data_10268 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10268 _Entry.Title ; Solution structures of the CA domain of human protocadherin 9 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-15 _Entry.Accession_date 2008-12-15 _Entry.Last_release_date 2009-12-14 _Entry.Original_release_date 2009-12-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 M. Sato . . . 10268 2 S. Koshiba . . . 10268 3 S. Watanabe . . . 10268 4 T. Harada . . . 10268 5 T. Kigawa . . . 10268 6 S. Yokoyama . . . 10268 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10268 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10268 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 469 10268 '15N chemical shifts' 119 10268 '1H chemical shifts' 753 10268 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 . . 2009-12-14 2008-12-15 original author . 10268 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2EE0 'BMRB Entry Tracking System' 10268 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10268 _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 structures of the CA domain of human protocadherin 9' _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 M. Sato . . . 10268 1 2 S. Koshiba . . . 10268 1 3 S. Watanabe . . . 10268 1 4 T. Harada . . . 10268 1 5 T. Kigawa . . . 10268 1 6 S. Yokoyama . . . 10268 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10268 _Assembly.ID 1 _Assembly.Name Protocadherin-9 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'CA domain' 1 $entity_1 . . yes native no no . . . 10268 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 2EE0 . . . . . . 10268 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10268 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CA 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 ; GSSGSSGNDNRPVFKEGQVE VHIPENAPVGTSVIQLHATD ADIGSNAEIRYIFGAQVAPA TKRLFALNNTTGLITVQRSL DREETAIHKVTVLASDGSST PARATVTINVTDVN ; _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 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 2EE0 . "Solution Structures Of The Ca Domain Of Human Protocadherin 9" . . . . . 100.00 114 100.00 100.00 6.98e-75 . . . . 10268 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CA domain' . 10268 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 . 10268 1 2 . SER . 10268 1 3 . SER . 10268 1 4 . GLY . 10268 1 5 . SER . 10268 1 6 . SER . 10268 1 7 . GLY . 10268 1 8 . ASN . 10268 1 9 . ASP . 10268 1 10 . ASN . 10268 1 11 . ARG . 10268 1 12 . PRO . 10268 1 13 . VAL . 10268 1 14 . PHE . 10268 1 15 . LYS . 10268 1 16 . GLU . 10268 1 17 . GLY . 10268 1 18 . GLN . 10268 1 19 . VAL . 10268 1 20 . GLU . 10268 1 21 . VAL . 10268 1 22 . HIS . 10268 1 23 . ILE . 10268 1 24 . PRO . 10268 1 25 . GLU . 10268 1 26 . ASN . 10268 1 27 . ALA . 10268 1 28 . PRO . 10268 1 29 . VAL . 10268 1 30 . GLY . 10268 1 31 . THR . 10268 1 32 . SER . 10268 1 33 . VAL . 10268 1 34 . ILE . 10268 1 35 . GLN . 10268 1 36 . LEU . 10268 1 37 . HIS . 10268 1 38 . ALA . 10268 1 39 . THR . 10268 1 40 . ASP . 10268 1 41 . ALA . 10268 1 42 . ASP . 10268 1 43 . ILE . 10268 1 44 . GLY . 10268 1 45 . SER . 10268 1 46 . ASN . 10268 1 47 . ALA . 10268 1 48 . GLU . 10268 1 49 . ILE . 10268 1 50 . ARG . 10268 1 51 . TYR . 10268 1 52 . ILE . 10268 1 53 . PHE . 10268 1 54 . GLY . 10268 1 55 . ALA . 10268 1 56 . GLN . 10268 1 57 . VAL . 10268 1 58 . ALA . 10268 1 59 . PRO . 10268 1 60 . ALA . 10268 1 61 . THR . 10268 1 62 . LYS . 10268 1 63 . ARG . 10268 1 64 . LEU . 10268 1 65 . PHE . 10268 1 66 . ALA . 10268 1 67 . LEU . 10268 1 68 . ASN . 10268 1 69 . ASN . 10268 1 70 . THR . 10268 1 71 . THR . 10268 1 72 . GLY . 10268 1 73 . LEU . 10268 1 74 . ILE . 10268 1 75 . THR . 10268 1 76 . VAL . 10268 1 77 . GLN . 10268 1 78 . ARG . 10268 1 79 . SER . 10268 1 80 . LEU . 10268 1 81 . ASP . 10268 1 82 . ARG . 10268 1 83 . GLU . 10268 1 84 . GLU . 10268 1 85 . THR . 10268 1 86 . ALA . 10268 1 87 . ILE . 10268 1 88 . HIS . 10268 1 89 . LYS . 10268 1 90 . VAL . 10268 1 91 . THR . 10268 1 92 . VAL . 10268 1 93 . LEU . 10268 1 94 . ALA . 10268 1 95 . SER . 10268 1 96 . ASP . 10268 1 97 . GLY . 10268 1 98 . SER . 10268 1 99 . SER . 10268 1 100 . THR . 10268 1 101 . PRO . 10268 1 102 . ALA . 10268 1 103 . ARG . 10268 1 104 . ALA . 10268 1 105 . THR . 10268 1 106 . VAL . 10268 1 107 . THR . 10268 1 108 . ILE . 10268 1 109 . ASN . 10268 1 110 . VAL . 10268 1 111 . THR . 10268 1 112 . ASP . 10268 1 113 . VAL . 10268 1 114 . ASN . 10268 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 10268 1 . SER 2 2 10268 1 . SER 3 3 10268 1 . GLY 4 4 10268 1 . SER 5 5 10268 1 . SER 6 6 10268 1 . GLY 7 7 10268 1 . ASN 8 8 10268 1 . ASP 9 9 10268 1 . ASN 10 10 10268 1 . ARG 11 11 10268 1 . PRO 12 12 10268 1 . VAL 13 13 10268 1 . PHE 14 14 10268 1 . LYS 15 15 10268 1 . GLU 16 16 10268 1 . GLY 17 17 10268 1 . GLN 18 18 10268 1 . VAL 19 19 10268 1 . GLU 20 20 10268 1 . VAL 21 21 10268 1 . HIS 22 22 10268 1 . ILE 23 23 10268 1 . PRO 24 24 10268 1 . GLU 25 25 10268 1 . ASN 26 26 10268 1 . ALA 27 27 10268 1 . PRO 28 28 10268 1 . VAL 29 29 10268 1 . GLY 30 30 10268 1 . THR 31 31 10268 1 . SER 32 32 10268 1 . VAL 33 33 10268 1 . ILE 34 34 10268 1 . GLN 35 35 10268 1 . LEU 36 36 10268 1 . HIS 37 37 10268 1 . ALA 38 38 10268 1 . THR 39 39 10268 1 . ASP 40 40 10268 1 . ALA 41 41 10268 1 . ASP 42 42 10268 1 . ILE 43 43 10268 1 . GLY 44 44 10268 1 . SER 45 45 10268 1 . ASN 46 46 10268 1 . ALA 47 47 10268 1 . GLU 48 48 10268 1 . ILE 49 49 10268 1 . ARG 50 50 10268 1 . TYR 51 51 10268 1 . ILE 52 52 10268 1 . PHE 53 53 10268 1 . GLY 54 54 10268 1 . ALA 55 55 10268 1 . GLN 56 56 10268 1 . VAL 57 57 10268 1 . ALA 58 58 10268 1 . PRO 59 59 10268 1 . ALA 60 60 10268 1 . THR 61 61 10268 1 . LYS 62 62 10268 1 . ARG 63 63 10268 1 . LEU 64 64 10268 1 . PHE 65 65 10268 1 . ALA 66 66 10268 1 . LEU 67 67 10268 1 . ASN 68 68 10268 1 . ASN 69 69 10268 1 . THR 70 70 10268 1 . THR 71 71 10268 1 . GLY 72 72 10268 1 . LEU 73 73 10268 1 . ILE 74 74 10268 1 . THR 75 75 10268 1 . VAL 76 76 10268 1 . GLN 77 77 10268 1 . ARG 78 78 10268 1 . SER 79 79 10268 1 . LEU 80 80 10268 1 . ASP 81 81 10268 1 . ARG 82 82 10268 1 . GLU 83 83 10268 1 . GLU 84 84 10268 1 . THR 85 85 10268 1 . ALA 86 86 10268 1 . ILE 87 87 10268 1 . HIS 88 88 10268 1 . LYS 89 89 10268 1 . VAL 90 90 10268 1 . THR 91 91 10268 1 . VAL 92 92 10268 1 . LEU 93 93 10268 1 . ALA 94 94 10268 1 . SER 95 95 10268 1 . ASP 96 96 10268 1 . GLY 97 97 10268 1 . SER 98 98 10268 1 . SER 99 99 10268 1 . THR 100 100 10268 1 . PRO 101 101 10268 1 . ALA 102 102 10268 1 . ARG 103 103 10268 1 . ALA 104 104 10268 1 . THR 105 105 10268 1 . VAL 106 106 10268 1 . THR 107 107 10268 1 . ILE 108 108 10268 1 . ASN 109 109 10268 1 . VAL 110 110 10268 1 . THR 111 111 10268 1 . ASP 112 112 10268 1 . VAL 113 113 10268 1 . ASN 114 114 10268 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 10268 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10268 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 10268 _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 . . P060417-18 . . . . . . 10268 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10268 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CA domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1 . . mM . . . . 10268 1 2 'd-Tris HCl' . . . . . . buffer 20 . . mM . . . . 10268 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10268 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10268 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10268 1 6 H2O . . . . . . solvent 90 . . % . . . . 10268 1 7 D2O . . . . . . solvent 10 . . % . . . . 10268 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 10268 _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 10268 1 pH 7.0 0.05 pH 10268 1 pressure 1 0.001 atm 10268 1 temperature 296 0.1 K 10268 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10268 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 10268 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10268 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10268 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10268 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10268 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10268 _Software.ID 3 _Software.Name NMRView _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10268 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10268 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10268 _Software.ID 4 _Software.Name Kujira _Software.Version 0.932 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10268 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10268 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10268 _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.' . . 10268 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10268 5 'structure solution' 10268 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 10268 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 10268 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AVANCE . 800 . . . 10268 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 10268 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10268 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10268 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 10268 _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 . . . . . . . . . 10268 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10268 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10268 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 10268 _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 10268 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10268 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 1 1 GLY HA2 H 1 4.016 0.030 . 2 . . . . 1 GLY HA2 . 10268 1 2 . 1 1 1 1 GLY C C 13 174.346 0.300 . 1 . . . . 1 GLY C . 10268 1 3 . 1 1 1 1 GLY CA C 13 45.466 0.300 . 1 . . . . 1 GLY CA . 10268 1 4 . 1 1 2 2 SER H H 1 8.289 0.030 . 1 . . . . 2 SER H . 10268 1 5 . 1 1 2 2 SER HA H 1 4.530 0.030 . 1 . . . . 2 SER HA . 10268 1 6 . 1 1 2 2 SER HB3 H 1 3.879 0.030 . 2 . . . . 2 SER HB3 . 10268 1 7 . 1 1 2 2 SER C C 13 174.868 0.300 . 1 . . . . 2 SER C . 10268 1 8 . 1 1 2 2 SER CA C 13 58.284 0.300 . 1 . . . . 2 SER CA . 10268 1 9 . 1 1 2 2 SER CB C 13 63.769 0.300 . 1 . . . . 2 SER CB . 10268 1 10 . 1 1 2 2 SER N N 15 115.842 0.300 . 1 . . . . 2 SER N . 10268 1 11 . 1 1 3 3 SER H H 1 8.490 0.030 . 1 . . . . 3 SER H . 10268 1 12 . 1 1 3 3 SER HA H 1 4.496 0.030 . 1 . . . . 3 SER HA . 10268 1 13 . 1 1 3 3 SER HB3 H 1 3.913 0.030 . 2 . . . . 3 SER HB3 . 10268 1 14 . 1 1 3 3 SER C C 13 175.043 0.300 . 1 . . . . 3 SER C . 10268 1 15 . 1 1 3 3 SER CA C 13 58.549 0.300 . 1 . . . . 3 SER CA . 10268 1 16 . 1 1 3 3 SER CB C 13 63.687 0.300 . 1 . . . . 3 SER CB . 10268 1 17 . 1 1 3 3 SER N N 15 117.930 0.300 . 1 . . . . 3 SER N . 10268 1 18 . 1 1 4 4 GLY H H 1 8.482 0.030 . 1 . . . . 4 GLY H . 10268 1 19 . 1 1 4 4 GLY C C 13 174.344 0.300 . 1 . . . . 4 GLY C . 10268 1 20 . 1 1 4 4 GLY CA C 13 45.536 0.300 . 1 . . . . 4 GLY CA . 10268 1 21 . 1 1 4 4 GLY N N 15 110.985 0.300 . 1 . . . . 4 GLY N . 10268 1 22 . 1 1 6 6 SER HA H 1 4.508 0.030 . 1 . . . . 6 SER HA . 10268 1 23 . 1 1 6 6 SER HB3 H 1 3.913 0.030 . 2 . . . . 6 SER HB3 . 10268 1 24 . 1 1 6 6 SER C C 13 175.026 0.300 . 1 . . . . 6 SER C . 10268 1 25 . 1 1 6 6 SER CA C 13 58.584 0.300 . 1 . . . . 6 SER CA . 10268 1 26 . 1 1 6 6 SER CB C 13 63.646 0.300 . 1 . . . . 6 SER CB . 10268 1 27 . 1 1 7 7 GLY H H 1 8.419 0.030 . 1 . . . . 7 GLY H . 10268 1 28 . 1 1 7 7 GLY HA2 H 1 3.993 0.030 . 2 . . . . 7 GLY HA2 . 10268 1 29 . 1 1 7 7 GLY C C 13 173.995 0.300 . 1 . . . . 7 GLY C . 10268 1 30 . 1 1 7 7 GLY CA C 13 45.466 0.300 . 1 . . . . 7 GLY CA . 10268 1 31 . 1 1 7 7 GLY N N 15 110.615 0.300 . 1 . . . . 7 GLY N . 10268 1 32 . 1 1 8 8 ASN H H 1 8.322 0.030 . 1 . . . . 8 ASN H . 10268 1 33 . 1 1 8 8 ASN HA H 1 4.736 0.030 . 1 . . . . 8 ASN HA . 10268 1 34 . 1 1 8 8 ASN HB2 H 1 2.822 0.030 . 2 . . . . 8 ASN HB2 . 10268 1 35 . 1 1 8 8 ASN HB3 H 1 2.713 0.030 . 2 . . . . 8 ASN HB3 . 10268 1 36 . 1 1 8 8 ASN HD21 H 1 7.649 0.030 . 2 . . . . 8 ASN HD21 . 10268 1 37 . 1 1 8 8 ASN HD22 H 1 6.973 0.030 . 2 . . . . 8 ASN HD22 . 10268 1 38 . 1 1 8 8 ASN C C 13 174.907 0.300 . 1 . . . . 8 ASN C . 10268 1 39 . 1 1 8 8 ASN CA C 13 53.259 0.300 . 1 . . . . 8 ASN CA . 10268 1 40 . 1 1 8 8 ASN CB C 13 39.127 0.300 . 1 . . . . 8 ASN CB . 10268 1 41 . 1 1 8 8 ASN N N 15 118.602 0.300 . 1 . . . . 8 ASN N . 10268 1 42 . 1 1 8 8 ASN ND2 N 15 112.743 0.300 . 1 . . . . 8 ASN ND2 . 10268 1 43 . 1 1 9 9 ASP H H 1 8.370 0.030 . 1 . . . . 9 ASP H . 10268 1 44 . 1 1 9 9 ASP HA H 1 4.594 0.030 . 1 . . . . 9 ASP HA . 10268 1 45 . 1 1 9 9 ASP HB2 H 1 2.720 0.030 . 2 . . . . 9 ASP HB2 . 10268 1 46 . 1 1 9 9 ASP HB3 H 1 2.615 0.030 . 2 . . . . 9 ASP HB3 . 10268 1 47 . 1 1 9 9 ASP C C 13 175.765 0.300 . 1 . . . . 9 ASP C . 10268 1 48 . 1 1 9 9 ASP CA C 13 54.440 0.300 . 1 . . . . 9 ASP CA . 10268 1 49 . 1 1 9 9 ASP CB C 13 40.898 0.300 . 1 . . . . 9 ASP CB . 10268 1 50 . 1 1 9 9 ASP N N 15 120.504 0.300 . 1 . . . . 9 ASP N . 10268 1 51 . 1 1 10 10 ASN H H 1 8.382 0.030 . 1 . . . . 10 ASN H . 10268 1 52 . 1 1 10 10 ASN HA H 1 4.691 0.030 . 1 . . . . 10 ASN HA . 10268 1 53 . 1 1 10 10 ASN HB2 H 1 2.830 0.030 . 2 . . . . 10 ASN HB2 . 10268 1 54 . 1 1 10 10 ASN HB3 H 1 2.721 0.030 . 2 . . . . 10 ASN HB3 . 10268 1 55 . 1 1 10 10 ASN HD21 H 1 7.647 0.030 . 2 . . . . 10 ASN HD21 . 10268 1 56 . 1 1 10 10 ASN HD22 H 1 6.970 0.030 . 2 . . . . 10 ASN HD22 . 10268 1 57 . 1 1 10 10 ASN C C 13 174.383 0.300 . 1 . . . . 10 ASN C . 10268 1 58 . 1 1 10 10 ASN CA C 13 53.241 0.300 . 1 . . . . 10 ASN CA . 10268 1 59 . 1 1 10 10 ASN CB C 13 38.674 0.300 . 1 . . . . 10 ASN CB . 10268 1 60 . 1 1 10 10 ASN N N 15 119.406 0.300 . 1 . . . . 10 ASN N . 10268 1 61 . 1 1 10 10 ASN ND2 N 15 112.695 0.300 . 1 . . . . 10 ASN ND2 . 10268 1 62 . 1 1 11 11 ARG H H 1 7.942 0.030 . 1 . . . . 11 ARG H . 10268 1 63 . 1 1 11 11 ARG HA H 1 4.684 0.030 . 1 . . . . 11 ARG HA . 10268 1 64 . 1 1 11 11 ARG HB2 H 1 1.837 0.030 . 2 . . . . 11 ARG HB2 . 10268 1 65 . 1 1 11 11 ARG HB3 H 1 1.778 0.030 . 2 . . . . 11 ARG HB3 . 10268 1 66 . 1 1 11 11 ARG HD2 H 1 3.174 0.030 . 1 . . . . 11 ARG HD2 . 10268 1 67 . 1 1 11 11 ARG HD3 H 1 3.174 0.030 . 1 . . . . 11 ARG HD3 . 10268 1 68 . 1 1 11 11 ARG HG2 H 1 1.649 0.030 . 1 . . . . 11 ARG HG2 . 10268 1 69 . 1 1 11 11 ARG HG3 H 1 1.649 0.030 . 1 . . . . 11 ARG HG3 . 10268 1 70 . 1 1 11 11 ARG C C 13 173.640 0.300 . 1 . . . . 11 ARG C . 10268 1 71 . 1 1 11 11 ARG CA C 13 54.246 0.300 . 1 . . . . 11 ARG CA . 10268 1 72 . 1 1 11 11 ARG CB C 13 30.337 0.300 . 1 . . . . 11 ARG CB . 10268 1 73 . 1 1 11 11 ARG CD C 13 43.656 0.300 . 1 . . . . 11 ARG CD . 10268 1 74 . 1 1 11 11 ARG CG C 13 26.287 0.300 . 1 . . . . 11 ARG CG . 10268 1 75 . 1 1 11 11 ARG N N 15 121.145 0.300 . 1 . . . . 11 ARG N . 10268 1 76 . 1 1 12 12 PRO HA H 1 4.507 0.030 . 1 . . . . 12 PRO HA . 10268 1 77 . 1 1 12 12 PRO HB2 H 1 1.855 0.030 . 2 . . . . 12 PRO HB2 . 10268 1 78 . 1 1 12 12 PRO HB3 H 1 1.440 0.030 . 2 . . . . 12 PRO HB3 . 10268 1 79 . 1 1 12 12 PRO HD2 H 1 3.782 0.030 . 2 . . . . 12 PRO HD2 . 10268 1 80 . 1 1 12 12 PRO HD3 H 1 3.581 0.030 . 2 . . . . 12 PRO HD3 . 10268 1 81 . 1 1 12 12 PRO HG2 H 1 1.826 0.030 . 2 . . . . 12 PRO HG2 . 10268 1 82 . 1 1 12 12 PRO HG3 H 1 1.745 0.030 . 2 . . . . 12 PRO HG3 . 10268 1 83 . 1 1 12 12 PRO CA C 13 62.714 0.300 . 1 . . . . 12 PRO CA . 10268 1 84 . 1 1 12 12 PRO CB C 13 31.942 0.300 . 1 . . . . 12 PRO CB . 10268 1 85 . 1 1 12 12 PRO CD C 13 50.478 0.300 . 1 . . . . 12 PRO CD . 10268 1 86 . 1 1 12 12 PRO CG C 13 27.615 0.300 . 1 . . . . 12 PRO CG . 10268 1 87 . 1 1 13 13 VAL H H 1 8.252 0.030 . 1 . . . . 13 VAL H . 10268 1 88 . 1 1 13 13 VAL HA H 1 4.159 0.030 . 1 . . . . 13 VAL HA . 10268 1 89 . 1 1 13 13 VAL HB H 1 1.915 0.030 . 1 . . . . 13 VAL HB . 10268 1 90 . 1 1 13 13 VAL HG11 H 1 0.855 0.030 . 1 . . . . 13 VAL HG1 . 10268 1 91 . 1 1 13 13 VAL HG12 H 1 0.855 0.030 . 1 . . . . 13 VAL HG1 . 10268 1 92 . 1 1 13 13 VAL HG13 H 1 0.855 0.030 . 1 . . . . 13 VAL HG1 . 10268 1 93 . 1 1 13 13 VAL HG21 H 1 0.808 0.030 . 1 . . . . 13 VAL HG2 . 10268 1 94 . 1 1 13 13 VAL HG22 H 1 0.808 0.030 . 1 . . . . 13 VAL HG2 . 10268 1 95 . 1 1 13 13 VAL HG23 H 1 0.808 0.030 . 1 . . . . 13 VAL HG2 . 10268 1 96 . 1 1 13 13 VAL CA C 13 61.409 0.300 . 1 . . . . 13 VAL CA . 10268 1 97 . 1 1 13 13 VAL CB C 13 34.858 0.300 . 1 . . . . 13 VAL CB . 10268 1 98 . 1 1 13 13 VAL CG1 C 13 20.662 0.300 . 2 . . . . 13 VAL CG1 . 10268 1 99 . 1 1 13 13 VAL CG2 C 13 21.122 0.300 . 2 . . . . 13 VAL CG2 . 10268 1 100 . 1 1 13 13 VAL N N 15 118.395 0.300 . 1 . . . . 13 VAL N . 10268 1 101 . 1 1 14 14 PHE H H 1 8.725 0.030 . 1 . . . . 14 PHE H . 10268 1 102 . 1 1 14 14 PHE HA H 1 4.781 0.030 . 1 . . . . 14 PHE HA . 10268 1 103 . 1 1 14 14 PHE HB2 H 1 2.927 0.030 . 2 . . . . 14 PHE HB2 . 10268 1 104 . 1 1 14 14 PHE HB3 H 1 2.781 0.030 . 2 . . . . 14 PHE HB3 . 10268 1 105 . 1 1 14 14 PHE HD1 H 1 7.220 0.030 . 1 . . . . 14 PHE HD1 . 10268 1 106 . 1 1 14 14 PHE HD2 H 1 7.220 0.030 . 1 . . . . 14 PHE HD2 . 10268 1 107 . 1 1 14 14 PHE HE1 H 1 7.106 0.030 . 1 . . . . 14 PHE HE1 . 10268 1 108 . 1 1 14 14 PHE HE2 H 1 7.106 0.030 . 1 . . . . 14 PHE HE2 . 10268 1 109 . 1 1 14 14 PHE HZ H 1 6.965 0.030 . 1 . . . . 14 PHE HZ . 10268 1 110 . 1 1 14 14 PHE CA C 13 58.594 0.300 . 1 . . . . 14 PHE CA . 10268 1 111 . 1 1 14 14 PHE CB C 13 39.594 0.300 . 1 . . . . 14 PHE CB . 10268 1 112 . 1 1 14 14 PHE CD1 C 13 132.260 0.300 . 1 . . . . 14 PHE CD1 . 10268 1 113 . 1 1 14 14 PHE CD2 C 13 132.260 0.300 . 1 . . . . 14 PHE CD2 . 10268 1 114 . 1 1 14 14 PHE CE1 C 13 131.294 0.300 . 1 . . . . 14 PHE CE1 . 10268 1 115 . 1 1 14 14 PHE CE2 C 13 131.294 0.300 . 1 . . . . 14 PHE CE2 . 10268 1 116 . 1 1 14 14 PHE CZ C 13 129.217 0.300 . 1 . . . . 14 PHE CZ . 10268 1 117 . 1 1 14 14 PHE N N 15 122.950 0.300 . 1 . . . . 14 PHE N . 10268 1 118 . 1 1 15 15 LYS H H 1 8.885 0.030 . 1 . . . . 15 LYS H . 10268 1 119 . 1 1 15 15 LYS HA H 1 4.130 0.030 . 1 . . . . 15 LYS HA . 10268 1 120 . 1 1 15 15 LYS HB2 H 1 1.936 0.030 . 1 . . . . 15 LYS HB2 . 10268 1 121 . 1 1 15 15 LYS HB3 H 1 1.936 0.030 . 1 . . . . 15 LYS HB3 . 10268 1 122 . 1 1 15 15 LYS HD2 H 1 1.700 0.030 . 1 . . . . 15 LYS HD2 . 10268 1 123 . 1 1 15 15 LYS HD3 H 1 1.700 0.030 . 1 . . . . 15 LYS HD3 . 10268 1 124 . 1 1 15 15 LYS HE2 H 1 2.969 0.030 . 1 . . . . 15 LYS HE2 . 10268 1 125 . 1 1 15 15 LYS HE3 H 1 2.969 0.030 . 1 . . . . 15 LYS HE3 . 10268 1 126 . 1 1 15 15 LYS HG2 H 1 1.543 0.030 . 2 . . . . 15 LYS HG2 . 10268 1 127 . 1 1 15 15 LYS HG3 H 1 1.461 0.030 . 2 . . . . 15 LYS HG3 . 10268 1 128 . 1 1 15 15 LYS C C 13 177.027 0.300 . 1 . . . . 15 LYS C . 10268 1 129 . 1 1 15 15 LYS CA C 13 58.478 0.300 . 1 . . . . 15 LYS CA . 10268 1 130 . 1 1 15 15 LYS CB C 13 32.748 0.300 . 1 . . . . 15 LYS CB . 10268 1 131 . 1 1 15 15 LYS CD C 13 29.102 0.300 . 1 . . . . 15 LYS CD . 10268 1 132 . 1 1 15 15 LYS CE C 13 42.044 0.300 . 1 . . . . 15 LYS CE . 10268 1 133 . 1 1 15 15 LYS CG C 13 24.993 0.300 . 1 . . . . 15 LYS CG . 10268 1 134 . 1 1 15 15 LYS N N 15 123.863 0.300 . 1 . . . . 15 LYS N . 10268 1 135 . 1 1 16 16 GLU H H 1 8.091 0.030 . 1 . . . . 16 GLU H . 10268 1 136 . 1 1 16 16 GLU HA H 1 4.438 0.030 . 1 . . . . 16 GLU HA . 10268 1 137 . 1 1 16 16 GLU HB2 H 1 1.959 0.030 . 2 . . . . 16 GLU HB2 . 10268 1 138 . 1 1 16 16 GLU HB3 H 1 1.913 0.030 . 2 . . . . 16 GLU HB3 . 10268 1 139 . 1 1 16 16 GLU HG2 H 1 2.238 0.030 . 1 . . . . 16 GLU HG2 . 10268 1 140 . 1 1 16 16 GLU HG3 H 1 2.238 0.030 . 1 . . . . 16 GLU HG3 . 10268 1 141 . 1 1 16 16 GLU C C 13 175.947 0.300 . 1 . . . . 16 GLU C . 10268 1 142 . 1 1 16 16 GLU CA C 13 56.045 0.300 . 1 . . . . 16 GLU CA . 10268 1 143 . 1 1 16 16 GLU CB C 13 30.766 0.300 . 1 . . . . 16 GLU CB . 10268 1 144 . 1 1 16 16 GLU CG C 13 36.284 0.300 . 1 . . . . 16 GLU CG . 10268 1 145 . 1 1 16 16 GLU N N 15 117.026 0.300 . 1 . . . . 16 GLU N . 10268 1 146 . 1 1 17 17 GLY H H 1 8.421 0.030 . 1 . . . . 17 GLY H . 10268 1 147 . 1 1 17 17 GLY HA2 H 1 3.993 0.030 . 2 . . . . 17 GLY HA2 . 10268 1 148 . 1 1 17 17 GLY HA3 H 1 3.913 0.030 . 2 . . . . 17 GLY HA3 . 10268 1 149 . 1 1 17 17 GLY C C 13 173.564 0.300 . 1 . . . . 17 GLY C . 10268 1 150 . 1 1 17 17 GLY CA C 13 45.448 0.300 . 1 . . . . 17 GLY CA . 10268 1 151 . 1 1 17 17 GLY N N 15 109.577 0.300 . 1 . . . . 17 GLY N . 10268 1 152 . 1 1 18 18 GLN H H 1 7.858 0.030 . 1 . . . . 18 GLN H . 10268 1 153 . 1 1 18 18 GLN HA H 1 5.065 0.030 . 1 . . . . 18 GLN HA . 10268 1 154 . 1 1 18 18 GLN HB2 H 1 2.014 0.030 . 2 . . . . 18 GLN HB2 . 10268 1 155 . 1 1 18 18 GLN HB3 H 1 1.949 0.030 . 2 . . . . 18 GLN HB3 . 10268 1 156 . 1 1 18 18 GLN HE21 H 1 7.508 0.030 . 2 . . . . 18 GLN HE21 . 10268 1 157 . 1 1 18 18 GLN HE22 H 1 6.782 0.030 . 2 . . . . 18 GLN HE22 . 10268 1 158 . 1 1 18 18 GLN HG2 H 1 2.273 0.030 . 1 . . . . 18 GLN HG2 . 10268 1 159 . 1 1 18 18 GLN HG3 H 1 2.273 0.030 . 1 . . . . 18 GLN HG3 . 10268 1 160 . 1 1 18 18 GLN C C 13 174.596 0.300 . 1 . . . . 18 GLN C . 10268 1 161 . 1 1 18 18 GLN CA C 13 55.110 0.300 . 1 . . . . 18 GLN CA . 10268 1 162 . 1 1 18 18 GLN CB C 13 30.329 0.300 . 1 . . . . 18 GLN CB . 10268 1 163 . 1 1 18 18 GLN CG C 13 33.657 0.300 . 1 . . . . 18 GLN CG . 10268 1 164 . 1 1 18 18 GLN N N 15 120.202 0.300 . 1 . . . . 18 GLN N . 10268 1 165 . 1 1 18 18 GLN NE2 N 15 111.863 0.300 . 1 . . . . 18 GLN NE2 . 10268 1 166 . 1 1 19 19 VAL H H 1 8.216 0.030 . 1 . . . . 19 VAL H . 10268 1 167 . 1 1 19 19 VAL HA H 1 4.450 0.030 . 1 . . . . 19 VAL HA . 10268 1 168 . 1 1 19 19 VAL HB H 1 1.877 0.030 . 1 . . . . 19 VAL HB . 10268 1 169 . 1 1 19 19 VAL HG11 H 1 0.808 0.030 . 1 . . . . 19 VAL HG1 . 10268 1 170 . 1 1 19 19 VAL HG12 H 1 0.808 0.030 . 1 . . . . 19 VAL HG1 . 10268 1 171 . 1 1 19 19 VAL HG13 H 1 0.808 0.030 . 1 . . . . 19 VAL HG1 . 10268 1 172 . 1 1 19 19 VAL HG21 H 1 0.775 0.030 . 1 . . . . 19 VAL HG2 . 10268 1 173 . 1 1 19 19 VAL HG22 H 1 0.775 0.030 . 1 . . . . 19 VAL HG2 . 10268 1 174 . 1 1 19 19 VAL HG23 H 1 0.775 0.030 . 1 . . . . 19 VAL HG2 . 10268 1 175 . 1 1 19 19 VAL C C 13 173.648 0.300 . 1 . . . . 19 VAL C . 10268 1 176 . 1 1 19 19 VAL CA C 13 60.788 0.300 . 1 . . . . 19 VAL CA . 10268 1 177 . 1 1 19 19 VAL CB C 13 35.336 0.300 . 1 . . . . 19 VAL CB . 10268 1 178 . 1 1 19 19 VAL CG1 C 13 21.644 0.300 . 2 . . . . 19 VAL CG1 . 10268 1 179 . 1 1 19 19 VAL CG2 C 13 20.707 0.300 . 2 . . . . 19 VAL CG2 . 10268 1 180 . 1 1 19 19 VAL N N 15 121.257 0.300 . 1 . . . . 19 VAL N . 10268 1 181 . 1 1 20 20 GLU H H 1 8.610 0.030 . 1 . . . . 20 GLU H . 10268 1 182 . 1 1 20 20 GLU HA H 1 5.211 0.030 . 1 . . . . 20 GLU HA . 10268 1 183 . 1 1 20 20 GLU HB2 H 1 1.876 0.030 . 1 . . . . 20 GLU HB2 . 10268 1 184 . 1 1 20 20 GLU HB3 H 1 1.876 0.030 . 1 . . . . 20 GLU HB3 . 10268 1 185 . 1 1 20 20 GLU HG2 H 1 2.026 0.030 . 2 . . . . 20 GLU HG2 . 10268 1 186 . 1 1 20 20 GLU HG3 H 1 1.920 0.030 . 2 . . . . 20 GLU HG3 . 10268 1 187 . 1 1 20 20 GLU C C 13 174.783 0.300 . 1 . . . . 20 GLU C . 10268 1 188 . 1 1 20 20 GLU CA C 13 54.793 0.300 . 1 . . . . 20 GLU CA . 10268 1 189 . 1 1 20 20 GLU CB C 13 32.058 0.300 . 1 . . . . 20 GLU CB . 10268 1 190 . 1 1 20 20 GLU CG C 13 36.136 0.300 . 1 . . . . 20 GLU CG . 10268 1 191 . 1 1 20 20 GLU N N 15 127.095 0.300 . 1 . . . . 20 GLU N . 10268 1 192 . 1 1 21 21 VAL H H 1 8.727 0.030 . 1 . . . . 21 VAL H . 10268 1 193 . 1 1 21 21 VAL HA H 1 4.633 0.030 . 1 . . . . 21 VAL HA . 10268 1 194 . 1 1 21 21 VAL HB H 1 1.928 0.030 . 1 . . . . 21 VAL HB . 10268 1 195 . 1 1 21 21 VAL HG11 H 1 0.810 0.030 . 1 . . . . 21 VAL HG1 . 10268 1 196 . 1 1 21 21 VAL HG12 H 1 0.810 0.030 . 1 . . . . 21 VAL HG1 . 10268 1 197 . 1 1 21 21 VAL HG13 H 1 0.810 0.030 . 1 . . . . 21 VAL HG1 . 10268 1 198 . 1 1 21 21 VAL HG21 H 1 0.669 0.030 . 1 . . . . 21 VAL HG2 . 10268 1 199 . 1 1 21 21 VAL HG22 H 1 0.669 0.030 . 1 . . . . 21 VAL HG2 . 10268 1 200 . 1 1 21 21 VAL HG23 H 1 0.669 0.030 . 1 . . . . 21 VAL HG2 . 10268 1 201 . 1 1 21 21 VAL C C 13 173.894 0.300 . 1 . . . . 21 VAL C . 10268 1 202 . 1 1 21 21 VAL CA C 13 59.695 0.300 . 1 . . . . 21 VAL CA . 10268 1 203 . 1 1 21 21 VAL CB C 13 35.865 0.300 . 1 . . . . 21 VAL CB . 10268 1 204 . 1 1 21 21 VAL CG1 C 13 21.817 0.300 . 2 . . . . 21 VAL CG1 . 10268 1 205 . 1 1 21 21 VAL CG2 C 13 20.705 0.300 . 2 . . . . 21 VAL CG2 . 10268 1 206 . 1 1 21 21 VAL N N 15 120.489 0.300 . 1 . . . . 21 VAL N . 10268 1 207 . 1 1 22 22 HIS H H 1 8.680 0.030 . 1 . . . . 22 HIS H . 10268 1 208 . 1 1 22 22 HIS HA H 1 5.552 0.030 . 1 . . . . 22 HIS HA . 10268 1 209 . 1 1 22 22 HIS HB2 H 1 2.983 0.030 . 2 . . . . 22 HIS HB2 . 10268 1 210 . 1 1 22 22 HIS HB3 H 1 2.945 0.030 . 2 . . . . 22 HIS HB3 . 10268 1 211 . 1 1 22 22 HIS HD2 H 1 6.884 0.030 . 1 . . . . 22 HIS HD2 . 10268 1 212 . 1 1 22 22 HIS C C 13 174.298 0.300 . 1 . . . . 22 HIS C . 10268 1 213 . 1 1 22 22 HIS CA C 13 55.331 0.300 . 1 . . . . 22 HIS CA . 10268 1 214 . 1 1 22 22 HIS CB C 13 32.369 0.300 . 1 . . . . 22 HIS CB . 10268 1 215 . 1 1 22 22 HIS CD2 C 13 119.104 0.300 . 1 . . . . 22 HIS CD2 . 10268 1 216 . 1 1 22 22 HIS N N 15 124.991 0.300 . 1 . . . . 22 HIS N . 10268 1 217 . 1 1 23 23 ILE H H 1 9.179 0.030 . 1 . . . . 23 ILE H . 10268 1 218 . 1 1 23 23 ILE HA H 1 5.046 0.030 . 1 . . . . 23 ILE HA . 10268 1 219 . 1 1 23 23 ILE HB H 1 1.749 0.030 . 1 . . . . 23 ILE HB . 10268 1 220 . 1 1 23 23 ILE HD11 H 1 0.883 0.030 . 1 . . . . 23 ILE HD1 . 10268 1 221 . 1 1 23 23 ILE HD12 H 1 0.883 0.030 . 1 . . . . 23 ILE HD1 . 10268 1 222 . 1 1 23 23 ILE HD13 H 1 0.883 0.030 . 1 . . . . 23 ILE HD1 . 10268 1 223 . 1 1 23 23 ILE HG12 H 1 1.524 0.030 . 2 . . . . 23 ILE HG12 . 10268 1 224 . 1 1 23 23 ILE HG13 H 1 1.207 0.030 . 2 . . . . 23 ILE HG13 . 10268 1 225 . 1 1 23 23 ILE HG21 H 1 0.908 0.030 . 1 . . . . 23 ILE HG2 . 10268 1 226 . 1 1 23 23 ILE HG22 H 1 0.908 0.030 . 1 . . . . 23 ILE HG2 . 10268 1 227 . 1 1 23 23 ILE HG23 H 1 0.908 0.030 . 1 . . . . 23 ILE HG2 . 10268 1 228 . 1 1 23 23 ILE C C 13 171.552 0.300 . 1 . . . . 23 ILE C . 10268 1 229 . 1 1 23 23 ILE CA C 13 55.551 0.300 . 1 . . . . 23 ILE CA . 10268 1 230 . 1 1 23 23 ILE CB C 13 42.053 0.300 . 1 . . . . 23 ILE CB . 10268 1 231 . 1 1 23 23 ILE CD1 C 13 14.568 0.300 . 1 . . . . 23 ILE CD1 . 10268 1 232 . 1 1 23 23 ILE CG1 C 13 27.150 0.300 . 1 . . . . 23 ILE CG1 . 10268 1 233 . 1 1 23 23 ILE CG2 C 13 17.474 0.300 . 1 . . . . 23 ILE CG2 . 10268 1 234 . 1 1 23 23 ILE N N 15 123.121 0.300 . 1 . . . . 23 ILE N . 10268 1 235 . 1 1 24 24 PRO HA H 1 4.816 0.030 . 1 . . . . 24 PRO HA . 10268 1 236 . 1 1 24 24 PRO HB2 H 1 2.223 0.030 . 2 . . . . 24 PRO HB2 . 10268 1 237 . 1 1 24 24 PRO HB3 H 1 2.063 0.030 . 2 . . . . 24 PRO HB3 . 10268 1 238 . 1 1 24 24 PRO HD2 H 1 3.841 0.030 . 2 . . . . 24 PRO HD2 . 10268 1 239 . 1 1 24 24 PRO HD3 H 1 3.773 0.030 . 2 . . . . 24 PRO HD3 . 10268 1 240 . 1 1 24 24 PRO HG2 H 1 2.040 0.030 . 1 . . . . 24 PRO HG2 . 10268 1 241 . 1 1 24 24 PRO HG3 H 1 2.040 0.030 . 1 . . . . 24 PRO HG3 . 10268 1 242 . 1 1 24 24 PRO C C 13 178.887 0.300 . 1 . . . . 24 PRO C . 10268 1 243 . 1 1 24 24 PRO CA C 13 62.216 0.300 . 1 . . . . 24 PRO CA . 10268 1 244 . 1 1 24 24 PRO CB C 13 32.895 0.300 . 1 . . . . 24 PRO CB . 10268 1 245 . 1 1 24 24 PRO CD C 13 50.979 0.300 . 1 . . . . 24 PRO CD . 10268 1 246 . 1 1 24 24 PRO CG C 13 27.795 0.300 . 1 . . . . 24 PRO CG . 10268 1 247 . 1 1 25 25 GLU H H 1 8.399 0.030 . 1 . . . . 25 GLU H . 10268 1 248 . 1 1 25 25 GLU HA H 1 3.785 0.030 . 1 . . . . 25 GLU HA . 10268 1 249 . 1 1 25 25 GLU HB2 H 1 2.093 0.030 . 2 . . . . 25 GLU HB2 . 10268 1 250 . 1 1 25 25 GLU HB3 H 1 1.917 0.030 . 2 . . . . 25 GLU HB3 . 10268 1 251 . 1 1 25 25 GLU HG2 H 1 2.399 0.030 . 2 . . . . 25 GLU HG2 . 10268 1 252 . 1 1 25 25 GLU HG3 H 1 1.927 0.030 . 2 . . . . 25 GLU HG3 . 10268 1 253 . 1 1 25 25 GLU C C 13 175.244 0.300 . 1 . . . . 25 GLU C . 10268 1 254 . 1 1 25 25 GLU CA C 13 58.425 0.300 . 1 . . . . 25 GLU CA . 10268 1 255 . 1 1 25 25 GLU CB C 13 30.011 0.300 . 1 . . . . 25 GLU CB . 10268 1 256 . 1 1 25 25 GLU CG C 13 36.366 0.300 . 1 . . . . 25 GLU CG . 10268 1 257 . 1 1 25 25 GLU N N 15 117.706 0.300 . 1 . . . . 25 GLU N . 10268 1 258 . 1 1 26 26 ASN H H 1 7.488 0.030 . 1 . . . . 26 ASN H . 10268 1 259 . 1 1 26 26 ASN HA H 1 4.702 0.030 . 1 . . . . 26 ASN HA . 10268 1 260 . 1 1 26 26 ASN HB2 H 1 3.221 0.030 . 2 . . . . 26 ASN HB2 . 10268 1 261 . 1 1 26 26 ASN HB3 H 1 2.743 0.030 . 2 . . . . 26 ASN HB3 . 10268 1 262 . 1 1 26 26 ASN HD21 H 1 7.698 0.030 . 2 . . . . 26 ASN HD21 . 10268 1 263 . 1 1 26 26 ASN HD22 H 1 6.965 0.030 . 2 . . . . 26 ASN HD22 . 10268 1 264 . 1 1 26 26 ASN C C 13 175.425 0.300 . 1 . . . . 26 ASN C . 10268 1 265 . 1 1 26 26 ASN CA C 13 51.584 0.300 . 1 . . . . 26 ASN CA . 10268 1 266 . 1 1 26 26 ASN CB C 13 37.243 0.300 . 1 . . . . 26 ASN CB . 10268 1 267 . 1 1 26 26 ASN N N 15 112.383 0.300 . 1 . . . . 26 ASN N . 10268 1 268 . 1 1 26 26 ASN ND2 N 15 111.194 0.300 . 1 . . . . 26 ASN ND2 . 10268 1 269 . 1 1 27 27 ALA H H 1 7.716 0.030 . 1 . . . . 27 ALA H . 10268 1 270 . 1 1 27 27 ALA HA H 1 4.409 0.030 . 1 . . . . 27 ALA HA . 10268 1 271 . 1 1 27 27 ALA HB1 H 1 1.401 0.030 . 1 . . . . 27 ALA HB . 10268 1 272 . 1 1 27 27 ALA HB2 H 1 1.401 0.030 . 1 . . . . 27 ALA HB . 10268 1 273 . 1 1 27 27 ALA HB3 H 1 1.401 0.030 . 1 . . . . 27 ALA HB . 10268 1 274 . 1 1 27 27 ALA C C 13 175.850 0.300 . 1 . . . . 27 ALA C . 10268 1 275 . 1 1 27 27 ALA CA C 13 51.037 0.300 . 1 . . . . 27 ALA CA . 10268 1 276 . 1 1 27 27 ALA CB C 13 18.152 0.300 . 1 . . . . 27 ALA CB . 10268 1 277 . 1 1 27 27 ALA N N 15 125.139 0.300 . 1 . . . . 27 ALA N . 10268 1 278 . 1 1 28 28 PRO HA H 1 4.422 0.030 . 1 . . . . 28 PRO HA . 10268 1 279 . 1 1 28 28 PRO HB2 H 1 2.312 0.030 . 2 . . . . 28 PRO HB2 . 10268 1 280 . 1 1 28 28 PRO HB3 H 1 1.763 0.030 . 2 . . . . 28 PRO HB3 . 10268 1 281 . 1 1 28 28 PRO HD2 H 1 3.963 0.030 . 2 . . . . 28 PRO HD2 . 10268 1 282 . 1 1 28 28 PRO HD3 H 1 3.618 0.030 . 2 . . . . 28 PRO HD3 . 10268 1 283 . 1 1 28 28 PRO HG2 H 1 1.988 0.030 . 2 . . . . 28 PRO HG2 . 10268 1 284 . 1 1 28 28 PRO HG3 H 1 1.925 0.030 . 2 . . . . 28 PRO HG3 . 10268 1 285 . 1 1 28 28 PRO C C 13 178.442 0.300 . 1 . . . . 28 PRO C . 10268 1 286 . 1 1 28 28 PRO CA C 13 62.067 0.300 . 1 . . . . 28 PRO CA . 10268 1 287 . 1 1 28 28 PRO CB C 13 32.642 0.300 . 1 . . . . 28 PRO CB . 10268 1 288 . 1 1 28 28 PRO CD C 13 51.073 0.300 . 1 . . . . 28 PRO CD . 10268 1 289 . 1 1 28 28 PRO CG C 13 27.441 0.300 . 1 . . . . 28 PRO CG . 10268 1 290 . 1 1 29 29 VAL H H 1 8.691 0.030 . 1 . . . . 29 VAL H . 10268 1 291 . 1 1 29 29 VAL HA H 1 3.239 0.030 . 1 . . . . 29 VAL HA . 10268 1 292 . 1 1 29 29 VAL HB H 1 1.849 0.030 . 1 . . . . 29 VAL HB . 10268 1 293 . 1 1 29 29 VAL HG11 H 1 0.819 0.030 . 1 . . . . 29 VAL HG1 . 10268 1 294 . 1 1 29 29 VAL HG12 H 1 0.819 0.030 . 1 . . . . 29 VAL HG1 . 10268 1 295 . 1 1 29 29 VAL HG13 H 1 0.819 0.030 . 1 . . . . 29 VAL HG1 . 10268 1 296 . 1 1 29 29 VAL HG21 H 1 0.839 0.030 . 1 . . . . 29 VAL HG2 . 10268 1 297 . 1 1 29 29 VAL HG22 H 1 0.839 0.030 . 1 . . . . 29 VAL HG2 . 10268 1 298 . 1 1 29 29 VAL HG23 H 1 0.839 0.030 . 1 . . . . 29 VAL HG2 . 10268 1 299 . 1 1 29 29 VAL C C 13 176.887 0.300 . 1 . . . . 29 VAL C . 10268 1 300 . 1 1 29 29 VAL CA C 13 65.812 0.300 . 1 . . . . 29 VAL CA . 10268 1 301 . 1 1 29 29 VAL CB C 13 31.174 0.300 . 1 . . . . 29 VAL CB . 10268 1 302 . 1 1 29 29 VAL CG1 C 13 22.273 0.300 . 2 . . . . 29 VAL CG1 . 10268 1 303 . 1 1 29 29 VAL CG2 C 13 21.361 0.300 . 2 . . . . 29 VAL CG2 . 10268 1 304 . 1 1 29 29 VAL N N 15 123.592 0.300 . 1 . . . . 29 VAL N . 10268 1 305 . 1 1 30 30 GLY H H 1 9.197 0.030 . 1 . . . . 30 GLY H . 10268 1 306 . 1 1 30 30 GLY HA2 H 1 4.486 0.030 . 2 . . . . 30 GLY HA2 . 10268 1 307 . 1 1 30 30 GLY HA3 H 1 3.581 0.030 . 2 . . . . 30 GLY HA3 . 10268 1 308 . 1 1 30 30 GLY C C 13 174.347 0.300 . 1 . . . . 30 GLY C . 10268 1 309 . 1 1 30 30 GLY CA C 13 44.320 0.300 . 1 . . . . 30 GLY CA . 10268 1 310 . 1 1 30 30 GLY N N 15 116.042 0.300 . 1 . . . . 30 GLY N . 10268 1 311 . 1 1 31 31 THR H H 1 7.838 0.030 . 1 . . . . 31 THR H . 10268 1 312 . 1 1 31 31 THR HA H 1 3.959 0.030 . 1 . . . . 31 THR HA . 10268 1 313 . 1 1 31 31 THR HB H 1 3.841 0.030 . 1 . . . . 31 THR HB . 10268 1 314 . 1 1 31 31 THR HG21 H 1 1.271 0.030 . 1 . . . . 31 THR HG2 . 10268 1 315 . 1 1 31 31 THR HG22 H 1 1.271 0.030 . 1 . . . . 31 THR HG2 . 10268 1 316 . 1 1 31 31 THR HG23 H 1 1.271 0.030 . 1 . . . . 31 THR HG2 . 10268 1 317 . 1 1 31 31 THR C C 13 174.274 0.300 . 1 . . . . 31 THR C . 10268 1 318 . 1 1 31 31 THR CA C 13 65.160 0.300 . 1 . . . . 31 THR CA . 10268 1 319 . 1 1 31 31 THR CB C 13 69.972 0.300 . 1 . . . . 31 THR CB . 10268 1 320 . 1 1 31 31 THR CG2 C 13 21.119 0.300 . 1 . . . . 31 THR CG2 . 10268 1 321 . 1 1 31 31 THR N N 15 117.679 0.300 . 1 . . . . 31 THR N . 10268 1 322 . 1 1 32 32 SER H H 1 9.022 0.030 . 1 . . . . 32 SER H . 10268 1 323 . 1 1 32 32 SER HA H 1 4.273 0.030 . 1 . . . . 32 SER HA . 10268 1 324 . 1 1 32 32 SER HB2 H 1 3.864 0.030 . 2 . . . . 32 SER HB2 . 10268 1 325 . 1 1 32 32 SER HB3 H 1 3.730 0.030 . 2 . . . . 32 SER HB3 . 10268 1 326 . 1 1 32 32 SER C C 13 172.692 0.300 . 1 . . . . 32 SER C . 10268 1 327 . 1 1 32 32 SER CA C 13 59.642 0.300 . 1 . . . . 32 SER CA . 10268 1 328 . 1 1 32 32 SER CB C 13 63.102 0.300 . 1 . . . . 32 SER CB . 10268 1 329 . 1 1 32 32 SER N N 15 123.045 0.300 . 1 . . . . 32 SER N . 10268 1 330 . 1 1 33 33 VAL H H 1 9.202 0.030 . 1 . . . . 33 VAL H . 10268 1 331 . 1 1 33 33 VAL HA H 1 3.844 0.030 . 1 . . . . 33 VAL HA . 10268 1 332 . 1 1 33 33 VAL HB H 1 1.680 0.030 . 1 . . . . 33 VAL HB . 10268 1 333 . 1 1 33 33 VAL HG11 H 1 0.957 0.030 . 1 . . . . 33 VAL HG1 . 10268 1 334 . 1 1 33 33 VAL HG12 H 1 0.957 0.030 . 1 . . . . 33 VAL HG1 . 10268 1 335 . 1 1 33 33 VAL HG13 H 1 0.957 0.030 . 1 . . . . 33 VAL HG1 . 10268 1 336 . 1 1 33 33 VAL HG21 H 1 0.619 0.030 . 1 . . . . 33 VAL HG2 . 10268 1 337 . 1 1 33 33 VAL HG22 H 1 0.619 0.030 . 1 . . . . 33 VAL HG2 . 10268 1 338 . 1 1 33 33 VAL HG23 H 1 0.619 0.030 . 1 . . . . 33 VAL HG2 . 10268 1 339 . 1 1 33 33 VAL C C 13 174.782 0.300 . 1 . . . . 33 VAL C . 10268 1 340 . 1 1 33 33 VAL CA C 13 64.242 0.300 . 1 . . . . 33 VAL CA . 10268 1 341 . 1 1 33 33 VAL CB C 13 32.893 0.300 . 1 . . . . 33 VAL CB . 10268 1 342 . 1 1 33 33 VAL CG1 C 13 22.577 0.300 . 2 . . . . 33 VAL CG1 . 10268 1 343 . 1 1 33 33 VAL CG2 C 13 21.253 0.300 . 2 . . . . 33 VAL CG2 . 10268 1 344 . 1 1 33 33 VAL N N 15 126.861 0.300 . 1 . . . . 33 VAL N . 10268 1 345 . 1 1 34 34 ILE H H 1 7.074 0.030 . 1 . . . . 34 ILE H . 10268 1 346 . 1 1 34 34 ILE HA H 1 4.295 0.030 . 1 . . . . 34 ILE HA . 10268 1 347 . 1 1 34 34 ILE HB H 1 1.980 0.030 . 1 . . . . 34 ILE HB . 10268 1 348 . 1 1 34 34 ILE HD11 H 1 0.803 0.030 . 1 . . . . 34 ILE HD1 . 10268 1 349 . 1 1 34 34 ILE HD12 H 1 0.803 0.030 . 1 . . . . 34 ILE HD1 . 10268 1 350 . 1 1 34 34 ILE HD13 H 1 0.803 0.030 . 1 . . . . 34 ILE HD1 . 10268 1 351 . 1 1 34 34 ILE HG12 H 1 1.426 0.030 . 2 . . . . 34 ILE HG12 . 10268 1 352 . 1 1 34 34 ILE HG13 H 1 0.884 0.030 . 2 . . . . 34 ILE HG13 . 10268 1 353 . 1 1 34 34 ILE HG21 H 1 0.580 0.030 . 1 . . . . 34 ILE HG2 . 10268 1 354 . 1 1 34 34 ILE HG22 H 1 0.580 0.030 . 1 . . . . 34 ILE HG2 . 10268 1 355 . 1 1 34 34 ILE HG23 H 1 0.580 0.030 . 1 . . . . 34 ILE HG2 . 10268 1 356 . 1 1 34 34 ILE C C 13 170.577 0.300 . 1 . . . . 34 ILE C . 10268 1 357 . 1 1 34 34 ILE CA C 13 59.500 0.300 . 1 . . . . 34 ILE CA . 10268 1 358 . 1 1 34 34 ILE CB C 13 39.251 0.300 . 1 . . . . 34 ILE CB . 10268 1 359 . 1 1 34 34 ILE CD1 C 13 14.884 0.300 . 1 . . . . 34 ILE CD1 . 10268 1 360 . 1 1 34 34 ILE CG1 C 13 28.891 0.300 . 1 . . . . 34 ILE CG1 . 10268 1 361 . 1 1 34 34 ILE CG2 C 13 16.657 0.300 . 1 . . . . 34 ILE CG2 . 10268 1 362 . 1 1 34 34 ILE N N 15 111.445 0.300 . 1 . . . . 34 ILE N . 10268 1 363 . 1 1 35 35 GLN H H 1 8.450 0.030 . 1 . . . . 35 GLN H . 10268 1 364 . 1 1 35 35 GLN HA H 1 4.633 0.030 . 1 . . . . 35 GLN HA . 10268 1 365 . 1 1 35 35 GLN HB2 H 1 2.006 0.030 . 2 . . . . 35 GLN HB2 . 10268 1 366 . 1 1 35 35 GLN HB3 H 1 1.698 0.030 . 2 . . . . 35 GLN HB3 . 10268 1 367 . 1 1 35 35 GLN HE21 H 1 7.717 0.030 . 2 . . . . 35 GLN HE21 . 10268 1 368 . 1 1 35 35 GLN HE22 H 1 6.586 0.030 . 2 . . . . 35 GLN HE22 . 10268 1 369 . 1 1 35 35 GLN HG2 H 1 2.096 0.030 . 2 . . . . 35 GLN HG2 . 10268 1 370 . 1 1 35 35 GLN HG3 H 1 1.707 0.030 . 2 . . . . 35 GLN HG3 . 10268 1 371 . 1 1 35 35 GLN C C 13 174.354 0.300 . 1 . . . . 35 GLN C . 10268 1 372 . 1 1 35 35 GLN CA C 13 54.176 0.300 . 1 . . . . 35 GLN CA . 10268 1 373 . 1 1 35 35 GLN CB C 13 29.456 0.300 . 1 . . . . 35 GLN CB . 10268 1 374 . 1 1 35 35 GLN CG C 13 33.482 0.300 . 1 . . . . 35 GLN CG . 10268 1 375 . 1 1 35 35 GLN N N 15 127.342 0.300 . 1 . . . . 35 GLN N . 10268 1 376 . 1 1 35 35 GLN NE2 N 15 113.225 0.300 . 1 . . . . 35 GLN NE2 . 10268 1 377 . 1 1 36 36 LEU H H 1 7.761 0.030 . 1 . . . . 36 LEU H . 10268 1 378 . 1 1 36 36 LEU HA H 1 4.492 0.030 . 1 . . . . 36 LEU HA . 10268 1 379 . 1 1 36 36 LEU HB2 H 1 1.623 0.030 . 2 . . . . 36 LEU HB2 . 10268 1 380 . 1 1 36 36 LEU HB3 H 1 1.476 0.030 . 2 . . . . 36 LEU HB3 . 10268 1 381 . 1 1 36 36 LEU HD11 H 1 0.614 0.030 . 1 . . . . 36 LEU HD1 . 10268 1 382 . 1 1 36 36 LEU HD12 H 1 0.614 0.030 . 1 . . . . 36 LEU HD1 . 10268 1 383 . 1 1 36 36 LEU HD13 H 1 0.614 0.030 . 1 . . . . 36 LEU HD1 . 10268 1 384 . 1 1 36 36 LEU HD21 H 1 0.605 0.030 . 1 . . . . 36 LEU HD2 . 10268 1 385 . 1 1 36 36 LEU HD22 H 1 0.605 0.030 . 1 . . . . 36 LEU HD2 . 10268 1 386 . 1 1 36 36 LEU HD23 H 1 0.605 0.030 . 1 . . . . 36 LEU HD2 . 10268 1 387 . 1 1 36 36 LEU HG H 1 1.483 0.030 . 1 . . . . 36 LEU HG . 10268 1 388 . 1 1 36 36 LEU C C 13 175.543 0.300 . 1 . . . . 36 LEU C . 10268 1 389 . 1 1 36 36 LEU CA C 13 53.982 0.300 . 1 . . . . 36 LEU CA . 10268 1 390 . 1 1 36 36 LEU CB C 13 42.776 0.300 . 1 . . . . 36 LEU CB . 10268 1 391 . 1 1 36 36 LEU CD1 C 13 25.828 0.300 . 2 . . . . 36 LEU CD1 . 10268 1 392 . 1 1 36 36 LEU CD2 C 13 23.146 0.300 . 2 . . . . 36 LEU CD2 . 10268 1 393 . 1 1 36 36 LEU CG C 13 27.547 0.300 . 1 . . . . 36 LEU CG . 10268 1 394 . 1 1 36 36 LEU N N 15 128.895 0.300 . 1 . . . . 36 LEU N . 10268 1 395 . 1 1 37 37 HIS H H 1 8.529 0.030 . 1 . . . . 37 HIS H . 10268 1 396 . 1 1 37 37 HIS HA H 1 4.851 0.030 . 1 . . . . 37 HIS HA . 10268 1 397 . 1 1 37 37 HIS HB2 H 1 3.072 0.030 . 2 . . . . 37 HIS HB2 . 10268 1 398 . 1 1 37 37 HIS HB3 H 1 2.966 0.030 . 2 . . . . 37 HIS HB3 . 10268 1 399 . 1 1 37 37 HIS HD2 H 1 7.027 0.030 . 1 . . . . 37 HIS HD2 . 10268 1 400 . 1 1 37 37 HIS C C 13 172.985 0.300 . 1 . . . . 37 HIS C . 10268 1 401 . 1 1 37 37 HIS CA C 13 55.833 0.300 . 1 . . . . 37 HIS CA . 10268 1 402 . 1 1 37 37 HIS CB C 13 32.204 0.300 . 1 . . . . 37 HIS CB . 10268 1 403 . 1 1 37 37 HIS CD2 C 13 120.164 0.300 . 1 . . . . 37 HIS CD2 . 10268 1 404 . 1 1 37 37 HIS N N 15 115.903 0.300 . 1 . . . . 37 HIS N . 10268 1 405 . 1 1 38 38 ALA H H 1 8.474 0.030 . 1 . . . . 38 ALA H . 10268 1 406 . 1 1 38 38 ALA HA H 1 4.691 0.030 . 1 . . . . 38 ALA HA . 10268 1 407 . 1 1 38 38 ALA HB1 H 1 0.418 0.030 . 1 . . . . 38 ALA HB . 10268 1 408 . 1 1 38 38 ALA HB2 H 1 0.418 0.030 . 1 . . . . 38 ALA HB . 10268 1 409 . 1 1 38 38 ALA HB3 H 1 0.418 0.030 . 1 . . . . 38 ALA HB . 10268 1 410 . 1 1 38 38 ALA C C 13 175.548 0.300 . 1 . . . . 38 ALA C . 10268 1 411 . 1 1 38 38 ALA CA C 13 50.491 0.300 . 1 . . . . 38 ALA CA . 10268 1 412 . 1 1 38 38 ALA CB C 13 19.842 0.300 . 1 . . . . 38 ALA CB . 10268 1 413 . 1 1 38 38 ALA N N 15 128.891 0.300 . 1 . . . . 38 ALA N . 10268 1 414 . 1 1 39 39 THR H H 1 8.095 0.030 . 1 . . . . 39 THR H . 10268 1 415 . 1 1 39 39 THR HA H 1 4.336 0.030 . 1 . . . . 39 THR HA . 10268 1 416 . 1 1 39 39 THR HB H 1 4.152 0.030 . 1 . . . . 39 THR HB . 10268 1 417 . 1 1 39 39 THR HG21 H 1 1.078 0.030 . 1 . . . . 39 THR HG2 . 10268 1 418 . 1 1 39 39 THR HG22 H 1 1.078 0.030 . 1 . . . . 39 THR HG2 . 10268 1 419 . 1 1 39 39 THR HG23 H 1 1.078 0.030 . 1 . . . . 39 THR HG2 . 10268 1 420 . 1 1 39 39 THR C C 13 173.553 0.300 . 1 . . . . 39 THR C . 10268 1 421 . 1 1 39 39 THR CA C 13 60.417 0.300 . 1 . . . . 39 THR CA . 10268 1 422 . 1 1 39 39 THR CB C 13 70.912 0.300 . 1 . . . . 39 THR CB . 10268 1 423 . 1 1 39 39 THR CG2 C 13 21.284 0.300 . 1 . . . . 39 THR CG2 . 10268 1 424 . 1 1 39 39 THR N N 15 110.982 0.300 . 1 . . . . 39 THR N . 10268 1 425 . 1 1 40 40 ASP H H 1 8.417 0.030 . 1 . . . . 40 ASP H . 10268 1 426 . 1 1 40 40 ASP HA H 1 4.553 0.030 . 1 . . . . 40 ASP HA . 10268 1 427 . 1 1 40 40 ASP HB2 H 1 2.640 0.030 . 2 . . . . 40 ASP HB2 . 10268 1 428 . 1 1 40 40 ASP HB3 H 1 2.554 0.030 . 2 . . . . 40 ASP HB3 . 10268 1 429 . 1 1 40 40 ASP C C 13 176.462 0.300 . 1 . . . . 40 ASP C . 10268 1 430 . 1 1 40 40 ASP CA C 13 54.158 0.300 . 1 . . . . 40 ASP CA . 10268 1 431 . 1 1 40 40 ASP CB C 13 41.517 0.300 . 1 . . . . 40 ASP CB . 10268 1 432 . 1 1 40 40 ASP N N 15 121.450 0.300 . 1 . . . . 40 ASP N . 10268 1 433 . 1 1 41 41 ALA H H 1 8.435 0.030 . 1 . . . . 41 ALA H . 10268 1 434 . 1 1 41 41 ALA HA H 1 4.129 0.030 . 1 . . . . 41 ALA HA . 10268 1 435 . 1 1 41 41 ALA HB1 H 1 1.335 0.030 . 1 . . . . 41 ALA HB . 10268 1 436 . 1 1 41 41 ALA HB2 H 1 1.335 0.030 . 1 . . . . 41 ALA HB . 10268 1 437 . 1 1 41 41 ALA HB3 H 1 1.335 0.030 . 1 . . . . 41 ALA HB . 10268 1 438 . 1 1 41 41 ALA C C 13 177.718 0.300 . 1 . . . . 41 ALA C . 10268 1 439 . 1 1 41 41 ALA CA C 13 53.436 0.300 . 1 . . . . 41 ALA CA . 10268 1 440 . 1 1 41 41 ALA CB C 13 19.183 0.300 . 1 . . . . 41 ALA CB . 10268 1 441 . 1 1 41 41 ALA N N 15 124.607 0.300 . 1 . . . . 41 ALA N . 10268 1 442 . 1 1 42 42 ASP H H 1 8.310 0.030 . 1 . . . . 42 ASP H . 10268 1 443 . 1 1 42 42 ASP HA H 1 4.588 0.030 . 1 . . . . 42 ASP HA . 10268 1 444 . 1 1 42 42 ASP HB2 H 1 2.714 0.030 . 2 . . . . 42 ASP HB2 . 10268 1 445 . 1 1 42 42 ASP HB3 H 1 2.605 0.030 . 2 . . . . 42 ASP HB3 . 10268 1 446 . 1 1 42 42 ASP C C 13 176.546 0.300 . 1 . . . . 42 ASP C . 10268 1 447 . 1 1 42 42 ASP CA C 13 54.599 0.300 . 1 . . . . 42 ASP CA . 10268 1 448 . 1 1 42 42 ASP CB C 13 41.146 0.300 . 1 . . . . 42 ASP CB . 10268 1 449 . 1 1 42 42 ASP N N 15 118.030 0.300 . 1 . . . . 42 ASP N . 10268 1 450 . 1 1 43 43 ILE H H 1 8.000 0.030 . 1 . . . . 43 ILE H . 10268 1 451 . 1 1 43 43 ILE HA H 1 4.130 0.030 . 1 . . . . 43 ILE HA . 10268 1 452 . 1 1 43 43 ILE HB H 1 1.937 0.030 . 1 . . . . 43 ILE HB . 10268 1 453 . 1 1 43 43 ILE HD11 H 1 0.803 0.030 . 1 . . . . 43 ILE HD1 . 10268 1 454 . 1 1 43 43 ILE HD12 H 1 0.803 0.030 . 1 . . . . 43 ILE HD1 . 10268 1 455 . 1 1 43 43 ILE HD13 H 1 0.803 0.030 . 1 . . . . 43 ILE HD1 . 10268 1 456 . 1 1 43 43 ILE HG12 H 1 1.402 0.030 . 2 . . . . 43 ILE HG12 . 10268 1 457 . 1 1 43 43 ILE HG13 H 1 1.174 0.030 . 2 . . . . 43 ILE HG13 . 10268 1 458 . 1 1 43 43 ILE HG21 H 1 0.888 0.030 . 1 . . . . 43 ILE HG2 . 10268 1 459 . 1 1 43 43 ILE HG22 H 1 0.888 0.030 . 1 . . . . 43 ILE HG2 . 10268 1 460 . 1 1 43 43 ILE HG23 H 1 0.888 0.030 . 1 . . . . 43 ILE HG2 . 10268 1 461 . 1 1 43 43 ILE C C 13 176.901 0.300 . 1 . . . . 43 ILE C . 10268 1 462 . 1 1 43 43 ILE CA C 13 61.740 0.300 . 1 . . . . 43 ILE CA . 10268 1 463 . 1 1 43 43 ILE CB C 13 38.491 0.300 . 1 . . . . 43 ILE CB . 10268 1 464 . 1 1 43 43 ILE CD1 C 13 13.241 0.300 . 1 . . . . 43 ILE CD1 . 10268 1 465 . 1 1 43 43 ILE CG1 C 13 27.300 0.300 . 1 . . . . 43 ILE CG1 . 10268 1 466 . 1 1 43 43 ILE CG2 C 13 17.744 0.300 . 1 . . . . 43 ILE CG2 . 10268 1 467 . 1 1 43 43 ILE N N 15 119.301 0.300 . 1 . . . . 43 ILE N . 10268 1 468 . 1 1 44 44 GLY H H 1 8.448 0.030 . 1 . . . . 44 GLY H . 10268 1 469 . 1 1 44 44 GLY HA2 H 1 3.939 0.030 . 1 . . . . 44 GLY HA2 . 10268 1 470 . 1 1 44 44 GLY HA3 H 1 3.939 0.030 . 1 . . . . 44 GLY HA3 . 10268 1 471 . 1 1 44 44 GLY C C 13 174.393 0.300 . 1 . . . . 44 GLY C . 10268 1 472 . 1 1 44 44 GLY CA C 13 45.501 0.300 . 1 . . . . 44 GLY CA . 10268 1 473 . 1 1 44 44 GLY N N 15 111.333 0.300 . 1 . . . . 44 GLY N . 10268 1 474 . 1 1 45 45 SER H H 1 8.061 0.030 . 1 . . . . 45 SER H . 10268 1 475 . 1 1 45 45 SER HA H 1 4.416 0.030 . 1 . . . . 45 SER HA . 10268 1 476 . 1 1 45 45 SER HB2 H 1 3.893 0.030 . 2 . . . . 45 SER HB2 . 10268 1 477 . 1 1 45 45 SER HB3 H 1 3.835 0.030 . 2 . . . . 45 SER HB3 . 10268 1 478 . 1 1 45 45 SER C C 13 174.480 0.300 . 1 . . . . 45 SER C . 10268 1 479 . 1 1 45 45 SER CA C 13 58.478 0.300 . 1 . . . . 45 SER CA . 10268 1 480 . 1 1 45 45 SER CB C 13 63.943 0.300 . 1 . . . . 45 SER CB . 10268 1 481 . 1 1 45 45 SER N N 15 115.551 0.300 . 1 . . . . 45 SER N . 10268 1 482 . 1 1 46 46 ASN H H 1 8.547 0.030 . 1 . . . . 46 ASN H . 10268 1 483 . 1 1 46 46 ASN HA H 1 4.725 0.030 . 1 . . . . 46 ASN HA . 10268 1 484 . 1 1 46 46 ASN HB2 H 1 2.792 0.030 . 2 . . . . 46 ASN HB2 . 10268 1 485 . 1 1 46 46 ASN HB3 H 1 2.752 0.030 . 2 . . . . 46 ASN HB3 . 10268 1 486 . 1 1 46 46 ASN HD21 H 1 6.918 0.030 . 2 . . . . 46 ASN HD21 . 10268 1 487 . 1 1 46 46 ASN HD22 H 1 7.608 0.030 . 2 . . . . 46 ASN HD22 . 10268 1 488 . 1 1 46 46 ASN C C 13 175.031 0.300 . 1 . . . . 46 ASN C . 10268 1 489 . 1 1 46 46 ASN CA C 13 53.277 0.300 . 1 . . . . 46 ASN CA . 10268 1 490 . 1 1 46 46 ASN CB C 13 38.798 0.300 . 1 . . . . 46 ASN CB . 10268 1 491 . 1 1 46 46 ASN N N 15 120.698 0.300 . 1 . . . . 46 ASN N . 10268 1 492 . 1 1 46 46 ASN ND2 N 15 113.089 0.300 . 1 . . . . 46 ASN ND2 . 10268 1 493 . 1 1 47 47 ALA H H 1 8.239 0.030 . 1 . . . . 47 ALA H . 10268 1 494 . 1 1 47 47 ALA HA H 1 4.283 0.030 . 1 . . . . 47 ALA HA . 10268 1 495 . 1 1 47 47 ALA HB1 H 1 1.376 0.030 . 1 . . . . 47 ALA HB . 10268 1 496 . 1 1 47 47 ALA HB2 H 1 1.376 0.030 . 1 . . . . 47 ALA HB . 10268 1 497 . 1 1 47 47 ALA HB3 H 1 1.376 0.030 . 1 . . . . 47 ALA HB . 10268 1 498 . 1 1 47 47 ALA C C 13 177.240 0.300 . 1 . . . . 47 ALA C . 10268 1 499 . 1 1 47 47 ALA CA C 13 52.731 0.300 . 1 . . . . 47 ALA CA . 10268 1 500 . 1 1 47 47 ALA CB C 13 19.594 0.300 . 1 . . . . 47 ALA CB . 10268 1 501 . 1 1 47 47 ALA N N 15 124.093 0.300 . 1 . . . . 47 ALA N . 10268 1 502 . 1 1 48 48 GLU H H 1 8.376 0.030 . 1 . . . . 48 GLU H . 10268 1 503 . 1 1 48 48 GLU HA H 1 4.264 0.030 . 1 . . . . 48 GLU HA . 10268 1 504 . 1 1 48 48 GLU HB2 H 1 2.018 0.030 . 2 . . . . 48 GLU HB2 . 10268 1 505 . 1 1 48 48 GLU HB3 H 1 1.884 0.030 . 2 . . . . 48 GLU HB3 . 10268 1 506 . 1 1 48 48 GLU HG2 H 1 2.267 0.030 . 2 . . . . 48 GLU HG2 . 10268 1 507 . 1 1 48 48 GLU HG3 H 1 2.145 0.030 . 2 . . . . 48 GLU HG3 . 10268 1 508 . 1 1 48 48 GLU C C 13 175.702 0.300 . 1 . . . . 48 GLU C . 10268 1 509 . 1 1 48 48 GLU CA C 13 55.992 0.300 . 1 . . . . 48 GLU CA . 10268 1 510 . 1 1 48 48 GLU CB C 13 30.210 0.300 . 1 . . . . 48 GLU CB . 10268 1 511 . 1 1 48 48 GLU CG C 13 36.448 0.300 . 1 . . . . 48 GLU CG . 10268 1 512 . 1 1 48 48 GLU N N 15 119.750 0.300 . 1 . . . . 48 GLU N . 10268 1 513 . 1 1 49 49 ILE H H 1 7.806 0.030 . 1 . . . . 49 ILE H . 10268 1 514 . 1 1 49 49 ILE HA H 1 3.919 0.030 . 1 . . . . 49 ILE HA . 10268 1 515 . 1 1 49 49 ILE HB H 1 1.532 0.030 . 1 . . . . 49 ILE HB . 10268 1 516 . 1 1 49 49 ILE HD11 H 1 0.471 0.030 . 1 . . . . 49 ILE HD1 . 10268 1 517 . 1 1 49 49 ILE HD12 H 1 0.471 0.030 . 1 . . . . 49 ILE HD1 . 10268 1 518 . 1 1 49 49 ILE HD13 H 1 0.471 0.030 . 1 . . . . 49 ILE HD1 . 10268 1 519 . 1 1 49 49 ILE HG12 H 1 1.314 0.030 . 2 . . . . 49 ILE HG12 . 10268 1 520 . 1 1 49 49 ILE HG13 H 1 0.816 0.030 . 2 . . . . 49 ILE HG13 . 10268 1 521 . 1 1 49 49 ILE HG21 H 1 0.053 0.030 . 1 . . . . 49 ILE HG2 . 10268 1 522 . 1 1 49 49 ILE HG22 H 1 0.053 0.030 . 1 . . . . 49 ILE HG2 . 10268 1 523 . 1 1 49 49 ILE HG23 H 1 0.053 0.030 . 1 . . . . 49 ILE HG2 . 10268 1 524 . 1 1 49 49 ILE C C 13 175.894 0.300 . 1 . . . . 49 ILE C . 10268 1 525 . 1 1 49 49 ILE CA C 13 60.559 0.300 . 1 . . . . 49 ILE CA . 10268 1 526 . 1 1 49 49 ILE CB C 13 37.860 0.300 . 1 . . . . 49 ILE CB . 10268 1 527 . 1 1 49 49 ILE CD1 C 13 12.198 0.300 . 1 . . . . 49 ILE CD1 . 10268 1 528 . 1 1 49 49 ILE CG1 C 13 28.414 0.300 . 1 . . . . 49 ILE CG1 . 10268 1 529 . 1 1 49 49 ILE CG2 C 13 17.395 0.300 . 1 . . . . 49 ILE CG2 . 10268 1 530 . 1 1 49 49 ILE N N 15 122.772 0.300 . 1 . . . . 49 ILE N . 10268 1 531 . 1 1 50 50 ARG H H 1 8.247 0.030 . 1 . . . . 50 ARG H . 10268 1 532 . 1 1 50 50 ARG HA H 1 4.999 0.030 . 1 . . . . 50 ARG HA . 10268 1 533 . 1 1 50 50 ARG HB2 H 1 1.649 0.030 . 1 . . . . 50 ARG HB2 . 10268 1 534 . 1 1 50 50 ARG HB3 H 1 1.649 0.030 . 1 . . . . 50 ARG HB3 . 10268 1 535 . 1 1 50 50 ARG HD2 H 1 3.244 0.030 . 2 . . . . 50 ARG HD2 . 10268 1 536 . 1 1 50 50 ARG HD3 H 1 3.013 0.030 . 2 . . . . 50 ARG HD3 . 10268 1 537 . 1 1 50 50 ARG HG2 H 1 1.585 0.030 . 2 . . . . 50 ARG HG2 . 10268 1 538 . 1 1 50 50 ARG HG3 H 1 1.475 0.030 . 2 . . . . 50 ARG HG3 . 10268 1 539 . 1 1 50 50 ARG C C 13 174.603 0.300 . 1 . . . . 50 ARG C . 10268 1 540 . 1 1 50 50 ARG CA C 13 53.189 0.300 . 1 . . . . 50 ARG CA . 10268 1 541 . 1 1 50 50 ARG CB C 13 33.152 0.300 . 1 . . . . 50 ARG CB . 10268 1 542 . 1 1 50 50 ARG CD C 13 43.174 0.300 . 1 . . . . 50 ARG CD . 10268 1 543 . 1 1 50 50 ARG CG C 13 27.223 0.300 . 1 . . . . 50 ARG CG . 10268 1 544 . 1 1 50 50 ARG N N 15 126.912 0.300 . 1 . . . . 50 ARG N . 10268 1 545 . 1 1 51 51 TYR H H 1 9.041 0.030 . 1 . . . . 51 TYR H . 10268 1 546 . 1 1 51 51 TYR HA H 1 5.395 0.030 . 1 . . . . 51 TYR HA . 10268 1 547 . 1 1 51 51 TYR HB2 H 1 2.746 0.030 . 2 . . . . 51 TYR HB2 . 10268 1 548 . 1 1 51 51 TYR HB3 H 1 2.518 0.030 . 2 . . . . 51 TYR HB3 . 10268 1 549 . 1 1 51 51 TYR HD1 H 1 6.744 0.030 . 1 . . . . 51 TYR HD1 . 10268 1 550 . 1 1 51 51 TYR HD2 H 1 6.744 0.030 . 1 . . . . 51 TYR HD2 . 10268 1 551 . 1 1 51 51 TYR HE1 H 1 6.405 0.030 . 1 . . . . 51 TYR HE1 . 10268 1 552 . 1 1 51 51 TYR HE2 H 1 6.405 0.030 . 1 . . . . 51 TYR HE2 . 10268 1 553 . 1 1 51 51 TYR C C 13 175.555 0.300 . 1 . . . . 51 TYR C . 10268 1 554 . 1 1 51 51 TYR CA C 13 56.909 0.300 . 1 . . . . 51 TYR CA . 10268 1 555 . 1 1 51 51 TYR CB C 13 40.116 0.300 . 1 . . . . 51 TYR CB . 10268 1 556 . 1 1 51 51 TYR CD1 C 13 132.904 0.300 . 1 . . . . 51 TYR CD1 . 10268 1 557 . 1 1 51 51 TYR CD2 C 13 132.904 0.300 . 1 . . . . 51 TYR CD2 . 10268 1 558 . 1 1 51 51 TYR CE1 C 13 117.233 0.300 . 1 . . . . 51 TYR CE1 . 10268 1 559 . 1 1 51 51 TYR CE2 C 13 117.233 0.300 . 1 . . . . 51 TYR CE2 . 10268 1 560 . 1 1 51 51 TYR N N 15 121.627 0.300 . 1 . . . . 51 TYR N . 10268 1 561 . 1 1 52 52 ILE H H 1 8.850 0.030 . 1 . . . . 52 ILE H . 10268 1 562 . 1 1 52 52 ILE HA H 1 4.576 0.030 . 1 . . . . 52 ILE HA . 10268 1 563 . 1 1 52 52 ILE HB H 1 1.944 0.030 . 1 . . . . 52 ILE HB . 10268 1 564 . 1 1 52 52 ILE HD11 H 1 0.837 0.030 . 1 . . . . 52 ILE HD1 . 10268 1 565 . 1 1 52 52 ILE HD12 H 1 0.837 0.030 . 1 . . . . 52 ILE HD1 . 10268 1 566 . 1 1 52 52 ILE HD13 H 1 0.837 0.030 . 1 . . . . 52 ILE HD1 . 10268 1 567 . 1 1 52 52 ILE HG12 H 1 1.336 0.030 . 2 . . . . 52 ILE HG12 . 10268 1 568 . 1 1 52 52 ILE HG13 H 1 1.068 0.030 . 2 . . . . 52 ILE HG13 . 10268 1 569 . 1 1 52 52 ILE HG21 H 1 0.902 0.030 . 1 . . . . 52 ILE HG2 . 10268 1 570 . 1 1 52 52 ILE HG22 H 1 0.902 0.030 . 1 . . . . 52 ILE HG2 . 10268 1 571 . 1 1 52 52 ILE HG23 H 1 0.902 0.030 . 1 . . . . 52 ILE HG2 . 10268 1 572 . 1 1 52 52 ILE C C 13 175.371 0.300 . 1 . . . . 52 ILE C . 10268 1 573 . 1 1 52 52 ILE CA C 13 59.624 0.300 . 1 . . . . 52 ILE CA . 10268 1 574 . 1 1 52 52 ILE CB C 13 42.895 0.300 . 1 . . . . 52 ILE CB . 10268 1 575 . 1 1 52 52 ILE CD1 C 13 13.462 0.300 . 1 . . . . 52 ILE CD1 . 10268 1 576 . 1 1 52 52 ILE CG1 C 13 26.229 0.300 . 1 . . . . 52 ILE CG1 . 10268 1 577 . 1 1 52 52 ILE CG2 C 13 17.617 0.300 . 1 . . . . 52 ILE CG2 . 10268 1 578 . 1 1 52 52 ILE N N 15 117.697 0.300 . 1 . . . . 52 ILE N . 10268 1 579 . 1 1 53 53 PHE H H 1 8.748 0.030 . 1 . . . . 53 PHE H . 10268 1 580 . 1 1 53 53 PHE HA H 1 5.132 0.030 . 1 . . . . 53 PHE HA . 10268 1 581 . 1 1 53 53 PHE HB2 H 1 3.254 0.030 . 2 . . . . 53 PHE HB2 . 10268 1 582 . 1 1 53 53 PHE HB3 H 1 3.021 0.030 . 2 . . . . 53 PHE HB3 . 10268 1 583 . 1 1 53 53 PHE HD1 H 1 7.424 0.030 . 1 . . . . 53 PHE HD1 . 10268 1 584 . 1 1 53 53 PHE HD2 H 1 7.424 0.030 . 1 . . . . 53 PHE HD2 . 10268 1 585 . 1 1 53 53 PHE HE1 H 1 7.257 0.030 . 1 . . . . 53 PHE HE1 . 10268 1 586 . 1 1 53 53 PHE HE2 H 1 7.257 0.030 . 1 . . . . 53 PHE HE2 . 10268 1 587 . 1 1 53 53 PHE HZ H 1 7.032 0.030 . 1 . . . . 53 PHE HZ . 10268 1 588 . 1 1 53 53 PHE C C 13 178.146 0.300 . 1 . . . . 53 PHE C . 10268 1 589 . 1 1 53 53 PHE CA C 13 57.667 0.300 . 1 . . . . 53 PHE CA . 10268 1 590 . 1 1 53 53 PHE CB C 13 39.614 0.300 . 1 . . . . 53 PHE CB . 10268 1 591 . 1 1 53 53 PHE CD1 C 13 131.047 0.300 . 1 . . . . 53 PHE CD1 . 10268 1 592 . 1 1 53 53 PHE CD2 C 13 131.047 0.300 . 1 . . . . 53 PHE CD2 . 10268 1 593 . 1 1 53 53 PHE CE1 C 13 131.285 0.300 . 1 . . . . 53 PHE CE1 . 10268 1 594 . 1 1 53 53 PHE CE2 C 13 131.285 0.300 . 1 . . . . 53 PHE CE2 . 10268 1 595 . 1 1 53 53 PHE CZ C 13 129.693 0.300 . 1 . . . . 53 PHE CZ . 10268 1 596 . 1 1 53 53 PHE N N 15 121.433 0.300 . 1 . . . . 53 PHE N . 10268 1 597 . 1 1 54 54 GLY H H 1 8.538 0.030 . 1 . . . . 54 GLY H . 10268 1 598 . 1 1 54 54 GLY HA2 H 1 4.074 0.030 . 2 . . . . 54 GLY HA2 . 10268 1 599 . 1 1 54 54 GLY HA3 H 1 3.840 0.030 . 2 . . . . 54 GLY HA3 . 10268 1 600 . 1 1 54 54 GLY C C 13 174.530 0.300 . 1 . . . . 54 GLY C . 10268 1 601 . 1 1 54 54 GLY CA C 13 44.884 0.300 . 1 . . . . 54 GLY CA . 10268 1 602 . 1 1 54 54 GLY N N 15 106.444 0.300 . 1 . . . . 54 GLY N . 10268 1 603 . 1 1 55 55 ALA H H 1 8.594 0.030 . 1 . . . . 55 ALA H . 10268 1 604 . 1 1 55 55 ALA HA H 1 4.172 0.030 . 1 . . . . 55 ALA HA . 10268 1 605 . 1 1 55 55 ALA HB1 H 1 1.482 0.030 . 1 . . . . 55 ALA HB . 10268 1 606 . 1 1 55 55 ALA HB2 H 1 1.482 0.030 . 1 . . . . 55 ALA HB . 10268 1 607 . 1 1 55 55 ALA HB3 H 1 1.482 0.030 . 1 . . . . 55 ALA HB . 10268 1 608 . 1 1 55 55 ALA C C 13 178.718 0.300 . 1 . . . . 55 ALA C . 10268 1 609 . 1 1 55 55 ALA CA C 13 54.423 0.300 . 1 . . . . 55 ALA CA . 10268 1 610 . 1 1 55 55 ALA CB C 13 19.059 0.300 . 1 . . . . 55 ALA CB . 10268 1 611 . 1 1 55 55 ALA N N 15 123.470 0.300 . 1 . . . . 55 ALA N . 10268 1 612 . 1 1 56 56 GLN H H 1 8.727 0.030 . 1 . . . . 56 GLN H . 10268 1 613 . 1 1 56 56 GLN HA H 1 4.367 0.030 . 1 . . . . 56 GLN HA . 10268 1 614 . 1 1 56 56 GLN HB2 H 1 2.255 0.030 . 2 . . . . 56 GLN HB2 . 10268 1 615 . 1 1 56 56 GLN HB3 H 1 2.040 0.030 . 2 . . . . 56 GLN HB3 . 10268 1 616 . 1 1 56 56 GLN HE21 H 1 7.575 0.030 . 2 . . . . 56 GLN HE21 . 10268 1 617 . 1 1 56 56 GLN HE22 H 1 6.854 0.030 . 2 . . . . 56 GLN HE22 . 10268 1 618 . 1 1 56 56 GLN HG2 H 1 2.359 0.030 . 1 . . . . 56 GLN HG2 . 10268 1 619 . 1 1 56 56 GLN HG3 H 1 2.359 0.030 . 1 . . . . 56 GLN HG3 . 10268 1 620 . 1 1 56 56 GLN C C 13 176.134 0.300 . 1 . . . . 56 GLN C . 10268 1 621 . 1 1 56 56 GLN CA C 13 55.660 0.300 . 1 . . . . 56 GLN CA . 10268 1 622 . 1 1 56 56 GLN CB C 13 28.152 0.300 . 1 . . . . 56 GLN CB . 10268 1 623 . 1 1 56 56 GLN CG C 13 34.291 0.300 . 1 . . . . 56 GLN CG . 10268 1 624 . 1 1 56 56 GLN N N 15 114.221 0.300 . 1 . . . . 56 GLN N . 10268 1 625 . 1 1 56 56 GLN NE2 N 15 112.709 0.300 . 1 . . . . 56 GLN NE2 . 10268 1 626 . 1 1 57 57 VAL H H 1 7.204 0.030 . 1 . . . . 57 VAL H . 10268 1 627 . 1 1 57 57 VAL HA H 1 3.889 0.030 . 1 . . . . 57 VAL HA . 10268 1 628 . 1 1 57 57 VAL HB H 1 1.874 0.030 . 1 . . . . 57 VAL HB . 10268 1 629 . 1 1 57 57 VAL HG11 H 1 1.297 0.030 . 1 . . . . 57 VAL HG1 . 10268 1 630 . 1 1 57 57 VAL HG12 H 1 1.297 0.030 . 1 . . . . 57 VAL HG1 . 10268 1 631 . 1 1 57 57 VAL HG13 H 1 1.297 0.030 . 1 . . . . 57 VAL HG1 . 10268 1 632 . 1 1 57 57 VAL HG21 H 1 0.757 0.030 . 1 . . . . 57 VAL HG2 . 10268 1 633 . 1 1 57 57 VAL HG22 H 1 0.757 0.030 . 1 . . . . 57 VAL HG2 . 10268 1 634 . 1 1 57 57 VAL HG23 H 1 0.757 0.030 . 1 . . . . 57 VAL HG2 . 10268 1 635 . 1 1 57 57 VAL C C 13 175.371 0.300 . 1 . . . . 57 VAL C . 10268 1 636 . 1 1 57 57 VAL CA C 13 63.908 0.300 . 1 . . . . 57 VAL CA . 10268 1 637 . 1 1 57 57 VAL CB C 13 31.557 0.300 . 1 . . . . 57 VAL CB . 10268 1 638 . 1 1 57 57 VAL CG1 C 13 24.529 0.300 . 2 . . . . 57 VAL CG1 . 10268 1 639 . 1 1 57 57 VAL CG2 C 13 21.696 0.300 . 2 . . . . 57 VAL CG2 . 10268 1 640 . 1 1 57 57 VAL N N 15 121.341 0.300 . 1 . . . . 57 VAL N . 10268 1 641 . 1 1 58 58 ALA H H 1 8.920 0.030 . 1 . . . . 58 ALA H . 10268 1 642 . 1 1 58 58 ALA HA H 1 4.547 0.030 . 1 . . . . 58 ALA HA . 10268 1 643 . 1 1 58 58 ALA HB1 H 1 1.625 0.030 . 1 . . . . 58 ALA HB . 10268 1 644 . 1 1 58 58 ALA HB2 H 1 1.625 0.030 . 1 . . . . 58 ALA HB . 10268 1 645 . 1 1 58 58 ALA HB3 H 1 1.625 0.030 . 1 . . . . 58 ALA HB . 10268 1 646 . 1 1 58 58 ALA C C 13 177.064 0.300 . 1 . . . . 58 ALA C . 10268 1 647 . 1 1 58 58 ALA CA C 13 51.173 0.300 . 1 . . . . 58 ALA CA . 10268 1 648 . 1 1 58 58 ALA CB C 13 17.842 0.300 . 1 . . . . 58 ALA CB . 10268 1 649 . 1 1 58 58 ALA N N 15 132.726 0.300 . 1 . . . . 58 ALA N . 10268 1 650 . 1 1 59 59 PRO HA H 1 4.101 0.030 . 1 . . . . 59 PRO HA . 10268 1 651 . 1 1 59 59 PRO HB2 H 1 2.410 0.030 . 2 . . . . 59 PRO HB2 . 10268 1 652 . 1 1 59 59 PRO HB3 H 1 2.008 0.030 . 2 . . . . 59 PRO HB3 . 10268 1 653 . 1 1 59 59 PRO HD2 H 1 4.002 0.030 . 2 . . . . 59 PRO HD2 . 10268 1 654 . 1 1 59 59 PRO HD3 H 1 3.917 0.030 . 2 . . . . 59 PRO HD3 . 10268 1 655 . 1 1 59 59 PRO HG2 H 1 2.258 0.030 . 2 . . . . 59 PRO HG2 . 10268 1 656 . 1 1 59 59 PRO HG3 H 1 2.106 0.030 . 2 . . . . 59 PRO HG3 . 10268 1 657 . 1 1 59 59 PRO C C 13 179.482 0.300 . 1 . . . . 59 PRO C . 10268 1 658 . 1 1 59 59 PRO CA C 13 66.060 0.300 . 1 . . . . 59 PRO CA . 10268 1 659 . 1 1 59 59 PRO CB C 13 31.951 0.300 . 1 . . . . 59 PRO CB . 10268 1 660 . 1 1 59 59 PRO CD C 13 50.806 0.300 . 1 . . . . 59 PRO CD . 10268 1 661 . 1 1 59 59 PRO CG C 13 27.795 0.300 . 1 . . . . 59 PRO CG . 10268 1 662 . 1 1 60 60 ALA H H 1 8.706 0.030 . 1 . . . . 60 ALA H . 10268 1 663 . 1 1 60 60 ALA HA H 1 4.057 0.030 . 1 . . . . 60 ALA HA . 10268 1 664 . 1 1 60 60 ALA HB1 H 1 1.487 0.030 . 1 . . . . 60 ALA HB . 10268 1 665 . 1 1 60 60 ALA HB2 H 1 1.487 0.030 . 1 . . . . 60 ALA HB . 10268 1 666 . 1 1 60 60 ALA HB3 H 1 1.487 0.030 . 1 . . . . 60 ALA HB . 10268 1 667 . 1 1 60 60 ALA C C 13 179.627 0.300 . 1 . . . . 60 ALA C . 10268 1 668 . 1 1 60 60 ALA CA C 13 55.305 0.300 . 1 . . . . 60 ALA CA . 10268 1 669 . 1 1 60 60 ALA CB C 13 18.737 0.300 . 1 . . . . 60 ALA CB . 10268 1 670 . 1 1 60 60 ALA N N 15 117.882 0.300 . 1 . . . . 60 ALA N . 10268 1 671 . 1 1 61 61 THR H H 1 7.312 0.030 . 1 . . . . 61 THR H . 10268 1 672 . 1 1 61 61 THR HA H 1 4.153 0.030 . 1 . . . . 61 THR HA . 10268 1 673 . 1 1 61 61 THR HB H 1 4.283 0.030 . 1 . . . . 61 THR HB . 10268 1 674 . 1 1 61 61 THR HG21 H 1 1.182 0.030 . 1 . . . . 61 THR HG2 . 10268 1 675 . 1 1 61 61 THR HG22 H 1 1.182 0.030 . 1 . . . . 61 THR HG2 . 10268 1 676 . 1 1 61 61 THR HG23 H 1 1.182 0.030 . 1 . . . . 61 THR HG2 . 10268 1 677 . 1 1 61 61 THR C C 13 175.824 0.300 . 1 . . . . 61 THR C . 10268 1 678 . 1 1 61 61 THR CA C 13 66.412 0.300 . 1 . . . . 61 THR CA . 10268 1 679 . 1 1 61 61 THR CB C 13 68.787 0.300 . 1 . . . . 61 THR CB . 10268 1 680 . 1 1 61 61 THR CG2 C 13 23.836 0.300 . 1 . . . . 61 THR CG2 . 10268 1 681 . 1 1 61 61 THR N N 15 114.483 0.300 . 1 . . . . 61 THR N . 10268 1 682 . 1 1 62 62 LYS H H 1 7.556 0.030 . 1 . . . . 62 LYS H . 10268 1 683 . 1 1 62 62 LYS HA H 1 3.943 0.030 . 1 . . . . 62 LYS HA . 10268 1 684 . 1 1 62 62 LYS HB2 H 1 1.836 0.030 . 2 . . . . 62 LYS HB2 . 10268 1 685 . 1 1 62 62 LYS HB3 H 1 1.698 0.030 . 2 . . . . 62 LYS HB3 . 10268 1 686 . 1 1 62 62 LYS HD2 H 1 1.575 0.030 . 1 . . . . 62 LYS HD2 . 10268 1 687 . 1 1 62 62 LYS HD3 H 1 1.575 0.030 . 1 . . . . 62 LYS HD3 . 10268 1 688 . 1 1 62 62 LYS HE2 H 1 2.841 0.030 . 2 . . . . 62 LYS HE2 . 10268 1 689 . 1 1 62 62 LYS HE3 H 1 2.714 0.030 . 2 . . . . 62 LYS HE3 . 10268 1 690 . 1 1 62 62 LYS HG2 H 1 1.180 0.030 . 2 . . . . 62 LYS HG2 . 10268 1 691 . 1 1 62 62 LYS HG3 H 1 0.785 0.030 . 2 . . . . 62 LYS HG3 . 10268 1 692 . 1 1 62 62 LYS C C 13 176.884 0.300 . 1 . . . . 62 LYS C . 10268 1 693 . 1 1 62 62 LYS CA C 13 59.095 0.300 . 1 . . . . 62 LYS CA . 10268 1 694 . 1 1 62 62 LYS CB C 13 32.204 0.300 . 1 . . . . 62 LYS CB . 10268 1 695 . 1 1 62 62 LYS CD C 13 29.737 0.300 . 1 . . . . 62 LYS CD . 10268 1 696 . 1 1 62 62 LYS CE C 13 41.858 0.300 . 1 . . . . 62 LYS CE . 10268 1 697 . 1 1 62 62 LYS CG C 13 26.150 0.300 . 1 . . . . 62 LYS CG . 10268 1 698 . 1 1 62 62 LYS N N 15 118.994 0.300 . 1 . . . . 62 LYS N . 10268 1 699 . 1 1 63 63 ARG H H 1 7.474 0.030 . 1 . . . . 63 ARG H . 10268 1 700 . 1 1 63 63 ARG HA H 1 4.034 0.030 . 1 . . . . 63 ARG HA . 10268 1 701 . 1 1 63 63 ARG HB2 H 1 1.844 0.030 . 2 . . . . 63 ARG HB2 . 10268 1 702 . 1 1 63 63 ARG HB3 H 1 1.743 0.030 . 2 . . . . 63 ARG HB3 . 10268 1 703 . 1 1 63 63 ARG HD2 H 1 3.204 0.030 . 2 . . . . 63 ARG HD2 . 10268 1 704 . 1 1 63 63 ARG HD3 H 1 3.159 0.030 . 2 . . . . 63 ARG HD3 . 10268 1 705 . 1 1 63 63 ARG HG2 H 1 1.636 0.030 . 2 . . . . 63 ARG HG2 . 10268 1 706 . 1 1 63 63 ARG HG3 H 1 1.466 0.030 . 2 . . . . 63 ARG HG3 . 10268 1 707 . 1 1 63 63 ARG C C 13 177.574 0.300 . 1 . . . . 63 ARG C . 10268 1 708 . 1 1 63 63 ARG CA C 13 58.143 0.300 . 1 . . . . 63 ARG CA . 10268 1 709 . 1 1 63 63 ARG CB C 13 30.755 0.300 . 1 . . . . 63 ARG CB . 10268 1 710 . 1 1 63 63 ARG CD C 13 43.454 0.300 . 1 . . . . 63 ARG CD . 10268 1 711 . 1 1 63 63 ARG CG C 13 28.181 0.300 . 1 . . . . 63 ARG CG . 10268 1 712 . 1 1 63 63 ARG N N 15 114.251 0.300 . 1 . . . . 63 ARG N . 10268 1 713 . 1 1 64 64 LEU H H 1 6.991 0.030 . 1 . . . . 64 LEU H . 10268 1 714 . 1 1 64 64 LEU HA H 1 3.904 0.030 . 1 . . . . 64 LEU HA . 10268 1 715 . 1 1 64 64 LEU HB2 H 1 1.100 0.030 . 2 . . . . 64 LEU HB2 . 10268 1 716 . 1 1 64 64 LEU HB3 H 1 0.547 0.030 . 2 . . . . 64 LEU HB3 . 10268 1 717 . 1 1 64 64 LEU HD11 H 1 0.781 0.030 . 1 . . . . 64 LEU HD1 . 10268 1 718 . 1 1 64 64 LEU HD12 H 1 0.781 0.030 . 1 . . . . 64 LEU HD1 . 10268 1 719 . 1 1 64 64 LEU HD13 H 1 0.781 0.030 . 1 . . . . 64 LEU HD1 . 10268 1 720 . 1 1 64 64 LEU HD21 H 1 0.648 0.030 . 1 . . . . 64 LEU HD2 . 10268 1 721 . 1 1 64 64 LEU HD22 H 1 0.648 0.030 . 1 . . . . 64 LEU HD2 . 10268 1 722 . 1 1 64 64 LEU HD23 H 1 0.648 0.030 . 1 . . . . 64 LEU HD2 . 10268 1 723 . 1 1 64 64 LEU HG H 1 1.712 0.030 . 1 . . . . 64 LEU HG . 10268 1 724 . 1 1 64 64 LEU C C 13 176.632 0.300 . 1 . . . . 64 LEU C . 10268 1 725 . 1 1 64 64 LEU CA C 13 56.503 0.300 . 1 . . . . 64 LEU CA . 10268 1 726 . 1 1 64 64 LEU CB C 13 42.929 0.300 . 1 . . . . 64 LEU CB . 10268 1 727 . 1 1 64 64 LEU CD1 C 13 25.946 0.300 . 2 . . . . 64 LEU CD1 . 10268 1 728 . 1 1 64 64 LEU CD2 C 13 22.987 0.300 . 2 . . . . 64 LEU CD2 . 10268 1 729 . 1 1 64 64 LEU CG C 13 26.402 0.300 . 1 . . . . 64 LEU CG . 10268 1 730 . 1 1 64 64 LEU N N 15 116.109 0.300 . 1 . . . . 64 LEU N . 10268 1 731 . 1 1 65 65 PHE H H 1 7.673 0.030 . 1 . . . . 65 PHE H . 10268 1 732 . 1 1 65 65 PHE HA H 1 5.386 0.030 . 1 . . . . 65 PHE HA . 10268 1 733 . 1 1 65 65 PHE HB2 H 1 2.885 0.030 . 2 . . . . 65 PHE HB2 . 10268 1 734 . 1 1 65 65 PHE HB3 H 1 2.605 0.030 . 2 . . . . 65 PHE HB3 . 10268 1 735 . 1 1 65 65 PHE HD1 H 1 7.096 0.030 . 1 . . . . 65 PHE HD1 . 10268 1 736 . 1 1 65 65 PHE HD2 H 1 7.096 0.030 . 1 . . . . 65 PHE HD2 . 10268 1 737 . 1 1 65 65 PHE HE1 H 1 6.346 0.030 . 1 . . . . 65 PHE HE1 . 10268 1 738 . 1 1 65 65 PHE HE2 H 1 6.346 0.030 . 1 . . . . 65 PHE HE2 . 10268 1 739 . 1 1 65 65 PHE HZ H 1 6.616 0.030 . 1 . . . . 65 PHE HZ . 10268 1 740 . 1 1 65 65 PHE C C 13 173.067 0.300 . 1 . . . . 65 PHE C . 10268 1 741 . 1 1 65 65 PHE CA C 13 56.521 0.300 . 1 . . . . 65 PHE CA . 10268 1 742 . 1 1 65 65 PHE CB C 13 41.270 0.300 . 1 . . . . 65 PHE CB . 10268 1 743 . 1 1 65 65 PHE CD1 C 13 132.412 0.300 . 1 . . . . 65 PHE CD1 . 10268 1 744 . 1 1 65 65 PHE CD2 C 13 132.412 0.300 . 1 . . . . 65 PHE CD2 . 10268 1 745 . 1 1 65 65 PHE CE1 C 13 129.768 0.300 . 1 . . . . 65 PHE CE1 . 10268 1 746 . 1 1 65 65 PHE CE2 C 13 129.768 0.300 . 1 . . . . 65 PHE CE2 . 10268 1 747 . 1 1 65 65 PHE CZ C 13 129.210 0.300 . 1 . . . . 65 PHE CZ . 10268 1 748 . 1 1 65 65 PHE N N 15 116.182 0.300 . 1 . . . . 65 PHE N . 10268 1 749 . 1 1 66 66 ALA H H 1 8.914 0.030 . 1 . . . . 66 ALA H . 10268 1 750 . 1 1 66 66 ALA HA H 1 4.748 0.030 . 1 . . . . 66 ALA HA . 10268 1 751 . 1 1 66 66 ALA HB1 H 1 1.228 0.030 . 1 . . . . 66 ALA HB . 10268 1 752 . 1 1 66 66 ALA HB2 H 1 1.228 0.030 . 1 . . . . 66 ALA HB . 10268 1 753 . 1 1 66 66 ALA HB3 H 1 1.228 0.030 . 1 . . . . 66 ALA HB . 10268 1 754 . 1 1 66 66 ALA C C 13 175.223 0.300 . 1 . . . . 66 ALA C . 10268 1 755 . 1 1 66 66 ALA CA C 13 50.050 0.300 . 1 . . . . 66 ALA CA . 10268 1 756 . 1 1 66 66 ALA CB C 13 21.161 0.300 . 1 . . . . 66 ALA CB . 10268 1 757 . 1 1 66 66 ALA N N 15 122.870 0.300 . 1 . . . . 66 ALA N . 10268 1 758 . 1 1 67 67 LEU H H 1 8.498 0.030 . 1 . . . . 67 LEU H . 10268 1 759 . 1 1 67 67 LEU HA H 1 4.713 0.030 . 1 . . . . 67 LEU HA . 10268 1 760 . 1 1 67 67 LEU HB2 H 1 1.008 0.030 . 2 . . . . 67 LEU HB2 . 10268 1 761 . 1 1 67 67 LEU HB3 H 1 0.432 0.030 . 2 . . . . 67 LEU HB3 . 10268 1 762 . 1 1 67 67 LEU HD11 H 1 0.289 0.030 . 1 . . . . 67 LEU HD1 . 10268 1 763 . 1 1 67 67 LEU HD12 H 1 0.289 0.030 . 1 . . . . 67 LEU HD1 . 10268 1 764 . 1 1 67 67 LEU HD13 H 1 0.289 0.030 . 1 . . . . 67 LEU HD1 . 10268 1 765 . 1 1 67 67 LEU HD21 H 1 0.060 0.030 . 1 . . . . 67 LEU HD2 . 10268 1 766 . 1 1 67 67 LEU HD22 H 1 0.060 0.030 . 1 . . . . 67 LEU HD2 . 10268 1 767 . 1 1 67 67 LEU HD23 H 1 0.060 0.030 . 1 . . . . 67 LEU HD2 . 10268 1 768 . 1 1 67 67 LEU HG H 1 0.744 0.030 . 1 . . . . 67 LEU HG . 10268 1 769 . 1 1 67 67 LEU C C 13 175.146 0.300 . 1 . . . . 67 LEU C . 10268 1 770 . 1 1 67 67 LEU CA C 13 52.518 0.300 . 1 . . . . 67 LEU CA . 10268 1 771 . 1 1 67 67 LEU CB C 13 45.308 0.300 . 1 . . . . 67 LEU CB . 10268 1 772 . 1 1 67 67 LEU CD1 C 13 22.963 0.300 . 2 . . . . 67 LEU CD1 . 10268 1 773 . 1 1 67 67 LEU CD2 C 13 27.224 0.300 . 2 . . . . 67 LEU CD2 . 10268 1 774 . 1 1 67 67 LEU CG C 13 27.070 0.300 . 1 . . . . 67 LEU CG . 10268 1 775 . 1 1 67 67 LEU N N 15 122.208 0.300 . 1 . . . . 67 LEU N . 10268 1 776 . 1 1 68 68 ASN H H 1 8.357 0.030 . 1 . . . . 68 ASN H . 10268 1 777 . 1 1 68 68 ASN HA H 1 4.679 0.030 . 1 . . . . 68 ASN HA . 10268 1 778 . 1 1 68 68 ASN HB2 H 1 3.107 0.030 . 2 . . . . 68 ASN HB2 . 10268 1 779 . 1 1 68 68 ASN HB3 H 1 2.604 0.030 . 2 . . . . 68 ASN HB3 . 10268 1 780 . 1 1 68 68 ASN HD21 H 1 7.724 0.030 . 2 . . . . 68 ASN HD21 . 10268 1 781 . 1 1 68 68 ASN HD22 H 1 7.188 0.030 . 2 . . . . 68 ASN HD22 . 10268 1 782 . 1 1 68 68 ASN C C 13 176.228 0.300 . 1 . . . . 68 ASN C . 10268 1 783 . 1 1 68 68 ASN CA C 13 53.524 0.300 . 1 . . . . 68 ASN CA . 10268 1 784 . 1 1 68 68 ASN CB C 13 39.580 0.300 . 1 . . . . 68 ASN CB . 10268 1 785 . 1 1 68 68 ASN N N 15 126.940 0.300 . 1 . . . . 68 ASN N . 10268 1 786 . 1 1 68 68 ASN ND2 N 15 115.463 0.300 . 1 . . . . 68 ASN ND2 . 10268 1 787 . 1 1 69 69 ASN H H 1 8.861 0.030 . 1 . . . . 69 ASN H . 10268 1 788 . 1 1 69 69 ASN HA H 1 5.137 0.030 . 1 . . . . 69 ASN HA . 10268 1 789 . 1 1 69 69 ASN HB2 H 1 3.028 0.030 . 2 . . . . 69 ASN HB2 . 10268 1 790 . 1 1 69 69 ASN HB3 H 1 2.906 0.030 . 2 . . . . 69 ASN HB3 . 10268 1 791 . 1 1 69 69 ASN HD21 H 1 8.156 0.030 . 2 . . . . 69 ASN HD21 . 10268 1 792 . 1 1 69 69 ASN HD22 H 1 7.064 0.030 . 2 . . . . 69 ASN HD22 . 10268 1 793 . 1 1 69 69 ASN C C 13 175.631 0.300 . 1 . . . . 69 ASN C . 10268 1 794 . 1 1 69 69 ASN CA C 13 56.009 0.300 . 1 . . . . 69 ASN CA . 10268 1 795 . 1 1 69 69 ASN CB C 13 40.314 0.300 . 1 . . . . 69 ASN CB . 10268 1 796 . 1 1 69 69 ASN N N 15 124.980 0.300 . 1 . . . . 69 ASN N . 10268 1 797 . 1 1 69 69 ASN ND2 N 15 110.727 0.300 . 1 . . . . 69 ASN ND2 . 10268 1 798 . 1 1 70 70 THR H H 1 8.635 0.030 . 1 . . . . 70 THR H . 10268 1 799 . 1 1 70 70 THR HA H 1 4.815 0.030 . 1 . . . . 70 THR HA . 10268 1 800 . 1 1 70 70 THR HB H 1 4.367 0.030 . 1 . . . . 70 THR HB . 10268 1 801 . 1 1 70 70 THR HG21 H 1 1.259 0.030 . 1 . . . . 70 THR HG2 . 10268 1 802 . 1 1 70 70 THR HG22 H 1 1.259 0.030 . 1 . . . . 70 THR HG2 . 10268 1 803 . 1 1 70 70 THR HG23 H 1 1.259 0.030 . 1 . . . . 70 THR HG2 . 10268 1 804 . 1 1 70 70 THR C C 13 176.223 0.300 . 1 . . . . 70 THR C . 10268 1 805 . 1 1 70 70 THR CA C 13 63.944 0.300 . 1 . . . . 70 THR CA . 10268 1 806 . 1 1 70 70 THR CB C 13 69.727 0.300 . 1 . . . . 70 THR CB . 10268 1 807 . 1 1 70 70 THR CG2 C 13 21.779 0.300 . 1 . . . . 70 THR CG2 . 10268 1 808 . 1 1 70 70 THR N N 15 110.394 0.300 . 1 . . . . 70 THR N . 10268 1 809 . 1 1 71 71 THR H H 1 8.069 0.030 . 1 . . . . 71 THR H . 10268 1 810 . 1 1 71 71 THR HA H 1 4.566 0.030 . 1 . . . . 71 THR HA . 10268 1 811 . 1 1 71 71 THR HB H 1 4.320 0.030 . 1 . . . . 71 THR HB . 10268 1 812 . 1 1 71 71 THR HG21 H 1 1.156 0.030 . 1 . . . . 71 THR HG2 . 10268 1 813 . 1 1 71 71 THR HG22 H 1 1.156 0.030 . 1 . . . . 71 THR HG2 . 10268 1 814 . 1 1 71 71 THR HG23 H 1 1.156 0.030 . 1 . . . . 71 THR HG2 . 10268 1 815 . 1 1 71 71 THR C C 13 176.213 0.300 . 1 . . . . 71 THR C . 10268 1 816 . 1 1 71 71 THR CA C 13 61.683 0.300 . 1 . . . . 71 THR CA . 10268 1 817 . 1 1 71 71 THR CB C 13 70.832 0.300 . 1 . . . . 71 THR CB . 10268 1 818 . 1 1 71 71 THR CG2 C 13 20.842 0.300 . 1 . . . . 71 THR CG2 . 10268 1 819 . 1 1 71 71 THR N N 15 110.507 0.300 . 1 . . . . 71 THR N . 10268 1 820 . 1 1 72 72 GLY H H 1 7.990 0.030 . 1 . . . . 72 GLY H . 10268 1 821 . 1 1 72 72 GLY HA2 H 1 3.186 0.030 . 2 . . . . 72 GLY HA2 . 10268 1 822 . 1 1 72 72 GLY HA3 H 1 2.516 0.030 . 2 . . . . 72 GLY HA3 . 10268 1 823 . 1 1 72 72 GLY C C 13 172.988 0.300 . 1 . . . . 72 GLY C . 10268 1 824 . 1 1 72 72 GLY CA C 13 45.149 0.300 . 1 . . . . 72 GLY CA . 10268 1 825 . 1 1 72 72 GLY N N 15 110.788 0.300 . 1 . . . . 72 GLY N . 10268 1 826 . 1 1 73 73 LEU H H 1 7.138 0.030 . 1 . . . . 73 LEU H . 10268 1 827 . 1 1 73 73 LEU HA H 1 4.414 0.030 . 1 . . . . 73 LEU HA . 10268 1 828 . 1 1 73 73 LEU HB2 H 1 1.614 0.030 . 2 . . . . 73 LEU HB2 . 10268 1 829 . 1 1 73 73 LEU HB3 H 1 1.246 0.030 . 2 . . . . 73 LEU HB3 . 10268 1 830 . 1 1 73 73 LEU HD11 H 1 0.805 0.030 . 1 . . . . 73 LEU HD1 . 10268 1 831 . 1 1 73 73 LEU HD12 H 1 0.805 0.030 . 1 . . . . 73 LEU HD1 . 10268 1 832 . 1 1 73 73 LEU HD13 H 1 0.805 0.030 . 1 . . . . 73 LEU HD1 . 10268 1 833 . 1 1 73 73 LEU HD21 H 1 0.768 0.030 . 1 . . . . 73 LEU HD2 . 10268 1 834 . 1 1 73 73 LEU HD22 H 1 0.768 0.030 . 1 . . . . 73 LEU HD2 . 10268 1 835 . 1 1 73 73 LEU HD23 H 1 0.768 0.030 . 1 . . . . 73 LEU HD2 . 10268 1 836 . 1 1 73 73 LEU HG H 1 1.264 0.030 . 1 . . . . 73 LEU HG . 10268 1 837 . 1 1 73 73 LEU C C 13 176.836 0.300 . 1 . . . . 73 LEU C . 10268 1 838 . 1 1 73 73 LEU CA C 13 55.252 0.300 . 1 . . . . 73 LEU CA . 10268 1 839 . 1 1 73 73 LEU CB C 13 43.574 0.300 . 1 . . . . 73 LEU CB . 10268 1 840 . 1 1 73 73 LEU CD1 C 13 25.948 0.300 . 2 . . . . 73 LEU CD1 . 10268 1 841 . 1 1 73 73 LEU CD2 C 13 22.191 0.300 . 2 . . . . 73 LEU CD2 . 10268 1 842 . 1 1 73 73 LEU CG C 13 27.005 0.300 . 1 . . . . 73 LEU CG . 10268 1 843 . 1 1 73 73 LEU N N 15 119.222 0.300 . 1 . . . . 73 LEU N . 10268 1 844 . 1 1 74 74 ILE H H 1 8.925 0.030 . 1 . . . . 74 ILE H . 10268 1 845 . 1 1 74 74 ILE HA H 1 5.555 0.030 . 1 . . . . 74 ILE HA . 10268 1 846 . 1 1 74 74 ILE HB H 1 1.727 0.030 . 1 . . . . 74 ILE HB . 10268 1 847 . 1 1 74 74 ILE HD11 H 1 0.591 0.030 . 1 . . . . 74 ILE HD1 . 10268 1 848 . 1 1 74 74 ILE HD12 H 1 0.591 0.030 . 1 . . . . 74 ILE HD1 . 10268 1 849 . 1 1 74 74 ILE HD13 H 1 0.591 0.030 . 1 . . . . 74 ILE HD1 . 10268 1 850 . 1 1 74 74 ILE HG12 H 1 1.699 0.030 . 2 . . . . 74 ILE HG12 . 10268 1 851 . 1 1 74 74 ILE HG13 H 1 0.729 0.030 . 2 . . . . 74 ILE HG13 . 10268 1 852 . 1 1 74 74 ILE HG21 H 1 0.784 0.030 . 1 . . . . 74 ILE HG2 . 10268 1 853 . 1 1 74 74 ILE HG22 H 1 0.784 0.030 . 1 . . . . 74 ILE HG2 . 10268 1 854 . 1 1 74 74 ILE HG23 H 1 0.784 0.030 . 1 . . . . 74 ILE HG2 . 10268 1 855 . 1 1 74 74 ILE C C 13 175.978 0.300 . 1 . . . . 74 ILE C . 10268 1 856 . 1 1 74 74 ILE CA C 13 60.100 0.300 . 1 . . . . 74 ILE CA . 10268 1 857 . 1 1 74 74 ILE CB C 13 38.550 0.300 . 1 . . . . 74 ILE CB . 10268 1 858 . 1 1 74 74 ILE CD1 C 13 12.837 0.300 . 1 . . . . 74 ILE CD1 . 10268 1 859 . 1 1 74 74 ILE CG1 C 13 28.993 0.300 . 1 . . . . 74 ILE CG1 . 10268 1 860 . 1 1 74 74 ILE CG2 C 13 16.841 0.300 . 1 . . . . 74 ILE CG2 . 10268 1 861 . 1 1 74 74 ILE N N 15 129.871 0.300 . 1 . . . . 74 ILE N . 10268 1 862 . 1 1 75 75 THR H H 1 9.161 0.030 . 1 . . . . 75 THR H . 10268 1 863 . 1 1 75 75 THR HA H 1 5.375 0.030 . 1 . . . . 75 THR HA . 10268 1 864 . 1 1 75 75 THR HB H 1 3.761 0.030 . 1 . . . . 75 THR HB . 10268 1 865 . 1 1 75 75 THR HG21 H 1 1.053 0.030 . 1 . . . . 75 THR HG2 . 10268 1 866 . 1 1 75 75 THR HG22 H 1 1.053 0.030 . 1 . . . . 75 THR HG2 . 10268 1 867 . 1 1 75 75 THR HG23 H 1 1.053 0.030 . 1 . . . . 75 THR HG2 . 10268 1 868 . 1 1 75 75 THR C C 13 174.798 0.300 . 1 . . . . 75 THR C . 10268 1 869 . 1 1 75 75 THR CA C 13 58.796 0.300 . 1 . . . . 75 THR CA . 10268 1 870 . 1 1 75 75 THR CB C 13 72.978 0.300 . 1 . . . . 75 THR CB . 10268 1 871 . 1 1 75 75 THR CG2 C 13 22.871 0.300 . 1 . . . . 75 THR CG2 . 10268 1 872 . 1 1 75 75 THR N N 15 117.522 0.300 . 1 . . . . 75 THR N . 10268 1 873 . 1 1 76 76 VAL H H 1 8.327 0.030 . 1 . . . . 76 VAL H . 10268 1 874 . 1 1 76 76 VAL HA H 1 3.973 0.030 . 1 . . . . 76 VAL HA . 10268 1 875 . 1 1 76 76 VAL HB H 1 2.031 0.030 . 1 . . . . 76 VAL HB . 10268 1 876 . 1 1 76 76 VAL HG11 H 1 0.950 0.030 . 1 . . . . 76 VAL HG1 . 10268 1 877 . 1 1 76 76 VAL HG12 H 1 0.950 0.030 . 1 . . . . 76 VAL HG1 . 10268 1 878 . 1 1 76 76 VAL HG13 H 1 0.950 0.030 . 1 . . . . 76 VAL HG1 . 10268 1 879 . 1 1 76 76 VAL HG21 H 1 0.844 0.030 . 1 . . . . 76 VAL HG2 . 10268 1 880 . 1 1 76 76 VAL HG22 H 1 0.844 0.030 . 1 . . . . 76 VAL HG2 . 10268 1 881 . 1 1 76 76 VAL HG23 H 1 0.844 0.030 . 1 . . . . 76 VAL HG2 . 10268 1 882 . 1 1 76 76 VAL C C 13 176.495 0.300 . 1 . . . . 76 VAL C . 10268 1 883 . 1 1 76 76 VAL CA C 13 64.085 0.300 . 1 . . . . 76 VAL CA . 10268 1 884 . 1 1 76 76 VAL CB C 13 32.863 0.300 . 1 . . . . 76 VAL CB . 10268 1 885 . 1 1 76 76 VAL CG1 C 13 22.685 0.300 . 2 . . . . 76 VAL CG1 . 10268 1 886 . 1 1 76 76 VAL CG2 C 13 22.136 0.300 . 2 . . . . 76 VAL CG2 . 10268 1 887 . 1 1 76 76 VAL N N 15 120.876 0.300 . 1 . . . . 76 VAL N . 10268 1 888 . 1 1 77 77 GLN H H 1 9.525 0.030 . 1 . . . . 77 GLN H . 10268 1 889 . 1 1 77 77 GLN HA H 1 4.702 0.030 . 1 . . . . 77 GLN HA . 10268 1 890 . 1 1 77 77 GLN HB2 H 1 2.106 0.030 . 2 . . . . 77 GLN HB2 . 10268 1 891 . 1 1 77 77 GLN HB3 H 1 1.629 0.030 . 2 . . . . 77 GLN HB3 . 10268 1 892 . 1 1 77 77 GLN HE21 H 1 6.761 0.030 . 2 . . . . 77 GLN HE21 . 10268 1 893 . 1 1 77 77 GLN HE22 H 1 6.460 0.030 . 2 . . . . 77 GLN HE22 . 10268 1 894 . 1 1 77 77 GLN HG2 H 1 2.122 0.030 . 2 . . . . 77 GLN HG2 . 10268 1 895 . 1 1 77 77 GLN HG3 H 1 2.068 0.030 . 2 . . . . 77 GLN HG3 . 10268 1 896 . 1 1 77 77 GLN C C 13 173.838 0.300 . 1 . . . . 77 GLN C . 10268 1 897 . 1 1 77 77 GLN CA C 13 55.728 0.300 . 1 . . . . 77 GLN CA . 10268 1 898 . 1 1 77 77 GLN CB C 13 30.762 0.300 . 1 . . . . 77 GLN CB . 10268 1 899 . 1 1 77 77 GLN CG C 13 33.399 0.300 . 1 . . . . 77 GLN CG . 10268 1 900 . 1 1 77 77 GLN N N 15 129.825 0.300 . 1 . . . . 77 GLN N . 10268 1 901 . 1 1 77 77 GLN NE2 N 15 111.466 0.300 . 1 . . . . 77 GLN NE2 . 10268 1 902 . 1 1 78 78 ARG H H 1 7.621 0.030 . 1 . . . . 78 ARG H . 10268 1 903 . 1 1 78 78 ARG HA H 1 4.347 0.030 . 1 . . . . 78 ARG HA . 10268 1 904 . 1 1 78 78 ARG HB2 H 1 1.809 0.030 . 2 . . . . 78 ARG HB2 . 10268 1 905 . 1 1 78 78 ARG HB3 H 1 1.573 0.030 . 2 . . . . 78 ARG HB3 . 10268 1 906 . 1 1 78 78 ARG HD2 H 1 3.161 0.030 . 2 . . . . 78 ARG HD2 . 10268 1 907 . 1 1 78 78 ARG HD3 H 1 3.035 0.030 . 2 . . . . 78 ARG HD3 . 10268 1 908 . 1 1 78 78 ARG HG2 H 1 1.653 0.030 . 2 . . . . 78 ARG HG2 . 10268 1 909 . 1 1 78 78 ARG HG3 H 1 1.588 0.030 . 2 . . . . 78 ARG HG3 . 10268 1 910 . 1 1 78 78 ARG C C 13 172.304 0.300 . 1 . . . . 78 ARG C . 10268 1 911 . 1 1 78 78 ARG CA C 13 54.634 0.300 . 1 . . . . 78 ARG CA . 10268 1 912 . 1 1 78 78 ARG CB C 13 34.685 0.300 . 1 . . . . 78 ARG CB . 10268 1 913 . 1 1 78 78 ARG CD C 13 43.536 0.300 . 1 . . . . 78 ARG CD . 10268 1 914 . 1 1 78 78 ARG CG C 13 28.042 0.300 . 1 . . . . 78 ARG CG . 10268 1 915 . 1 1 78 78 ARG N N 15 120.595 0.300 . 1 . . . . 78 ARG N . 10268 1 916 . 1 1 79 79 SER H H 1 7.958 0.030 . 1 . . . . 79 SER H . 10268 1 917 . 1 1 79 79 SER HA H 1 4.030 0.030 . 1 . . . . 79 SER HA . 10268 1 918 . 1 1 79 79 SER HB2 H 1 3.891 0.030 . 2 . . . . 79 SER HB2 . 10268 1 919 . 1 1 79 79 SER HB3 H 1 3.702 0.030 . 2 . . . . 79 SER HB3 . 10268 1 920 . 1 1 79 79 SER C C 13 174.311 0.300 . 1 . . . . 79 SER C . 10268 1 921 . 1 1 79 79 SER CA C 13 59.889 0.300 . 1 . . . . 79 SER CA . 10268 1 922 . 1 1 79 79 SER CB C 13 63.548 0.300 . 1 . . . . 79 SER CB . 10268 1 923 . 1 1 79 79 SER N N 15 112.565 0.300 . 1 . . . . 79 SER N . 10268 1 924 . 1 1 80 80 LEU H H 1 8.715 0.030 . 1 . . . . 80 LEU H . 10268 1 925 . 1 1 80 80 LEU HA H 1 4.114 0.030 . 1 . . . . 80 LEU HA . 10268 1 926 . 1 1 80 80 LEU HB2 H 1 2.468 0.030 . 2 . . . . 80 LEU HB2 . 10268 1 927 . 1 1 80 80 LEU HB3 H 1 1.283 0.030 . 2 . . . . 80 LEU HB3 . 10268 1 928 . 1 1 80 80 LEU HD11 H 1 0.999 0.030 . 1 . . . . 80 LEU HD1 . 10268 1 929 . 1 1 80 80 LEU HD12 H 1 0.999 0.030 . 1 . . . . 80 LEU HD1 . 10268 1 930 . 1 1 80 80 LEU HD13 H 1 0.999 0.030 . 1 . . . . 80 LEU HD1 . 10268 1 931 . 1 1 80 80 LEU HD21 H 1 0.642 0.030 . 1 . . . . 80 LEU HD2 . 10268 1 932 . 1 1 80 80 LEU HD22 H 1 0.642 0.030 . 1 . . . . 80 LEU HD2 . 10268 1 933 . 1 1 80 80 LEU HD23 H 1 0.642 0.030 . 1 . . . . 80 LEU HD2 . 10268 1 934 . 1 1 80 80 LEU HG H 1 1.918 0.030 . 1 . . . . 80 LEU HG . 10268 1 935 . 1 1 80 80 LEU C C 13 176.057 0.300 . 1 . . . . 80 LEU C . 10268 1 936 . 1 1 80 80 LEU CA C 13 55.091 0.300 . 1 . . . . 80 LEU CA . 10268 1 937 . 1 1 80 80 LEU CB C 13 42.341 0.300 . 1 . . . . 80 LEU CB . 10268 1 938 . 1 1 80 80 LEU CD1 C 13 26.704 0.300 . 2 . . . . 80 LEU CD1 . 10268 1 939 . 1 1 80 80 LEU CD2 C 13 25.240 0.300 . 2 . . . . 80 LEU CD2 . 10268 1 940 . 1 1 80 80 LEU CG C 13 26.661 0.300 . 1 . . . . 80 LEU CG . 10268 1 941 . 1 1 80 80 LEU N N 15 123.070 0.300 . 1 . . . . 80 LEU N . 10268 1 942 . 1 1 81 81 ASP H H 1 7.298 0.030 . 1 . . . . 81 ASP H . 10268 1 943 . 1 1 81 81 ASP HA H 1 4.725 0.030 . 1 . . . . 81 ASP HA . 10268 1 944 . 1 1 81 81 ASP HB2 H 1 2.731 0.030 . 1 . . . . 81 ASP HB2 . 10268 1 945 . 1 1 81 81 ASP HB3 H 1 2.731 0.030 . 1 . . . . 81 ASP HB3 . 10268 1 946 . 1 1 81 81 ASP C C 13 175.939 0.300 . 1 . . . . 81 ASP C . 10268 1 947 . 1 1 81 81 ASP CA C 13 53.664 0.300 . 1 . . . . 81 ASP CA . 10268 1 948 . 1 1 81 81 ASP CB C 13 42.947 0.300 . 1 . . . . 81 ASP CB . 10268 1 949 . 1 1 81 81 ASP N N 15 115.229 0.300 . 1 . . . . 81 ASP N . 10268 1 950 . 1 1 82 82 ARG H H 1 9.289 0.030 . 1 . . . . 82 ARG H . 10268 1 951 . 1 1 82 82 ARG HA H 1 4.416 0.030 . 1 . . . . 82 ARG HA . 10268 1 952 . 1 1 82 82 ARG HB2 H 1 1.860 0.030 . 2 . . . . 82 ARG HB2 . 10268 1 953 . 1 1 82 82 ARG HB3 H 1 1.656 0.030 . 2 . . . . 82 ARG HB3 . 10268 1 954 . 1 1 82 82 ARG HD2 H 1 3.170 0.030 . 2 . . . . 82 ARG HD2 . 10268 1 955 . 1 1 82 82 ARG HD3 H 1 3.034 0.030 . 2 . . . . 82 ARG HD3 . 10268 1 956 . 1 1 82 82 ARG HE H 1 7.443 0.030 . 1 . . . . 82 ARG HE . 10268 1 957 . 1 1 82 82 ARG HG2 H 1 1.643 0.030 . 2 . . . . 82 ARG HG2 . 10268 1 958 . 1 1 82 82 ARG HG3 H 1 1.516 0.030 . 2 . . . . 82 ARG HG3 . 10268 1 959 . 1 1 82 82 ARG C C 13 176.406 0.300 . 1 . . . . 82 ARG C . 10268 1 960 . 1 1 82 82 ARG CA C 13 56.397 0.300 . 1 . . . . 82 ARG CA . 10268 1 961 . 1 1 82 82 ARG CB C 13 30.638 0.300 . 1 . . . . 82 ARG CB . 10268 1 962 . 1 1 82 82 ARG CD C 13 43.536 0.300 . 1 . . . . 82 ARG CD . 10268 1 963 . 1 1 82 82 ARG CG C 13 27.557 0.300 . 1 . . . . 82 ARG CG . 10268 1 964 . 1 1 82 82 ARG N N 15 123.174 0.300 . 1 . . . . 82 ARG N . 10268 1 965 . 1 1 82 82 ARG NE N 15 83.988 0.300 . 1 . . . . 82 ARG NE . 10268 1 966 . 1 1 83 83 GLU H H 1 8.468 0.030 . 1 . . . . 83 GLU H . 10268 1 967 . 1 1 83 83 GLU HA H 1 3.982 0.030 . 1 . . . . 83 GLU HA . 10268 1 968 . 1 1 83 83 GLU HB2 H 1 2.043 0.030 . 1 . . . . 83 GLU HB2 . 10268 1 969 . 1 1 83 83 GLU HB3 H 1 2.043 0.030 . 1 . . . . 83 GLU HB3 . 10268 1 970 . 1 1 83 83 GLU HG2 H 1 2.324 0.030 . 2 . . . . 83 GLU HG2 . 10268 1 971 . 1 1 83 83 GLU HG3 H 1 2.210 0.030 . 2 . . . . 83 GLU HG3 . 10268 1 972 . 1 1 83 83 GLU C C 13 177.740 0.300 . 1 . . . . 83 GLU C . 10268 1 973 . 1 1 83 83 GLU CA C 13 58.425 0.300 . 1 . . . . 83 GLU CA . 10268 1 974 . 1 1 83 83 GLU CB C 13 29.701 0.300 . 1 . . . . 83 GLU CB . 10268 1 975 . 1 1 83 83 GLU CG C 13 36.498 0.300 . 1 . . . . 83 GLU CG . 10268 1 976 . 1 1 83 83 GLU N N 15 119.549 0.300 . 1 . . . . 83 GLU N . 10268 1 977 . 1 1 84 84 GLU H H 1 8.033 0.030 . 1 . . . . 84 GLU H . 10268 1 978 . 1 1 84 84 GLU HA H 1 4.206 0.030 . 1 . . . . 84 GLU HA . 10268 1 979 . 1 1 84 84 GLU HB2 H 1 2.072 0.030 . 2 . . . . 84 GLU HB2 . 10268 1 980 . 1 1 84 84 GLU HB3 H 1 1.946 0.030 . 2 . . . . 84 GLU HB3 . 10268 1 981 . 1 1 84 84 GLU HG2 H 1 2.247 0.030 . 2 . . . . 84 GLU HG2 . 10268 1 982 . 1 1 84 84 GLU HG3 H 1 2.180 0.030 . 2 . . . . 84 GLU HG3 . 10268 1 983 . 1 1 84 84 GLU C C 13 176.837 0.300 . 1 . . . . 84 GLU C . 10268 1 984 . 1 1 84 84 GLU CA C 13 58.056 0.300 . 1 . . . . 84 GLU CA . 10268 1 985 . 1 1 84 84 GLU CB C 13 30.432 0.300 . 1 . . . . 84 GLU CB . 10268 1 986 . 1 1 84 84 GLU CG C 13 36.531 0.300 . 1 . . . . 84 GLU CG . 10268 1 987 . 1 1 84 84 GLU N N 15 118.333 0.300 . 1 . . . . 84 GLU N . 10268 1 988 . 1 1 85 85 THR H H 1 7.651 0.030 . 1 . . . . 85 THR H . 10268 1 989 . 1 1 85 85 THR HA H 1 4.307 0.030 . 1 . . . . 85 THR HA . 10268 1 990 . 1 1 85 85 THR HB H 1 3.980 0.030 . 1 . . . . 85 THR HB . 10268 1 991 . 1 1 85 85 THR HG21 H 1 0.544 0.030 . 1 . . . . 85 THR HG2 . 10268 1 992 . 1 1 85 85 THR HG22 H 1 0.544 0.030 . 1 . . . . 85 THR HG2 . 10268 1 993 . 1 1 85 85 THR HG23 H 1 0.544 0.030 . 1 . . . . 85 THR HG2 . 10268 1 994 . 1 1 85 85 THR C C 13 171.568 0.300 . 1 . . . . 85 THR C . 10268 1 995 . 1 1 85 85 THR CA C 13 61.387 0.300 . 1 . . . . 85 THR CA . 10268 1 996 . 1 1 85 85 THR CB C 13 69.963 0.300 . 1 . . . . 85 THR CB . 10268 1 997 . 1 1 85 85 THR CG2 C 13 19.713 0.300 . 1 . . . . 85 THR CG2 . 10268 1 998 . 1 1 85 85 THR N N 15 112.444 0.300 . 1 . . . . 85 THR N . 10268 1 999 . 1 1 86 86 ALA H H 1 8.639 0.030 . 1 . . . . 86 ALA H . 10268 1 1000 . 1 1 86 86 ALA HA H 1 4.603 0.030 . 1 . . . . 86 ALA HA . 10268 1 1001 . 1 1 86 86 ALA HB1 H 1 1.560 0.030 . 1 . . . . 86 ALA HB . 10268 1 1002 . 1 1 86 86 ALA HB2 H 1 1.560 0.030 . 1 . . . . 86 ALA HB . 10268 1 1003 . 1 1 86 86 ALA HB3 H 1 1.560 0.030 . 1 . . . . 86 ALA HB . 10268 1 1004 . 1 1 86 86 ALA C C 13 175.560 0.300 . 1 . . . . 86 ALA C . 10268 1 1005 . 1 1 86 86 ALA CA C 13 52.156 0.300 . 1 . . . . 86 ALA CA . 10268 1 1006 . 1 1 86 86 ALA CB C 13 20.378 0.300 . 1 . . . . 86 ALA CB . 10268 1 1007 . 1 1 86 86 ALA N N 15 127.705 0.300 . 1 . . . . 86 ALA N . 10268 1 1008 . 1 1 87 87 ILE H H 1 7.663 0.030 . 1 . . . . 87 ILE H . 10268 1 1009 . 1 1 87 87 ILE HA H 1 4.828 0.030 . 1 . . . . 87 ILE HA . 10268 1 1010 . 1 1 87 87 ILE HB H 1 1.548 0.030 . 1 . . . . 87 ILE HB . 10268 1 1011 . 1 1 87 87 ILE HD11 H 1 0.804 0.030 . 1 . . . . 87 ILE HD1 . 10268 1 1012 . 1 1 87 87 ILE HD12 H 1 0.804 0.030 . 1 . . . . 87 ILE HD1 . 10268 1 1013 . 1 1 87 87 ILE HD13 H 1 0.804 0.030 . 1 . . . . 87 ILE HD1 . 10268 1 1014 . 1 1 87 87 ILE HG12 H 1 1.412 0.030 . 2 . . . . 87 ILE HG12 . 10268 1 1015 . 1 1 87 87 ILE HG13 H 1 1.009 0.030 . 2 . . . . 87 ILE HG13 . 10268 1 1016 . 1 1 87 87 ILE HG21 H 1 0.674 0.030 . 1 . . . . 87 ILE HG2 . 10268 1 1017 . 1 1 87 87 ILE HG22 H 1 0.674 0.030 . 1 . . . . 87 ILE HG2 . 10268 1 1018 . 1 1 87 87 ILE HG23 H 1 0.674 0.030 . 1 . . . . 87 ILE HG2 . 10268 1 1019 . 1 1 87 87 ILE C C 13 174.537 0.300 . 1 . . . . 87 ILE C . 10268 1 1020 . 1 1 87 87 ILE CA C 13 60.329 0.300 . 1 . . . . 87 ILE CA . 10268 1 1021 . 1 1 87 87 ILE CB C 13 41.090 0.300 . 1 . . . . 87 ILE CB . 10268 1 1022 . 1 1 87 87 ILE CD1 C 13 13.721 0.300 . 1 . . . . 87 ILE CD1 . 10268 1 1023 . 1 1 87 87 ILE CG1 C 13 27.484 0.300 . 1 . . . . 87 ILE CG1 . 10268 1 1024 . 1 1 87 87 ILE CG2 C 13 17.157 0.300 . 1 . . . . 87 ILE CG2 . 10268 1 1025 . 1 1 87 87 ILE N N 15 118.712 0.300 . 1 . . . . 87 ILE N . 10268 1 1026 . 1 1 88 88 HIS H H 1 9.098 0.030 . 1 . . . . 88 HIS H . 10268 1 1027 . 1 1 88 88 HIS HA H 1 4.576 0.030 . 1 . . . . 88 HIS HA . 10268 1 1028 . 1 1 88 88 HIS HB2 H 1 2.837 0.030 . 2 . . . . 88 HIS HB2 . 10268 1 1029 . 1 1 88 88 HIS HB3 H 1 2.757 0.030 . 2 . . . . 88 HIS HB3 . 10268 1 1030 . 1 1 88 88 HIS HD2 H 1 6.702 0.030 . 1 . . . . 88 HIS HD2 . 10268 1 1031 . 1 1 88 88 HIS HE1 H 1 7.455 0.030 . 1 . . . . 88 HIS HE1 . 10268 1 1032 . 1 1 88 88 HIS C C 13 174.354 0.300 . 1 . . . . 88 HIS C . 10268 1 1033 . 1 1 88 88 HIS CA C 13 54.740 0.300 . 1 . . . . 88 HIS CA . 10268 1 1034 . 1 1 88 88 HIS CB C 13 33.955 0.300 . 1 . . . . 88 HIS CB . 10268 1 1035 . 1 1 88 88 HIS CD2 C 13 116.809 0.300 . 1 . . . . 88 HIS CD2 . 10268 1 1036 . 1 1 88 88 HIS CE1 C 13 137.877 0.300 . 1 . . . . 88 HIS CE1 . 10268 1 1037 . 1 1 88 88 HIS N N 15 126.285 0.300 . 1 . . . . 88 HIS N . 10268 1 1038 . 1 1 89 89 LYS H H 1 8.957 0.030 . 1 . . . . 89 LYS H . 10268 1 1039 . 1 1 89 89 LYS HA H 1 4.873 0.030 . 1 . . . . 89 LYS HA . 10268 1 1040 . 1 1 89 89 LYS HB2 H 1 1.694 0.030 . 1 . . . . 89 LYS HB2 . 10268 1 1041 . 1 1 89 89 LYS HB3 H 1 1.694 0.030 . 1 . . . . 89 LYS HB3 . 10268 1 1042 . 1 1 89 89 LYS HD2 H 1 1.611 0.030 . 2 . . . . 89 LYS HD2 . 10268 1 1043 . 1 1 89 89 LYS HD3 H 1 1.560 0.030 . 2 . . . . 89 LYS HD3 . 10268 1 1044 . 1 1 89 89 LYS HE2 H 1 2.827 0.030 . 1 . . . . 89 LYS HE2 . 10268 1 1045 . 1 1 89 89 LYS HE3 H 1 2.827 0.030 . 1 . . . . 89 LYS HE3 . 10268 1 1046 . 1 1 89 89 LYS HG2 H 1 1.337 0.030 . 2 . . . . 89 LYS HG2 . 10268 1 1047 . 1 1 89 89 LYS HG3 H 1 1.237 0.030 . 2 . . . . 89 LYS HG3 . 10268 1 1048 . 1 1 89 89 LYS C C 13 175.906 0.300 . 1 . . . . 89 LYS C . 10268 1 1049 . 1 1 89 89 LYS CA C 13 55.269 0.300 . 1 . . . . 89 LYS CA . 10268 1 1050 . 1 1 89 89 LYS CB C 13 32.945 0.300 . 1 . . . . 89 LYS CB . 10268 1 1051 . 1 1 89 89 LYS CD C 13 29.066 0.300 . 1 . . . . 89 LYS CD . 10268 1 1052 . 1 1 89 89 LYS CE C 13 42.053 0.300 . 1 . . . . 89 LYS CE . 10268 1 1053 . 1 1 89 89 LYS CG C 13 24.828 0.300 . 1 . . . . 89 LYS CG . 10268 1 1054 . 1 1 89 89 LYS N N 15 124.332 0.300 . 1 . . . . 89 LYS N . 10268 1 1055 . 1 1 90 90 VAL H H 1 9.174 0.030 . 1 . . . . 90 VAL H . 10268 1 1056 . 1 1 90 90 VAL HA H 1 4.227 0.030 . 1 . . . . 90 VAL HA . 10268 1 1057 . 1 1 90 90 VAL HB H 1 2.046 0.030 . 1 . . . . 90 VAL HB . 10268 1 1058 . 1 1 90 90 VAL HG11 H 1 0.785 0.030 . 1 . . . . 90 VAL HG1 . 10268 1 1059 . 1 1 90 90 VAL HG12 H 1 0.785 0.030 . 1 . . . . 90 VAL HG1 . 10268 1 1060 . 1 1 90 90 VAL HG13 H 1 0.785 0.030 . 1 . . . . 90 VAL HG1 . 10268 1 1061 . 1 1 90 90 VAL HG21 H 1 0.643 0.030 . 1 . . . . 90 VAL HG2 . 10268 1 1062 . 1 1 90 90 VAL HG22 H 1 0.643 0.030 . 1 . . . . 90 VAL HG2 . 10268 1 1063 . 1 1 90 90 VAL HG23 H 1 0.643 0.030 . 1 . . . . 90 VAL HG2 . 10268 1 1064 . 1 1 90 90 VAL C C 13 174.168 0.300 . 1 . . . . 90 VAL C . 10268 1 1065 . 1 1 90 90 VAL CA C 13 61.369 0.300 . 1 . . . . 90 VAL CA . 10268 1 1066 . 1 1 90 90 VAL CB C 13 34.082 0.300 . 1 . . . . 90 VAL CB . 10268 1 1067 . 1 1 90 90 VAL CG1 C 13 22.603 0.300 . 2 . . . . 90 VAL CG1 . 10268 1 1068 . 1 1 90 90 VAL CG2 C 13 21.207 0.300 . 2 . . . . 90 VAL CG2 . 10268 1 1069 . 1 1 90 90 VAL N N 15 124.319 0.300 . 1 . . . . 90 VAL N . 10268 1 1070 . 1 1 91 91 THR H H 1 6.697 0.030 . 1 . . . . 91 THR H . 10268 1 1071 . 1 1 91 91 THR HA H 1 5.163 0.030 . 1 . . . . 91 THR HA . 10268 1 1072 . 1 1 91 91 THR HB H 1 3.831 0.030 . 1 . . . . 91 THR HB . 10268 1 1073 . 1 1 91 91 THR HG21 H 1 1.157 0.030 . 1 . . . . 91 THR HG2 . 10268 1 1074 . 1 1 91 91 THR HG22 H 1 1.157 0.030 . 1 . . . . 91 THR HG2 . 10268 1 1075 . 1 1 91 91 THR HG23 H 1 1.157 0.030 . 1 . . . . 91 THR HG2 . 10268 1 1076 . 1 1 91 91 THR C C 13 173.812 0.300 . 1 . . . . 91 THR C . 10268 1 1077 . 1 1 91 91 THR CA C 13 61.935 0.300 . 1 . . . . 91 THR CA . 10268 1 1078 . 1 1 91 91 THR CB C 13 70.412 0.300 . 1 . . . . 91 THR CB . 10268 1 1079 . 1 1 91 91 THR CG2 C 13 21.607 0.300 . 1 . . . . 91 THR CG2 . 10268 1 1080 . 1 1 91 91 THR N N 15 122.637 0.300 . 1 . . . . 91 THR N . 10268 1 1081 . 1 1 92 92 VAL H H 1 9.292 0.030 . 1 . . . . 92 VAL H . 10268 1 1082 . 1 1 92 92 VAL HA H 1 4.736 0.030 . 1 . . . . 92 VAL HA . 10268 1 1083 . 1 1 92 92 VAL HB H 1 1.643 0.030 . 1 . . . . 92 VAL HB . 10268 1 1084 . 1 1 92 92 VAL HG11 H 1 1.013 0.030 . 1 . . . . 92 VAL HG1 . 10268 1 1085 . 1 1 92 92 VAL HG12 H 1 1.013 0.030 . 1 . . . . 92 VAL HG1 . 10268 1 1086 . 1 1 92 92 VAL HG13 H 1 1.013 0.030 . 1 . . . . 92 VAL HG1 . 10268 1 1087 . 1 1 92 92 VAL HG21 H 1 0.757 0.030 . 1 . . . . 92 VAL HG2 . 10268 1 1088 . 1 1 92 92 VAL HG22 H 1 0.757 0.030 . 1 . . . . 92 VAL HG2 . 10268 1 1089 . 1 1 92 92 VAL HG23 H 1 0.757 0.030 . 1 . . . . 92 VAL HG2 . 10268 1 1090 . 1 1 92 92 VAL C C 13 173.160 0.300 . 1 . . . . 92 VAL C . 10268 1 1091 . 1 1 92 92 VAL CA C 13 60.982 0.300 . 1 . . . . 92 VAL CA . 10268 1 1092 . 1 1 92 92 VAL CB C 13 35.130 0.300 . 1 . . . . 92 VAL CB . 10268 1 1093 . 1 1 92 92 VAL CG1 C 13 22.297 0.300 . 2 . . . . 92 VAL CG1 . 10268 1 1094 . 1 1 92 92 VAL CG2 C 13 21.874 0.300 . 2 . . . . 92 VAL CG2 . 10268 1 1095 . 1 1 92 92 VAL N N 15 128.265 0.300 . 1 . . . . 92 VAL N . 10268 1 1096 . 1 1 93 93 LEU H H 1 9.495 0.030 . 1 . . . . 93 LEU H . 10268 1 1097 . 1 1 93 93 LEU HA H 1 5.628 0.030 . 1 . . . . 93 LEU HA . 10268 1 1098 . 1 1 93 93 LEU HB2 H 1 1.720 0.030 . 2 . . . . 93 LEU HB2 . 10268 1 1099 . 1 1 93 93 LEU HB3 H 1 1.283 0.030 . 2 . . . . 93 LEU HB3 . 10268 1 1100 . 1 1 93 93 LEU HD11 H 1 0.919 0.030 . 1 . . . . 93 LEU HD1 . 10268 1 1101 . 1 1 93 93 LEU HD12 H 1 0.919 0.030 . 1 . . . . 93 LEU HD1 . 10268 1 1102 . 1 1 93 93 LEU HD13 H 1 0.919 0.030 . 1 . . . . 93 LEU HD1 . 10268 1 1103 . 1 1 93 93 LEU HD21 H 1 0.861 0.030 . 1 . . . . 93 LEU HD2 . 10268 1 1104 . 1 1 93 93 LEU HD22 H 1 0.861 0.030 . 1 . . . . 93 LEU HD2 . 10268 1 1105 . 1 1 93 93 LEU HD23 H 1 0.861 0.030 . 1 . . . . 93 LEU HD2 . 10268 1 1106 . 1 1 93 93 LEU HG H 1 1.563 0.030 . 1 . . . . 93 LEU HG . 10268 1 1107 . 1 1 93 93 LEU C C 13 176.274 0.300 . 1 . . . . 93 LEU C . 10268 1 1108 . 1 1 93 93 LEU CA C 13 52.773 0.300 . 1 . . . . 93 LEU CA . 10268 1 1109 . 1 1 93 93 LEU CB C 13 43.454 0.300 . 1 . . . . 93 LEU CB . 10268 1 1110 . 1 1 93 93 LEU CD1 C 13 25.375 0.300 . 2 . . . . 93 LEU CD1 . 10268 1 1111 . 1 1 93 93 LEU CD2 C 13 24.086 0.300 . 2 . . . . 93 LEU CD2 . 10268 1 1112 . 1 1 93 93 LEU CG C 13 28.099 0.300 . 1 . . . . 93 LEU CG . 10268 1 1113 . 1 1 93 93 LEU N N 15 126.350 0.300 . 1 . . . . 93 LEU N . 10268 1 1114 . 1 1 94 94 ALA H H 1 8.688 0.030 . 1 . . . . 94 ALA H . 10268 1 1115 . 1 1 94 94 ALA HA H 1 4.986 0.030 . 1 . . . . 94 ALA HA . 10268 1 1116 . 1 1 94 94 ALA HB1 H 1 0.561 0.030 . 1 . . . . 94 ALA HB . 10268 1 1117 . 1 1 94 94 ALA HB2 H 1 0.561 0.030 . 1 . . . . 94 ALA HB . 10268 1 1118 . 1 1 94 94 ALA HB3 H 1 0.561 0.030 . 1 . . . . 94 ALA HB . 10268 1 1119 . 1 1 94 94 ALA C C 13 175.787 0.300 . 1 . . . . 94 ALA C . 10268 1 1120 . 1 1 94 94 ALA CA C 13 49.610 0.300 . 1 . . . . 94 ALA CA . 10268 1 1121 . 1 1 94 94 ALA CB C 13 21.463 0.300 . 1 . . . . 94 ALA CB . 10268 1 1122 . 1 1 94 94 ALA N N 15 123.429 0.300 . 1 . . . . 94 ALA N . 10268 1 1123 . 1 1 95 95 SER H H 1 8.401 0.030 . 1 . . . . 95 SER H . 10268 1 1124 . 1 1 95 95 SER HA H 1 4.828 0.030 . 1 . . . . 95 SER HA . 10268 1 1125 . 1 1 95 95 SER HB2 H 1 3.654 0.030 . 1 . . . . 95 SER HB2 . 10268 1 1126 . 1 1 95 95 SER HB3 H 1 3.654 0.030 . 1 . . . . 95 SER HB3 . 10268 1 1127 . 1 1 95 95 SER C C 13 174.327 0.300 . 1 . . . . 95 SER C . 10268 1 1128 . 1 1 95 95 SER CA C 13 56.239 0.300 . 1 . . . . 95 SER CA . 10268 1 1129 . 1 1 95 95 SER CB C 13 65.561 0.300 . 1 . . . . 95 SER CB . 10268 1 1130 . 1 1 95 95 SER N N 15 114.418 0.300 . 1 . . . . 95 SER N . 10268 1 1131 . 1 1 96 96 ASP H H 1 8.690 0.030 . 1 . . . . 96 ASP H . 10268 1 1132 . 1 1 96 96 ASP HA H 1 4.908 0.030 . 1 . . . . 96 ASP HA . 10268 1 1133 . 1 1 96 96 ASP HB2 H 1 2.966 0.030 . 2 . . . . 96 ASP HB2 . 10268 1 1134 . 1 1 96 96 ASP HB3 H 1 2.191 0.030 . 2 . . . . 96 ASP HB3 . 10268 1 1135 . 1 1 96 96 ASP C C 13 177.096 0.300 . 1 . . . . 96 ASP C . 10268 1 1136 . 1 1 96 96 ASP CA C 13 52.818 0.300 . 1 . . . . 96 ASP CA . 10268 1 1137 . 1 1 96 96 ASP CB C 13 41.253 0.300 . 1 . . . . 96 ASP CB . 10268 1 1138 . 1 1 96 96 ASP N N 15 125.624 0.300 . 1 . . . . 96 ASP N . 10268 1 1139 . 1 1 97 97 GLY H H 1 8.524 0.030 . 1 . . . . 97 GLY H . 10268 1 1140 . 1 1 97 97 GLY HA2 H 1 4.320 0.030 . 2 . . . . 97 GLY HA2 . 10268 1 1141 . 1 1 97 97 GLY HA3 H 1 3.620 0.030 . 2 . . . . 97 GLY HA3 . 10268 1 1142 . 1 1 97 97 GLY C C 13 174.620 0.300 . 1 . . . . 97 GLY C . 10268 1 1143 . 1 1 97 97 GLY CA C 13 45.422 0.300 . 1 . . . . 97 GLY CA . 10268 1 1144 . 1 1 97 97 GLY N N 15 109.283 0.300 . 1 . . . . 97 GLY N . 10268 1 1145 . 1 1 98 98 SER H H 1 8.575 0.030 . 1 . . . . 98 SER H . 10268 1 1146 . 1 1 98 98 SER HA H 1 4.607 0.030 . 1 . . . . 98 SER HA . 10268 1 1147 . 1 1 98 98 SER HB2 H 1 3.878 0.030 . 2 . . . . 98 SER HB2 . 10268 1 1148 . 1 1 98 98 SER HB3 H 1 3.797 0.030 . 2 . . . . 98 SER HB3 . 10268 1 1149 . 1 1 98 98 SER C C 13 174.478 0.300 . 1 . . . . 98 SER C . 10268 1 1150 . 1 1 98 98 SER CA C 13 59.095 0.300 . 1 . . . . 98 SER CA . 10268 1 1151 . 1 1 98 98 SER CB C 13 64.800 0.300 . 1 . . . . 98 SER CB . 10268 1 1152 . 1 1 98 98 SER N N 15 116.640 0.300 . 1 . . . . 98 SER N . 10268 1 1153 . 1 1 99 99 SER H H 1 8.945 0.030 . 1 . . . . 99 SER H . 10268 1 1154 . 1 1 99 99 SER HA H 1 4.530 0.030 . 1 . . . . 99 SER HA . 10268 1 1155 . 1 1 99 99 SER HB2 H 1 3.972 0.030 . 1 . . . . 99 SER HB2 . 10268 1 1156 . 1 1 99 99 SER HB3 H 1 3.972 0.030 . 1 . . . . 99 SER HB3 . 10268 1 1157 . 1 1 99 99 SER C C 13 174.491 0.300 . 1 . . . . 99 SER C . 10268 1 1158 . 1 1 99 99 SER CA C 13 58.460 0.300 . 1 . . . . 99 SER CA . 10268 1 1159 . 1 1 99 99 SER CB C 13 64.146 0.300 . 1 . . . . 99 SER CB . 10268 1 1160 . 1 1 99 99 SER N N 15 117.676 0.300 . 1 . . . . 99 SER N . 10268 1 1161 . 1 1 100 100 THR H H 1 8.411 0.030 . 1 . . . . 100 THR H . 10268 1 1162 . 1 1 100 100 THR HA H 1 4.490 0.030 . 1 . . . . 100 THR HA . 10268 1 1163 . 1 1 100 100 THR HB H 1 4.061 0.030 . 1 . . . . 100 THR HB . 10268 1 1164 . 1 1 100 100 THR HG21 H 1 1.270 0.030 . 1 . . . . 100 THR HG2 . 10268 1 1165 . 1 1 100 100 THR HG22 H 1 1.270 0.030 . 1 . . . . 100 THR HG2 . 10268 1 1166 . 1 1 100 100 THR HG23 H 1 1.270 0.030 . 1 . . . . 100 THR HG2 . 10268 1 1167 . 1 1 100 100 THR C C 13 172.766 0.300 . 1 . . . . 100 THR C . 10268 1 1168 . 1 1 100 100 THR CA C 13 60.629 0.300 . 1 . . . . 100 THR CA . 10268 1 1169 . 1 1 100 100 THR CB C 13 69.778 0.300 . 1 . . . . 100 THR CB . 10268 1 1170 . 1 1 100 100 THR CG2 C 13 21.411 0.300 . 1 . . . . 100 THR CG2 . 10268 1 1171 . 1 1 100 100 THR N N 15 118.401 0.300 . 1 . . . . 100 THR N . 10268 1 1172 . 1 1 101 101 PRO HA H 1 4.631 0.030 . 1 . . . . 101 PRO HA . 10268 1 1173 . 1 1 101 101 PRO HB2 H 1 2.113 0.030 . 2 . . . . 101 PRO HB2 . 10268 1 1174 . 1 1 101 101 PRO HB3 H 1 1.830 0.030 . 2 . . . . 101 PRO HB3 . 10268 1 1175 . 1 1 101 101 PRO HD2 H 1 3.860 0.030 . 2 . . . . 101 PRO HD2 . 10268 1 1176 . 1 1 101 101 PRO HD3 H 1 3.703 0.030 . 2 . . . . 101 PRO HD3 . 10268 1 1177 . 1 1 101 101 PRO HG2 H 1 1.990 0.030 . 1 . . . . 101 PRO HG2 . 10268 1 1178 . 1 1 101 101 PRO HG3 H 1 1.990 0.030 . 1 . . . . 101 PRO HG3 . 10268 1 1179 . 1 1 101 101 PRO C C 13 177.227 0.300 . 1 . . . . 101 PRO C . 10268 1 1180 . 1 1 101 101 PRO CA C 13 63.097 0.300 . 1 . . . . 101 PRO CA . 10268 1 1181 . 1 1 101 101 PRO CB C 13 32.917 0.300 . 1 . . . . 101 PRO CB . 10268 1 1182 . 1 1 101 101 PRO CD C 13 51.102 0.300 . 1 . . . . 101 PRO CD . 10268 1 1183 . 1 1 101 101 PRO CG C 13 27.263 0.300 . 1 . . . . 101 PRO CG . 10268 1 1184 . 1 1 102 102 ALA H H 1 8.497 0.030 . 1 . . . . 102 ALA H . 10268 1 1185 . 1 1 102 102 ALA HA H 1 4.619 0.030 . 1 . . . . 102 ALA HA . 10268 1 1186 . 1 1 102 102 ALA HB1 H 1 1.395 0.030 . 1 . . . . 102 ALA HB . 10268 1 1187 . 1 1 102 102 ALA HB2 H 1 1.395 0.030 . 1 . . . . 102 ALA HB . 10268 1 1188 . 1 1 102 102 ALA HB3 H 1 1.395 0.030 . 1 . . . . 102 ALA HB . 10268 1 1189 . 1 1 102 102 ALA C C 13 176.542 0.300 . 1 . . . . 102 ALA C . 10268 1 1190 . 1 1 102 102 ALA CA C 13 51.390 0.300 . 1 . . . . 102 ALA CA . 10268 1 1191 . 1 1 102 102 ALA CB C 13 20.815 0.300 . 1 . . . . 102 ALA CB . 10268 1 1192 . 1 1 102 102 ALA N N 15 124.487 0.300 . 1 . . . . 102 ALA N . 10268 1 1193 . 1 1 103 103 ARG H H 1 8.663 0.030 . 1 . . . . 103 ARG H . 10268 1 1194 . 1 1 103 103 ARG HA H 1 5.515 0.030 . 1 . . . . 103 ARG HA . 10268 1 1195 . 1 1 103 103 ARG HB2 H 1 1.722 0.030 . 2 . . . . 103 ARG HB2 . 10268 1 1196 . 1 1 103 103 ARG HB3 H 1 1.628 0.030 . 2 . . . . 103 ARG HB3 . 10268 1 1197 . 1 1 103 103 ARG HD2 H 1 3.168 0.030 . 2 . . . . 103 ARG HD2 . 10268 1 1198 . 1 1 103 103 ARG HD3 H 1 3.106 0.030 . 2 . . . . 103 ARG HD3 . 10268 1 1199 . 1 1 103 103 ARG HG2 H 1 1.520 0.030 . 2 . . . . 103 ARG HG2 . 10268 1 1200 . 1 1 103 103 ARG HG3 H 1 1.432 0.030 . 2 . . . . 103 ARG HG3 . 10268 1 1201 . 1 1 103 103 ARG C C 13 174.539 0.300 . 1 . . . . 103 ARG C . 10268 1 1202 . 1 1 103 103 ARG CA C 13 55.164 0.300 . 1 . . . . 103 ARG CA . 10268 1 1203 . 1 1 103 103 ARG CB C 13 34.393 0.300 . 1 . . . . 103 ARG CB . 10268 1 1204 . 1 1 103 103 ARG CD C 13 43.701 0.300 . 1 . . . . 103 ARG CD . 10268 1 1205 . 1 1 103 103 ARG CG C 13 27.218 0.300 . 1 . . . . 103 ARG CG . 10268 1 1206 . 1 1 103 103 ARG N N 15 119.596 0.300 . 1 . . . . 103 ARG N . 10268 1 1207 . 1 1 104 104 ALA H H 1 9.027 0.030 . 1 . . . . 104 ALA H . 10268 1 1208 . 1 1 104 104 ALA HA H 1 4.782 0.030 . 1 . . . . 104 ALA HA . 10268 1 1209 . 1 1 104 104 ALA HB1 H 1 0.275 0.030 . 1 . . . . 104 ALA HB . 10268 1 1210 . 1 1 104 104 ALA HB2 H 1 0.275 0.030 . 1 . . . . 104 ALA HB . 10268 1 1211 . 1 1 104 104 ALA HB3 H 1 0.275 0.030 . 1 . . . . 104 ALA HB . 10268 1 1212 . 1 1 104 104 ALA C C 13 176.276 0.300 . 1 . . . . 104 ALA C . 10268 1 1213 . 1 1 104 104 ALA CA C 13 50.297 0.300 . 1 . . . . 104 ALA CA . 10268 1 1214 . 1 1 104 104 ALA CB C 13 20.810 0.300 . 1 . . . . 104 ALA CB . 10268 1 1215 . 1 1 104 104 ALA N N 15 126.962 0.300 . 1 . . . . 104 ALA N . 10268 1 1216 . 1 1 105 105 THR H H 1 8.384 0.030 . 1 . . . . 105 THR H . 10268 1 1217 . 1 1 105 105 THR HA H 1 4.954 0.030 . 1 . . . . 105 THR HA . 10268 1 1218 . 1 1 105 105 THR HB H 1 3.959 0.030 . 1 . . . . 105 THR HB . 10268 1 1219 . 1 1 105 105 THR HG21 H 1 1.052 0.030 . 1 . . . . 105 THR HG2 . 10268 1 1220 . 1 1 105 105 THR HG22 H 1 1.052 0.030 . 1 . . . . 105 THR HG2 . 10268 1 1221 . 1 1 105 105 THR HG23 H 1 1.052 0.030 . 1 . . . . 105 THR HG2 . 10268 1 1222 . 1 1 105 105 THR C C 13 173.243 0.300 . 1 . . . . 105 THR C . 10268 1 1223 . 1 1 105 105 THR CA C 13 61.475 0.300 . 1 . . . . 105 THR CA . 10268 1 1224 . 1 1 105 105 THR CB C 13 70.569 0.300 . 1 . . . . 105 THR CB . 10268 1 1225 . 1 1 105 105 THR CG2 C 13 21.331 0.300 . 1 . . . . 105 THR CG2 . 10268 1 1226 . 1 1 105 105 THR N N 15 115.327 0.300 . 1 . . . . 105 THR N . 10268 1 1227 . 1 1 106 106 VAL H H 1 8.970 0.030 . 1 . . . . 106 VAL H . 10268 1 1228 . 1 1 106 106 VAL HA H 1 4.702 0.030 . 1 . . . . 106 VAL HA . 10268 1 1229 . 1 1 106 106 VAL HB H 1 1.766 0.030 . 1 . . . . 106 VAL HB . 10268 1 1230 . 1 1 106 106 VAL HG11 H 1 0.546 0.030 . 1 . . . . 106 VAL HG1 . 10268 1 1231 . 1 1 106 106 VAL HG12 H 1 0.546 0.030 . 1 . . . . 106 VAL HG1 . 10268 1 1232 . 1 1 106 106 VAL HG13 H 1 0.546 0.030 . 1 . . . . 106 VAL HG1 . 10268 1 1233 . 1 1 106 106 VAL HG21 H 1 0.597 0.030 . 1 . . . . 106 VAL HG2 . 10268 1 1234 . 1 1 106 106 VAL HG22 H 1 0.597 0.030 . 1 . . . . 106 VAL HG2 . 10268 1 1235 . 1 1 106 106 VAL HG23 H 1 0.597 0.030 . 1 . . . . 106 VAL HG2 . 10268 1 1236 . 1 1 106 106 VAL C C 13 174.743 0.300 . 1 . . . . 106 VAL C . 10268 1 1237 . 1 1 106 106 VAL CA C 13 59.712 0.300 . 1 . . . . 106 VAL CA . 10268 1 1238 . 1 1 106 106 VAL CB C 13 34.327 0.300 . 1 . . . . 106 VAL CB . 10268 1 1239 . 1 1 106 106 VAL CG1 C 13 20.872 0.300 . 2 . . . . 106 VAL CG1 . 10268 1 1240 . 1 1 106 106 VAL CG2 C 13 20.716 0.300 . 2 . . . . 106 VAL CG2 . 10268 1 1241 . 1 1 106 106 VAL N N 15 126.226 0.300 . 1 . . . . 106 VAL N . 10268 1 1242 . 1 1 107 107 THR H H 1 8.833 0.030 . 1 . . . . 107 THR H . 10268 1 1243 . 1 1 107 107 THR HA H 1 4.862 0.030 . 1 . . . . 107 THR HA . 10268 1 1244 . 1 1 107 107 THR HB H 1 3.894 0.030 . 1 . . . . 107 THR HB . 10268 1 1245 . 1 1 107 107 THR HG21 H 1 1.024 0.030 . 1 . . . . 107 THR HG2 . 10268 1 1246 . 1 1 107 107 THR HG22 H 1 1.024 0.030 . 1 . . . . 107 THR HG2 . 10268 1 1247 . 1 1 107 107 THR HG23 H 1 1.024 0.030 . 1 . . . . 107 THR HG2 . 10268 1 1248 . 1 1 107 107 THR C C 13 172.970 0.300 . 1 . . . . 107 THR C . 10268 1 1249 . 1 1 107 107 THR CA C 13 62.322 0.300 . 1 . . . . 107 THR CA . 10268 1 1250 . 1 1 107 107 THR CB C 13 69.463 0.300 . 1 . . . . 107 THR CB . 10268 1 1251 . 1 1 107 107 THR CG2 C 13 21.785 0.300 . 1 . . . . 107 THR CG2 . 10268 1 1252 . 1 1 107 107 THR N N 15 125.403 0.300 . 1 . . . . 107 THR N . 10268 1 1253 . 1 1 108 108 ILE H H 1 9.234 0.030 . 1 . . . . 108 ILE H . 10268 1 1254 . 1 1 108 108 ILE HA H 1 4.178 0.030 . 1 . . . . 108 ILE HA . 10268 1 1255 . 1 1 108 108 ILE HB H 1 1.474 0.030 . 1 . . . . 108 ILE HB . 10268 1 1256 . 1 1 108 108 ILE HD11 H 1 -0.257 0.030 . 1 . . . . 108 ILE HD1 . 10268 1 1257 . 1 1 108 108 ILE HD12 H 1 -0.257 0.030 . 1 . . . . 108 ILE HD1 . 10268 1 1258 . 1 1 108 108 ILE HD13 H 1 -0.257 0.030 . 1 . . . . 108 ILE HD1 . 10268 1 1259 . 1 1 108 108 ILE HG12 H 1 1.190 0.030 . 2 . . . . 108 ILE HG12 . 10268 1 1260 . 1 1 108 108 ILE HG13 H 1 0.161 0.030 . 2 . . . . 108 ILE HG13 . 10268 1 1261 . 1 1 108 108 ILE HG21 H 1 0.479 0.030 . 1 . . . . 108 ILE HG2 . 10268 1 1262 . 1 1 108 108 ILE HG22 H 1 0.479 0.030 . 1 . . . . 108 ILE HG2 . 10268 1 1263 . 1 1 108 108 ILE HG23 H 1 0.479 0.030 . 1 . . . . 108 ILE HG2 . 10268 1 1264 . 1 1 108 108 ILE C C 13 174.087 0.300 . 1 . . . . 108 ILE C . 10268 1 1265 . 1 1 108 108 ILE CA C 13 60.365 0.300 . 1 . . . . 108 ILE CA . 10268 1 1266 . 1 1 108 108 ILE CB C 13 39.745 0.300 . 1 . . . . 108 ILE CB . 10268 1 1267 . 1 1 108 108 ILE CD1 C 13 12.876 0.300 . 1 . . . . 108 ILE CD1 . 10268 1 1268 . 1 1 108 108 ILE CG1 C 13 26.923 0.300 . 1 . . . . 108 ILE CG1 . 10268 1 1269 . 1 1 108 108 ILE CG2 C 13 17.808 0.300 . 1 . . . . 108 ILE CG2 . 10268 1 1270 . 1 1 108 108 ILE N N 15 127.152 0.300 . 1 . . . . 108 ILE N . 10268 1 1271 . 1 1 109 109 ASN H H 1 8.723 0.030 . 1 . . . . 109 ASN H . 10268 1 1272 . 1 1 109 109 ASN HA H 1 5.147 0.030 . 1 . . . . 109 ASN HA . 10268 1 1273 . 1 1 109 109 ASN HB2 H 1 2.518 0.030 . 2 . . . . 109 ASN HB2 . 10268 1 1274 . 1 1 109 109 ASN HB3 H 1 2.406 0.030 . 2 . . . . 109 ASN HB3 . 10268 1 1275 . 1 1 109 109 ASN HD21 H 1 7.317 0.030 . 2 . . . . 109 ASN HD21 . 10268 1 1276 . 1 1 109 109 ASN HD22 H 1 6.131 0.030 . 2 . . . . 109 ASN HD22 . 10268 1 1277 . 1 1 109 109 ASN C C 13 173.592 0.300 . 1 . . . . 109 ASN C . 10268 1 1278 . 1 1 109 109 ASN CA C 13 52.501 0.300 . 1 . . . . 109 ASN CA . 10268 1 1279 . 1 1 109 109 ASN CB C 13 40.791 0.300 . 1 . . . . 109 ASN CB . 10268 1 1280 . 1 1 109 109 ASN N N 15 126.866 0.300 . 1 . . . . 109 ASN N . 10268 1 1281 . 1 1 109 109 ASN ND2 N 15 113.452 0.300 . 1 . . . . 109 ASN ND2 . 10268 1 1282 . 1 1 110 110 VAL H H 1 9.046 0.030 . 1 . . . . 110 VAL H . 10268 1 1283 . 1 1 110 110 VAL HA H 1 5.081 0.030 . 1 . . . . 110 VAL HA . 10268 1 1284 . 1 1 110 110 VAL HB H 1 2.234 0.030 . 1 . . . . 110 VAL HB . 10268 1 1285 . 1 1 110 110 VAL HG11 H 1 0.980 0.030 . 1 . . . . 110 VAL HG1 . 10268 1 1286 . 1 1 110 110 VAL HG12 H 1 0.980 0.030 . 1 . . . . 110 VAL HG1 . 10268 1 1287 . 1 1 110 110 VAL HG13 H 1 0.980 0.030 . 1 . . . . 110 VAL HG1 . 10268 1 1288 . 1 1 110 110 VAL HG21 H 1 1.144 0.030 . 1 . . . . 110 VAL HG2 . 10268 1 1289 . 1 1 110 110 VAL HG22 H 1 1.144 0.030 . 1 . . . . 110 VAL HG2 . 10268 1 1290 . 1 1 110 110 VAL HG23 H 1 1.144 0.030 . 1 . . . . 110 VAL HG2 . 10268 1 1291 . 1 1 110 110 VAL C C 13 176.921 0.300 . 1 . . . . 110 VAL C . 10268 1 1292 . 1 1 110 110 VAL CA C 13 61.634 0.300 . 1 . . . . 110 VAL CA . 10268 1 1293 . 1 1 110 110 VAL CB C 13 31.809 0.300 . 1 . . . . 110 VAL CB . 10268 1 1294 . 1 1 110 110 VAL CG1 C 13 22.116 0.300 . 2 . . . . 110 VAL CG1 . 10268 1 1295 . 1 1 110 110 VAL CG2 C 13 21.302 0.300 . 2 . . . . 110 VAL CG2 . 10268 1 1296 . 1 1 110 110 VAL N N 15 126.070 0.300 . 1 . . . . 110 VAL N . 10268 1 1297 . 1 1 111 111 THR H H 1 9.197 0.030 . 1 . . . . 111 THR H . 10268 1 1298 . 1 1 111 111 THR HA H 1 4.566 0.030 . 1 . . . . 111 THR HA . 10268 1 1299 . 1 1 111 111 THR HB H 1 4.419 0.030 . 1 . . . . 111 THR HB . 10268 1 1300 . 1 1 111 111 THR HG21 H 1 1.194 0.030 . 1 . . . . 111 THR HG2 . 10268 1 1301 . 1 1 111 111 THR HG22 H 1 1.194 0.030 . 1 . . . . 111 THR HG2 . 10268 1 1302 . 1 1 111 111 THR HG23 H 1 1.194 0.030 . 1 . . . . 111 THR HG2 . 10268 1 1303 . 1 1 111 111 THR C C 13 174.087 0.300 . 1 . . . . 111 THR C . 10268 1 1304 . 1 1 111 111 THR CA C 13 61.145 0.300 . 1 . . . . 111 THR CA . 10268 1 1305 . 1 1 111 111 THR CB C 13 70.706 0.300 . 1 . . . . 111 THR CB . 10268 1 1306 . 1 1 111 111 THR CG2 C 13 21.861 0.300 . 1 . . . . 111 THR CG2 . 10268 1 1307 . 1 1 111 111 THR N N 15 121.425 0.300 . 1 . . . . 111 THR N . 10268 1 1308 . 1 1 112 112 ASP H H 1 8.435 0.030 . 1 . . . . 112 ASP H . 10268 1 1309 . 1 1 112 112 ASP HA H 1 4.656 0.030 . 1 . . . . 112 ASP HA . 10268 1 1310 . 1 1 112 112 ASP HB2 H 1 2.724 0.030 . 2 . . . . 112 ASP HB2 . 10268 1 1311 . 1 1 112 112 ASP HB3 H 1 2.565 0.030 . 2 . . . . 112 ASP HB3 . 10268 1 1312 . 1 1 112 112 ASP C C 13 176.745 0.300 . 1 . . . . 112 ASP C . 10268 1 1313 . 1 1 112 112 ASP CA C 13 54.158 0.300 . 1 . . . . 112 ASP CA . 10268 1 1314 . 1 1 112 112 ASP CB C 13 41.575 0.300 . 1 . . . . 112 ASP CB . 10268 1 1315 . 1 1 112 112 ASP N N 15 119.566 0.300 . 1 . . . . 112 ASP N . 10268 1 1316 . 1 1 113 113 VAL H H 1 8.629 0.030 . 1 . . . . 113 VAL H . 10268 1 1317 . 1 1 113 113 VAL HA H 1 4.078 0.030 . 1 . . . . 113 VAL HA . 10268 1 1318 . 1 1 113 113 VAL HB H 1 2.146 0.030 . 1 . . . . 113 VAL HB . 10268 1 1319 . 1 1 113 113 VAL HG11 H 1 0.970 0.030 . 1 . . . . 113 VAL HG1 . 10268 1 1320 . 1 1 113 113 VAL HG12 H 1 0.970 0.030 . 1 . . . . 113 VAL HG1 . 10268 1 1321 . 1 1 113 113 VAL HG13 H 1 0.970 0.030 . 1 . . . . 113 VAL HG1 . 10268 1 1322 . 1 1 113 113 VAL HG21 H 1 0.938 0.030 . 1 . . . . 113 VAL HG2 . 10268 1 1323 . 1 1 113 113 VAL HG22 H 1 0.938 0.030 . 1 . . . . 113 VAL HG2 . 10268 1 1324 . 1 1 113 113 VAL HG23 H 1 0.938 0.030 . 1 . . . . 113 VAL HG2 . 10268 1 1325 . 1 1 113 113 VAL C C 13 175.247 0.300 . 1 . . . . 113 VAL C . 10268 1 1326 . 1 1 113 113 VAL CA C 13 62.533 0.300 . 1 . . . . 113 VAL CA . 10268 1 1327 . 1 1 113 113 VAL CB C 13 32.534 0.300 . 1 . . . . 113 VAL CB . 10268 1 1328 . 1 1 113 113 VAL CG1 C 13 21.816 0.300 . 2 . . . . 113 VAL CG1 . 10268 1 1329 . 1 1 113 113 VAL CG2 C 13 20.246 0.300 . 2 . . . . 113 VAL CG2 . 10268 1 1330 . 1 1 113 113 VAL N N 15 119.356 0.300 . 1 . . . . 113 VAL N . 10268 1 1331 . 1 1 114 114 ASN H H 1 8.093 0.030 . 1 . . . . 114 ASN H . 10268 1 1332 . 1 1 114 114 ASN HA H 1 4.490 0.030 . 1 . . . . 114 ASN HA . 10268 1 1333 . 1 1 114 114 ASN HB2 H 1 2.730 0.030 . 2 . . . . 114 ASN HB2 . 10268 1 1334 . 1 1 114 114 ASN HB3 H 1 2.679 0.030 . 2 . . . . 114 ASN HB3 . 10268 1 1335 . 1 1 114 114 ASN HD21 H 1 7.544 0.030 . 2 . . . . 114 ASN HD21 . 10268 1 1336 . 1 1 114 114 ASN HD22 H 1 6.839 0.030 . 2 . . . . 114 ASN HD22 . 10268 1 1337 . 1 1 114 114 ASN C C 13 179.589 0.300 . 1 . . . . 114 ASN C . 10268 1 1338 . 1 1 114 114 ASN CA C 13 54.775 0.300 . 1 . . . . 114 ASN CA . 10268 1 1339 . 1 1 114 114 ASN CB C 13 40.816 0.300 . 1 . . . . 114 ASN CB . 10268 1 1340 . 1 1 114 114 ASN N N 15 127.458 0.300 . 1 . . . . 114 ASN N . 10268 1 1341 . 1 1 114 114 ASN ND2 N 15 113.052 0.300 . 1 . . . . 114 ASN ND2 . 10268 1 stop_ save_