 0.300 . 1 . . . . 48 ARG CA . 11225 1 542 . 1 1 48 48 ARG CB C 13 35.339 0.300 . 1 . . . . 48 ARG CB . 11225 1 543 . 1 1 48 48 ARG CD C 13 43.967 0.300 . 1 . . . . 48 ARG CD . 11225 1 544 . 1 1 48 48 ARG CG C 13 27.327 0.300 . 1 . . . . 48 ARG CG . 11225 1 545 . 1 1 48 48 ARG N N 15 122.415 0.300 . 1 . . . . 48 ARG N . 11225 1 546 . 1 1 49 49 HIS H H 1 8.824 0.030 . 1 . . . . 49 HIS H . 11225 1 547 . 1 1 49 49 HIS HA H 1 4.915 0.030 . 1 . . . . 49 HIS HA . 11225 1 548 . 1 1 49 49 HIS HB2 H 1 3.126 0.030 . 2 . . . . 49 HIS HB2 . 11225 1 549 . 1 1 49 49 HIS HB3 H 1 3.056 0.030 . 2 . . . . 49 HIS HB3 . 11225 1 550 . 1 1 49 49 HIS HD2 H 1 7.251 0.030 . 1 . . . . 49 HIS HD2 . 11225 1 551 . 1 1 49 49 HIS HE1 H 1 7.993 0.030 . 1 . . . . 49 HIS HE1 . 11225 1 552 . 1 1 49 49 HIS C C 13 174.923 0.300 . 1 . . . . 49 HIS C . 11225 1 553 . 1 1 49 49 HIS CA C 13 56.031 0.300 . 1 . . . . 49 HIS CA . 11225 1 554 . 1 1 49 49 HIS CB C 13 32.641 0.300 . 1 . . . . 49 HIS CB . 11225 1 555 . 1 1 49 49 HIS CE1 C 13 139.081 0.300 . 1 . . . . 49 HIS CE1 . 11225 1 556 . 1 1 49 49 HIS N N 15 123.904 0.300 . 1 . . . . 49 HIS N . 11225 1 557 . 1 1 50 50 ASN H H 1 9.151 0.030 . 1 . . . . 50 ASN H . 11225 1 558 . 1 1 50 50 ASN HA H 1 4.187 0.030 . 1 . . . . 50 ASN HA . 11225 1 559 . 1 1 50 50 ASN HB2 H 1 1.792 0.030 . 2 . . . . 50 ASN HB2 . 11225 1 560 . 1 1 50 50 ASN HB3 H 1 2.984 0.030 . 2 . . . . 50 ASN HB3 . 11225 1 561 . 1 1 50 50 ASN HD21 H 1 7.538 0.030 . 2 . . . . 50 ASN HD21 . 11225 1 562 . 1 1 50 50 ASN HD22 H 1 6.738 0.030 . 2 . . . . 50 ASN HD22 . 11225 1 563 . 1 1 50 50 ASN C C 13 174.769 0.300 . 1 . . . . 50 ASN C . 11225 1 564 . 1 1 50 50 ASN CA C 13 53.149 0.300 . 1 . . . . 50 ASN CA . 11225 1 565 . 1 1 50 50 ASN CB C 13 37.272 0.300 . 1 . . . . 50 ASN CB . 11225 1 566 . 1 1 50 50 ASN N N 15 128.721 0.300 . 1 . . . . 50 ASN N . 11225 1 567 . 1 1 50 50 ASN ND2 N 15 111.101 0.300 . 1 . . . . 50 ASN ND2 . 11225 1 568 . 1 1 51 51 GLY H H 1 8.625 0.030 . 1 . . . . 51 GLY H . 11225 1 569 . 1 1 51 51 GLY HA2 H 1 3.503 0.030 . 2 . . . . 51 GLY HA2 . 11225 1 570 . 1 1 51 51 GLY HA3 H 1 4.104 0.030 . 2 . . . . 51 GLY HA3 . 11225 1 571 . 1 1 51 51 GLY C C 13 173.049 0.300 . 1 . . . . 51 GLY C . 11225 1 572 . 1 1 51 51 GLY CA C 13 45.372 0.300 . 1 . . . . 51 GLY CA . 11225 1 573 . 1 1 51 51 GLY N N 15 101.971 0.300 . 1 . . . . 51 GLY N . 11225 1 574 . 1 1 52 52 ILE H H 1 7.779 0.030 . 1 . . . . 52 ILE H . 11225 1 575 . 1 1 52 52 ILE HA H 1 4.341 0.030 . 1 . . . . 52 ILE HA . 11225 1 576 . 1 1 52 52 ILE HB H 1 2.055 0.030 . 1 . . . . 52 ILE HB . 11225 1 577 . 1 1 52 52 ILE HD11 H 1 0.952 0.030 . 1 . . . . 52 ILE HD1 . 11225 1 578 . 1 1 52 52 ILE HD12 H 1 0.952 0.030 . 1 . . . . 52 ILE HD1 . 11225 1 579 . 1 1 52 52 ILE HD13 H 1 0.952 0.030 . 1 . . . . 52 ILE HD1 . 11225 1 580 . 1 1 52 52 ILE HG12 H 1 1.600 0.030 . 2 . . . . 52 ILE HG12 . 11225 1 581 . 1 1 52 52 ILE HG13 H 1 1.213 0.030 . 2 . . . . 52 ILE HG13 . 11225 1 582 . 1 1 52 52 ILE HG21 H 1 1.035 0.030 . 1 . . . . 52 ILE HG2 . 11225 1 583 . 1 1 52 52 ILE HG22 H 1 1.035 0.030 . 1 . . . . 52 ILE HG2 . 11225 1 584 . 1 1 52 52 ILE HG23 H 1 1.035 0.030 . 1 . . . . 52 ILE HG2 . 11225 1 585 . 1 1 52 52 ILE C C 13 174.236 0.300 . 1 . . . . 52 ILE C . 11225 1 586 . 1 1 52 52 ILE CA C 13 59.938 0.300 . 1 . . . . 52 ILE CA . 11225 1 587 . 1 1 52 52 ILE CB C 13 39.829 0.300 . 1 . . . . 52 ILE CB . 11225 1 588 . 1 1 52 52 ILE CD1 C 13 12.200 0.300 . 1 . . . . 52 ILE CD1 . 11225 1 589 . 1 1 52 52 ILE CG1 C 13 26.777 0.300 . 1 . . . . 52 ILE CG1 . 11225 1 590 . 1 1 52 52 ILE CG2 C 13 17.662 0.300 . 1 . . . . 52 ILE CG2 . 11225 1 591 . 1 1 52 52 ILE N N 15 121.664 0.300 . 1 . . . . 52 ILE N . 11225 1 592 . 1 1 53 53 ASP H H 1 8.404 0.030 . 1 . . . . 53 ASP H . 11225 1 593 . 1 1 53 53 ASP HA H 1 5.858 0.030 . 1 . . . . 53 ASP HA . 11225 1 594 . 1 1 53 53 ASP HB2 H 1 3.003 0.030 . 2 . . . . 53 ASP HB2 . 11225 1 595 . 1 1 53 53 ASP HB3 H 1 2.645 0.030 . 2 . . . . 53 ASP HB3 . 11225 1 596 . 1 1 53 53 ASP C C 13 177.286 0.300 . 1 . . . . 53 ASP C . 11225 1 597 . 1 1 53 53 ASP CA C 13 53.314 0.300 . 1 . . . . 53 ASP CA . 11225 1 598 . 1 1 53 53 ASP CB C 13 42.190 0.300 . 1 . . . . 53 ASP CB . 11225 1 599 . 1 1 53 53 ASP N N 15 126.108 0.300 . 1 . . . . 53 ASP N . 11225 1 600 . 1 1 54 54 GLY H H 1 9.086 0.030 . 1 . . . . 54 GLY H . 11225 1 601 . 1 1 54 54 GLY HA2 H 1 4.172 0.030 . 2 . . . . 54 GLY HA2 . 11225 1 602 . 1 1 54 54 GLY HA3 H 1 4.255 0.030 . 2 . . . . 54 GLY HA3 . 11225 1 603 . 1 1 54 54 GLY C C 13 170.996 0.300 . 1 . . . . 54 GLY C . 11225 1 604 . 1 1 54 54 GLY CA C 13 46.238 0.300 . 1 . . . . 54 GLY CA . 11225 1 605 . 1 1 54 54 GLY N N 15 110.567 0.300 . 1 . . . . 54 GLY N . 11225 1 606 . 1 1 55 55 LEU H H 1 8.718 0.030 . 1 . . . . 55 LEU H . 11225 1 607 . 1 1 55 55 LEU HA H 1 5.508 0.030 . 1 . . . . 55 LEU HA . 11225 1 608 . 1 1 55 55 LEU HB2 H 1 1.636 0.030 . 2 . . . . 55 LEU HB2 . 11225 1 609 . 1 1 55 55 LEU HB3 H 1 1.435 0.030 . 2 . . . . 55 LEU HB3 . 11225 1 610 . 1 1 55 55 LEU HD11 H 1 0.381 0.030 . 1 . . . . 55 LEU HD1 . 11225 1 611 . 1 1 55 55 LEU HD12 H 1 0.381 0.030 . 1 . . . . 55 LEU HD1 . 11225 1 612 . 1 1 55 55 LEU HD13 H 1 0.381 0.030 . 1 . . . . 55 LEU HD1 . 11225 1 613 . 1 1 55 55 LEU HD21 H 1 0.753 0.030 . 1 . . . . 55 LEU HD2 . 11225 1 614 . 1 1 55 55 LEU HD22 H 1 0.753 0.030 . 1 . . . . 55 LEU HD2 . 11225 1 615 . 1 1 55 55 LEU HD23 H 1 0.753 0.030 . 1 . . . . 55 LEU HD2 . 11225 1 616 . 1 1 55 55 LEU HG H 1 1.554 0.030 . 1 . . . . 55 LEU HG . 11225 1 617 . 1 1 55 55 LEU C C 13 177.652 0.300 . 1 . . . . 55 LEU C . 11225 1 618 . 1 1 55 55 LEU CA C 13 54.343 0.300 . 1 . . . . 55 LEU CA . 11225 1 619 . 1 1 55 55 LEU CB C 13 45.176 0.300 . 1 . . . . 55 LEU CB . 11225 1 620 . 1 1 55 55 LEU CD1 C 13 25.487 0.300 . 2 . . . . 55 LEU CD1 . 11225 1 621 . 1 1 55 55 LEU CD2 C 13 22.971 0.300 . 2 . . . . 55 LEU CD2 . 11225 1 622 . 1 1 55 55 LEU CG C 13 27.067 0.300 . 1 . . . . 55 LEU CG . 11225 1 623 . 1 1 55 55 LEU N N 15 120.139 0.300 . 1 . . . . 55 LEU N . 11225 1 624 . 1 1 56 56 ILE H H 1 9.684 0.030 . 1 . . . . 56 ILE H . 11225 1 625 . 1 1 56 56 ILE HA H 1 4.930 0.030 . 1 . . . . 56 ILE HA . 11225 1 626 . 1 1 56 56 ILE HB H 1 1.590 0.030 . 1 . . . . 56 ILE HB . 11225 1 627 . 1 1 56 56 ILE HD11 H 1 0.632 0.030 . 1 . . . . 56 ILE HD1 . 11225 1 628 . 1 1 56 56 ILE HD12 H 1 0.632 0.030 . 1 . . . . 56 ILE HD1 . 11225 1 629 . 1 1 56 56 ILE HD13 H 1 0.632 0.030 . 1 . . . . 56 ILE HD1 . 11225 1 630 . 1 1 56 56 ILE HG12 H 1 1.731 0.030 . 2 . . . . 56 ILE HG12 . 11225 1 631 . 1 1 56 56 ILE HG13 H 1 0.844 0.030 . 2 . . . . 56 ILE HG13 . 11225 1 632 . 1 1 56 56 ILE HG21 H 1 0.655 0.030 . 1 . . . . 56 ILE HG2 . 11225 1 633 . 1 1 56 56 ILE HG22 H 1 0.655 0.030 . 1 . . . . 56 ILE HG2 . 11225 1 634 . 1 1 56 56 ILE HG23 H 1 0.655 0.030 . 1 . . . . 56 ILE HG2 . 11225 1 635 . 1 1 56 56 ILE C C 13 173.800 0.300 . 1 . . . . 56 ILE C . 11225 1 636 . 1 1 56 56 ILE CA C 13 57.931 0.300 . 1 . . . . 56 ILE CA . 11225 1 637 . 1 1 56 56 ILE CB C 13 44.511 0.300 . 1 . . . . 56 ILE CB . 11225 1 638 . 1 1 56 56 ILE CD1 C 13 15.525 0.300 . 1 . . . . 56 ILE CD1 . 11225 1 639 . 1 1 56 56 ILE CG1 C 13 29.026 0.300 . 1 . . . . 56 ILE CG1 . 11225 1 640 . 1 1 56 56 ILE CG2 C 13 17.924 0.300 . 1 . . . . 56 ILE CG2 . 11225 1 641 . 1 1 56 56 ILE N N 15 121.100 0.300 . 1 . . . . 56 ILE N . 11225 1 642 . 1 1 57 57 PRO HA H 1 4.180 0.030 . 1 . . . . 57 PRO HA . 11225 1 643 . 1 1 57 57 PRO HB2 H 1 1.507 0.030 . 2 . . . . 57 PRO HB2 . 11225 1 644 . 1 1 57 57 PRO HB3 H 1 1.000 0.030 . 2 . . . . 57 PRO HB3 . 11225 1 645 . 1 1 57 57 PRO HD2 H 1 3.542 0.030 . 2 . . . . 57 PRO HD2 . 11225 1 646 . 1 1 57 57 PRO HD3 H 1 3.835 0.030 . 2 . . . . 57 PRO HD3 . 11225 1 647 . 1 1 57 57 PRO HG2 H 1 1.243 0.030 . 2 . . . . 57 PRO HG2 . 11225 1 648 . 1 1 57 57 PRO HG3 H 1 0.199 0.030 . 2 . . . . 57 PRO HG3 . 11225 1 649 . 1 1 57 57 PRO C C 13 177.493 0.300 . 1 . . . . 57 PRO C . 11225 1 650 . 1 1 57 57 PRO CA C 13 61.862 0.300 . 1 . . . . 57 PRO CA . 11225 1 651 . 1 1 57 57 PRO CB C 13 30.579 0.300 . 1 . . . . 57 PRO CB . 11225 1 652 . 1 1 57 57 PRO CD C 13 51.318 0.300 . 1 . . . . 57 PRO CD . 11225 1 653 . 1 1 57 57 PRO CG C 13 25.587 0.300 . 1 . . . . 57 PRO CG . 11225 1 654 . 1 1 58 58 HIS H H 1 8.231 0.030 . 1 . . . . 58 HIS H . 11225 1 655 . 1 1 58 58 HIS HA H 1 4.271 0.030 . 1 . . . . 58 HIS HA . 11225 1 656 . 1 1 58 58 HIS HB2 H 1 2.971 0.030 . 2 . . . . 58 HIS HB2 . 11225 1 657 . 1 1 58 58 HIS HB3 H 1 2.881 0.030 . 2 . . . . 58 HIS HB3 . 11225 1 658 . 1 1 58 58 HIS HD2 H 1 6.923 0.030 . 1 . . . . 58 HIS HD2 . 11225 1 659 . 1 1 58 58 HIS HE1 H 1 7.880 0.030 . 1 . . . . 58 HIS HE1 . 11225 1 660 . 1 1 58 58 HIS C C 13 176.876 0.300 . 1 . . . . 58 HIS C . 11225 1 661 . 1 1 58 58 HIS CA C 13 60.239 0.300 . 1 . . . . 58 HIS CA . 11225 1 662 . 1 1 58 58 HIS CB C 13 32.652 0.300 . 1 . . . . 58 HIS CB . 11225 1 663 . 1 1 58 58 HIS CD2 C 13 117.153 0.300 . 1 . . . . 58 HIS CD2 . 11225 1 664 . 1 1 58 58 HIS CE1 C 13 138.007 0.300 . 1 . . . . 58 HIS CE1 . 11225 1 665 . 1 1 58 58 HIS N N 15 125.183 0.300 . 1 . . . . 58 HIS N . 11225 1 666 . 1 1 59 59 GLN H H 1 8.948 0.030 . 1 . . . . 59 GLN H . 11225 1 667 . 1 1 59 59 GLN HA H 1 4.018 0.030 . 1 . . . . 59 GLN HA . 11225 1 668 . 1 1 59 59 GLN HB2 H 1 2.025 0.030 . 2 . . . . 59 GLN HB2 . 11225 1 669 . 1 1 59 59 GLN HB3 H 1 1.909 0.030 . 2 . . . . 59 GLN HB3 . 11225 1 670 . 1 1 59 59 GLN HE21 H 1 7.562 0.030 . 2 . . . . 59 GLN HE21 . 11225 1 671 . 1 1 59 59 GLN HE22 H 1 6.902 0.030 . 2 . . . . 59 GLN HE22 . 11225 1 672 . 1 1 59 59 GLN HG2 H 1 2.376 0.030 . 1 . . . . 59 GLN HG2 . 11225 1 673 . 1 1 59 59 GLN HG3 H 1 2.376 0.030 . 1 . . . . 59 GLN HG3 . 11225 1 674 . 1 1 59 59 GLN C C 13 175.963 0.300 . 1 . . . . 59 GLN C . 11225 1 675 . 1 1 59 59 GLN CA C 13 57.696 0.300 . 1 . . . . 59 GLN CA . 11225 1 676 . 1 1 59 59 GLN CB C 13 27.895 0.300 . 1 . . . . 59 GLN CB . 11225 1 677 . 1 1 59 59 GLN CG C 13 34.043 0.300 . 1 . . . . 59 GLN CG . 11225 1 678 . 1 1 59 59 GLN N N 15 112.328 0.300 . 1 . . . . 59 GLN N . 11225 1 679 . 1 1 59 59 GLN NE2 N 15 112.389 0.300 . 1 . . . . 59 GLN NE2 . 11225 1 680 . 1 1 60 60 TYR H H 1 7.516 0.030 . 1 . . . . 60 TYR H . 11225 1 681 . 1 1 60 60 TYR HA H 1 4.538 0.030 . 1 . . . . 60 TYR HA . 11225 1 682 . 1 1 60 60 TYR HB2 H 1 2.861 0.030 . 2 . . . . 60 TYR HB2 . 11225 1 683 . 1 1 60 60 TYR HB3 H 1 3.717 0.030 . 2 . . . . 60 TYR HB3 . 11225 1 684 . 1 1 60 60 TYR HD1 H 1 6.971 0.030 . 1 . . . . 60 TYR HD1 . 11225 1 685 . 1 1 60 60 TYR HD2 H 1 6.971 0.030 . 1 . . . . 60 TYR HD2 . 11225 1 686 . 1 1 60 60 TYR HE1 H 1 6.954 0.030 . 1 . . . . 60 TYR HE1 . 11225 1 687 . 1 1 60 60 TYR HE2 H 1 6.954 0.030 . 1 . . . . 60 TYR HE2 . 11225 1 688 . 1 1 60 60 TYR C C 13 174.775 0.300 . 1 . . . . 60 TYR C . 11225 1 689 . 1 1 60 60 TYR CA C 13 58.571 0.300 . 1 . . . . 60 TYR CA . 11225 1 690 . 1 1 60 60 TYR CB C 13 38.772 0.300 . 1 . . . . 60 TYR CB . 11225 1 691 . 1 1 60 60 TYR CD1 C 13 132.778 0.300 . 1 . . . . 60 TYR CD1 . 11225 1 692 . 1 1 60 60 TYR CD2 C 13 132.778 0.300 . 1 . . . . 60 TYR CD2 . 11225 1 693 . 1 1 60 60 TYR CE1 C 13 118.391 0.300 . 1 . . . . 60 TYR CE1 . 11225 1 694 . 1 1 60 60 TYR CE2 C 13 118.391 0.300 . 1 . . . . 60 TYR CE2 . 11225 1 695 . 1 1 60 60 TYR N N 15 115.474 0.300 . 1 . . . . 60 TYR N . 11225 1 696 . 1 1 61 61 ILE H H 1 7.198 0.030 . 1 . . . . 61 ILE H . 11225 1 697 . 1 1 61 61 ILE HA H 1 4.947 0.030 . 1 . . . . 61 ILE HA . 11225 1 698 . 1 1 61 61 ILE HB H 1 1.343 0.030 . 1 . . . . 61 ILE HB . 11225 1 699 . 1 1 61 61 ILE HD11 H 1 0.200 0.030 . 1 . . . . 61 ILE HD1 . 11225 1 700 . 1 1 61 61 ILE HD12 H 1 0.200 0.030 . 1 . . . . 61 ILE HD1 . 11225 1 701 . 1 1 61 61 ILE HD13 H 1 0.200 0.030 . 1 . . . . 61 ILE HD1 . 11225 1 702 . 1 1 61 61 ILE HG12 H 1 1.054 0.030 . 2 . . . . 61 ILE HG12 . 11225 1 703 . 1 1 61 61 ILE HG13 H 1 1.017 0.030 . 2 . . . . 61 ILE HG13 . 11225 1 704 . 1 1 61 61 ILE HG21 H 1 0.369 0.030 . 1 . . . . 61 ILE HG2 . 11225 1 705 . 1 1 61 61 ILE HG22 H 1 0.369 0.030 . 1 . . . . 61 ILE HG2 . 11225 1 706 . 1 1 61 61 ILE HG23 H 1 0.369 0.030 . 1 . . . . 61 ILE HG2 . 11225 1 707 . 1 1 61 61 ILE C C 13 174.243 0.300 . 1 . . . . 61 ILE C . 11225 1 708 . 1 1 61 61 ILE CA C 13 59.530 0.300 . 1 . . . . 61 ILE CA . 11225 1 709 . 1 1 61 61 ILE CB C 13 42.184 0.300 . 1 . . . . 61 ILE CB . 11225 1 710 . 1 1 61 61 ILE CD1 C 13 14.929 0.300 . 1 . . . . 61 ILE CD1 . 11225 1 711 . 1 1 61 61 ILE CG1 C 13 24.709 0.300 . 1 . . . . 61 ILE CG1 . 11225 1 712 . 1 1 61 61 ILE CG2 C 13 18.770 0.300 . 1 . . . . 61 ILE CG2 . 11225 1 713 . 1 1 61 61 ILE N N 15 113.031 0.300 . 1 . . . . 61 ILE N . 11225 1 714 . 1 1 62 62 VAL H H 1 8.737 0.030 . 1 . . . . 62 VAL H . 11225 1 715 . 1 1 62 62 VAL HA H 1 4.157 0.030 . 1 . . . . 62 VAL HA . 11225 1 716 . 1 1 62 62 VAL HB H 1 1.838 0.030 . 1 . . . . 62 VAL HB . 11225 1 717 . 1 1 62 62 VAL HG11 H 1 0.780 0.030 . 1 . . . . 62 VAL HG1 . 11225 1 718 . 1 1 62 62 VAL HG12 H 1 0.780 0.030 . 1 . . . . 62 VAL HG1 . 11225 1 719 . 1 1 62 62 VAL HG13 H 1 0.780 0.030 . 1 . . . . 62 VAL HG1 . 11225 1 720 . 1 1 62 62 VAL HG21 H 1 0.750 0.030 . 1 . . . . 62 VAL HG2 . 11225 1 721 . 1 1 62 62 VAL HG22 H 1 0.750 0.030 . 1 . . . . 62 VAL HG2 . 11225 1 722 . 1 1 62 62 VAL HG23 H 1 0.750 0.030 . 1 . . . . 62 VAL HG2 . 11225 1 723 . 1 1 62 62 VAL C C 13 175.594 0.300 . 1 . . . . 62 VAL C . 11225 1 724 . 1 1 62 62 VAL CA C 13 61.479 0.300 . 1 . . . . 62 VAL CA . 11225 1 725 . 1 1 62 62 VAL CB C 13 33.648 0.300 . 1 . . . . 62 VAL CB . 11225 1 726 . 1 1 62 62 VAL CG1 C 13 20.645 0.300 . 2 . . . . 62 VAL CG1 . 11225 1 727 . 1 1 62 62 VAL CG2 C 13 20.868 0.300 . 2 . . . . 62 VAL CG2 . 11225 1 728 . 1 1 62 62 VAL N N 15 121.134 0.300 . 1 . . . . 62 VAL N . 11225 1 729 . 1 1 63 63 VAL H H 1 8.616 0.030 . 1 . . . . 63 VAL H . 11225 1 730 . 1 1 63 63 VAL HA H 1 3.868 0.030 . 1 . . . . 63 VAL HA . 11225 1 731 . 1 1 63 63 VAL HB H 1 1.943 0.030 . 1 . . . . 63 VAL HB . 11225 1 732 . 1 1 63 63 VAL HG11 H 1 0.846 0.030 . 1 . . . . 63 VAL HG1 . 11225 1 733 . 1 1 63 63 VAL HG12 H 1 0.846 0.030 . 1 . . . . 63 VAL HG1 . 11225 1 734 . 1 1 63 63 VAL HG13 H 1 0.846 0.030 . 1 . . . . 63 VAL HG1 . 11225 1 735 . 1 1 63 63 VAL HG21 H 1 0.759 0.030 . 1 . . . . 63 VAL HG2 . 11225 1 736 . 1 1 63 63 VAL HG22 H 1 0.759 0.030 . 1 . . . . 63 VAL HG2 . 11225 1 737 . 1 1 63 63 VAL HG23 H 1 0.759 0.030 . 1 . . . . 63 VAL HG2 . 11225 1 738 . 1 1 63 63 VAL C C 13 175.826 0.300 . 1 . . . . 63 VAL C . 11225 1 739 . 1 1 63 63 VAL CA C 13 62.813 0.300 . 1 . . . . 63 VAL CA . 11225 1 740 . 1 1 63 63 VAL CB C 13 32.563 0.300 . 1 . . . . 63 VAL CB . 11225 1 741 . 1 1 63 63 VAL CG1 C 13 21.384 0.300 . 2 . . . . 63 VAL CG1 . 11225 1 742 . 1 1 63 63 VAL CG2 C 13 21.212 0.300 . 2 . . . . 63 VAL CG2 . 11225 1 743 . 1 1 63 63 VAL N N 15 128.281 0.300 . 1 . . . . 63 VAL N . 11225 1 744 . 1 1 64 64 GLN H H 1 8.516 0.030 . 1 . . . . 64 GLN H . 11225 1 745 . 1 1 64 64 GLN HA H 1 4.322 0.030 . 1 . . . . 64 GLN HA . 11225 1 746 . 1 1 64 64 GLN HB2 H 1 2.033 0.030 . 2 . . . . 64 GLN HB2 . 11225 1 747 . 1 1 64 64 GLN HB3 H 1 1.913 0.030 . 2 . . . . 64 GLN HB3 . 11225 1 748 . 1 1 64 64 GLN HE21 H 1 7.201 0.030 . 2 . . . . 64 GLN HE21 . 11225 1 749 . 1 1 64 64 GLN HE22 H 1 6.880 0.030 . 2 . . . . 64 GLN HE22 . 11225 1 750 . 1 1 64 64 GLN HG2 H 1 2.186 0.030 . 2 . . . . 64 GLN HG2 . 11225 1 751 . 1 1 64 64 GLN HG3 H 1 2.259 0.030 . 2 . . . . 64 GLN HG3 . 11225 1 752 . 1 1 64 64 GLN C C 13 175.119 0.300 . 1 . . . . 64 GLN C . 11225 1 753 . 1 1 64 64 GLN CA C 13 55.479 0.300 . 1 . . . . 64 GLN CA . 11225 1 754 . 1 1 64 64 GLN CB C 13 29.437 0.300 . 1 . . . . 64 GLN CB . 11225 1 755 . 1 1 64 64 GLN CG C 13 33.813 0.300 . 1 . . . . 64 GLN CG . 11225 1 756 . 1 1 64 64 GLN N N 15 126.278 0.300 . 1 . . . . 64 GLN N . 11225 1 757 . 1 1 64 64 GLN NE2 N 15 112.500 0.300 . 1 . . . . 64 GLN NE2 . 11225 1 758 . 1 1 65 65 ASP H H 1 8.394 0.030 . 1 . . . . 65 ASP H . 11225 1 759 . 1 1 65 65 ASP HA H 1 4.719 0.030 . 1 . . . . 65 ASP HA . 11225 1 760 . 1 1 65 65 ASP HB2 H 1 2.741 0.030 . 2 . . . . 65 ASP HB2 . 11225 1 761 . 1 1 65 65 ASP HB3 H 1 2.667 0.030 . 2 . . . . 65 ASP HB3 . 11225 1 762 . 1 1 65 65 ASP C C 13 176.680 0.300 . 1 . . . . 65 ASP C . 11225 1 763 . 1 1 65 65 ASP CA C 13 54.214 0.300 . 1 . . . . 65 ASP CA . 11225 1 764 . 1 1 65 65 ASP CB C 13 41.413 0.300 . 1 . . . . 65 ASP CB . 11225 1 765 . 1 1 65 65 ASP N N 15 122.810 0.300 . 1 . . . . 65 ASP N . 11225 1 766 . 1 1 66 66 THR H H 1 8.287 0.030 . 1 . . . . 66 THR H . 11225 1 767 . 1 1 66 66 THR HA H 1 4.419 0.030 . 1 . . . . 66 THR HA . 11225 1 768 . 1 1 66 66 THR HB H 1 4.380 0.030 . 1 . . . . 66 THR HB . 11225 1 769 . 1 1 66 66 THR HG21 H 1 1.212 0.030 . 1 . . . . 66 THR HG2 . 11225 1 770 . 1 1 66 66 THR HG22 H 1 1.212 0.030 . 1 . . . . 66 THR HG2 . 11225 1 771 . 1 1 66 66 THR HG23 H 1 1.212 0.030 . 1 . . . . 66 THR HG2 . 11225 1 772 . 1 1 66 66 THR C C 13 174.901 0.300 . 1 . . . . 66 THR C . 11225 1 773 . 1 1 66 66 THR CA C 13 61.652 0.300 . 1 . . . . 66 THR CA . 11225 1 774 . 1 1 66 66 THR CB C 13 69.446 0.300 . 1 . . . . 66 THR CB . 11225 1 775 . 1 1 66 66 THR CG2 C 13 21.607 0.300 . 1 . . . . 66 THR CG2 . 11225 1 776 . 1 1 66 66 THR N N 15 114.854 0.300 . 1 . . . . 66 THR N . 11225 1 777 . 1 1 67 67 SER H H 1 8.434 0.030 . 1 . . . . 67 SER H . 11225 1 778 . 1 1 67 67 SER HA H 1 4.488 0.030 . 1 . . . . 67 SER HA . 11225 1 779 . 1 1 67 67 SER HB2 H 1 3.922 0.030 . 1 . . . . 67 SER HB2 . 11225 1 780 . 1 1 67 67 SER HB3 H 1 3.922 0.030 . 1 . . . . 67 SER HB3 . 11225 1 781 . 1 1 67 67 SER C C 13 174.665 0.300 . 1 . . . . 67 SER C . 11225 1 782 . 1 1 67 67 SER CA C 13 58.805 0.300 . 1 . . . . 67 SER CA . 11225 1 783 . 1 1 67 67 SER CB C 13 64.011 0.300 . 1 . . . . 67 SER CB . 11225 1 784 . 1 1 67 67 SER N N 15 118.334 0.300 . 1 . . . . 67 SER N . 11225 1 785 . 1 1 68 68 GLY H H 1 8.249 0.030 . 1 . . . . 68 GLY H . 11225 1 786 . 1 1 68 68 GLY HA2 H 1 4.175 0.030 . 2 . . . . 68 GLY HA2 . 11225 1 787 . 1 1 68 68 GLY HA3 H 1 4.084 0.030 . 2 . . . . 68 GLY HA3 . 11225 1 788 . 1 1 68 68 GLY C C 13 171.799 0.300 . 1 . . . . 68 GLY C . 11225 1 789 . 1 1 68 68 GLY CA C 13 44.655 0.300 . 1 . . . . 68 GLY CA . 11225 1 790 . 1 1 68 68 GLY N N 15 110.668 0.300 . 1 . . . . 68 GLY N . 11225 1 791 . 1 1 69 69 PRO HA H 1 4.491 0.030 . 1 . . . . 69 PRO HA . 11225 1 792 . 1 1 69 69 PRO HB2 H 1 1.983 0.030 . 2 . . . . 69 PRO HB2 . 11225 1 793 . 1 1 69 69 PRO HB3 H 1 2.300 0.030 . 2 . . . . 69 PRO HB3 . 11225 1 794 . 1 1 69 69 PRO HD2 H 1 3.634 0.030 . 1 . . . . 69 PRO HD2 . 11225 1 795 . 1 1 69 69 PRO HD3 H 1 3.634 0.030 . 1 . . . . 69 PRO HD3 . 11225 1 796 . 1 1 69 69 PRO HG2 H 1 2.031 0.030 . 1 . . . . 69 PRO HG2 . 11225 1 797 . 1 1 69 69 PRO HG3 H 1 2.031 0.030 . 1 . . . . 69 PRO HG3 . 11225 1 798 . 1 1 69 69 PRO C C 13 177.432 0.300 . 1 . . . . 69 PRO C . 11225 1 799 . 1 1 69 69 PRO CA C 13 63.180 0.300 . 1 . . . . 69 PRO CA . 11225 1 800 . 1 1 69 69 PRO CB C 13 32.144 0.300 . 1 . . . . 69 PRO CB . 11225 1 801 . 1 1 69 69 PRO CD C 13 49.823 0.300 . 1 . . . . 69 PRO CD . 11225 1 802 . 1 1 69 69 PRO CG C 13 27.115 0.300 . 1 . . . . 69 PRO CG . 11225 1 803 . 1 1 70 70 SER H H 1 8.527 0.030 . 1 . . . . 70 SER H . 11225 1 804 . 1 1 70 70 SER HA H 1 4.520 0.030 . 1 . . . . 70 SER HA . 11225 1 805 . 1 1 70 70 SER HB2 H 1 3.922 0.030 . 1 . . . . 70 SER HB2 . 11225 1 806 . 1 1 70 70 SER HB3 H 1 3.922 0.030 . 1 . . . . 70 SER HB3 . 11225 1 807 . 1 1 70 70 SER C C 13 174.731 0.300 . 1 . . . . 70 SER C . 11225 1 808 . 1 1 70 70 SER CA C 13 58.422 0.300 . 1 . . . . 70 SER CA . 11225 1 809 . 1 1 70 70 SER CB C 13 63.807 0.300 . 1 . . . . 70 SER CB . 11225 1 810 . 1 1 70 70 SER N N 15 116.494 0.300 . 1 . . . . 70 SER N . 11225 1 811 . 1 1 71 71 SER H H 1 8.348 0.030 . 1 . . . . 71 SER H . 11225 1 812 . 1 1 71 71 SER HA H 1 4.505 0.030 . 1 . . . . 71 SER HA . 11225 1 813 . 1 1 71 71 SER HB2 H 1 3.906 0.030 . 1 . . . . 71 SER HB2 . 11225 1 814 . 1 1 71 71 SER HB3 H 1 3.906 0.030 . 1 . . . . 71 SER HB3 . 11225 1 815 . 1 1 71 71 SER C C 13 173.963 0.300 . 1 . . . . 71 SER C . 11225 1 816 . 1 1 71 71 SER CA C 13 58.422 0.300 . 1 . . . . 71 SER CA . 11225 1 817 . 1 1 71 71 SER CB C 13 63.943 0.300 . 1 . . . . 71 SER CB . 11225 1 818 . 1 1 71 71 SER N N 15 117.953 0.300 . 1 . . . . 71 SER N . 11225 1 819 . 1 1 72 72 GLY H H 1 8.055 0.030 . 1 . . . . 72 GLY H . 11225 1 820 . 1 1 72 72 GLY HA2 H 1 3.801 0.030 . 2 . . . . 72 GLY HA2 . 11225 1 821 . 1 1 72 72 GLY HA3 H 1 3.767 0.030 . 2 . . . . 72 GLY HA3 . 11225 1 822 . 1 1 72 72 GLY C C 13 178.995 0.300 . 1 . . . . 72 GLY C . 11225 1 823 . 1 1 72 72 GLY CA C 13 46.163 0.300 . 1 . . . . 72 GLY CA . 11225 1 824 . 1 1 72 72 GLY N N 15 116.888 0.300 . 1 . . . . 72 GLY N . 11225 1 stop_ save_