data_10103 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10103 _Entry.Title ; Solution structure of the fourth PDZ domain of human scribble (KIAA0147 protein) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-02-13 _Entry.Accession_date 2007-02-13 _Entry.Last_release_date 2008-08-15 _Entry.Original_release_date 2008-08-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 N. Tochio . . . 10103 2 S. Koshiba . . . 10103 3 T. Kigawa . . . 10103 4 S. Yokoyama . . . 10103 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Protein Research Group, RIKEN Genomic Sciences Center' . 10103 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10103 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 425 10103 '15N chemical shifts' 108 10103 '1H chemical shifts' 696 10103 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-08-15 2007-02-13 original author . 10103 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1UJU 'BMRB Entry Tracking System' 10103 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10103 _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 fourth PDZ domain of human scribble (KIAA0147 protein)' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 N. Tochio . . . 10103 1 2 S. Koshiba . . . 10103 1 3 T. Kigawa . . . 10103 1 4 S. Yokoyama . . . 10103 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10103 _Assembly.ID 1 _Assembly.Name 'KIAA0147 protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID 'protein monomer' 10103 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'KIAA0147 protein' 1 $entity_1 . . yes native no no . . . 10103 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 1UJU . . . . . . 10103 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10103 _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 ; GSSGSSGPGLRELCIQKAPG ERLGISIRGGARGHAGNPRD PTDEGIFISKVSPTGAAGRD GRLRVGLRLLEVNQQSLLGL THGEAVQLLRSVGDTLTVLV CDGFESGPSSG ; _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 111 _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 1UJU . "Solution Structure Of The Fourth Pdz Domain Of Human Scribble (Kiaa0147 Protein)" . . . . . 100.00 111 100.00 100.00 3.58e-69 . . . . 10103 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PDZ domain' . 10103 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 . 10103 1 2 . SER . 10103 1 3 . SER . 10103 1 4 . GLY . 10103 1 5 . SER . 10103 1 6 . SER . 10103 1 7 . GLY . 10103 1 8 . PRO . 10103 1 9 . GLY . 10103 1 10 . LEU . 10103 1 11 . ARG . 10103 1 12 . GLU . 10103 1 13 . LEU . 10103 1 14 . CYS . 10103 1 15 . ILE . 10103 1 16 . GLN . 10103 1 17 . LYS . 10103 1 18 . ALA . 10103 1 19 . PRO . 10103 1 20 . GLY . 10103 1 21 . GLU . 10103 1 22 . ARG . 10103 1 23 . LEU . 10103 1 24 . GLY . 10103 1 25 . ILE . 10103 1 26 . SER . 10103 1 27 . ILE . 10103 1 28 . ARG . 10103 1 29 . GLY . 10103 1 30 . GLY . 10103 1 31 . ALA . 10103 1 32 . ARG . 10103 1 33 . GLY . 10103 1 34 . HIS . 10103 1 35 . ALA . 10103 1 36 . GLY . 10103 1 37 . ASN . 10103 1 38 . PRO . 10103 1 39 . ARG . 10103 1 40 . ASP . 10103 1 41 . PRO . 10103 1 42 . THR . 10103 1 43 . ASP . 10103 1 44 . GLU . 10103 1 45 . GLY . 10103 1 46 . ILE . 10103 1 47 . PHE . 10103 1 48 . ILE . 10103 1 49 . SER . 10103 1 50 . LYS . 10103 1 51 . VAL . 10103 1 52 . SER . 10103 1 53 . PRO . 10103 1 54 . THR . 10103 1 55 . GLY . 10103 1 56 . ALA . 10103 1 57 . ALA . 10103 1 58 . GLY . 10103 1 59 . ARG . 10103 1 60 . ASP . 10103 1 61 . GLY . 10103 1 62 . ARG . 10103 1 63 . LEU . 10103 1 64 . ARG . 10103 1 65 . VAL . 10103 1 66 . GLY . 10103 1 67 . LEU . 10103 1 68 . ARG . 10103 1 69 . LEU . 10103 1 70 . LEU . 10103 1 71 . GLU . 10103 1 72 . VAL . 10103 1 73 . ASN . 10103 1 74 . GLN . 10103 1 75 . GLN . 10103 1 76 . SER . 10103 1 77 . LEU . 10103 1 78 . LEU . 10103 1 79 . GLY . 10103 1 80 . LEU . 10103 1 81 . THR . 10103 1 82 . HIS . 10103 1 83 . GLY . 10103 1 84 . GLU . 10103 1 85 . ALA . 10103 1 86 . VAL . 10103 1 87 . GLN . 10103 1 88 . LEU . 10103 1 89 . LEU . 10103 1 90 . ARG . 10103 1 91 . SER . 10103 1 92 . VAL . 10103 1 93 . GLY . 10103 1 94 . ASP . 10103 1 95 . THR . 10103 1 96 . LEU . 10103 1 97 . THR . 10103 1 98 . VAL . 10103 1 99 . LEU . 10103 1 100 . VAL . 10103 1 101 . CYS . 10103 1 102 . ASP . 10103 1 103 . GLY . 10103 1 104 . PHE . 10103 1 105 . GLU . 10103 1 106 . SER . 10103 1 107 . GLY . 10103 1 108 . PRO . 10103 1 109 . SER . 10103 1 110 . SER . 10103 1 111 . GLY . 10103 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 10103 1 . SER 2 2 10103 1 . SER 3 3 10103 1 . GLY 4 4 10103 1 . SER 5 5 10103 1 . SER 6 6 10103 1 . GLY 7 7 10103 1 . PRO 8 8 10103 1 . GLY 9 9 10103 1 . LEU 10 10 10103 1 . ARG 11 11 10103 1 . GLU 12 12 10103 1 . LEU 13 13 10103 1 . CYS 14 14 10103 1 . ILE 15 15 10103 1 . GLN 16 16 10103 1 . LYS 17 17 10103 1 . ALA 18 18 10103 1 . PRO 19 19 10103 1 . GLY 20 20 10103 1 . GLU 21 21 10103 1 . ARG 22 22 10103 1 . LEU 23 23 10103 1 . GLY 24 24 10103 1 . ILE 25 25 10103 1 . SER 26 26 10103 1 . ILE 27 27 10103 1 . ARG 28 28 10103 1 . GLY 29 29 10103 1 . GLY 30 30 10103 1 . ALA 31 31 10103 1 . ARG 32 32 10103 1 . GLY 33 33 10103 1 . HIS 34 34 10103 1 . ALA 35 35 10103 1 . GLY 36 36 10103 1 . ASN 37 37 10103 1 . PRO 38 38 10103 1 . ARG 39 39 10103 1 . ASP 40 40 10103 1 . PRO 41 41 10103 1 . THR 42 42 10103 1 . ASP 43 43 10103 1 . GLU 44 44 10103 1 . GLY 45 45 10103 1 . ILE 46 46 10103 1 . PHE 47 47 10103 1 . ILE 48 48 10103 1 . SER 49 49 10103 1 . LYS 50 50 10103 1 . VAL 51 51 10103 1 . SER 52 52 10103 1 . PRO 53 53 10103 1 . THR 54 54 10103 1 . GLY 55 55 10103 1 . ALA 56 56 10103 1 . ALA 57 57 10103 1 . GLY 58 58 10103 1 . ARG 59 59 10103 1 . ASP 60 60 10103 1 . GLY 61 61 10103 1 . ARG 62 62 10103 1 . LEU 63 63 10103 1 . ARG 64 64 10103 1 . VAL 65 65 10103 1 . GLY 66 66 10103 1 . LEU 67 67 10103 1 . ARG 68 68 10103 1 . LEU 69 69 10103 1 . LEU 70 70 10103 1 . GLU 71 71 10103 1 . VAL 72 72 10103 1 . ASN 73 73 10103 1 . GLN 74 74 10103 1 . GLN 75 75 10103 1 . SER 76 76 10103 1 . LEU 77 77 10103 1 . LEU 78 78 10103 1 . GLY 79 79 10103 1 . LEU 80 80 10103 1 . THR 81 81 10103 1 . HIS 82 82 10103 1 . GLY 83 83 10103 1 . GLU 84 84 10103 1 . ALA 85 85 10103 1 . VAL 86 86 10103 1 . GLN 87 87 10103 1 . LEU 88 88 10103 1 . LEU 89 89 10103 1 . ARG 90 90 10103 1 . SER 91 91 10103 1 . VAL 92 92 10103 1 . GLY 93 93 10103 1 . ASP 94 94 10103 1 . THR 95 95 10103 1 . LEU 96 96 10103 1 . THR 97 97 10103 1 . VAL 98 98 10103 1 . LEU 99 99 10103 1 . VAL 100 100 10103 1 . CYS 101 101 10103 1 . ASP 102 102 10103 1 . GLY 103 103 10103 1 . PHE 104 104 10103 1 . GLU 105 105 10103 1 . SER 106 106 10103 1 . GLY 107 107 10103 1 . PRO 108 108 10103 1 . SER 109 109 10103 1 . SER 110 110 10103 1 . GLY 111 111 10103 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 10103 _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 . . . . . . . . . . . . . . . . . . . . . 10103 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 10103 _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 . . P021030-58 . . . . . . 10103 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10103 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PDZ domain' '[U-13C; U-15N]' . . 1 $entity_1 . . 1.5 . . mM . . . . 10103 1 2 phosphate . . . . . . buffer 20 . . mM . . . . 10103 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10103 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10103 1 5 NaN3 . . . . . . . 0.02 . . % . . . . 10103 1 6 H2O . . . . . . solvent 90 . . % . . . . 10103 1 7 D2O . . . . . . solvent 10 . . % . . . . 10103 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 10103 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 10103 1 pH 6.0 0.05 pH 10103 1 pressure 1 0.001 atm 10103 1 temperature 298 0.1 K 10103 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10103 _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 . . 10103 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10103 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10103 _Software.ID 2 _Software.Name NMRPipe _Software.Version 200204025 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10103 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10103 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10103 _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.' . . 10103 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10103 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10103 _Software.ID 4 _Software.Name Kujira _Software.Version 0.816 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10103 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10103 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10103 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 10103 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10103 5 'structure solution' 10103 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 10103 _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_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 10103 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10103 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10103 1 stop_ save_ save_3D_13C-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C-separated_NOESY _NMR_spec_expt.Entry_ID 10103 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N-separated_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N-separated_NOESY _NMR_spec_expt.Entry_ID 10103 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10103 _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 . . . . . . . . . 10103 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10103 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10103 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 10103 _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 10103 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10103 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 2 2 SER HA H 1 4.588 0.030 . 1 . . . . 2 SER HA . 10103 1 2 . 1 1 2 2 SER HB2 H 1 3.921 0.030 . 1 . . . . 2 SER HB2 . 10103 1 3 . 1 1 2 2 SER HB3 H 1 3.921 0.030 . 1 . . . . 2 SER HB3 . 10103 1 4 . 1 1 2 2 SER C C 13 174.866 0.300 . 1 . . . . 2 SER C . 10103 1 5 . 1 1 2 2 SER CA C 13 58.384 0.300 . 1 . . . . 2 SER CA . 10103 1 6 . 1 1 2 2 SER CB C 13 64.117 0.300 . 1 . . . . 2 SER CB . 10103 1 7 . 1 1 3 3 SER H H 1 8.615 0.030 . 1 . . . . 3 SER H . 10103 1 8 . 1 1 3 3 SER HA H 1 4.525 0.030 . 1 . . . . 3 SER HA . 10103 1 9 . 1 1 3 3 SER HB2 H 1 3.933 0.030 . 1 . . . . 3 SER HB2 . 10103 1 10 . 1 1 3 3 SER HB3 H 1 3.933 0.030 . 1 . . . . 3 SER HB3 . 10103 1 11 . 1 1 3 3 SER C C 13 175.109 0.300 . 1 . . . . 3 SER C . 10103 1 12 . 1 1 3 3 SER CA C 13 58.895 0.300 . 1 . . . . 3 SER CA . 10103 1 13 . 1 1 3 3 SER CB C 13 63.953 0.300 . 1 . . . . 3 SER CB . 10103 1 14 . 1 1 3 3 SER N N 15 118.239 0.300 . 1 . . . . 3 SER N . 10103 1 15 . 1 1 4 4 GLY H H 1 8.482 0.030 . 1 . . . . 4 GLY H . 10103 1 16 . 1 1 4 4 GLY HA2 H 1 4.032 0.030 . 1 . . . . 4 GLY HA2 . 10103 1 17 . 1 1 4 4 GLY HA3 H 1 4.032 0.030 . 1 . . . . 4 GLY HA3 . 10103 1 18 . 1 1 4 4 GLY C C 13 174.333 0.300 . 1 . . . . 4 GLY C . 10103 1 19 . 1 1 4 4 GLY CA C 13 45.437 0.300 . 1 . . . . 4 GLY CA . 10103 1 20 . 1 1 4 4 GLY N N 15 110.887 0.300 . 1 . . . . 4 GLY N . 10103 1 21 . 1 1 5 5 SER H H 1 8.222 0.030 . 1 . . . . 5 SER H . 10103 1 22 . 1 1 5 5 SER C C 13 174.237 0.300 . 1 . . . . 5 SER C . 10103 1 23 . 1 1 5 5 SER CA C 13 58.384 0.300 . 1 . . . . 5 SER CA . 10103 1 24 . 1 1 5 5 SER CB C 13 63.824 0.300 . 1 . . . . 5 SER CB . 10103 1 25 . 1 1 5 5 SER N N 15 115.842 0.300 . 1 . . . . 5 SER N . 10103 1 26 . 1 1 8 8 PRO HA H 1 4.512 0.030 . 1 . . . . 8 PRO HA . 10103 1 27 . 1 1 8 8 PRO HB2 H 1 2.303 0.030 . 2 . . . . 8 PRO HB2 . 10103 1 28 . 1 1 8 8 PRO HB3 H 1 2.005 0.030 . 2 . . . . 8 PRO HB3 . 10103 1 29 . 1 1 8 8 PRO HG2 H 1 2.036 0.030 . 1 . . . . 8 PRO HG2 . 10103 1 30 . 1 1 8 8 PRO HG3 H 1 2.036 0.030 . 1 . . . . 8 PRO HG3 . 10103 1 31 . 1 1 8 8 PRO HD2 H 1 3.640 0.030 . 1 . . . . 8 PRO HD2 . 10103 1 32 . 1 1 8 8 PRO HD3 H 1 3.640 0.030 . 1 . . . . 8 PRO HD3 . 10103 1 33 . 1 1 8 8 PRO C C 13 177.386 0.300 . 1 . . . . 8 PRO C . 10103 1 34 . 1 1 8 8 PRO CA C 13 63.098 0.300 . 1 . . . . 8 PRO CA . 10103 1 35 . 1 1 8 8 PRO CB C 13 32.256 0.300 . 1 . . . . 8 PRO CB . 10103 1 36 . 1 1 8 8 PRO CG C 13 27.244 0.300 . 1 . . . . 8 PRO CG . 10103 1 37 . 1 1 8 8 PRO CD C 13 49.810 0.300 . 1 . . . . 8 PRO CD . 10103 1 38 . 1 1 9 9 GLY H H 1 8.703 0.030 . 1 . . . . 9 GLY H . 10103 1 39 . 1 1 9 9 GLY HA2 H 1 3.929 0.030 . 2 . . . . 9 GLY HA2 . 10103 1 40 . 1 1 9 9 GLY HA3 H 1 3.824 0.030 . 2 . . . . 9 GLY HA3 . 10103 1 41 . 1 1 9 9 GLY C C 13 174.237 0.300 . 1 . . . . 9 GLY C . 10103 1 42 . 1 1 9 9 GLY CA C 13 46.308 0.300 . 1 . . . . 9 GLY CA . 10103 1 43 . 1 1 9 9 GLY N N 15 110.494 0.300 . 1 . . . . 9 GLY N . 10103 1 44 . 1 1 10 10 LEU H H 1 7.523 0.030 . 1 . . . . 10 LEU H . 10103 1 45 . 1 1 10 10 LEU HA H 1 4.784 0.030 . 1 . . . . 10 LEU HA . 10103 1 46 . 1 1 10 10 LEU HB2 H 1 1.606 0.030 . 1 . . . . 10 LEU HB2 . 10103 1 47 . 1 1 10 10 LEU HB3 H 1 1.606 0.030 . 1 . . . . 10 LEU HB3 . 10103 1 48 . 1 1 10 10 LEU HG H 1 1.504 0.030 . 1 . . . . 10 LEU HG . 10103 1 49 . 1 1 10 10 LEU HD11 H 1 0.804 0.030 . 1 . . . . 10 LEU HD1 . 10103 1 50 . 1 1 10 10 LEU HD12 H 1 0.804 0.030 . 1 . . . . 10 LEU HD1 . 10103 1 51 . 1 1 10 10 LEU HD13 H 1 0.804 0.030 . 1 . . . . 10 LEU HD1 . 10103 1 52 . 1 1 10 10 LEU HD21 H 1 0.698 0.030 . 1 . . . . 10 LEU HD2 . 10103 1 53 . 1 1 10 10 LEU HD22 H 1 0.698 0.030 . 1 . . . . 10 LEU HD2 . 10103 1 54 . 1 1 10 10 LEU HD23 H 1 0.698 0.030 . 1 . . . . 10 LEU HD2 . 10103 1 55 . 1 1 10 10 LEU C C 13 177.653 0.300 . 1 . . . . 10 LEU C . 10103 1 56 . 1 1 10 10 LEU CA C 13 55.393 0.300 . 1 . . . . 10 LEU CA . 10103 1 57 . 1 1 10 10 LEU CB C 13 43.068 0.300 . 1 . . . . 10 LEU CB . 10103 1 58 . 1 1 10 10 LEU CD1 C 13 25.226 0.300 . 2 . . . . 10 LEU CD1 . 10103 1 59 . 1 1 10 10 LEU CD2 C 13 25.881 0.300 . 2 . . . . 10 LEU CD2 . 10103 1 60 . 1 1 10 10 LEU N N 15 121.470 0.300 . 1 . . . . 10 LEU N . 10103 1 61 . 1 1 11 11 ARG H H 1 8.995 0.030 . 1 . . . . 11 ARG H . 10103 1 62 . 1 1 11 11 ARG HA H 1 4.615 0.030 . 1 . . . . 11 ARG HA . 10103 1 63 . 1 1 11 11 ARG HB2 H 1 1.755 0.030 . 2 . . . . 11 ARG HB2 . 10103 1 64 . 1 1 11 11 ARG HB3 H 1 1.651 0.030 . 2 . . . . 11 ARG HB3 . 10103 1 65 . 1 1 11 11 ARG HG2 H 1 1.610 0.030 . 2 . . . . 11 ARG HG2 . 10103 1 66 . 1 1 11 11 ARG HG3 H 1 1.469 0.030 . 2 . . . . 11 ARG HG3 . 10103 1 67 . 1 1 11 11 ARG HD2 H 1 3.159 0.030 . 2 . . . . 11 ARG HD2 . 10103 1 68 . 1 1 11 11 ARG HD3 H 1 3.074 0.030 . 2 . . . . 11 ARG HD3 . 10103 1 69 . 1 1 11 11 ARG HE H 1 7.032 0.030 . 1 . . . . 11 ARG HE . 10103 1 70 . 1 1 11 11 ARG C C 13 173.001 0.300 . 1 . . . . 11 ARG C . 10103 1 71 . 1 1 11 11 ARG CA C 13 55.545 0.300 . 1 . . . . 11 ARG CA . 10103 1 72 . 1 1 11 11 ARG CB C 13 33.452 0.300 . 1 . . . . 11 ARG CB . 10103 1 73 . 1 1 11 11 ARG CG C 13 26.483 0.300 . 1 . . . . 11 ARG CG . 10103 1 74 . 1 1 11 11 ARG CD C 13 44.283 0.300 . 1 . . . . 11 ARG CD . 10103 1 75 . 1 1 11 11 ARG N N 15 123.771 0.300 . 1 . . . . 11 ARG N . 10103 1 76 . 1 1 11 11 ARG NE N 15 85.011 0.300 . 1 . . . . 11 ARG NE . 10103 1 77 . 1 1 12 12 GLU H H 1 8.613 0.030 . 1 . . . . 12 GLU H . 10103 1 78 . 1 1 12 12 GLU HA H 1 5.300 0.030 . 1 . . . . 12 GLU HA . 10103 1 79 . 1 1 12 12 GLU HB2 H 1 1.994 0.030 . 2 . . . . 12 GLU HB2 . 10103 1 80 . 1 1 12 12 GLU HB3 H 1 1.806 0.030 . 2 . . . . 12 GLU HB3 . 10103 1 81 . 1 1 12 12 GLU HG2 H 1 2.014 0.030 . 2 . . . . 12 GLU HG2 . 10103 1 82 . 1 1 12 12 GLU HG3 H 1 1.912 0.030 . 2 . . . . 12 GLU HG3 . 10103 1 83 . 1 1 12 12 GLU C C 13 175.739 0.300 . 1 . . . . 12 GLU C . 10103 1 84 . 1 1 12 12 GLU CA C 13 54.655 0.300 . 1 . . . . 12 GLU CA . 10103 1 85 . 1 1 12 12 GLU CB C 13 32.343 0.300 . 1 . . . . 12 GLU CB . 10103 1 86 . 1 1 12 12 GLU CG C 13 37.724 0.300 . 1 . . . . 12 GLU CG . 10103 1 87 . 1 1 12 12 GLU N N 15 124.324 0.300 . 1 . . . . 12 GLU N . 10103 1 88 . 1 1 13 13 LEU H H 1 9.122 0.030 . 1 . . . . 13 LEU H . 10103 1 89 . 1 1 13 13 LEU HA H 1 4.649 0.030 . 1 . . . . 13 LEU HA . 10103 1 90 . 1 1 13 13 LEU HB2 H 1 1.639 0.030 . 2 . . . . 13 LEU HB2 . 10103 1 91 . 1 1 13 13 LEU HB3 H 1 1.270 0.030 . 2 . . . . 13 LEU HB3 . 10103 1 92 . 1 1 13 13 LEU HG H 1 1.514 0.030 . 1 . . . . 13 LEU HG . 10103 1 93 . 1 1 13 13 LEU HD11 H 1 0.671 0.030 . 1 . . . . 13 LEU HD1 . 10103 1 94 . 1 1 13 13 LEU HD12 H 1 0.671 0.030 . 1 . . . . 13 LEU HD1 . 10103 1 95 . 1 1 13 13 LEU HD13 H 1 0.671 0.030 . 1 . . . . 13 LEU HD1 . 10103 1 96 . 1 1 13 13 LEU HD21 H 1 0.742 0.030 . 1 . . . . 13 LEU HD2 . 10103 1 97 . 1 1 13 13 LEU HD22 H 1 0.742 0.030 . 1 . . . . 13 LEU HD2 . 10103 1 98 . 1 1 13 13 LEU HD23 H 1 0.742 0.030 . 1 . . . . 13 LEU HD2 . 10103 1 99 . 1 1 13 13 LEU C C 13 174.285 0.300 . 1 . . . . 13 LEU C . 10103 1 100 . 1 1 13 13 LEU CA C 13 54.092 0.300 . 1 . . . . 13 LEU CA . 10103 1 101 . 1 1 13 13 LEU CB C 13 44.884 0.300 . 1 . . . . 13 LEU CB . 10103 1 102 . 1 1 13 13 LEU CG C 13 26.999 0.300 . 1 . . . . 13 LEU CG . 10103 1 103 . 1 1 13 13 LEU CD1 C 13 26.387 0.300 . 2 . . . . 13 LEU CD1 . 10103 1 104 . 1 1 13 13 LEU CD2 C 13 24.685 0.300 . 2 . . . . 13 LEU CD2 . 10103 1 105 . 1 1 13 13 LEU N N 15 126.095 0.300 . 1 . . . . 13 LEU N . 10103 1 106 . 1 1 14 14 CYS H H 1 8.614 0.030 . 1 . . . . 14 CYS H . 10103 1 107 . 1 1 14 14 CYS HA H 1 5.188 0.030 . 1 . . . . 14 CYS HA . 10103 1 108 . 1 1 14 14 CYS HB2 H 1 2.813 0.030 . 1 . . . . 14 CYS HB2 . 10103 1 109 . 1 1 14 14 CYS HB3 H 1 2.813 0.030 . 1 . . . . 14 CYS HB3 . 10103 1 110 . 1 1 14 14 CYS C C 13 174.043 0.300 . 1 . . . . 14 CYS C . 10103 1 111 . 1 1 14 14 CYS CA C 13 57.645 0.300 . 1 . . . . 14 CYS CA . 10103 1 112 . 1 1 14 14 CYS CB C 13 27.454 0.300 . 1 . . . . 14 CYS CB . 10103 1 113 . 1 1 14 14 CYS N N 15 122.586 0.300 . 1 . . . . 14 CYS N . 10103 1 114 . 1 1 15 15 ILE H H 1 9.370 0.030 . 1 . . . . 15 ILE H . 10103 1 115 . 1 1 15 15 ILE HA H 1 4.255 0.030 . 1 . . . . 15 ILE HA . 10103 1 116 . 1 1 15 15 ILE HB H 1 1.701 0.030 . 1 . . . . 15 ILE HB . 10103 1 117 . 1 1 15 15 ILE HG12 H 1 1.363 0.030 . 2 . . . . 15 ILE HG12 . 10103 1 118 . 1 1 15 15 ILE HG13 H 1 1.080 0.030 . 2 . . . . 15 ILE HG13 . 10103 1 119 . 1 1 15 15 ILE HG21 H 1 0.674 0.030 . 1 . . . . 15 ILE HG2 . 10103 1 120 . 1 1 15 15 ILE HG22 H 1 0.674 0.030 . 1 . . . . 15 ILE HG2 . 10103 1 121 . 1 1 15 15 ILE HG23 H 1 0.674 0.030 . 1 . . . . 15 ILE HG2 . 10103 1 122 . 1 1 15 15 ILE HD11 H 1 0.729 0.030 . 1 . . . . 15 ILE HD1 . 10103 1 123 . 1 1 15 15 ILE HD12 H 1 0.729 0.030 . 1 . . . . 15 ILE HD1 . 10103 1 124 . 1 1 15 15 ILE HD13 H 1 0.729 0.030 . 1 . . . . 15 ILE HD1 . 10103 1 125 . 1 1 15 15 ILE C C 13 174.212 0.300 . 1 . . . . 15 ILE C . 10103 1 126 . 1 1 15 15 ILE CA C 13 59.946 0.300 . 1 . . . . 15 ILE CA . 10103 1 127 . 1 1 15 15 ILE CB C 13 40.437 0.300 . 1 . . . . 15 ILE CB . 10103 1 128 . 1 1 15 15 ILE CG1 C 13 28.186 0.300 . 1 . . . . 15 ILE CG1 . 10103 1 129 . 1 1 15 15 ILE CG2 C 13 17.060 0.300 . 1 . . . . 15 ILE CG2 . 10103 1 130 . 1 1 15 15 ILE CD1 C 13 13.929 0.300 . 1 . . . . 15 ILE CD1 . 10103 1 131 . 1 1 15 15 ILE N N 15 130.318 0.300 . 1 . . . . 15 ILE N . 10103 1 132 . 1 1 16 16 GLN H H 1 8.677 0.030 . 1 . . . . 16 GLN H . 10103 1 133 . 1 1 16 16 GLN HA H 1 4.823 0.030 . 1 . . . . 16 GLN HA . 10103 1 134 . 1 1 16 16 GLN HB2 H 1 2.069 0.030 . 2 . . . . 16 GLN HB2 . 10103 1 135 . 1 1 16 16 GLN HB3 H 1 1.921 0.030 . 2 . . . . 16 GLN HB3 . 10103 1 136 . 1 1 16 16 GLN HG2 H 1 2.355 0.030 . 1 . . . . 16 GLN HG2 . 10103 1 137 . 1 1 16 16 GLN HG3 H 1 2.355 0.030 . 1 . . . . 16 GLN HG3 . 10103 1 138 . 1 1 16 16 GLN HE21 H 1 7.505 0.030 . 2 . . . . 16 GLN HE21 . 10103 1 139 . 1 1 16 16 GLN HE22 H 1 6.777 0.030 . 2 . . . . 16 GLN HE22 . 10103 1 140 . 1 1 16 16 GLN C C 13 174.866 0.300 . 1 . . . . 16 GLN C . 10103 1 141 . 1 1 16 16 GLN CA C 13 54.830 0.300 . 1 . . . . 16 GLN CA . 10103 1 142 . 1 1 16 16 GLN CB C 13 30.124 0.300 . 1 . . . . 16 GLN CB . 10103 1 143 . 1 1 16 16 GLN CG C 13 33.863 0.300 . 1 . . . . 16 GLN CG . 10103 1 144 . 1 1 16 16 GLN N N 15 126.630 0.300 . 1 . . . . 16 GLN N . 10103 1 145 . 1 1 16 16 GLN NE2 N 15 112.345 0.300 . 1 . . . . 16 GLN NE2 . 10103 1 146 . 1 1 17 17 LYS H H 1 8.706 0.030 . 1 . . . . 17 LYS H . 10103 1 147 . 1 1 17 17 LYS HA H 1 4.510 0.030 . 1 . . . . 17 LYS HA . 10103 1 148 . 1 1 17 17 LYS HB2 H 1 1.689 0.030 . 2 . . . . 17 LYS HB2 . 10103 1 149 . 1 1 17 17 LYS HB3 H 1 1.595 0.030 . 2 . . . . 17 LYS HB3 . 10103 1 150 . 1 1 17 17 LYS HG2 H 1 1.288 0.030 . 2 . . . . 17 LYS HG2 . 10103 1 151 . 1 1 17 17 LYS HG3 H 1 1.208 0.030 . 2 . . . . 17 LYS HG3 . 10103 1 152 . 1 1 17 17 LYS HD2 H 1 1.554 0.030 . 2 . . . . 17 LYS HD2 . 10103 1 153 . 1 1 17 17 LYS HD3 H 1 1.428 0.030 . 2 . . . . 17 LYS HD3 . 10103 1 154 . 1 1 17 17 LYS HE2 H 1 3.013 0.030 . 1 . . . . 17 LYS HE2 . 10103 1 155 . 1 1 17 17 LYS HE3 H 1 3.013 0.030 . 1 . . . . 17 LYS HE3 . 10103 1 156 . 1 1 17 17 LYS C C 13 175.036 0.300 . 1 . . . . 17 LYS C . 10103 1 157 . 1 1 17 17 LYS CA C 13 54.928 0.300 . 1 . . . . 17 LYS CA . 10103 1 158 . 1 1 17 17 LYS CB C 13 34.978 0.300 . 1 . . . . 17 LYS CB . 10103 1 159 . 1 1 17 17 LYS CG C 13 23.461 0.300 . 1 . . . . 17 LYS CG . 10103 1 160 . 1 1 17 17 LYS CD C 13 29.698 0.300 . 1 . . . . 17 LYS CD . 10103 1 161 . 1 1 17 17 LYS CE C 13 41.874 0.300 . 1 . . . . 17 LYS CE . 10103 1 162 . 1 1 17 17 LYS N N 15 123.586 0.300 . 1 . . . . 17 LYS N . 10103 1 163 . 1 1 18 18 ALA H H 1 9.137 0.030 . 1 . . . . 18 ALA H . 10103 1 164 . 1 1 18 18 ALA HA H 1 4.625 0.030 . 1 . . . . 18 ALA HA . 10103 1 165 . 1 1 18 18 ALA HB1 H 1 1.320 0.030 . 1 . . . . 18 ALA HB . 10103 1 166 . 1 1 18 18 ALA HB2 H 1 1.320 0.030 . 1 . . . . 18 ALA HB . 10103 1 167 . 1 1 18 18 ALA HB3 H 1 1.320 0.030 . 1 . . . . 18 ALA HB . 10103 1 168 . 1 1 18 18 ALA C C 13 175.908 0.300 . 1 . . . . 18 ALA C . 10103 1 169 . 1 1 18 18 ALA CA C 13 50.362 0.300 . 1 . . . . 18 ALA CA . 10103 1 170 . 1 1 18 18 ALA CB C 13 17.179 0.300 . 1 . . . . 18 ALA CB . 10103 1 171 . 1 1 18 18 ALA N N 15 128.196 0.300 . 1 . . . . 18 ALA N . 10103 1 172 . 1 1 19 19 PRO HA H 1 4.356 0.030 . 1 . . . . 19 PRO HA . 10103 1 173 . 1 1 19 19 PRO HB2 H 1 2.320 0.030 . 2 . . . . 19 PRO HB2 . 10103 1 174 . 1 1 19 19 PRO HB3 H 1 1.876 0.030 . 2 . . . . 19 PRO HB3 . 10103 1 175 . 1 1 19 19 PRO HG2 H 1 2.153 0.030 . 2 . . . . 19 PRO HG2 . 10103 1 176 . 1 1 19 19 PRO HG3 H 1 2.055 0.030 . 2 . . . . 19 PRO HG3 . 10103 1 177 . 1 1 19 19 PRO HD2 H 1 3.868 0.030 . 2 . . . . 19 PRO HD2 . 10103 1 178 . 1 1 19 19 PRO HD3 H 1 3.608 0.030 . 2 . . . . 19 PRO HD3 . 10103 1 179 . 1 1 19 19 PRO C C 13 178.598 0.300 . 1 . . . . 19 PRO C . 10103 1 180 . 1 1 19 19 PRO CA C 13 64.646 0.300 . 1 . . . . 19 PRO CA . 10103 1 181 . 1 1 19 19 PRO CB C 13 31.347 0.300 . 1 . . . . 19 PRO CB . 10103 1 182 . 1 1 19 19 PRO CG C 13 28.053 0.300 . 1 . . . . 19 PRO CG . 10103 1 183 . 1 1 19 19 PRO CD C 13 50.188 0.300 . 1 . . . . 19 PRO CD . 10103 1 184 . 1 1 20 20 GLY H H 1 8.759 0.030 . 1 . . . . 20 GLY H . 10103 1 185 . 1 1 20 20 GLY HA2 H 1 4.074 0.030 . 2 . . . . 20 GLY HA2 . 10103 1 186 . 1 1 20 20 GLY HA3 H 1 3.793 0.030 . 2 . . . . 20 GLY HA3 . 10103 1 187 . 1 1 20 20 GLY C C 13 174.043 0.300 . 1 . . . . 20 GLY C . 10103 1 188 . 1 1 20 20 GLY CA C 13 45.507 0.300 . 1 . . . . 20 GLY CA . 10103 1 189 . 1 1 20 20 GLY N N 15 111.858 0.300 . 1 . . . . 20 GLY N . 10103 1 190 . 1 1 21 21 GLU H H 1 7.973 0.030 . 1 . . . . 21 GLU H . 10103 1 191 . 1 1 21 21 GLU HA H 1 4.381 0.030 . 1 . . . . 21 GLU HA . 10103 1 192 . 1 1 21 21 GLU HB2 H 1 2.187 0.030 . 2 . . . . 21 GLU HB2 . 10103 1 193 . 1 1 21 21 GLU HB3 H 1 1.970 0.030 . 2 . . . . 21 GLU HB3 . 10103 1 194 . 1 1 21 21 GLU HG2 H 1 2.523 0.030 . 2 . . . . 21 GLU HG2 . 10103 1 195 . 1 1 21 21 GLU HG3 H 1 2.314 0.030 . 2 . . . . 21 GLU HG3 . 10103 1 196 . 1 1 21 21 GLU C C 13 176.466 0.300 . 1 . . . . 21 GLU C . 10103 1 197 . 1 1 21 21 GLU CA C 13 55.838 0.300 . 1 . . . . 21 GLU CA . 10103 1 198 . 1 1 21 21 GLU CB C 13 32.261 0.300 . 1 . . . . 21 GLU CB . 10103 1 199 . 1 1 21 21 GLU CG C 13 36.643 0.300 . 1 . . . . 21 GLU CG . 10103 1 200 . 1 1 21 21 GLU N N 15 122.480 0.300 . 1 . . . . 21 GLU N . 10103 1 201 . 1 1 22 22 ARG H H 1 8.682 0.030 . 1 . . . . 22 ARG H . 10103 1 202 . 1 1 22 22 ARG HA H 1 4.529 0.030 . 1 . . . . 22 ARG HA . 10103 1 203 . 1 1 22 22 ARG HB2 H 1 2.053 0.030 . 2 . . . . 22 ARG HB2 . 10103 1 204 . 1 1 22 22 ARG HB3 H 1 1.817 0.030 . 2 . . . . 22 ARG HB3 . 10103 1 205 . 1 1 22 22 ARG HG2 H 1 1.741 0.030 . 1 . . . . 22 ARG HG2 . 10103 1 206 . 1 1 22 22 ARG HG3 H 1 1.741 0.030 . 1 . . . . 22 ARG HG3 . 10103 1 207 . 1 1 22 22 ARG HD2 H 1 3.252 0.030 . 1 . . . . 22 ARG HD2 . 10103 1 208 . 1 1 22 22 ARG HD3 H 1 3.252 0.030 . 1 . . . . 22 ARG HD3 . 10103 1 209 . 1 1 22 22 ARG C C 13 176.877 0.300 . 1 . . . . 22 ARG C . 10103 1 210 . 1 1 22 22 ARG CA C 13 54.971 0.300 . 1 . . . . 22 ARG CA . 10103 1 211 . 1 1 22 22 ARG CB C 13 31.086 0.300 . 1 . . . . 22 ARG CB . 10103 1 212 . 1 1 22 22 ARG CG C 13 27.455 0.300 . 1 . . . . 22 ARG CG . 10103 1 213 . 1 1 22 22 ARG CD C 13 43.315 0.300 . 1 . . . . 22 ARG CD . 10103 1 214 . 1 1 22 22 ARG N N 15 123.402 0.300 . 1 . . . . 22 ARG N . 10103 1 215 . 1 1 23 23 LEU H H 1 9.166 0.030 . 1 . . . . 23 LEU H . 10103 1 216 . 1 1 23 23 LEU HA H 1 4.052 0.030 . 1 . . . . 23 LEU HA . 10103 1 217 . 1 1 23 23 LEU HB2 H 1 1.919 0.030 . 2 . . . . 23 LEU HB2 . 10103 1 218 . 1 1 23 23 LEU HB3 H 1 1.656 0.030 . 2 . . . . 23 LEU HB3 . 10103 1 219 . 1 1 23 23 LEU HG H 1 1.641 0.030 . 1 . . . . 23 LEU HG . 10103 1 220 . 1 1 23 23 LEU HD11 H 1 0.920 0.030 . 1 . . . . 23 LEU HD1 . 10103 1 221 . 1 1 23 23 LEU HD12 H 1 0.920 0.030 . 1 . . . . 23 LEU HD1 . 10103 1 222 . 1 1 23 23 LEU HD13 H 1 0.920 0.030 . 1 . . . . 23 LEU HD1 . 10103 1 223 . 1 1 23 23 LEU HD21 H 1 0.916 0.030 . 1 . . . . 23 LEU HD2 . 10103 1 224 . 1 1 23 23 LEU HD22 H 1 0.916 0.030 . 1 . . . . 23 LEU HD2 . 10103 1 225 . 1 1 23 23 LEU HD23 H 1 0.916 0.030 . 1 . . . . 23 LEU HD2 . 10103 1 226 . 1 1 23 23 LEU C C 13 178.065 0.300 . 1 . . . . 23 LEU C . 10103 1 227 . 1 1 23 23 LEU CA C 13 58.303 0.300 . 1 . . . . 23 LEU CA . 10103 1 228 . 1 1 23 23 LEU CB C 13 41.968 0.300 . 1 . . . . 23 LEU CB . 10103 1 229 . 1 1 23 23 LEU CG C 13 27.430 0.300 . 1 . . . . 23 LEU CG . 10103 1 230 . 1 1 23 23 LEU CD1 C 13 25.719 0.300 . 2 . . . . 23 LEU CD1 . 10103 1 231 . 1 1 23 23 LEU CD2 C 13 24.142 0.300 . 2 . . . . 23 LEU CD2 . 10103 1 232 . 1 1 23 23 LEU N N 15 123.242 0.300 . 1 . . . . 23 LEU N . 10103 1 233 . 1 1 24 24 GLY H H 1 8.738 0.030 . 1 . . . . 24 GLY H . 10103 1 234 . 1 1 24 24 GLY HA2 H 1 3.981 0.030 . 1 . . . . 24 GLY HA2 . 10103 1 235 . 1 1 24 24 GLY HA3 H 1 3.981 0.030 . 1 . . . . 24 GLY HA3 . 10103 1 236 . 1 1 24 24 GLY C C 13 175.036 0.300 . 1 . . . . 24 GLY C . 10103 1 237 . 1 1 24 24 GLY CA C 13 47.231 0.300 . 1 . . . . 24 GLY CA . 10103 1 238 . 1 1 24 24 GLY N N 15 104.166 0.300 . 1 . . . . 24 GLY N . 10103 1 239 . 1 1 25 25 ILE H H 1 7.667 0.030 . 1 . . . . 25 ILE H . 10103 1 240 . 1 1 25 25 ILE HA H 1 4.950 0.030 . 1 . . . . 25 ILE HA . 10103 1 241 . 1 1 25 25 ILE HB H 1 1.759 0.030 . 1 . . . . 25 ILE HB . 10103 1 242 . 1 1 25 25 ILE HG12 H 1 1.414 0.030 . 2 . . . . 25 ILE HG12 . 10103 1 243 . 1 1 25 25 ILE HG13 H 1 0.783 0.030 . 2 . . . . 25 ILE HG13 . 10103 1 244 . 1 1 25 25 ILE HG21 H 1 0.800 0.030 . 1 . . . . 25 ILE HG2 . 10103 1 245 . 1 1 25 25 ILE HG22 H 1 0.800 0.030 . 1 . . . . 25 ILE HG2 . 10103 1 246 . 1 1 25 25 ILE HG23 H 1 0.800 0.030 . 1 . . . . 25 ILE HG2 . 10103 1 247 . 1 1 25 25 ILE HD11 H 1 0.674 0.030 . 1 . . . . 25 ILE HD1 . 10103 1 248 . 1 1 25 25 ILE HD12 H 1 0.674 0.030 . 1 . . . . 25 ILE HD1 . 10103 1 249 . 1 1 25 25 ILE HD13 H 1 0.674 0.030 . 1 . . . . 25 ILE HD1 . 10103 1 250 . 1 1 25 25 ILE C C 13 175.472 0.300 . 1 . . . . 25 ILE C . 10103 1 251 . 1 1 25 25 ILE CA C 13 59.967 0.300 . 1 . . . . 25 ILE CA . 10103 1 252 . 1 1 25 25 ILE CB C 13 41.424 0.300 . 1 . . . . 25 ILE CB . 10103 1 253 . 1 1 25 25 ILE CG1 C 13 26.512 0.300 . 1 . . . . 25 ILE CG1 . 10103 1 254 . 1 1 25 25 ILE CG2 C 13 18.520 0.300 . 1 . . . . 25 ILE CG2 . 10103 1 255 . 1 1 25 25 ILE CD1 C 13 13.632 0.300 . 1 . . . . 25 ILE CD1 . 10103 1 256 . 1 1 25 25 ILE N N 15 115.171 0.300 . 1 . . . . 25 ILE N . 10103 1 257 . 1 1 26 26 SER H H 1 8.672 0.030 . 1 . . . . 26 SER H . 10103 1 258 . 1 1 26 26 SER HA H 1 5.016 0.030 . 1 . . . . 26 SER HA . 10103 1 259 . 1 1 26 26 SER HB2 H 1 3.938 0.030 . 2 . . . . 26 SER HB2 . 10103 1 260 . 1 1 26 26 SER HB3 H 1 3.624 0.030 . 2 . . . . 26 SER HB3 . 10103 1 261 . 1 1 26 26 SER C C 13 173.437 0.300 . 1 . . . . 26 SER C . 10103 1 262 . 1 1 26 26 SER CA C 13 57.223 0.300 . 1 . . . . 26 SER CA . 10103 1 263 . 1 1 26 26 SER CB C 13 64.148 0.300 . 1 . . . . 26 SER CB . 10103 1 264 . 1 1 26 26 SER N N 15 120.869 0.300 . 1 . . . . 26 SER N . 10103 1 265 . 1 1 27 27 ILE H H 1 8.972 0.030 . 1 . . . . 27 ILE H . 10103 1 266 . 1 1 27 27 ILE HA H 1 5.495 0.030 . 1 . . . . 27 ILE HA . 10103 1 267 . 1 1 27 27 ILE HB H 1 1.811 0.030 . 1 . . . . 27 ILE HB . 10103 1 268 . 1 1 27 27 ILE HG12 H 1 1.277 0.030 . 2 . . . . 27 ILE HG12 . 10103 1 269 . 1 1 27 27 ILE HG13 H 1 0.905 0.030 . 2 . . . . 27 ILE HG13 . 10103 1 270 . 1 1 27 27 ILE HG21 H 1 0.618 0.030 . 1 . . . . 27 ILE HG2 . 10103 1 271 . 1 1 27 27 ILE HG22 H 1 0.618 0.030 . 1 . . . . 27 ILE HG2 . 10103 1 272 . 1 1 27 27 ILE HG23 H 1 0.618 0.030 . 1 . . . . 27 ILE HG2 . 10103 1 273 . 1 1 27 27 ILE HD11 H 1 0.529 0.030 . 1 . . . . 27 ILE HD1 . 10103 1 274 . 1 1 27 27 ILE HD12 H 1 0.529 0.030 . 1 . . . . 27 ILE HD1 . 10103 1 275 . 1 1 27 27 ILE HD13 H 1 0.529 0.030 . 1 . . . . 27 ILE HD1 . 10103 1 276 . 1 1 27 27 ILE C C 13 175.278 0.300 . 1 . . . . 27 ILE C . 10103 1 277 . 1 1 27 27 ILE CA C 13 59.023 0.300 . 1 . . . . 27 ILE CA . 10103 1 278 . 1 1 27 27 ILE CB C 13 42.963 0.300 . 1 . . . . 27 ILE CB . 10103 1 279 . 1 1 27 27 ILE CG1 C 13 25.133 0.300 . 1 . . . . 27 ILE CG1 . 10103 1 280 . 1 1 27 27 ILE CG2 C 13 18.977 0.300 . 1 . . . . 27 ILE CG2 . 10103 1 281 . 1 1 27 27 ILE CD1 C 13 14.783 0.300 . 1 . . . . 27 ILE CD1 . 10103 1 282 . 1 1 27 27 ILE N N 15 117.317 0.300 . 1 . . . . 27 ILE N . 10103 1 283 . 1 1 28 28 ARG H H 1 9.336 0.030 . 1 . . . . 28 ARG H . 10103 1 284 . 1 1 28 28 ARG HA H 1 4.969 0.030 . 1 . . . . 28 ARG HA . 10103 1 285 . 1 1 28 28 ARG HB2 H 1 1.935 0.030 . 2 . . . . 28 ARG HB2 . 10103 1 286 . 1 1 28 28 ARG HB3 H 1 1.791 0.030 . 2 . . . . 28 ARG HB3 . 10103 1 287 . 1 1 28 28 ARG HG2 H 1 1.726 0.030 . 2 . . . . 28 ARG HG2 . 10103 1 288 . 1 1 28 28 ARG HG3 H 1 1.562 0.030 . 2 . . . . 28 ARG HG3 . 10103 1 289 . 1 1 28 28 ARG HD2 H 1 3.156 0.030 . 1 . . . . 28 ARG HD2 . 10103 1 290 . 1 1 28 28 ARG HD3 H 1 3.156 0.030 . 1 . . . . 28 ARG HD3 . 10103 1 291 . 1 1 28 28 ARG C C 13 174.261 0.300 . 1 . . . . 28 ARG C . 10103 1 292 . 1 1 28 28 ARG CA C 13 54.169 0.300 . 1 . . . . 28 ARG CA . 10103 1 293 . 1 1 28 28 ARG CB C 13 34.106 0.300 . 1 . . . . 28 ARG CB . 10103 1 294 . 1 1 28 28 ARG CG C 13 27.197 0.300 . 1 . . . . 28 ARG CG . 10103 1 295 . 1 1 28 28 ARG CD C 13 43.322 0.300 . 1 . . . . 28 ARG CD . 10103 1 296 . 1 1 28 28 ARG N N 15 119.530 0.300 . 1 . . . . 28 ARG N . 10103 1 297 . 1 1 29 29 GLY H H 1 8.725 0.030 . 1 . . . . 29 GLY H . 10103 1 298 . 1 1 29 29 GLY HA2 H 1 5.325 0.030 . 2 . . . . 29 GLY HA2 . 10103 1 299 . 1 1 29 29 GLY HA3 H 1 4.007 0.030 . 2 . . . . 29 GLY HA3 . 10103 1 300 . 1 1 29 29 GLY C C 13 174.527 0.300 . 1 . . . . 29 GLY C . 10103 1 301 . 1 1 29 29 GLY CA C 13 44.100 0.300 . 1 . . . . 29 GLY CA . 10103 1 302 . 1 1 29 29 GLY N N 15 109.572 0.300 . 1 . . . . 29 GLY N . 10103 1 303 . 1 1 30 30 GLY H H 1 7.350 0.030 . 1 . . . . 30 GLY H . 10103 1 304 . 1 1 30 30 GLY HA2 H 1 4.474 0.030 . 2 . . . . 30 GLY HA2 . 10103 1 305 . 1 1 30 30 GLY HA3 H 1 3.714 0.030 . 2 . . . . 30 GLY HA3 . 10103 1 306 . 1 1 30 30 GLY C C 13 173.703 0.300 . 1 . . . . 30 GLY C . 10103 1 307 . 1 1 30 30 GLY CA C 13 43.854 0.300 . 1 . . . . 30 GLY CA . 10103 1 308 . 1 1 30 30 GLY N N 15 106.907 0.300 . 1 . . . . 30 GLY N . 10103 1 309 . 1 1 31 31 ALA H H 1 8.249 0.030 . 1 . . . . 31 ALA H . 10103 1 310 . 1 1 31 31 ALA HA H 1 4.260 0.030 . 1 . . . . 31 ALA HA . 10103 1 311 . 1 1 31 31 ALA HB1 H 1 1.181 0.030 . 1 . . . . 31 ALA HB . 10103 1 312 . 1 1 31 31 ALA HB2 H 1 1.181 0.030 . 1 . . . . 31 ALA HB . 10103 1 313 . 1 1 31 31 ALA HB3 H 1 1.181 0.030 . 1 . . . . 31 ALA HB . 10103 1 314 . 1 1 31 31 ALA C C 13 178.161 0.300 . 1 . . . . 31 ALA C . 10103 1 315 . 1 1 31 31 ALA CA C 13 52.790 0.300 . 1 . . . . 31 ALA CA . 10103 1 316 . 1 1 31 31 ALA CB C 13 19.109 0.300 . 1 . . . . 31 ALA CB . 10103 1 317 . 1 1 31 31 ALA N N 15 122.111 0.300 . 1 . . . . 31 ALA N . 10103 1 318 . 1 1 32 32 ARG H H 1 8.846 0.030 . 1 . . . . 32 ARG H . 10103 1 319 . 1 1 32 32 ARG HA H 1 4.267 0.030 . 1 . . . . 32 ARG HA . 10103 1 320 . 1 1 32 32 ARG HB2 H 1 1.927 0.030 . 2 . . . . 32 ARG HB2 . 10103 1 321 . 1 1 32 32 ARG HB3 H 1 1.874 0.030 . 2 . . . . 32 ARG HB3 . 10103 1 322 . 1 1 32 32 ARG HG2 H 1 1.687 0.030 . 1 . . . . 32 ARG HG2 . 10103 1 323 . 1 1 32 32 ARG HG3 H 1 1.687 0.030 . 1 . . . . 32 ARG HG3 . 10103 1 324 . 1 1 32 32 ARG HD2 H 1 3.267 0.030 . 2 . . . . 32 ARG HD2 . 10103 1 325 . 1 1 32 32 ARG HD3 H 1 3.200 0.030 . 2 . . . . 32 ARG HD3 . 10103 1 326 . 1 1 32 32 ARG C C 13 176.780 0.300 . 1 . . . . 32 ARG C . 10103 1 327 . 1 1 32 32 ARG CA C 13 56.695 0.300 . 1 . . . . 32 ARG CA . 10103 1 328 . 1 1 32 32 ARG CB C 13 30.154 0.300 . 1 . . . . 32 ARG CB . 10103 1 329 . 1 1 32 32 ARG CG C 13 27.446 0.300 . 1 . . . . 32 ARG CG . 10103 1 330 . 1 1 32 32 ARG CD C 13 43.439 0.300 . 1 . . . . 32 ARG CD . 10103 1 331 . 1 1 32 32 ARG N N 15 119.590 0.300 . 1 . . . . 32 ARG N . 10103 1 332 . 1 1 33 33 GLY H H 1 8.175 0.030 . 1 . . . . 33 GLY H . 10103 1 333 . 1 1 33 33 GLY HA2 H 1 4.010 0.030 . 2 . . . . 33 GLY HA2 . 10103 1 334 . 1 1 33 33 GLY HA3 H 1 3.847 0.030 . 2 . . . . 33 GLY HA3 . 10103 1 335 . 1 1 33 33 GLY C C 13 173.849 0.300 . 1 . . . . 33 GLY C . 10103 1 336 . 1 1 33 33 GLY CA C 13 45.263 0.300 . 1 . . . . 33 GLY CA . 10103 1 337 . 1 1 33 33 GLY N N 15 107.865 0.300 . 1 . . . . 33 GLY N . 10103 1 338 . 1 1 34 34 HIS H H 1 8.383 0.030 . 1 . . . . 34 HIS H . 10103 1 339 . 1 1 34 34 HIS HA H 1 4.702 0.030 . 1 . . . . 34 HIS HA . 10103 1 340 . 1 1 34 34 HIS HB2 H 1 3.259 0.030 . 2 . . . . 34 HIS HB2 . 10103 1 341 . 1 1 34 34 HIS HB3 H 1 3.129 0.030 . 2 . . . . 34 HIS HB3 . 10103 1 342 . 1 1 34 34 HIS HD2 H 1 7.211 0.030 . 1 . . . . 34 HIS HD2 . 10103 1 343 . 1 1 34 34 HIS HE1 H 1 8.358 0.030 . 1 . . . . 34 HIS HE1 . 10103 1 344 . 1 1 34 34 HIS C C 13 174.648 0.300 . 1 . . . . 34 HIS C . 10103 1 345 . 1 1 34 34 HIS CA C 13 55.545 0.300 . 1 . . . . 34 HIS CA . 10103 1 346 . 1 1 34 34 HIS CB C 13 29.677 0.300 . 1 . . . . 34 HIS CB . 10103 1 347 . 1 1 34 34 HIS CD2 C 13 120.158 0.300 . 1 . . . . 34 HIS CD2 . 10103 1 348 . 1 1 34 34 HIS CE1 C 13 137.143 0.300 . 1 . . . . 34 HIS CE1 . 10103 1 349 . 1 1 34 34 HIS N N 15 118.515 0.300 . 1 . . . . 34 HIS N . 10103 1 350 . 1 1 35 35 ALA H H 1 8.423 0.030 . 1 . . . . 35 ALA H . 10103 1 351 . 1 1 35 35 ALA HA H 1 4.316 0.030 . 1 . . . . 35 ALA HA . 10103 1 352 . 1 1 35 35 ALA HB1 H 1 1.404 0.030 . 1 . . . . 35 ALA HB . 10103 1 353 . 1 1 35 35 ALA HB2 H 1 1.404 0.030 . 1 . . . . 35 ALA HB . 10103 1 354 . 1 1 35 35 ALA HB3 H 1 1.404 0.030 . 1 . . . . 35 ALA HB . 10103 1 355 . 1 1 35 35 ALA C C 13 178.113 0.300 . 1 . . . . 35 ALA C . 10103 1 356 . 1 1 35 35 ALA CA C 13 53.001 0.300 . 1 . . . . 35 ALA CA . 10103 1 357 . 1 1 35 35 ALA CB C 13 18.989 0.300 . 1 . . . . 35 ALA CB . 10103 1 358 . 1 1 35 35 ALA N N 15 124.746 0.300 . 1 . . . . 35 ALA N . 10103 1 359 . 1 1 36 36 GLY H H 1 8.710 0.030 . 1 . . . . 36 GLY H . 10103 1 360 . 1 1 36 36 GLY HA2 H 1 3.902 0.030 . 1 . . . . 36 GLY HA2 . 10103 1 361 . 1 1 36 36 GLY HA3 H 1 3.902 0.030 . 1 . . . . 36 GLY HA3 . 10103 1 362 . 1 1 36 36 GLY C C 13 173.170 0.300 . 1 . . . . 36 GLY C . 10103 1 363 . 1 1 36 36 GLY CA C 13 45.523 0.300 . 1 . . . . 36 GLY CA . 10103 1 364 . 1 1 36 36 GLY N N 15 109.412 0.300 . 1 . . . . 36 GLY N . 10103 1 365 . 1 1 37 37 ASN H H 1 8.458 0.030 . 1 . . . . 37 ASN H . 10103 1 366 . 1 1 37 37 ASN HA H 1 4.781 0.030 . 1 . . . . 37 ASN HA . 10103 1 367 . 1 1 37 37 ASN HB2 H 1 3.029 0.030 . 2 . . . . 37 ASN HB2 . 10103 1 368 . 1 1 37 37 ASN HB3 H 1 2.542 0.030 . 2 . . . . 37 ASN HB3 . 10103 1 369 . 1 1 37 37 ASN HD21 H 1 7.835 0.030 . 2 . . . . 37 ASN HD21 . 10103 1 370 . 1 1 37 37 ASN HD22 H 1 7.016 0.030 . 2 . . . . 37 ASN HD22 . 10103 1 371 . 1 1 37 37 ASN C C 13 174.164 0.300 . 1 . . . . 37 ASN C . 10103 1 372 . 1 1 37 37 ASN CA C 13 50.433 0.300 . 1 . . . . 37 ASN CA . 10103 1 373 . 1 1 37 37 ASN CB C 13 38.959 0.300 . 1 . . . . 37 ASN CB . 10103 1 374 . 1 1 37 37 ASN N N 15 119.345 0.300 . 1 . . . . 37 ASN N . 10103 1 375 . 1 1 37 37 ASN ND2 N 15 112.556 0.300 . 1 . . . . 37 ASN ND2 . 10103 1 376 . 1 1 38 38 PRO HA H 1 4.309 0.030 . 1 . . . . 38 PRO HA . 10103 1 377 . 1 1 38 38 PRO HB2 H 1 2.267 0.030 . 2 . . . . 38 PRO HB2 . 10103 1 378 . 1 1 38 38 PRO HB3 H 1 1.891 0.030 . 2 . . . . 38 PRO HB3 . 10103 1 379 . 1 1 38 38 PRO HG2 H 1 1.896 0.030 . 1 . . . . 38 PRO HG2 . 10103 1 380 . 1 1 38 38 PRO HG3 H 1 1.896 0.030 . 1 . . . . 38 PRO HG3 . 10103 1 381 . 1 1 38 38 PRO HD2 H 1 3.635 0.030 . 2 . . . . 38 PRO HD2 . 10103 1 382 . 1 1 38 38 PRO HD3 H 1 3.463 0.030 . 2 . . . . 38 PRO HD3 . 10103 1 383 . 1 1 38 38 PRO C C 13 177.047 0.300 . 1 . . . . 38 PRO C . 10103 1 384 . 1 1 38 38 PRO CA C 13 63.852 0.300 . 1 . . . . 38 PRO CA . 10103 1 385 . 1 1 38 38 PRO CB C 13 32.132 0.300 . 1 . . . . 38 PRO CB . 10103 1 386 . 1 1 38 38 PRO CG C 13 27.130 0.300 . 1 . . . . 38 PRO CG . 10103 1 387 . 1 1 38 38 PRO CD C 13 50.664 0.300 . 1 . . . . 38 PRO CD . 10103 1 388 . 1 1 39 39 ARG H H 1 8.070 0.030 . 1 . . . . 39 ARG H . 10103 1 389 . 1 1 39 39 ARG HA H 1 4.267 0.030 . 1 . . . . 39 ARG HA . 10103 1 390 . 1 1 39 39 ARG HB2 H 1 1.902 0.030 . 2 . . . . 39 ARG HB2 . 10103 1 391 . 1 1 39 39 ARG HB3 H 1 1.747 0.030 . 2 . . . . 39 ARG HB3 . 10103 1 392 . 1 1 39 39 ARG HG2 H 1 1.643 0.030 . 1 . . . . 39 ARG HG2 . 10103 1 393 . 1 1 39 39 ARG HG3 H 1 1.643 0.030 . 1 . . . . 39 ARG HG3 . 10103 1 394 . 1 1 39 39 ARG HD2 H 1 3.213 0.030 . 1 . . . . 39 ARG HD2 . 10103 1 395 . 1 1 39 39 ARG HD3 H 1 3.213 0.030 . 1 . . . . 39 ARG HD3 . 10103 1 396 . 1 1 39 39 ARG C C 13 176.078 0.300 . 1 . . . . 39 ARG C . 10103 1 397 . 1 1 39 39 ARG CA C 13 56.062 0.300 . 1 . . . . 39 ARG CA . 10103 1 398 . 1 1 39 39 ARG CB C 13 30.543 0.300 . 1 . . . . 39 ARG CB . 10103 1 399 . 1 1 39 39 ARG CD C 13 43.315 0.300 . 1 . . . . 39 ARG CD . 10103 1 400 . 1 1 39 39 ARG N N 15 117.441 0.300 . 1 . . . . 39 ARG N . 10103 1 401 . 1 1 40 40 ASP H H 1 7.768 0.030 . 1 . . . . 40 ASP H . 10103 1 402 . 1 1 40 40 ASP HA H 1 4.929 0.030 . 1 . . . . 40 ASP HA . 10103 1 403 . 1 1 40 40 ASP HB2 H 1 2.808 0.030 . 2 . . . . 40 ASP HB2 . 10103 1 404 . 1 1 40 40 ASP HB3 H 1 2.574 0.030 . 2 . . . . 40 ASP HB3 . 10103 1 405 . 1 1 40 40 ASP C C 13 174.479 0.300 . 1 . . . . 40 ASP C . 10103 1 406 . 1 1 40 40 ASP CA C 13 51.910 0.300 . 1 . . . . 40 ASP CA . 10103 1 407 . 1 1 40 40 ASP CB C 13 41.445 0.300 . 1 . . . . 40 ASP CB . 10103 1 408 . 1 1 40 40 ASP N N 15 119.345 0.300 . 1 . . . . 40 ASP N . 10103 1 409 . 1 1 41 41 PRO HA H 1 4.497 0.030 . 1 . . . . 41 PRO HA . 10103 1 410 . 1 1 41 41 PRO HB2 H 1 2.318 0.030 . 2 . . . . 41 PRO HB2 . 10103 1 411 . 1 1 41 41 PRO HB3 H 1 2.024 0.030 . 2 . . . . 41 PRO HB3 . 10103 1 412 . 1 1 41 41 PRO HG2 H 1 2.029 0.030 . 1 . . . . 41 PRO HG2 . 10103 1 413 . 1 1 41 41 PRO HG3 H 1 2.029 0.030 . 1 . . . . 41 PRO HG3 . 10103 1 414 . 1 1 41 41 PRO HD2 H 1 3.836 0.030 . 2 . . . . 41 PRO HD2 . 10103 1 415 . 1 1 41 41 PRO HD3 H 1 3.764 0.030 . 2 . . . . 41 PRO HD3 . 10103 1 416 . 1 1 41 41 PRO C C 13 177.362 0.300 . 1 . . . . 41 PRO C . 10103 1 417 . 1 1 41 41 PRO CA C 13 63.907 0.300 . 1 . . . . 41 PRO CA . 10103 1 418 . 1 1 41 41 PRO CB C 13 32.259 0.300 . 1 . . . . 41 PRO CB . 10103 1 419 . 1 1 41 41 PRO CG C 13 27.117 0.300 . 1 . . . . 41 PRO CG . 10103 1 420 . 1 1 41 41 PRO CD C 13 50.797 0.300 . 1 . . . . 41 PRO CD . 10103 1 421 . 1 1 42 42 THR H H 1 8.271 0.030 . 1 . . . . 42 THR H . 10103 1 422 . 1 1 42 42 THR HA H 1 4.290 0.030 . 1 . . . . 42 THR HA . 10103 1 423 . 1 1 42 42 THR HB H 1 4.268 0.030 . 1 . . . . 42 THR HB . 10103 1 424 . 1 1 42 42 THR HG21 H 1 1.216 0.030 . 1 . . . . 42 THR HG2 . 10103 1 425 . 1 1 42 42 THR HG22 H 1 1.216 0.030 . 1 . . . . 42 THR HG2 . 10103 1 426 . 1 1 42 42 THR HG23 H 1 1.216 0.030 . 1 . . . . 42 THR HG2 . 10103 1 427 . 1 1 42 42 THR C C 13 174.576 0.300 . 1 . . . . 42 THR C . 10103 1 428 . 1 1 42 42 THR CA C 13 62.641 0.300 . 1 . . . . 42 THR CA . 10103 1 429 . 1 1 42 42 THR CB C 13 69.628 0.300 . 1 . . . . 42 THR CB . 10103 1 430 . 1 1 42 42 THR CG2 C 13 21.777 0.300 . 1 . . . . 42 THR CG2 . 10103 1 431 . 1 1 42 42 THR N N 15 112.106 0.300 . 1 . . . . 42 THR N . 10103 1 432 . 1 1 43 43 ASP H H 1 7.919 0.030 . 1 . . . . 43 ASP H . 10103 1 433 . 1 1 43 43 ASP HA H 1 4.681 0.030 . 1 . . . . 43 ASP HA . 10103 1 434 . 1 1 43 43 ASP HB2 H 1 2.982 0.030 . 2 . . . . 43 ASP HB2 . 10103 1 435 . 1 1 43 43 ASP HB3 H 1 2.702 0.030 . 2 . . . . 43 ASP HB3 . 10103 1 436 . 1 1 43 43 ASP C C 13 176.805 0.300 . 1 . . . . 43 ASP C . 10103 1 437 . 1 1 43 43 ASP CA C 13 54.584 0.300 . 1 . . . . 43 ASP CA . 10103 1 438 . 1 1 43 43 ASP CB C 13 41.703 0.300 . 1 . . . . 43 ASP CB . 10103 1 439 . 1 1 43 43 ASP N N 15 122.665 0.300 . 1 . . . . 43 ASP N . 10103 1 440 . 1 1 44 44 GLU H H 1 8.567 0.030 . 1 . . . . 44 GLU H . 10103 1 441 . 1 1 44 44 GLU HA H 1 4.440 0.030 . 1 . . . . 44 GLU HA . 10103 1 442 . 1 1 44 44 GLU HB2 H 1 2.187 0.030 . 2 . . . . 44 GLU HB2 . 10103 1 443 . 1 1 44 44 GLU HB3 H 1 1.939 0.030 . 2 . . . . 44 GLU HB3 . 10103 1 444 . 1 1 44 44 GLU HG2 H 1 2.419 0.030 . 2 . . . . 44 GLU HG2 . 10103 1 445 . 1 1 44 44 GLU HG3 H 1 2.253 0.030 . 2 . . . . 44 GLU HG3 . 10103 1 446 . 1 1 44 44 GLU C C 13 176.490 0.300 . 1 . . . . 44 GLU C . 10103 1 447 . 1 1 44 44 GLU CA C 13 56.378 0.300 . 1 . . . . 44 GLU CA . 10103 1 448 . 1 1 44 44 GLU CB C 13 30.119 0.300 . 1 . . . . 44 GLU CB . 10103 1 449 . 1 1 44 44 GLU CG C 13 37.148 0.300 . 1 . . . . 44 GLU CG . 10103 1 450 . 1 1 44 44 GLU N N 15 124.377 0.300 . 1 . . . . 44 GLU N . 10103 1 451 . 1 1 45 45 GLY H H 1 8.623 0.030 . 1 . . . . 45 GLY H . 10103 1 452 . 1 1 45 45 GLY HA2 H 1 3.854 0.030 . 2 . . . . 45 GLY HA2 . 10103 1 453 . 1 1 45 45 GLY HA3 H 1 3.510 0.030 . 2 . . . . 45 GLY HA3 . 10103 1 454 . 1 1 45 45 GLY C C 13 171.838 0.300 . 1 . . . . 45 GLY C . 10103 1 455 . 1 1 45 45 GLY CA C 13 45.050 0.300 . 1 . . . . 45 GLY CA . 10103 1 456 . 1 1 45 45 GLY N N 15 107.728 0.300 . 1 . . . . 45 GLY N . 10103 1 457 . 1 1 46 46 ILE H H 1 8.356 0.030 . 1 . . . . 46 ILE H . 10103 1 458 . 1 1 46 46 ILE HA H 1 4.785 0.030 . 1 . . . . 46 ILE HA . 10103 1 459 . 1 1 46 46 ILE HB H 1 1.801 0.030 . 1 . . . . 46 ILE HB . 10103 1 460 . 1 1 46 46 ILE HG12 H 1 1.455 0.030 . 2 . . . . 46 ILE HG12 . 10103 1 461 . 1 1 46 46 ILE HG13 H 1 1.113 0.030 . 2 . . . . 46 ILE HG13 . 10103 1 462 . 1 1 46 46 ILE HG21 H 1 0.731 0.030 . 1 . . . . 46 ILE HG2 . 10103 1 463 . 1 1 46 46 ILE HG22 H 1 0.731 0.030 . 1 . . . . 46 ILE HG2 . 10103 1 464 . 1 1 46 46 ILE HG23 H 1 0.731 0.030 . 1 . . . . 46 ILE HG2 . 10103 1 465 . 1 1 46 46 ILE HD11 H 1 0.698 0.030 . 1 . . . . 46 ILE HD1 . 10103 1 466 . 1 1 46 46 ILE HD12 H 1 0.698 0.030 . 1 . . . . 46 ILE HD1 . 10103 1 467 . 1 1 46 46 ILE HD13 H 1 0.698 0.030 . 1 . . . . 46 ILE HD1 . 10103 1 468 . 1 1 46 46 ILE C C 13 174.309 0.300 . 1 . . . . 46 ILE C . 10103 1 469 . 1 1 46 46 ILE CA C 13 59.263 0.300 . 1 . . . . 46 ILE CA . 10103 1 470 . 1 1 46 46 ILE CB C 13 37.958 0.300 . 1 . . . . 46 ILE CB . 10103 1 471 . 1 1 46 46 ILE CG1 C 13 27.738 0.300 . 1 . . . . 46 ILE CG1 . 10103 1 472 . 1 1 46 46 ILE CG2 C 13 19.388 0.300 . 1 . . . . 46 ILE CG2 . 10103 1 473 . 1 1 46 46 ILE CD1 C 13 12.232 0.300 . 1 . . . . 46 ILE CD1 . 10103 1 474 . 1 1 46 46 ILE N N 15 121.980 0.300 . 1 . . . . 46 ILE N . 10103 1 475 . 1 1 47 47 PHE H H 1 8.846 0.030 . 1 . . . . 47 PHE H . 10103 1 476 . 1 1 47 47 PHE HA H 1 5.525 0.030 . 1 . . . . 47 PHE HA . 10103 1 477 . 1 1 47 47 PHE HB2 H 1 2.737 0.030 . 2 . . . . 47 PHE HB2 . 10103 1 478 . 1 1 47 47 PHE HB3 H 1 2.549 0.030 . 2 . . . . 47 PHE HB3 . 10103 1 479 . 1 1 47 47 PHE HD1 H 1 7.039 0.030 . 1 . . . . 47 PHE HD1 . 10103 1 480 . 1 1 47 47 PHE HD2 H 1 7.039 0.030 . 1 . . . . 47 PHE HD2 . 10103 1 481 . 1 1 47 47 PHE HE1 H 1 7.197 0.030 . 1 . . . . 47 PHE HE1 . 10103 1 482 . 1 1 47 47 PHE HE2 H 1 7.197 0.030 . 1 . . . . 47 PHE HE2 . 10103 1 483 . 1 1 47 47 PHE HZ H 1 7.213 0.030 . 1 . . . . 47 PHE HZ . 10103 1 484 . 1 1 47 47 PHE C C 13 176.369 0.300 . 1 . . . . 47 PHE C . 10103 1 485 . 1 1 47 47 PHE CA C 13 54.961 0.300 . 1 . . . . 47 PHE CA . 10103 1 486 . 1 1 47 47 PHE CB C 13 43.253 0.300 . 1 . . . . 47 PHE CB . 10103 1 487 . 1 1 47 47 PHE CD1 C 13 132.470 0.300 . 1 . . . . 47 PHE CD1 . 10103 1 488 . 1 1 47 47 PHE CD2 C 13 132.470 0.300 . 1 . . . . 47 PHE CD2 . 10103 1 489 . 1 1 47 47 PHE CE1 C 13 130.640 0.300 . 1 . . . . 47 PHE CE1 . 10103 1 490 . 1 1 47 47 PHE CE2 C 13 130.640 0.300 . 1 . . . . 47 PHE CE2 . 10103 1 491 . 1 1 47 47 PHE CZ C 13 129.777 0.300 . 1 . . . . 47 PHE CZ . 10103 1 492 . 1 1 47 47 PHE N N 15 122.902 0.300 . 1 . . . . 47 PHE N . 10103 1 493 . 1 1 48 48 ILE H H 1 8.867 0.030 . 1 . . . . 48 ILE H . 10103 1 494 . 1 1 48 48 ILE HA H 1 4.255 0.030 . 1 . . . . 48 ILE HA . 10103 1 495 . 1 1 48 48 ILE HB H 1 2.152 0.030 . 1 . . . . 48 ILE HB . 10103 1 496 . 1 1 48 48 ILE HG12 H 1 1.706 0.030 . 2 . . . . 48 ILE HG12 . 10103 1 497 . 1 1 48 48 ILE HG13 H 1 1.092 0.030 . 2 . . . . 48 ILE HG13 . 10103 1 498 . 1 1 48 48 ILE HG21 H 1 0.812 0.030 . 1 . . . . 48 ILE HG2 . 10103 1 499 . 1 1 48 48 ILE HG22 H 1 0.812 0.030 . 1 . . . . 48 ILE HG2 . 10103 1 500 . 1 1 48 48 ILE HG23 H 1 0.812 0.030 . 1 . . . . 48 ILE HG2 . 10103 1 501 . 1 1 48 48 ILE HD11 H 1 0.861 0.030 . 1 . . . . 48 ILE HD1 . 10103 1 502 . 1 1 48 48 ILE HD12 H 1 0.861 0.030 . 1 . . . . 48 ILE HD1 . 10103 1 503 . 1 1 48 48 ILE HD13 H 1 0.861 0.030 . 1 . . . . 48 ILE HD1 . 10103 1 504 . 1 1 48 48 ILE C C 13 176.466 0.300 . 1 . . . . 48 ILE C . 10103 1 505 . 1 1 48 48 ILE CA C 13 62.570 0.300 . 1 . . . . 48 ILE CA . 10103 1 506 . 1 1 48 48 ILE CB C 13 37.148 0.300 . 1 . . . . 48 ILE CB . 10103 1 507 . 1 1 48 48 ILE CG1 C 13 27.890 0.300 . 1 . . . . 48 ILE CG1 . 10103 1 508 . 1 1 48 48 ILE CG2 C 13 18.339 0.300 . 1 . . . . 48 ILE CG2 . 10103 1 509 . 1 1 48 48 ILE CD1 C 13 13.696 0.300 . 1 . . . . 48 ILE CD1 . 10103 1 510 . 1 1 48 48 ILE N N 15 120.083 0.300 . 1 . . . . 48 ILE N . 10103 1 511 . 1 1 49 49 SER H H 1 9.662 0.030 . 1 . . . . 49 SER H . 10103 1 512 . 1 1 49 49 SER HA H 1 4.711 0.030 . 1 . . . . 49 SER HA . 10103 1 513 . 1 1 49 49 SER HB2 H 1 4.002 0.030 . 2 . . . . 49 SER HB2 . 10103 1 514 . 1 1 49 49 SER HB3 H 1 3.405 0.030 . 2 . . . . 49 SER HB3 . 10103 1 515 . 1 1 49 49 SER C C 13 174.430 0.300 . 1 . . . . 49 SER C . 10103 1 516 . 1 1 49 49 SER CA C 13 58.700 0.300 . 1 . . . . 49 SER CA . 10103 1 517 . 1 1 49 49 SER CB C 13 64.987 0.300 . 1 . . . . 49 SER CB . 10103 1 518 . 1 1 49 49 SER N N 15 126.633 0.300 . 1 . . . . 49 SER N . 10103 1 519 . 1 1 50 50 LYS H H 1 7.447 0.030 . 1 . . . . 50 LYS H . 10103 1 520 . 1 1 50 50 LYS HA H 1 4.305 0.030 . 1 . . . . 50 LYS HA . 10103 1 521 . 1 1 50 50 LYS HB2 H 1 1.797 0.030 . 2 . . . . 50 LYS HB2 . 10103 1 522 . 1 1 50 50 LYS HB3 H 1 1.629 0.030 . 2 . . . . 50 LYS HB3 . 10103 1 523 . 1 1 50 50 LYS HG2 H 1 1.424 0.030 . 2 . . . . 50 LYS HG2 . 10103 1 524 . 1 1 50 50 LYS HG3 H 1 1.278 0.030 . 2 . . . . 50 LYS HG3 . 10103 1 525 . 1 1 50 50 LYS HD2 H 1 1.659 0.030 . 1 . . . . 50 LYS HD2 . 10103 1 526 . 1 1 50 50 LYS HD3 H 1 1.659 0.030 . 1 . . . . 50 LYS HD3 . 10103 1 527 . 1 1 50 50 LYS HE2 H 1 2.956 0.030 . 1 . . . . 50 LYS HE2 . 10103 1 528 . 1 1 50 50 LYS HE3 H 1 2.956 0.030 . 1 . . . . 50 LYS HE3 . 10103 1 529 . 1 1 50 50 LYS C C 13 174.043 0.300 . 1 . . . . 50 LYS C . 10103 1 530 . 1 1 50 50 LYS CA C 13 57.356 0.300 . 1 . . . . 50 LYS CA . 10103 1 531 . 1 1 50 50 LYS CB C 13 36.433 0.300 . 1 . . . . 50 LYS CB . 10103 1 532 . 1 1 50 50 LYS CG C 13 25.170 0.300 . 1 . . . . 50 LYS CG . 10103 1 533 . 1 1 50 50 LYS CD C 13 29.337 0.300 . 1 . . . . 50 LYS CD . 10103 1 534 . 1 1 50 50 LYS CE C 13 42.062 0.300 . 1 . . . . 50 LYS CE . 10103 1 535 . 1 1 50 50 LYS N N 15 122.223 0.300 . 1 . . . . 50 LYS N . 10103 1 536 . 1 1 51 51 VAL H H 1 8.636 0.030 . 1 . . . . 51 VAL H . 10103 1 537 . 1 1 51 51 VAL HA H 1 4.459 0.030 . 1 . . . . 51 VAL HA . 10103 1 538 . 1 1 51 51 VAL HB H 1 1.922 0.030 . 1 . . . . 51 VAL HB . 10103 1 539 . 1 1 51 51 VAL HG11 H 1 0.642 0.030 . 1 . . . . 51 VAL HG1 . 10103 1 540 . 1 1 51 51 VAL HG12 H 1 0.642 0.030 . 1 . . . . 51 VAL HG1 . 10103 1 541 . 1 1 51 51 VAL HG13 H 1 0.642 0.030 . 1 . . . . 51 VAL HG1 . 10103 1 542 . 1 1 51 51 VAL HG21 H 1 0.695 0.030 . 1 . . . . 51 VAL HG2 . 10103 1 543 . 1 1 51 51 VAL HG22 H 1 0.695 0.030 . 1 . . . . 51 VAL HG2 . 10103 1 544 . 1 1 51 51 VAL HG23 H 1 0.695 0.030 . 1 . . . . 51 VAL HG2 . 10103 1 545 . 1 1 51 51 VAL C C 13 175.593 0.300 . 1 . . . . 51 VAL C . 10103 1 546 . 1 1 51 51 VAL CA C 13 61.154 0.300 . 1 . . . . 51 VAL CA . 10103 1 547 . 1 1 51 51 VAL CB C 13 33.935 0.300 . 1 . . . . 51 VAL CB . 10103 1 548 . 1 1 51 51 VAL CG1 C 13 21.017 0.300 . 2 . . . . 51 VAL CG1 . 10103 1 549 . 1 1 51 51 VAL CG2 C 13 21.146 0.300 . 2 . . . . 51 VAL CG2 . 10103 1 550 . 1 1 51 51 VAL N N 15 124.028 0.300 . 1 . . . . 51 VAL N . 10103 1 551 . 1 1 52 52 SER H H 1 8.728 0.030 . 1 . . . . 52 SER H . 10103 1 552 . 1 1 52 52 SER HA H 1 4.760 0.030 . 1 . . . . 52 SER HA . 10103 1 553 . 1 1 52 52 SER HB2 H 1 4.019 0.030 . 2 . . . . 52 SER HB2 . 10103 1 554 . 1 1 52 52 SER HB3 H 1 3.868 0.030 . 2 . . . . 52 SER HB3 . 10103 1 555 . 1 1 52 52 SER C C 13 175.472 0.300 . 1 . . . . 52 SER C . 10103 1 556 . 1 1 52 52 SER CA C 13 56.132 0.300 . 1 . . . . 52 SER CA . 10103 1 557 . 1 1 52 52 SER CB C 13 63.161 0.300 . 1 . . . . 52 SER CB . 10103 1 558 . 1 1 52 52 SER N N 15 123.290 0.300 . 1 . . . . 52 SER N . 10103 1 559 . 1 1 53 53 PRO HA H 1 4.465 0.030 . 1 . . . . 53 PRO HA . 10103 1 560 . 1 1 53 53 PRO HB2 H 1 2.462 0.030 . 2 . . . . 53 PRO HB2 . 10103 1 561 . 1 1 53 53 PRO HB3 H 1 2.048 0.030 . 2 . . . . 53 PRO HB3 . 10103 1 562 . 1 1 53 53 PRO HG2 H 1 2.158 0.030 . 1 . . . . 53 PRO HG2 . 10103 1 563 . 1 1 53 53 PRO HG3 H 1 2.158 0.030 . 1 . . . . 53 PRO HG3 . 10103 1 564 . 1 1 53 53 PRO HD2 H 1 4.067 0.030 . 2 . . . . 53 PRO HD2 . 10103 1 565 . 1 1 53 53 PRO HD3 H 1 3.999 0.030 . 2 . . . . 53 PRO HD3 . 10103 1 566 . 1 1 53 53 PRO C C 13 177.459 0.300 . 1 . . . . 53 PRO C . 10103 1 567 . 1 1 53 53 PRO CA C 13 64.969 0.300 . 1 . . . . 53 PRO CA . 10103 1 568 . 1 1 53 53 PRO CB C 13 32.504 0.300 . 1 . . . . 53 PRO CB . 10103 1 569 . 1 1 53 53 PRO CG C 13 27.570 0.300 . 1 . . . . 53 PRO CG . 10103 1 570 . 1 1 53 53 PRO CD C 13 51.123 0.300 . 1 . . . . 53 PRO CD . 10103 1 571 . 1 1 54 54 THR H H 1 7.486 0.030 . 1 . . . . 54 THR H . 10103 1 572 . 1 1 54 54 THR HA H 1 4.460 0.030 . 1 . . . . 54 THR HA . 10103 1 573 . 1 1 54 54 THR HB H 1 4.535 0.030 . 1 . . . . 54 THR HB . 10103 1 574 . 1 1 54 54 THR HG21 H 1 1.182 0.030 . 1 . . . . 54 THR HG2 . 10103 1 575 . 1 1 54 54 THR HG22 H 1 1.182 0.030 . 1 . . . . 54 THR HG2 . 10103 1 576 . 1 1 54 54 THR HG23 H 1 1.182 0.030 . 1 . . . . 54 THR HG2 . 10103 1 577 . 1 1 54 54 THR C C 13 175.399 0.300 . 1 . . . . 54 THR C . 10103 1 578 . 1 1 54 54 THR CA C 13 60.882 0.300 . 1 . . . . 54 THR CA . 10103 1 579 . 1 1 54 54 THR CB C 13 69.133 0.300 . 1 . . . . 54 THR CB . 10103 1 580 . 1 1 54 54 THR CG2 C 13 21.772 0.300 . 1 . . . . 54 THR CG2 . 10103 1 581 . 1 1 54 54 THR N N 15 103.780 0.300 . 1 . . . . 54 THR N . 10103 1 582 . 1 1 55 55 GLY H H 1 7.157 0.030 . 1 . . . . 55 GLY H . 10103 1 583 . 1 1 55 55 GLY HA2 H 1 4.448 0.030 . 2 . . . . 55 GLY HA2 . 10103 1 584 . 1 1 55 55 GLY HA3 H 1 3.758 0.030 . 2 . . . . 55 GLY HA3 . 10103 1 585 . 1 1 55 55 GLY C C 13 173.655 0.300 . 1 . . . . 55 GLY C . 10103 1 586 . 1 1 55 55 GLY CA C 13 44.698 0.300 . 1 . . . . 55 GLY CA . 10103 1 587 . 1 1 55 55 GLY N N 15 109.572 0.300 . 1 . . . . 55 GLY N . 10103 1 588 . 1 1 56 56 ALA H H 1 8.826 0.030 . 1 . . . . 56 ALA H . 10103 1 589 . 1 1 56 56 ALA HA H 1 4.098 0.030 . 1 . . . . 56 ALA HA . 10103 1 590 . 1 1 56 56 ALA HB1 H 1 1.422 0.030 . 1 . . . . 56 ALA HB . 10103 1 591 . 1 1 56 56 ALA HB2 H 1 1.422 0.030 . 1 . . . . 56 ALA HB . 10103 1 592 . 1 1 56 56 ALA HB3 H 1 1.422 0.030 . 1 . . . . 56 ALA HB . 10103 1 593 . 1 1 56 56 ALA C C 13 180.754 0.300 . 1 . . . . 56 ALA C . 10103 1 594 . 1 1 56 56 ALA CA C 13 55.197 0.300 . 1 . . . . 56 ALA CA . 10103 1 595 . 1 1 56 56 ALA CB C 13 19.955 0.300 . 1 . . . . 56 ALA CB . 10103 1 596 . 1 1 56 56 ALA N N 15 120.320 0.300 . 1 . . . . 56 ALA N . 10103 1 597 . 1 1 57 57 ALA H H 1 8.495 0.030 . 1 . . . . 57 ALA H . 10103 1 598 . 1 1 57 57 ALA HA H 1 4.103 0.030 . 1 . . . . 57 ALA HA . 10103 1 599 . 1 1 57 57 ALA HB1 H 1 1.362 0.030 . 1 . . . . 57 ALA HB . 10103 1 600 . 1 1 57 57 ALA HB2 H 1 1.362 0.030 . 1 . . . . 57 ALA HB . 10103 1 601 . 1 1 57 57 ALA HB3 H 1 1.362 0.030 . 1 . . . . 57 ALA HB . 10103 1 602 . 1 1 57 57 ALA C C 13 180.730 0.300 . 1 . . . . 57 ALA C . 10103 1 603 . 1 1 57 57 ALA CA C 13 54.936 0.300 . 1 . . . . 57 ALA CA . 10103 1 604 . 1 1 57 57 ALA CB C 13 19.388 0.300 . 1 . . . . 57 ALA CB . 10103 1 605 . 1 1 57 57 ALA N N 15 117.777 0.300 . 1 . . . . 57 ALA N . 10103 1 606 . 1 1 58 58 GLY H H 1 9.244 0.030 . 1 . . . . 58 GLY H . 10103 1 607 . 1 1 58 58 GLY HA2 H 1 3.980 0.030 . 2 . . . . 58 GLY HA2 . 10103 1 608 . 1 1 58 58 GLY HA3 H 1 3.666 0.030 . 2 . . . . 58 GLY HA3 . 10103 1 609 . 1 1 58 58 GLY C C 13 175.521 0.300 . 1 . . . . 58 GLY C . 10103 1 610 . 1 1 58 58 GLY CA C 13 46.668 0.300 . 1 . . . . 58 GLY CA . 10103 1 611 . 1 1 58 58 GLY N N 15 112.891 0.300 . 1 . . . . 58 GLY N . 10103 1 612 . 1 1 59 59 ARG H H 1 8.127 0.030 . 1 . . . . 59 ARG H . 10103 1 613 . 1 1 59 59 ARG HA H 1 4.080 0.030 . 1 . . . . 59 ARG HA . 10103 1 614 . 1 1 59 59 ARG HB2 H 1 1.907 0.030 . 2 . . . . 59 ARG HB2 . 10103 1 615 . 1 1 59 59 ARG HB3 H 1 1.844 0.030 . 2 . . . . 59 ARG HB3 . 10103 1 616 . 1 1 59 59 ARG HG2 H 1 1.710 0.030 . 2 . . . . 59 ARG HG2 . 10103 1 617 . 1 1 59 59 ARG HG3 H 1 1.603 0.030 . 2 . . . . 59 ARG HG3 . 10103 1 618 . 1 1 59 59 ARG HD2 H 1 3.288 0.030 . 2 . . . . 59 ARG HD2 . 10103 1 619 . 1 1 59 59 ARG HD3 H 1 3.150 0.030 . 2 . . . . 59 ARG HD3 . 10103 1 620 . 1 1 59 59 ARG HE H 1 8.383 0.030 . 1 . . . . 59 ARG HE . 10103 1 621 . 1 1 59 59 ARG C C 13 178.234 0.300 . 1 . . . . 59 ARG C . 10103 1 622 . 1 1 59 59 ARG CA C 13 59.087 0.300 . 1 . . . . 59 ARG CA . 10103 1 623 . 1 1 59 59 ARG CB C 13 30.007 0.300 . 1 . . . . 59 ARG CB . 10103 1 624 . 1 1 59 59 ARG CG C 13 27.281 0.300 . 1 . . . . 59 ARG CG . 10103 1 625 . 1 1 59 59 ARG CD C 13 43.068 0.300 . 1 . . . . 59 ARG CD . 10103 1 626 . 1 1 59 59 ARG N N 15 121.827 0.300 . 1 . . . . 59 ARG N . 10103 1 627 . 1 1 59 59 ARG NE N 15 83.449 0.300 . 1 . . . . 59 ARG NE . 10103 1 628 . 1 1 60 60 ASP H H 1 7.745 0.030 . 1 . . . . 60 ASP H . 10103 1 629 . 1 1 60 60 ASP HA H 1 4.380 0.030 . 1 . . . . 60 ASP HA . 10103 1 630 . 1 1 60 60 ASP HB2 H 1 2.873 0.030 . 2 . . . . 60 ASP HB2 . 10103 1 631 . 1 1 60 60 ASP HB3 H 1 2.755 0.030 . 2 . . . . 60 ASP HB3 . 10103 1 632 . 1 1 60 60 ASP C C 13 177.943 0.300 . 1 . . . . 60 ASP C . 10103 1 633 . 1 1 60 60 ASP CA C 13 57.328 0.300 . 1 . . . . 60 ASP CA . 10103 1 634 . 1 1 60 60 ASP CB C 13 43.586 0.300 . 1 . . . . 60 ASP CB . 10103 1 635 . 1 1 60 60 ASP N N 15 118.687 0.300 . 1 . . . . 60 ASP N . 10103 1 636 . 1 1 61 61 GLY H H 1 7.578 0.030 . 1 . . . . 61 GLY H . 10103 1 637 . 1 1 61 61 GLY HA2 H 1 4.122 0.030 . 2 . . . . 61 GLY HA2 . 10103 1 638 . 1 1 61 61 GLY HA3 H 1 3.902 0.030 . 2 . . . . 61 GLY HA3 . 10103 1 639 . 1 1 61 61 GLY C C 13 175.181 0.300 . 1 . . . . 61 GLY C . 10103 1 640 . 1 1 61 61 GLY CA C 13 46.422 0.300 . 1 . . . . 61 GLY CA . 10103 1 641 . 1 1 61 61 GLY N N 15 102.637 0.300 . 1 . . . . 61 GLY N . 10103 1 642 . 1 1 62 62 ARG H H 1 7.978 0.030 . 1 . . . . 62 ARG H . 10103 1 643 . 1 1 62 62 ARG HA H 1 4.337 0.030 . 1 . . . . 62 ARG HA . 10103 1 644 . 1 1 62 62 ARG HB2 H 1 1.895 0.030 . 2 . . . . 62 ARG HB2 . 10103 1 645 . 1 1 62 62 ARG HB3 H 1 1.734 0.030 . 2 . . . . 62 ARG HB3 . 10103 1 646 . 1 1 62 62 ARG HG2 H 1 1.710 0.030 . 1 . . . . 62 ARG HG2 . 10103 1 647 . 1 1 62 62 ARG HG3 H 1 1.710 0.030 . 1 . . . . 62 ARG HG3 . 10103 1 648 . 1 1 62 62 ARG HD2 H 1 3.351 0.030 . 2 . . . . 62 ARG HD2 . 10103 1 649 . 1 1 62 62 ARG HD3 H 1 3.033 0.030 . 2 . . . . 62 ARG HD3 . 10103 1 650 . 1 1 62 62 ARG HE H 1 8.830 0.030 . 1 . . . . 62 ARG HE . 10103 1 651 . 1 1 62 62 ARG C C 13 177.604 0.300 . 1 . . . . 62 ARG C . 10103 1 652 . 1 1 62 62 ARG CA C 13 58.093 0.300 . 1 . . . . 62 ARG CA . 10103 1 653 . 1 1 62 62 ARG CB C 13 32.215 0.300 . 1 . . . . 62 ARG CB . 10103 1 654 . 1 1 62 62 ARG CG C 13 26.842 0.300 . 1 . . . . 62 ARG CG . 10103 1 655 . 1 1 62 62 ARG CD C 13 43.479 0.300 . 1 . . . . 62 ARG CD . 10103 1 656 . 1 1 62 62 ARG N N 15 119.161 0.300 . 1 . . . . 62 ARG N . 10103 1 657 . 1 1 62 62 ARG NE N 15 85.205 0.300 . 1 . . . . 62 ARG NE . 10103 1 658 . 1 1 63 63 LEU H H 1 9.130 0.030 . 1 . . . . 63 LEU H . 10103 1 659 . 1 1 63 63 LEU HA H 1 4.099 0.030 . 1 . . . . 63 LEU HA . 10103 1 660 . 1 1 63 63 LEU HB2 H 1 1.691 0.030 . 2 . . . . 63 LEU HB2 . 10103 1 661 . 1 1 63 63 LEU HB3 H 1 1.083 0.030 . 2 . . . . 63 LEU HB3 . 10103 1 662 . 1 1 63 63 LEU HG H 1 1.707 0.030 . 1 . . . . 63 LEU HG . 10103 1 663 . 1 1 63 63 LEU HD11 H 1 0.766 0.030 . 1 . . . . 63 LEU HD1 . 10103 1 664 . 1 1 63 63 LEU HD12 H 1 0.766 0.030 . 1 . . . . 63 LEU HD1 . 10103 1 665 . 1 1 63 63 LEU HD13 H 1 0.766 0.030 . 1 . . . . 63 LEU HD1 . 10103 1 666 . 1 1 63 63 LEU HD21 H 1 0.733 0.030 . 1 . . . . 63 LEU HD2 . 10103 1 667 . 1 1 63 63 LEU HD22 H 1 0.733 0.030 . 1 . . . . 63 LEU HD2 . 10103 1 668 . 1 1 63 63 LEU HD23 H 1 0.733 0.030 . 1 . . . . 63 LEU HD2 . 10103 1 669 . 1 1 63 63 LEU C C 13 174.721 0.300 . 1 . . . . 63 LEU C . 10103 1 670 . 1 1 63 63 LEU CA C 13 54.901 0.300 . 1 . . . . 63 LEU CA . 10103 1 671 . 1 1 63 63 LEU CB C 13 42.657 0.300 . 1 . . . . 63 LEU CB . 10103 1 672 . 1 1 63 63 LEU CG C 13 26.635 0.300 . 1 . . . . 63 LEU CG . 10103 1 673 . 1 1 63 63 LEU CD1 C 13 25.713 0.300 . 2 . . . . 63 LEU CD1 . 10103 1 674 . 1 1 63 63 LEU CD2 C 13 24.878 0.300 . 2 . . . . 63 LEU CD2 . 10103 1 675 . 1 1 63 63 LEU N N 15 119.418 0.300 . 1 . . . . 63 LEU N . 10103 1 676 . 1 1 64 64 ARG H H 1 6.323 0.030 . 1 . . . . 64 ARG H . 10103 1 677 . 1 1 64 64 ARG HA H 1 4.657 0.030 . 1 . . . . 64 ARG HA . 10103 1 678 . 1 1 64 64 ARG HB2 H 1 1.895 0.030 . 2 . . . . 64 ARG HB2 . 10103 1 679 . 1 1 64 64 ARG HB3 H 1 1.637 0.030 . 2 . . . . 64 ARG HB3 . 10103 1 680 . 1 1 64 64 ARG HG2 H 1 1.524 0.030 . 2 . . . . 64 ARG HG2 . 10103 1 681 . 1 1 64 64 ARG HG3 H 1 1.483 0.030 . 2 . . . . 64 ARG HG3 . 10103 1 682 . 1 1 64 64 ARG HD2 H 1 3.181 0.030 . 1 . . . . 64 ARG HD2 . 10103 1 683 . 1 1 64 64 ARG HD3 H 1 3.181 0.030 . 1 . . . . 64 ARG HD3 . 10103 1 684 . 1 1 64 64 ARG C C 13 174.551 0.300 . 1 . . . . 64 ARG C . 10103 1 685 . 1 1 64 64 ARG CA C 13 53.564 0.300 . 1 . . . . 64 ARG CA . 10103 1 686 . 1 1 64 64 ARG CB C 13 33.530 0.300 . 1 . . . . 64 ARG CB . 10103 1 687 . 1 1 64 64 ARG CG C 13 26.210 0.300 . 1 . . . . 64 ARG CG . 10103 1 688 . 1 1 64 64 ARG CD C 13 43.315 0.300 . 1 . . . . 64 ARG CD . 10103 1 689 . 1 1 64 64 ARG N N 15 115.289 0.300 . 1 . . . . 64 ARG N . 10103 1 690 . 1 1 65 65 VAL H H 1 8.356 0.030 . 1 . . . . 65 VAL H . 10103 1 691 . 1 1 65 65 VAL HA H 1 3.297 0.030 . 1 . . . . 65 VAL HA . 10103 1 692 . 1 1 65 65 VAL HB H 1 1.920 0.030 . 1 . . . . 65 VAL HB . 10103 1 693 . 1 1 65 65 VAL HG11 H 1 0.972 0.030 . 1 . . . . 65 VAL HG1 . 10103 1 694 . 1 1 65 65 VAL HG12 H 1 0.972 0.030 . 1 . . . . 65 VAL HG1 . 10103 1 695 . 1 1 65 65 VAL HG13 H 1 0.972 0.030 . 1 . . . . 65 VAL HG1 . 10103 1 696 . 1 1 65 65 VAL HG21 H 1 0.952 0.030 . 1 . . . . 65 VAL HG2 . 10103 1 697 . 1 1 65 65 VAL HG22 H 1 0.952 0.030 . 1 . . . . 65 VAL HG2 . 10103 1 698 . 1 1 65 65 VAL HG23 H 1 0.952 0.030 . 1 . . . . 65 VAL HG2 . 10103 1 699 . 1 1 65 65 VAL C C 13 177.023 0.300 . 1 . . . . 65 VAL C . 10103 1 700 . 1 1 65 65 VAL CA C 13 64.713 0.300 . 1 . . . . 65 VAL CA . 10103 1 701 . 1 1 65 65 VAL CB C 13 31.834 0.300 . 1 . . . . 65 VAL CB . 10103 1 702 . 1 1 65 65 VAL CG1 C 13 22.853 0.300 . 2 . . . . 65 VAL CG1 . 10103 1 703 . 1 1 65 65 VAL CG2 C 13 21.325 0.300 . 2 . . . . 65 VAL CG2 . 10103 1 704 . 1 1 65 65 VAL N N 15 119.249 0.300 . 1 . . . . 65 VAL N . 10103 1 705 . 1 1 66 66 GLY H H 1 8.972 0.030 . 1 . . . . 66 GLY H . 10103 1 706 . 1 1 66 66 GLY HA2 H 1 4.378 0.030 . 2 . . . . 66 GLY HA2 . 10103 1 707 . 1 1 66 66 GLY HA3 H 1 3.229 0.030 . 2 . . . . 66 GLY HA3 . 10103 1 708 . 1 1 66 66 GLY C C 13 174.479 0.300 . 1 . . . . 66 GLY C . 10103 1 709 . 1 1 66 66 GLY CA C 13 44.382 0.300 . 1 . . . . 66 GLY CA . 10103 1 710 . 1 1 66 66 GLY N N 15 114.367 0.300 . 1 . . . . 66 GLY N . 10103 1 711 . 1 1 67 67 LEU H H 1 7.006 0.030 . 1 . . . . 67 LEU H . 10103 1 712 . 1 1 67 67 LEU HA H 1 4.458 0.030 . 1 . . . . 67 LEU HA . 10103 1 713 . 1 1 67 67 LEU HB2 H 1 1.690 0.030 . 2 . . . . 67 LEU HB2 . 10103 1 714 . 1 1 67 67 LEU HB3 H 1 1.462 0.030 . 2 . . . . 67 LEU HB3 . 10103 1 715 . 1 1 67 67 LEU HG H 1 1.894 0.030 . 1 . . . . 67 LEU HG . 10103 1 716 . 1 1 67 67 LEU HD11 H 1 0.899 0.030 . 1 . . . . 67 LEU HD1 . 10103 1 717 . 1 1 67 67 LEU HD12 H 1 0.899 0.030 . 1 . . . . 67 LEU HD1 . 10103 1 718 . 1 1 67 67 LEU HD13 H 1 0.899 0.030 . 1 . . . . 67 LEU HD1 . 10103 1 719 . 1 1 67 67 LEU HD21 H 1 1.045 0.030 . 1 . . . . 67 LEU HD2 . 10103 1 720 . 1 1 67 67 LEU HD22 H 1 1.045 0.030 . 1 . . . . 67 LEU HD2 . 10103 1 721 . 1 1 67 67 LEU HD23 H 1 1.045 0.030 . 1 . . . . 67 LEU HD2 . 10103 1 722 . 1 1 67 67 LEU C C 13 176.054 0.300 . 1 . . . . 67 LEU C . 10103 1 723 . 1 1 67 67 LEU CA C 13 55.323 0.300 . 1 . . . . 67 LEU CA . 10103 1 724 . 1 1 67 67 LEU CB C 13 42.705 0.300 . 1 . . . . 67 LEU CB . 10103 1 725 . 1 1 67 67 LEU CG C 13 26.381 0.300 . 1 . . . . 67 LEU CG . 10103 1 726 . 1 1 67 67 LEU CD1 C 13 22.347 0.300 . 2 . . . . 67 LEU CD1 . 10103 1 727 . 1 1 67 67 LEU CD2 C 13 27.434 0.300 . 2 . . . . 67 LEU CD2 . 10103 1 728 . 1 1 67 67 LEU N N 15 116.764 0.300 . 1 . . . . 67 LEU N . 10103 1 729 . 1 1 68 68 ARG H H 1 8.623 0.030 . 1 . . . . 68 ARG H . 10103 1 730 . 1 1 68 68 ARG HA H 1 4.321 0.030 . 1 . . . . 68 ARG HA . 10103 1 731 . 1 1 68 68 ARG HB2 H 1 1.937 0.030 . 2 . . . . 68 ARG HB2 . 10103 1 732 . 1 1 68 68 ARG HB3 H 1 1.439 0.030 . 2 . . . . 68 ARG HB3 . 10103 1 733 . 1 1 68 68 ARG HG2 H 1 0.956 0.030 . 2 . . . . 68 ARG HG2 . 10103 1 734 . 1 1 68 68 ARG HG3 H 1 0.903 0.030 . 2 . . . . 68 ARG HG3 . 10103 1 735 . 1 1 68 68 ARG HD2 H 1 2.996 0.030 . 2 . . . . 68 ARG HD2 . 10103 1 736 . 1 1 68 68 ARG HD3 H 1 2.822 0.030 . 2 . . . . 68 ARG HD3 . 10103 1 737 . 1 1 68 68 ARG HE H 1 7.457 0.030 . 1 . . . . 68 ARG HE . 10103 1 738 . 1 1 68 68 ARG C C 13 175.036 0.300 . 1 . . . . 68 ARG C . 10103 1 739 . 1 1 68 68 ARG CA C 13 55.289 0.300 . 1 . . . . 68 ARG CA . 10103 1 740 . 1 1 68 68 ARG CB C 13 32.057 0.300 . 1 . . . . 68 ARG CB . 10103 1 741 . 1 1 68 68 ARG CG C 13 27.382 0.300 . 1 . . . . 68 ARG CG . 10103 1 742 . 1 1 68 68 ARG CD C 13 43.644 0.300 . 1 . . . . 68 ARG CD . 10103 1 743 . 1 1 68 68 ARG N N 15 122.480 0.300 . 1 . . . . 68 ARG N . 10103 1 744 . 1 1 68 68 ARG NE N 15 83.833 0.300 . 1 . . . . 68 ARG NE . 10103 1 745 . 1 1 69 69 LEU H H 1 8.516 0.030 . 1 . . . . 69 LEU H . 10103 1 746 . 1 1 69 69 LEU HA H 1 4.603 0.030 . 1 . . . . 69 LEU HA . 10103 1 747 . 1 1 69 69 LEU HB2 H 1 1.361 0.030 . 2 . . . . 69 LEU HB2 . 10103 1 748 . 1 1 69 69 LEU HB3 H 1 1.102 0.030 . 2 . . . . 69 LEU HB3 . 10103 1 749 . 1 1 69 69 LEU HG H 1 1.362 0.030 . 1 . . . . 69 LEU HG . 10103 1 750 . 1 1 69 69 LEU HD11 H 1 0.615 0.030 . 1 . . . . 69 LEU HD1 . 10103 1 751 . 1 1 69 69 LEU HD12 H 1 0.615 0.030 . 1 . . . . 69 LEU HD1 . 10103 1 752 . 1 1 69 69 LEU HD13 H 1 0.615 0.030 . 1 . . . . 69 LEU HD1 . 10103 1 753 . 1 1 69 69 LEU HD21 H 1 0.727 0.030 . 1 . . . . 69 LEU HD2 . 10103 1 754 . 1 1 69 69 LEU HD22 H 1 0.727 0.030 . 1 . . . . 69 LEU HD2 . 10103 1 755 . 1 1 69 69 LEU HD23 H 1 0.727 0.030 . 1 . . . . 69 LEU HD2 . 10103 1 756 . 1 1 69 69 LEU C C 13 174.745 0.300 . 1 . . . . 69 LEU C . 10103 1 757 . 1 1 69 69 LEU CA C 13 53.714 0.300 . 1 . . . . 69 LEU CA . 10103 1 758 . 1 1 69 69 LEU CB C 13 43.973 0.300 . 1 . . . . 69 LEU CB . 10103 1 759 . 1 1 69 69 LEU CG C 13 26.969 0.300 . 1 . . . . 69 LEU CG . 10103 1 760 . 1 1 69 69 LEU CD1 C 13 25.162 0.300 . 2 . . . . 69 LEU CD1 . 10103 1 761 . 1 1 69 69 LEU CD2 C 13 24.863 0.300 . 2 . . . . 69 LEU CD2 . 10103 1 762 . 1 1 69 69 LEU N N 15 126.633 0.300 . 1 . . . . 69 LEU N . 10103 1 763 . 1 1 70 70 LEU H H 1 8.914 0.030 . 1 . . . . 70 LEU H . 10103 1 764 . 1 1 70 70 LEU HA H 1 4.526 0.030 . 1 . . . . 70 LEU HA . 10103 1 765 . 1 1 70 70 LEU HB2 H 1 1.541 0.030 . 2 . . . . 70 LEU HB2 . 10103 1 766 . 1 1 70 70 LEU HB3 H 1 1.488 0.030 . 2 . . . . 70 LEU HB3 . 10103 1 767 . 1 1 70 70 LEU HD11 H 1 0.697 0.030 . 1 . . . . 70 LEU HD1 . 10103 1 768 . 1 1 70 70 LEU HD12 H 1 0.697 0.030 . 1 . . . . 70 LEU HD1 . 10103 1 769 . 1 1 70 70 LEU HD13 H 1 0.697 0.030 . 1 . . . . 70 LEU HD1 . 10103 1 770 . 1 1 70 70 LEU HD21 H 1 0.770 0.030 . 1 . . . . 70 LEU HD2 . 10103 1 771 . 1 1 70 70 LEU HD22 H 1 0.770 0.030 . 1 . . . . 70 LEU HD2 . 10103 1 772 . 1 1 70 70 LEU HD23 H 1 0.770 0.030 . 1 . . . . 70 LEU HD2 . 10103 1 773 . 1 1 70 70 LEU C C 13 178.137 0.300 . 1 . . . . 70 LEU C . 10103 1 774 . 1 1 70 70 LEU CA C 13 56.167 0.300 . 1 . . . . 70 LEU CA . 10103 1 775 . 1 1 70 70 LEU CB C 13 44.118 0.300 . 1 . . . . 70 LEU CB . 10103 1 776 . 1 1 70 70 LEU CD1 C 13 26.125 0.300 . 2 . . . . 70 LEU CD1 . 10103 1 777 . 1 1 70 70 LEU CD2 C 13 23.006 0.300 . 2 . . . . 70 LEU CD2 . 10103 1 778 . 1 1 70 70 LEU N N 15 123.266 0.300 . 1 . . . . 70 LEU N . 10103 1 779 . 1 1 71 71 GLU H H 1 7.510 0.030 . 1 . . . . 71 GLU H . 10103 1 780 . 1 1 71 71 GLU HA H 1 5.112 0.030 . 1 . . . . 71 GLU HA . 10103 1 781 . 1 1 71 71 GLU HB2 H 1 1.873 0.030 . 2 . . . . 71 GLU HB2 . 10103 1 782 . 1 1 71 71 GLU HB3 H 1 1.569 0.030 . 2 . . . . 71 GLU HB3 . 10103 1 783 . 1 1 71 71 GLU HG2 H 1 2.010 0.030 . 1 . . . . 71 GLU HG2 . 10103 1 784 . 1 1 71 71 GLU HG3 H 1 2.010 0.030 . 1 . . . . 71 GLU HG3 . 10103 1 785 . 1 1 71 71 GLU C C 13 175.315 0.300 . 1 . . . . 71 GLU C . 10103 1 786 . 1 1 71 71 GLU CA C 13 55.253 0.300 . 1 . . . . 71 GLU CA . 10103 1 787 . 1 1 71 71 GLU CB C 13 35.420 0.300 . 1 . . . . 71 GLU CB . 10103 1 788 . 1 1 71 71 GLU CG C 13 35.966 0.300 . 1 . . . . 71 GLU CG . 10103 1 789 . 1 1 71 71 GLU N N 15 116.144 0.300 . 1 . . . . 71 GLU N . 10103 1 790 . 1 1 72 72 VAL H H 1 8.246 0.030 . 1 . . . . 72 VAL H . 10103 1 791 . 1 1 72 72 VAL HA H 1 4.543 0.030 . 1 . . . . 72 VAL HA . 10103 1 792 . 1 1 72 72 VAL HB H 1 1.797 0.030 . 1 . . . . 72 VAL HB . 10103 1 793 . 1 1 72 72 VAL HG11 H 1 0.841 0.030 . 1 . . . . 72 VAL HG1 . 10103 1 794 . 1 1 72 72 VAL HG12 H 1 0.841 0.030 . 1 . . . . 72 VAL HG1 . 10103 1 795 . 1 1 72 72 VAL HG13 H 1 0.841 0.030 . 1 . . . . 72 VAL HG1 . 10103 1 796 . 1 1 72 72 VAL HG21 H 1 0.749 0.030 . 1 . . . . 72 VAL HG2 . 10103 1 797 . 1 1 72 72 VAL HG22 H 1 0.749 0.030 . 1 . . . . 72 VAL HG2 . 10103 1 798 . 1 1 72 72 VAL HG23 H 1 0.749 0.030 . 1 . . . . 72 VAL HG2 . 10103 1 799 . 1 1 72 72 VAL C C 13 175.109 0.300 . 1 . . . . 72 VAL C . 10103 1 800 . 1 1 72 72 VAL CA C 13 61.070 0.300 . 1 . . . . 72 VAL CA . 10103 1 801 . 1 1 72 72 VAL CB C 13 34.928 0.300 . 1 . . . . 72 VAL CB . 10103 1 802 . 1 1 72 72 VAL CG1 C 13 22.016 0.300 . 2 . . . . 72 VAL CG1 . 10103 1 803 . 1 1 72 72 VAL CG2 C 13 21.090 0.300 . 2 . . . . 72 VAL CG2 . 10103 1 804 . 1 1 72 72 VAL N N 15 119.899 0.300 . 1 . . . . 72 VAL N . 10103 1 805 . 1 1 73 73 ASN H H 1 9.967 0.030 . 1 . . . . 73 ASN H . 10103 1 806 . 1 1 73 73 ASN HA H 1 4.384 0.030 . 1 . . . . 73 ASN HA . 10103 1 807 . 1 1 73 73 ASN HB2 H 1 3.089 0.030 . 2 . . . . 73 ASN HB2 . 10103 1 808 . 1 1 73 73 ASN HB3 H 1 2.774 0.030 . 2 . . . . 73 ASN HB3 . 10103 1 809 . 1 1 73 73 ASN HD21 H 1 7.896 0.030 . 2 . . . . 73 ASN HD21 . 10103 1 810 . 1 1 73 73 ASN HD22 H 1 6.995 0.030 . 2 . . . . 73 ASN HD22 . 10103 1 811 . 1 1 73 73 ASN C C 13 174.527 0.300 . 1 . . . . 73 ASN C . 10103 1 812 . 1 1 73 73 ASN CA C 13 54.408 0.300 . 1 . . . . 73 ASN CA . 10103 1 813 . 1 1 73 73 ASN CB C 13 36.572 0.300 . 1 . . . . 73 ASN CB . 10103 1 814 . 1 1 73 73 ASN N N 15 129.673 0.300 . 1 . . . . 73 ASN N . 10103 1 815 . 1 1 73 73 ASN ND2 N 15 111.874 0.300 . 1 . . . . 73 ASN ND2 . 10103 1 816 . 1 1 74 74 GLN H H 1 9.214 0.030 . 1 . . . . 74 GLN H . 10103 1 817 . 1 1 74 74 GLN HA H 1 3.828 0.030 . 1 . . . . 74 GLN HA . 10103 1 818 . 1 1 74 74 GLN HB2 H 1 2.404 0.030 . 2 . . . . 74 GLN HB2 . 10103 1 819 . 1 1 74 74 GLN HB3 H 1 2.266 0.030 . 2 . . . . 74 GLN HB3 . 10103 1 820 . 1 1 74 74 GLN HG2 H 1 2.343 0.030 . 2 . . . . 74 GLN HG2 . 10103 1 821 . 1 1 74 74 GLN HG3 H 1 2.241 0.030 . 2 . . . . 74 GLN HG3 . 10103 1 822 . 1 1 74 74 GLN HE21 H 1 7.562 0.030 . 2 . . . . 74 GLN HE21 . 10103 1 823 . 1 1 74 74 GLN HE22 H 1 6.699 0.030 . 2 . . . . 74 GLN HE22 . 10103 1 824 . 1 1 74 74 GLN C C 13 174.600 0.300 . 1 . . . . 74 GLN C . 10103 1 825 . 1 1 74 74 GLN CA C 13 57.856 0.300 . 1 . . . . 74 GLN CA . 10103 1 826 . 1 1 74 74 GLN CB C 13 26.276 0.300 . 1 . . . . 74 GLN CB . 10103 1 827 . 1 1 74 74 GLN CG C 13 35.140 0.300 . 1 . . . . 74 GLN CG . 10103 1 828 . 1 1 74 74 GLN N N 15 107.491 0.300 . 1 . . . . 74 GLN N . 10103 1 829 . 1 1 74 74 GLN NE2 N 15 111.922 0.300 . 1 . . . . 74 GLN NE2 . 10103 1 830 . 1 1 75 75 GLN H H 1 8.076 0.030 . 1 . . . . 75 GLN H . 10103 1 831 . 1 1 75 75 GLN HA H 1 4.493 0.030 . 1 . . . . 75 GLN HA . 10103 1 832 . 1 1 75 75 GLN HB2 H 1 2.167 0.030 . 2 . . . . 75 GLN HB2 . 10103 1 833 . 1 1 75 75 GLN HB3 H 1 2.120 0.030 . 2 . . . . 75 GLN HB3 . 10103 1 834 . 1 1 75 75 GLN HG2 H 1 2.332 0.030 . 2 . . . . 75 GLN HG2 . 10103 1 835 . 1 1 75 75 GLN HG3 H 1 2.279 0.030 . 2 . . . . 75 GLN HG3 . 10103 1 836 . 1 1 75 75 GLN HE21 H 1 7.398 0.030 . 2 . . . . 75 GLN HE21 . 10103 1 837 . 1 1 75 75 GLN HE22 H 1 6.982 0.030 . 2 . . . . 75 GLN HE22 . 10103 1 838 . 1 1 75 75 GLN C C 13 175.157 0.300 . 1 . . . . 75 GLN C . 10103 1 839 . 1 1 75 75 GLN CA C 13 54.162 0.300 . 1 . . . . 75 GLN CA . 10103 1 840 . 1 1 75 75 GLN CB C 13 29.611 0.300 . 1 . . . . 75 GLN CB . 10103 1 841 . 1 1 75 75 GLN CG C 13 33.777 0.300 . 1 . . . . 75 GLN CG . 10103 1 842 . 1 1 75 75 GLN N N 15 120.130 0.300 . 1 . . . . 75 GLN N . 10103 1 843 . 1 1 75 75 GLN NE2 N 15 111.782 0.300 . 1 . . . . 75 GLN NE2 . 10103 1 844 . 1 1 76 76 SER H H 1 8.681 0.030 . 1 . . . . 76 SER H . 10103 1 845 . 1 1 76 76 SER HA H 1 4.432 0.030 . 1 . . . . 76 SER HA . 10103 1 846 . 1 1 76 76 SER HB2 H 1 4.059 0.030 . 2 . . . . 76 SER HB2 . 10103 1 847 . 1 1 76 76 SER HB3 H 1 3.798 0.030 . 2 . . . . 76 SER HB3 . 10103 1 848 . 1 1 76 76 SER C C 13 176.175 0.300 . 1 . . . . 76 SER C . 10103 1 849 . 1 1 76 76 SER CA C 13 58.726 0.300 . 1 . . . . 76 SER CA . 10103 1 850 . 1 1 76 76 SER CB C 13 63.604 0.300 . 1 . . . . 76 SER CB . 10103 1 851 . 1 1 76 76 SER N N 15 118.115 0.300 . 1 . . . . 76 SER N . 10103 1 852 . 1 1 77 77 LEU H H 1 7.997 0.030 . 1 . . . . 77 LEU H . 10103 1 853 . 1 1 77 77 LEU HA H 1 4.419 0.030 . 1 . . . . 77 LEU HA . 10103 1 854 . 1 1 77 77 LEU HB2 H 1 1.774 0.030 . 2 . . . . 77 LEU HB2 . 10103 1 855 . 1 1 77 77 LEU HB3 H 1 1.439 0.030 . 2 . . . . 77 LEU HB3 . 10103 1 856 . 1 1 77 77 LEU HG H 1 1.459 0.030 . 1 . . . . 77 LEU HG . 10103 1 857 . 1 1 77 77 LEU HD11 H 1 0.689 0.030 . 1 . . . . 77 LEU HD1 . 10103 1 858 . 1 1 77 77 LEU HD12 H 1 0.689 0.030 . 1 . . . . 77 LEU HD1 . 10103 1 859 . 1 1 77 77 LEU HD13 H 1 0.689 0.030 . 1 . . . . 77 LEU HD1 . 10103 1 860 . 1 1 77 77 LEU HD21 H 1 0.699 0.030 . 1 . . . . 77 LEU HD2 . 10103 1 861 . 1 1 77 77 LEU HD22 H 1 0.699 0.030 . 1 . . . . 77 LEU HD2 . 10103 1 862 . 1 1 77 77 LEU HD23 H 1 0.699 0.030 . 1 . . . . 77 LEU HD2 . 10103 1 863 . 1 1 77 77 LEU C C 13 177.338 0.300 . 1 . . . . 77 LEU C . 10103 1 864 . 1 1 77 77 LEU CA C 13 54.690 0.300 . 1 . . . . 77 LEU CA . 10103 1 865 . 1 1 77 77 LEU CB C 13 40.848 0.300 . 1 . . . . 77 LEU CB . 10103 1 866 . 1 1 77 77 LEU CG C 13 28.351 0.300 . 1 . . . . 77 LEU CG . 10103 1 867 . 1 1 77 77 LEU CD1 C 13 26.174 0.300 . 2 . . . . 77 LEU CD1 . 10103 1 868 . 1 1 77 77 LEU CD2 C 13 24.564 0.300 . 2 . . . . 77 LEU CD2 . 10103 1 869 . 1 1 77 77 LEU N N 15 124.962 0.300 . 1 . . . . 77 LEU N . 10103 1 870 . 1 1 78 78 LEU H H 1 8.063 0.030 . 1 . . . . 78 LEU H . 10103 1 871 . 1 1 78 78 LEU HA H 1 4.131 0.030 . 1 . . . . 78 LEU HA . 10103 1 872 . 1 1 78 78 LEU HB2 H 1 1.590 0.030 . 1 . . . . 78 LEU HB2 . 10103 1 873 . 1 1 78 78 LEU HB3 H 1 1.590 0.030 . 1 . . . . 78 LEU HB3 . 10103 1 874 . 1 1 78 78 LEU HG H 1 1.620 0.030 . 1 . . . . 78 LEU HG . 10103 1 875 . 1 1 78 78 LEU HD11 H 1 0.927 0.030 . 1 . . . . 78 LEU HD1 . 10103 1 876 . 1 1 78 78 LEU HD12 H 1 0.927 0.030 . 1 . . . . 78 LEU HD1 . 10103 1 877 . 1 1 78 78 LEU HD13 H 1 0.927 0.030 . 1 . . . . 78 LEU HD1 . 10103 1 878 . 1 1 78 78 LEU HD21 H 1 0.884 0.030 . 1 . . . . 78 LEU HD2 . 10103 1 879 . 1 1 78 78 LEU HD22 H 1 0.884 0.030 . 1 . . . . 78 LEU HD2 . 10103 1 880 . 1 1 78 78 LEU HD23 H 1 0.884 0.030 . 1 . . . . 78 LEU HD2 . 10103 1 881 . 1 1 78 78 LEU C C 13 178.258 0.300 . 1 . . . . 78 LEU C . 10103 1 882 . 1 1 78 78 LEU CA C 13 57.208 0.300 . 1 . . . . 78 LEU CA . 10103 1 883 . 1 1 78 78 LEU CB C 13 41.024 0.300 . 1 . . . . 78 LEU CB . 10103 1 884 . 1 1 78 78 LEU CD1 C 13 24.484 0.300 . 2 . . . . 78 LEU CD1 . 10103 1 885 . 1 1 78 78 LEU CD2 C 13 24.433 0.300 . 2 . . . . 78 LEU CD2 . 10103 1 886 . 1 1 78 78 LEU N N 15 123.169 0.300 . 1 . . . . 78 LEU N . 10103 1 887 . 1 1 79 79 GLY H H 1 8.779 0.030 . 1 . . . . 79 GLY H . 10103 1 888 . 1 1 79 79 GLY HA2 H 1 4.160 0.030 . 2 . . . . 79 GLY HA2 . 10103 1 889 . 1 1 79 79 GLY HA3 H 1 3.722 0.030 . 2 . . . . 79 GLY HA3 . 10103 1 890 . 1 1 79 79 GLY C C 13 174.140 0.300 . 1 . . . . 79 GLY C . 10103 1 891 . 1 1 79 79 GLY CA C 13 45.507 0.300 . 1 . . . . 79 GLY CA . 10103 1 892 . 1 1 79 79 GLY N N 15 113.913 0.300 . 1 . . . . 79 GLY N . 10103 1 893 . 1 1 80 80 LEU H H 1 7.700 0.030 . 1 . . . . 80 LEU H . 10103 1 894 . 1 1 80 80 LEU HA H 1 4.569 0.030 . 1 . . . . 80 LEU HA . 10103 1 895 . 1 1 80 80 LEU HB2 H 1 1.723 0.030 . 1 . . . . 80 LEU HB2 . 10103 1 896 . 1 1 80 80 LEU HB3 H 1 1.723 0.030 . 1 . . . . 80 LEU HB3 . 10103 1 897 . 1 1 80 80 LEU HG H 1 1.615 0.030 . 1 . . . . 80 LEU HG . 10103 1 898 . 1 1 80 80 LEU HD11 H 1 0.797 0.030 . 1 . . . . 80 LEU HD1 . 10103 1 899 . 1 1 80 80 LEU HD12 H 1 0.797 0.030 . 1 . . . . 80 LEU HD1 . 10103 1 900 . 1 1 80 80 LEU HD13 H 1 0.797 0.030 . 1 . . . . 80 LEU HD1 . 10103 1 901 . 1 1 80 80 LEU HD21 H 1 0.772 0.030 . 1 . . . . 80 LEU HD2 . 10103 1 902 . 1 1 80 80 LEU HD22 H 1 0.772 0.030 . 1 . . . . 80 LEU HD2 . 10103 1 903 . 1 1 80 80 LEU HD23 H 1 0.772 0.030 . 1 . . . . 80 LEU HD2 . 10103 1 904 . 1 1 80 80 LEU C C 13 179.228 0.300 . 1 . . . . 80 LEU C . 10103 1 905 . 1 1 80 80 LEU CA C 13 55.315 0.300 . 1 . . . . 80 LEU CA . 10103 1 906 . 1 1 80 80 LEU CB C 13 41.588 0.300 . 1 . . . . 80 LEU CB . 10103 1 907 . 1 1 80 80 LEU CG C 13 28.021 0.300 . 1 . . . . 80 LEU CG . 10103 1 908 . 1 1 80 80 LEU CD1 C 13 25.574 0.300 . 2 . . . . 80 LEU CD1 . 10103 1 909 . 1 1 80 80 LEU CD2 C 13 22.914 0.300 . 2 . . . . 80 LEU CD2 . 10103 1 910 . 1 1 80 80 LEU N N 15 120.267 0.300 . 1 . . . . 80 LEU N . 10103 1 911 . 1 1 81 81 THR H H 1 8.960 0.030 . 1 . . . . 81 THR H . 10103 1 912 . 1 1 81 81 THR HA H 1 4.711 0.030 . 1 . . . . 81 THR HA . 10103 1 913 . 1 1 81 81 THR HB H 1 4.748 0.030 . 1 . . . . 81 THR HB . 10103 1 914 . 1 1 81 81 THR HG21 H 1 1.320 0.030 . 1 . . . . 81 THR HG2 . 10103 1 915 . 1 1 81 81 THR HG22 H 1 1.320 0.030 . 1 . . . . 81 THR HG2 . 10103 1 916 . 1 1 81 81 THR HG23 H 1 1.320 0.030 . 1 . . . . 81 THR HG2 . 10103 1 917 . 1 1 81 81 THR C C 13 174.939 0.300 . 1 . . . . 81 THR C . 10103 1 918 . 1 1 81 81 THR CA C 13 61.022 0.300 . 1 . . . . 81 THR CA . 10103 1 919 . 1 1 81 81 THR CB C 13 71.764 0.300 . 1 . . . . 81 THR CB . 10103 1 920 . 1 1 81 81 THR CG2 C 13 21.690 0.300 . 1 . . . . 81 THR CG2 . 10103 1 921 . 1 1 81 81 THR N N 15 112.483 0.300 . 1 . . . . 81 THR N . 10103 1 922 . 1 1 82 82 HIS H H 1 9.483 0.030 . 1 . . . . 82 HIS H . 10103 1 923 . 1 1 82 82 HIS HA H 1 3.954 0.030 . 1 . . . . 82 HIS HA . 10103 1 924 . 1 1 82 82 HIS HB2 H 1 3.676 0.030 . 2 . . . . 82 HIS HB2 . 10103 1 925 . 1 1 82 82 HIS HB3 H 1 3.088 0.030 . 2 . . . . 82 HIS HB3 . 10103 1 926 . 1 1 82 82 HIS HD2 H 1 6.936 0.030 . 1 . . . . 82 HIS HD2 . 10103 1 927 . 1 1 82 82 HIS HE1 H 1 8.150 0.030 . 1 . . . . 82 HIS HE1 . 10103 1 928 . 1 1 82 82 HIS C C 13 177.144 0.300 . 1 . . . . 82 HIS C . 10103 1 929 . 1 1 82 82 HIS CA C 13 61.761 0.300 . 1 . . . . 82 HIS CA . 10103 1 930 . 1 1 82 82 HIS CB C 13 29.753 0.300 . 1 . . . . 82 HIS CB . 10103 1 931 . 1 1 82 82 HIS CD2 C 13 119.166 0.300 . 1 . . . . 82 HIS CD2 . 10103 1 932 . 1 1 82 82 HIS CE1 C 13 137.600 0.300 . 1 . . . . 82 HIS CE1 . 10103 1 933 . 1 1 82 82 HIS N N 15 120.596 0.300 . 1 . . . . 82 HIS N . 10103 1 934 . 1 1 83 83 GLY H H 1 8.888 0.030 . 1 . . . . 83 GLY H . 10103 1 935 . 1 1 83 83 GLY HA2 H 1 3.946 0.030 . 2 . . . . 83 GLY HA2 . 10103 1 936 . 1 1 83 83 GLY HA3 H 1 3.742 0.030 . 2 . . . . 83 GLY HA3 . 10103 1 937 . 1 1 83 83 GLY C C 13 177.507 0.300 . 1 . . . . 83 GLY C . 10103 1 938 . 1 1 83 83 GLY CA C 13 47.126 0.300 . 1 . . . . 83 GLY CA . 10103 1 939 . 1 1 83 83 GLY N N 15 103.952 0.300 . 1 . . . . 83 GLY N . 10103 1 940 . 1 1 84 84 GLU H H 1 7.773 0.030 . 1 . . . . 84 GLU H . 10103 1 941 . 1 1 84 84 GLU HA H 1 3.988 0.030 . 1 . . . . 84 GLU HA . 10103 1 942 . 1 1 84 84 GLU HB2 H 1 2.319 0.030 . 2 . . . . 84 GLU HB2 . 10103 1 943 . 1 1 84 84 GLU HB3 H 1 1.935 0.030 . 2 . . . . 84 GLU HB3 . 10103 1 944 . 1 1 84 84 GLU HG2 H 1 2.304 0.030 . 1 . . . . 84 GLU HG2 . 10103 1 945 . 1 1 84 84 GLU HG3 H 1 2.304 0.030 . 1 . . . . 84 GLU HG3 . 10103 1 946 . 1 1 84 84 GLU C C 13 179.494 0.300 . 1 . . . . 84 GLU C . 10103 1 947 . 1 1 84 84 GLU CA C 13 58.912 0.300 . 1 . . . . 84 GLU CA . 10103 1 948 . 1 1 84 84 GLU CB C 13 30.679 0.300 . 1 . . . . 84 GLU CB . 10103 1 949 . 1 1 84 84 GLU CG C 13 37.641 0.300 . 1 . . . . 84 GLU CG . 10103 1 950 . 1 1 84 84 GLU N N 15 121.847 0.300 . 1 . . . . 84 GLU N . 10103 1 951 . 1 1 85 85 ALA H H 1 8.323 0.030 . 1 . . . . 85 ALA H . 10103 1 952 . 1 1 85 85 ALA HA H 1 3.899 0.030 . 1 . . . . 85 ALA HA . 10103 1 953 . 1 1 85 85 ALA HB1 H 1 1.291 0.030 . 1 . . . . 85 ALA HB . 10103 1 954 . 1 1 85 85 ALA HB2 H 1 1.291 0.030 . 1 . . . . 85 ALA HB . 10103 1 955 . 1 1 85 85 ALA HB3 H 1 1.291 0.030 . 1 . . . . 85 ALA HB . 10103 1 956 . 1 1 85 85 ALA C C 13 178.840 0.300 . 1 . . . . 85 ALA C . 10103 1 957 . 1 1 85 85 ALA CA C 13 55.323 0.300 . 1 . . . . 85 ALA CA . 10103 1 958 . 1 1 85 85 ALA CB C 13 18.695 0.300 . 1 . . . . 85 ALA CB . 10103 1 959 . 1 1 85 85 ALA N N 15 123.678 0.300 . 1 . . . . 85 ALA N . 10103 1 960 . 1 1 86 86 VAL H H 1 8.462 0.030 . 1 . . . . 86 VAL H . 10103 1 961 . 1 1 86 86 VAL HA H 1 3.392 0.030 . 1 . . . . 86 VAL HA . 10103 1 962 . 1 1 86 86 VAL HB H 1 2.044 0.030 . 1 . . . . 86 VAL HB . 10103 1 963 . 1 1 86 86 VAL HG11 H 1 0.783 0.030 . 1 . . . . 86 VAL HG1 . 10103 1 964 . 1 1 86 86 VAL HG12 H 1 0.783 0.030 . 1 . . . . 86 VAL HG1 . 10103 1 965 . 1 1 86 86 VAL HG13 H 1 0.783 0.030 . 1 . . . . 86 VAL HG1 . 10103 1 966 . 1 1 86 86 VAL HG21 H 1 0.905 0.030 . 1 . . . . 86 VAL HG2 . 10103 1 967 . 1 1 86 86 VAL HG22 H 1 0.905 0.030 . 1 . . . . 86 VAL HG2 . 10103 1 968 . 1 1 86 86 VAL HG23 H 1 0.905 0.030 . 1 . . . . 86 VAL HG2 . 10103 1 969 . 1 1 86 86 VAL C C 13 178.840 0.300 . 1 . . . . 86 VAL C . 10103 1 970 . 1 1 86 86 VAL CA C 13 67.026 0.300 . 1 . . . . 86 VAL CA . 10103 1 971 . 1 1 86 86 VAL CB C 13 31.693 0.300 . 1 . . . . 86 VAL CB . 10103 1 972 . 1 1 86 86 VAL CG1 C 13 23.220 0.300 . 2 . . . . 86 VAL CG1 . 10103 1 973 . 1 1 86 86 VAL CG2 C 13 21.279 0.300 . 2 . . . . 86 VAL CG2 . 10103 1 974 . 1 1 86 86 VAL N N 15 117.994 0.300 . 1 . . . . 86 VAL N . 10103 1 975 . 1 1 87 87 GLN H H 1 7.593 0.030 . 1 . . . . 87 GLN H . 10103 1 976 . 1 1 87 87 GLN HA H 1 3.958 0.030 . 1 . . . . 87 GLN HA . 10103 1 977 . 1 1 87 87 GLN HB2 H 1 2.141 0.030 . 1 . . . . 87 GLN HB2 . 10103 1 978 . 1 1 87 87 GLN HB3 H 1 2.141 0.030 . 1 . . . . 87 GLN HB3 . 10103 1 979 . 1 1 87 87 GLN HG2 H 1 2.451 0.030 . 1 . . . . 87 GLN HG2 . 10103 1 980 . 1 1 87 87 GLN HG3 H 1 2.451 0.030 . 1 . . . . 87 GLN HG3 . 10103 1 981 . 1 1 87 87 GLN HE21 H 1 7.478 0.030 . 2 . . . . 87 GLN HE21 . 10103 1 982 . 1 1 87 87 GLN HE22 H 1 6.881 0.030 . 2 . . . . 87 GLN HE22 . 10103 1 983 . 1 1 87 87 GLN C C 13 178.767 0.300 . 1 . . . . 87 GLN C . 10103 1 984 . 1 1 87 87 GLN CA C 13 58.736 0.300 . 1 . . . . 87 GLN CA . 10103 1 985 . 1 1 87 87 GLN CB C 13 27.982 0.300 . 1 . . . . 87 GLN CB . 10103 1 986 . 1 1 87 87 GLN CG C 13 33.530 0.300 . 1 . . . . 87 GLN CG . 10103 1 987 . 1 1 87 87 GLN N N 15 118.055 0.300 . 1 . . . . 87 GLN N . 10103 1 988 . 1 1 87 87 GLN NE2 N 15 112.375 0.300 . 1 . . . . 87 GLN NE2 . 10103 1 989 . 1 1 88 88 LEU H H 1 7.637 0.030 . 1 . . . . 88 LEU H . 10103 1 990 . 1 1 88 88 LEU HA H 1 4.093 0.030 . 1 . . . . 88 LEU HA . 10103 1 991 . 1 1 88 88 LEU HB2 H 1 1.782 0.030 . 2 . . . . 88 LEU HB2 . 10103 1 992 . 1 1 88 88 LEU HB3 H 1 1.518 0.030 . 2 . . . . 88 LEU HB3 . 10103 1 993 . 1 1 88 88 LEU HG H 1 1.613 0.030 . 1 . . . . 88 LEU HG . 10103 1 994 . 1 1 88 88 LEU HD11 H 1 0.749 0.030 . 1 . . . . 88 LEU HD1 . 10103 1 995 . 1 1 88 88 LEU HD12 H 1 0.749 0.030 . 1 . . . . 88 LEU HD1 . 10103 1 996 . 1 1 88 88 LEU HD13 H 1 0.749 0.030 . 1 . . . . 88 LEU HD1 . 10103 1 997 . 1 1 88 88 LEU HD21 H 1 0.767 0.030 . 1 . . . . 88 LEU HD2 . 10103 1 998 . 1 1 88 88 LEU HD22 H 1 0.767 0.030 . 1 . . . . 88 LEU HD2 . 10103 1 999 . 1 1 88 88 LEU HD23 H 1 0.767 0.030 . 1 . . . . 88 LEU HD2 . 10103 1 1000 . 1 1 88 88 LEU C C 13 180.148 0.300 . 1 . . . . 88 LEU C . 10103 1 1001 . 1 1 88 88 LEU CA C 13 57.909 0.300 . 1 . . . . 88 LEU CA . 10103 1 1002 . 1 1 88 88 LEU CB C 13 41.739 0.300 . 1 . . . . 88 LEU CB . 10103 1 1003 . 1 1 88 88 LEU CG C 13 27.035 0.300 . 1 . . . . 88 LEU CG . 10103 1 1004 . 1 1 88 88 LEU CD1 C 13 25.041 0.300 . 2 . . . . 88 LEU CD1 . 10103 1 1005 . 1 1 88 88 LEU CD2 C 13 24.044 0.300 . 2 . . . . 88 LEU CD2 . 10103 1 1006 . 1 1 88 88 LEU N N 15 120.452 0.300 . 1 . . . . 88 LEU N . 10103 1 1007 . 1 1 89 89 LEU H H 1 7.804 0.030 . 1 . . . . 89 LEU H . 10103 1 1008 . 1 1 89 89 LEU HA H 1 3.964 0.030 . 1 . . . . 89 LEU HA . 10103 1 1009 . 1 1 89 89 LEU HB2 H 1 1.933 0.030 . 2 . . . . 89 LEU HB2 . 10103 1 1010 . 1 1 89 89 LEU HB3 H 1 1.537 0.030 . 2 . . . . 89 LEU HB3 . 10103 1 1011 . 1 1 89 89 LEU HG H 1 1.701 0.030 . 1 . . . . 89 LEU HG . 10103 1 1012 . 1 1 89 89 LEU HD11 H 1 0.718 0.030 . 1 . . . . 89 LEU HD1 . 10103 1 1013 . 1 1 89 89 LEU HD12 H 1 0.718 0.030 . 1 . . . . 89 LEU HD1 . 10103 1 1014 . 1 1 89 89 LEU HD13 H 1 0.718 0.030 . 1 . . . . 89 LEU HD1 . 10103 1 1015 . 1 1 89 89 LEU HD21 H 1 0.694 0.030 . 1 . . . . 89 LEU HD2 . 10103 1 1016 . 1 1 89 89 LEU HD22 H 1 0.694 0.030 . 1 . . . . 89 LEU HD2 . 10103 1 1017 . 1 1 89 89 LEU HD23 H 1 0.694 0.030 . 1 . . . . 89 LEU HD2 . 10103 1 1018 . 1 1 89 89 LEU C C 13 178.016 0.300 . 1 . . . . 89 LEU C . 10103 1 1019 . 1 1 89 89 LEU CA C 13 57.487 0.300 . 1 . . . . 89 LEU CA . 10103 1 1020 . 1 1 89 89 LEU CB C 13 41.600 0.300 . 1 . . . . 89 LEU CB . 10103 1 1021 . 1 1 89 89 LEU CG C 13 27.117 0.300 . 1 . . . . 89 LEU CG . 10103 1 1022 . 1 1 89 89 LEU CD1 C 13 25.594 0.300 . 2 . . . . 89 LEU CD1 . 10103 1 1023 . 1 1 89 89 LEU CD2 C 13 23.530 0.300 . 2 . . . . 89 LEU CD2 . 10103 1 1024 . 1 1 89 89 LEU N N 15 118.916 0.300 . 1 . . . . 89 LEU N . 10103 1 1025 . 1 1 90 90 ARG H H 1 7.894 0.030 . 1 . . . . 90 ARG H . 10103 1 1026 . 1 1 90 90 ARG HA H 1 4.304 0.030 . 1 . . . . 90 ARG HA . 10103 1 1027 . 1 1 90 90 ARG HB2 H 1 2.007 0.030 . 2 . . . . 90 ARG HB2 . 10103 1 1028 . 1 1 90 90 ARG HB3 H 1 1.898 0.030 . 2 . . . . 90 ARG HB3 . 10103 1 1029 . 1 1 90 90 ARG HG2 H 1 1.844 0.030 . 2 . . . . 90 ARG HG2 . 10103 1 1030 . 1 1 90 90 ARG HG3 H 1 1.737 0.030 . 2 . . . . 90 ARG HG3 . 10103 1 1031 . 1 1 90 90 ARG HD2 H 1 3.176 0.030 . 1 . . . . 90 ARG HD2 . 10103 1 1032 . 1 1 90 90 ARG HD3 H 1 3.176 0.030 . 1 . . . . 90 ARG HD3 . 10103 1 1033 . 1 1 90 90 ARG C C 13 177.047 0.300 . 1 . . . . 90 ARG C . 10103 1 1034 . 1 1 90 90 ARG CA C 13 57.504 0.300 . 1 . . . . 90 ARG CA . 10103 1 1035 . 1 1 90 90 ARG CB C 13 30.488 0.300 . 1 . . . . 90 ARG CB . 10103 1 1036 . 1 1 90 90 ARG CG C 13 27.692 0.300 . 1 . . . . 90 ARG CG . 10103 1 1037 . 1 1 90 90 ARG CD C 13 43.808 0.300 . 1 . . . . 90 ARG CD . 10103 1 1038 . 1 1 90 90 ARG N N 15 117.317 0.300 . 1 . . . . 90 ARG N . 10103 1 1039 . 1 1 91 91 SER H H 1 7.595 0.030 . 1 . . . . 91 SER H . 10103 1 1040 . 1 1 91 91 SER HA H 1 4.515 0.030 . 1 . . . . 91 SER HA . 10103 1 1041 . 1 1 91 91 SER HB2 H 1 3.981 0.030 . 1 . . . . 91 SER HB2 . 10103 1 1042 . 1 1 91 91 SER HB3 H 1 3.981 0.030 . 1 . . . . 91 SER HB3 . 10103 1 1043 . 1 1 91 91 SER C C 13 174.406 0.300 . 1 . . . . 91 SER C . 10103 1 1044 . 1 1 91 91 SER CA C 13 59.052 0.300 . 1 . . . . 91 SER CA . 10103 1 1045 . 1 1 91 91 SER CB C 13 64.284 0.300 . 1 . . . . 91 SER CB . 10103 1 1046 . 1 1 91 91 SER N N 15 114.098 0.300 . 1 . . . . 91 SER N . 10103 1 1047 . 1 1 92 92 VAL H H 1 7.354 0.030 . 1 . . . . 92 VAL H . 10103 1 1048 . 1 1 92 92 VAL HA H 1 4.032 0.030 . 1 . . . . 92 VAL HA . 10103 1 1049 . 1 1 92 92 VAL HB H 1 2.270 0.030 . 1 . . . . 92 VAL HB . 10103 1 1050 . 1 1 92 92 VAL HG11 H 1 1.017 0.030 . 1 . . . . 92 VAL HG1 . 10103 1 1051 . 1 1 92 92 VAL HG12 H 1 1.017 0.030 . 1 . . . . 92 VAL HG1 . 10103 1 1052 . 1 1 92 92 VAL HG13 H 1 1.017 0.030 . 1 . . . . 92 VAL HG1 . 10103 1 1053 . 1 1 92 92 VAL HG21 H 1 1.040 0.030 . 1 . . . . 92 VAL HG2 . 10103 1 1054 . 1 1 92 92 VAL HG22 H 1 1.040 0.030 . 1 . . . . 92 VAL HG2 . 10103 1 1055 . 1 1 92 92 VAL HG23 H 1 1.040 0.030 . 1 . . . . 92 VAL HG2 . 10103 1 1056 . 1 1 92 92 VAL C C 13 176.223 0.300 . 1 . . . . 92 VAL C . 10103 1 1057 . 1 1 92 92 VAL CA C 13 62.781 0.300 . 1 . . . . 92 VAL CA . 10103 1 1058 . 1 1 92 92 VAL CB C 13 32.432 0.300 . 1 . . . . 92 VAL CB . 10103 1 1059 . 1 1 92 92 VAL CG1 C 13 21.524 0.300 . 2 . . . . 92 VAL CG1 . 10103 1 1060 . 1 1 92 92 VAL CG2 C 13 20.199 0.300 . 2 . . . . 92 VAL CG2 . 10103 1 1061 . 1 1 92 92 VAL N N 15 118.792 0.300 . 1 . . . . 92 VAL N . 10103 1 1062 . 1 1 93 93 GLY H H 1 8.663 0.030 . 1 . . . . 93 GLY H . 10103 1 1063 . 1 1 93 93 GLY HA2 H 1 4.183 0.030 . 2 . . . . 93 GLY HA2 . 10103 1 1064 . 1 1 93 93 GLY HA3 H 1 3.962 0.030 . 2 . . . . 93 GLY HA3 . 10103 1 1065 . 1 1 93 93 GLY C C 13 173.582 0.300 . 1 . . . . 93 GLY C . 10103 1 1066 . 1 1 93 93 GLY CA C 13 44.869 0.300 . 1 . . . . 93 GLY CA . 10103 1 1067 . 1 1 93 93 GLY N N 15 113.445 0.300 . 1 . . . . 93 GLY N . 10103 1 1068 . 1 1 94 94 ASP H H 1 8.372 0.030 . 1 . . . . 94 ASP H . 10103 1 1069 . 1 1 94 94 ASP HA H 1 4.591 0.030 . 1 . . . . 94 ASP HA . 10103 1 1070 . 1 1 94 94 ASP HB2 H 1 2.901 0.030 . 2 . . . . 94 ASP HB2 . 10103 1 1071 . 1 1 94 94 ASP HB3 H 1 2.724 0.030 . 2 . . . . 94 ASP HB3 . 10103 1 1072 . 1 1 94 94 ASP C C 13 175.642 0.300 . 1 . . . . 94 ASP C . 10103 1 1073 . 1 1 94 94 ASP CA C 13 55.765 0.300 . 1 . . . . 94 ASP CA . 10103 1 1074 . 1 1 94 94 ASP CB C 13 41.125 0.300 . 1 . . . . 94 ASP CB . 10103 1 1075 . 1 1 94 94 ASP N N 15 120.267 0.300 . 1 . . . . 94 ASP N . 10103 1 1076 . 1 1 95 95 THR H H 1 7.603 0.030 . 1 . . . . 95 THR H . 10103 1 1077 . 1 1 95 95 THR HA H 1 4.940 0.030 . 1 . . . . 95 THR HA . 10103 1 1078 . 1 1 95 95 THR HB H 1 3.896 0.030 . 1 . . . . 95 THR HB . 10103 1 1079 . 1 1 95 95 THR HG21 H 1 1.040 0.030 . 1 . . . . 95 THR HG2 . 10103 1 1080 . 1 1 95 95 THR HG22 H 1 1.040 0.030 . 1 . . . . 95 THR HG2 . 10103 1 1081 . 1 1 95 95 THR HG23 H 1 1.040 0.030 . 1 . . . . 95 THR HG2 . 10103 1 1082 . 1 1 95 95 THR C C 13 172.904 0.300 . 1 . . . . 95 THR C . 10103 1 1083 . 1 1 95 95 THR CA C 13 61.093 0.300 . 1 . . . . 95 THR CA . 10103 1 1084 . 1 1 95 95 THR CB C 13 71.517 0.300 . 1 . . . . 95 THR CB . 10103 1 1085 . 1 1 95 95 THR CG2 C 13 21.984 0.300 . 1 . . . . 95 THR CG2 . 10103 1 1086 . 1 1 95 95 THR N N 15 111.344 0.300 . 1 . . . . 95 THR N . 10103 1 1087 . 1 1 96 96 LEU H H 1 9.028 0.030 . 1 . . . . 96 LEU H . 10103 1 1088 . 1 1 96 96 LEU HA H 1 5.005 0.030 . 1 . . . . 96 LEU HA . 10103 1 1089 . 1 1 96 96 LEU HB2 H 1 1.760 0.030 . 2 . . . . 96 LEU HB2 . 10103 1 1090 . 1 1 96 96 LEU HB3 H 1 1.423 0.030 . 2 . . . . 96 LEU HB3 . 10103 1 1091 . 1 1 96 96 LEU HG H 1 1.566 0.030 . 1 . . . . 96 LEU HG . 10103 1 1092 . 1 1 96 96 LEU HD11 H 1 0.783 0.030 . 1 . . . . 96 LEU HD1 . 10103 1 1093 . 1 1 96 96 LEU HD12 H 1 0.783 0.030 . 1 . . . . 96 LEU HD1 . 10103 1 1094 . 1 1 96 96 LEU HD13 H 1 0.783 0.030 . 1 . . . . 96 LEU HD1 . 10103 1 1095 . 1 1 96 96 LEU HD21 H 1 0.861 0.030 . 1 . . . . 96 LEU HD2 . 10103 1 1096 . 1 1 96 96 LEU HD22 H 1 0.861 0.030 . 1 . . . . 96 LEU HD2 . 10103 1 1097 . 1 1 96 96 LEU HD23 H 1 0.861 0.030 . 1 . . . . 96 LEU HD2 . 10103 1 1098 . 1 1 96 96 LEU C C 13 174.455 0.300 . 1 . . . . 96 LEU C . 10103 1 1099 . 1 1 96 96 LEU CA C 13 54.092 0.300 . 1 . . . . 96 LEU CA . 10103 1 1100 . 1 1 96 96 LEU CB C 13 44.476 0.300 . 1 . . . . 96 LEU CB . 10103 1 1101 . 1 1 96 96 LEU CD1 C 13 26.788 0.300 . 2 . . . . 96 LEU CD1 . 10103 1 1102 . 1 1 96 96 LEU CD2 C 13 25.879 0.300 . 2 . . . . 96 LEU CD2 . 10103 1 1103 . 1 1 96 96 LEU N N 15 126.537 0.300 . 1 . . . . 96 LEU N . 10103 1 1104 . 1 1 97 97 THR H H 1 8.816 0.030 . 1 . . . . 97 THR H . 10103 1 1105 . 1 1 97 97 THR HA H 1 5.488 0.030 . 1 . . . . 97 THR HA . 10103 1 1106 . 1 1 97 97 THR HB H 1 4.020 0.030 . 1 . . . . 97 THR HB . 10103 1 1107 . 1 1 97 97 THR HG21 H 1 1.111 0.030 . 1 . . . . 97 THR HG2 . 10103 1 1108 . 1 1 97 97 THR HG22 H 1 1.111 0.030 . 1 . . . . 97 THR HG2 . 10103 1 1109 . 1 1 97 97 THR HG23 H 1 1.111 0.030 . 1 . . . . 97 THR HG2 . 10103 1 1110 . 1 1 97 97 THR C C 13 174.673 0.300 . 1 . . . . 97 THR C . 10103 1 1111 . 1 1 97 97 THR CA C 13 61.126 0.300 . 1 . . . . 97 THR CA . 10103 1 1112 . 1 1 97 97 THR CB C 13 70.075 0.300 . 1 . . . . 97 THR CB . 10103 1 1113 . 1 1 97 97 THR CG2 C 13 21.659 0.300 . 1 . . . . 97 THR CG2 . 10103 1 1114 . 1 1 97 97 THR N N 15 120.821 0.300 . 1 . . . . 97 THR N . 10103 1 1115 . 1 1 98 98 VAL H H 1 9.189 0.030 . 1 . . . . 98 VAL H . 10103 1 1116 . 1 1 98 98 VAL HA H 1 5.253 0.030 . 1 . . . . 98 VAL HA . 10103 1 1117 . 1 1 98 98 VAL HB H 1 1.993 0.030 . 1 . . . . 98 VAL HB . 10103 1 1118 . 1 1 98 98 VAL HG11 H 1 0.891 0.030 . 1 . . . . 98 VAL HG1 . 10103 1 1119 . 1 1 98 98 VAL HG12 H 1 0.891 0.030 . 1 . . . . 98 VAL HG1 . 10103 1 1120 . 1 1 98 98 VAL HG13 H 1 0.891 0.030 . 1 . . . . 98 VAL HG1 . 10103 1 1121 . 1 1 98 98 VAL HG21 H 1 0.883 0.030 . 1 . . . . 98 VAL HG2 . 10103 1 1122 . 1 1 98 98 VAL HG22 H 1 0.883 0.030 . 1 . . . . 98 VAL HG2 . 10103 1 1123 . 1 1 98 98 VAL HG23 H 1 0.883 0.030 . 1 . . . . 98 VAL HG2 . 10103 1 1124 . 1 1 98 98 VAL C C 13 172.637 0.300 . 1 . . . . 98 VAL C . 10103 1 1125 . 1 1 98 98 VAL CA C 13 58.243 0.300 . 1 . . . . 98 VAL CA . 10103 1 1126 . 1 1 98 98 VAL CB C 13 34.986 0.300 . 1 . . . . 98 VAL CB . 10103 1 1127 . 1 1 98 98 VAL CG1 C 13 22.306 0.300 . 2 . . . . 98 VAL CG1 . 10103 1 1128 . 1 1 98 98 VAL CG2 C 13 20.128 0.300 . 2 . . . . 98 VAL CG2 . 10103 1 1129 . 1 1 98 98 VAL N N 15 119.530 0.300 . 1 . . . . 98 VAL N . 10103 1 1130 . 1 1 99 99 LEU H H 1 8.175 0.030 . 1 . . . . 99 LEU H . 10103 1 1131 . 1 1 99 99 LEU HA H 1 5.261 0.030 . 1 . . . . 99 LEU HA . 10103 1 1132 . 1 1 99 99 LEU HB2 H 1 1.718 0.030 . 2 . . . . 99 LEU HB2 . 10103 1 1133 . 1 1 99 99 LEU HB3 H 1 1.565 0.030 . 2 . . . . 99 LEU HB3 . 10103 1 1134 . 1 1 99 99 LEU HG H 1 1.345 0.030 . 1 . . . . 99 LEU HG . 10103 1 1135 . 1 1 99 99 LEU HD11 H 1 0.799 0.030 . 1 . . . . 99 LEU HD1 . 10103 1 1136 . 1 1 99 99 LEU HD12 H 1 0.799 0.030 . 1 . . . . 99 LEU HD1 . 10103 1 1137 . 1 1 99 99 LEU HD13 H 1 0.799 0.030 . 1 . . . . 99 LEU HD1 . 10103 1 1138 . 1 1 99 99 LEU HD21 H 1 0.847 0.030 . 1 . . . . 99 LEU HD2 . 10103 1 1139 . 1 1 99 99 LEU HD22 H 1 0.847 0.030 . 1 . . . . 99 LEU HD2 . 10103 1 1140 . 1 1 99 99 LEU HD23 H 1 0.847 0.030 . 1 . . . . 99 LEU HD2 . 10103 1 1141 . 1 1 99 99 LEU C C 13 176.054 0.300 . 1 . . . . 99 LEU C . 10103 1 1142 . 1 1 99 99 LEU CA C 13 53.857 0.300 . 1 . . . . 99 LEU CA . 10103 1 1143 . 1 1 99 99 LEU CB C 13 44.953 0.300 . 1 . . . . 99 LEU CB . 10103 1 1144 . 1 1 99 99 LEU CG C 13 27.282 0.300 . 1 . . . . 99 LEU CG . 10103 1 1145 . 1 1 99 99 LEU CD1 C 13 25.733 0.300 . 2 . . . . 99 LEU CD1 . 10103 1 1146 . 1 1 99 99 LEU CD2 C 13 23.287 0.300 . 2 . . . . 99 LEU CD2 . 10103 1 1147 . 1 1 99 99 LEU N N 15 125.911 0.300 . 1 . . . . 99 LEU N . 10103 1 1148 . 1 1 100 100 VAL H H 1 9.010 0.030 . 1 . . . . 100 VAL H . 10103 1 1149 . 1 1 100 100 VAL HA H 1 5.681 0.030 . 1 . . . . 100 VAL HA . 10103 1 1150 . 1 1 100 100 VAL HB H 1 2.245 0.030 . 1 . . . . 100 VAL HB . 10103 1 1151 . 1 1 100 100 VAL HG11 H 1 0.845 0.030 . 1 . . . . 100 VAL HG1 . 10103 1 1152 . 1 1 100 100 VAL HG12 H 1 0.845 0.030 . 1 . . . . 100 VAL HG1 . 10103 1 1153 . 1 1 100 100 VAL HG13 H 1 0.845 0.030 . 1 . . . . 100 VAL HG1 . 10103 1 1154 . 1 1 100 100 VAL HG21 H 1 0.807 0.030 . 1 . . . . 100 VAL HG2 . 10103 1 1155 . 1 1 100 100 VAL HG22 H 1 0.807 0.030 . 1 . . . . 100 VAL HG2 . 10103 1 1156 . 1 1 100 100 VAL HG23 H 1 0.807 0.030 . 1 . . . . 100 VAL HG2 . 10103 1 1157 . 1 1 100 100 VAL C C 13 174.140 0.300 . 1 . . . . 100 VAL C . 10103 1 1158 . 1 1 100 100 VAL CA C 13 57.891 0.300 . 1 . . . . 100 VAL CA . 10103 1 1159 . 1 1 100 100 VAL CB C 13 36.085 0.300 . 1 . . . . 100 VAL CB . 10103 1 1160 . 1 1 100 100 VAL CG1 C 13 22.144 0.300 . 2 . . . . 100 VAL CG1 . 10103 1 1161 . 1 1 100 100 VAL CG2 C 13 18.504 0.300 . 2 . . . . 100 VAL CG2 . 10103 1 1162 . 1 1 100 100 VAL N N 15 119.185 0.300 . 1 . . . . 100 VAL N . 10103 1 1163 . 1 1 101 101 CYS H H 1 8.663 0.030 . 1 . . . . 101 CYS H . 10103 1 1164 . 1 1 101 101 CYS HA H 1 4.994 0.030 . 1 . . . . 101 CYS HA . 10103 1 1165 . 1 1 101 101 CYS HB2 H 1 3.261 0.030 . 2 . . . . 101 CYS HB2 . 10103 1 1166 . 1 1 101 101 CYS HB3 H 1 2.586 0.030 . 2 . . . . 101 CYS HB3 . 10103 1 1167 . 1 1 101 101 CYS C C 13 172.444 0.300 . 1 . . . . 101 CYS C . 10103 1 1168 . 1 1 101 101 CYS CA C 13 56.484 0.300 . 1 . . . . 101 CYS CA . 10103 1 1169 . 1 1 101 101 CYS CB C 13 30.795 0.300 . 1 . . . . 101 CYS CB . 10103 1 1170 . 1 1 101 101 CYS N N 15 113.591 0.300 . 1 . . . . 101 CYS N . 10103 1 1171 . 1 1 102 102 ASP H H 1 8.563 0.030 . 1 . . . . 102 ASP H . 10103 1 1172 . 1 1 102 102 ASP HA H 1 4.616 0.030 . 1 . . . . 102 ASP HA . 10103 1 1173 . 1 1 102 102 ASP HB2 H 1 2.657 0.030 . 2 . . . . 102 ASP HB2 . 10103 1 1174 . 1 1 102 102 ASP HB3 H 1 2.502 0.030 . 2 . . . . 102 ASP HB3 . 10103 1 1175 . 1 1 102 102 ASP C C 13 176.659 0.300 . 1 . . . . 102 ASP C . 10103 1 1176 . 1 1 102 102 ASP CA C 13 55.618 0.300 . 1 . . . . 102 ASP CA . 10103 1 1177 . 1 1 102 102 ASP CB C 13 41.151 0.300 . 1 . . . . 102 ASP CB . 10103 1 1178 . 1 1 102 102 ASP N N 15 121.282 0.300 . 1 . . . . 102 ASP N . 10103 1 1179 . 1 1 103 103 GLY H H 1 8.531 0.030 . 1 . . . . 103 GLY H . 10103 1 1180 . 1 1 103 103 GLY HA2 H 1 4.299 0.030 . 2 . . . . 103 GLY HA2 . 10103 1 1181 . 1 1 103 103 GLY HA3 H 1 4.163 0.030 . 2 . . . . 103 GLY HA3 . 10103 1 1182 . 1 1 103 103 GLY C C 13 173.437 0.300 . 1 . . . . 103 GLY C . 10103 1 1183 . 1 1 103 103 GLY CA C 13 45.648 0.300 . 1 . . . . 103 GLY CA . 10103 1 1184 . 1 1 103 103 GLY N N 15 109.757 0.300 . 1 . . . . 103 GLY N . 10103 1 1185 . 1 1 104 104 PHE H H 1 8.327 0.030 . 1 . . . . 104 PHE H . 10103 1 1186 . 1 1 104 104 PHE HA H 1 4.748 0.030 . 1 . . . . 104 PHE HA . 10103 1 1187 . 1 1 104 104 PHE HB2 H 1 3.044 0.030 . 1 . . . . 104 PHE HB2 . 10103 1 1188 . 1 1 104 104 PHE HB3 H 1 3.044 0.030 . 1 . . . . 104 PHE HB3 . 10103 1 1189 . 1 1 104 104 PHE HD1 H 1 7.090 0.030 . 1 . . . . 104 PHE HD1 . 10103 1 1190 . 1 1 104 104 PHE HD2 H 1 7.090 0.030 . 1 . . . . 104 PHE HD2 . 10103 1 1191 . 1 1 104 104 PHE HE1 H 1 7.183 0.030 . 1 . . . . 104 PHE HE1 . 10103 1 1192 . 1 1 104 104 PHE HE2 H 1 7.183 0.030 . 1 . . . . 104 PHE HE2 . 10103 1 1193 . 1 1 104 104 PHE HZ H 1 7.401 0.030 . 1 . . . . 104 PHE HZ . 10103 1 1194 . 1 1 104 104 PHE C C 13 175.351 0.300 . 1 . . . . 104 PHE C . 10103 1 1195 . 1 1 104 104 PHE CA C 13 57.188 0.300 . 1 . . . . 104 PHE CA . 10103 1 1196 . 1 1 104 104 PHE CB C 13 40.100 0.300 . 1 . . . . 104 PHE CB . 10103 1 1197 . 1 1 104 104 PHE CD1 C 13 132.178 0.300 . 1 . . . . 104 PHE CD1 . 10103 1 1198 . 1 1 104 104 PHE CD2 C 13 132.178 0.300 . 1 . . . . 104 PHE CD2 . 10103 1 1199 . 1 1 104 104 PHE CE1 C 13 131.413 0.300 . 1 . . . . 104 PHE CE1 . 10103 1 1200 . 1 1 104 104 PHE CE2 C 13 131.413 0.300 . 1 . . . . 104 PHE CE2 . 10103 1 1201 . 1 1 104 104 PHE CZ C 13 129.623 0.300 . 1 . . . . 104 PHE CZ . 10103 1 1202 . 1 1 104 104 PHE N N 15 121.282 0.300 . 1 . . . . 104 PHE N . 10103 1 1203 . 1 1 105 105 GLU H H 1 8.549 0.030 . 1 . . . . 105 GLU H . 10103 1 1204 . 1 1 105 105 GLU HA H 1 4.350 0.030 . 1 . . . . 105 GLU HA . 10103 1 1205 . 1 1 105 105 GLU HB2 H 1 2.038 0.030 . 2 . . . . 105 GLU HB2 . 10103 1 1206 . 1 1 105 105 GLU HB3 H 1 1.892 0.030 . 2 . . . . 105 GLU HB3 . 10103 1 1207 . 1 1 105 105 GLU HG2 H 1 2.187 0.030 . 1 . . . . 105 GLU HG2 . 10103 1 1208 . 1 1 105 105 GLU HG3 H 1 2.187 0.030 . 1 . . . . 105 GLU HG3 . 10103 1 1209 . 1 1 105 105 GLU C C 13 176.223 0.300 . 1 . . . . 105 GLU C . 10103 1 1210 . 1 1 105 105 GLU CA C 13 56.428 0.300 . 1 . . . . 105 GLU CA . 10103 1 1211 . 1 1 105 105 GLU CB C 13 30.488 0.300 . 1 . . . . 105 GLU CB . 10103 1 1212 . 1 1 105 105 GLU CG C 13 36.161 0.300 . 1 . . . . 105 GLU CG . 10103 1 1213 . 1 1 105 105 GLU N N 15 121.927 0.300 . 1 . . . . 105 GLU N . 10103 1 1214 . 1 1 106 106 SER H H 1 8.402 0.030 . 1 . . . . 106 SER H . 10103 1 1215 . 1 1 106 106 SER HA H 1 4.473 0.030 . 1 . . . . 106 SER HA . 10103 1 1216 . 1 1 106 106 SER HB2 H 1 3.847 0.030 . 1 . . . . 106 SER HB2 . 10103 1 1217 . 1 1 106 106 SER HB3 H 1 3.847 0.030 . 1 . . . . 106 SER HB3 . 10103 1 1218 . 1 1 106 106 SER C C 13 174.576 0.300 . 1 . . . . 106 SER C . 10103 1 1219 . 1 1 106 106 SER CA C 13 58.384 0.300 . 1 . . . . 106 SER CA . 10103 1 1220 . 1 1 106 106 SER CB C 13 64.067 0.300 . 1 . . . . 106 SER CB . 10103 1 1221 . 1 1 106 106 SER N N 15 117.317 0.300 . 1 . . . . 106 SER N . 10103 1 1222 . 1 1 107 107 GLY H H 1 8.262 0.030 . 1 . . . . 107 GLY H . 10103 1 1223 . 1 1 107 107 GLY HA2 H 1 4.164 0.030 . 2 . . . . 107 GLY HA2 . 10103 1 1224 . 1 1 107 107 GLY HA3 H 1 4.083 0.030 . 2 . . . . 107 GLY HA3 . 10103 1 1225 . 1 1 107 107 GLY C C 13 171.789 0.300 . 1 . . . . 107 GLY C . 10103 1 1226 . 1 1 107 107 GLY CA C 13 44.698 0.300 . 1 . . . . 107 GLY CA . 10103 1 1227 . 1 1 107 107 GLY N N 15 110.779 0.300 . 1 . . . . 107 GLY N . 10103 1 1228 . 1 1 108 108 PRO HD2 H 1 3.640 0.030 . 1 . . . . 108 PRO HD2 . 10103 1 1229 . 1 1 108 108 PRO HD3 H 1 3.640 0.030 . 1 . . . . 108 PRO HD3 . 10103 1 stop_ save_