data_10124 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10124 _Entry.Title ; Solution structure of the second PDZ domain of human membrane associated guanylate kinase inverted-2 (MAGI-2) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-04-02 _Entry.Accession_date 2007-04-03 _Entry.Last_release_date 2008-09-02 _Entry.Original_release_date 2008-09-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version production.3.0.2.8 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 N. Nameki . . . 10124 2 S. Koshiba . . . 10124 3 T. Kigawa . . . 10124 4 S. Yokoyama . . . 10124 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10124 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10124 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 366 10124 '15N chemical shifts' 95 10124 '1H chemical shifts' 614 10124 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 . . 2008-09-02 2007-04-02 original author . 10124 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1UJV 'BMRB Entry Tracking System' 10124 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10124 _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 second PDZ domain of human membrane associated guanylate kinase inverted-2 (MAGI-2) ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 N. Nameki . . . 10124 1 2 S. Koshiba . . . 10124 1 3 T. Kigawa . . . 10124 1 4 S. Yokoyama . . . 10124 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10124 _Assembly.ID 1 _Assembly.Name 'MEMBRANE ASSOCIATED GUANYLATE KINASE INVERTED-2 (MAGI-2)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'MEMBRANE ASSOCIATED GUANYLATE KINASE INVERTED-2 (MAGI-2)' 1 $entity_1 A . yes native no no . . . 10124 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 1UJV . . 'solution NMR' . . . 10124 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10124 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PDZ 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 ; GSSGSSGQAELMTLTIVKGA QGFGFTIADSPTGQRVKQIL DIQGCPGLCEGDLIVEINQQ NVQNLSHTEVVDILKDCPIG SETSLIIHRGSGPSSG ; _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 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 1UJV . "Solution Structure Of The Second Pdz Domain Of Human Membrane Associated Guanylate Kinase Inverted-2 (Magi-2)" . . . . . 100.00 96 100.00 100.00 3.35e-60 . . . . 10124 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PDZ domain' . 10124 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 . 10124 1 2 . SER . 10124 1 3 . SER . 10124 1 4 . GLY . 10124 1 5 . SER . 10124 1 6 . SER . 10124 1 7 . GLY . 10124 1 8 . GLN . 10124 1 9 . ALA . 10124 1 10 . GLU . 10124 1 11 . LEU . 10124 1 12 . MET . 10124 1 13 . THR . 10124 1 14 . LEU . 10124 1 15 . THR . 10124 1 16 . ILE . 10124 1 17 . VAL . 10124 1 18 . LYS . 10124 1 19 . GLY . 10124 1 20 . ALA . 10124 1 21 . GLN . 10124 1 22 . GLY . 10124 1 23 . PHE . 10124 1 24 . GLY . 10124 1 25 . PHE . 10124 1 26 . THR . 10124 1 27 . ILE . 10124 1 28 . ALA . 10124 1 29 . ASP . 10124 1 30 . SER . 10124 1 31 . PRO . 10124 1 32 . THR . 10124 1 33 . GLY . 10124 1 34 . GLN . 10124 1 35 . ARG . 10124 1 36 . VAL . 10124 1 37 . LYS . 10124 1 38 . GLN . 10124 1 39 . ILE . 10124 1 40 . LEU . 10124 1 41 . ASP . 10124 1 42 . ILE . 10124 1 43 . GLN . 10124 1 44 . GLY . 10124 1 45 . CYS . 10124 1 46 . PRO . 10124 1 47 . GLY . 10124 1 48 . LEU . 10124 1 49 . CYS . 10124 1 50 . GLU . 10124 1 51 . GLY . 10124 1 52 . ASP . 10124 1 53 . LEU . 10124 1 54 . ILE . 10124 1 55 . VAL . 10124 1 56 . GLU . 10124 1 57 . ILE . 10124 1 58 . ASN . 10124 1 59 . GLN . 10124 1 60 . GLN . 10124 1 61 . ASN . 10124 1 62 . VAL . 10124 1 63 . GLN . 10124 1 64 . ASN . 10124 1 65 . LEU . 10124 1 66 . SER . 10124 1 67 . HIS . 10124 1 68 . THR . 10124 1 69 . GLU . 10124 1 70 . VAL . 10124 1 71 . VAL . 10124 1 72 . ASP . 10124 1 73 . ILE . 10124 1 74 . LEU . 10124 1 75 . LYS . 10124 1 76 . ASP . 10124 1 77 . CYS . 10124 1 78 . PRO . 10124 1 79 . ILE . 10124 1 80 . GLY . 10124 1 81 . SER . 10124 1 82 . GLU . 10124 1 83 . THR . 10124 1 84 . SER . 10124 1 85 . LEU . 10124 1 86 . ILE . 10124 1 87 . ILE . 10124 1 88 . HIS . 10124 1 89 . ARG . 10124 1 90 . GLY . 10124 1 91 . SER . 10124 1 92 . GLY . 10124 1 93 . PRO . 10124 1 94 . SER . 10124 1 95 . SER . 10124 1 96 . GLY . 10124 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 10124 1 . SER 2 2 10124 1 . SER 3 3 10124 1 . GLY 4 4 10124 1 . SER 5 5 10124 1 . SER 6 6 10124 1 . GLY 7 7 10124 1 . GLN 8 8 10124 1 . ALA 9 9 10124 1 . GLU 10 10 10124 1 . LEU 11 11 10124 1 . MET 12 12 10124 1 . THR 13 13 10124 1 . LEU 14 14 10124 1 . THR 15 15 10124 1 . ILE 16 16 10124 1 . VAL 17 17 10124 1 . LYS 18 18 10124 1 . GLY 19 19 10124 1 . ALA 20 20 10124 1 . GLN 21 21 10124 1 . GLY 22 22 10124 1 . PHE 23 23 10124 1 . GLY 24 24 10124 1 . PHE 25 25 10124 1 . THR 26 26 10124 1 . ILE 27 27 10124 1 . ALA 28 28 10124 1 . ASP 29 29 10124 1 . SER 30 30 10124 1 . PRO 31 31 10124 1 . THR 32 32 10124 1 . GLY 33 33 10124 1 . GLN 34 34 10124 1 . ARG 35 35 10124 1 . VAL 36 36 10124 1 . LYS 37 37 10124 1 . GLN 38 38 10124 1 . ILE 39 39 10124 1 . LEU 40 40 10124 1 . ASP 41 41 10124 1 . ILE 42 42 10124 1 . GLN 43 43 10124 1 . GLY 44 44 10124 1 . CYS 45 45 10124 1 . PRO 46 46 10124 1 . GLY 47 47 10124 1 . LEU 48 48 10124 1 . CYS 49 49 10124 1 . GLU 50 50 10124 1 . GLY 51 51 10124 1 . ASP 52 52 10124 1 . LEU 53 53 10124 1 . ILE 54 54 10124 1 . VAL 55 55 10124 1 . GLU 56 56 10124 1 . ILE 57 57 10124 1 . ASN 58 58 10124 1 . GLN 59 59 10124 1 . GLN 60 60 10124 1 . ASN 61 61 10124 1 . VAL 62 62 10124 1 . GLN 63 63 10124 1 . ASN 64 64 10124 1 . LEU 65 65 10124 1 . SER 66 66 10124 1 . HIS 67 67 10124 1 . THR 68 68 10124 1 . GLU 69 69 10124 1 . VAL 70 70 10124 1 . VAL 71 71 10124 1 . ASP 72 72 10124 1 . ILE 73 73 10124 1 . LEU 74 74 10124 1 . LYS 75 75 10124 1 . ASP 76 76 10124 1 . CYS 77 77 10124 1 . PRO 78 78 10124 1 . ILE 79 79 10124 1 . GLY 80 80 10124 1 . SER 81 81 10124 1 . GLU 82 82 10124 1 . THR 83 83 10124 1 . SER 84 84 10124 1 . LEU 85 85 10124 1 . ILE 86 86 10124 1 . ILE 87 87 10124 1 . HIS 88 88 10124 1 . ARG 89 89 10124 1 . GLY 90 90 10124 1 . SER 91 91 10124 1 . GLY 92 92 10124 1 . PRO 93 93 10124 1 . SER 94 94 10124 1 . SER 95 95 10124 1 . GLY 96 96 10124 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 10124 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 . . . human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10124 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 10124 _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 . . P021030-28 . . . . . . 10124 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10124 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PDZ domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.3 . . mM . . . . 10124 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10124 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10124 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10124 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10124 1 6 H2O . . . . . . solvent 90 . . % . . . . 10124 1 7 D2O . . . . . . solvent 10 . . % . . . . 10124 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 10124 _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' 100 0.1 mM 10124 1 pH 7.0 0.05 pH 10124 1 pressure 1 0.001 atm 10124 1 temperature 298 0.1 K 10124 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10124 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10124 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10124 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10124 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10124 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10124 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10124 _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.' . . 10124 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10124 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10124 _Software.ID 4 _Software.Name Kujira _Software.Version 0.811 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10124 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10124 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10124 _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.' . . 10124 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 10124 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 10124 _Software.ID 6 _Software.Name OPALp _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Billeter, M.' . . 10124 6 'Guntert, P.' . . 10124 6 'Koradi, R.' . . 10124 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10124 6 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 10124 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10124 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 10124 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 10124 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10124 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10124 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10124 _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 . . . . . . . . . 10124 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10124 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10124 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 10124 _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 10124 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10124 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 3.984 0.030 . 1 . . . . 7 GLY HA2 . 10124 1 2 . 1 1 7 7 GLY HA3 H 1 3.984 0.030 . 1 . . . . 7 GLY HA3 . 10124 1 3 . 1 1 7 7 GLY CA C 13 45.483 0.300 . 1 . . . . 7 GLY CA . 10124 1 4 . 1 1 8 8 GLN H H 1 8.179 0.030 . 1 . . . . 8 GLN H . 10124 1 5 . 1 1 8 8 GLN HA H 1 4.357 0.030 . 1 . . . . 8 GLN HA . 10124 1 6 . 1 1 8 8 GLN HB2 H 1 1.987 0.030 . 2 . . . . 8 GLN HB2 . 10124 1 7 . 1 1 8 8 GLN HB3 H 1 2.121 0.030 . 2 . . . . 8 GLN HB3 . 10124 1 8 . 1 1 8 8 GLN HG2 H 1 2.335 0.030 . 1 . . . . 8 GLN HG2 . 10124 1 9 . 1 1 8 8 GLN HG3 H 1 2.335 0.030 . 1 . . . . 8 GLN HG3 . 10124 1 10 . 1 1 8 8 GLN HE21 H 1 7.563 0.030 . 2 . . . . 8 GLN HE21 . 10124 1 11 . 1 1 8 8 GLN HE22 H 1 6.866 0.030 . 2 . . . . 8 GLN HE22 . 10124 1 12 . 1 1 8 8 GLN C C 13 175.574 0.300 . 1 . . . . 8 GLN C . 10124 1 13 . 1 1 8 8 GLN CA C 13 55.681 0.300 . 1 . . . . 8 GLN CA . 10124 1 14 . 1 1 8 8 GLN CB C 13 29.597 0.300 . 1 . . . . 8 GLN CB . 10124 1 15 . 1 1 8 8 GLN CG C 13 33.805 0.300 . 1 . . . . 8 GLN CG . 10124 1 16 . 1 1 8 8 GLN N N 15 119.943 0.300 . 1 . . . . 8 GLN N . 10124 1 17 . 1 1 8 8 GLN NE2 N 15 112.428 0.300 . 1 . . . . 8 GLN NE2 . 10124 1 18 . 1 1 9 9 ALA H H 1 8.303 0.030 . 1 . . . . 9 ALA H . 10124 1 19 . 1 1 9 9 ALA HA H 1 4.383 0.030 . 1 . . . . 9 ALA HA . 10124 1 20 . 1 1 9 9 ALA HB1 H 1 1.256 0.030 . 1 . . . . 9 ALA HB . 10124 1 21 . 1 1 9 9 ALA HB2 H 1 1.256 0.030 . 1 . . . . 9 ALA HB . 10124 1 22 . 1 1 9 9 ALA HB3 H 1 1.256 0.030 . 1 . . . . 9 ALA HB . 10124 1 23 . 1 1 9 9 ALA C C 13 177.211 0.300 . 1 . . . . 9 ALA C . 10124 1 24 . 1 1 9 9 ALA CA C 13 52.435 0.300 . 1 . . . . 9 ALA CA . 10124 1 25 . 1 1 9 9 ALA CB C 13 19.555 0.300 . 1 . . . . 9 ALA CB . 10124 1 26 . 1 1 9 9 ALA N N 15 125.125 0.300 . 1 . . . . 9 ALA N . 10124 1 27 . 1 1 10 10 GLU H H 1 8.437 0.030 . 1 . . . . 10 GLU H . 10124 1 28 . 1 1 10 10 GLU HA H 1 4.363 0.030 . 1 . . . . 10 GLU HA . 10124 1 29 . 1 1 10 10 GLU HB2 H 1 1.917 0.030 . 2 . . . . 10 GLU HB2 . 10124 1 30 . 1 1 10 10 GLU HB3 H 1 2.016 0.030 . 2 . . . . 10 GLU HB3 . 10124 1 31 . 1 1 10 10 GLU HG2 H 1 2.230 0.030 . 1 . . . . 10 GLU HG2 . 10124 1 32 . 1 1 10 10 GLU HG3 H 1 2.230 0.030 . 1 . . . . 10 GLU HG3 . 10124 1 33 . 1 1 10 10 GLU C C 13 175.209 0.300 . 1 . . . . 10 GLU C . 10124 1 34 . 1 1 10 10 GLU CA C 13 56.507 0.300 . 1 . . . . 10 GLU CA . 10124 1 35 . 1 1 10 10 GLU CB C 13 30.834 0.300 . 1 . . . . 10 GLU CB . 10124 1 36 . 1 1 10 10 GLU CG C 13 36.425 0.300 . 1 . . . . 10 GLU CG . 10124 1 37 . 1 1 10 10 GLU N N 15 119.848 0.300 . 1 . . . . 10 GLU N . 10124 1 38 . 1 1 11 11 LEU H H 1 8.002 0.030 . 1 . . . . 11 LEU H . 10124 1 39 . 1 1 11 11 LEU HA H 1 5.223 0.030 . 1 . . . . 11 LEU HA . 10124 1 40 . 1 1 11 11 LEU HB2 H 1 1.406 0.030 . 2 . . . . 11 LEU HB2 . 10124 1 41 . 1 1 11 11 LEU HB3 H 1 1.636 0.030 . 2 . . . . 11 LEU HB3 . 10124 1 42 . 1 1 11 11 LEU HG H 1 1.606 0.030 . 1 . . . . 11 LEU HG . 10124 1 43 . 1 1 11 11 LEU HD11 H 1 0.827 0.030 . 1 . . . . 11 LEU HD1 . 10124 1 44 . 1 1 11 11 LEU HD12 H 1 0.827 0.030 . 1 . . . . 11 LEU HD1 . 10124 1 45 . 1 1 11 11 LEU HD13 H 1 0.827 0.030 . 1 . . . . 11 LEU HD1 . 10124 1 46 . 1 1 11 11 LEU HD21 H 1 0.860 0.030 . 1 . . . . 11 LEU HD2 . 10124 1 47 . 1 1 11 11 LEU HD22 H 1 0.860 0.030 . 1 . . . . 11 LEU HD2 . 10124 1 48 . 1 1 11 11 LEU HD23 H 1 0.860 0.030 . 1 . . . . 11 LEU HD2 . 10124 1 49 . 1 1 11 11 LEU C C 13 177.175 0.300 . 1 . . . . 11 LEU C . 10124 1 50 . 1 1 11 11 LEU CA C 13 54.131 0.300 . 1 . . . . 11 LEU CA . 10124 1 51 . 1 1 11 11 LEU CB C 13 43.293 0.300 . 1 . . . . 11 LEU CB . 10124 1 52 . 1 1 11 11 LEU CG C 13 27.090 0.300 . 1 . . . . 11 LEU CG . 10124 1 53 . 1 1 11 11 LEU CD1 C 13 24.060 0.300 . 2 . . . . 11 LEU CD1 . 10124 1 54 . 1 1 11 11 LEU CD2 C 13 25.452 0.300 . 2 . . . . 11 LEU CD2 . 10124 1 55 . 1 1 11 11 LEU N N 15 123.073 0.300 . 1 . . . . 11 LEU N . 10124 1 56 . 1 1 12 12 MET H H 1 9.007 0.030 . 1 . . . . 12 MET H . 10124 1 57 . 1 1 12 12 MET HA H 1 4.776 0.030 . 1 . . . . 12 MET HA . 10124 1 58 . 1 1 12 12 MET HB2 H 1 1.770 0.030 . 2 . . . . 12 MET HB2 . 10124 1 59 . 1 1 12 12 MET HB3 H 1 1.978 0.030 . 2 . . . . 12 MET HB3 . 10124 1 60 . 1 1 12 12 MET HG2 H 1 2.368 0.030 . 1 . . . . 12 MET HG2 . 10124 1 61 . 1 1 12 12 MET HG3 H 1 2.368 0.030 . 1 . . . . 12 MET HG3 . 10124 1 62 . 1 1 12 12 MET HE1 H 1 2.024 0.030 . 1 . . . . 12 MET HE . 10124 1 63 . 1 1 12 12 MET HE2 H 1 2.024 0.030 . 1 . . . . 12 MET HE . 10124 1 64 . 1 1 12 12 MET HE3 H 1 2.024 0.030 . 1 . . . . 12 MET HE . 10124 1 65 . 1 1 12 12 MET C C 13 174.038 0.300 . 1 . . . . 12 MET C . 10124 1 66 . 1 1 12 12 MET CA C 13 54.850 0.300 . 1 . . . . 12 MET CA . 10124 1 67 . 1 1 12 12 MET CB C 13 35.964 0.300 . 1 . . . . 12 MET CB . 10124 1 68 . 1 1 12 12 MET CG C 13 31.839 0.300 . 1 . . . . 12 MET CG . 10124 1 69 . 1 1 12 12 MET CE C 13 17.379 0.300 . 1 . . . . 12 MET CE . 10124 1 70 . 1 1 12 12 MET N N 15 121.866 0.300 . 1 . . . . 12 MET N . 10124 1 71 . 1 1 13 13 THR H H 1 8.464 0.030 . 1 . . . . 13 THR H . 10124 1 72 . 1 1 13 13 THR HA H 1 5.050 0.030 . 1 . . . . 13 THR HA . 10124 1 73 . 1 1 13 13 THR HB H 1 4.027 0.030 . 1 . . . . 13 THR HB . 10124 1 74 . 1 1 13 13 THR HG21 H 1 1.123 0.030 . 1 . . . . 13 THR HG2 . 10124 1 75 . 1 1 13 13 THR HG22 H 1 1.123 0.030 . 1 . . . . 13 THR HG2 . 10124 1 76 . 1 1 13 13 THR HG23 H 1 1.123 0.030 . 1 . . . . 13 THR HG2 . 10124 1 77 . 1 1 13 13 THR C C 13 173.961 0.300 . 1 . . . . 13 THR C . 10124 1 78 . 1 1 13 13 THR CA C 13 61.464 0.300 . 1 . . . . 13 THR CA . 10124 1 79 . 1 1 13 13 THR CB C 13 69.659 0.300 . 1 . . . . 13 THR CB . 10124 1 80 . 1 1 13 13 THR CG2 C 13 21.030 0.300 . 1 . . . . 13 THR CG2 . 10124 1 81 . 1 1 13 13 THR N N 15 118.034 0.300 . 1 . . . . 13 THR N . 10124 1 82 . 1 1 14 14 LEU H H 1 9.303 0.030 . 1 . . . . 14 LEU H . 10124 1 83 . 1 1 14 14 LEU HA H 1 4.798 0.030 . 1 . . . . 14 LEU HA . 10124 1 84 . 1 1 14 14 LEU HB2 H 1 1.526 0.030 . 1 . . . . 14 LEU HB2 . 10124 1 85 . 1 1 14 14 LEU HB3 H 1 1.526 0.030 . 1 . . . . 14 LEU HB3 . 10124 1 86 . 1 1 14 14 LEU HG H 1 1.430 0.030 . 1 . . . . 14 LEU HG . 10124 1 87 . 1 1 14 14 LEU HD11 H 1 0.666 0.030 . 1 . . . . 14 LEU HD1 . 10124 1 88 . 1 1 14 14 LEU HD12 H 1 0.666 0.030 . 1 . . . . 14 LEU HD1 . 10124 1 89 . 1 1 14 14 LEU HD13 H 1 0.666 0.030 . 1 . . . . 14 LEU HD1 . 10124 1 90 . 1 1 14 14 LEU HD21 H 1 0.827 0.030 . 1 . . . . 14 LEU HD2 . 10124 1 91 . 1 1 14 14 LEU HD22 H 1 0.827 0.030 . 1 . . . . 14 LEU HD2 . 10124 1 92 . 1 1 14 14 LEU HD23 H 1 0.827 0.030 . 1 . . . . 14 LEU HD2 . 10124 1 93 . 1 1 14 14 LEU C C 13 175.566 0.300 . 1 . . . . 14 LEU C . 10124 1 94 . 1 1 14 14 LEU CA C 13 53.829 0.300 . 1 . . . . 14 LEU CA . 10124 1 95 . 1 1 14 14 LEU CB C 13 45.555 0.300 . 1 . . . . 14 LEU CB . 10124 1 96 . 1 1 14 14 LEU CG C 13 26.926 0.300 . 1 . . . . 14 LEU CG . 10124 1 97 . 1 1 14 14 LEU CD1 C 13 27.008 0.300 . 2 . . . . 14 LEU CD1 . 10124 1 98 . 1 1 14 14 LEU CD2 C 13 23.896 0.300 . 2 . . . . 14 LEU CD2 . 10124 1 99 . 1 1 14 14 LEU N N 15 127.882 0.300 . 1 . . . . 14 LEU N . 10124 1 100 . 1 1 15 15 THR H H 1 8.326 0.030 . 1 . . . . 15 THR H . 10124 1 101 . 1 1 15 15 THR HA H 1 5.133 0.030 . 1 . . . . 15 THR HA . 10124 1 102 . 1 1 15 15 THR HB H 1 3.917 0.030 . 1 . . . . 15 THR HB . 10124 1 103 . 1 1 15 15 THR HG21 H 1 1.102 0.030 . 1 . . . . 15 THR HG2 . 10124 1 104 . 1 1 15 15 THR HG22 H 1 1.102 0.030 . 1 . . . . 15 THR HG2 . 10124 1 105 . 1 1 15 15 THR HG23 H 1 1.102 0.030 . 1 . . . . 15 THR HG2 . 10124 1 106 . 1 1 15 15 THR C C 13 174.207 0.300 . 1 . . . . 15 THR C . 10124 1 107 . 1 1 15 15 THR CA C 13 61.462 0.300 . 1 . . . . 15 THR CA . 10124 1 108 . 1 1 15 15 THR CB C 13 70.365 0.300 . 1 . . . . 15 THR CB . 10124 1 109 . 1 1 15 15 THR CG2 C 13 21.849 0.300 . 1 . . . . 15 THR CG2 . 10124 1 110 . 1 1 15 15 THR N N 15 116.770 0.300 . 1 . . . . 15 THR N . 10124 1 111 . 1 1 16 16 ILE H H 1 9.142 0.030 . 1 . . . . 16 ILE H . 10124 1 112 . 1 1 16 16 ILE HA H 1 4.960 0.030 . 1 . . . . 16 ILE HA . 10124 1 113 . 1 1 16 16 ILE HB H 1 2.003 0.030 . 1 . . . . 16 ILE HB . 10124 1 114 . 1 1 16 16 ILE HG12 H 1 1.507 0.030 . 2 . . . . 16 ILE HG12 . 10124 1 115 . 1 1 16 16 ILE HG13 H 1 1.075 0.030 . 2 . . . . 16 ILE HG13 . 10124 1 116 . 1 1 16 16 ILE HG21 H 1 1.037 0.030 . 1 . . . . 16 ILE HG2 . 10124 1 117 . 1 1 16 16 ILE HG22 H 1 1.037 0.030 . 1 . . . . 16 ILE HG2 . 10124 1 118 . 1 1 16 16 ILE HG23 H 1 1.037 0.030 . 1 . . . . 16 ILE HG2 . 10124 1 119 . 1 1 16 16 ILE HD11 H 1 0.557 0.030 . 1 . . . . 16 ILE HD1 . 10124 1 120 . 1 1 16 16 ILE HD12 H 1 0.557 0.030 . 1 . . . . 16 ILE HD1 . 10124 1 121 . 1 1 16 16 ILE HD13 H 1 0.557 0.030 . 1 . . . . 16 ILE HD1 . 10124 1 122 . 1 1 16 16 ILE C C 13 174.696 0.300 . 1 . . . . 16 ILE C . 10124 1 123 . 1 1 16 16 ILE CA C 13 59.366 0.300 . 1 . . . . 16 ILE CA . 10124 1 124 . 1 1 16 16 ILE CB C 13 41.558 0.300 . 1 . . . . 16 ILE CB . 10124 1 125 . 1 1 16 16 ILE CG1 C 13 26.598 0.300 . 1 . . . . 16 ILE CG1 . 10124 1 126 . 1 1 16 16 ILE CG2 C 13 18.409 0.300 . 1 . . . . 16 ILE CG2 . 10124 1 127 . 1 1 16 16 ILE CD1 C 13 13.660 0.300 . 1 . . . . 16 ILE CD1 . 10124 1 128 . 1 1 16 16 ILE N N 15 123.265 0.300 . 1 . . . . 16 ILE N . 10124 1 129 . 1 1 17 17 VAL H H 1 9.152 0.030 . 1 . . . . 17 VAL H . 10124 1 130 . 1 1 17 17 VAL HA H 1 4.723 0.030 . 1 . . . . 17 VAL HA . 10124 1 131 . 1 1 17 17 VAL HB H 1 2.018 0.030 . 1 . . . . 17 VAL HB . 10124 1 132 . 1 1 17 17 VAL HG11 H 1 0.749 0.030 . 1 . . . . 17 VAL HG1 . 10124 1 133 . 1 1 17 17 VAL HG12 H 1 0.749 0.030 . 1 . . . . 17 VAL HG1 . 10124 1 134 . 1 1 17 17 VAL HG13 H 1 0.749 0.030 . 1 . . . . 17 VAL HG1 . 10124 1 135 . 1 1 17 17 VAL HG21 H 1 0.947 0.030 . 1 . . . . 17 VAL HG2 . 10124 1 136 . 1 1 17 17 VAL HG22 H 1 0.947 0.030 . 1 . . . . 17 VAL HG2 . 10124 1 137 . 1 1 17 17 VAL HG23 H 1 0.947 0.030 . 1 . . . . 17 VAL HG2 . 10124 1 138 . 1 1 17 17 VAL C C 13 175.953 0.300 . 1 . . . . 17 VAL C . 10124 1 139 . 1 1 17 17 VAL CA C 13 61.364 0.300 . 1 . . . . 17 VAL CA . 10124 1 140 . 1 1 17 17 VAL CB C 13 33.678 0.300 . 1 . . . . 17 VAL CB . 10124 1 141 . 1 1 17 17 VAL CG1 C 13 20.784 0.300 . 2 . . . . 17 VAL CG1 . 10124 1 142 . 1 1 17 17 VAL CG2 C 13 21.585 0.300 . 2 . . . . 17 VAL CG2 . 10124 1 143 . 1 1 17 17 VAL N N 15 125.487 0.300 . 1 . . . . 17 VAL N . 10124 1 144 . 1 1 18 18 LYS H H 1 8.103 0.030 . 1 . . . . 18 LYS H . 10124 1 145 . 1 1 18 18 LYS HA H 1 3.493 0.030 . 1 . . . . 18 LYS HA . 10124 1 146 . 1 1 18 18 LYS HB2 H 1 1.596 0.030 . 2 . . . . 18 LYS HB2 . 10124 1 147 . 1 1 18 18 LYS HB3 H 1 0.903 0.030 . 2 . . . . 18 LYS HB3 . 10124 1 148 . 1 1 18 18 LYS HG2 H 1 -0.158 0.030 . 2 . . . . 18 LYS HG2 . 10124 1 149 . 1 1 18 18 LYS HG3 H 1 1.368 0.030 . 2 . . . . 18 LYS HG3 . 10124 1 150 . 1 1 18 18 LYS HD2 H 1 1.236 0.030 . 2 . . . . 18 LYS HD2 . 10124 1 151 . 1 1 18 18 LYS HD3 H 1 0.961 0.030 . 2 . . . . 18 LYS HD3 . 10124 1 152 . 1 1 18 18 LYS HE2 H 1 2.337 0.030 . 2 . . . . 18 LYS HE2 . 10124 1 153 . 1 1 18 18 LYS HE3 H 1 2.402 0.030 . 2 . . . . 18 LYS HE3 . 10124 1 154 . 1 1 18 18 LYS C C 13 176.236 0.300 . 1 . . . . 18 LYS C . 10124 1 155 . 1 1 18 18 LYS CA C 13 57.650 0.300 . 1 . . . . 18 LYS CA . 10124 1 156 . 1 1 18 18 LYS CB C 13 32.318 0.300 . 1 . . . . 18 LYS CB . 10124 1 157 . 1 1 18 18 LYS CG C 13 24.715 0.300 . 1 . . . . 18 LYS CG . 10124 1 158 . 1 1 18 18 LYS CD C 13 29.219 0.300 . 1 . . . . 18 LYS CD . 10124 1 159 . 1 1 18 18 LYS CE C 13 42.321 0.300 . 1 . . . . 18 LYS CE . 10124 1 160 . 1 1 18 18 LYS N N 15 129.939 0.300 . 1 . . . . 18 LYS N . 10124 1 161 . 1 1 19 19 GLY H H 1 7.678 0.030 . 1 . . . . 19 GLY H . 10124 1 162 . 1 1 19 19 GLY HA2 H 1 3.947 0.030 . 2 . . . . 19 GLY HA2 . 10124 1 163 . 1 1 19 19 GLY HA3 H 1 4.450 0.030 . 2 . . . . 19 GLY HA3 . 10124 1 164 . 1 1 19 19 GLY C C 13 174.261 0.300 . 1 . . . . 19 GLY C . 10124 1 165 . 1 1 19 19 GLY CA C 13 44.313 0.300 . 1 . . . . 19 GLY CA . 10124 1 166 . 1 1 19 19 GLY N N 15 116.986 0.300 . 1 . . . . 19 GLY N . 10124 1 167 . 1 1 20 20 ALA H H 1 8.640 0.030 . 1 . . . . 20 ALA H . 10124 1 168 . 1 1 20 20 ALA HA H 1 3.977 0.030 . 1 . . . . 20 ALA HA . 10124 1 169 . 1 1 20 20 ALA HB1 H 1 1.446 0.030 . 1 . . . . 20 ALA HB . 10124 1 170 . 1 1 20 20 ALA HB2 H 1 1.446 0.030 . 1 . . . . 20 ALA HB . 10124 1 171 . 1 1 20 20 ALA HB3 H 1 1.446 0.030 . 1 . . . . 20 ALA HB . 10124 1 172 . 1 1 20 20 ALA C C 13 179.273 0.300 . 1 . . . . 20 ALA C . 10124 1 173 . 1 1 20 20 ALA CA C 13 54.933 0.300 . 1 . . . . 20 ALA CA . 10124 1 174 . 1 1 20 20 ALA CB C 13 18.570 0.300 . 1 . . . . 20 ALA CB . 10124 1 175 . 1 1 20 20 ALA N N 15 121.161 0.300 . 1 . . . . 20 ALA N . 10124 1 176 . 1 1 21 21 GLN H H 1 8.631 0.030 . 1 . . . . 21 GLN H . 10124 1 177 . 1 1 21 21 GLN HA H 1 4.497 0.030 . 1 . . . . 21 GLN HA . 10124 1 178 . 1 1 21 21 GLN HB2 H 1 1.946 0.030 . 2 . . . . 21 GLN HB2 . 10124 1 179 . 1 1 21 21 GLN HB3 H 1 2.328 0.030 . 2 . . . . 21 GLN HB3 . 10124 1 180 . 1 1 21 21 GLN HG2 H 1 2.348 0.030 . 1 . . . . 21 GLN HG2 . 10124 1 181 . 1 1 21 21 GLN HG3 H 1 2.348 0.030 . 1 . . . . 21 GLN HG3 . 10124 1 182 . 1 1 21 21 GLN HE21 H 1 7.515 0.030 . 2 . . . . 21 GLN HE21 . 10124 1 183 . 1 1 21 21 GLN HE22 H 1 6.852 0.030 . 2 . . . . 21 GLN HE22 . 10124 1 184 . 1 1 21 21 GLN C C 13 175.868 0.300 . 1 . . . . 21 GLN C . 10124 1 185 . 1 1 21 21 GLN CA C 13 54.855 0.300 . 1 . . . . 21 GLN CA . 10124 1 186 . 1 1 21 21 GLN CB C 13 28.196 0.300 . 1 . . . . 21 GLN CB . 10124 1 187 . 1 1 21 21 GLN CG C 13 34.132 0.300 . 1 . . . . 21 GLN CG . 10124 1 188 . 1 1 21 21 GLN N N 15 113.835 0.300 . 1 . . . . 21 GLN N . 10124 1 189 . 1 1 21 21 GLN NE2 N 15 112.254 0.300 . 1 . . . . 21 GLN NE2 . 10124 1 190 . 1 1 22 22 GLY H H 1 7.640 0.030 . 1 . . . . 22 GLY H . 10124 1 191 . 1 1 22 22 GLY HA2 H 1 4.566 0.030 . 2 . . . . 22 GLY HA2 . 10124 1 192 . 1 1 22 22 GLY HA3 H 1 3.277 0.030 . 2 . . . . 22 GLY HA3 . 10124 1 193 . 1 1 22 22 GLY C C 13 174.765 0.300 . 1 . . . . 22 GLY C . 10124 1 194 . 1 1 22 22 GLY CA C 13 44.108 0.300 . 1 . . . . 22 GLY CA . 10124 1 195 . 1 1 22 22 GLY N N 15 107.791 0.300 . 1 . . . . 22 GLY N . 10124 1 196 . 1 1 23 23 PHE H H 1 9.012 0.030 . 1 . . . . 23 PHE H . 10124 1 197 . 1 1 23 23 PHE HA H 1 4.675 0.030 . 1 . . . . 23 PHE HA . 10124 1 198 . 1 1 23 23 PHE HB2 H 1 3.026 0.030 . 2 . . . . 23 PHE HB2 . 10124 1 199 . 1 1 23 23 PHE HB3 H 1 2.447 0.030 . 2 . . . . 23 PHE HB3 . 10124 1 200 . 1 1 23 23 PHE HD1 H 1 7.343 0.030 . 1 . . . . 23 PHE HD1 . 10124 1 201 . 1 1 23 23 PHE HD2 H 1 7.343 0.030 . 1 . . . . 23 PHE HD2 . 10124 1 202 . 1 1 23 23 PHE HE1 H 1 7.525 0.030 . 1 . . . . 23 PHE HE1 . 10124 1 203 . 1 1 23 23 PHE HE2 H 1 7.525 0.030 . 1 . . . . 23 PHE HE2 . 10124 1 204 . 1 1 23 23 PHE HZ H 1 7.551 0.030 . 1 . . . . 23 PHE HZ . 10124 1 205 . 1 1 23 23 PHE C C 13 177.233 0.300 . 1 . . . . 23 PHE C . 10124 1 206 . 1 1 23 23 PHE CA C 13 59.981 0.300 . 1 . . . . 23 PHE CA . 10124 1 207 . 1 1 23 23 PHE CB C 13 40.683 0.300 . 1 . . . . 23 PHE CB . 10124 1 208 . 1 1 23 23 PHE CD1 C 13 131.415 0.300 . 1 . . . . 23 PHE CD1 . 10124 1 209 . 1 1 23 23 PHE CD2 C 13 131.415 0.300 . 1 . . . . 23 PHE CD2 . 10124 1 210 . 1 1 23 23 PHE CE1 C 13 132.346 0.300 . 1 . . . . 23 PHE CE1 . 10124 1 211 . 1 1 23 23 PHE CE2 C 13 132.346 0.300 . 1 . . . . 23 PHE CE2 . 10124 1 212 . 1 1 23 23 PHE CZ C 13 129.756 0.300 . 1 . . . . 23 PHE CZ . 10124 1 213 . 1 1 23 23 PHE N N 15 119.214 0.300 . 1 . . . . 23 PHE N . 10124 1 214 . 1 1 24 24 GLY H H 1 9.052 0.030 . 1 . . . . 24 GLY H . 10124 1 215 . 1 1 24 24 GLY HA2 H 1 4.225 0.030 . 1 . . . . 24 GLY HA2 . 10124 1 216 . 1 1 24 24 GLY HA3 H 1 4.225 0.030 . 1 . . . . 24 GLY HA3 . 10124 1 217 . 1 1 24 24 GLY C C 13 173.292 0.300 . 1 . . . . 24 GLY C . 10124 1 218 . 1 1 24 24 GLY CA C 13 46.363 0.300 . 1 . . . . 24 GLY CA . 10124 1 219 . 1 1 24 24 GLY N N 15 106.169 0.300 . 1 . . . . 24 GLY N . 10124 1 220 . 1 1 25 25 PHE H H 1 7.115 0.030 . 1 . . . . 25 PHE H . 10124 1 221 . 1 1 25 25 PHE HA H 1 5.635 0.030 . 1 . . . . 25 PHE HA . 10124 1 222 . 1 1 25 25 PHE HB2 H 1 3.234 0.030 . 1 . . . . 25 PHE HB2 . 10124 1 223 . 1 1 25 25 PHE HB3 H 1 3.234 0.030 . 1 . . . . 25 PHE HB3 . 10124 1 224 . 1 1 25 25 PHE HD1 H 1 7.097 0.030 . 1 . . . . 25 PHE HD1 . 10124 1 225 . 1 1 25 25 PHE HD2 H 1 7.097 0.030 . 1 . . . . 25 PHE HD2 . 10124 1 226 . 1 1 25 25 PHE HE1 H 1 6.779 0.030 . 1 . . . . 25 PHE HE1 . 10124 1 227 . 1 1 25 25 PHE HE2 H 1 6.779 0.030 . 1 . . . . 25 PHE HE2 . 10124 1 228 . 1 1 25 25 PHE HZ H 1 6.460 0.030 . 1 . . . . 25 PHE HZ . 10124 1 229 . 1 1 25 25 PHE C C 13 173.035 0.300 . 1 . . . . 25 PHE C . 10124 1 230 . 1 1 25 25 PHE CA C 13 55.010 0.300 . 1 . . . . 25 PHE CA . 10124 1 231 . 1 1 25 25 PHE CB C 13 41.962 0.300 . 1 . . . . 25 PHE CB . 10124 1 232 . 1 1 25 25 PHE CD1 C 13 133.015 0.300 . 1 . . . . 25 PHE CD1 . 10124 1 233 . 1 1 25 25 PHE CD2 C 13 133.015 0.300 . 1 . . . . 25 PHE CD2 . 10124 1 234 . 1 1 25 25 PHE CE1 C 13 130.248 0.300 . 1 . . . . 25 PHE CE1 . 10124 1 235 . 1 1 25 25 PHE CE2 C 13 130.248 0.300 . 1 . . . . 25 PHE CE2 . 10124 1 236 . 1 1 25 25 PHE CZ C 13 128.003 0.300 . 1 . . . . 25 PHE CZ . 10124 1 237 . 1 1 25 25 PHE N N 15 113.733 0.300 . 1 . . . . 25 PHE N . 10124 1 238 . 1 1 26 26 THR H H 1 9.097 0.030 . 1 . . . . 26 THR H . 10124 1 239 . 1 1 26 26 THR HA H 1 4.821 0.030 . 1 . . . . 26 THR HA . 10124 1 240 . 1 1 26 26 THR HB H 1 4.515 0.030 . 1 . . . . 26 THR HB . 10124 1 241 . 1 1 26 26 THR HG21 H 1 1.231 0.030 . 1 . . . . 26 THR HG2 . 10124 1 242 . 1 1 26 26 THR HG22 H 1 1.231 0.030 . 1 . . . . 26 THR HG2 . 10124 1 243 . 1 1 26 26 THR HG23 H 1 1.231 0.030 . 1 . . . . 26 THR HG2 . 10124 1 244 . 1 1 26 26 THR C C 13 175.310 0.300 . 1 . . . . 26 THR C . 10124 1 245 . 1 1 26 26 THR CA C 13 59.151 0.300 . 1 . . . . 26 THR CA . 10124 1 246 . 1 1 26 26 THR CB C 13 71.814 0.300 . 1 . . . . 26 THR CB . 10124 1 247 . 1 1 26 26 THR CG2 C 13 22.505 0.300 . 1 . . . . 26 THR CG2 . 10124 1 248 . 1 1 26 26 THR N N 15 112.361 0.300 . 1 . . . . 26 THR N . 10124 1 249 . 1 1 27 27 ILE H H 1 8.839 0.030 . 1 . . . . 27 ILE H . 10124 1 250 . 1 1 27 27 ILE HA H 1 5.538 0.030 . 1 . . . . 27 ILE HA . 10124 1 251 . 1 1 27 27 ILE HB H 1 1.868 0.030 . 1 . . . . 27 ILE HB . 10124 1 252 . 1 1 27 27 ILE HG12 H 1 1.139 0.030 . 2 . . . . 27 ILE HG12 . 10124 1 253 . 1 1 27 27 ILE HG13 H 1 1.469 0.030 . 2 . . . . 27 ILE HG13 . 10124 1 254 . 1 1 27 27 ILE HG21 H 1 0.938 0.030 . 1 . . . . 27 ILE HG2 . 10124 1 255 . 1 1 27 27 ILE HG22 H 1 0.938 0.030 . 1 . . . . 27 ILE HG2 . 10124 1 256 . 1 1 27 27 ILE HG23 H 1 0.938 0.030 . 1 . . . . 27 ILE HG2 . 10124 1 257 . 1 1 27 27 ILE HD11 H 1 0.747 0.030 . 1 . . . . 27 ILE HD1 . 10124 1 258 . 1 1 27 27 ILE HD12 H 1 0.747 0.030 . 1 . . . . 27 ILE HD1 . 10124 1 259 . 1 1 27 27 ILE HD13 H 1 0.747 0.030 . 1 . . . . 27 ILE HD1 . 10124 1 260 . 1 1 27 27 ILE C C 13 174.574 0.300 . 1 . . . . 27 ILE C . 10124 1 261 . 1 1 27 27 ILE CA C 13 59.350 0.300 . 1 . . . . 27 ILE CA . 10124 1 262 . 1 1 27 27 ILE CB C 13 42.668 0.300 . 1 . . . . 27 ILE CB . 10124 1 263 . 1 1 27 27 ILE CG1 C 13 25.452 0.300 . 1 . . . . 27 ILE CG1 . 10124 1 264 . 1 1 27 27 ILE CG2 C 13 18.819 0.300 . 1 . . . . 27 ILE CG2 . 10124 1 265 . 1 1 27 27 ILE CD1 C 13 14.315 0.300 . 1 . . . . 27 ILE CD1 . 10124 1 266 . 1 1 27 27 ILE N N 15 114.686 0.300 . 1 . . . . 27 ILE N . 10124 1 267 . 1 1 28 28 ALA H H 1 9.480 0.030 . 1 . . . . 28 ALA H . 10124 1 268 . 1 1 28 28 ALA HA H 1 4.716 0.030 . 1 . . . . 28 ALA HA . 10124 1 269 . 1 1 28 28 ALA HB1 H 1 1.384 0.030 . 1 . . . . 28 ALA HB . 10124 1 270 . 1 1 28 28 ALA HB2 H 1 1.384 0.030 . 1 . . . . 28 ALA HB . 10124 1 271 . 1 1 28 28 ALA HB3 H 1 1.384 0.030 . 1 . . . . 28 ALA HB . 10124 1 272 . 1 1 28 28 ALA C C 13 175.034 0.300 . 1 . . . . 28 ALA C . 10124 1 273 . 1 1 28 28 ALA CA C 13 50.614 0.300 . 1 . . . . 28 ALA CA . 10124 1 274 . 1 1 28 28 ALA CB C 13 23.168 0.300 . 1 . . . . 28 ALA CB . 10124 1 275 . 1 1 28 28 ALA N N 15 123.722 0.300 . 1 . . . . 28 ALA N . 10124 1 276 . 1 1 29 29 ASP H H 1 8.287 0.030 . 1 . . . . 29 ASP H . 10124 1 277 . 1 1 29 29 ASP HA H 1 4.814 0.030 . 1 . . . . 29 ASP HA . 10124 1 278 . 1 1 29 29 ASP HB2 H 1 2.488 0.030 . 2 . . . . 29 ASP HB2 . 10124 1 279 . 1 1 29 29 ASP HB3 H 1 2.276 0.030 . 2 . . . . 29 ASP HB3 . 10124 1 280 . 1 1 29 29 ASP C C 13 175.598 0.300 . 1 . . . . 29 ASP C . 10124 1 281 . 1 1 29 29 ASP CA C 13 54.960 0.300 . 1 . . . . 29 ASP CA . 10124 1 282 . 1 1 29 29 ASP CB C 13 42.861 0.300 . 1 . . . . 29 ASP CB . 10124 1 283 . 1 1 29 29 ASP N N 15 120.363 0.300 . 1 . . . . 29 ASP N . 10124 1 284 . 1 1 30 30 SER H H 1 8.011 0.030 . 1 . . . . 30 SER H . 10124 1 285 . 1 1 30 30 SER HA H 1 5.091 0.030 . 1 . . . . 30 SER HA . 10124 1 286 . 1 1 30 30 SER HB2 H 1 3.919 0.030 . 2 . . . . 30 SER HB2 . 10124 1 287 . 1 1 30 30 SER HB3 H 1 4.348 0.030 . 2 . . . . 30 SER HB3 . 10124 1 288 . 1 1 30 30 SER C C 13 173.175 0.300 . 1 . . . . 30 SER C . 10124 1 289 . 1 1 30 30 SER CA C 13 57.942 0.300 . 1 . . . . 30 SER CA . 10124 1 290 . 1 1 30 30 SER CB C 13 66.357 0.300 . 1 . . . . 30 SER CB . 10124 1 291 . 1 1 30 30 SER N N 15 122.533 0.300 . 1 . . . . 30 SER N . 10124 1 292 . 1 1 31 31 PRO HA H 1 4.512 0.030 . 1 . . . . 31 PRO HA . 10124 1 293 . 1 1 31 31 PRO HB2 H 1 1.990 0.030 . 2 . . . . 31 PRO HB2 . 10124 1 294 . 1 1 31 31 PRO HB3 H 1 2.547 0.030 . 2 . . . . 31 PRO HB3 . 10124 1 295 . 1 1 31 31 PRO HG2 H 1 2.174 0.030 . 2 . . . . 31 PRO HG2 . 10124 1 296 . 1 1 31 31 PRO HG3 H 1 2.056 0.030 . 2 . . . . 31 PRO HG3 . 10124 1 297 . 1 1 31 31 PRO HD2 H 1 3.981 0.030 . 2 . . . . 31 PRO HD2 . 10124 1 298 . 1 1 31 31 PRO HD3 H 1 3.874 0.030 . 2 . . . . 31 PRO HD3 . 10124 1 299 . 1 1 31 31 PRO CA C 13 65.162 0.300 . 1 . . . . 31 PRO CA . 10124 1 300 . 1 1 31 31 PRO CB C 13 32.594 0.300 . 1 . . . . 31 PRO CB . 10124 1 301 . 1 1 31 31 PRO CG C 13 27.745 0.300 . 1 . . . . 31 PRO CG . 10124 1 302 . 1 1 31 31 PRO CD C 13 50.674 0.300 . 1 . . . . 31 PRO CD . 10124 1 303 . 1 1 32 32 THR H H 1 7.648 0.030 . 1 . . . . 32 THR H . 10124 1 304 . 1 1 32 32 THR HA H 1 4.577 0.030 . 1 . . . . 32 THR HA . 10124 1 305 . 1 1 32 32 THR HB H 1 4.478 0.030 . 1 . . . . 32 THR HB . 10124 1 306 . 1 1 32 32 THR HG21 H 1 1.185 0.030 . 1 . . . . 32 THR HG2 . 10124 1 307 . 1 1 32 32 THR HG22 H 1 1.185 0.030 . 1 . . . . 32 THR HG2 . 10124 1 308 . 1 1 32 32 THR HG23 H 1 1.185 0.030 . 1 . . . . 32 THR HG2 . 10124 1 309 . 1 1 32 32 THR C C 13 172.832 0.300 . 1 . . . . 32 THR C . 10124 1 310 . 1 1 32 32 THR CA C 13 60.231 0.300 . 1 . . . . 32 THR CA . 10124 1 311 . 1 1 32 32 THR CB C 13 69.408 0.300 . 1 . . . . 32 THR CB . 10124 1 312 . 1 1 32 32 THR CG2 C 13 22.601 0.300 . 1 . . . . 32 THR CG2 . 10124 1 313 . 1 1 32 32 THR N N 15 103.978 0.300 . 1 . . . . 32 THR N . 10124 1 314 . 1 1 33 33 GLY H H 1 7.410 0.030 . 1 . . . . 33 GLY H . 10124 1 315 . 1 1 33 33 GLY HA2 H 1 4.845 0.030 . 2 . . . . 33 GLY HA2 . 10124 1 316 . 1 1 33 33 GLY HA3 H 1 4.058 0.030 . 2 . . . . 33 GLY HA3 . 10124 1 317 . 1 1 33 33 GLY C C 13 174.152 0.300 . 1 . . . . 33 GLY C . 10124 1 318 . 1 1 33 33 GLY CA C 13 44.101 0.300 . 1 . . . . 33 GLY CA . 10124 1 319 . 1 1 33 33 GLY N N 15 108.173 0.300 . 1 . . . . 33 GLY N . 10124 1 320 . 1 1 34 34 GLN H H 1 9.560 0.030 . 1 . . . . 34 GLN H . 10124 1 321 . 1 1 34 34 GLN HA H 1 4.738 0.030 . 1 . . . . 34 GLN HA . 10124 1 322 . 1 1 34 34 GLN HB2 H 1 2.035 0.030 . 1 . . . . 34 GLN HB2 . 10124 1 323 . 1 1 34 34 GLN HB3 H 1 2.035 0.030 . 1 . . . . 34 GLN HB3 . 10124 1 324 . 1 1 34 34 GLN HG2 H 1 1.994 0.030 . 2 . . . . 34 GLN HG2 . 10124 1 325 . 1 1 34 34 GLN HG3 H 1 2.827 0.030 . 2 . . . . 34 GLN HG3 . 10124 1 326 . 1 1 34 34 GLN HE21 H 1 8.092 0.030 . 2 . . . . 34 GLN HE21 . 10124 1 327 . 1 1 34 34 GLN HE22 H 1 7.886 0.030 . 2 . . . . 34 GLN HE22 . 10124 1 328 . 1 1 34 34 GLN C C 13 174.942 0.300 . 1 . . . . 34 GLN C . 10124 1 329 . 1 1 34 34 GLN CA C 13 54.442 0.300 . 1 . . . . 34 GLN CA . 10124 1 330 . 1 1 34 34 GLN CB C 13 28.443 0.300 . 1 . . . . 34 GLN CB . 10124 1 331 . 1 1 34 34 GLN CG C 13 33.559 0.300 . 1 . . . . 34 GLN CG . 10124 1 332 . 1 1 34 34 GLN N N 15 119.269 0.300 . 1 . . . . 34 GLN N . 10124 1 333 . 1 1 34 34 GLN NE2 N 15 116.000 0.300 . 1 . . . . 34 GLN NE2 . 10124 1 334 . 1 1 35 35 ARG H H 1 8.872 0.030 . 1 . . . . 35 ARG H . 10124 1 335 . 1 1 35 35 ARG HA H 1 5.627 0.030 . 1 . . . . 35 ARG HA . 10124 1 336 . 1 1 35 35 ARG HB2 H 1 1.537 0.030 . 2 . . . . 35 ARG HB2 . 10124 1 337 . 1 1 35 35 ARG HB3 H 1 1.407 0.030 . 2 . . . . 35 ARG HB3 . 10124 1 338 . 1 1 35 35 ARG HG2 H 1 1.327 0.030 . 2 . . . . 35 ARG HG2 . 10124 1 339 . 1 1 35 35 ARG HG3 H 1 1.556 0.030 . 2 . . . . 35 ARG HG3 . 10124 1 340 . 1 1 35 35 ARG HD2 H 1 3.076 0.030 . 2 . . . . 35 ARG HD2 . 10124 1 341 . 1 1 35 35 ARG HD3 H 1 3.147 0.030 . 2 . . . . 35 ARG HD3 . 10124 1 342 . 1 1 35 35 ARG HE H 1 6.521 0.030 . 1 . . . . 35 ARG HE . 10124 1 343 . 1 1 35 35 ARG C C 13 177.177 0.300 . 1 . . . . 35 ARG C . 10124 1 344 . 1 1 35 35 ARG CA C 13 52.999 0.300 . 1 . . . . 35 ARG CA . 10124 1 345 . 1 1 35 35 ARG CB C 13 34.336 0.300 . 1 . . . . 35 ARG CB . 10124 1 346 . 1 1 35 35 ARG CG C 13 29.301 0.300 . 1 . . . . 35 ARG CG . 10124 1 347 . 1 1 35 35 ARG CD C 13 43.549 0.300 . 1 . . . . 35 ARG CD . 10124 1 348 . 1 1 35 35 ARG N N 15 121.016 0.300 . 1 . . . . 35 ARG N . 10124 1 349 . 1 1 35 35 ARG NE N 15 83.769 0.300 . 1 . . . . 35 ARG NE . 10124 1 350 . 1 1 36 36 VAL H H 1 8.913 0.030 . 1 . . . . 36 VAL H . 10124 1 351 . 1 1 36 36 VAL HA H 1 4.057 0.030 . 1 . . . . 36 VAL HA . 10124 1 352 . 1 1 36 36 VAL HB H 1 2.211 0.030 . 1 . . . . 36 VAL HB . 10124 1 353 . 1 1 36 36 VAL HG11 H 1 0.752 0.030 . 1 . . . . 36 VAL HG1 . 10124 1 354 . 1 1 36 36 VAL HG12 H 1 0.752 0.030 . 1 . . . . 36 VAL HG1 . 10124 1 355 . 1 1 36 36 VAL HG13 H 1 0.752 0.030 . 1 . . . . 36 VAL HG1 . 10124 1 356 . 1 1 36 36 VAL HG21 H 1 0.752 0.030 . 1 . . . . 36 VAL HG2 . 10124 1 357 . 1 1 36 36 VAL HG22 H 1 0.752 0.030 . 1 . . . . 36 VAL HG2 . 10124 1 358 . 1 1 36 36 VAL HG23 H 1 0.752 0.030 . 1 . . . . 36 VAL HG2 . 10124 1 359 . 1 1 36 36 VAL C C 13 175.959 0.300 . 1 . . . . 36 VAL C . 10124 1 360 . 1 1 36 36 VAL CA C 13 64.351 0.300 . 1 . . . . 36 VAL CA . 10124 1 361 . 1 1 36 36 VAL CB C 13 31.296 0.300 . 1 . . . . 36 VAL CB . 10124 1 362 . 1 1 36 36 VAL CG1 C 13 21.685 0.300 . 1 . . . . 36 VAL CG1 . 10124 1 363 . 1 1 36 36 VAL CG2 C 13 21.685 0.300 . 1 . . . . 36 VAL CG2 . 10124 1 364 . 1 1 36 36 VAL N N 15 121.425 0.300 . 1 . . . . 36 VAL N . 10124 1 365 . 1 1 37 37 LYS H H 1 9.503 0.030 . 1 . . . . 37 LYS H . 10124 1 366 . 1 1 37 37 LYS HA H 1 4.403 0.030 . 1 . . . . 37 LYS HA . 10124 1 367 . 1 1 37 37 LYS HB2 H 1 1.977 0.030 . 2 . . . . 37 LYS HB2 . 10124 1 368 . 1 1 37 37 LYS HB3 H 1 1.579 0.030 . 2 . . . . 37 LYS HB3 . 10124 1 369 . 1 1 37 37 LYS HG2 H 1 1.338 0.030 . 1 . . . . 37 LYS HG2 . 10124 1 370 . 1 1 37 37 LYS HG3 H 1 1.338 0.030 . 1 . . . . 37 LYS HG3 . 10124 1 371 . 1 1 37 37 LYS HD2 H 1 1.705 0.030 . 2 . . . . 37 LYS HD2 . 10124 1 372 . 1 1 37 37 LYS HD3 H 1 1.604 0.030 . 2 . . . . 37 LYS HD3 . 10124 1 373 . 1 1 37 37 LYS HE2 H 1 2.978 0.030 . 1 . . . . 37 LYS HE2 . 10124 1 374 . 1 1 37 37 LYS HE3 H 1 2.978 0.030 . 1 . . . . 37 LYS HE3 . 10124 1 375 . 1 1 37 37 LYS C C 13 174.738 0.300 . 1 . . . . 37 LYS C . 10124 1 376 . 1 1 37 37 LYS CA C 13 57.003 0.300 . 1 . . . . 37 LYS CA . 10124 1 377 . 1 1 37 37 LYS CB C 13 32.977 0.300 . 1 . . . . 37 LYS CB . 10124 1 378 . 1 1 37 37 LYS CG C 13 24.797 0.300 . 1 . . . . 37 LYS CG . 10124 1 379 . 1 1 37 37 LYS CD C 13 29.055 0.300 . 1 . . . . 37 LYS CD . 10124 1 380 . 1 1 37 37 LYS CE C 13 42.321 0.300 . 1 . . . . 37 LYS CE . 10124 1 381 . 1 1 37 37 LYS N N 15 135.590 0.300 . 1 . . . . 37 LYS N . 10124 1 382 . 1 1 38 38 GLN H H 1 7.320 0.030 . 1 . . . . 38 GLN H . 10124 1 383 . 1 1 38 38 GLN HA H 1 4.713 0.030 . 1 . . . . 38 GLN HA . 10124 1 384 . 1 1 38 38 GLN HB2 H 1 1.874 0.030 . 2 . . . . 38 GLN HB2 . 10124 1 385 . 1 1 38 38 GLN HB3 H 1 1.936 0.030 . 2 . . . . 38 GLN HB3 . 10124 1 386 . 1 1 38 38 GLN HG2 H 1 2.187 0.030 . 2 . . . . 38 GLN HG2 . 10124 1 387 . 1 1 38 38 GLN HG3 H 1 2.298 0.030 . 2 . . . . 38 GLN HG3 . 10124 1 388 . 1 1 38 38 GLN HE21 H 1 6.861 0.030 . 2 . . . . 38 GLN HE21 . 10124 1 389 . 1 1 38 38 GLN HE22 H 1 7.641 0.030 . 2 . . . . 38 GLN HE22 . 10124 1 390 . 1 1 38 38 GLN C C 13 174.520 0.300 . 1 . . . . 38 GLN C . 10124 1 391 . 1 1 38 38 GLN CA C 13 54.410 0.300 . 1 . . . . 38 GLN CA . 10124 1 392 . 1 1 38 38 GLN CB C 13 32.829 0.300 . 1 . . . . 38 GLN CB . 10124 1 393 . 1 1 38 38 GLN CG C 13 34.214 0.300 . 1 . . . . 38 GLN CG . 10124 1 394 . 1 1 38 38 GLN N N 15 115.418 0.300 . 1 . . . . 38 GLN N . 10124 1 395 . 1 1 38 38 GLN NE2 N 15 111.907 0.300 . 1 . . . . 38 GLN NE2 . 10124 1 396 . 1 1 39 39 ILE H H 1 9.410 0.030 . 1 . . . . 39 ILE H . 10124 1 397 . 1 1 39 39 ILE HA H 1 4.345 0.030 . 1 . . . . 39 ILE HA . 10124 1 398 . 1 1 39 39 ILE HB H 1 1.894 0.030 . 1 . . . . 39 ILE HB . 10124 1 399 . 1 1 39 39 ILE HG12 H 1 1.434 0.030 . 2 . . . . 39 ILE HG12 . 10124 1 400 . 1 1 39 39 ILE HG13 H 1 1.014 0.030 . 2 . . . . 39 ILE HG13 . 10124 1 401 . 1 1 39 39 ILE HG21 H 1 0.883 0.030 . 1 . . . . 39 ILE HG2 . 10124 1 402 . 1 1 39 39 ILE HG22 H 1 0.883 0.030 . 1 . . . . 39 ILE HG2 . 10124 1 403 . 1 1 39 39 ILE HG23 H 1 0.883 0.030 . 1 . . . . 39 ILE HG2 . 10124 1 404 . 1 1 39 39 ILE HD11 H 1 0.644 0.030 . 1 . . . . 39 ILE HD1 . 10124 1 405 . 1 1 39 39 ILE HD12 H 1 0.644 0.030 . 1 . . . . 39 ILE HD1 . 10124 1 406 . 1 1 39 39 ILE HD13 H 1 0.644 0.030 . 1 . . . . 39 ILE HD1 . 10124 1 407 . 1 1 39 39 ILE C C 13 175.493 0.300 . 1 . . . . 39 ILE C . 10124 1 408 . 1 1 39 39 ILE CA C 13 61.414 0.300 . 1 . . . . 39 ILE CA . 10124 1 409 . 1 1 39 39 ILE CB C 13 37.418 0.300 . 1 . . . . 39 ILE CB . 10124 1 410 . 1 1 39 39 ILE CG1 C 13 28.072 0.300 . 1 . . . . 39 ILE CG1 . 10124 1 411 . 1 1 39 39 ILE CG2 C 13 17.591 0.300 . 1 . . . . 39 ILE CG2 . 10124 1 412 . 1 1 39 39 ILE CD1 C 13 13.332 0.300 . 1 . . . . 39 ILE CD1 . 10124 1 413 . 1 1 39 39 ILE N N 15 125.055 0.300 . 1 . . . . 39 ILE N . 10124 1 414 . 1 1 40 40 LEU H H 1 8.705 0.030 . 1 . . . . 40 LEU H . 10124 1 415 . 1 1 40 40 LEU HA H 1 4.367 0.030 . 1 . . . . 40 LEU HA . 10124 1 416 . 1 1 40 40 LEU HB2 H 1 1.459 0.030 . 2 . . . . 40 LEU HB2 . 10124 1 417 . 1 1 40 40 LEU HB3 H 1 1.628 0.030 . 2 . . . . 40 LEU HB3 . 10124 1 418 . 1 1 40 40 LEU HG H 1 1.488 0.030 . 1 . . . . 40 LEU HG . 10124 1 419 . 1 1 40 40 LEU HD11 H 1 0.807 0.030 . 1 . . . . 40 LEU HD1 . 10124 1 420 . 1 1 40 40 LEU HD12 H 1 0.807 0.030 . 1 . . . . 40 LEU HD1 . 10124 1 421 . 1 1 40 40 LEU HD13 H 1 0.807 0.030 . 1 . . . . 40 LEU HD1 . 10124 1 422 . 1 1 40 40 LEU HD21 H 1 0.846 0.030 . 1 . . . . 40 LEU HD2 . 10124 1 423 . 1 1 40 40 LEU HD22 H 1 0.846 0.030 . 1 . . . . 40 LEU HD2 . 10124 1 424 . 1 1 40 40 LEU HD23 H 1 0.846 0.030 . 1 . . . . 40 LEU HD2 . 10124 1 425 . 1 1 40 40 LEU C C 13 177.332 0.300 . 1 . . . . 40 LEU C . 10124 1 426 . 1 1 40 40 LEU CA C 13 56.130 0.300 . 1 . . . . 40 LEU CA . 10124 1 427 . 1 1 40 40 LEU CB C 13 42.470 0.300 . 1 . . . . 40 LEU CB . 10124 1 428 . 1 1 40 40 LEU CG C 13 28.072 0.300 . 1 . . . . 40 LEU CG . 10124 1 429 . 1 1 40 40 LEU CD1 C 13 23.159 0.300 . 2 . . . . 40 LEU CD1 . 10124 1 430 . 1 1 40 40 LEU CD2 C 13 25.124 0.300 . 2 . . . . 40 LEU CD2 . 10124 1 431 . 1 1 40 40 LEU N N 15 129.237 0.300 . 1 . . . . 40 LEU N . 10124 1 432 . 1 1 41 41 ASP H H 1 7.836 0.030 . 1 . . . . 41 ASP H . 10124 1 433 . 1 1 41 41 ASP HA H 1 4.888 0.030 . 1 . . . . 41 ASP HA . 10124 1 434 . 1 1 41 41 ASP HB2 H 1 2.609 0.030 . 2 . . . . 41 ASP HB2 . 10124 1 435 . 1 1 41 41 ASP HB3 H 1 2.866 0.030 . 2 . . . . 41 ASP HB3 . 10124 1 436 . 1 1 41 41 ASP C C 13 175.937 0.300 . 1 . . . . 41 ASP C . 10124 1 437 . 1 1 41 41 ASP CA C 13 52.872 0.300 . 1 . . . . 41 ASP CA . 10124 1 438 . 1 1 41 41 ASP CB C 13 41.896 0.300 . 1 . . . . 41 ASP CB . 10124 1 439 . 1 1 41 41 ASP N N 15 118.343 0.300 . 1 . . . . 41 ASP N . 10124 1 440 . 1 1 42 42 ILE H H 1 8.550 0.030 . 1 . . . . 42 ILE H . 10124 1 441 . 1 1 42 42 ILE HA H 1 4.057 0.030 . 1 . . . . 42 ILE HA . 10124 1 442 . 1 1 42 42 ILE HB H 1 1.907 0.030 . 1 . . . . 42 ILE HB . 10124 1 443 . 1 1 42 42 ILE HG12 H 1 1.572 0.030 . 2 . . . . 42 ILE HG12 . 10124 1 444 . 1 1 42 42 ILE HG13 H 1 1.327 0.030 . 2 . . . . 42 ILE HG13 . 10124 1 445 . 1 1 42 42 ILE HG21 H 1 0.983 0.030 . 1 . . . . 42 ILE HG2 . 10124 1 446 . 1 1 42 42 ILE HG22 H 1 0.983 0.030 . 1 . . . . 42 ILE HG2 . 10124 1 447 . 1 1 42 42 ILE HG23 H 1 0.983 0.030 . 1 . . . . 42 ILE HG2 . 10124 1 448 . 1 1 42 42 ILE HD11 H 1 0.999 0.030 . 1 . . . . 42 ILE HD1 . 10124 1 449 . 1 1 42 42 ILE HD12 H 1 0.999 0.030 . 1 . . . . 42 ILE HD1 . 10124 1 450 . 1 1 42 42 ILE HD13 H 1 0.999 0.030 . 1 . . . . 42 ILE HD1 . 10124 1 451 . 1 1 42 42 ILE C C 13 178.808 0.300 . 1 . . . . 42 ILE C . 10124 1 452 . 1 1 42 42 ILE CA C 13 63.134 0.300 . 1 . . . . 42 ILE CA . 10124 1 453 . 1 1 42 42 ILE CB C 13 38.932 0.300 . 1 . . . . 42 ILE CB . 10124 1 454 . 1 1 42 42 ILE CG1 C 13 28.400 0.300 . 1 . . . . 42 ILE CG1 . 10124 1 455 . 1 1 42 42 ILE CG2 C 13 17.604 0.300 . 1 . . . . 42 ILE CG2 . 10124 1 456 . 1 1 42 42 ILE CD1 C 13 13.987 0.300 . 1 . . . . 42 ILE CD1 . 10124 1 457 . 1 1 42 42 ILE N N 15 124.253 0.300 . 1 . . . . 42 ILE N . 10124 1 458 . 1 1 43 43 GLN H H 1 8.319 0.030 . 1 . . . . 43 GLN H . 10124 1 459 . 1 1 43 43 GLN HA H 1 4.060 0.030 . 1 . . . . 43 GLN HA . 10124 1 460 . 1 1 43 43 GLN HB2 H 1 2.142 0.030 . 2 . . . . 43 GLN HB2 . 10124 1 461 . 1 1 43 43 GLN HB3 H 1 2.216 0.030 . 2 . . . . 43 GLN HB3 . 10124 1 462 . 1 1 43 43 GLN HG2 H 1 2.448 0.030 . 2 . . . . 43 GLN HG2 . 10124 1 463 . 1 1 43 43 GLN HG3 H 1 2.508 0.030 . 2 . . . . 43 GLN HG3 . 10124 1 464 . 1 1 43 43 GLN HE21 H 1 7.765 0.030 . 2 . . . . 43 GLN HE21 . 10124 1 465 . 1 1 43 43 GLN HE22 H 1 6.873 0.030 . 2 . . . . 43 GLN HE22 . 10124 1 466 . 1 1 43 43 GLN C C 13 177.784 0.300 . 1 . . . . 43 GLN C . 10124 1 467 . 1 1 43 43 GLN CA C 13 58.490 0.300 . 1 . . . . 43 GLN CA . 10124 1 468 . 1 1 43 43 GLN CB C 13 28.361 0.300 . 1 . . . . 43 GLN CB . 10124 1 469 . 1 1 43 43 GLN CG C 13 34.363 0.300 . 1 . . . . 43 GLN CG . 10124 1 470 . 1 1 43 43 GLN N N 15 119.910 0.300 . 1 . . . . 43 GLN N . 10124 1 471 . 1 1 43 43 GLN NE2 N 15 112.513 0.300 . 1 . . . . 43 GLN NE2 . 10124 1 472 . 1 1 44 44 GLY H H 1 8.064 0.030 . 1 . . . . 44 GLY H . 10124 1 473 . 1 1 44 44 GLY HA2 H 1 3.967 0.030 . 2 . . . . 44 GLY HA2 . 10124 1 474 . 1 1 44 44 GLY HA3 H 1 4.367 0.030 . 2 . . . . 44 GLY HA3 . 10124 1 475 . 1 1 44 44 GLY C C 13 174.090 0.300 . 1 . . . . 44 GLY C . 10124 1 476 . 1 1 44 44 GLY CA C 13 45.432 0.300 . 1 . . . . 44 GLY CA . 10124 1 477 . 1 1 44 44 GLY N N 15 105.093 0.300 . 1 . . . . 44 GLY N . 10124 1 478 . 1 1 45 45 CYS H H 1 7.617 0.030 . 1 . . . . 45 CYS H . 10124 1 479 . 1 1 45 45 CYS HA H 1 5.099 0.030 . 1 . . . . 45 CYS HA . 10124 1 480 . 1 1 45 45 CYS HB2 H 1 2.958 0.030 . 2 . . . . 45 CYS HB2 . 10124 1 481 . 1 1 45 45 CYS HB3 H 1 2.852 0.030 . 2 . . . . 45 CYS HB3 . 10124 1 482 . 1 1 45 45 CYS C C 13 171.183 0.300 . 1 . . . . 45 CYS C . 10124 1 483 . 1 1 45 45 CYS CA C 13 54.822 0.300 . 1 . . . . 45 CYS CA . 10124 1 484 . 1 1 45 45 CYS CB C 13 28.533 0.300 . 1 . . . . 45 CYS CB . 10124 1 485 . 1 1 45 45 CYS N N 15 115.854 0.300 . 1 . . . . 45 CYS N . 10124 1 486 . 1 1 46 46 PRO HA H 1 4.387 0.030 . 1 . . . . 46 PRO HA . 10124 1 487 . 1 1 46 46 PRO HB2 H 1 1.998 0.030 . 2 . . . . 46 PRO HB2 . 10124 1 488 . 1 1 46 46 PRO HB3 H 1 2.264 0.030 . 2 . . . . 46 PRO HB3 . 10124 1 489 . 1 1 46 46 PRO HG2 H 1 2.102 0.030 . 2 . . . . 46 PRO HG2 . 10124 1 490 . 1 1 46 46 PRO HG3 H 1 2.256 0.030 . 2 . . . . 46 PRO HG3 . 10124 1 491 . 1 1 46 46 PRO HD2 H 1 3.605 0.030 . 1 . . . . 46 PRO HD2 . 10124 1 492 . 1 1 46 46 PRO HD3 H 1 3.605 0.030 . 1 . . . . 46 PRO HD3 . 10124 1 493 . 1 1 46 46 PRO CA C 13 64.215 0.300 . 1 . . . . 46 PRO CA . 10124 1 494 . 1 1 46 46 PRO CB C 13 31.020 0.300 . 1 . . . . 46 PRO CB . 10124 1 495 . 1 1 46 46 PRO CG C 13 28.154 0.300 . 1 . . . . 46 PRO CG . 10124 1 496 . 1 1 46 46 PRO CD C 13 50.592 0.300 . 1 . . . . 46 PRO CD . 10124 1 497 . 1 1 47 47 GLY H H 1 8.537 0.030 . 1 . . . . 47 GLY H . 10124 1 498 . 1 1 47 47 GLY HA2 H 1 3.638 0.030 . 2 . . . . 47 GLY HA2 . 10124 1 499 . 1 1 47 47 GLY HA3 H 1 4.168 0.030 . 2 . . . . 47 GLY HA3 . 10124 1 500 . 1 1 47 47 GLY C C 13 173.226 0.300 . 1 . . . . 47 GLY C . 10124 1 501 . 1 1 47 47 GLY CA C 13 45.388 0.300 . 1 . . . . 47 GLY CA . 10124 1 502 . 1 1 47 47 GLY N N 15 110.290 0.300 . 1 . . . . 47 GLY N . 10124 1 503 . 1 1 48 48 LEU H H 1 7.430 0.030 . 1 . . . . 48 LEU H . 10124 1 504 . 1 1 48 48 LEU HA H 1 3.986 0.030 . 1 . . . . 48 LEU HA . 10124 1 505 . 1 1 48 48 LEU HB2 H 1 0.892 0.030 . 2 . . . . 48 LEU HB2 . 10124 1 506 . 1 1 48 48 LEU HB3 H 1 1.642 0.030 . 2 . . . . 48 LEU HB3 . 10124 1 507 . 1 1 48 48 LEU HG H 1 1.267 0.030 . 1 . . . . 48 LEU HG . 10124 1 508 . 1 1 48 48 LEU HD11 H 1 -0.066 0.030 . 1 . . . . 48 LEU HD1 . 10124 1 509 . 1 1 48 48 LEU HD12 H 1 -0.066 0.030 . 1 . . . . 48 LEU HD1 . 10124 1 510 . 1 1 48 48 LEU HD13 H 1 -0.066 0.030 . 1 . . . . 48 LEU HD1 . 10124 1 511 . 1 1 48 48 LEU HD21 H 1 0.517 0.030 . 1 . . . . 48 LEU HD2 . 10124 1 512 . 1 1 48 48 LEU HD22 H 1 0.517 0.030 . 1 . . . . 48 LEU HD2 . 10124 1 513 . 1 1 48 48 LEU HD23 H 1 0.517 0.030 . 1 . . . . 48 LEU HD2 . 10124 1 514 . 1 1 48 48 LEU C C 13 175.239 0.300 . 1 . . . . 48 LEU C . 10124 1 515 . 1 1 48 48 LEU CA C 13 54.376 0.300 . 1 . . . . 48 LEU CA . 10124 1 516 . 1 1 48 48 LEU CB C 13 44.844 0.300 . 1 . . . . 48 LEU CB . 10124 1 517 . 1 1 48 48 LEU CG C 13 26.332 0.300 . 1 . . . . 48 LEU CG . 10124 1 518 . 1 1 48 48 LEU CD1 C 13 25.505 0.300 . 2 . . . . 48 LEU CD1 . 10124 1 519 . 1 1 48 48 LEU CD2 C 13 23.867 0.300 . 2 . . . . 48 LEU CD2 . 10124 1 520 . 1 1 48 48 LEU N N 15 123.203 0.300 . 1 . . . . 48 LEU N . 10124 1 521 . 1 1 49 49 CYS H H 1 8.610 0.030 . 1 . . . . 49 CYS H . 10124 1 522 . 1 1 49 49 CYS HA H 1 4.611 0.030 . 1 . . . . 49 CYS HA . 10124 1 523 . 1 1 49 49 CYS HB2 H 1 2.898 0.030 . 2 . . . . 49 CYS HB2 . 10124 1 524 . 1 1 49 49 CYS HB3 H 1 2.707 0.030 . 2 . . . . 49 CYS HB3 . 10124 1 525 . 1 1 49 49 CYS C C 13 174.093 0.300 . 1 . . . . 49 CYS C . 10124 1 526 . 1 1 49 49 CYS CA C 13 57.914 0.300 . 1 . . . . 49 CYS CA . 10124 1 527 . 1 1 49 49 CYS CB C 13 30.968 0.300 . 1 . . . . 49 CYS CB . 10124 1 528 . 1 1 49 49 CYS N N 15 122.230 0.300 . 1 . . . . 49 CYS N . 10124 1 529 . 1 1 50 50 GLU H H 1 8.944 0.030 . 1 . . . . 50 GLU H . 10124 1 530 . 1 1 50 50 GLU HA H 1 3.502 0.030 . 1 . . . . 50 GLU HA . 10124 1 531 . 1 1 50 50 GLU HB2 H 1 1.917 0.030 . 1 . . . . 50 GLU HB2 . 10124 1 532 . 1 1 50 50 GLU HB3 H 1 1.917 0.030 . 1 . . . . 50 GLU HB3 . 10124 1 533 . 1 1 50 50 GLU HG2 H 1 2.138 0.030 . 2 . . . . 50 GLU HG2 . 10124 1 534 . 1 1 50 50 GLU HG3 H 1 2.348 0.030 . 2 . . . . 50 GLU HG3 . 10124 1 535 . 1 1 50 50 GLU C C 13 177.830 0.300 . 1 . . . . 50 GLU C . 10124 1 536 . 1 1 50 50 GLU CA C 13 58.953 0.300 . 1 . . . . 50 GLU CA . 10124 1 537 . 1 1 50 50 GLU CB C 13 28.773 0.300 . 1 . . . . 50 GLU CB . 10124 1 538 . 1 1 50 50 GLU CG C 13 37.326 0.300 . 1 . . . . 50 GLU CG . 10124 1 539 . 1 1 50 50 GLU N N 15 123.464 0.300 . 1 . . . . 50 GLU N . 10124 1 540 . 1 1 51 51 GLY H H 1 9.365 0.030 . 1 . . . . 51 GLY H . 10124 1 541 . 1 1 51 51 GLY HA2 H 1 3.653 0.030 . 2 . . . . 51 GLY HA2 . 10124 1 542 . 1 1 51 51 GLY HA3 H 1 4.487 0.030 . 2 . . . . 51 GLY HA3 . 10124 1 543 . 1 1 51 51 GLY C C 13 174.098 0.300 . 1 . . . . 51 GLY C . 10124 1 544 . 1 1 51 51 GLY CA C 13 45.034 0.300 . 1 . . . . 51 GLY CA . 10124 1 545 . 1 1 51 51 GLY N N 15 114.392 0.300 . 1 . . . . 51 GLY N . 10124 1 546 . 1 1 52 52 ASP H H 1 7.675 0.030 . 1 . . . . 52 ASP H . 10124 1 547 . 1 1 52 52 ASP HA H 1 4.447 0.030 . 1 . . . . 52 ASP HA . 10124 1 548 . 1 1 52 52 ASP HB2 H 1 2.186 0.030 . 2 . . . . 52 ASP HB2 . 10124 1 549 . 1 1 52 52 ASP HB3 H 1 2.587 0.030 . 2 . . . . 52 ASP HB3 . 10124 1 550 . 1 1 52 52 ASP C C 13 174.922 0.300 . 1 . . . . 52 ASP C . 10124 1 551 . 1 1 52 52 ASP CA C 13 56.193 0.300 . 1 . . . . 52 ASP CA . 10124 1 552 . 1 1 52 52 ASP CB C 13 41.220 0.300 . 1 . . . . 52 ASP CB . 10124 1 553 . 1 1 52 52 ASP N N 15 123.013 0.300 . 1 . . . . 52 ASP N . 10124 1 554 . 1 1 53 53 LEU H H 1 8.355 0.030 . 1 . . . . 53 LEU H . 10124 1 555 . 1 1 53 53 LEU HA H 1 4.751 0.030 . 1 . . . . 53 LEU HA . 10124 1 556 . 1 1 53 53 LEU HB2 H 1 1.427 0.030 . 2 . . . . 53 LEU HB2 . 10124 1 557 . 1 1 53 53 LEU HB3 H 1 2.147 0.030 . 2 . . . . 53 LEU HB3 . 10124 1 558 . 1 1 53 53 LEU HG H 1 1.323 0.030 . 1 . . . . 53 LEU HG . 10124 1 559 . 1 1 53 53 LEU HD11 H 1 0.727 0.030 . 1 . . . . 53 LEU HD1 . 10124 1 560 . 1 1 53 53 LEU HD12 H 1 0.727 0.030 . 1 . . . . 53 LEU HD1 . 10124 1 561 . 1 1 53 53 LEU HD13 H 1 0.727 0.030 . 1 . . . . 53 LEU HD1 . 10124 1 562 . 1 1 53 53 LEU HD21 H 1 0.787 0.030 . 1 . . . . 53 LEU HD2 . 10124 1 563 . 1 1 53 53 LEU HD22 H 1 0.787 0.030 . 1 . . . . 53 LEU HD2 . 10124 1 564 . 1 1 53 53 LEU HD23 H 1 0.787 0.030 . 1 . . . . 53 LEU HD2 . 10124 1 565 . 1 1 53 53 LEU C C 13 176.270 0.300 . 1 . . . . 53 LEU C . 10124 1 566 . 1 1 53 53 LEU CA C 13 54.042 0.300 . 1 . . . . 53 LEU CA . 10124 1 567 . 1 1 53 53 LEU CB C 13 44.432 0.300 . 1 . . . . 53 LEU CB . 10124 1 568 . 1 1 53 53 LEU CG C 13 27.015 0.300 . 1 . . . . 53 LEU CG . 10124 1 569 . 1 1 53 53 LEU CD1 C 13 23.568 0.300 . 2 . . . . 53 LEU CD1 . 10124 1 570 . 1 1 53 53 LEU CD2 C 13 25.698 0.300 . 2 . . . . 53 LEU CD2 . 10124 1 571 . 1 1 53 53 LEU N N 15 123.301 0.300 . 1 . . . . 53 LEU N . 10124 1 572 . 1 1 54 54 ILE H H 1 8.954 0.030 . 1 . . . . 54 ILE H . 10124 1 573 . 1 1 54 54 ILE HA H 1 3.907 0.030 . 1 . . . . 54 ILE HA . 10124 1 574 . 1 1 54 54 ILE HB H 1 1.817 0.030 . 1 . . . . 54 ILE HB . 10124 1 575 . 1 1 54 54 ILE HG12 H 1 1.547 0.030 . 2 . . . . 54 ILE HG12 . 10124 1 576 . 1 1 54 54 ILE HG13 H 1 0.857 0.030 . 2 . . . . 54 ILE HG13 . 10124 1 577 . 1 1 54 54 ILE HG21 H 1 0.657 0.030 . 1 . . . . 54 ILE HG2 . 10124 1 578 . 1 1 54 54 ILE HG22 H 1 0.657 0.030 . 1 . . . . 54 ILE HG2 . 10124 1 579 . 1 1 54 54 ILE HG23 H 1 0.657 0.030 . 1 . . . . 54 ILE HG2 . 10124 1 580 . 1 1 54 54 ILE HD11 H 1 0.657 0.030 . 1 . . . . 54 ILE HD1 . 10124 1 581 . 1 1 54 54 ILE HD12 H 1 0.657 0.030 . 1 . . . . 54 ILE HD1 . 10124 1 582 . 1 1 54 54 ILE HD13 H 1 0.657 0.030 . 1 . . . . 54 ILE HD1 . 10124 1 583 . 1 1 54 54 ILE C C 13 173.921 0.300 . 1 . . . . 54 ILE C . 10124 1 584 . 1 1 54 54 ILE CA C 13 62.508 0.300 . 1 . . . . 54 ILE CA . 10124 1 585 . 1 1 54 54 ILE CB C 13 37.290 0.300 . 1 . . . . 54 ILE CB . 10124 1 586 . 1 1 54 54 ILE CG1 C 13 27.417 0.300 . 1 . . . . 54 ILE CG1 . 10124 1 587 . 1 1 54 54 ILE CG2 C 13 17.918 0.300 . 1 . . . . 54 ILE CG2 . 10124 1 588 . 1 1 54 54 ILE CD1 C 13 12.759 0.300 . 1 . . . . 54 ILE CD1 . 10124 1 589 . 1 1 54 54 ILE N N 15 126.387 0.300 . 1 . . . . 54 ILE N . 10124 1 590 . 1 1 55 55 VAL H H 1 8.776 0.030 . 1 . . . . 55 VAL H . 10124 1 591 . 1 1 55 55 VAL HA H 1 4.046 0.030 . 1 . . . . 55 VAL HA . 10124 1 592 . 1 1 55 55 VAL HB H 1 1.758 0.030 . 1 . . . . 55 VAL HB . 10124 1 593 . 1 1 55 55 VAL HG11 H 1 0.757 0.030 . 1 . . . . 55 VAL HG1 . 10124 1 594 . 1 1 55 55 VAL HG12 H 1 0.757 0.030 . 1 . . . . 55 VAL HG1 . 10124 1 595 . 1 1 55 55 VAL HG13 H 1 0.757 0.030 . 1 . . . . 55 VAL HG1 . 10124 1 596 . 1 1 55 55 VAL HG21 H 1 0.876 0.030 . 1 . . . . 55 VAL HG2 . 10124 1 597 . 1 1 55 55 VAL HG22 H 1 0.876 0.030 . 1 . . . . 55 VAL HG2 . 10124 1 598 . 1 1 55 55 VAL HG23 H 1 0.876 0.030 . 1 . . . . 55 VAL HG2 . 10124 1 599 . 1 1 55 55 VAL C C 13 176.316 0.300 . 1 . . . . 55 VAL C . 10124 1 600 . 1 1 55 55 VAL CA C 13 64.170 0.300 . 1 . . . . 55 VAL CA . 10124 1 601 . 1 1 55 55 VAL CB C 13 33.185 0.300 . 1 . . . . 55 VAL CB . 10124 1 602 . 1 1 55 55 VAL CG1 C 13 21.525 0.300 . 2 . . . . 55 VAL CG1 . 10124 1 603 . 1 1 55 55 VAL CG2 C 13 21.151 0.300 . 2 . . . . 55 VAL CG2 . 10124 1 604 . 1 1 55 55 VAL N N 15 127.545 0.300 . 1 . . . . 55 VAL N . 10124 1 605 . 1 1 56 56 GLU H H 1 7.912 0.030 . 1 . . . . 56 GLU H . 10124 1 606 . 1 1 56 56 GLU HA H 1 5.367 0.030 . 1 . . . . 56 GLU HA . 10124 1 607 . 1 1 56 56 GLU HB2 H 1 1.750 0.030 . 1 . . . . 56 GLU HB2 . 10124 1 608 . 1 1 56 56 GLU HB3 H 1 1.750 0.030 . 1 . . . . 56 GLU HB3 . 10124 1 609 . 1 1 56 56 GLU HG2 H 1 1.938 0.030 . 2 . . . . 56 GLU HG2 . 10124 1 610 . 1 1 56 56 GLU HG3 H 1 2.037 0.030 . 2 . . . . 56 GLU HG3 . 10124 1 611 . 1 1 56 56 GLU C C 13 175.392 0.300 . 1 . . . . 56 GLU C . 10124 1 612 . 1 1 56 56 GLU CA C 13 54.960 0.300 . 1 . . . . 56 GLU CA . 10124 1 613 . 1 1 56 56 GLU CB C 13 35.038 0.300 . 1 . . . . 56 GLU CB . 10124 1 614 . 1 1 56 56 GLU CG C 13 36.179 0.300 . 1 . . . . 56 GLU CG . 10124 1 615 . 1 1 56 56 GLU N N 15 116.281 0.300 . 1 . . . . 56 GLU N . 10124 1 616 . 1 1 57 57 ILE H H 1 8.275 0.030 . 1 . . . . 57 ILE H . 10124 1 617 . 1 1 57 57 ILE HA H 1 4.646 0.030 . 1 . . . . 57 ILE HA . 10124 1 618 . 1 1 57 57 ILE HB H 1 1.495 0.030 . 1 . . . . 57 ILE HB . 10124 1 619 . 1 1 57 57 ILE HG12 H 1 1.449 0.030 . 2 . . . . 57 ILE HG12 . 10124 1 620 . 1 1 57 57 ILE HG13 H 1 0.771 0.030 . 2 . . . . 57 ILE HG13 . 10124 1 621 . 1 1 57 57 ILE HG21 H 1 0.687 0.030 . 1 . . . . 57 ILE HG2 . 10124 1 622 . 1 1 57 57 ILE HG22 H 1 0.687 0.030 . 1 . . . . 57 ILE HG2 . 10124 1 623 . 1 1 57 57 ILE HG23 H 1 0.687 0.030 . 1 . . . . 57 ILE HG2 . 10124 1 624 . 1 1 57 57 ILE HD11 H 1 0.756 0.030 . 1 . . . . 57 ILE HD1 . 10124 1 625 . 1 1 57 57 ILE HD12 H 1 0.756 0.030 . 1 . . . . 57 ILE HD1 . 10124 1 626 . 1 1 57 57 ILE HD13 H 1 0.756 0.030 . 1 . . . . 57 ILE HD1 . 10124 1 627 . 1 1 57 57 ILE C C 13 176.795 0.300 . 1 . . . . 57 ILE C . 10124 1 628 . 1 1 57 57 ILE CA C 13 60.390 0.300 . 1 . . . . 57 ILE CA . 10124 1 629 . 1 1 57 57 ILE CB C 13 40.978 0.300 . 1 . . . . 57 ILE CB . 10124 1 630 . 1 1 57 57 ILE CG1 C 13 26.970 0.300 . 1 . . . . 57 ILE CG1 . 10124 1 631 . 1 1 57 57 ILE CG2 C 13 16.993 0.300 . 1 . . . . 57 ILE CG2 . 10124 1 632 . 1 1 57 57 ILE CD1 C 13 14.920 0.300 . 1 . . . . 57 ILE CD1 . 10124 1 633 . 1 1 57 57 ILE N N 15 118.958 0.300 . 1 . . . . 57 ILE N . 10124 1 634 . 1 1 58 58 ASN H H 1 10.080 0.030 . 1 . . . . 58 ASN H . 10124 1 635 . 1 1 58 58 ASN HA H 1 4.525 0.030 . 1 . . . . 58 ASN HA . 10124 1 636 . 1 1 58 58 ASN HB2 H 1 2.848 0.030 . 2 . . . . 58 ASN HB2 . 10124 1 637 . 1 1 58 58 ASN HB3 H 1 3.088 0.030 . 2 . . . . 58 ASN HB3 . 10124 1 638 . 1 1 58 58 ASN HD21 H 1 7.314 0.030 . 2 . . . . 58 ASN HD21 . 10124 1 639 . 1 1 58 58 ASN HD22 H 1 8.218 0.030 . 2 . . . . 58 ASN HD22 . 10124 1 640 . 1 1 58 58 ASN C C 13 174.405 0.300 . 1 . . . . 58 ASN C . 10124 1 641 . 1 1 58 58 ASN CA C 13 54.814 0.300 . 1 . . . . 58 ASN CA . 10124 1 642 . 1 1 58 58 ASN CB C 13 37.126 0.300 . 1 . . . . 58 ASN CB . 10124 1 643 . 1 1 58 58 ASN N N 15 128.607 0.300 . 1 . . . . 58 ASN N . 10124 1 644 . 1 1 58 58 ASN ND2 N 15 115.834 0.300 . 1 . . . . 58 ASN ND2 . 10124 1 645 . 1 1 59 59 GLN H H 1 9.024 0.030 . 1 . . . . 59 GLN H . 10124 1 646 . 1 1 59 59 GLN HA H 1 4.108 0.030 . 1 . . . . 59 GLN HA . 10124 1 647 . 1 1 59 59 GLN HB2 H 1 2.331 0.030 . 2 . . . . 59 GLN HB2 . 10124 1 648 . 1 1 59 59 GLN HB3 H 1 2.450 0.030 . 2 . . . . 59 GLN HB3 . 10124 1 649 . 1 1 59 59 GLN HG2 H 1 2.387 0.030 . 2 . . . . 59 GLN HG2 . 10124 1 650 . 1 1 59 59 GLN HG3 H 1 2.280 0.030 . 2 . . . . 59 GLN HG3 . 10124 1 651 . 1 1 59 59 GLN HE21 H 1 7.577 0.030 . 2 . . . . 59 GLN HE21 . 10124 1 652 . 1 1 59 59 GLN HE22 H 1 6.841 0.030 . 2 . . . . 59 GLN HE22 . 10124 1 653 . 1 1 59 59 GLN C C 13 174.561 0.300 . 1 . . . . 59 GLN C . 10124 1 654 . 1 1 59 59 GLN CA C 13 57.938 0.300 . 1 . . . . 59 GLN CA . 10124 1 655 . 1 1 59 59 GLN CB C 13 26.465 0.300 . 1 . . . . 59 GLN CB . 10124 1 656 . 1 1 59 59 GLN CG C 13 35.471 0.300 . 1 . . . . 59 GLN CG . 10124 1 657 . 1 1 59 59 GLN N N 15 108.166 0.300 . 1 . . . . 59 GLN N . 10124 1 658 . 1 1 59 59 GLN NE2 N 15 111.831 0.300 . 1 . . . . 59 GLN NE2 . 10124 1 659 . 1 1 60 60 GLN H H 1 7.945 0.030 . 1 . . . . 60 GLN H . 10124 1 660 . 1 1 60 60 GLN HA H 1 4.580 0.030 . 1 . . . . 60 GLN HA . 10124 1 661 . 1 1 60 60 GLN HB2 H 1 1.977 0.030 . 2 . . . . 60 GLN HB2 . 10124 1 662 . 1 1 60 60 GLN HB3 H 1 2.177 0.030 . 2 . . . . 60 GLN HB3 . 10124 1 663 . 1 1 60 60 GLN HG2 H 1 2.379 0.030 . 2 . . . . 60 GLN HG2 . 10124 1 664 . 1 1 60 60 GLN HG3 H 1 2.184 0.030 . 2 . . . . 60 GLN HG3 . 10124 1 665 . 1 1 60 60 GLN HE21 H 1 7.499 0.030 . 2 . . . . 60 GLN HE21 . 10124 1 666 . 1 1 60 60 GLN HE22 H 1 6.834 0.030 . 2 . . . . 60 GLN HE22 . 10124 1 667 . 1 1 60 60 GLN C C 13 174.894 0.300 . 1 . . . . 60 GLN C . 10124 1 668 . 1 1 60 60 GLN CA C 13 54.021 0.300 . 1 . . . . 60 GLN CA . 10124 1 669 . 1 1 60 60 GLN CB C 13 30.174 0.300 . 1 . . . . 60 GLN CB . 10124 1 670 . 1 1 60 60 GLN CG C 13 33.150 0.300 . 1 . . . . 60 GLN CG . 10124 1 671 . 1 1 60 60 GLN N N 15 120.388 0.300 . 1 . . . . 60 GLN N . 10124 1 672 . 1 1 60 60 GLN NE2 N 15 110.401 0.300 . 1 . . . . 60 GLN NE2 . 10124 1 673 . 1 1 61 61 ASN H H 1 9.124 0.030 . 1 . . . . 61 ASN H . 10124 1 674 . 1 1 61 61 ASN HA H 1 4.877 0.030 . 1 . . . . 61 ASN HA . 10124 1 675 . 1 1 61 61 ASN HB2 H 1 2.798 0.030 . 1 . . . . 61 ASN HB2 . 10124 1 676 . 1 1 61 61 ASN HB3 H 1 2.798 0.030 . 1 . . . . 61 ASN HB3 . 10124 1 677 . 1 1 61 61 ASN HD21 H 1 7.565 0.030 . 2 . . . . 61 ASN HD21 . 10124 1 678 . 1 1 61 61 ASN HD22 H 1 8.343 0.030 . 2 . . . . 61 ASN HD22 . 10124 1 679 . 1 1 61 61 ASN C C 13 176.848 0.300 . 1 . . . . 61 ASN C . 10124 1 680 . 1 1 61 61 ASN CA C 13 55.060 0.300 . 1 . . . . 61 ASN CA . 10124 1 681 . 1 1 61 61 ASN CB C 13 39.179 0.300 . 1 . . . . 61 ASN CB . 10124 1 682 . 1 1 61 61 ASN N N 15 126.408 0.300 . 1 . . . . 61 ASN N . 10124 1 683 . 1 1 61 61 ASN ND2 N 15 116.214 0.300 . 1 . . . . 61 ASN ND2 . 10124 1 684 . 1 1 62 62 VAL H H 1 8.581 0.030 . 1 . . . . 62 VAL H . 10124 1 685 . 1 1 62 62 VAL HA H 1 4.726 0.030 . 1 . . . . 62 VAL HA . 10124 1 686 . 1 1 62 62 VAL HB H 1 2.597 0.030 . 1 . . . . 62 VAL HB . 10124 1 687 . 1 1 62 62 VAL HG11 H 1 0.533 0.030 . 1 . . . . 62 VAL HG1 . 10124 1 688 . 1 1 62 62 VAL HG12 H 1 0.533 0.030 . 1 . . . . 62 VAL HG1 . 10124 1 689 . 1 1 62 62 VAL HG13 H 1 0.533 0.030 . 1 . . . . 62 VAL HG1 . 10124 1 690 . 1 1 62 62 VAL HG21 H 1 0.857 0.030 . 1 . . . . 62 VAL HG2 . 10124 1 691 . 1 1 62 62 VAL HG22 H 1 0.857 0.030 . 1 . . . . 62 VAL HG2 . 10124 1 692 . 1 1 62 62 VAL HG23 H 1 0.857 0.030 . 1 . . . . 62 VAL HG2 . 10124 1 693 . 1 1 62 62 VAL C C 13 177.517 0.300 . 1 . . . . 62 VAL C . 10124 1 694 . 1 1 62 62 VAL CA C 13 59.977 0.300 . 1 . . . . 62 VAL CA . 10124 1 695 . 1 1 62 62 VAL CB C 13 31.411 0.300 . 1 . . . . 62 VAL CB . 10124 1 696 . 1 1 62 62 VAL CG1 C 13 18.995 0.300 . 2 . . . . 62 VAL CG1 . 10124 1 697 . 1 1 62 62 VAL CG2 C 13 20.725 0.300 . 2 . . . . 62 VAL CG2 . 10124 1 698 . 1 1 62 62 VAL N N 15 118.981 0.300 . 1 . . . . 62 VAL N . 10124 1 699 . 1 1 63 63 GLN H H 1 8.490 0.030 . 1 . . . . 63 GLN H . 10124 1 700 . 1 1 63 63 GLN HA H 1 4.271 0.030 . 1 . . . . 63 GLN HA . 10124 1 701 . 1 1 63 63 GLN HB2 H 1 2.184 0.030 . 2 . . . . 63 GLN HB2 . 10124 1 702 . 1 1 63 63 GLN HB3 H 1 2.317 0.030 . 2 . . . . 63 GLN HB3 . 10124 1 703 . 1 1 63 63 GLN HG2 H 1 2.587 0.030 . 2 . . . . 63 GLN HG2 . 10124 1 704 . 1 1 63 63 GLN HG3 H 1 2.667 0.030 . 2 . . . . 63 GLN HG3 . 10124 1 705 . 1 1 63 63 GLN HE21 H 1 7.831 0.030 . 2 . . . . 63 GLN HE21 . 10124 1 706 . 1 1 63 63 GLN HE22 H 1 6.928 0.030 . 2 . . . . 63 GLN HE22 . 10124 1 707 . 1 1 63 63 GLN C C 13 176.614 0.300 . 1 . . . . 63 GLN C . 10124 1 708 . 1 1 63 63 GLN CA C 13 59.939 0.300 . 1 . . . . 63 GLN CA . 10124 1 709 . 1 1 63 63 GLN CB C 13 30.065 0.300 . 1 . . . . 63 GLN CB . 10124 1 710 . 1 1 63 63 GLN CG C 13 36.098 0.300 . 1 . . . . 63 GLN CG . 10124 1 711 . 1 1 63 63 GLN N N 15 123.570 0.300 . 1 . . . . 63 GLN N . 10124 1 712 . 1 1 63 63 GLN NE2 N 15 111.892 0.300 . 1 . . . . 63 GLN NE2 . 10124 1 713 . 1 1 64 64 ASN H H 1 8.722 0.030 . 1 . . . . 64 ASN H . 10124 1 714 . 1 1 64 64 ASN HA H 1 4.973 0.030 . 1 . . . . 64 ASN HA . 10124 1 715 . 1 1 64 64 ASN HB2 H 1 2.644 0.030 . 2 . . . . 64 ASN HB2 . 10124 1 716 . 1 1 64 64 ASN HB3 H 1 2.959 0.030 . 2 . . . . 64 ASN HB3 . 10124 1 717 . 1 1 64 64 ASN HD21 H 1 7.540 0.030 . 2 . . . . 64 ASN HD21 . 10124 1 718 . 1 1 64 64 ASN HD22 H 1 6.856 0.030 . 2 . . . . 64 ASN HD22 . 10124 1 719 . 1 1 64 64 ASN C C 13 175.010 0.300 . 1 . . . . 64 ASN C . 10124 1 720 . 1 1 64 64 ASN CA C 13 52.539 0.300 . 1 . . . . 64 ASN CA . 10124 1 721 . 1 1 64 64 ASN CB C 13 38.995 0.300 . 1 . . . . 64 ASN CB . 10124 1 722 . 1 1 64 64 ASN N N 15 113.214 0.300 . 1 . . . . 64 ASN N . 10124 1 723 . 1 1 64 64 ASN ND2 N 15 112.709 0.300 . 1 . . . . 64 ASN ND2 . 10124 1 724 . 1 1 65 65 LEU H H 1 6.957 0.030 . 1 . . . . 65 LEU H . 10124 1 725 . 1 1 65 65 LEU HA H 1 4.557 0.030 . 1 . . . . 65 LEU HA . 10124 1 726 . 1 1 65 65 LEU HB2 H 1 1.641 0.030 . 1 . . . . 65 LEU HB2 . 10124 1 727 . 1 1 65 65 LEU HB3 H 1 1.641 0.030 . 1 . . . . 65 LEU HB3 . 10124 1 728 . 1 1 65 65 LEU HG H 1 1.666 0.030 . 1 . . . . 65 LEU HG . 10124 1 729 . 1 1 65 65 LEU HD11 H 1 0.852 0.030 . 1 . . . . 65 LEU HD1 . 10124 1 730 . 1 1 65 65 LEU HD12 H 1 0.852 0.030 . 1 . . . . 65 LEU HD1 . 10124 1 731 . 1 1 65 65 LEU HD13 H 1 0.852 0.030 . 1 . . . . 65 LEU HD1 . 10124 1 732 . 1 1 65 65 LEU HD21 H 1 0.877 0.030 . 1 . . . . 65 LEU HD2 . 10124 1 733 . 1 1 65 65 LEU HD22 H 1 0.877 0.030 . 1 . . . . 65 LEU HD2 . 10124 1 734 . 1 1 65 65 LEU HD23 H 1 0.877 0.030 . 1 . . . . 65 LEU HD2 . 10124 1 735 . 1 1 65 65 LEU C C 13 176.448 0.300 . 1 . . . . 65 LEU C . 10124 1 736 . 1 1 65 65 LEU CA C 13 53.946 0.300 . 1 . . . . 65 LEU CA . 10124 1 737 . 1 1 65 65 LEU CB C 13 43.034 0.300 . 1 . . . . 65 LEU CB . 10124 1 738 . 1 1 65 65 LEU CG C 13 27.172 0.300 . 1 . . . . 65 LEU CG . 10124 1 739 . 1 1 65 65 LEU CD1 C 13 22.498 0.300 . 2 . . . . 65 LEU CD1 . 10124 1 740 . 1 1 65 65 LEU CD2 C 13 26.025 0.300 . 2 . . . . 65 LEU CD2 . 10124 1 741 . 1 1 65 65 LEU N N 15 119.889 0.300 . 1 . . . . 65 LEU N . 10124 1 742 . 1 1 66 66 SER H H 1 8.910 0.030 . 1 . . . . 66 SER H . 10124 1 743 . 1 1 66 66 SER HA H 1 4.516 0.030 . 1 . . . . 66 SER HA . 10124 1 744 . 1 1 66 66 SER HB2 H 1 4.090 0.030 . 2 . . . . 66 SER HB2 . 10124 1 745 . 1 1 66 66 SER HB3 H 1 4.352 0.030 . 2 . . . . 66 SER HB3 . 10124 1 746 . 1 1 66 66 SER C C 13 174.397 0.300 . 1 . . . . 66 SER C . 10124 1 747 . 1 1 66 66 SER CA C 13 57.850 0.300 . 1 . . . . 66 SER CA . 10124 1 748 . 1 1 66 66 SER CB C 13 65.620 0.300 . 1 . . . . 66 SER CB . 10124 1 749 . 1 1 66 66 SER N N 15 116.775 0.300 . 1 . . . . 66 SER N . 10124 1 750 . 1 1 67 67 HIS H H 1 9.163 0.030 . 1 . . . . 67 HIS H . 10124 1 751 . 1 1 67 67 HIS HA H 1 3.882 0.030 . 1 . . . . 67 HIS HA . 10124 1 752 . 1 1 67 67 HIS HB2 H 1 3.268 0.030 . 2 . . . . 67 HIS HB2 . 10124 1 753 . 1 1 67 67 HIS HB3 H 1 3.377 0.030 . 2 . . . . 67 HIS HB3 . 10124 1 754 . 1 1 67 67 HIS HD2 H 1 6.993 0.030 . 1 . . . . 67 HIS HD2 . 10124 1 755 . 1 1 67 67 HIS HE1 H 1 7.790 0.030 . 1 . . . . 67 HIS HE1 . 10124 1 756 . 1 1 67 67 HIS C C 13 176.545 0.300 . 1 . . . . 67 HIS C . 10124 1 757 . 1 1 67 67 HIS CA C 13 61.079 0.300 . 1 . . . . 67 HIS CA . 10124 1 758 . 1 1 67 67 HIS CB C 13 28.983 0.300 . 1 . . . . 67 HIS CB . 10124 1 759 . 1 1 67 67 HIS CD2 C 13 126.201 0.300 . 1 . . . . 67 HIS CD2 . 10124 1 760 . 1 1 67 67 HIS CE1 C 13 137.695 0.300 . 1 . . . . 67 HIS CE1 . 10124 1 761 . 1 1 67 67 HIS N N 15 120.292 0.300 . 1 . . . . 67 HIS N . 10124 1 762 . 1 1 68 68 THR H H 1 8.212 0.030 . 1 . . . . 68 THR H . 10124 1 763 . 1 1 68 68 THR HA H 1 3.647 0.030 . 1 . . . . 68 THR HA . 10124 1 764 . 1 1 68 68 THR HB H 1 4.112 0.030 . 1 . . . . 68 THR HB . 10124 1 765 . 1 1 68 68 THR HG21 H 1 1.303 0.030 . 1 . . . . 68 THR HG2 . 10124 1 766 . 1 1 68 68 THR HG22 H 1 1.303 0.030 . 1 . . . . 68 THR HG2 . 10124 1 767 . 1 1 68 68 THR HG23 H 1 1.303 0.030 . 1 . . . . 68 THR HG2 . 10124 1 768 . 1 1 68 68 THR C C 13 176.048 0.300 . 1 . . . . 68 THR C . 10124 1 769 . 1 1 68 68 THR CA C 13 65.979 0.300 . 1 . . . . 68 THR CA . 10124 1 770 . 1 1 68 68 THR CB C 13 68.642 0.300 . 1 . . . . 68 THR CB . 10124 1 771 . 1 1 68 68 THR CG2 C 13 22.094 0.300 . 1 . . . . 68 THR CG2 . 10124 1 772 . 1 1 68 68 THR N N 15 110.014 0.300 . 1 . . . . 68 THR N . 10124 1 773 . 1 1 69 69 GLU H H 1 7.477 0.030 . 1 . . . . 69 GLU H . 10124 1 774 . 1 1 69 69 GLU HA H 1 4.091 0.030 . 1 . . . . 69 GLU HA . 10124 1 775 . 1 1 69 69 GLU HB2 H 1 1.983 0.030 . 2 . . . . 69 GLU HB2 . 10124 1 776 . 1 1 69 69 GLU HB3 H 1 2.429 0.030 . 2 . . . . 69 GLU HB3 . 10124 1 777 . 1 1 69 69 GLU HG2 H 1 2.285 0.030 . 2 . . . . 69 GLU HG2 . 10124 1 778 . 1 1 69 69 GLU HG3 H 1 2.317 0.030 . 2 . . . . 69 GLU HG3 . 10124 1 779 . 1 1 69 69 GLU C C 13 179.509 0.300 . 1 . . . . 69 GLU C . 10124 1 780 . 1 1 69 69 GLU CA C 13 59.399 0.300 . 1 . . . . 69 GLU CA . 10124 1 781 . 1 1 69 69 GLU CB C 13 30.678 0.300 . 1 . . . . 69 GLU CB . 10124 1 782 . 1 1 69 69 GLU CG C 13 38.176 0.300 . 1 . . . . 69 GLU CG . 10124 1 783 . 1 1 69 69 GLU N N 15 120.344 0.300 . 1 . . . . 69 GLU N . 10124 1 784 . 1 1 70 70 VAL H H 1 8.038 0.030 . 1 . . . . 70 VAL H . 10124 1 785 . 1 1 70 70 VAL HA H 1 3.502 0.030 . 1 . . . . 70 VAL HA . 10124 1 786 . 1 1 70 70 VAL HB H 1 1.898 0.030 . 1 . . . . 70 VAL HB . 10124 1 787 . 1 1 70 70 VAL HG11 H 1 0.757 0.030 . 1 . . . . 70 VAL HG1 . 10124 1 788 . 1 1 70 70 VAL HG12 H 1 0.757 0.030 . 1 . . . . 70 VAL HG1 . 10124 1 789 . 1 1 70 70 VAL HG13 H 1 0.757 0.030 . 1 . . . . 70 VAL HG1 . 10124 1 790 . 1 1 70 70 VAL HG21 H 1 1.040 0.030 . 1 . . . . 70 VAL HG2 . 10124 1 791 . 1 1 70 70 VAL HG22 H 1 1.040 0.030 . 1 . . . . 70 VAL HG2 . 10124 1 792 . 1 1 70 70 VAL HG23 H 1 1.040 0.030 . 1 . . . . 70 VAL HG2 . 10124 1 793 . 1 1 70 70 VAL C C 13 177.395 0.300 . 1 . . . . 70 VAL C . 10124 1 794 . 1 1 70 70 VAL CA C 13 67.507 0.300 . 1 . . . . 70 VAL CA . 10124 1 795 . 1 1 70 70 VAL CB C 13 31.081 0.300 . 1 . . . . 70 VAL CB . 10124 1 796 . 1 1 70 70 VAL CG1 C 13 21.823 0.300 . 2 . . . . 70 VAL CG1 . 10124 1 797 . 1 1 70 70 VAL CG2 C 13 24.566 0.300 . 2 . . . . 70 VAL CG2 . 10124 1 798 . 1 1 70 70 VAL N N 15 120.262 0.300 . 1 . . . . 70 VAL N . 10124 1 799 . 1 1 71 71 VAL H H 1 8.273 0.030 . 1 . . . . 71 VAL H . 10124 1 800 . 1 1 71 71 VAL HA H 1 3.377 0.030 . 1 . . . . 71 VAL HA . 10124 1 801 . 1 1 71 71 VAL HB H 1 1.998 0.030 . 1 . . . . 71 VAL HB . 10124 1 802 . 1 1 71 71 VAL HG11 H 1 0.556 0.030 . 1 . . . . 71 VAL HG1 . 10124 1 803 . 1 1 71 71 VAL HG12 H 1 0.556 0.030 . 1 . . . . 71 VAL HG1 . 10124 1 804 . 1 1 71 71 VAL HG13 H 1 0.556 0.030 . 1 . . . . 71 VAL HG1 . 10124 1 805 . 1 1 71 71 VAL HG21 H 1 0.896 0.030 . 1 . . . . 71 VAL HG2 . 10124 1 806 . 1 1 71 71 VAL HG22 H 1 0.896 0.030 . 1 . . . . 71 VAL HG2 . 10124 1 807 . 1 1 71 71 VAL HG23 H 1 0.896 0.030 . 1 . . . . 71 VAL HG2 . 10124 1 808 . 1 1 71 71 VAL C C 13 179.387 0.300 . 1 . . . . 71 VAL C . 10124 1 809 . 1 1 71 71 VAL CA C 13 67.412 0.300 . 1 . . . . 71 VAL CA . 10124 1 810 . 1 1 71 71 VAL CB C 13 31.411 0.300 . 1 . . . . 71 VAL CB . 10124 1 811 . 1 1 71 71 VAL CG1 C 13 22.995 0.300 . 2 . . . . 71 VAL CG1 . 10124 1 812 . 1 1 71 71 VAL CG2 C 13 21.521 0.300 . 2 . . . . 71 VAL CG2 . 10124 1 813 . 1 1 71 71 VAL N N 15 120.573 0.300 . 1 . . . . 71 VAL N . 10124 1 814 . 1 1 72 72 ASP H H 1 8.052 0.030 . 1 . . . . 72 ASP H . 10124 1 815 . 1 1 72 72 ASP HA H 1 4.477 0.030 . 1 . . . . 72 ASP HA . 10124 1 816 . 1 1 72 72 ASP HB2 H 1 2.622 0.030 . 2 . . . . 72 ASP HB2 . 10124 1 817 . 1 1 72 72 ASP HB3 H 1 2.781 0.030 . 2 . . . . 72 ASP HB3 . 10124 1 818 . 1 1 72 72 ASP C C 13 178.407 0.300 . 1 . . . . 72 ASP C . 10124 1 819 . 1 1 72 72 ASP CA C 13 57.851 0.300 . 1 . . . . 72 ASP CA . 10124 1 820 . 1 1 72 72 ASP CB C 13 39.905 0.300 . 1 . . . . 72 ASP CB . 10124 1 821 . 1 1 72 72 ASP N N 15 120.944 0.300 . 1 . . . . 72 ASP N . 10124 1 822 . 1 1 73 73 ILE H H 1 7.786 0.030 . 1 . . . . 73 ILE H . 10124 1 823 . 1 1 73 73 ILE HA H 1 3.774 0.030 . 1 . . . . 73 ILE HA . 10124 1 824 . 1 1 73 73 ILE HB H 1 1.939 0.030 . 1 . . . . 73 ILE HB . 10124 1 825 . 1 1 73 73 ILE HG12 H 1 1.040 0.030 . 2 . . . . 73 ILE HG12 . 10124 1 826 . 1 1 73 73 ILE HG13 H 1 1.932 0.030 . 2 . . . . 73 ILE HG13 . 10124 1 827 . 1 1 73 73 ILE HG21 H 1 0.866 0.030 . 1 . . . . 73 ILE HG2 . 10124 1 828 . 1 1 73 73 ILE HG22 H 1 0.866 0.030 . 1 . . . . 73 ILE HG2 . 10124 1 829 . 1 1 73 73 ILE HG23 H 1 0.866 0.030 . 1 . . . . 73 ILE HG2 . 10124 1 830 . 1 1 73 73 ILE HD11 H 1 0.766 0.030 . 1 . . . . 73 ILE HD1 . 10124 1 831 . 1 1 73 73 ILE HD12 H 1 0.766 0.030 . 1 . . . . 73 ILE HD1 . 10124 1 832 . 1 1 73 73 ILE HD13 H 1 0.766 0.030 . 1 . . . . 73 ILE HD1 . 10124 1 833 . 1 1 73 73 ILE C C 13 179.922 0.300 . 1 . . . . 73 ILE C . 10124 1 834 . 1 1 73 73 ILE CA C 13 65.829 0.300 . 1 . . . . 73 ILE CA . 10124 1 835 . 1 1 73 73 ILE CB C 13 38.276 0.300 . 1 . . . . 73 ILE CB . 10124 1 836 . 1 1 73 73 ILE CG1 C 13 29.580 0.300 . 1 . . . . 73 ILE CG1 . 10124 1 837 . 1 1 73 73 ILE CG2 C 13 17.530 0.300 . 1 . . . . 73 ILE CG2 . 10124 1 838 . 1 1 73 73 ILE CD1 C 13 14.690 0.300 . 1 . . . . 73 ILE CD1 . 10124 1 839 . 1 1 73 73 ILE N N 15 122.082 0.300 . 1 . . . . 73 ILE N . 10124 1 840 . 1 1 74 74 LEU H H 1 7.956 0.030 . 1 . . . . 74 LEU H . 10124 1 841 . 1 1 74 74 LEU HA H 1 4.503 0.030 . 1 . . . . 74 LEU HA . 10124 1 842 . 1 1 74 74 LEU HB2 H 1 1.628 0.030 . 2 . . . . 74 LEU HB2 . 10124 1 843 . 1 1 74 74 LEU HB3 H 1 2.078 0.030 . 2 . . . . 74 LEU HB3 . 10124 1 844 . 1 1 74 74 LEU HG H 1 1.768 0.030 . 1 . . . . 74 LEU HG . 10124 1 845 . 1 1 74 74 LEU HD11 H 1 0.616 0.030 . 1 . . . . 74 LEU HD1 . 10124 1 846 . 1 1 74 74 LEU HD12 H 1 0.616 0.030 . 1 . . . . 74 LEU HD1 . 10124 1 847 . 1 1 74 74 LEU HD13 H 1 0.616 0.030 . 1 . . . . 74 LEU HD1 . 10124 1 848 . 1 1 74 74 LEU HD21 H 1 0.716 0.030 . 1 . . . . 74 LEU HD2 . 10124 1 849 . 1 1 74 74 LEU HD22 H 1 0.716 0.030 . 1 . . . . 74 LEU HD2 . 10124 1 850 . 1 1 74 74 LEU HD23 H 1 0.716 0.030 . 1 . . . . 74 LEU HD2 . 10124 1 851 . 1 1 74 74 LEU C C 13 180.602 0.300 . 1 . . . . 74 LEU C . 10124 1 852 . 1 1 74 74 LEU CA C 13 58.242 0.300 . 1 . . . . 74 LEU CA . 10124 1 853 . 1 1 74 74 LEU CB C 13 40.973 0.300 . 1 . . . . 74 LEU CB . 10124 1 854 . 1 1 74 74 LEU CG C 13 27.233 0.300 . 1 . . . . 74 LEU CG . 10124 1 855 . 1 1 74 74 LEU CD1 C 13 22.668 0.300 . 2 . . . . 74 LEU CD1 . 10124 1 856 . 1 1 74 74 LEU CD2 C 13 26.126 0.300 . 2 . . . . 74 LEU CD2 . 10124 1 857 . 1 1 74 74 LEU N N 15 119.544 0.300 . 1 . . . . 74 LEU N . 10124 1 858 . 1 1 75 75 LYS H H 1 8.656 0.030 . 1 . . . . 75 LYS H . 10124 1 859 . 1 1 75 75 LYS HA H 1 3.960 0.030 . 1 . . . . 75 LYS HA . 10124 1 860 . 1 1 75 75 LYS HB2 H 1 1.999 0.030 . 2 . . . . 75 LYS HB2 . 10124 1 861 . 1 1 75 75 LYS HB3 H 1 2.079 0.030 . 2 . . . . 75 LYS HB3 . 10124 1 862 . 1 1 75 75 LYS HG2 H 1 1.467 0.030 . 2 . . . . 75 LYS HG2 . 10124 1 863 . 1 1 75 75 LYS HG3 H 1 1.617 0.030 . 2 . . . . 75 LYS HG3 . 10124 1 864 . 1 1 75 75 LYS HD2 H 1 1.687 0.030 . 2 . . . . 75 LYS HD2 . 10124 1 865 . 1 1 75 75 LYS HD3 H 1 1.767 0.030 . 2 . . . . 75 LYS HD3 . 10124 1 866 . 1 1 75 75 LYS HE2 H 1 2.977 0.030 . 1 . . . . 75 LYS HE2 . 10124 1 867 . 1 1 75 75 LYS HE3 H 1 2.977 0.030 . 1 . . . . 75 LYS HE3 . 10124 1 868 . 1 1 75 75 LYS C C 13 177.356 0.300 . 1 . . . . 75 LYS C . 10124 1 869 . 1 1 75 75 LYS CA C 13 59.830 0.300 . 1 . . . . 75 LYS CA . 10124 1 870 . 1 1 75 75 LYS CB C 13 32.201 0.300 . 1 . . . . 75 LYS CB . 10124 1 871 . 1 1 75 75 LYS CG C 13 24.821 0.300 . 1 . . . . 75 LYS CG . 10124 1 872 . 1 1 75 75 LYS CD C 13 29.350 0.300 . 1 . . . . 75 LYS CD . 10124 1 873 . 1 1 75 75 LYS CE C 13 41.937 0.300 . 1 . . . . 75 LYS CE . 10124 1 874 . 1 1 75 75 LYS N N 15 123.024 0.300 . 1 . . . . 75 LYS N . 10124 1 875 . 1 1 76 76 ASP H H 1 7.759 0.030 . 1 . . . . 76 ASP H . 10124 1 876 . 1 1 76 76 ASP HA H 1 4.553 0.030 . 1 . . . . 76 ASP HA . 10124 1 877 . 1 1 76 76 ASP HB2 H 1 2.756 0.030 . 1 . . . . 76 ASP HB2 . 10124 1 878 . 1 1 76 76 ASP HB3 H 1 2.756 0.030 . 1 . . . . 76 ASP HB3 . 10124 1 879 . 1 1 76 76 ASP C C 13 177.530 0.300 . 1 . . . . 76 ASP C . 10124 1 880 . 1 1 76 76 ASP CA C 13 55.186 0.300 . 1 . . . . 76 ASP CA . 10124 1 881 . 1 1 76 76 ASP CB C 13 41.220 0.300 . 1 . . . . 76 ASP CB . 10124 1 882 . 1 1 76 76 ASP N N 15 117.081 0.300 . 1 . . . . 76 ASP N . 10124 1 883 . 1 1 77 77 CYS H H 1 7.332 0.030 . 1 . . . . 77 CYS H . 10124 1 884 . 1 1 77 77 CYS HA H 1 4.669 0.030 . 1 . . . . 77 CYS HA . 10124 1 885 . 1 1 77 77 CYS HB2 H 1 3.155 0.030 . 2 . . . . 77 CYS HB2 . 10124 1 886 . 1 1 77 77 CYS HB3 H 1 2.893 0.030 . 2 . . . . 77 CYS HB3 . 10124 1 887 . 1 1 77 77 CYS C C 13 173.631 0.300 . 1 . . . . 77 CYS C . 10124 1 888 . 1 1 77 77 CYS CA C 13 59.497 0.300 . 1 . . . . 77 CYS CA . 10124 1 889 . 1 1 77 77 CYS CB C 13 27.124 0.300 . 1 . . . . 77 CYS CB . 10124 1 890 . 1 1 77 77 CYS N N 15 120.442 0.300 . 1 . . . . 77 CYS N . 10124 1 891 . 1 1 78 78 PRO HA H 1 4.441 0.030 . 1 . . . . 78 PRO HA . 10124 1 892 . 1 1 78 78 PRO HB2 H 1 1.828 0.030 . 2 . . . . 78 PRO HB2 . 10124 1 893 . 1 1 78 78 PRO HB3 H 1 2.349 0.030 . 2 . . . . 78 PRO HB3 . 10124 1 894 . 1 1 78 78 PRO HG2 H 1 2.049 0.030 . 2 . . . . 78 PRO HG2 . 10124 1 895 . 1 1 78 78 PRO HG3 H 1 2.081 0.030 . 2 . . . . 78 PRO HG3 . 10124 1 896 . 1 1 78 78 PRO HD2 H 1 3.667 0.030 . 2 . . . . 78 PRO HD2 . 10124 1 897 . 1 1 78 78 PRO HD3 H 1 4.146 0.030 . 2 . . . . 78 PRO HD3 . 10124 1 898 . 1 1 78 78 PRO CA C 13 62.839 0.300 . 1 . . . . 78 PRO CA . 10124 1 899 . 1 1 78 78 PRO CB C 13 32.247 0.300 . 1 . . . . 78 PRO CB . 10124 1 900 . 1 1 78 78 PRO CG C 13 27.661 0.300 . 1 . . . . 78 PRO CG . 10124 1 901 . 1 1 78 78 PRO CD C 13 51.300 0.300 . 1 . . . . 78 PRO CD . 10124 1 902 . 1 1 79 79 ILE H H 1 8.690 0.030 . 1 . . . . 79 ILE H . 10124 1 903 . 1 1 79 79 ILE HA H 1 3.330 0.030 . 1 . . . . 79 ILE HA . 10124 1 904 . 1 1 79 79 ILE HB H 1 1.628 0.030 . 1 . . . . 79 ILE HB . 10124 1 905 . 1 1 79 79 ILE HG12 H 1 1.573 0.030 . 2 . . . . 79 ILE HG12 . 10124 1 906 . 1 1 79 79 ILE HG13 H 1 0.982 0.030 . 2 . . . . 79 ILE HG13 . 10124 1 907 . 1 1 79 79 ILE HG21 H 1 0.752 0.030 . 1 . . . . 79 ILE HG2 . 10124 1 908 . 1 1 79 79 ILE HG22 H 1 0.752 0.030 . 1 . . . . 79 ILE HG2 . 10124 1 909 . 1 1 79 79 ILE HG23 H 1 0.752 0.030 . 1 . . . . 79 ILE HG2 . 10124 1 910 . 1 1 79 79 ILE HD11 H 1 0.866 0.030 . 1 . . . . 79 ILE HD1 . 10124 1 911 . 1 1 79 79 ILE HD12 H 1 0.866 0.030 . 1 . . . . 79 ILE HD1 . 10124 1 912 . 1 1 79 79 ILE HD13 H 1 0.866 0.030 . 1 . . . . 79 ILE HD1 . 10124 1 913 . 1 1 79 79 ILE C C 13 177.913 0.300 . 1 . . . . 79 ILE C . 10124 1 914 . 1 1 79 79 ILE CA C 13 63.678 0.300 . 1 . . . . 79 ILE CA . 10124 1 915 . 1 1 79 79 ILE CB C 13 38.029 0.300 . 1 . . . . 79 ILE CB . 10124 1 916 . 1 1 79 79 ILE CG1 C 13 28.429 0.300 . 1 . . . . 79 ILE CG1 . 10124 1 917 . 1 1 79 79 ILE CG2 C 13 16.993 0.300 . 1 . . . . 79 ILE CG2 . 10124 1 918 . 1 1 79 79 ILE CD1 C 13 13.309 0.300 . 1 . . . . 79 ILE CD1 . 10124 1 919 . 1 1 79 79 ILE N N 15 124.277 0.300 . 1 . . . . 79 ILE N . 10124 1 920 . 1 1 80 80 GLY H H 1 8.877 0.030 . 1 . . . . 80 GLY H . 10124 1 921 . 1 1 80 80 GLY HA2 H 1 3.626 0.030 . 2 . . . . 80 GLY HA2 . 10124 1 922 . 1 1 80 80 GLY HA3 H 1 4.256 0.030 . 2 . . . . 80 GLY HA3 . 10124 1 923 . 1 1 80 80 GLY C C 13 173.703 0.300 . 1 . . . . 80 GLY C . 10124 1 924 . 1 1 80 80 GLY CA C 13 45.568 0.300 . 1 . . . . 80 GLY CA . 10124 1 925 . 1 1 80 80 GLY N N 15 115.280 0.300 . 1 . . . . 80 GLY N . 10124 1 926 . 1 1 81 81 SER H H 1 7.493 0.030 . 1 . . . . 81 SER H . 10124 1 927 . 1 1 81 81 SER HA H 1 4.640 0.030 . 1 . . . . 81 SER HA . 10124 1 928 . 1 1 81 81 SER HB2 H 1 3.877 0.030 . 1 . . . . 81 SER HB2 . 10124 1 929 . 1 1 81 81 SER HB3 H 1 3.877 0.030 . 1 . . . . 81 SER HB3 . 10124 1 930 . 1 1 81 81 SER C C 13 173.961 0.300 . 1 . . . . 81 SER C . 10124 1 931 . 1 1 81 81 SER CA C 13 57.561 0.300 . 1 . . . . 81 SER CA . 10124 1 932 . 1 1 81 81 SER CB C 13 65.032 0.300 . 1 . . . . 81 SER CB . 10124 1 933 . 1 1 81 81 SER N N 15 113.890 0.300 . 1 . . . . 81 SER N . 10124 1 934 . 1 1 82 82 GLU H H 1 8.947 0.030 . 1 . . . . 82 GLU H . 10124 1 935 . 1 1 82 82 GLU HA H 1 4.417 0.030 . 1 . . . . 82 GLU HA . 10124 1 936 . 1 1 82 82 GLU HB2 H 1 1.855 0.030 . 2 . . . . 82 GLU HB2 . 10124 1 937 . 1 1 82 82 GLU HB3 H 1 2.047 0.030 . 2 . . . . 82 GLU HB3 . 10124 1 938 . 1 1 82 82 GLU HG2 H 1 2.339 0.030 . 2 . . . . 82 GLU HG2 . 10124 1 939 . 1 1 82 82 GLU HG3 H 1 2.076 0.030 . 2 . . . . 82 GLU HG3 . 10124 1 940 . 1 1 82 82 GLU C C 13 176.198 0.300 . 1 . . . . 82 GLU C . 10124 1 941 . 1 1 82 82 GLU CA C 13 57.329 0.300 . 1 . . . . 82 GLU CA . 10124 1 942 . 1 1 82 82 GLU CB C 13 30.257 0.300 . 1 . . . . 82 GLU CB . 10124 1 943 . 1 1 82 82 GLU CG C 13 37.101 0.300 . 1 . . . . 82 GLU CG . 10124 1 944 . 1 1 82 82 GLU N N 15 123.761 0.300 . 1 . . . . 82 GLU N . 10124 1 945 . 1 1 83 83 THR H H 1 9.289 0.030 . 1 . . . . 83 THR H . 10124 1 946 . 1 1 83 83 THR HA H 1 4.895 0.030 . 1 . . . . 83 THR HA . 10124 1 947 . 1 1 83 83 THR HB H 1 4.293 0.030 . 1 . . . . 83 THR HB . 10124 1 948 . 1 1 83 83 THR HG21 H 1 1.202 0.030 . 1 . . . . 83 THR HG2 . 10124 1 949 . 1 1 83 83 THR HG22 H 1 1.202 0.030 . 1 . . . . 83 THR HG2 . 10124 1 950 . 1 1 83 83 THR HG23 H 1 1.202 0.030 . 1 . . . . 83 THR HG2 . 10124 1 951 . 1 1 83 83 THR C C 13 173.171 0.300 . 1 . . . . 83 THR C . 10124 1 952 . 1 1 83 83 THR CA C 13 62.952 0.300 . 1 . . . . 83 THR CA . 10124 1 953 . 1 1 83 83 THR CB C 13 71.694 0.300 . 1 . . . . 83 THR CB . 10124 1 954 . 1 1 83 83 THR CG2 C 13 21.276 0.300 . 1 . . . . 83 THR CG2 . 10124 1 955 . 1 1 83 83 THR N N 15 125.038 0.300 . 1 . . . . 83 THR N . 10124 1 956 . 1 1 84 84 SER H H 1 8.589 0.030 . 1 . . . . 84 SER H . 10124 1 957 . 1 1 84 84 SER HA H 1 5.096 0.030 . 1 . . . . 84 SER HA . 10124 1 958 . 1 1 84 84 SER HB2 H 1 3.860 0.030 . 1 . . . . 84 SER HB2 . 10124 1 959 . 1 1 84 84 SER HB3 H 1 3.860 0.030 . 1 . . . . 84 SER HB3 . 10124 1 960 . 1 1 84 84 SER C C 13 173.457 0.300 . 1 . . . . 84 SER C . 10124 1 961 . 1 1 84 84 SER CA C 13 57.301 0.300 . 1 . . . . 84 SER CA . 10124 1 962 . 1 1 84 84 SER CB C 13 64.304 0.300 . 1 . . . . 84 SER CB . 10124 1 963 . 1 1 84 84 SER N N 15 121.894 0.300 . 1 . . . . 84 SER N . 10124 1 964 . 1 1 85 85 LEU H H 1 9.132 0.030 . 1 . . . . 85 LEU H . 10124 1 965 . 1 1 85 85 LEU HA H 1 5.231 0.030 . 1 . . . . 85 LEU HA . 10124 1 966 . 1 1 85 85 LEU HB2 H 1 1.397 0.030 . 1 . . . . 85 LEU HB2 . 10124 1 967 . 1 1 85 85 LEU HB3 H 1 1.397 0.030 . 1 . . . . 85 LEU HB3 . 10124 1 968 . 1 1 85 85 LEU HG H 1 1.466 0.030 . 1 . . . . 85 LEU HG . 10124 1 969 . 1 1 85 85 LEU HD11 H 1 0.648 0.030 . 1 . . . . 85 LEU HD1 . 10124 1 970 . 1 1 85 85 LEU HD12 H 1 0.648 0.030 . 1 . . . . 85 LEU HD1 . 10124 1 971 . 1 1 85 85 LEU HD13 H 1 0.648 0.030 . 1 . . . . 85 LEU HD1 . 10124 1 972 . 1 1 85 85 LEU HD21 H 1 0.648 0.030 . 1 . . . . 85 LEU HD2 . 10124 1 973 . 1 1 85 85 LEU HD22 H 1 0.648 0.030 . 1 . . . . 85 LEU HD2 . 10124 1 974 . 1 1 85 85 LEU HD23 H 1 0.648 0.030 . 1 . . . . 85 LEU HD2 . 10124 1 975 . 1 1 85 85 LEU C C 13 175.784 0.300 . 1 . . . . 85 LEU C . 10124 1 976 . 1 1 85 85 LEU CA C 13 53.497 0.300 . 1 . . . . 85 LEU CA . 10124 1 977 . 1 1 85 85 LEU CB C 13 46.240 0.300 . 1 . . . . 85 LEU CB . 10124 1 978 . 1 1 85 85 LEU CG C 13 27.230 0.300 . 1 . . . . 85 LEU CG . 10124 1 979 . 1 1 85 85 LEU CD1 C 13 25.794 0.300 . 1 . . . . 85 LEU CD1 . 10124 1 980 . 1 1 85 85 LEU CD2 C 13 25.794 0.300 . 1 . . . . 85 LEU CD2 . 10124 1 981 . 1 1 85 85 LEU N N 15 127.580 0.300 . 1 . . . . 85 LEU N . 10124 1 982 . 1 1 86 86 ILE H H 1 8.487 0.030 . 1 . . . . 86 ILE H . 10124 1 983 . 1 1 86 86 ILE HA H 1 5.108 0.030 . 1 . . . . 86 ILE HA . 10124 1 984 . 1 1 86 86 ILE HB H 1 1.585 0.030 . 1 . . . . 86 ILE HB . 10124 1 985 . 1 1 86 86 ILE HG12 H 1 1.481 0.030 . 2 . . . . 86 ILE HG12 . 10124 1 986 . 1 1 86 86 ILE HG13 H 1 1.247 0.030 . 2 . . . . 86 ILE HG13 . 10124 1 987 . 1 1 86 86 ILE HG21 H 1 0.826 0.030 . 1 . . . . 86 ILE HG2 . 10124 1 988 . 1 1 86 86 ILE HG22 H 1 0.826 0.030 . 1 . . . . 86 ILE HG2 . 10124 1 989 . 1 1 86 86 ILE HG23 H 1 0.826 0.030 . 1 . . . . 86 ILE HG2 . 10124 1 990 . 1 1 86 86 ILE HD11 H 1 0.727 0.030 . 1 . . . . 86 ILE HD1 . 10124 1 991 . 1 1 86 86 ILE HD12 H 1 0.727 0.030 . 1 . . . . 86 ILE HD1 . 10124 1 992 . 1 1 86 86 ILE HD13 H 1 0.727 0.030 . 1 . . . . 86 ILE HD1 . 10124 1 993 . 1 1 86 86 ILE C C 13 176.389 0.300 . 1 . . . . 86 ILE C . 10124 1 994 . 1 1 86 86 ILE CA C 13 60.840 0.300 . 1 . . . . 86 ILE CA . 10124 1 995 . 1 1 86 86 ILE CB C 13 38.238 0.300 . 1 . . . . 86 ILE CB . 10124 1 996 . 1 1 86 86 ILE CG1 C 13 27.253 0.300 . 1 . . . . 86 ILE CG1 . 10124 1 997 . 1 1 86 86 ILE CG2 C 13 17.991 0.300 . 1 . . . . 86 ILE CG2 . 10124 1 998 . 1 1 86 86 ILE CD1 C 13 12.595 0.300 . 1 . . . . 86 ILE CD1 . 10124 1 999 . 1 1 86 86 ILE N N 15 122.726 0.300 . 1 . . . . 86 ILE N . 10124 1 1000 . 1 1 87 87 ILE H H 1 9.047 0.030 . 1 . . . . 87 ILE H . 10124 1 1001 . 1 1 87 87 ILE HA H 1 5.589 0.030 . 1 . . . . 87 ILE HA . 10124 1 1002 . 1 1 87 87 ILE HB H 1 1.748 0.030 . 1 . . . . 87 ILE HB . 10124 1 1003 . 1 1 87 87 ILE HG12 H 1 1.020 0.030 . 2 . . . . 87 ILE HG12 . 10124 1 1004 . 1 1 87 87 ILE HG13 H 1 1.290 0.030 . 2 . . . . 87 ILE HG13 . 10124 1 1005 . 1 1 87 87 ILE HG21 H 1 0.644 0.030 . 1 . . . . 87 ILE HG2 . 10124 1 1006 . 1 1 87 87 ILE HG22 H 1 0.644 0.030 . 1 . . . . 87 ILE HG2 . 10124 1 1007 . 1 1 87 87 ILE HG23 H 1 0.644 0.030 . 1 . . . . 87 ILE HG2 . 10124 1 1008 . 1 1 87 87 ILE HD11 H 1 0.729 0.030 . 1 . . . . 87 ILE HD1 . 10124 1 1009 . 1 1 87 87 ILE HD12 H 1 0.729 0.030 . 1 . . . . 87 ILE HD1 . 10124 1 1010 . 1 1 87 87 ILE HD13 H 1 0.729 0.030 . 1 . . . . 87 ILE HD1 . 10124 1 1011 . 1 1 87 87 ILE C C 13 174.505 0.300 . 1 . . . . 87 ILE C . 10124 1 1012 . 1 1 87 87 ILE CA C 13 56.676 0.300 . 1 . . . . 87 ILE CA . 10124 1 1013 . 1 1 87 87 ILE CB C 13 43.281 0.300 . 1 . . . . 87 ILE CB . 10124 1 1014 . 1 1 87 87 ILE CG1 C 13 27.008 0.300 . 1 . . . . 87 ILE CG1 . 10124 1 1015 . 1 1 87 87 ILE CG2 C 13 20.702 0.300 . 1 . . . . 87 ILE CG2 . 10124 1 1016 . 1 1 87 87 ILE CD1 C 13 16.286 0.300 . 1 . . . . 87 ILE CD1 . 10124 1 1017 . 1 1 87 87 ILE N N 15 120.788 0.300 . 1 . . . . 87 ILE N . 10124 1 1018 . 1 1 88 88 HIS H H 1 9.210 0.030 . 1 . . . . 88 HIS H . 10124 1 1019 . 1 1 88 88 HIS HA H 1 5.256 0.030 . 1 . . . . 88 HIS HA . 10124 1 1020 . 1 1 88 88 HIS HB2 H 1 2.838 0.030 . 2 . . . . 88 HIS HB2 . 10124 1 1021 . 1 1 88 88 HIS HB3 H 1 3.029 0.030 . 2 . . . . 88 HIS HB3 . 10124 1 1022 . 1 1 88 88 HIS HD2 H 1 6.862 0.030 . 1 . . . . 88 HIS HD2 . 10124 1 1023 . 1 1 88 88 HIS HE1 H 1 7.716 0.030 . 1 . . . . 88 HIS HE1 . 10124 1 1024 . 1 1 88 88 HIS C C 13 174.238 0.300 . 1 . . . . 88 HIS C . 10124 1 1025 . 1 1 88 88 HIS CA C 13 54.794 0.300 . 1 . . . . 88 HIS CA . 10124 1 1026 . 1 1 88 88 HIS CB C 13 33.884 0.300 . 1 . . . . 88 HIS CB . 10124 1 1027 . 1 1 88 88 HIS CD2 C 13 119.084 0.300 . 1 . . . . 88 HIS CD2 . 10124 1 1028 . 1 1 88 88 HIS CE1 C 13 138.564 0.300 . 1 . . . . 88 HIS CE1 . 10124 1 1029 . 1 1 88 88 HIS N N 15 120.618 0.300 . 1 . . . . 88 HIS N . 10124 1 1030 . 1 1 89 89 ARG H H 1 8.836 0.030 . 1 . . . . 89 ARG H . 10124 1 1031 . 1 1 89 89 ARG HA H 1 4.531 0.030 . 1 . . . . 89 ARG HA . 10124 1 1032 . 1 1 89 89 ARG HB2 H 1 1.598 0.030 . 2 . . . . 89 ARG HB2 . 10124 1 1033 . 1 1 89 89 ARG HB3 H 1 1.670 0.030 . 2 . . . . 89 ARG HB3 . 10124 1 1034 . 1 1 89 89 ARG HG2 H 1 1.603 0.030 . 2 . . . . 89 ARG HG2 . 10124 1 1035 . 1 1 89 89 ARG HG3 H 1 1.506 0.030 . 2 . . . . 89 ARG HG3 . 10124 1 1036 . 1 1 89 89 ARG HD2 H 1 2.967 0.030 . 2 . . . . 89 ARG HD2 . 10124 1 1037 . 1 1 89 89 ARG HD3 H 1 3.227 0.030 . 2 . . . . 89 ARG HD3 . 10124 1 1038 . 1 1 89 89 ARG HE H 1 8.962 0.030 . 1 . . . . 89 ARG HE . 10124 1 1039 . 1 1 89 89 ARG C C 13 175.119 0.300 . 1 . . . . 89 ARG C . 10124 1 1040 . 1 1 89 89 ARG CA C 13 55.092 0.300 . 1 . . . . 89 ARG CA . 10124 1 1041 . 1 1 89 89 ARG CB C 13 32.153 0.300 . 1 . . . . 89 ARG CB . 10124 1 1042 . 1 1 89 89 ARG CG C 13 25.943 0.300 . 1 . . . . 89 ARG CG . 10124 1 1043 . 1 1 89 89 ARG CD C 13 43.140 0.300 . 1 . . . . 89 ARG CD . 10124 1 1044 . 1 1 89 89 ARG N N 15 130.984 0.300 . 1 . . . . 89 ARG N . 10124 1 1045 . 1 1 89 89 ARG NE N 15 84.949 0.300 . 1 . . . . 89 ARG NE . 10124 1 1046 . 1 1 90 90 GLY H H 1 8.478 0.030 . 1 . . . . 90 GLY H . 10124 1 1047 . 1 1 90 90 GLY HA2 H 1 4.009 0.030 . 1 . . . . 90 GLY HA2 . 10124 1 1048 . 1 1 90 90 GLY HA3 H 1 4.009 0.030 . 1 . . . . 90 GLY HA3 . 10124 1 1049 . 1 1 90 90 GLY C C 13 173.975 0.300 . 1 . . . . 90 GLY C . 10124 1 1050 . 1 1 90 90 GLY CA C 13 45.024 0.300 . 1 . . . . 90 GLY CA . 10124 1 1051 . 1 1 90 90 GLY N N 15 113.254 0.300 . 1 . . . . 90 GLY N . 10124 1 1052 . 1 1 91 91 SER H H 1 8.446 0.030 . 1 . . . . 91 SER H . 10124 1 1053 . 1 1 91 91 SER HA H 1 4.509 0.030 . 1 . . . . 91 SER HA . 10124 1 1054 . 1 1 91 91 SER HB2 H 1 3.896 0.030 . 1 . . . . 91 SER HB2 . 10124 1 1055 . 1 1 91 91 SER HB3 H 1 3.896 0.030 . 1 . . . . 91 SER HB3 . 10124 1 1056 . 1 1 91 91 SER C C 13 174.874 0.300 . 1 . . . . 91 SER C . 10124 1 1057 . 1 1 91 91 SER CA C 13 58.356 0.300 . 1 . . . . 91 SER CA . 10124 1 1058 . 1 1 91 91 SER CB C 13 64.136 0.300 . 1 . . . . 91 SER CB . 10124 1 1059 . 1 1 91 91 SER N N 15 115.649 0.300 . 1 . . . . 91 SER N . 10124 1 1060 . 1 1 92 92 GLY H H 1 8.428 0.030 . 1 . . . . 92 GLY H . 10124 1 1061 . 1 1 92 92 GLY HA2 H 1 4.154 0.030 . 2 . . . . 92 GLY HA2 . 10124 1 1062 . 1 1 92 92 GLY HA3 H 1 4.117 0.030 . 2 . . . . 92 GLY HA3 . 10124 1 1063 . 1 1 92 92 GLY CA C 13 44.622 0.300 . 1 . . . . 92 GLY CA . 10124 1 1064 . 1 1 92 92 GLY N N 15 110.946 0.300 . 1 . . . . 92 GLY N . 10124 1 1065 . 1 1 93 93 PRO HA H 1 4.477 0.030 . 1 . . . . 93 PRO HA . 10124 1 1066 . 1 1 93 93 PRO HB2 H 1 2.297 0.030 . 2 . . . . 93 PRO HB2 . 10124 1 1067 . 1 1 93 93 PRO HB3 H 1 1.997 0.030 . 2 . . . . 93 PRO HB3 . 10124 1 1068 . 1 1 93 93 PRO HG2 H 1 2.017 0.030 . 1 . . . . 93 PRO HG2 . 10124 1 1069 . 1 1 93 93 PRO HG3 H 1 2.017 0.030 . 1 . . . . 93 PRO HG3 . 10124 1 1070 . 1 1 93 93 PRO HD2 H 1 3.637 0.030 . 2 . . . . 93 PRO HD2 . 10124 1 1071 . 1 1 93 93 PRO HD3 H 1 3.607 0.030 . 2 . . . . 93 PRO HD3 . 10124 1 1072 . 1 1 93 93 PRO CA C 13 63.390 0.300 . 1 . . . . 93 PRO CA . 10124 1 1073 . 1 1 93 93 PRO CB C 13 32.251 0.300 . 1 . . . . 93 PRO CB . 10124 1 1074 . 1 1 93 93 PRO CG C 13 27.164 0.300 . 1 . . . . 93 PRO CG . 10124 1 1075 . 1 1 93 93 PRO CD C 13 49.793 0.300 . 1 . . . . 93 PRO CD . 10124 1 stop_ save_