data_10056 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10056 _Entry.Title ; Solution structure of the Ras-binding domain of mouse RGS14 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-11-29 _Entry.Accession_date 2006-11-30 _Entry.Last_release_date 2008-08-13 _Entry.Original_release_date 2008-08-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 T. Nakanishi . . . 10056 2 N. Tochio . . . 10056 3 S. Koshiba . . . 10056 4 M. Inoue . . . 10056 5 T. Kigawa . . . 10056 6 S. Yokoyama . . . 10056 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10056 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10056 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 410 10056 '15N chemical shifts' 88 10056 '1H chemical shifts' 675 10056 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 . . 2008-08-13 2006-11-29 original author . 10056 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1WFY 'BMRB Entry Tracking System' 10056 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10056 _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 Ras-binding domain of mouse RGS14' _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 T. Nakanishi . . . 10056 1 2 N. Tochio . . . 10056 1 3 S. Koshiba . . . 10056 1 4 M. Inoue . . . 10056 1 5 T. Kigawa . . . 10056 1 6 S. Yokoyama . . . 10056 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10056 _Assembly.ID 1 _Assembly.Name 'regulator of G-protein signaling 14; rap1/rap2 interacting protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10056 1 stop_ 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 'regulator of G-protein signaling 14; rap1/rap2 interacting protein' 1 $entity_1 . . yes native no no . . . 10056 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1WFY . . . . . . 10056 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10056 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Raf-like Ras-binding domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGDQEVRLENRITFQ LELVGLERVVRISAKPTKRL QEALQPILAKHGLSLDQVVL HRPGEKQPMDLENPVSSVAS QTLVLDTPPDAKMSEARSSG PSSG ; _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 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2014-05-12 loop_ _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 no PDB 1WFY . "Solution Structure Of The Ras-Binding Domain Of Mouse Rgs14" . . . . . 100.00 104 100.00 100.00 8.66e-66 . . . . 10056 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Raf-like Ras-binding domain' . 10056 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 . 10056 1 2 . SER . 10056 1 3 . SER . 10056 1 4 . GLY . 10056 1 5 . SER . 10056 1 6 . SER . 10056 1 7 . GLY . 10056 1 8 . ASP . 10056 1 9 . GLN . 10056 1 10 . GLU . 10056 1 11 . VAL . 10056 1 12 . ARG . 10056 1 13 . LEU . 10056 1 14 . GLU . 10056 1 15 . ASN . 10056 1 16 . ARG . 10056 1 17 . ILE . 10056 1 18 . THR . 10056 1 19 . PHE . 10056 1 20 . GLN . 10056 1 21 . LEU . 10056 1 22 . GLU . 10056 1 23 . LEU . 10056 1 24 . VAL . 10056 1 25 . GLY . 10056 1 26 . LEU . 10056 1 27 . GLU . 10056 1 28 . ARG . 10056 1 29 . VAL . 10056 1 30 . VAL . 10056 1 31 . ARG . 10056 1 32 . ILE . 10056 1 33 . SER . 10056 1 34 . ALA . 10056 1 35 . LYS . 10056 1 36 . PRO . 10056 1 37 . THR . 10056 1 38 . LYS . 10056 1 39 . ARG . 10056 1 40 . LEU . 10056 1 41 . GLN . 10056 1 42 . GLU . 10056 1 43 . ALA . 10056 1 44 . LEU . 10056 1 45 . GLN . 10056 1 46 . PRO . 10056 1 47 . ILE . 10056 1 48 . LEU . 10056 1 49 . ALA . 10056 1 50 . LYS . 10056 1 51 . HIS . 10056 1 52 . GLY . 10056 1 53 . LEU . 10056 1 54 . SER . 10056 1 55 . LEU . 10056 1 56 . ASP . 10056 1 57 . GLN . 10056 1 58 . VAL . 10056 1 59 . VAL . 10056 1 60 . LEU . 10056 1 61 . HIS . 10056 1 62 . ARG . 10056 1 63 . PRO . 10056 1 64 . GLY . 10056 1 65 . GLU . 10056 1 66 . LYS . 10056 1 67 . GLN . 10056 1 68 . PRO . 10056 1 69 . MET . 10056 1 70 . ASP . 10056 1 71 . LEU . 10056 1 72 . GLU . 10056 1 73 . ASN . 10056 1 74 . PRO . 10056 1 75 . VAL . 10056 1 76 . SER . 10056 1 77 . SER . 10056 1 78 . VAL . 10056 1 79 . ALA . 10056 1 80 . SER . 10056 1 81 . GLN . 10056 1 82 . THR . 10056 1 83 . LEU . 10056 1 84 . VAL . 10056 1 85 . LEU . 10056 1 86 . ASP . 10056 1 87 . THR . 10056 1 88 . PRO . 10056 1 89 . PRO . 10056 1 90 . ASP . 10056 1 91 . ALA . 10056 1 92 . LYS . 10056 1 93 . MET . 10056 1 94 . SER . 10056 1 95 . GLU . 10056 1 96 . ALA . 10056 1 97 . ARG . 10056 1 98 . SER . 10056 1 99 . SER . 10056 1 100 . GLY . 10056 1 101 . PRO . 10056 1 102 . SER . 10056 1 103 . SER . 10056 1 104 . GLY . 10056 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 10056 1 . SER 2 2 10056 1 . SER 3 3 10056 1 . GLY 4 4 10056 1 . SER 5 5 10056 1 . SER 6 6 10056 1 . GLY 7 7 10056 1 . ASP 8 8 10056 1 . GLN 9 9 10056 1 . GLU 10 10 10056 1 . VAL 11 11 10056 1 . ARG 12 12 10056 1 . LEU 13 13 10056 1 . GLU 14 14 10056 1 . ASN 15 15 10056 1 . ARG 16 16 10056 1 . ILE 17 17 10056 1 . THR 18 18 10056 1 . PHE 19 19 10056 1 . GLN 20 20 10056 1 . LEU 21 21 10056 1 . GLU 22 22 10056 1 . LEU 23 23 10056 1 . VAL 24 24 10056 1 . GLY 25 25 10056 1 . LEU 26 26 10056 1 . GLU 27 27 10056 1 . ARG 28 28 10056 1 . VAL 29 29 10056 1 . VAL 30 30 10056 1 . ARG 31 31 10056 1 . ILE 32 32 10056 1 . SER 33 33 10056 1 . ALA 34 34 10056 1 . LYS 35 35 10056 1 . PRO 36 36 10056 1 . THR 37 37 10056 1 . LYS 38 38 10056 1 . ARG 39 39 10056 1 . LEU 40 40 10056 1 . GLN 41 41 10056 1 . GLU 42 42 10056 1 . ALA 43 43 10056 1 . LEU 44 44 10056 1 . GLN 45 45 10056 1 . PRO 46 46 10056 1 . ILE 47 47 10056 1 . LEU 48 48 10056 1 . ALA 49 49 10056 1 . LYS 50 50 10056 1 . HIS 51 51 10056 1 . GLY 52 52 10056 1 . LEU 53 53 10056 1 . SER 54 54 10056 1 . LEU 55 55 10056 1 . ASP 56 56 10056 1 . GLN 57 57 10056 1 . VAL 58 58 10056 1 . VAL 59 59 10056 1 . LEU 60 60 10056 1 . HIS 61 61 10056 1 . ARG 62 62 10056 1 . PRO 63 63 10056 1 . GLY 64 64 10056 1 . GLU 65 65 10056 1 . LYS 66 66 10056 1 . GLN 67 67 10056 1 . PRO 68 68 10056 1 . MET 69 69 10056 1 . ASP 70 70 10056 1 . LEU 71 71 10056 1 . GLU 72 72 10056 1 . ASN 73 73 10056 1 . PRO 74 74 10056 1 . VAL 75 75 10056 1 . SER 76 76 10056 1 . SER 77 77 10056 1 . VAL 78 78 10056 1 . ALA 79 79 10056 1 . SER 80 80 10056 1 . GLN 81 81 10056 1 . THR 82 82 10056 1 . LEU 83 83 10056 1 . VAL 84 84 10056 1 . LEU 85 85 10056 1 . ASP 86 86 10056 1 . THR 87 87 10056 1 . PRO 88 88 10056 1 . PRO 89 89 10056 1 . ASP 90 90 10056 1 . ALA 91 91 10056 1 . LYS 92 92 10056 1 . MET 93 93 10056 1 . SER 94 94 10056 1 . GLU 95 95 10056 1 . ALA 96 96 10056 1 . ARG 97 97 10056 1 . SER 98 98 10056 1 . SER 99 99 10056 1 . GLY 100 100 10056 1 . PRO 101 101 10056 1 . SER 102 102 10056 1 . SER 103 103 10056 1 . GLY 104 104 10056 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 10056 _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 . 10090 . . . mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 10056 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 10056 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . plasmid . . P030120-12 . . . . . . 10056 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10056 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 RBD '[U-13C; U-15N]' . . 1 $entity_1 . . 0.18 . . mM . . . . 10056 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10056 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10056 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10056 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10056 1 6 H2O . . . . . . solvent 90 . . % . . . . 10056 1 7 D2O . . . . . . solvent 10 . . % . . . . 10056 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 10056 _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 10056 1 pH 7.5 0.05 pH 10056 1 pressure 1 0.001 atm 10056 1 temperature 298 0.1 K 10056 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10056 _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 . . 10056 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10056 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10056 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10056 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10056 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10056 _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.' . . 10056 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10056 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10056 _Software.ID 4 _Software.Name Kujira _Software.Version 0.870 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10056 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10056 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10056 _Software.ID 5 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10056 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10056 5 'structure solution' 10056 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 10056 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10056 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10056 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10056 1 stop_ save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10056 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10056 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 10056 _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 . . . . . . . . . 10056 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10056 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10056 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 10056 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 13C-separated NOESY' 1 $sample_1 isotropic 10056 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10056 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 7 7 GLY HA2 H 1 4.005 0.030 . 1 . . . . 7 GLY HA2 . 10056 1 2 . 1 1 7 7 GLY HA3 H 1 4.005 0.030 . 1 . . . . 7 GLY HA3 . 10056 1 3 . 1 1 7 7 GLY C C 13 174.161 0.300 . 1 . . . . 7 GLY C . 10056 1 4 . 1 1 7 7 GLY CA C 13 45.532 0.300 . 1 . . . . 7 GLY CA . 10056 1 5 . 1 1 8 8 ASP H H 1 8.240 0.030 . 1 . . . . 8 ASP H . 10056 1 6 . 1 1 8 8 ASP HA H 1 4.608 0.030 . 1 . . . . 8 ASP HA . 10056 1 7 . 1 1 8 8 ASP HB2 H 1 2.654 0.030 . 2 . . . . 8 ASP HB2 . 10056 1 8 . 1 1 8 8 ASP HB3 H 1 2.705 0.030 . 2 . . . . 8 ASP HB3 . 10056 1 9 . 1 1 8 8 ASP C C 13 176.540 0.300 . 1 . . . . 8 ASP C . 10056 1 10 . 1 1 8 8 ASP CA C 13 54.653 0.300 . 1 . . . . 8 ASP CA . 10056 1 11 . 1 1 8 8 ASP CB C 13 41.149 0.300 . 1 . . . . 8 ASP CB . 10056 1 12 . 1 1 8 8 ASP N N 15 120.496 0.300 . 1 . . . . 8 ASP N . 10056 1 13 . 1 1 9 9 GLN H H 1 8.348 0.030 . 1 . . . . 9 GLN H . 10056 1 14 . 1 1 9 9 GLN HA H 1 4.303 0.030 . 1 . . . . 9 GLN HA . 10056 1 15 . 1 1 9 9 GLN HB2 H 1 2.002 0.030 . 2 . . . . 9 GLN HB2 . 10056 1 16 . 1 1 9 9 GLN HB3 H 1 2.155 0.030 . 2 . . . . 9 GLN HB3 . 10056 1 17 . 1 1 9 9 GLN HG2 H 1 2.383 0.030 . 1 . . . . 9 GLN HG2 . 10056 1 18 . 1 1 9 9 GLN HG3 H 1 2.383 0.030 . 1 . . . . 9 GLN HG3 . 10056 1 19 . 1 1 9 9 GLN HE21 H 1 7.536 0.030 . 2 . . . . 9 GLN HE21 . 10056 1 20 . 1 1 9 9 GLN HE22 H 1 6.857 0.030 . 2 . . . . 9 GLN HE22 . 10056 1 21 . 1 1 9 9 GLN C C 13 176.139 0.300 . 1 . . . . 9 GLN C . 10056 1 22 . 1 1 9 9 GLN CA C 13 56.070 0.300 . 1 . . . . 9 GLN CA . 10056 1 23 . 1 1 9 9 GLN CB C 13 29.426 0.300 . 1 . . . . 9 GLN CB . 10056 1 24 . 1 1 9 9 GLN CG C 13 33.846 0.300 . 1 . . . . 9 GLN CG . 10056 1 25 . 1 1 9 9 GLN N N 15 119.937 0.300 . 1 . . . . 9 GLN N . 10056 1 26 . 1 1 9 9 GLN NE2 N 15 112.716 0.300 . 1 . . . . 9 GLN NE2 . 10056 1 27 . 1 1 10 10 GLU H H 1 8.359 0.030 . 1 . . . . 10 GLU H . 10056 1 28 . 1 1 10 10 GLU HA H 1 4.262 0.030 . 1 . . . . 10 GLU HA . 10056 1 29 . 1 1 10 10 GLU HB2 H 1 1.962 0.030 . 1 . . . . 10 GLU HB2 . 10056 1 30 . 1 1 10 10 GLU HB3 H 1 1.962 0.030 . 1 . . . . 10 GLU HB3 . 10056 1 31 . 1 1 10 10 GLU HG2 H 1 2.223 0.030 . 2 . . . . 10 GLU HG2 . 10056 1 32 . 1 1 10 10 GLU HG3 H 1 2.302 0.030 . 2 . . . . 10 GLU HG3 . 10056 1 33 . 1 1 10 10 GLU C C 13 176.596 0.300 . 1 . . . . 10 GLU C . 10056 1 34 . 1 1 10 10 GLU CA C 13 56.842 0.300 . 1 . . . . 10 GLU CA . 10056 1 35 . 1 1 10 10 GLU CB C 13 30.340 0.300 . 1 . . . . 10 GLU CB . 10056 1 36 . 1 1 10 10 GLU CG C 13 36.368 0.300 . 1 . . . . 10 GLU CG . 10056 1 37 . 1 1 10 10 GLU N N 15 121.810 0.300 . 1 . . . . 10 GLU N . 10056 1 38 . 1 1 11 11 VAL H H 1 8.176 0.030 . 1 . . . . 11 VAL H . 10056 1 39 . 1 1 11 11 VAL HA H 1 4.062 0.030 . 1 . . . . 11 VAL HA . 10056 1 40 . 1 1 11 11 VAL HB H 1 2.063 0.030 . 1 . . . . 11 VAL HB . 10056 1 41 . 1 1 11 11 VAL HG11 H 1 0.929 0.030 . 1 . . . . 11 VAL HG1 . 10056 1 42 . 1 1 11 11 VAL HG12 H 1 0.929 0.030 . 1 . . . . 11 VAL HG1 . 10056 1 43 . 1 1 11 11 VAL HG13 H 1 0.929 0.030 . 1 . . . . 11 VAL HG1 . 10056 1 44 . 1 1 11 11 VAL HG21 H 1 0.929 0.030 . 1 . . . . 11 VAL HG2 . 10056 1 45 . 1 1 11 11 VAL HG22 H 1 0.929 0.030 . 1 . . . . 11 VAL HG2 . 10056 1 46 . 1 1 11 11 VAL HG23 H 1 0.929 0.030 . 1 . . . . 11 VAL HG2 . 10056 1 47 . 1 1 11 11 VAL C C 13 176.149 0.300 . 1 . . . . 11 VAL C . 10056 1 48 . 1 1 11 11 VAL CA C 13 62.661 0.300 . 1 . . . . 11 VAL CA . 10056 1 49 . 1 1 11 11 VAL CB C 13 32.633 0.300 . 1 . . . . 11 VAL CB . 10056 1 50 . 1 1 11 11 VAL CG1 C 13 20.806 0.300 . 1 . . . . 11 VAL CG1 . 10056 1 51 . 1 1 11 11 VAL CG2 C 13 20.806 0.300 . 1 . . . . 11 VAL CG2 . 10056 1 52 . 1 1 11 11 VAL N N 15 121.947 0.300 . 1 . . . . 11 VAL N . 10056 1 53 . 1 1 12 12 ARG H H 1 8.392 0.030 . 1 . . . . 12 ARG H . 10056 1 54 . 1 1 12 12 ARG HA H 1 4.388 0.030 . 1 . . . . 12 ARG HA . 10056 1 55 . 1 1 12 12 ARG HB2 H 1 1.805 0.030 . 2 . . . . 12 ARG HB2 . 10056 1 56 . 1 1 12 12 ARG HB3 H 1 1.910 0.030 . 2 . . . . 12 ARG HB3 . 10056 1 57 . 1 1 12 12 ARG HG2 H 1 1.673 0.030 . 2 . . . . 12 ARG HG2 . 10056 1 58 . 1 1 12 12 ARG HG3 H 1 1.649 0.030 . 2 . . . . 12 ARG HG3 . 10056 1 59 . 1 1 12 12 ARG HD2 H 1 3.214 0.030 . 1 . . . . 12 ARG HD2 . 10056 1 60 . 1 1 12 12 ARG HD3 H 1 3.214 0.030 . 1 . . . . 12 ARG HD3 . 10056 1 61 . 1 1 12 12 ARG C C 13 176.201 0.300 . 1 . . . . 12 ARG C . 10056 1 62 . 1 1 12 12 ARG CA C 13 55.911 0.300 . 1 . . . . 12 ARG CA . 10056 1 63 . 1 1 12 12 ARG CB C 13 31.032 0.300 . 1 . . . . 12 ARG CB . 10056 1 64 . 1 1 12 12 ARG CG C 13 27.112 0.300 . 1 . . . . 12 ARG CG . 10056 1 65 . 1 1 12 12 ARG CD C 13 43.346 0.300 . 1 . . . . 12 ARG CD . 10056 1 66 . 1 1 12 12 ARG N N 15 125.227 0.300 . 1 . . . . 12 ARG N . 10056 1 67 . 1 1 13 13 LEU H H 1 8.319 0.030 . 1 . . . . 13 LEU H . 10056 1 68 . 1 1 13 13 LEU HA H 1 4.331 0.030 . 1 . . . . 13 LEU HA . 10056 1 69 . 1 1 13 13 LEU HB2 H 1 1.574 0.030 . 2 . . . . 13 LEU HB2 . 10056 1 70 . 1 1 13 13 LEU HB3 H 1 1.661 0.030 . 2 . . . . 13 LEU HB3 . 10056 1 71 . 1 1 13 13 LEU HG H 1 1.632 0.030 . 1 . . . . 13 LEU HG . 10056 1 72 . 1 1 13 13 LEU HD11 H 1 0.924 0.030 . 1 . . . . 13 LEU HD1 . 10056 1 73 . 1 1 13 13 LEU HD12 H 1 0.924 0.030 . 1 . . . . 13 LEU HD1 . 10056 1 74 . 1 1 13 13 LEU HD13 H 1 0.924 0.030 . 1 . . . . 13 LEU HD1 . 10056 1 75 . 1 1 13 13 LEU HD21 H 1 0.870 0.030 . 1 . . . . 13 LEU HD2 . 10056 1 76 . 1 1 13 13 LEU HD22 H 1 0.870 0.030 . 1 . . . . 13 LEU HD2 . 10056 1 77 . 1 1 13 13 LEU HD23 H 1 0.870 0.030 . 1 . . . . 13 LEU HD2 . 10056 1 78 . 1 1 13 13 LEU C C 13 177.298 0.300 . 1 . . . . 13 LEU C . 10056 1 79 . 1 1 13 13 LEU CA C 13 55.313 0.300 . 1 . . . . 13 LEU CA . 10056 1 80 . 1 1 13 13 LEU CB C 13 42.433 0.300 . 1 . . . . 13 LEU CB . 10056 1 81 . 1 1 13 13 LEU CG C 13 27.053 0.300 . 1 . . . . 13 LEU CG . 10056 1 82 . 1 1 13 13 LEU CD1 C 13 25.034 0.300 . 2 . . . . 13 LEU CD1 . 10056 1 83 . 1 1 13 13 LEU CD2 C 13 23.497 0.300 . 2 . . . . 13 LEU CD2 . 10056 1 84 . 1 1 13 13 LEU N N 15 123.923 0.300 . 1 . . . . 13 LEU N . 10056 1 85 . 1 1 14 14 GLU H H 1 8.452 0.030 . 1 . . . . 14 GLU H . 10056 1 86 . 1 1 14 14 GLU HA H 1 4.306 0.030 . 1 . . . . 14 GLU HA . 10056 1 87 . 1 1 14 14 GLU HB2 H 1 2.088 0.030 . 2 . . . . 14 GLU HB2 . 10056 1 88 . 1 1 14 14 GLU HB3 H 1 2.064 0.030 . 2 . . . . 14 GLU HB3 . 10056 1 89 . 1 1 14 14 GLU HG2 H 1 2.273 0.030 . 2 . . . . 14 GLU HG2 . 10056 1 90 . 1 1 14 14 GLU HG3 H 1 2.526 0.030 . 2 . . . . 14 GLU HG3 . 10056 1 91 . 1 1 14 14 GLU C C 13 176.018 0.300 . 1 . . . . 14 GLU C . 10056 1 92 . 1 1 14 14 GLU CA C 13 56.475 0.300 . 1 . . . . 14 GLU CA . 10056 1 93 . 1 1 14 14 GLU CB C 13 30.307 0.300 . 1 . . . . 14 GLU CB . 10056 1 94 . 1 1 14 14 GLU CG C 13 37.026 0.300 . 1 . . . . 14 GLU CG . 10056 1 95 . 1 1 14 14 GLU N N 15 121.096 0.300 . 1 . . . . 14 GLU N . 10056 1 96 . 1 1 15 15 ASN HA H 1 4.688 0.030 . 1 . . . . 15 ASN HA . 10056 1 97 . 1 1 15 15 ASN HB2 H 1 2.848 0.030 . 2 . . . . 15 ASN HB2 . 10056 1 98 . 1 1 15 15 ASN HB3 H 1 2.786 0.030 . 2 . . . . 15 ASN HB3 . 10056 1 99 . 1 1 15 15 ASN C C 13 174.776 0.300 . 1 . . . . 15 ASN C . 10056 1 100 . 1 1 15 15 ASN CA C 13 53.380 0.300 . 1 . . . . 15 ASN CA . 10056 1 101 . 1 1 15 15 ASN CB C 13 38.754 0.300 . 1 . . . . 15 ASN CB . 10056 1 102 . 1 1 16 16 ARG H H 1 8.024 0.030 . 1 . . . . 16 ARG H . 10056 1 103 . 1 1 16 16 ARG HA H 1 4.437 0.030 . 1 . . . . 16 ARG HA . 10056 1 104 . 1 1 16 16 ARG HB2 H 1 1.647 0.030 . 1 . . . . 16 ARG HB2 . 10056 1 105 . 1 1 16 16 ARG HB3 H 1 1.647 0.030 . 1 . . . . 16 ARG HB3 . 10056 1 106 . 1 1 16 16 ARG HG2 H 1 1.404 0.030 . 2 . . . . 16 ARG HG2 . 10056 1 107 . 1 1 16 16 ARG HG3 H 1 1.631 0.030 . 2 . . . . 16 ARG HG3 . 10056 1 108 . 1 1 16 16 ARG HD2 H 1 2.977 0.030 . 2 . . . . 16 ARG HD2 . 10056 1 109 . 1 1 16 16 ARG HD3 H 1 3.089 0.030 . 2 . . . . 16 ARG HD3 . 10056 1 110 . 1 1 16 16 ARG C C 13 175.583 0.300 . 1 . . . . 16 ARG C . 10056 1 111 . 1 1 16 16 ARG CA C 13 55.853 0.300 . 1 . . . . 16 ARG CA . 10056 1 112 . 1 1 16 16 ARG CB C 13 33.054 0.300 . 1 . . . . 16 ARG CB . 10056 1 113 . 1 1 16 16 ARG CG C 13 27.742 0.300 . 1 . . . . 16 ARG CG . 10056 1 114 . 1 1 16 16 ARG CD C 13 43.557 0.300 . 1 . . . . 16 ARG CD . 10056 1 115 . 1 1 16 16 ARG N N 15 118.866 0.300 . 1 . . . . 16 ARG N . 10056 1 116 . 1 1 17 17 ILE H H 1 8.796 0.030 . 1 . . . . 17 ILE H . 10056 1 117 . 1 1 17 17 ILE HA H 1 4.610 0.030 . 1 . . . . 17 ILE HA . 10056 1 118 . 1 1 17 17 ILE HB H 1 2.111 0.030 . 1 . . . . 17 ILE HB . 10056 1 119 . 1 1 17 17 ILE HG12 H 1 1.251 0.030 . 2 . . . . 17 ILE HG12 . 10056 1 120 . 1 1 17 17 ILE HG13 H 1 1.356 0.030 . 2 . . . . 17 ILE HG13 . 10056 1 121 . 1 1 17 17 ILE HG21 H 1 0.978 0.030 . 1 . . . . 17 ILE HG2 . 10056 1 122 . 1 1 17 17 ILE HG22 H 1 0.978 0.030 . 1 . . . . 17 ILE HG2 . 10056 1 123 . 1 1 17 17 ILE HG23 H 1 0.978 0.030 . 1 . . . . 17 ILE HG2 . 10056 1 124 . 1 1 17 17 ILE HD11 H 1 0.886 0.030 . 1 . . . . 17 ILE HD1 . 10056 1 125 . 1 1 17 17 ILE HD12 H 1 0.886 0.030 . 1 . . . . 17 ILE HD1 . 10056 1 126 . 1 1 17 17 ILE HD13 H 1 0.886 0.030 . 1 . . . . 17 ILE HD1 . 10056 1 127 . 1 1 17 17 ILE C C 13 175.024 0.300 . 1 . . . . 17 ILE C . 10056 1 128 . 1 1 17 17 ILE CA C 13 58.277 0.300 . 1 . . . . 17 ILE CA . 10056 1 129 . 1 1 17 17 ILE CB C 13 40.143 0.300 . 1 . . . . 17 ILE CB . 10056 1 130 . 1 1 17 17 ILE CG1 C 13 27.906 0.300 . 1 . . . . 17 ILE CG1 . 10056 1 131 . 1 1 17 17 ILE CG2 C 13 20.255 0.300 . 1 . . . . 17 ILE CG2 . 10056 1 132 . 1 1 17 17 ILE CD1 C 13 12.990 0.300 . 1 . . . . 17 ILE CD1 . 10056 1 133 . 1 1 17 17 ILE N N 15 119.494 0.300 . 1 . . . . 17 ILE N . 10056 1 134 . 1 1 18 18 THR H H 1 8.537 0.030 . 1 . . . . 18 THR H . 10056 1 135 . 1 1 18 18 THR HA H 1 5.834 0.030 . 1 . . . . 18 THR HA . 10056 1 136 . 1 1 18 18 THR HB H 1 3.928 0.030 . 1 . . . . 18 THR HB . 10056 1 137 . 1 1 18 18 THR HG21 H 1 1.091 0.030 . 1 . . . . 18 THR HG2 . 10056 1 138 . 1 1 18 18 THR HG22 H 1 1.091 0.030 . 1 . . . . 18 THR HG2 . 10056 1 139 . 1 1 18 18 THR HG23 H 1 1.091 0.030 . 1 . . . . 18 THR HG2 . 10056 1 140 . 1 1 18 18 THR C C 13 173.716 0.300 . 1 . . . . 18 THR C . 10056 1 141 . 1 1 18 18 THR CA C 13 60.147 0.300 . 1 . . . . 18 THR CA . 10056 1 142 . 1 1 18 18 THR CB C 13 72.058 0.300 . 1 . . . . 18 THR CB . 10056 1 143 . 1 1 18 18 THR CG2 C 13 21.233 0.300 . 1 . . . . 18 THR CG2 . 10056 1 144 . 1 1 18 18 THR N N 15 116.275 0.300 . 1 . . . . 18 THR N . 10056 1 145 . 1 1 19 19 PHE H H 1 8.768 0.030 . 1 . . . . 19 PHE H . 10056 1 146 . 1 1 19 19 PHE HA H 1 4.901 0.030 . 1 . . . . 19 PHE HA . 10056 1 147 . 1 1 19 19 PHE HB2 H 1 3.570 0.030 . 2 . . . . 19 PHE HB2 . 10056 1 148 . 1 1 19 19 PHE HB3 H 1 3.241 0.030 . 2 . . . . 19 PHE HB3 . 10056 1 149 . 1 1 19 19 PHE HD1 H 1 6.911 0.030 . 1 . . . . 19 PHE HD1 . 10056 1 150 . 1 1 19 19 PHE HD2 H 1 6.911 0.030 . 1 . . . . 19 PHE HD2 . 10056 1 151 . 1 1 19 19 PHE HE1 H 1 6.760 0.030 . 1 . . . . 19 PHE HE1 . 10056 1 152 . 1 1 19 19 PHE HE2 H 1 6.760 0.030 . 1 . . . . 19 PHE HE2 . 10056 1 153 . 1 1 19 19 PHE HZ H 1 6.665 0.030 . 1 . . . . 19 PHE HZ . 10056 1 154 . 1 1 19 19 PHE C C 13 172.037 0.300 . 1 . . . . 19 PHE C . 10056 1 155 . 1 1 19 19 PHE CA C 13 56.499 0.300 . 1 . . . . 19 PHE CA . 10056 1 156 . 1 1 19 19 PHE CB C 13 40.613 0.300 . 1 . . . . 19 PHE CB . 10056 1 157 . 1 1 19 19 PHE CD1 C 13 132.956 0.300 . 1 . . . . 19 PHE CD1 . 10056 1 158 . 1 1 19 19 PHE CD2 C 13 132.956 0.300 . 1 . . . . 19 PHE CD2 . 10056 1 159 . 1 1 19 19 PHE CE1 C 13 129.680 0.300 . 1 . . . . 19 PHE CE1 . 10056 1 160 . 1 1 19 19 PHE CE2 C 13 129.680 0.300 . 1 . . . . 19 PHE CE2 . 10056 1 161 . 1 1 19 19 PHE CZ C 13 127.921 0.300 . 1 . . . . 19 PHE CZ . 10056 1 162 . 1 1 19 19 PHE N N 15 120.504 0.300 . 1 . . . . 19 PHE N . 10056 1 163 . 1 1 20 20 GLN H H 1 8.816 0.030 . 1 . . . . 20 GLN H . 10056 1 164 . 1 1 20 20 GLN HA H 1 5.193 0.030 . 1 . . . . 20 GLN HA . 10056 1 165 . 1 1 20 20 GLN HB2 H 1 1.930 0.030 . 2 . . . . 20 GLN HB2 . 10056 1 166 . 1 1 20 20 GLN HB3 H 1 2.141 0.030 . 2 . . . . 20 GLN HB3 . 10056 1 167 . 1 1 20 20 GLN HG2 H 1 2.176 0.030 . 1 . . . . 20 GLN HG2 . 10056 1 168 . 1 1 20 20 GLN HG3 H 1 2.176 0.030 . 1 . . . . 20 GLN HG3 . 10056 1 169 . 1 1 20 20 GLN HE21 H 1 7.209 0.030 . 2 . . . . 20 GLN HE21 . 10056 1 170 . 1 1 20 20 GLN HE22 H 1 6.585 0.030 . 2 . . . . 20 GLN HE22 . 10056 1 171 . 1 1 20 20 GLN C C 13 173.841 0.300 . 1 . . . . 20 GLN C . 10056 1 172 . 1 1 20 20 GLN CA C 13 54.688 0.300 . 1 . . . . 20 GLN CA . 10056 1 173 . 1 1 20 20 GLN CB C 13 32.751 0.300 . 1 . . . . 20 GLN CB . 10056 1 174 . 1 1 20 20 GLN CG C 13 35.579 0.300 . 1 . . . . 20 GLN CG . 10056 1 175 . 1 1 20 20 GLN N N 15 117.489 0.300 . 1 . . . . 20 GLN N . 10056 1 176 . 1 1 20 20 GLN NE2 N 15 109.854 0.300 . 1 . . . . 20 GLN NE2 . 10056 1 177 . 1 1 21 21 LEU H H 1 9.120 0.030 . 1 . . . . 21 LEU H . 10056 1 178 . 1 1 21 21 LEU HA H 1 5.192 0.030 . 1 . . . . 21 LEU HA . 10056 1 179 . 1 1 21 21 LEU HB2 H 1 1.120 0.030 . 2 . . . . 21 LEU HB2 . 10056 1 180 . 1 1 21 21 LEU HB3 H 1 1.702 0.030 . 2 . . . . 21 LEU HB3 . 10056 1 181 . 1 1 21 21 LEU HG H 1 1.321 0.030 . 1 . . . . 21 LEU HG . 10056 1 182 . 1 1 21 21 LEU HD11 H 1 0.775 0.030 . 1 . . . . 21 LEU HD1 . 10056 1 183 . 1 1 21 21 LEU HD12 H 1 0.775 0.030 . 1 . . . . 21 LEU HD1 . 10056 1 184 . 1 1 21 21 LEU HD13 H 1 0.775 0.030 . 1 . . . . 21 LEU HD1 . 10056 1 185 . 1 1 21 21 LEU HD21 H 1 0.815 0.030 . 1 . . . . 21 LEU HD2 . 10056 1 186 . 1 1 21 21 LEU HD22 H 1 0.815 0.030 . 1 . . . . 21 LEU HD2 . 10056 1 187 . 1 1 21 21 LEU HD23 H 1 0.815 0.030 . 1 . . . . 21 LEU HD2 . 10056 1 188 . 1 1 21 21 LEU C C 13 174.606 0.300 . 1 . . . . 21 LEU C . 10056 1 189 . 1 1 21 21 LEU CA C 13 52.715 0.300 . 1 . . . . 21 LEU CA . 10056 1 190 . 1 1 21 21 LEU CB C 13 46.425 0.300 . 1 . . . . 21 LEU CB . 10056 1 191 . 1 1 21 21 LEU CG C 13 26.879 0.300 . 1 . . . . 21 LEU CG . 10056 1 192 . 1 1 21 21 LEU CD1 C 13 26.889 0.300 . 2 . . . . 21 LEU CD1 . 10056 1 193 . 1 1 21 21 LEU CD2 C 13 25.793 0.300 . 2 . . . . 21 LEU CD2 . 10056 1 194 . 1 1 21 21 LEU N N 15 123.420 0.300 . 1 . . . . 21 LEU N . 10056 1 195 . 1 1 22 22 GLU H H 1 9.255 0.030 . 1 . . . . 22 GLU H . 10056 1 196 . 1 1 22 22 GLU HA H 1 4.601 0.030 . 1 . . . . 22 GLU HA . 10056 1 197 . 1 1 22 22 GLU HB2 H 1 2.065 0.030 . 2 . . . . 22 GLU HB2 . 10056 1 198 . 1 1 22 22 GLU HB3 H 1 1.913 0.030 . 2 . . . . 22 GLU HB3 . 10056 1 199 . 1 1 22 22 GLU HG2 H 1 1.932 0.030 . 2 . . . . 22 GLU HG2 . 10056 1 200 . 1 1 22 22 GLU HG3 H 1 2.140 0.030 . 2 . . . . 22 GLU HG3 . 10056 1 201 . 1 1 22 22 GLU C C 13 175.028 0.300 . 1 . . . . 22 GLU C . 10056 1 202 . 1 1 22 22 GLU CA C 13 55.471 0.300 . 1 . . . . 22 GLU CA . 10056 1 203 . 1 1 22 22 GLU CB C 13 30.571 0.300 . 1 . . . . 22 GLU CB . 10056 1 204 . 1 1 22 22 GLU CG C 13 35.872 0.300 . 1 . . . . 22 GLU CG . 10056 1 205 . 1 1 22 22 GLU N N 15 126.840 0.300 . 1 . . . . 22 GLU N . 10056 1 206 . 1 1 23 23 LEU H H 1 8.747 0.030 . 1 . . . . 23 LEU H . 10056 1 207 . 1 1 23 23 LEU HA H 1 4.779 0.030 . 1 . . . . 23 LEU HA . 10056 1 208 . 1 1 23 23 LEU HB2 H 1 1.754 0.030 . 2 . . . . 23 LEU HB2 . 10056 1 209 . 1 1 23 23 LEU HB3 H 1 1.416 0.030 . 2 . . . . 23 LEU HB3 . 10056 1 210 . 1 1 23 23 LEU HG H 1 1.517 0.030 . 1 . . . . 23 LEU HG . 10056 1 211 . 1 1 23 23 LEU HD11 H 1 0.589 0.030 . 1 . . . . 23 LEU HD1 . 10056 1 212 . 1 1 23 23 LEU HD12 H 1 0.589 0.030 . 1 . . . . 23 LEU HD1 . 10056 1 213 . 1 1 23 23 LEU HD13 H 1 0.589 0.030 . 1 . . . . 23 LEU HD1 . 10056 1 214 . 1 1 23 23 LEU HD21 H 1 0.589 0.030 . 1 . . . . 23 LEU HD2 . 10056 1 215 . 1 1 23 23 LEU HD22 H 1 0.589 0.030 . 1 . . . . 23 LEU HD2 . 10056 1 216 . 1 1 23 23 LEU HD23 H 1 0.589 0.030 . 1 . . . . 23 LEU HD2 . 10056 1 217 . 1 1 23 23 LEU C C 13 176.801 0.300 . 1 . . . . 23 LEU C . 10056 1 218 . 1 1 23 23 LEU CA C 13 53.853 0.300 . 1 . . . . 23 LEU CA . 10056 1 219 . 1 1 23 23 LEU CB C 13 40.626 0.300 . 1 . . . . 23 LEU CB . 10056 1 220 . 1 1 23 23 LEU CG C 13 27.408 0.300 . 1 . . . . 23 LEU CG . 10056 1 221 . 1 1 23 23 LEU CD1 C 13 25.993 0.300 . 2 . . . . 23 LEU CD1 . 10056 1 222 . 1 1 23 23 LEU CD2 C 13 25.576 0.300 . 2 . . . . 23 LEU CD2 . 10056 1 223 . 1 1 23 23 LEU N N 15 127.920 0.300 . 1 . . . . 23 LEU N . 10056 1 224 . 1 1 24 24 VAL H H 1 7.834 0.030 . 1 . . . . 24 VAL H . 10056 1 225 . 1 1 24 24 VAL HA H 1 3.746 0.030 . 1 . . . . 24 VAL HA . 10056 1 226 . 1 1 24 24 VAL HB H 1 2.158 0.030 . 1 . . . . 24 VAL HB . 10056 1 227 . 1 1 24 24 VAL HG11 H 1 1.002 0.030 . 1 . . . . 24 VAL HG1 . 10056 1 228 . 1 1 24 24 VAL HG12 H 1 1.002 0.030 . 1 . . . . 24 VAL HG1 . 10056 1 229 . 1 1 24 24 VAL HG13 H 1 1.002 0.030 . 1 . . . . 24 VAL HG1 . 10056 1 230 . 1 1 24 24 VAL HG21 H 1 1.046 0.030 . 1 . . . . 24 VAL HG2 . 10056 1 231 . 1 1 24 24 VAL HG22 H 1 1.046 0.030 . 1 . . . . 24 VAL HG2 . 10056 1 232 . 1 1 24 24 VAL HG23 H 1 1.046 0.030 . 1 . . . . 24 VAL HG2 . 10056 1 233 . 1 1 24 24 VAL C C 13 178.527 0.300 . 1 . . . . 24 VAL C . 10056 1 234 . 1 1 24 24 VAL CA C 13 66.195 0.300 . 1 . . . . 24 VAL CA . 10056 1 235 . 1 1 24 24 VAL CB C 13 32.030 0.300 . 1 . . . . 24 VAL CB . 10056 1 236 . 1 1 24 24 VAL CG1 C 13 20.962 0.300 . 2 . . . . 24 VAL CG1 . 10056 1 237 . 1 1 24 24 VAL CG2 C 13 22.550 0.300 . 2 . . . . 24 VAL CG2 . 10056 1 238 . 1 1 24 24 VAL N N 15 124.651 0.300 . 1 . . . . 24 VAL N . 10056 1 239 . 1 1 25 25 GLY H H 1 9.137 0.030 . 1 . . . . 25 GLY H . 10056 1 240 . 1 1 25 25 GLY HA2 H 1 3.858 0.030 . 2 . . . . 25 GLY HA2 . 10056 1 241 . 1 1 25 25 GLY HA3 H 1 4.063 0.030 . 2 . . . . 25 GLY HA3 . 10056 1 242 . 1 1 25 25 GLY C C 13 174.651 0.300 . 1 . . . . 25 GLY C . 10056 1 243 . 1 1 25 25 GLY CA C 13 45.843 0.300 . 1 . . . . 25 GLY CA . 10056 1 244 . 1 1 25 25 GLY N N 15 111.896 0.300 . 1 . . . . 25 GLY N . 10056 1 245 . 1 1 26 26 LEU H H 1 7.486 0.030 . 1 . . . . 26 LEU H . 10056 1 246 . 1 1 26 26 LEU HA H 1 4.516 0.030 . 1 . . . . 26 LEU HA . 10056 1 247 . 1 1 26 26 LEU HB2 H 1 1.538 0.030 . 2 . . . . 26 LEU HB2 . 10056 1 248 . 1 1 26 26 LEU HB3 H 1 1.439 0.030 . 2 . . . . 26 LEU HB3 . 10056 1 249 . 1 1 26 26 LEU HG H 1 1.515 0.030 . 1 . . . . 26 LEU HG . 10056 1 250 . 1 1 26 26 LEU HD11 H 1 0.715 0.030 . 1 . . . . 26 LEU HD1 . 10056 1 251 . 1 1 26 26 LEU HD12 H 1 0.715 0.030 . 1 . . . . 26 LEU HD1 . 10056 1 252 . 1 1 26 26 LEU HD13 H 1 0.715 0.030 . 1 . . . . 26 LEU HD1 . 10056 1 253 . 1 1 26 26 LEU HD21 H 1 0.843 0.030 . 1 . . . . 26 LEU HD2 . 10056 1 254 . 1 1 26 26 LEU HD22 H 1 0.843 0.030 . 1 . . . . 26 LEU HD2 . 10056 1 255 . 1 1 26 26 LEU HD23 H 1 0.843 0.030 . 1 . . . . 26 LEU HD2 . 10056 1 256 . 1 1 26 26 LEU C C 13 176.079 0.300 . 1 . . . . 26 LEU C . 10056 1 257 . 1 1 26 26 LEU CA C 13 54.371 0.300 . 1 . . . . 26 LEU CA . 10056 1 258 . 1 1 26 26 LEU CB C 13 43.173 0.300 . 1 . . . . 26 LEU CB . 10056 1 259 . 1 1 26 26 LEU CG C 13 27.181 0.300 . 1 . . . . 26 LEU CG . 10056 1 260 . 1 1 26 26 LEU CD1 C 13 25.298 0.300 . 2 . . . . 26 LEU CD1 . 10056 1 261 . 1 1 26 26 LEU CD2 C 13 23.318 0.300 . 2 . . . . 26 LEU CD2 . 10056 1 262 . 1 1 26 26 LEU N N 15 119.036 0.300 . 1 . . . . 26 LEU N . 10056 1 263 . 1 1 27 27 GLU H H 1 8.160 0.030 . 1 . . . . 27 GLU H . 10056 1 264 . 1 1 27 27 GLU HA H 1 4.009 0.030 . 1 . . . . 27 GLU HA . 10056 1 265 . 1 1 27 27 GLU HB2 H 1 2.129 0.030 . 1 . . . . 27 GLU HB2 . 10056 1 266 . 1 1 27 27 GLU HB3 H 1 2.129 0.030 . 1 . . . . 27 GLU HB3 . 10056 1 267 . 1 1 27 27 GLU HG2 H 1 2.198 0.030 . 1 . . . . 27 GLU HG2 . 10056 1 268 . 1 1 27 27 GLU HG3 H 1 2.198 0.030 . 1 . . . . 27 GLU HG3 . 10056 1 269 . 1 1 27 27 GLU C C 13 175.265 0.300 . 1 . . . . 27 GLU C . 10056 1 270 . 1 1 27 27 GLU CA C 13 56.935 0.300 . 1 . . . . 27 GLU CA . 10056 1 271 . 1 1 27 27 GLU CB C 13 27.913 0.300 . 1 . . . . 27 GLU CB . 10056 1 272 . 1 1 27 27 GLU CG C 13 36.799 0.300 . 1 . . . . 27 GLU CG . 10056 1 273 . 1 1 27 27 GLU N N 15 117.496 0.300 . 1 . . . . 27 GLU N . 10056 1 274 . 1 1 28 28 ARG H H 1 7.357 0.030 . 1 . . . . 28 ARG H . 10056 1 275 . 1 1 28 28 ARG HA H 1 4.733 0.030 . 1 . . . . 28 ARG HA . 10056 1 276 . 1 1 28 28 ARG HB2 H 1 1.612 0.030 . 2 . . . . 28 ARG HB2 . 10056 1 277 . 1 1 28 28 ARG HB3 H 1 1.762 0.030 . 2 . . . . 28 ARG HB3 . 10056 1 278 . 1 1 28 28 ARG HG2 H 1 1.585 0.030 . 2 . . . . 28 ARG HG2 . 10056 1 279 . 1 1 28 28 ARG HG3 H 1 1.570 0.030 . 2 . . . . 28 ARG HG3 . 10056 1 280 . 1 1 28 28 ARG HD2 H 1 3.128 0.030 . 2 . . . . 28 ARG HD2 . 10056 1 281 . 1 1 28 28 ARG HD3 H 1 3.264 0.030 . 2 . . . . 28 ARG HD3 . 10056 1 282 . 1 1 28 28 ARG C C 13 174.402 0.300 . 1 . . . . 28 ARG C . 10056 1 283 . 1 1 28 28 ARG CA C 13 54.825 0.300 . 1 . . . . 28 ARG CA . 10056 1 284 . 1 1 28 28 ARG CB C 13 33.999 0.300 . 1 . . . . 28 ARG CB . 10056 1 285 . 1 1 28 28 ARG CG C 13 26.752 0.300 . 1 . . . . 28 ARG CG . 10056 1 286 . 1 1 28 28 ARG CD C 13 43.347 0.300 . 1 . . . . 28 ARG CD . 10056 1 287 . 1 1 28 28 ARG N N 15 115.899 0.300 . 1 . . . . 28 ARG N . 10056 1 288 . 1 1 29 29 VAL H H 1 8.412 0.030 . 1 . . . . 29 VAL H . 10056 1 289 . 1 1 29 29 VAL HA H 1 4.825 0.030 . 1 . . . . 29 VAL HA . 10056 1 290 . 1 1 29 29 VAL HB H 1 1.905 0.030 . 1 . . . . 29 VAL HB . 10056 1 291 . 1 1 29 29 VAL HG11 H 1 0.799 0.030 . 1 . . . . 29 VAL HG1 . 10056 1 292 . 1 1 29 29 VAL HG12 H 1 0.799 0.030 . 1 . . . . 29 VAL HG1 . 10056 1 293 . 1 1 29 29 VAL HG13 H 1 0.799 0.030 . 1 . . . . 29 VAL HG1 . 10056 1 294 . 1 1 29 29 VAL HG21 H 1 0.872 0.030 . 1 . . . . 29 VAL HG2 . 10056 1 295 . 1 1 29 29 VAL HG22 H 1 0.872 0.030 . 1 . . . . 29 VAL HG2 . 10056 1 296 . 1 1 29 29 VAL HG23 H 1 0.872 0.030 . 1 . . . . 29 VAL HG2 . 10056 1 297 . 1 1 29 29 VAL C C 13 175.636 0.300 . 1 . . . . 29 VAL C . 10056 1 298 . 1 1 29 29 VAL CA C 13 61.275 0.300 . 1 . . . . 29 VAL CA . 10056 1 299 . 1 1 29 29 VAL CB C 13 33.679 0.300 . 1 . . . . 29 VAL CB . 10056 1 300 . 1 1 29 29 VAL CG1 C 13 21.051 0.300 . 2 . . . . 29 VAL CG1 . 10056 1 301 . 1 1 29 29 VAL CG2 C 13 21.143 0.300 . 2 . . . . 29 VAL CG2 . 10056 1 302 . 1 1 29 29 VAL N N 15 122.207 0.300 . 1 . . . . 29 VAL N . 10056 1 303 . 1 1 30 30 VAL H H 1 9.004 0.030 . 1 . . . . 30 VAL H . 10056 1 304 . 1 1 30 30 VAL HA H 1 4.495 0.030 . 1 . . . . 30 VAL HA . 10056 1 305 . 1 1 30 30 VAL HB H 1 2.010 0.030 . 1 . . . . 30 VAL HB . 10056 1 306 . 1 1 30 30 VAL HG11 H 1 0.876 0.030 . 1 . . . . 30 VAL HG1 . 10056 1 307 . 1 1 30 30 VAL HG12 H 1 0.876 0.030 . 1 . . . . 30 VAL HG1 . 10056 1 308 . 1 1 30 30 VAL HG13 H 1 0.876 0.030 . 1 . . . . 30 VAL HG1 . 10056 1 309 . 1 1 30 30 VAL HG21 H 1 0.842 0.030 . 1 . . . . 30 VAL HG2 . 10056 1 310 . 1 1 30 30 VAL HG22 H 1 0.842 0.030 . 1 . . . . 30 VAL HG2 . 10056 1 311 . 1 1 30 30 VAL HG23 H 1 0.842 0.030 . 1 . . . . 30 VAL HG2 . 10056 1 312 . 1 1 30 30 VAL C C 13 174.045 0.300 . 1 . . . . 30 VAL C . 10056 1 313 . 1 1 30 30 VAL CA C 13 60.047 0.300 . 1 . . . . 30 VAL CA . 10056 1 314 . 1 1 30 30 VAL CB C 13 34.829 0.300 . 1 . . . . 30 VAL CB . 10056 1 315 . 1 1 30 30 VAL CG1 C 13 21.405 0.300 . 2 . . . . 30 VAL CG1 . 10056 1 316 . 1 1 30 30 VAL CG2 C 13 20.476 0.300 . 2 . . . . 30 VAL CG2 . 10056 1 317 . 1 1 30 30 VAL N N 15 124.516 0.300 . 1 . . . . 30 VAL N . 10056 1 318 . 1 1 31 31 ARG H H 1 8.572 0.030 . 1 . . . . 31 ARG H . 10056 1 319 . 1 1 31 31 ARG HA H 1 4.672 0.030 . 1 . . . . 31 ARG HA . 10056 1 320 . 1 1 31 31 ARG HB2 H 1 1.668 0.030 . 1 . . . . 31 ARG HB2 . 10056 1 321 . 1 1 31 31 ARG HB3 H 1 1.668 0.030 . 1 . . . . 31 ARG HB3 . 10056 1 322 . 1 1 31 31 ARG HG2 H 1 1.351 0.030 . 2 . . . . 31 ARG HG2 . 10056 1 323 . 1 1 31 31 ARG HG3 H 1 1.526 0.030 . 2 . . . . 31 ARG HG3 . 10056 1 324 . 1 1 31 31 ARG HD2 H 1 3.131 0.030 . 1 . . . . 31 ARG HD2 . 10056 1 325 . 1 1 31 31 ARG HD3 H 1 3.131 0.030 . 1 . . . . 31 ARG HD3 . 10056 1 326 . 1 1 31 31 ARG C C 13 175.270 0.300 . 1 . . . . 31 ARG C . 10056 1 327 . 1 1 31 31 ARG CA C 13 55.561 0.300 . 1 . . . . 31 ARG CA . 10056 1 328 . 1 1 31 31 ARG CB C 13 31.323 0.300 . 1 . . . . 31 ARG CB . 10056 1 329 . 1 1 31 31 ARG CG C 13 27.847 0.300 . 1 . . . . 31 ARG CG . 10056 1 330 . 1 1 31 31 ARG CD C 13 43.455 0.300 . 1 . . . . 31 ARG CD . 10056 1 331 . 1 1 31 31 ARG N N 15 125.366 0.300 . 1 . . . . 31 ARG N . 10056 1 332 . 1 1 32 32 ILE H H 1 8.585 0.030 . 1 . . . . 32 ILE H . 10056 1 333 . 1 1 32 32 ILE HA H 1 4.076 0.030 . 1 . . . . 32 ILE HA . 10056 1 334 . 1 1 32 32 ILE HB H 1 0.297 0.030 . 1 . . . . 32 ILE HB . 10056 1 335 . 1 1 32 32 ILE HG12 H 1 0.810 0.030 . 2 . . . . 32 ILE HG12 . 10056 1 336 . 1 1 32 32 ILE HG13 H 1 0.975 0.030 . 2 . . . . 32 ILE HG13 . 10056 1 337 . 1 1 32 32 ILE HG21 H 1 0.549 0.030 . 1 . . . . 32 ILE HG2 . 10056 1 338 . 1 1 32 32 ILE HG22 H 1 0.549 0.030 . 1 . . . . 32 ILE HG2 . 10056 1 339 . 1 1 32 32 ILE HG23 H 1 0.549 0.030 . 1 . . . . 32 ILE HG2 . 10056 1 340 . 1 1 32 32 ILE HD11 H 1 0.535 0.030 . 1 . . . . 32 ILE HD1 . 10056 1 341 . 1 1 32 32 ILE HD12 H 1 0.535 0.030 . 1 . . . . 32 ILE HD1 . 10056 1 342 . 1 1 32 32 ILE HD13 H 1 0.535 0.030 . 1 . . . . 32 ILE HD1 . 10056 1 343 . 1 1 32 32 ILE C C 13 173.814 0.300 . 1 . . . . 32 ILE C . 10056 1 344 . 1 1 32 32 ILE CA C 13 59.742 0.300 . 1 . . . . 32 ILE CA . 10056 1 345 . 1 1 32 32 ILE CB C 13 38.612 0.300 . 1 . . . . 32 ILE CB . 10056 1 346 . 1 1 32 32 ILE CG1 C 13 27.490 0.300 . 1 . . . . 32 ILE CG1 . 10056 1 347 . 1 1 32 32 ILE CG2 C 13 18.061 0.300 . 1 . . . . 32 ILE CG2 . 10056 1 348 . 1 1 32 32 ILE CD1 C 13 13.409 0.300 . 1 . . . . 32 ILE CD1 . 10056 1 349 . 1 1 32 32 ILE N N 15 127.936 0.300 . 1 . . . . 32 ILE N . 10056 1 350 . 1 1 33 33 SER H H 1 8.182 0.030 . 1 . . . . 33 SER H . 10056 1 351 . 1 1 33 33 SER HA H 1 5.662 0.030 . 1 . . . . 33 SER HA . 10056 1 352 . 1 1 33 33 SER HB2 H 1 3.607 0.030 . 2 . . . . 33 SER HB2 . 10056 1 353 . 1 1 33 33 SER HB3 H 1 3.569 0.030 . 2 . . . . 33 SER HB3 . 10056 1 354 . 1 1 33 33 SER C C 13 174.340 0.300 . 1 . . . . 33 SER C . 10056 1 355 . 1 1 33 33 SER CA C 13 55.920 0.300 . 1 . . . . 33 SER CA . 10056 1 356 . 1 1 33 33 SER CB C 13 64.865 0.300 . 1 . . . . 33 SER CB . 10056 1 357 . 1 1 33 33 SER N N 15 119.876 0.300 . 1 . . . . 33 SER N . 10056 1 358 . 1 1 34 34 ALA H H 1 9.163 0.030 . 1 . . . . 34 ALA H . 10056 1 359 . 1 1 34 34 ALA HA H 1 4.864 0.030 . 1 . . . . 34 ALA HA . 10056 1 360 . 1 1 34 34 ALA HB1 H 1 1.435 0.030 . 1 . . . . 34 ALA HB . 10056 1 361 . 1 1 34 34 ALA HB2 H 1 1.435 0.030 . 1 . . . . 34 ALA HB . 10056 1 362 . 1 1 34 34 ALA HB3 H 1 1.435 0.030 . 1 . . . . 34 ALA HB . 10056 1 363 . 1 1 34 34 ALA C C 13 175.549 0.300 . 1 . . . . 34 ALA C . 10056 1 364 . 1 1 34 34 ALA CA C 13 50.962 0.300 . 1 . . . . 34 ALA CA . 10056 1 365 . 1 1 34 34 ALA CB C 13 23.914 0.300 . 1 . . . . 34 ALA CB . 10056 1 366 . 1 1 34 34 ALA N N 15 126.285 0.300 . 1 . . . . 34 ALA N . 10056 1 367 . 1 1 35 35 LYS H H 1 8.734 0.030 . 1 . . . . 35 LYS H . 10056 1 368 . 1 1 35 35 LYS HA H 1 4.620 0.030 . 1 . . . . 35 LYS HA . 10056 1 369 . 1 1 35 35 LYS HB2 H 1 1.834 0.030 . 2 . . . . 35 LYS HB2 . 10056 1 370 . 1 1 35 35 LYS HB3 H 1 1.981 0.030 . 2 . . . . 35 LYS HB3 . 10056 1 371 . 1 1 35 35 LYS HG2 H 1 1.590 0.030 . 2 . . . . 35 LYS HG2 . 10056 1 372 . 1 1 35 35 LYS HG3 H 1 1.689 0.030 . 2 . . . . 35 LYS HG3 . 10056 1 373 . 1 1 35 35 LYS HD2 H 1 1.759 0.030 . 1 . . . . 35 LYS HD2 . 10056 1 374 . 1 1 35 35 LYS HD3 H 1 1.759 0.030 . 1 . . . . 35 LYS HD3 . 10056 1 375 . 1 1 35 35 LYS HE2 H 1 3.088 0.030 . 2 . . . . 35 LYS HE2 . 10056 1 376 . 1 1 35 35 LYS HE3 H 1 2.959 0.030 . 2 . . . . 35 LYS HE3 . 10056 1 377 . 1 1 35 35 LYS C C 13 175.980 0.300 . 1 . . . . 35 LYS C . 10056 1 378 . 1 1 35 35 LYS CA C 13 55.635 0.300 . 1 . . . . 35 LYS CA . 10056 1 379 . 1 1 35 35 LYS CB C 13 32.243 0.300 . 1 . . . . 35 LYS CB . 10056 1 380 . 1 1 35 35 LYS CG C 13 25.739 0.300 . 1 . . . . 35 LYS CG . 10056 1 381 . 1 1 35 35 LYS CD C 13 29.757 0.300 . 1 . . . . 35 LYS CD . 10056 1 382 . 1 1 35 35 LYS CE C 13 42.242 0.300 . 1 . . . . 35 LYS CE . 10056 1 383 . 1 1 35 35 LYS N N 15 122.933 0.300 . 1 . . . . 35 LYS N . 10056 1 384 . 1 1 36 36 PRO HA H 1 4.032 0.030 . 1 . . . . 36 PRO HA . 10056 1 385 . 1 1 36 36 PRO HB2 H 1 2.300 0.030 . 2 . . . . 36 PRO HB2 . 10056 1 386 . 1 1 36 36 PRO HB3 H 1 2.144 0.030 . 2 . . . . 36 PRO HB3 . 10056 1 387 . 1 1 36 36 PRO HG2 H 1 2.095 0.030 . 2 . . . . 36 PRO HG2 . 10056 1 388 . 1 1 36 36 PRO HG3 H 1 2.178 0.030 . 2 . . . . 36 PRO HG3 . 10056 1 389 . 1 1 36 36 PRO HD2 H 1 3.752 0.030 . 2 . . . . 36 PRO HD2 . 10056 1 390 . 1 1 36 36 PRO HD3 H 1 3.888 0.030 . 2 . . . . 36 PRO HD3 . 10056 1 391 . 1 1 36 36 PRO C C 13 175.796 0.300 . 1 . . . . 36 PRO C . 10056 1 392 . 1 1 36 36 PRO CA C 13 65.202 0.300 . 1 . . . . 36 PRO CA . 10056 1 393 . 1 1 36 36 PRO CB C 13 32.538 0.300 . 1 . . . . 36 PRO CB . 10056 1 394 . 1 1 36 36 PRO CG C 13 27.861 0.300 . 1 . . . . 36 PRO CG . 10056 1 395 . 1 1 36 36 PRO CD C 13 50.849 0.300 . 1 . . . . 36 PRO CD . 10056 1 396 . 1 1 37 37 THR H H 1 6.887 0.030 . 1 . . . . 37 THR H . 10056 1 397 . 1 1 37 37 THR HA H 1 4.249 0.030 . 1 . . . . 37 THR HA . 10056 1 398 . 1 1 37 37 THR HB H 1 4.523 0.030 . 1 . . . . 37 THR HB . 10056 1 399 . 1 1 37 37 THR HG21 H 1 1.281 0.030 . 1 . . . . 37 THR HG2 . 10056 1 400 . 1 1 37 37 THR HG22 H 1 1.281 0.030 . 1 . . . . 37 THR HG2 . 10056 1 401 . 1 1 37 37 THR HG23 H 1 1.281 0.030 . 1 . . . . 37 THR HG2 . 10056 1 402 . 1 1 37 37 THR C C 13 176.206 0.300 . 1 . . . . 37 THR C . 10056 1 403 . 1 1 37 37 THR CA C 13 61.018 0.300 . 1 . . . . 37 THR CA . 10056 1 404 . 1 1 37 37 THR CB C 13 69.236 0.300 . 1 . . . . 37 THR CB . 10056 1 405 . 1 1 37 37 THR CG2 C 13 22.263 0.300 . 1 . . . . 37 THR CG2 . 10056 1 406 . 1 1 37 37 THR N N 15 138.274 0.300 . 1 . . . . 37 THR N . 10056 1 407 . 1 1 38 38 LYS H H 1 7.612 0.030 . 1 . . . . 38 LYS H . 10056 1 408 . 1 1 38 38 LYS HA H 1 4.233 0.030 . 1 . . . . 38 LYS HA . 10056 1 409 . 1 1 38 38 LYS HB2 H 1 1.911 0.030 . 2 . . . . 38 LYS HB2 . 10056 1 410 . 1 1 38 38 LYS HB3 H 1 1.772 0.030 . 2 . . . . 38 LYS HB3 . 10056 1 411 . 1 1 38 38 LYS HG2 H 1 1.710 0.030 . 2 . . . . 38 LYS HG2 . 10056 1 412 . 1 1 38 38 LYS HG3 H 1 1.642 0.030 . 2 . . . . 38 LYS HG3 . 10056 1 413 . 1 1 38 38 LYS HD2 H 1 1.698 0.030 . 1 . . . . 38 LYS HD2 . 10056 1 414 . 1 1 38 38 LYS HD3 H 1 1.698 0.030 . 1 . . . . 38 LYS HD3 . 10056 1 415 . 1 1 38 38 LYS HE2 H 1 3.017 0.030 . 1 . . . . 38 LYS HE2 . 10056 1 416 . 1 1 38 38 LYS HE3 H 1 3.017 0.030 . 1 . . . . 38 LYS HE3 . 10056 1 417 . 1 1 38 38 LYS C C 13 176.046 0.300 . 1 . . . . 38 LYS C . 10056 1 418 . 1 1 38 38 LYS CA C 13 56.274 0.300 . 1 . . . . 38 LYS CA . 10056 1 419 . 1 1 38 38 LYS CB C 13 32.716 0.300 . 1 . . . . 38 LYS CB . 10056 1 420 . 1 1 38 38 LYS CG C 13 25.318 0.300 . 1 . . . . 38 LYS CG . 10056 1 421 . 1 1 38 38 LYS CD C 13 29.070 0.300 . 1 . . . . 38 LYS CD . 10056 1 422 . 1 1 38 38 LYS CE C 13 42.104 0.300 . 1 . . . . 38 LYS CE . 10056 1 423 . 1 1 38 38 LYS N N 15 124.014 0.300 . 1 . . . . 38 LYS N . 10056 1 424 . 1 1 39 39 ARG H H 1 9.037 0.030 . 1 . . . . 39 ARG H . 10056 1 425 . 1 1 39 39 ARG HA H 1 4.353 0.030 . 1 . . . . 39 ARG HA . 10056 1 426 . 1 1 39 39 ARG HB2 H 1 1.787 0.030 . 2 . . . . 39 ARG HB2 . 10056 1 427 . 1 1 39 39 ARG HB3 H 1 1.993 0.030 . 2 . . . . 39 ARG HB3 . 10056 1 428 . 1 1 39 39 ARG HG2 H 1 1.799 0.030 . 2 . . . . 39 ARG HG2 . 10056 1 429 . 1 1 39 39 ARG HG3 H 1 1.903 0.030 . 2 . . . . 39 ARG HG3 . 10056 1 430 . 1 1 39 39 ARG HD2 H 1 3.268 0.030 . 2 . . . . 39 ARG HD2 . 10056 1 431 . 1 1 39 39 ARG HD3 H 1 3.381 0.030 . 2 . . . . 39 ARG HD3 . 10056 1 432 . 1 1 39 39 ARG C C 13 178.870 0.300 . 1 . . . . 39 ARG C . 10056 1 433 . 1 1 39 39 ARG CA C 13 56.546 0.300 . 1 . . . . 39 ARG CA . 10056 1 434 . 1 1 39 39 ARG CB C 13 31.262 0.300 . 1 . . . . 39 ARG CB . 10056 1 435 . 1 1 39 39 ARG CG C 13 27.953 0.300 . 1 . . . . 39 ARG CG . 10056 1 436 . 1 1 39 39 ARG CD C 13 43.971 0.300 . 1 . . . . 39 ARG CD . 10056 1 437 . 1 1 39 39 ARG N N 15 122.769 0.300 . 1 . . . . 39 ARG N . 10056 1 438 . 1 1 40 40 LEU H H 1 8.921 0.030 . 1 . . . . 40 LEU H . 10056 1 439 . 1 1 40 40 LEU HA H 1 3.702 0.030 . 1 . . . . 40 LEU HA . 10056 1 440 . 1 1 40 40 LEU HB2 H 1 1.880 0.030 . 2 . . . . 40 LEU HB2 . 10056 1 441 . 1 1 40 40 LEU HB3 H 1 1.135 0.030 . 2 . . . . 40 LEU HB3 . 10056 1 442 . 1 1 40 40 LEU HG H 1 1.328 0.030 . 1 . . . . 40 LEU HG . 10056 1 443 . 1 1 40 40 LEU HD11 H 1 0.622 0.030 . 1 . . . . 40 LEU HD1 . 10056 1 444 . 1 1 40 40 LEU HD12 H 1 0.622 0.030 . 1 . . . . 40 LEU HD1 . 10056 1 445 . 1 1 40 40 LEU HD13 H 1 0.622 0.030 . 1 . . . . 40 LEU HD1 . 10056 1 446 . 1 1 40 40 LEU HD21 H 1 0.444 0.030 . 1 . . . . 40 LEU HD2 . 10056 1 447 . 1 1 40 40 LEU HD22 H 1 0.444 0.030 . 1 . . . . 40 LEU HD2 . 10056 1 448 . 1 1 40 40 LEU HD23 H 1 0.444 0.030 . 1 . . . . 40 LEU HD2 . 10056 1 449 . 1 1 40 40 LEU C C 13 179.087 0.300 . 1 . . . . 40 LEU C . 10056 1 450 . 1 1 40 40 LEU CA C 13 59.539 0.300 . 1 . . . . 40 LEU CA . 10056 1 451 . 1 1 40 40 LEU CB C 13 42.310 0.300 . 1 . . . . 40 LEU CB . 10056 1 452 . 1 1 40 40 LEU CG C 13 27.845 0.300 . 1 . . . . 40 LEU CG . 10056 1 453 . 1 1 40 40 LEU CD1 C 13 25.411 0.300 . 2 . . . . 40 LEU CD1 . 10056 1 454 . 1 1 40 40 LEU CD2 C 13 24.579 0.300 . 2 . . . . 40 LEU CD2 . 10056 1 455 . 1 1 40 40 LEU N N 15 125.800 0.300 . 1 . . . . 40 LEU N . 10056 1 456 . 1 1 41 41 GLN H H 1 8.986 0.030 . 1 . . . . 41 GLN H . 10056 1 457 . 1 1 41 41 GLN HA H 1 3.789 0.030 . 1 . . . . 41 GLN HA . 10056 1 458 . 1 1 41 41 GLN HB2 H 1 1.933 0.030 . 2 . . . . 41 GLN HB2 . 10056 1 459 . 1 1 41 41 GLN HB3 H 1 2.169 0.030 . 2 . . . . 41 GLN HB3 . 10056 1 460 . 1 1 41 41 GLN HG2 H 1 2.258 0.030 . 2 . . . . 41 GLN HG2 . 10056 1 461 . 1 1 41 41 GLN HG3 H 1 2.230 0.030 . 2 . . . . 41 GLN HG3 . 10056 1 462 . 1 1 41 41 GLN HE21 H 1 7.436 0.030 . 2 . . . . 41 GLN HE21 . 10056 1 463 . 1 1 41 41 GLN HE22 H 1 6.791 0.030 . 2 . . . . 41 GLN HE22 . 10056 1 464 . 1 1 41 41 GLN C C 13 176.892 0.300 . 1 . . . . 41 GLN C . 10056 1 465 . 1 1 41 41 GLN CA C 13 59.811 0.300 . 1 . . . . 41 GLN CA . 10056 1 466 . 1 1 41 41 GLN CB C 13 28.395 0.300 . 1 . . . . 41 GLN CB . 10056 1 467 . 1 1 41 41 GLN CG C 13 32.935 0.300 . 1 . . . . 41 GLN CG . 10056 1 468 . 1 1 41 41 GLN N N 15 113.651 0.300 . 1 . . . . 41 GLN N . 10056 1 469 . 1 1 41 41 GLN NE2 N 15 110.680 0.300 . 1 . . . . 41 GLN NE2 . 10056 1 470 . 1 1 42 42 GLU H H 1 6.864 0.030 . 1 . . . . 42 GLU H . 10056 1 471 . 1 1 42 42 GLU HA H 1 4.211 0.030 . 1 . . . . 42 GLU HA . 10056 1 472 . 1 1 42 42 GLU HB2 H 1 2.342 0.030 . 2 . . . . 42 GLU HB2 . 10056 1 473 . 1 1 42 42 GLU HB3 H 1 2.111 0.030 . 2 . . . . 42 GLU HB3 . 10056 1 474 . 1 1 42 42 GLU HG2 H 1 2.399 0.030 . 2 . . . . 42 GLU HG2 . 10056 1 475 . 1 1 42 42 GLU HG3 H 1 2.317 0.030 . 2 . . . . 42 GLU HG3 . 10056 1 476 . 1 1 42 42 GLU C C 13 179.427 0.300 . 1 . . . . 42 GLU C . 10056 1 477 . 1 1 42 42 GLU CA C 13 58.656 0.300 . 1 . . . . 42 GLU CA . 10056 1 478 . 1 1 42 42 GLU CB C 13 30.571 0.300 . 1 . . . . 42 GLU CB . 10056 1 479 . 1 1 42 42 GLU CG C 13 37.714 0.300 . 1 . . . . 42 GLU CG . 10056 1 480 . 1 1 42 42 GLU N N 15 115.798 0.300 . 1 . . . . 42 GLU N . 10056 1 481 . 1 1 43 43 ALA H H 1 8.091 0.030 . 1 . . . . 43 ALA H . 10056 1 482 . 1 1 43 43 ALA HA H 1 4.219 0.030 . 1 . . . . 43 ALA HA . 10056 1 483 . 1 1 43 43 ALA HB1 H 1 1.390 0.030 . 1 . . . . 43 ALA HB . 10056 1 484 . 1 1 43 43 ALA HB2 H 1 1.390 0.030 . 1 . . . . 43 ALA HB . 10056 1 485 . 1 1 43 43 ALA HB3 H 1 1.390 0.030 . 1 . . . . 43 ALA HB . 10056 1 486 . 1 1 43 43 ALA C C 13 178.476 0.300 . 1 . . . . 43 ALA C . 10056 1 487 . 1 1 43 43 ALA CA C 13 53.914 0.300 . 1 . . . . 43 ALA CA . 10056 1 488 . 1 1 43 43 ALA CB C 13 18.478 0.300 . 1 . . . . 43 ALA CB . 10056 1 489 . 1 1 43 43 ALA N N 15 121.246 0.300 . 1 . . . . 43 ALA N . 10056 1 490 . 1 1 44 44 LEU H H 1 8.027 0.030 . 1 . . . . 44 LEU H . 10056 1 491 . 1 1 44 44 LEU HA H 1 4.198 0.030 . 1 . . . . 44 LEU HA . 10056 1 492 . 1 1 44 44 LEU HB2 H 1 1.774 0.030 . 2 . . . . 44 LEU HB2 . 10056 1 493 . 1 1 44 44 LEU HB3 H 1 1.417 0.030 . 2 . . . . 44 LEU HB3 . 10056 1 494 . 1 1 44 44 LEU HG H 1 1.904 0.030 . 1 . . . . 44 LEU HG . 10056 1 495 . 1 1 44 44 LEU HD11 H 1 0.855 0.030 . 1 . . . . 44 LEU HD1 . 10056 1 496 . 1 1 44 44 LEU HD12 H 1 0.855 0.030 . 1 . . . . 44 LEU HD1 . 10056 1 497 . 1 1 44 44 LEU HD13 H 1 0.855 0.030 . 1 . . . . 44 LEU HD1 . 10056 1 498 . 1 1 44 44 LEU HD21 H 1 0.827 0.030 . 1 . . . . 44 LEU HD2 . 10056 1 499 . 1 1 44 44 LEU HD22 H 1 0.827 0.030 . 1 . . . . 44 LEU HD2 . 10056 1 500 . 1 1 44 44 LEU HD23 H 1 0.827 0.030 . 1 . . . . 44 LEU HD2 . 10056 1 501 . 1 1 44 44 LEU C C 13 177.925 0.300 . 1 . . . . 44 LEU C . 10056 1 502 . 1 1 44 44 LEU CA C 13 55.874 0.300 . 1 . . . . 44 LEU CA . 10056 1 503 . 1 1 44 44 LEU CB C 13 43.043 0.300 . 1 . . . . 44 LEU CB . 10056 1 504 . 1 1 44 44 LEU CG C 13 27.333 0.300 . 1 . . . . 44 LEU CG . 10056 1 505 . 1 1 44 44 LEU CD1 C 13 24.278 0.300 . 2 . . . . 44 LEU CD1 . 10056 1 506 . 1 1 44 44 LEU CD2 C 13 26.187 0.300 . 2 . . . . 44 LEU CD2 . 10056 1 507 . 1 1 44 44 LEU N N 15 112.441 0.300 . 1 . . . . 44 LEU N . 10056 1 508 . 1 1 45 45 GLN H H 1 7.560 0.030 . 1 . . . . 45 GLN H . 10056 1 509 . 1 1 45 45 GLN HA H 1 4.051 0.030 . 1 . . . . 45 GLN HA . 10056 1 510 . 1 1 45 45 GLN HB2 H 1 2.359 0.030 . 1 . . . . 45 GLN HB2 . 10056 1 511 . 1 1 45 45 GLN HB3 H 1 2.359 0.030 . 1 . . . . 45 GLN HB3 . 10056 1 512 . 1 1 45 45 GLN HG2 H 1 2.581 0.030 . 2 . . . . 45 GLN HG2 . 10056 1 513 . 1 1 45 45 GLN HG3 H 1 2.673 0.030 . 2 . . . . 45 GLN HG3 . 10056 1 514 . 1 1 45 45 GLN HE21 H 1 6.852 0.030 . 2 . . . . 45 GLN HE21 . 10056 1 515 . 1 1 45 45 GLN HE22 H 1 7.430 0.030 . 2 . . . . 45 GLN HE22 . 10056 1 516 . 1 1 45 45 GLN C C 13 174.567 0.300 . 1 . . . . 45 GLN C . 10056 1 517 . 1 1 45 45 GLN CA C 13 62.041 0.300 . 1 . . . . 45 GLN CA . 10056 1 518 . 1 1 45 45 GLN CB C 13 25.803 0.300 . 1 . . . . 45 GLN CB . 10056 1 519 . 1 1 45 45 GLN CG C 13 33.743 0.300 . 1 . . . . 45 GLN CG . 10056 1 520 . 1 1 45 45 GLN N N 15 118.857 0.300 . 1 . . . . 45 GLN N . 10056 1 521 . 1 1 45 45 GLN NE2 N 15 111.406 0.300 . 1 . . . . 45 GLN NE2 . 10056 1 522 . 1 1 46 46 PRO HA H 1 4.421 0.030 . 1 . . . . 46 PRO HA . 10056 1 523 . 1 1 46 46 PRO HB2 H 1 2.395 0.030 . 2 . . . . 46 PRO HB2 . 10056 1 524 . 1 1 46 46 PRO HB3 H 1 1.903 0.030 . 2 . . . . 46 PRO HB3 . 10056 1 525 . 1 1 46 46 PRO HG2 H 1 2.153 0.030 . 2 . . . . 46 PRO HG2 . 10056 1 526 . 1 1 46 46 PRO HG3 H 1 2.096 0.030 . 2 . . . . 46 PRO HG3 . 10056 1 527 . 1 1 46 46 PRO HD2 H 1 3.736 0.030 . 2 . . . . 46 PRO HD2 . 10056 1 528 . 1 1 46 46 PRO HD3 H 1 3.793 0.030 . 2 . . . . 46 PRO HD3 . 10056 1 529 . 1 1 46 46 PRO C C 13 179.645 0.300 . 1 . . . . 46 PRO C . 10056 1 530 . 1 1 46 46 PRO CA C 13 66.093 0.300 . 1 . . . . 46 PRO CA . 10056 1 531 . 1 1 46 46 PRO CB C 13 31.185 0.300 . 1 . . . . 46 PRO CB . 10056 1 532 . 1 1 46 46 PRO CG C 13 28.438 0.300 . 1 . . . . 46 PRO CG . 10056 1 533 . 1 1 46 46 PRO CD C 13 50.290 0.300 . 1 . . . . 46 PRO CD . 10056 1 534 . 1 1 47 47 ILE H H 1 7.336 0.030 . 1 . . . . 47 ILE H . 10056 1 535 . 1 1 47 47 ILE HA H 1 4.007 0.030 . 1 . . . . 47 ILE HA . 10056 1 536 . 1 1 47 47 ILE HB H 1 2.117 0.030 . 1 . . . . 47 ILE HB . 10056 1 537 . 1 1 47 47 ILE HG12 H 1 1.501 0.030 . 1 . . . . 47 ILE HG12 . 10056 1 538 . 1 1 47 47 ILE HG13 H 1 1.501 0.030 . 1 . . . . 47 ILE HG13 . 10056 1 539 . 1 1 47 47 ILE HG21 H 1 0.945 0.030 . 1 . . . . 47 ILE HG2 . 10056 1 540 . 1 1 47 47 ILE HG22 H 1 0.945 0.030 . 1 . . . . 47 ILE HG2 . 10056 1 541 . 1 1 47 47 ILE HG23 H 1 0.945 0.030 . 1 . . . . 47 ILE HG2 . 10056 1 542 . 1 1 47 47 ILE HD11 H 1 0.935 0.030 . 1 . . . . 47 ILE HD1 . 10056 1 543 . 1 1 47 47 ILE HD12 H 1 0.935 0.030 . 1 . . . . 47 ILE HD1 . 10056 1 544 . 1 1 47 47 ILE HD13 H 1 0.935 0.030 . 1 . . . . 47 ILE HD1 . 10056 1 545 . 1 1 47 47 ILE C C 13 177.745 0.300 . 1 . . . . 47 ILE C . 10056 1 546 . 1 1 47 47 ILE CA C 13 62.454 0.300 . 1 . . . . 47 ILE CA . 10056 1 547 . 1 1 47 47 ILE CB C 13 37.402 0.300 . 1 . . . . 47 ILE CB . 10056 1 548 . 1 1 47 47 ILE CG1 C 13 29.158 0.300 . 1 . . . . 47 ILE CG1 . 10056 1 549 . 1 1 47 47 ILE CG2 C 13 18.251 0.300 . 1 . . . . 47 ILE CG2 . 10056 1 550 . 1 1 47 47 ILE CD1 C 13 12.646 0.300 . 1 . . . . 47 ILE CD1 . 10056 1 551 . 1 1 47 47 ILE N N 15 118.456 0.300 . 1 . . . . 47 ILE N . 10056 1 552 . 1 1 48 48 LEU H H 1 8.016 0.030 . 1 . . . . 48 LEU H . 10056 1 553 . 1 1 48 48 LEU HA H 1 3.914 0.030 . 1 . . . . 48 LEU HA . 10056 1 554 . 1 1 48 48 LEU HB2 H 1 1.810 0.030 . 2 . . . . 48 LEU HB2 . 10056 1 555 . 1 1 48 48 LEU HB3 H 1 1.625 0.030 . 2 . . . . 48 LEU HB3 . 10056 1 556 . 1 1 48 48 LEU HG H 1 1.778 0.030 . 1 . . . . 48 LEU HG . 10056 1 557 . 1 1 48 48 LEU HD11 H 1 0.767 0.030 . 1 . . . . 48 LEU HD1 . 10056 1 558 . 1 1 48 48 LEU HD12 H 1 0.767 0.030 . 1 . . . . 48 LEU HD1 . 10056 1 559 . 1 1 48 48 LEU HD13 H 1 0.767 0.030 . 1 . . . . 48 LEU HD1 . 10056 1 560 . 1 1 48 48 LEU HD21 H 1 0.689 0.030 . 1 . . . . 48 LEU HD2 . 10056 1 561 . 1 1 48 48 LEU HD22 H 1 0.689 0.030 . 1 . . . . 48 LEU HD2 . 10056 1 562 . 1 1 48 48 LEU HD23 H 1 0.689 0.030 . 1 . . . . 48 LEU HD2 . 10056 1 563 . 1 1 48 48 LEU C C 13 179.620 0.300 . 1 . . . . 48 LEU C . 10056 1 564 . 1 1 48 48 LEU CA C 13 58.380 0.300 . 1 . . . . 48 LEU CA . 10056 1 565 . 1 1 48 48 LEU CB C 13 39.318 0.300 . 1 . . . . 48 LEU CB . 10056 1 566 . 1 1 48 48 LEU CG C 13 26.905 0.300 . 1 . . . . 48 LEU CG . 10056 1 567 . 1 1 48 48 LEU CD1 C 13 26.013 0.300 . 2 . . . . 48 LEU CD1 . 10056 1 568 . 1 1 48 48 LEU CD2 C 13 23.386 0.300 . 2 . . . . 48 LEU CD2 . 10056 1 569 . 1 1 48 48 LEU N N 15 120.036 0.300 . 1 . . . . 48 LEU N . 10056 1 570 . 1 1 49 49 ALA H H 1 8.215 0.030 . 1 . . . . 49 ALA H . 10056 1 571 . 1 1 49 49 ALA HA H 1 4.206 0.030 . 1 . . . . 49 ALA HA . 10056 1 572 . 1 1 49 49 ALA HB1 H 1 1.499 0.030 . 1 . . . . 49 ALA HB . 10056 1 573 . 1 1 49 49 ALA HB2 H 1 1.499 0.030 . 1 . . . . 49 ALA HB . 10056 1 574 . 1 1 49 49 ALA HB3 H 1 1.499 0.030 . 1 . . . . 49 ALA HB . 10056 1 575 . 1 1 49 49 ALA C C 13 181.327 0.300 . 1 . . . . 49 ALA C . 10056 1 576 . 1 1 49 49 ALA CA C 13 54.999 0.300 . 1 . . . . 49 ALA CA . 10056 1 577 . 1 1 49 49 ALA CB C 13 18.096 0.300 . 1 . . . . 49 ALA CB . 10056 1 578 . 1 1 49 49 ALA N N 15 120.032 0.300 . 1 . . . . 49 ALA N . 10056 1 579 . 1 1 50 50 LYS H H 1 7.548 0.030 . 1 . . . . 50 LYS H . 10056 1 580 . 1 1 50 50 LYS HA H 1 3.992 0.030 . 1 . . . . 50 LYS HA . 10056 1 581 . 1 1 50 50 LYS HB2 H 1 1.731 0.030 . 2 . . . . 50 LYS HB2 . 10056 1 582 . 1 1 50 50 LYS HB3 H 1 1.887 0.030 . 2 . . . . 50 LYS HB3 . 10056 1 583 . 1 1 50 50 LYS HG2 H 1 1.018 0.030 . 2 . . . . 50 LYS HG2 . 10056 1 584 . 1 1 50 50 LYS HG3 H 1 1.249 0.030 . 2 . . . . 50 LYS HG3 . 10056 1 585 . 1 1 50 50 LYS HD2 H 1 1.556 0.030 . 2 . . . . 50 LYS HD2 . 10056 1 586 . 1 1 50 50 LYS HD3 H 1 1.609 0.030 . 2 . . . . 50 LYS HD3 . 10056 1 587 . 1 1 50 50 LYS HE2 H 1 2.899 0.030 . 1 . . . . 50 LYS HE2 . 10056 1 588 . 1 1 50 50 LYS HE3 H 1 2.899 0.030 . 1 . . . . 50 LYS HE3 . 10056 1 589 . 1 1 50 50 LYS C C 13 177.390 0.300 . 1 . . . . 50 LYS C . 10056 1 590 . 1 1 50 50 LYS CA C 13 58.581 0.300 . 1 . . . . 50 LYS CA . 10056 1 591 . 1 1 50 50 LYS CB C 13 32.336 0.300 . 1 . . . . 50 LYS CB . 10056 1 592 . 1 1 50 50 LYS CG C 13 24.546 0.300 . 1 . . . . 50 LYS CG . 10056 1 593 . 1 1 50 50 LYS CD C 13 29.196 0.300 . 1 . . . . 50 LYS CD . 10056 1 594 . 1 1 50 50 LYS CE C 13 42.131 0.300 . 1 . . . . 50 LYS CE . 10056 1 595 . 1 1 50 50 LYS N N 15 118.402 0.300 . 1 . . . . 50 LYS N . 10056 1 596 . 1 1 51 51 HIS H H 1 7.278 0.030 . 1 . . . . 51 HIS H . 10056 1 597 . 1 1 51 51 HIS HA H 1 4.626 0.030 . 1 . . . . 51 HIS HA . 10056 1 598 . 1 1 51 51 HIS HB2 H 1 3.431 0.030 . 2 . . . . 51 HIS HB2 . 10056 1 599 . 1 1 51 51 HIS HB3 H 1 2.633 0.030 . 2 . . . . 51 HIS HB3 . 10056 1 600 . 1 1 51 51 HIS HD2 H 1 6.977 0.030 . 1 . . . . 51 HIS HD2 . 10056 1 601 . 1 1 51 51 HIS C C 13 174.589 0.300 . 1 . . . . 51 HIS C . 10056 1 602 . 1 1 51 51 HIS CA C 13 56.522 0.300 . 1 . . . . 51 HIS CA . 10056 1 603 . 1 1 51 51 HIS CB C 13 30.592 0.300 . 1 . . . . 51 HIS CB . 10056 1 604 . 1 1 51 51 HIS CD2 C 13 120.190 0.300 . 1 . . . . 51 HIS CD2 . 10056 1 605 . 1 1 51 51 HIS N N 15 114.386 0.300 . 1 . . . . 51 HIS N . 10056 1 606 . 1 1 52 52 GLY H H 1 7.741 0.030 . 1 . . . . 52 GLY H . 10056 1 607 . 1 1 52 52 GLY HA2 H 1 3.990 0.030 . 2 . . . . 52 GLY HA2 . 10056 1 608 . 1 1 52 52 GLY HA3 H 1 3.913 0.030 . 2 . . . . 52 GLY HA3 . 10056 1 609 . 1 1 52 52 GLY C C 13 174.463 0.300 . 1 . . . . 52 GLY C . 10056 1 610 . 1 1 52 52 GLY CA C 13 46.873 0.300 . 1 . . . . 52 GLY CA . 10056 1 611 . 1 1 52 52 GLY N N 15 109.079 0.300 . 1 . . . . 52 GLY N . 10056 1 612 . 1 1 53 53 LEU H H 1 8.074 0.030 . 1 . . . . 53 LEU H . 10056 1 613 . 1 1 53 53 LEU HA H 1 4.793 0.030 . 1 . . . . 53 LEU HA . 10056 1 614 . 1 1 53 53 LEU HB2 H 1 1.607 0.030 . 2 . . . . 53 LEU HB2 . 10056 1 615 . 1 1 53 53 LEU HB3 H 1 1.239 0.030 . 2 . . . . 53 LEU HB3 . 10056 1 616 . 1 1 53 53 LEU HG H 1 1.568 0.030 . 1 . . . . 53 LEU HG . 10056 1 617 . 1 1 53 53 LEU HD11 H 1 0.772 0.030 . 1 . . . . 53 LEU HD1 . 10056 1 618 . 1 1 53 53 LEU HD12 H 1 0.772 0.030 . 1 . . . . 53 LEU HD1 . 10056 1 619 . 1 1 53 53 LEU HD13 H 1 0.772 0.030 . 1 . . . . 53 LEU HD1 . 10056 1 620 . 1 1 53 53 LEU HD21 H 1 0.844 0.030 . 1 . . . . 53 LEU HD2 . 10056 1 621 . 1 1 53 53 LEU HD22 H 1 0.844 0.030 . 1 . . . . 53 LEU HD2 . 10056 1 622 . 1 1 53 53 LEU HD23 H 1 0.844 0.030 . 1 . . . . 53 LEU HD2 . 10056 1 623 . 1 1 53 53 LEU C C 13 175.680 0.300 . 1 . . . . 53 LEU C . 10056 1 624 . 1 1 53 53 LEU CA C 13 53.286 0.300 . 1 . . . . 53 LEU CA . 10056 1 625 . 1 1 53 53 LEU CB C 13 45.564 0.300 . 1 . . . . 53 LEU CB . 10056 1 626 . 1 1 53 53 LEU CG C 13 26.653 0.300 . 1 . . . . 53 LEU CG . 10056 1 627 . 1 1 53 53 LEU CD1 C 13 26.091 0.300 . 2 . . . . 53 LEU CD1 . 10056 1 628 . 1 1 53 53 LEU CD2 C 13 23.094 0.300 . 2 . . . . 53 LEU CD2 . 10056 1 629 . 1 1 53 53 LEU N N 15 119.489 0.300 . 1 . . . . 53 LEU N . 10056 1 630 . 1 1 54 54 SER H H 1 8.421 0.030 . 1 . . . . 54 SER H . 10056 1 631 . 1 1 54 54 SER HA H 1 4.714 0.030 . 1 . . . . 54 SER HA . 10056 1 632 . 1 1 54 54 SER HB2 H 1 3.828 0.030 . 2 . . . . 54 SER HB2 . 10056 1 633 . 1 1 54 54 SER HB3 H 1 3.972 0.030 . 2 . . . . 54 SER HB3 . 10056 1 634 . 1 1 54 54 SER C C 13 175.739 0.300 . 1 . . . . 54 SER C . 10056 1 635 . 1 1 54 54 SER CA C 13 56.447 0.300 . 1 . . . . 54 SER CA . 10056 1 636 . 1 1 54 54 SER CB C 13 65.180 0.300 . 1 . . . . 54 SER CB . 10056 1 637 . 1 1 54 54 SER N N 15 115.316 0.300 . 1 . . . . 54 SER N . 10056 1 638 . 1 1 55 55 LEU H H 1 8.859 0.030 . 1 . . . . 55 LEU H . 10056 1 639 . 1 1 55 55 LEU HA H 1 3.918 0.030 . 1 . . . . 55 LEU HA . 10056 1 640 . 1 1 55 55 LEU HB2 H 1 1.684 0.030 . 2 . . . . 55 LEU HB2 . 10056 1 641 . 1 1 55 55 LEU HB3 H 1 1.620 0.030 . 2 . . . . 55 LEU HB3 . 10056 1 642 . 1 1 55 55 LEU HG H 1 1.710 0.030 . 1 . . . . 55 LEU HG . 10056 1 643 . 1 1 55 55 LEU HD11 H 1 0.924 0.030 . 1 . . . . 55 LEU HD1 . 10056 1 644 . 1 1 55 55 LEU HD12 H 1 0.924 0.030 . 1 . . . . 55 LEU HD1 . 10056 1 645 . 1 1 55 55 LEU HD13 H 1 0.924 0.030 . 1 . . . . 55 LEU HD1 . 10056 1 646 . 1 1 55 55 LEU HD21 H 1 0.847 0.030 . 1 . . . . 55 LEU HD2 . 10056 1 647 . 1 1 55 55 LEU HD22 H 1 0.847 0.030 . 1 . . . . 55 LEU HD2 . 10056 1 648 . 1 1 55 55 LEU HD23 H 1 0.847 0.030 . 1 . . . . 55 LEU HD2 . 10056 1 649 . 1 1 55 55 LEU C C 13 177.439 0.300 . 1 . . . . 55 LEU C . 10056 1 650 . 1 1 55 55 LEU CA C 13 57.787 0.300 . 1 . . . . 55 LEU CA . 10056 1 651 . 1 1 55 55 LEU CB C 13 42.042 0.300 . 1 . . . . 55 LEU CB . 10056 1 652 . 1 1 55 55 LEU CG C 13 27.234 0.300 . 1 . . . . 55 LEU CG . 10056 1 653 . 1 1 55 55 LEU CD1 C 13 25.037 0.300 . 2 . . . . 55 LEU CD1 . 10056 1 654 . 1 1 55 55 LEU CD2 C 13 24.565 0.300 . 2 . . . . 55 LEU CD2 . 10056 1 655 . 1 1 55 55 LEU N N 15 124.333 0.300 . 1 . . . . 55 LEU N . 10056 1 656 . 1 1 56 56 ASP H H 1 8.184 0.030 . 1 . . . . 56 ASP H . 10056 1 657 . 1 1 56 56 ASP HA H 1 4.495 0.030 . 1 . . . . 56 ASP HA . 10056 1 658 . 1 1 56 56 ASP HB2 H 1 2.700 0.030 . 1 . . . . 56 ASP HB2 . 10056 1 659 . 1 1 56 56 ASP HB3 H 1 2.700 0.030 . 1 . . . . 56 ASP HB3 . 10056 1 660 . 1 1 56 56 ASP C C 13 176.885 0.300 . 1 . . . . 56 ASP C . 10056 1 661 . 1 1 56 56 ASP CA C 13 55.179 0.300 . 1 . . . . 56 ASP CA . 10056 1 662 . 1 1 56 56 ASP CB C 13 40.276 0.300 . 1 . . . . 56 ASP CB . 10056 1 663 . 1 1 56 56 ASP N N 15 113.531 0.300 . 1 . . . . 56 ASP N . 10056 1 664 . 1 1 57 57 GLN H H 1 7.765 0.030 . 1 . . . . 57 GLN H . 10056 1 665 . 1 1 57 57 GLN HA H 1 4.463 0.030 . 1 . . . . 57 GLN HA . 10056 1 666 . 1 1 57 57 GLN HB2 H 1 2.294 0.030 . 2 . . . . 57 GLN HB2 . 10056 1 667 . 1 1 57 57 GLN HB3 H 1 2.189 0.030 . 2 . . . . 57 GLN HB3 . 10056 1 668 . 1 1 57 57 GLN HG2 H 1 2.354 0.030 . 1 . . . . 57 GLN HG2 . 10056 1 669 . 1 1 57 57 GLN HG3 H 1 2.354 0.030 . 1 . . . . 57 GLN HG3 . 10056 1 670 . 1 1 57 57 GLN HE21 H 1 7.594 0.030 . 2 . . . . 57 GLN HE21 . 10056 1 671 . 1 1 57 57 GLN HE22 H 1 6.870 0.030 . 2 . . . . 57 GLN HE22 . 10056 1 672 . 1 1 57 57 GLN C C 13 175.413 0.300 . 1 . . . . 57 GLN C . 10056 1 673 . 1 1 57 57 GLN CA C 13 55.657 0.300 . 1 . . . . 57 GLN CA . 10056 1 674 . 1 1 57 57 GLN CB C 13 31.269 0.300 . 1 . . . . 57 GLN CB . 10056 1 675 . 1 1 57 57 GLN CG C 13 34.595 0.300 . 1 . . . . 57 GLN CG . 10056 1 676 . 1 1 57 57 GLN N N 15 116.332 0.300 . 1 . . . . 57 GLN N . 10056 1 677 . 1 1 57 57 GLN NE2 N 15 111.778 0.300 . 1 . . . . 57 GLN NE2 . 10056 1 678 . 1 1 58 58 VAL H H 1 7.171 0.030 . 1 . . . . 58 VAL H . 10056 1 679 . 1 1 58 58 VAL HA H 1 5.079 0.030 . 1 . . . . 58 VAL HA . 10056 1 680 . 1 1 58 58 VAL HB H 1 2.161 0.030 . 1 . . . . 58 VAL HB . 10056 1 681 . 1 1 58 58 VAL HG11 H 1 0.929 0.030 . 1 . . . . 58 VAL HG1 . 10056 1 682 . 1 1 58 58 VAL HG12 H 1 0.929 0.030 . 1 . . . . 58 VAL HG1 . 10056 1 683 . 1 1 58 58 VAL HG13 H 1 0.929 0.030 . 1 . . . . 58 VAL HG1 . 10056 1 684 . 1 1 58 58 VAL HG21 H 1 0.909 0.030 . 1 . . . . 58 VAL HG2 . 10056 1 685 . 1 1 58 58 VAL HG22 H 1 0.909 0.030 . 1 . . . . 58 VAL HG2 . 10056 1 686 . 1 1 58 58 VAL HG23 H 1 0.909 0.030 . 1 . . . . 58 VAL HG2 . 10056 1 687 . 1 1 58 58 VAL C C 13 174.903 0.300 . 1 . . . . 58 VAL C . 10056 1 688 . 1 1 58 58 VAL CA C 13 59.587 0.300 . 1 . . . . 58 VAL CA . 10056 1 689 . 1 1 58 58 VAL CB C 13 34.874 0.300 . 1 . . . . 58 VAL CB . 10056 1 690 . 1 1 58 58 VAL CG1 C 13 22.344 0.300 . 2 . . . . 58 VAL CG1 . 10056 1 691 . 1 1 58 58 VAL CG2 C 13 18.635 0.300 . 2 . . . . 58 VAL CG2 . 10056 1 692 . 1 1 58 58 VAL N N 15 110.423 0.300 . 1 . . . . 58 VAL N . 10056 1 693 . 1 1 59 59 VAL H H 1 8.183 0.030 . 1 . . . . 59 VAL H . 10056 1 694 . 1 1 59 59 VAL HA H 1 4.264 0.030 . 1 . . . . 59 VAL HA . 10056 1 695 . 1 1 59 59 VAL HB H 1 2.037 0.030 . 1 . . . . 59 VAL HB . 10056 1 696 . 1 1 59 59 VAL HG11 H 1 0.927 0.030 . 1 . . . . 59 VAL HG1 . 10056 1 697 . 1 1 59 59 VAL HG12 H 1 0.927 0.030 . 1 . . . . 59 VAL HG1 . 10056 1 698 . 1 1 59 59 VAL HG13 H 1 0.927 0.030 . 1 . . . . 59 VAL HG1 . 10056 1 699 . 1 1 59 59 VAL HG21 H 1 0.938 0.030 . 1 . . . . 59 VAL HG2 . 10056 1 700 . 1 1 59 59 VAL HG22 H 1 0.938 0.030 . 1 . . . . 59 VAL HG2 . 10056 1 701 . 1 1 59 59 VAL HG23 H 1 0.938 0.030 . 1 . . . . 59 VAL HG2 . 10056 1 702 . 1 1 59 59 VAL C C 13 173.610 0.300 . 1 . . . . 59 VAL C . 10056 1 703 . 1 1 59 59 VAL CA C 13 61.834 0.300 . 1 . . . . 59 VAL CA . 10056 1 704 . 1 1 59 59 VAL CB C 13 35.339 0.300 . 1 . . . . 59 VAL CB . 10056 1 705 . 1 1 59 59 VAL CG1 C 13 21.114 0.300 . 2 . . . . 59 VAL CG1 . 10056 1 706 . 1 1 59 59 VAL CG2 C 13 21.377 0.300 . 2 . . . . 59 VAL CG2 . 10056 1 707 . 1 1 59 59 VAL N N 15 119.876 0.300 . 1 . . . . 59 VAL N . 10056 1 708 . 1 1 60 60 LEU H H 1 9.226 0.030 . 1 . . . . 60 LEU H . 10056 1 709 . 1 1 60 60 LEU HA H 1 5.437 0.030 . 1 . . . . 60 LEU HA . 10056 1 710 . 1 1 60 60 LEU HB2 H 1 1.217 0.030 . 2 . . . . 60 LEU HB2 . 10056 1 711 . 1 1 60 60 LEU HB3 H 1 1.809 0.030 . 2 . . . . 60 LEU HB3 . 10056 1 712 . 1 1 60 60 LEU HG H 1 1.549 0.030 . 1 . . . . 60 LEU HG . 10056 1 713 . 1 1 60 60 LEU HD11 H 1 0.836 0.030 . 1 . . . . 60 LEU HD1 . 10056 1 714 . 1 1 60 60 LEU HD12 H 1 0.836 0.030 . 1 . . . . 60 LEU HD1 . 10056 1 715 . 1 1 60 60 LEU HD13 H 1 0.836 0.030 . 1 . . . . 60 LEU HD1 . 10056 1 716 . 1 1 60 60 LEU HD21 H 1 0.748 0.030 . 1 . . . . 60 LEU HD2 . 10056 1 717 . 1 1 60 60 LEU HD22 H 1 0.748 0.030 . 1 . . . . 60 LEU HD2 . 10056 1 718 . 1 1 60 60 LEU HD23 H 1 0.748 0.030 . 1 . . . . 60 LEU HD2 . 10056 1 719 . 1 1 60 60 LEU C C 13 175.307 0.300 . 1 . . . . 60 LEU C . 10056 1 720 . 1 1 60 60 LEU CA C 13 53.051 0.300 . 1 . . . . 60 LEU CA . 10056 1 721 . 1 1 60 60 LEU CB C 13 45.180 0.300 . 1 . . . . 60 LEU CB . 10056 1 722 . 1 1 60 60 LEU CG C 13 27.571 0.300 . 1 . . . . 60 LEU CG . 10056 1 723 . 1 1 60 60 LEU CD1 C 13 25.639 0.300 . 2 . . . . 60 LEU CD1 . 10056 1 724 . 1 1 60 60 LEU CD2 C 13 27.430 0.300 . 2 . . . . 60 LEU CD2 . 10056 1 725 . 1 1 60 60 LEU N N 15 129.370 0.300 . 1 . . . . 60 LEU N . 10056 1 726 . 1 1 61 61 HIS H H 1 8.994 0.030 . 1 . . . . 61 HIS H . 10056 1 727 . 1 1 61 61 HIS HA H 1 5.028 0.030 . 1 . . . . 61 HIS HA . 10056 1 728 . 1 1 61 61 HIS HB2 H 1 3.151 0.030 . 1 . . . . 61 HIS HB2 . 10056 1 729 . 1 1 61 61 HIS HB3 H 1 3.151 0.030 . 1 . . . . 61 HIS HB3 . 10056 1 730 . 1 1 61 61 HIS HD2 H 1 6.791 0.030 . 1 . . . . 61 HIS HD2 . 10056 1 731 . 1 1 61 61 HIS C C 13 173.594 0.300 . 1 . . . . 61 HIS C . 10056 1 732 . 1 1 61 61 HIS CA C 13 54.351 0.300 . 1 . . . . 61 HIS CA . 10056 1 733 . 1 1 61 61 HIS CB C 13 31.764 0.300 . 1 . . . . 61 HIS CB . 10056 1 734 . 1 1 61 61 HIS CD2 C 13 121.921 0.300 . 1 . . . . 61 HIS CD2 . 10056 1 735 . 1 1 61 61 HIS N N 15 118.413 0.300 . 1 . . . . 61 HIS N . 10056 1 736 . 1 1 62 62 ARG H H 1 9.427 0.030 . 1 . . . . 62 ARG H . 10056 1 737 . 1 1 62 62 ARG HA H 1 4.677 0.030 . 1 . . . . 62 ARG HA . 10056 1 738 . 1 1 62 62 ARG HB2 H 1 1.976 0.030 . 2 . . . . 62 ARG HB2 . 10056 1 739 . 1 1 62 62 ARG HB3 H 1 1.551 0.030 . 2 . . . . 62 ARG HB3 . 10056 1 740 . 1 1 62 62 ARG HG2 H 1 1.852 0.030 . 2 . . . . 62 ARG HG2 . 10056 1 741 . 1 1 62 62 ARG HG3 H 1 1.630 0.030 . 2 . . . . 62 ARG HG3 . 10056 1 742 . 1 1 62 62 ARG HD2 H 1 3.256 0.030 . 1 . . . . 62 ARG HD2 . 10056 1 743 . 1 1 62 62 ARG HD3 H 1 3.256 0.030 . 1 . . . . 62 ARG HD3 . 10056 1 744 . 1 1 62 62 ARG C C 13 175.588 0.300 . 1 . . . . 62 ARG C . 10056 1 745 . 1 1 62 62 ARG CA C 13 55.564 0.300 . 1 . . . . 62 ARG CA . 10056 1 746 . 1 1 62 62 ARG CB C 13 28.721 0.300 . 1 . . . . 62 ARG CB . 10056 1 747 . 1 1 62 62 ARG CG C 13 29.306 0.300 . 1 . . . . 62 ARG CG . 10056 1 748 . 1 1 62 62 ARG CD C 13 43.251 0.300 . 1 . . . . 62 ARG CD . 10056 1 749 . 1 1 62 62 ARG N N 15 121.313 0.300 . 1 . . . . 62 ARG N . 10056 1 750 . 1 1 63 63 PRO HA H 1 4.414 0.030 . 1 . . . . 63 PRO HA . 10056 1 751 . 1 1 63 63 PRO HB2 H 1 2.349 0.030 . 2 . . . . 63 PRO HB2 . 10056 1 752 . 1 1 63 63 PRO HB3 H 1 1.976 0.030 . 2 . . . . 63 PRO HB3 . 10056 1 753 . 1 1 63 63 PRO HG2 H 1 1.898 0.030 . 2 . . . . 63 PRO HG2 . 10056 1 754 . 1 1 63 63 PRO HG3 H 1 2.205 0.030 . 2 . . . . 63 PRO HG3 . 10056 1 755 . 1 1 63 63 PRO HD2 H 1 4.097 0.030 . 2 . . . . 63 PRO HD2 . 10056 1 756 . 1 1 63 63 PRO HD3 H 1 3.797 0.030 . 2 . . . . 63 PRO HD3 . 10056 1 757 . 1 1 63 63 PRO CA C 13 64.472 0.300 . 1 . . . . 63 PRO CA . 10056 1 758 . 1 1 63 63 PRO CB C 13 31.362 0.300 . 1 . . . . 63 PRO CB . 10056 1 759 . 1 1 63 63 PRO CG C 13 28.153 0.300 . 1 . . . . 63 PRO CG . 10056 1 760 . 1 1 63 63 PRO CD C 13 51.073 0.300 . 1 . . . . 63 PRO CD . 10056 1 761 . 1 1 64 64 GLY HA2 H 1 4.175 0.030 . 2 . . . . 64 GLY HA2 . 10056 1 762 . 1 1 64 64 GLY HA3 H 1 3.761 0.030 . 2 . . . . 64 GLY HA3 . 10056 1 763 . 1 1 64 64 GLY C C 13 173.588 0.300 . 1 . . . . 64 GLY C . 10056 1 764 . 1 1 64 64 GLY CA C 13 45.735 0.300 . 1 . . . . 64 GLY CA . 10056 1 765 . 1 1 65 65 GLU H H 1 7.808 0.030 . 1 . . . . 65 GLU H . 10056 1 766 . 1 1 65 65 GLU HA H 1 4.624 0.030 . 1 . . . . 65 GLU HA . 10056 1 767 . 1 1 65 65 GLU HB2 H 1 2.223 0.030 . 2 . . . . 65 GLU HB2 . 10056 1 768 . 1 1 65 65 GLU HB3 H 1 2.083 0.030 . 2 . . . . 65 GLU HB3 . 10056 1 769 . 1 1 65 65 GLU HG2 H 1 2.279 0.030 . 2 . . . . 65 GLU HG2 . 10056 1 770 . 1 1 65 65 GLU HG3 H 1 2.247 0.030 . 2 . . . . 65 GLU HG3 . 10056 1 771 . 1 1 65 65 GLU C C 13 176.050 0.300 . 1 . . . . 65 GLU C . 10056 1 772 . 1 1 65 65 GLU CA C 13 55.224 0.300 . 1 . . . . 65 GLU CA . 10056 1 773 . 1 1 65 65 GLU CB C 13 32.501 0.300 . 1 . . . . 65 GLU CB . 10056 1 774 . 1 1 65 65 GLU CG C 13 36.565 0.300 . 1 . . . . 65 GLU CG . 10056 1 775 . 1 1 65 65 GLU N N 15 119.365 0.300 . 1 . . . . 65 GLU N . 10056 1 776 . 1 1 66 66 LYS HA H 1 3.985 0.030 . 1 . . . . 66 LYS HA . 10056 1 777 . 1 1 66 66 LYS HB2 H 1 1.634 0.030 . 2 . . . . 66 LYS HB2 . 10056 1 778 . 1 1 66 66 LYS HB3 H 1 1.796 0.030 . 2 . . . . 66 LYS HB3 . 10056 1 779 . 1 1 66 66 LYS HG2 H 1 1.269 0.030 . 2 . . . . 66 LYS HG2 . 10056 1 780 . 1 1 66 66 LYS HG3 H 1 1.363 0.030 . 2 . . . . 66 LYS HG3 . 10056 1 781 . 1 1 66 66 LYS HD2 H 1 1.572 0.030 . 1 . . . . 66 LYS HD2 . 10056 1 782 . 1 1 66 66 LYS HD3 H 1 1.572 0.030 . 1 . . . . 66 LYS HD3 . 10056 1 783 . 1 1 66 66 LYS HE2 H 1 2.938 0.030 . 1 . . . . 66 LYS HE2 . 10056 1 784 . 1 1 66 66 LYS HE3 H 1 2.938 0.030 . 1 . . . . 66 LYS HE3 . 10056 1 785 . 1 1 66 66 LYS C C 13 176.686 0.300 . 1 . . . . 66 LYS C . 10056 1 786 . 1 1 66 66 LYS CA C 13 55.938 0.300 . 1 . . . . 66 LYS CA . 10056 1 787 . 1 1 66 66 LYS CB C 13 33.449 0.300 . 1 . . . . 66 LYS CB . 10056 1 788 . 1 1 66 66 LYS CG C 13 24.768 0.300 . 1 . . . . 66 LYS CG . 10056 1 789 . 1 1 66 66 LYS CD C 13 28.841 0.300 . 1 . . . . 66 LYS CD . 10056 1 790 . 1 1 66 66 LYS CE C 13 42.069 0.300 . 1 . . . . 66 LYS CE . 10056 1 791 . 1 1 67 67 GLN H H 1 7.645 0.030 . 1 . . . . 67 GLN H . 10056 1 792 . 1 1 67 67 GLN HA H 1 4.554 0.030 . 1 . . . . 67 GLN HA . 10056 1 793 . 1 1 67 67 GLN HB2 H 1 2.028 0.030 . 2 . . . . 67 GLN HB2 . 10056 1 794 . 1 1 67 67 GLN HB3 H 1 2.082 0.030 . 2 . . . . 67 GLN HB3 . 10056 1 795 . 1 1 67 67 GLN HG2 H 1 2.413 0.030 . 2 . . . . 67 GLN HG2 . 10056 1 796 . 1 1 67 67 GLN HG3 H 1 2.450 0.030 . 2 . . . . 67 GLN HG3 . 10056 1 797 . 1 1 67 67 GLN HE21 H 1 7.614 0.030 . 2 . . . . 67 GLN HE21 . 10056 1 798 . 1 1 67 67 GLN HE22 H 1 6.932 0.030 . 2 . . . . 67 GLN HE22 . 10056 1 799 . 1 1 67 67 GLN C C 13 173.345 0.300 . 1 . . . . 67 GLN C . 10056 1 800 . 1 1 67 67 GLN CA C 13 53.750 0.300 . 1 . . . . 67 GLN CA . 10056 1 801 . 1 1 67 67 GLN CB C 13 29.077 0.300 . 1 . . . . 67 GLN CB . 10056 1 802 . 1 1 67 67 GLN CG C 13 33.210 0.300 . 1 . . . . 67 GLN CG . 10056 1 803 . 1 1 67 67 GLN N N 15 120.365 0.300 . 1 . . . . 67 GLN N . 10056 1 804 . 1 1 67 67 GLN NE2 N 15 112.490 0.300 . 1 . . . . 67 GLN NE2 . 10056 1 805 . 1 1 68 68 PRO HA H 1 4.532 0.030 . 1 . . . . 68 PRO HA . 10056 1 806 . 1 1 68 68 PRO HB2 H 1 2.393 0.030 . 2 . . . . 68 PRO HB2 . 10056 1 807 . 1 1 68 68 PRO HB3 H 1 2.009 0.030 . 2 . . . . 68 PRO HB3 . 10056 1 808 . 1 1 68 68 PRO HG2 H 1 2.129 0.030 . 2 . . . . 68 PRO HG2 . 10056 1 809 . 1 1 68 68 PRO HG3 H 1 1.971 0.030 . 2 . . . . 68 PRO HG3 . 10056 1 810 . 1 1 68 68 PRO HD2 H 1 3.671 0.030 . 2 . . . . 68 PRO HD2 . 10056 1 811 . 1 1 68 68 PRO HD3 H 1 4.016 0.030 . 2 . . . . 68 PRO HD3 . 10056 1 812 . 1 1 68 68 PRO C C 13 177.601 0.300 . 1 . . . . 68 PRO C . 10056 1 813 . 1 1 68 68 PRO CA C 13 62.575 0.300 . 1 . . . . 68 PRO CA . 10056 1 814 . 1 1 68 68 PRO CB C 13 32.769 0.300 . 1 . . . . 68 PRO CB . 10056 1 815 . 1 1 68 68 PRO CG C 13 27.585 0.300 . 1 . . . . 68 PRO CG . 10056 1 816 . 1 1 68 68 PRO CD C 13 51.073 0.300 . 1 . . . . 68 PRO CD . 10056 1 817 . 1 1 69 69 MET H H 1 8.788 0.030 . 1 . . . . 69 MET H . 10056 1 818 . 1 1 69 69 MET HA H 1 4.353 0.030 . 1 . . . . 69 MET HA . 10056 1 819 . 1 1 69 69 MET HB2 H 1 1.829 0.030 . 2 . . . . 69 MET HB2 . 10056 1 820 . 1 1 69 69 MET HB3 H 1 1.685 0.030 . 2 . . . . 69 MET HB3 . 10056 1 821 . 1 1 69 69 MET HG2 H 1 2.410 0.030 . 2 . . . . 69 MET HG2 . 10056 1 822 . 1 1 69 69 MET HG3 H 1 2.473 0.030 . 2 . . . . 69 MET HG3 . 10056 1 823 . 1 1 69 69 MET HE1 H 1 1.893 0.030 . 1 . . . . 69 MET HE . 10056 1 824 . 1 1 69 69 MET HE2 H 1 1.893 0.030 . 1 . . . . 69 MET HE . 10056 1 825 . 1 1 69 69 MET HE3 H 1 1.893 0.030 . 1 . . . . 69 MET HE . 10056 1 826 . 1 1 69 69 MET C C 13 175.393 0.300 . 1 . . . . 69 MET C . 10056 1 827 . 1 1 69 69 MET CA C 13 55.254 0.300 . 1 . . . . 69 MET CA . 10056 1 828 . 1 1 69 69 MET CB C 13 34.090 0.300 . 1 . . . . 69 MET CB . 10056 1 829 . 1 1 69 69 MET CG C 13 32.612 0.300 . 1 . . . . 69 MET CG . 10056 1 830 . 1 1 69 69 MET CE C 13 17.110 0.300 . 1 . . . . 69 MET CE . 10056 1 831 . 1 1 69 69 MET N N 15 122.953 0.300 . 1 . . . . 69 MET N . 10056 1 832 . 1 1 70 70 ASP H H 1 8.341 0.030 . 1 . . . . 70 ASP H . 10056 1 833 . 1 1 70 70 ASP HA H 1 4.525 0.030 . 1 . . . . 70 ASP HA . 10056 1 834 . 1 1 70 70 ASP HB2 H 1 2.887 0.030 . 2 . . . . 70 ASP HB2 . 10056 1 835 . 1 1 70 70 ASP HB3 H 1 2.583 0.030 . 2 . . . . 70 ASP HB3 . 10056 1 836 . 1 1 70 70 ASP C C 13 177.605 0.300 . 1 . . . . 70 ASP C . 10056 1 837 . 1 1 70 70 ASP CA C 13 54.082 0.300 . 1 . . . . 70 ASP CA . 10056 1 838 . 1 1 70 70 ASP CB C 13 40.947 0.300 . 1 . . . . 70 ASP CB . 10056 1 839 . 1 1 70 70 ASP N N 15 122.882 0.300 . 1 . . . . 70 ASP N . 10056 1 840 . 1 1 71 71 LEU H H 1 8.759 0.030 . 1 . . . . 71 LEU H . 10056 1 841 . 1 1 71 71 LEU HA H 1 4.130 0.030 . 1 . . . . 71 LEU HA . 10056 1 842 . 1 1 71 71 LEU HB2 H 1 1.985 0.030 . 2 . . . . 71 LEU HB2 . 10056 1 843 . 1 1 71 71 LEU HB3 H 1 1.365 0.030 . 2 . . . . 71 LEU HB3 . 10056 1 844 . 1 1 71 71 LEU HG H 1 1.942 0.030 . 1 . . . . 71 LEU HG . 10056 1 845 . 1 1 71 71 LEU HD11 H 1 0.941 0.030 . 1 . . . . 71 LEU HD1 . 10056 1 846 . 1 1 71 71 LEU HD12 H 1 0.941 0.030 . 1 . . . . 71 LEU HD1 . 10056 1 847 . 1 1 71 71 LEU HD13 H 1 0.941 0.030 . 1 . . . . 71 LEU HD1 . 10056 1 848 . 1 1 71 71 LEU HD21 H 1 0.686 0.030 . 1 . . . . 71 LEU HD2 . 10056 1 849 . 1 1 71 71 LEU HD22 H 1 0.686 0.030 . 1 . . . . 71 LEU HD2 . 10056 1 850 . 1 1 71 71 LEU HD23 H 1 0.686 0.030 . 1 . . . . 71 LEU HD2 . 10056 1 851 . 1 1 71 71 LEU C C 13 176.885 0.300 . 1 . . . . 71 LEU C . 10056 1 852 . 1 1 71 71 LEU CA C 13 55.938 0.300 . 1 . . . . 71 LEU CA . 10056 1 853 . 1 1 71 71 LEU CB C 13 40.882 0.300 . 1 . . . . 71 LEU CB . 10056 1 854 . 1 1 71 71 LEU CG C 13 26.840 0.300 . 1 . . . . 71 LEU CG . 10056 1 855 . 1 1 71 71 LEU CD1 C 13 26.367 0.300 . 2 . . . . 71 LEU CD1 . 10056 1 856 . 1 1 71 71 LEU CD2 C 13 24.022 0.300 . 2 . . . . 71 LEU CD2 . 10056 1 857 . 1 1 71 71 LEU N N 15 125.608 0.300 . 1 . . . . 71 LEU N . 10056 1 858 . 1 1 72 72 GLU H H 1 8.694 0.030 . 1 . . . . 72 GLU H . 10056 1 859 . 1 1 72 72 GLU HA H 1 4.253 0.030 . 1 . . . . 72 GLU HA . 10056 1 860 . 1 1 72 72 GLU HB2 H 1 2.035 0.030 . 2 . . . . 72 GLU HB2 . 10056 1 861 . 1 1 72 72 GLU HB3 H 1 2.153 0.030 . 2 . . . . 72 GLU HB3 . 10056 1 862 . 1 1 72 72 GLU HG2 H 1 2.391 0.030 . 2 . . . . 72 GLU HG2 . 10056 1 863 . 1 1 72 72 GLU HG3 H 1 2.196 0.030 . 2 . . . . 72 GLU HG3 . 10056 1 864 . 1 1 72 72 GLU C C 13 176.912 0.300 . 1 . . . . 72 GLU C . 10056 1 865 . 1 1 72 72 GLU CA C 13 56.619 0.300 . 1 . . . . 72 GLU CA . 10056 1 866 . 1 1 72 72 GLU CB C 13 29.283 0.300 . 1 . . . . 72 GLU CB . 10056 1 867 . 1 1 72 72 GLU CG C 13 36.565 0.300 . 1 . . . . 72 GLU CG . 10056 1 868 . 1 1 72 72 GLU N N 15 117.185 0.300 . 1 . . . . 72 GLU N . 10056 1 869 . 1 1 73 73 ASN H H 1 7.392 0.030 . 1 . . . . 73 ASN H . 10056 1 870 . 1 1 73 73 ASN HA H 1 4.716 0.030 . 1 . . . . 73 ASN HA . 10056 1 871 . 1 1 73 73 ASN HB2 H 1 2.626 0.030 . 2 . . . . 73 ASN HB2 . 10056 1 872 . 1 1 73 73 ASN HB3 H 1 2.734 0.030 . 2 . . . . 73 ASN HB3 . 10056 1 873 . 1 1 73 73 ASN HD21 H 1 7.634 0.030 . 2 . . . . 73 ASN HD21 . 10056 1 874 . 1 1 73 73 ASN HD22 H 1 7.205 0.030 . 2 . . . . 73 ASN HD22 . 10056 1 875 . 1 1 73 73 ASN C C 13 172.407 0.300 . 1 . . . . 73 ASN C . 10056 1 876 . 1 1 73 73 ASN CA C 13 51.773 0.300 . 1 . . . . 73 ASN CA . 10056 1 877 . 1 1 73 73 ASN CB C 13 37.597 0.300 . 1 . . . . 73 ASN CB . 10056 1 878 . 1 1 73 73 ASN N N 15 117.451 0.300 . 1 . . . . 73 ASN N . 10056 1 879 . 1 1 73 73 ASN ND2 N 15 111.881 0.300 . 1 . . . . 73 ASN ND2 . 10056 1 880 . 1 1 74 74 PRO HA H 1 4.918 0.030 . 1 . . . . 74 PRO HA . 10056 1 881 . 1 1 74 74 PRO HB2 H 1 2.433 0.030 . 2 . . . . 74 PRO HB2 . 10056 1 882 . 1 1 74 74 PRO HB3 H 1 2.197 0.030 . 2 . . . . 74 PRO HB3 . 10056 1 883 . 1 1 74 74 PRO HG2 H 1 2.014 0.030 . 2 . . . . 74 PRO HG2 . 10056 1 884 . 1 1 74 74 PRO HG3 H 1 2.089 0.030 . 2 . . . . 74 PRO HG3 . 10056 1 885 . 1 1 74 74 PRO HD2 H 1 3.824 0.030 . 2 . . . . 74 PRO HD2 . 10056 1 886 . 1 1 74 74 PRO HD3 H 1 3.697 0.030 . 2 . . . . 74 PRO HD3 . 10056 1 887 . 1 1 74 74 PRO C C 13 179.586 0.300 . 1 . . . . 74 PRO C . 10056 1 888 . 1 1 74 74 PRO CA C 13 61.843 0.300 . 1 . . . . 74 PRO CA . 10056 1 889 . 1 1 74 74 PRO CB C 13 31.855 0.300 . 1 . . . . 74 PRO CB . 10056 1 890 . 1 1 74 74 PRO CG C 13 27.569 0.300 . 1 . . . . 74 PRO CG . 10056 1 891 . 1 1 74 74 PRO CD C 13 50.067 0.300 . 1 . . . . 74 PRO CD . 10056 1 892 . 1 1 75 75 VAL H H 1 9.212 0.030 . 1 . . . . 75 VAL H . 10056 1 893 . 1 1 75 75 VAL HA H 1 3.440 0.030 . 1 . . . . 75 VAL HA . 10056 1 894 . 1 1 75 75 VAL HB H 1 2.063 0.030 . 1 . . . . 75 VAL HB . 10056 1 895 . 1 1 75 75 VAL HG11 H 1 0.804 0.030 . 1 . . . . 75 VAL HG1 . 10056 1 896 . 1 1 75 75 VAL HG12 H 1 0.804 0.030 . 1 . . . . 75 VAL HG1 . 10056 1 897 . 1 1 75 75 VAL HG13 H 1 0.804 0.030 . 1 . . . . 75 VAL HG1 . 10056 1 898 . 1 1 75 75 VAL HG21 H 1 0.924 0.030 . 1 . . . . 75 VAL HG2 . 10056 1 899 . 1 1 75 75 VAL HG22 H 1 0.924 0.030 . 1 . . . . 75 VAL HG2 . 10056 1 900 . 1 1 75 75 VAL HG23 H 1 0.924 0.030 . 1 . . . . 75 VAL HG2 . 10056 1 901 . 1 1 75 75 VAL C C 13 176.787 0.300 . 1 . . . . 75 VAL C . 10056 1 902 . 1 1 75 75 VAL CA C 13 65.154 0.300 . 1 . . . . 75 VAL CA . 10056 1 903 . 1 1 75 75 VAL CB C 13 31.192 0.300 . 1 . . . . 75 VAL CB . 10056 1 904 . 1 1 75 75 VAL CG1 C 13 22.031 0.300 . 2 . . . . 75 VAL CG1 . 10056 1 905 . 1 1 75 75 VAL CG2 C 13 22.514 0.300 . 2 . . . . 75 VAL CG2 . 10056 1 906 . 1 1 75 75 VAL N N 15 121.295 0.300 . 1 . . . . 75 VAL N . 10056 1 907 . 1 1 76 76 SER H H 1 8.320 0.030 . 1 . . . . 76 SER H . 10056 1 908 . 1 1 76 76 SER HA H 1 3.900 0.030 . 1 . . . . 76 SER HA . 10056 1 909 . 1 1 76 76 SER HB2 H 1 4.006 0.030 . 2 . . . . 76 SER HB2 . 10056 1 910 . 1 1 76 76 SER HB3 H 1 3.916 0.030 . 2 . . . . 76 SER HB3 . 10056 1 911 . 1 1 76 76 SER C C 13 176.303 0.300 . 1 . . . . 76 SER C . 10056 1 912 . 1 1 76 76 SER CA C 13 61.426 0.300 . 1 . . . . 76 SER CA . 10056 1 913 . 1 1 76 76 SER CB C 13 61.650 0.300 . 1 . . . . 76 SER CB . 10056 1 914 . 1 1 76 76 SER N N 15 114.101 0.300 . 1 . . . . 76 SER N . 10056 1 915 . 1 1 77 77 SER H H 1 7.817 0.030 . 1 . . . . 77 SER H . 10056 1 916 . 1 1 77 77 SER HA H 1 4.279 0.030 . 1 . . . . 77 SER HA . 10056 1 917 . 1 1 77 77 SER HB2 H 1 3.941 0.030 . 2 . . . . 77 SER HB2 . 10056 1 918 . 1 1 77 77 SER HB3 H 1 4.008 0.030 . 2 . . . . 77 SER HB3 . 10056 1 919 . 1 1 77 77 SER C C 13 174.856 0.300 . 1 . . . . 77 SER C . 10056 1 920 . 1 1 77 77 SER CA C 13 61.017 0.300 . 1 . . . . 77 SER CA . 10056 1 921 . 1 1 77 77 SER CB C 13 64.411 0.300 . 1 . . . . 77 SER CB . 10056 1 922 . 1 1 77 77 SER N N 15 117.415 0.300 . 1 . . . . 77 SER N . 10056 1 923 . 1 1 78 78 VAL H H 1 7.553 0.030 . 1 . . . . 78 VAL H . 10056 1 924 . 1 1 78 78 VAL HA H 1 4.590 0.030 . 1 . . . . 78 VAL HA . 10056 1 925 . 1 1 78 78 VAL HB H 1 2.163 0.030 . 1 . . . . 78 VAL HB . 10056 1 926 . 1 1 78 78 VAL HG11 H 1 0.598 0.030 . 1 . . . . 78 VAL HG1 . 10056 1 927 . 1 1 78 78 VAL HG12 H 1 0.598 0.030 . 1 . . . . 78 VAL HG1 . 10056 1 928 . 1 1 78 78 VAL HG13 H 1 0.598 0.030 . 1 . . . . 78 VAL HG1 . 10056 1 929 . 1 1 78 78 VAL HG21 H 1 0.018 0.030 . 1 . . . . 78 VAL HG2 . 10056 1 930 . 1 1 78 78 VAL HG22 H 1 0.018 0.030 . 1 . . . . 78 VAL HG2 . 10056 1 931 . 1 1 78 78 VAL HG23 H 1 0.018 0.030 . 1 . . . . 78 VAL HG2 . 10056 1 932 . 1 1 78 78 VAL C C 13 174.246 0.300 . 1 . . . . 78 VAL C . 10056 1 933 . 1 1 78 78 VAL CA C 13 59.650 0.300 . 1 . . . . 78 VAL CA . 10056 1 934 . 1 1 78 78 VAL CB C 13 31.407 0.300 . 1 . . . . 78 VAL CB . 10056 1 935 . 1 1 78 78 VAL CG1 C 13 21.832 0.300 . 2 . . . . 78 VAL CG1 . 10056 1 936 . 1 1 78 78 VAL CG2 C 13 19.104 0.300 . 2 . . . . 78 VAL CG2 . 10056 1 937 . 1 1 78 78 VAL N N 15 113.993 0.300 . 1 . . . . 78 VAL N . 10056 1 938 . 1 1 79 79 ALA H H 1 6.765 0.030 . 1 . . . . 79 ALA H . 10056 1 939 . 1 1 79 79 ALA HA H 1 3.947 0.030 . 1 . . . . 79 ALA HA . 10056 1 940 . 1 1 79 79 ALA HB1 H 1 1.531 0.030 . 1 . . . . 79 ALA HB . 10056 1 941 . 1 1 79 79 ALA HB2 H 1 1.531 0.030 . 1 . . . . 79 ALA HB . 10056 1 942 . 1 1 79 79 ALA HB3 H 1 1.531 0.030 . 1 . . . . 79 ALA HB . 10056 1 943 . 1 1 79 79 ALA C C 13 178.349 0.300 . 1 . . . . 79 ALA C . 10056 1 944 . 1 1 79 79 ALA CA C 13 54.463 0.300 . 1 . . . . 79 ALA CA . 10056 1 945 . 1 1 79 79 ALA CB C 13 19.447 0.300 . 1 . . . . 79 ALA CB . 10056 1 946 . 1 1 79 79 ALA N N 15 122.447 0.300 . 1 . . . . 79 ALA N . 10056 1 947 . 1 1 80 80 SER H H 1 9.355 0.030 . 1 . . . . 80 SER H . 10056 1 948 . 1 1 80 80 SER HA H 1 4.351 0.030 . 1 . . . . 80 SER HA . 10056 1 949 . 1 1 80 80 SER HB2 H 1 4.193 0.030 . 1 . . . . 80 SER HB2 . 10056 1 950 . 1 1 80 80 SER HB3 H 1 4.193 0.030 . 1 . . . . 80 SER HB3 . 10056 1 951 . 1 1 80 80 SER C C 13 173.839 0.300 . 1 . . . . 80 SER C . 10056 1 952 . 1 1 80 80 SER CA C 13 60.238 0.300 . 1 . . . . 80 SER CA . 10056 1 953 . 1 1 80 80 SER CB C 13 62.264 0.300 . 1 . . . . 80 SER CB . 10056 1 954 . 1 1 80 80 SER N N 15 114.067 0.300 . 1 . . . . 80 SER N . 10056 1 955 . 1 1 81 81 GLN H H 1 8.290 0.030 . 1 . . . . 81 GLN H . 10056 1 956 . 1 1 81 81 GLN HA H 1 4.615 0.030 . 1 . . . . 81 GLN HA . 10056 1 957 . 1 1 81 81 GLN HB2 H 1 1.984 0.030 . 2 . . . . 81 GLN HB2 . 10056 1 958 . 1 1 81 81 GLN HB3 H 1 2.155 0.030 . 2 . . . . 81 GLN HB3 . 10056 1 959 . 1 1 81 81 GLN HG2 H 1 2.293 0.030 . 1 . . . . 81 GLN HG2 . 10056 1 960 . 1 1 81 81 GLN HG3 H 1 2.293 0.030 . 1 . . . . 81 GLN HG3 . 10056 1 961 . 1 1 81 81 GLN HE21 H 1 6.665 0.030 . 2 . . . . 81 GLN HE21 . 10056 1 962 . 1 1 81 81 GLN HE22 H 1 7.496 0.030 . 2 . . . . 81 GLN HE22 . 10056 1 963 . 1 1 81 81 GLN C C 13 175.250 0.300 . 1 . . . . 81 GLN C . 10056 1 964 . 1 1 81 81 GLN CA C 13 55.407 0.300 . 1 . . . . 81 GLN CA . 10056 1 965 . 1 1 81 81 GLN CB C 13 30.340 0.300 . 1 . . . . 81 GLN CB . 10056 1 966 . 1 1 81 81 GLN CG C 13 34.072 0.300 . 1 . . . . 81 GLN CG . 10056 1 967 . 1 1 81 81 GLN N N 15 119.820 0.300 . 1 . . . . 81 GLN N . 10056 1 968 . 1 1 81 81 GLN NE2 N 15 111.608 0.300 . 1 . . . . 81 GLN NE2 . 10056 1 969 . 1 1 82 82 THR H H 1 8.210 0.030 . 1 . . . . 82 THR H . 10056 1 970 . 1 1 82 82 THR HA H 1 5.124 0.030 . 1 . . . . 82 THR HA . 10056 1 971 . 1 1 82 82 THR HB H 1 3.971 0.030 . 1 . . . . 82 THR HB . 10056 1 972 . 1 1 82 82 THR HG21 H 1 1.128 0.030 . 1 . . . . 82 THR HG2 . 10056 1 973 . 1 1 82 82 THR HG22 H 1 1.128 0.030 . 1 . . . . 82 THR HG2 . 10056 1 974 . 1 1 82 82 THR HG23 H 1 1.128 0.030 . 1 . . . . 82 THR HG2 . 10056 1 975 . 1 1 82 82 THR C C 13 173.319 0.300 . 1 . . . . 82 THR C . 10056 1 976 . 1 1 82 82 THR CA C 13 62.076 0.300 . 1 . . . . 82 THR CA . 10056 1 977 . 1 1 82 82 THR CB C 13 70.150 0.300 . 1 . . . . 82 THR CB . 10056 1 978 . 1 1 82 82 THR CG2 C 13 21.704 0.300 . 1 . . . . 82 THR CG2 . 10056 1 979 . 1 1 82 82 THR N N 15 116.515 0.300 . 1 . . . . 82 THR N . 10056 1 980 . 1 1 83 83 LEU H H 1 9.015 0.030 . 1 . . . . 83 LEU H . 10056 1 981 . 1 1 83 83 LEU HA H 1 4.767 0.030 . 1 . . . . 83 LEU HA . 10056 1 982 . 1 1 83 83 LEU HB2 H 1 1.735 0.030 . 2 . . . . 83 LEU HB2 . 10056 1 983 . 1 1 83 83 LEU HB3 H 1 1.340 0.030 . 2 . . . . 83 LEU HB3 . 10056 1 984 . 1 1 83 83 LEU HG H 1 1.641 0.030 . 1 . . . . 83 LEU HG . 10056 1 985 . 1 1 83 83 LEU HD11 H 1 0.687 0.030 . 1 . . . . 83 LEU HD1 . 10056 1 986 . 1 1 83 83 LEU HD12 H 1 0.687 0.030 . 1 . . . . 83 LEU HD1 . 10056 1 987 . 1 1 83 83 LEU HD13 H 1 0.687 0.030 . 1 . . . . 83 LEU HD1 . 10056 1 988 . 1 1 83 83 LEU HD21 H 1 0.811 0.030 . 1 . . . . 83 LEU HD2 . 10056 1 989 . 1 1 83 83 LEU HD22 H 1 0.811 0.030 . 1 . . . . 83 LEU HD2 . 10056 1 990 . 1 1 83 83 LEU HD23 H 1 0.811 0.030 . 1 . . . . 83 LEU HD2 . 10056 1 991 . 1 1 83 83 LEU C C 13 174.266 0.300 . 1 . . . . 83 LEU C . 10056 1 992 . 1 1 83 83 LEU CA C 13 52.738 0.300 . 1 . . . . 83 LEU CA . 10056 1 993 . 1 1 83 83 LEU CB C 13 45.543 0.300 . 1 . . . . 83 LEU CB . 10056 1 994 . 1 1 83 83 LEU CG C 13 27.512 0.300 . 1 . . . . 83 LEU CG . 10056 1 995 . 1 1 83 83 LEU CD1 C 13 26.067 0.300 . 2 . . . . 83 LEU CD1 . 10056 1 996 . 1 1 83 83 LEU CD2 C 13 23.602 0.300 . 2 . . . . 83 LEU CD2 . 10056 1 997 . 1 1 83 83 LEU N N 15 125.523 0.300 . 1 . . . . 83 LEU N . 10056 1 998 . 1 1 84 84 VAL H H 1 8.755 0.030 . 1 . . . . 84 VAL H . 10056 1 999 . 1 1 84 84 VAL HA H 1 4.417 0.030 . 1 . . . . 84 VAL HA . 10056 1 1000 . 1 1 84 84 VAL HB H 1 0.958 0.030 . 1 . . . . 84 VAL HB . 10056 1 1001 . 1 1 84 84 VAL HG11 H 1 0.829 0.030 . 1 . . . . 84 VAL HG1 . 10056 1 1002 . 1 1 84 84 VAL HG12 H 1 0.829 0.030 . 1 . . . . 84 VAL HG1 . 10056 1 1003 . 1 1 84 84 VAL HG13 H 1 0.829 0.030 . 1 . . . . 84 VAL HG1 . 10056 1 1004 . 1 1 84 84 VAL HG21 H 1 0.787 0.030 . 1 . . . . 84 VAL HG2 . 10056 1 1005 . 1 1 84 84 VAL HG22 H 1 0.787 0.030 . 1 . . . . 84 VAL HG2 . 10056 1 1006 . 1 1 84 84 VAL HG23 H 1 0.787 0.030 . 1 . . . . 84 VAL HG2 . 10056 1 1007 . 1 1 84 84 VAL C C 13 173.390 0.300 . 1 . . . . 84 VAL C . 10056 1 1008 . 1 1 84 84 VAL CA C 13 61.881 0.300 . 1 . . . . 84 VAL CA . 10056 1 1009 . 1 1 84 84 VAL CB C 13 33.819 0.300 . 1 . . . . 84 VAL CB . 10056 1 1010 . 1 1 84 84 VAL CG1 C 13 22.368 0.300 . 2 . . . . 84 VAL CG1 . 10056 1 1011 . 1 1 84 84 VAL CG2 C 13 20.691 0.300 . 2 . . . . 84 VAL CG2 . 10056 1 1012 . 1 1 84 84 VAL N N 15 120.735 0.300 . 1 . . . . 84 VAL N . 10056 1 1013 . 1 1 85 85 LEU H H 1 8.785 0.030 . 1 . . . . 85 LEU H . 10056 1 1014 . 1 1 85 85 LEU HA H 1 5.165 0.030 . 1 . . . . 85 LEU HA . 10056 1 1015 . 1 1 85 85 LEU HB2 H 1 1.161 0.030 . 2 . . . . 85 LEU HB2 . 10056 1 1016 . 1 1 85 85 LEU HB3 H 1 2.061 0.030 . 2 . . . . 85 LEU HB3 . 10056 1 1017 . 1 1 85 85 LEU HG H 1 1.484 0.030 . 1 . . . . 85 LEU HG . 10056 1 1018 . 1 1 85 85 LEU HD11 H 1 0.849 0.030 . 1 . . . . 85 LEU HD1 . 10056 1 1019 . 1 1 85 85 LEU HD12 H 1 0.849 0.030 . 1 . . . . 85 LEU HD1 . 10056 1 1020 . 1 1 85 85 LEU HD13 H 1 0.849 0.030 . 1 . . . . 85 LEU HD1 . 10056 1 1021 . 1 1 85 85 LEU HD21 H 1 0.753 0.030 . 1 . . . . 85 LEU HD2 . 10056 1 1022 . 1 1 85 85 LEU HD22 H 1 0.753 0.030 . 1 . . . . 85 LEU HD2 . 10056 1 1023 . 1 1 85 85 LEU HD23 H 1 0.753 0.030 . 1 . . . . 85 LEU HD2 . 10056 1 1024 . 1 1 85 85 LEU C C 13 174.971 0.300 . 1 . . . . 85 LEU C . 10056 1 1025 . 1 1 85 85 LEU CA C 13 53.306 0.300 . 1 . . . . 85 LEU CA . 10056 1 1026 . 1 1 85 85 LEU CB C 13 44.699 0.300 . 1 . . . . 85 LEU CB . 10056 1 1027 . 1 1 85 85 LEU CG C 13 27.705 0.300 . 1 . . . . 85 LEU CG . 10056 1 1028 . 1 1 85 85 LEU CD1 C 13 25.914 0.300 . 2 . . . . 85 LEU CD1 . 10056 1 1029 . 1 1 85 85 LEU CD2 C 13 25.998 0.300 . 2 . . . . 85 LEU CD2 . 10056 1 1030 . 1 1 85 85 LEU N N 15 127.976 0.300 . 1 . . . . 85 LEU N . 10056 1 1031 . 1 1 86 86 ASP H H 1 9.214 0.030 . 1 . . . . 86 ASP H . 10056 1 1032 . 1 1 86 86 ASP HA H 1 4.991 0.030 . 1 . . . . 86 ASP HA . 10056 1 1033 . 1 1 86 86 ASP HB2 H 1 2.632 0.030 . 2 . . . . 86 ASP HB2 . 10056 1 1034 . 1 1 86 86 ASP HB3 H 1 2.823 0.030 . 2 . . . . 86 ASP HB3 . 10056 1 1035 . 1 1 86 86 ASP C C 13 175.625 0.300 . 1 . . . . 86 ASP C . 10056 1 1036 . 1 1 86 86 ASP CA C 13 53.502 0.300 . 1 . . . . 86 ASP CA . 10056 1 1037 . 1 1 86 86 ASP CB C 13 43.182 0.300 . 1 . . . . 86 ASP CB . 10056 1 1038 . 1 1 86 86 ASP N N 15 128.543 0.300 . 1 . . . . 86 ASP N . 10056 1 1039 . 1 1 87 87 THR H H 1 8.331 0.030 . 1 . . . . 87 THR H . 10056 1 1040 . 1 1 87 87 THR HA H 1 4.922 0.030 . 1 . . . . 87 THR HA . 10056 1 1041 . 1 1 87 87 THR HB H 1 4.238 0.030 . 1 . . . . 87 THR HB . 10056 1 1042 . 1 1 87 87 THR HG21 H 1 1.170 0.030 . 1 . . . . 87 THR HG2 . 10056 1 1043 . 1 1 87 87 THR HG22 H 1 1.170 0.030 . 1 . . . . 87 THR HG2 . 10056 1 1044 . 1 1 87 87 THR HG23 H 1 1.170 0.030 . 1 . . . . 87 THR HG2 . 10056 1 1045 . 1 1 87 87 THR C C 13 172.546 0.300 . 1 . . . . 87 THR C . 10056 1 1046 . 1 1 87 87 THR CA C 13 58.554 0.300 . 1 . . . . 87 THR CA . 10056 1 1047 . 1 1 87 87 THR CB C 13 69.324 0.300 . 1 . . . . 87 THR CB . 10056 1 1048 . 1 1 87 87 THR CG2 C 13 21.990 0.300 . 1 . . . . 87 THR CG2 . 10056 1 1049 . 1 1 87 87 THR N N 15 112.853 0.300 . 1 . . . . 87 THR N . 10056 1 1050 . 1 1 88 88 PRO HA H 1 4.745 0.030 . 1 . . . . 88 PRO HA . 10056 1 1051 . 1 1 88 88 PRO HB2 H 1 2.430 0.030 . 2 . . . . 88 PRO HB2 . 10056 1 1052 . 1 1 88 88 PRO HB3 H 1 1.975 0.030 . 2 . . . . 88 PRO HB3 . 10056 1 1053 . 1 1 88 88 PRO HG2 H 1 2.089 0.030 . 2 . . . . 88 PRO HG2 . 10056 1 1054 . 1 1 88 88 PRO HG3 H 1 2.031 0.030 . 2 . . . . 88 PRO HG3 . 10056 1 1055 . 1 1 88 88 PRO HD2 H 1 3.826 0.030 . 2 . . . . 88 PRO HD2 . 10056 1 1056 . 1 1 88 88 PRO HD3 H 1 3.628 0.030 . 2 . . . . 88 PRO HD3 . 10056 1 1057 . 1 1 88 88 PRO CB C 13 31.016 0.300 . 1 . . . . 88 PRO CB . 10056 1 1058 . 1 1 88 88 PRO CG C 13 27.631 0.300 . 1 . . . . 88 PRO CG . 10056 1 1059 . 1 1 88 88 PRO CD C 13 50.738 0.300 . 1 . . . . 88 PRO CD . 10056 1 1060 . 1 1 89 89 PRO HA H 1 4.424 0.030 . 1 . . . . 89 PRO HA . 10056 1 1061 . 1 1 89 89 PRO HB2 H 1 1.957 0.030 . 2 . . . . 89 PRO HB2 . 10056 1 1062 . 1 1 89 89 PRO HB3 H 1 2.324 0.030 . 2 . . . . 89 PRO HB3 . 10056 1 1063 . 1 1 89 89 PRO HG2 H 1 2.042 0.030 . 1 . . . . 89 PRO HG2 . 10056 1 1064 . 1 1 89 89 PRO HG3 H 1 2.042 0.030 . 1 . . . . 89 PRO HG3 . 10056 1 1065 . 1 1 89 89 PRO HD2 H 1 3.856 0.030 . 2 . . . . 89 PRO HD2 . 10056 1 1066 . 1 1 89 89 PRO HD3 H 1 3.735 0.030 . 2 . . . . 89 PRO HD3 . 10056 1 1067 . 1 1 89 89 PRO C C 13 176.900 0.300 . 1 . . . . 89 PRO C . 10056 1 1068 . 1 1 89 89 PRO CA C 13 63.679 0.300 . 1 . . . . 89 PRO CA . 10056 1 1069 . 1 1 89 89 PRO CB C 13 31.954 0.300 . 1 . . . . 89 PRO CB . 10056 1 1070 . 1 1 89 89 PRO CG C 13 27.173 0.300 . 1 . . . . 89 PRO CG . 10056 1 1071 . 1 1 89 89 PRO CD C 13 50.629 0.300 . 1 . . . . 89 PRO CD . 10056 1 1072 . 1 1 90 90 ASP H H 1 8.354 0.030 . 1 . . . . 90 ASP H . 10056 1 1073 . 1 1 90 90 ASP HA H 1 4.542 0.030 . 1 . . . . 90 ASP HA . 10056 1 1074 . 1 1 90 90 ASP HB2 H 1 2.697 0.030 . 1 . . . . 90 ASP HB2 . 10056 1 1075 . 1 1 90 90 ASP HB3 H 1 2.697 0.030 . 1 . . . . 90 ASP HB3 . 10056 1 1076 . 1 1 90 90 ASP C C 13 176.411 0.300 . 1 . . . . 90 ASP C . 10056 1 1077 . 1 1 90 90 ASP CA C 13 54.269 0.300 . 1 . . . . 90 ASP CA . 10056 1 1078 . 1 1 90 90 ASP CB C 13 40.969 0.300 . 1 . . . . 90 ASP CB . 10056 1 1079 . 1 1 90 90 ASP N N 15 118.615 0.300 . 1 . . . . 90 ASP N . 10056 1 1080 . 1 1 91 91 ALA H H 1 8.104 0.030 . 1 . . . . 91 ALA H . 10056 1 1081 . 1 1 91 91 ALA HA H 1 4.282 0.030 . 1 . . . . 91 ALA HA . 10056 1 1082 . 1 1 91 91 ALA HB1 H 1 1.418 0.030 . 1 . . . . 91 ALA HB . 10056 1 1083 . 1 1 91 91 ALA HB2 H 1 1.418 0.030 . 1 . . . . 91 ALA HB . 10056 1 1084 . 1 1 91 91 ALA HB3 H 1 1.418 0.030 . 1 . . . . 91 ALA HB . 10056 1 1085 . 1 1 91 91 ALA C C 13 177.943 0.300 . 1 . . . . 91 ALA C . 10056 1 1086 . 1 1 91 91 ALA CA C 13 53.103 0.300 . 1 . . . . 91 ALA CA . 10056 1 1087 . 1 1 91 91 ALA CB C 13 19.219 0.300 . 1 . . . . 91 ALA CB . 10056 1 1088 . 1 1 91 91 ALA N N 15 124.512 0.300 . 1 . . . . 91 ALA N . 10056 1 1089 . 1 1 92 92 LYS H H 1 8.266 0.030 . 1 . . . . 92 LYS H . 10056 1 1090 . 1 1 92 92 LYS HA H 1 4.288 0.030 . 1 . . . . 92 LYS HA . 10056 1 1091 . 1 1 92 92 LYS HB2 H 1 1.821 0.030 . 2 . . . . 92 LYS HB2 . 10056 1 1092 . 1 1 92 92 LYS HB3 H 1 1.853 0.030 . 2 . . . . 92 LYS HB3 . 10056 1 1093 . 1 1 92 92 LYS HG2 H 1 1.477 0.030 . 2 . . . . 92 LYS HG2 . 10056 1 1094 . 1 1 92 92 LYS HG3 H 1 1.441 0.030 . 2 . . . . 92 LYS HG3 . 10056 1 1095 . 1 1 92 92 LYS HD2 H 1 1.702 0.030 . 1 . . . . 92 LYS HD2 . 10056 1 1096 . 1 1 92 92 LYS HD3 H 1 1.702 0.030 . 1 . . . . 92 LYS HD3 . 10056 1 1097 . 1 1 92 92 LYS HE2 H 1 3.026 0.030 . 1 . . . . 92 LYS HE2 . 10056 1 1098 . 1 1 92 92 LYS HE3 H 1 3.026 0.030 . 1 . . . . 92 LYS HE3 . 10056 1 1099 . 1 1 92 92 LYS C C 13 177.114 0.300 . 1 . . . . 92 LYS C . 10056 1 1100 . 1 1 92 92 LYS CA C 13 56.624 0.300 . 1 . . . . 92 LYS CA . 10056 1 1101 . 1 1 92 92 LYS CB C 13 32.625 0.300 . 1 . . . . 92 LYS CB . 10056 1 1102 . 1 1 92 92 LYS CG C 13 24.810 0.300 . 1 . . . . 92 LYS CG . 10056 1 1103 . 1 1 92 92 LYS CD C 13 29.271 0.300 . 1 . . . . 92 LYS CD . 10056 1 1104 . 1 1 92 92 LYS CE C 13 42.096 0.300 . 1 . . . . 92 LYS CE . 10056 1 1105 . 1 1 92 92 LYS N N 15 119.556 0.300 . 1 . . . . 92 LYS N . 10056 1 1106 . 1 1 93 93 MET H H 1 8.286 0.030 . 1 . . . . 93 MET H . 10056 1 1107 . 1 1 93 93 MET HA H 1 4.495 0.030 . 1 . . . . 93 MET HA . 10056 1 1108 . 1 1 93 93 MET HB2 H 1 2.133 0.030 . 2 . . . . 93 MET HB2 . 10056 1 1109 . 1 1 93 93 MET HB3 H 1 2.058 0.030 . 2 . . . . 93 MET HB3 . 10056 1 1110 . 1 1 93 93 MET HG2 H 1 2.553 0.030 . 2 . . . . 93 MET HG2 . 10056 1 1111 . 1 1 93 93 MET HG3 H 1 2.644 0.030 . 2 . . . . 93 MET HG3 . 10056 1 1112 . 1 1 93 93 MET HE1 H 1 2.095 0.030 . 1 . . . . 93 MET HE . 10056 1 1113 . 1 1 93 93 MET HE2 H 1 2.095 0.030 . 1 . . . . 93 MET HE . 10056 1 1114 . 1 1 93 93 MET HE3 H 1 2.095 0.030 . 1 . . . . 93 MET HE . 10056 1 1115 . 1 1 93 93 MET C C 13 176.629 0.300 . 1 . . . . 93 MET C . 10056 1 1116 . 1 1 93 93 MET CA C 13 55.825 0.300 . 1 . . . . 93 MET CA . 10056 1 1117 . 1 1 93 93 MET CB C 13 32.665 0.300 . 1 . . . . 93 MET CB . 10056 1 1118 . 1 1 93 93 MET CG C 13 32.175 0.300 . 1 . . . . 93 MET CG . 10056 1 1119 . 1 1 93 93 MET CE C 13 17.053 0.300 . 1 . . . . 93 MET CE . 10056 1 1120 . 1 1 93 93 MET N N 15 120.796 0.300 . 1 . . . . 93 MET N . 10056 1 1121 . 1 1 94 94 SER H H 1 8.279 0.030 . 1 . . . . 94 SER H . 10056 1 1122 . 1 1 94 94 SER HA H 1 4.430 0.030 . 1 . . . . 94 SER HA . 10056 1 1123 . 1 1 94 94 SER HB2 H 1 3.872 0.030 . 2 . . . . 94 SER HB2 . 10056 1 1124 . 1 1 94 94 SER HB3 H 1 3.922 0.030 . 2 . . . . 94 SER HB3 . 10056 1 1125 . 1 1 94 94 SER C C 13 174.762 0.300 . 1 . . . . 94 SER C . 10056 1 1126 . 1 1 94 94 SER CA C 13 58.760 0.300 . 1 . . . . 94 SER CA . 10056 1 1127 . 1 1 94 94 SER CB C 13 63.771 0.300 . 1 . . . . 94 SER CB . 10056 1 1128 . 1 1 94 94 SER N N 15 116.505 0.300 . 1 . . . . 94 SER N . 10056 1 1129 . 1 1 95 95 GLU H H 1 8.379 0.030 . 1 . . . . 95 GLU H . 10056 1 1130 . 1 1 95 95 GLU HA H 1 4.291 0.030 . 1 . . . . 95 GLU HA . 10056 1 1131 . 1 1 95 95 GLU C C 13 176.397 0.300 . 1 . . . . 95 GLU C . 10056 1 1132 . 1 1 95 95 GLU CA C 13 56.772 0.300 . 1 . . . . 95 GLU CA . 10056 1 1133 . 1 1 95 95 GLU CB C 13 30.322 0.300 . 1 . . . . 95 GLU CB . 10056 1 1134 . 1 1 95 95 GLU CG C 13 36.297 0.300 . 1 . . . . 95 GLU CG . 10056 1 1135 . 1 1 95 95 GLU N N 15 122.731 0.300 . 1 . . . . 95 GLU N . 10056 1 1136 . 1 1 96 96 ALA H H 1 8.272 0.030 . 1 . . . . 96 ALA H . 10056 1 1137 . 1 1 96 96 ALA HA H 1 4.321 0.030 . 1 . . . . 96 ALA HA . 10056 1 1138 . 1 1 96 96 ALA HB1 H 1 1.409 0.030 . 1 . . . . 96 ALA HB . 10056 1 1139 . 1 1 96 96 ALA HB2 H 1 1.409 0.030 . 1 . . . . 96 ALA HB . 10056 1 1140 . 1 1 96 96 ALA HB3 H 1 1.409 0.030 . 1 . . . . 96 ALA HB . 10056 1 1141 . 1 1 96 96 ALA C C 13 177.875 0.300 . 1 . . . . 96 ALA C . 10056 1 1142 . 1 1 96 96 ALA CA C 13 52.751 0.300 . 1 . . . . 96 ALA CA . 10056 1 1143 . 1 1 96 96 ALA CB C 13 19.080 0.300 . 1 . . . . 96 ALA CB . 10056 1 1144 . 1 1 96 96 ALA N N 15 124.867 0.300 . 1 . . . . 96 ALA N . 10056 1 1145 . 1 1 97 97 ARG H H 1 8.289 0.030 . 1 . . . . 97 ARG H . 10056 1 1146 . 1 1 97 97 ARG HA H 1 4.389 0.030 . 1 . . . . 97 ARG HA . 10056 1 1147 . 1 1 97 97 ARG HB2 H 1 1.765 0.030 . 2 . . . . 97 ARG HB2 . 10056 1 1148 . 1 1 97 97 ARG HB3 H 1 1.853 0.030 . 2 . . . . 97 ARG HB3 . 10056 1 1149 . 1 1 97 97 ARG HG2 H 1 1.646 0.030 . 2 . . . . 97 ARG HG2 . 10056 1 1150 . 1 1 97 97 ARG HG3 H 1 1.590 0.030 . 2 . . . . 97 ARG HG3 . 10056 1 1151 . 1 1 97 97 ARG HD2 H 1 3.205 0.030 . 1 . . . . 97 ARG HD2 . 10056 1 1152 . 1 1 97 97 ARG HD3 H 1 3.205 0.030 . 1 . . . . 97 ARG HD3 . 10056 1 1153 . 1 1 97 97 ARG C C 13 176.544 0.300 . 1 . . . . 97 ARG C . 10056 1 1154 . 1 1 97 97 ARG CA C 13 56.119 0.300 . 1 . . . . 97 ARG CA . 10056 1 1155 . 1 1 97 97 ARG CB C 13 30.801 0.300 . 1 . . . . 97 ARG CB . 10056 1 1156 . 1 1 97 97 ARG CG C 13 27.343 0.300 . 1 . . . . 97 ARG CG . 10056 1 1157 . 1 1 97 97 ARG CD C 13 43.462 0.300 . 1 . . . . 97 ARG CD . 10056 1 1158 . 1 1 97 97 ARG N N 15 120.226 0.300 . 1 . . . . 97 ARG N . 10056 1 1159 . 1 1 100 100 GLY HA2 H 1 4.156 0.030 . 1 . . . . 100 GLY HA2 . 10056 1 1160 . 1 1 100 100 GLY HA3 H 1 4.156 0.030 . 1 . . . . 100 GLY HA3 . 10056 1 1161 . 1 1 100 100 GLY CA C 13 44.683 0.300 . 1 . . . . 100 GLY CA . 10056 1 1162 . 1 1 101 101 PRO HA H 1 4.497 0.030 . 1 . . . . 101 PRO HA . 10056 1 1163 . 1 1 101 101 PRO HB2 H 1 2.316 0.030 . 2 . . . . 101 PRO HB2 . 10056 1 1164 . 1 1 101 101 PRO HB3 H 1 1.993 0.030 . 2 . . . . 101 PRO HB3 . 10056 1 1165 . 1 1 101 101 PRO HG2 H 1 2.042 0.030 . 1 . . . . 101 PRO HG2 . 10056 1 1166 . 1 1 101 101 PRO HG3 H 1 2.042 0.030 . 1 . . . . 101 PRO HG3 . 10056 1 1167 . 1 1 101 101 PRO HD2 H 1 3.649 0.030 . 1 . . . . 101 PRO HD2 . 10056 1 1168 . 1 1 101 101 PRO HD3 H 1 3.649 0.030 . 1 . . . . 101 PRO HD3 . 10056 1 1169 . 1 1 101 101 PRO CA C 13 63.301 0.300 . 1 . . . . 101 PRO CA . 10056 1 1170 . 1 1 101 101 PRO CB C 13 32.212 0.300 . 1 . . . . 101 PRO CB . 10056 1 1171 . 1 1 101 101 PRO CG C 13 27.174 0.300 . 1 . . . . 101 PRO CG . 10056 1 1172 . 1 1 101 101 PRO CD C 13 49.828 0.300 . 1 . . . . 101 PRO CD . 10056 1 1173 . 1 1 102 102 SER H H 1 8.189 0.030 . 1 . . . . 102 SER H . 10056 1 stop_ save_