data_10321 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10321 _Entry.Title ; Solution structure of the 11th filamin domain from human Filamin-B ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-04-02 _Entry.Accession_date 2009-04-02 _Entry.Last_release_date 2010-04-07 _Entry.Original_release_date 2010-04-07 _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 T. Tomizawa . . . 10321 2 S. Koshiba . . . 10321 3 S. Watanabe . . . 10321 4 T. Harada . . . 10321 5 T. Kigawa . . . 10321 6 S. Yokoyama . . . 10321 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' 10321 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10321 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 507 10321 '15N chemical shifts' 109 10321 '1H chemical shifts' 766 10321 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 . . 2010-04-07 2009-04-02 original author . 10321 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DIB 'BMRB Entry Tracking System' 10321 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10321 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the 11th filamin domain from human Filamin-B' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 T. Tomizawa . . . 10321 1 2 S. Koshiba . . . 10321 1 3 S. Watanabe . . . 10321 1 4 T. Harada . . . 10321 1 5 T. Kigawa . . . 10321 1 6 S. Yokoyama . . . 10321 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10321 _Assembly.ID 1 _Assembly.Name Filamin-B _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 'Filamin domain' 1 $entity_1 . . yes native no no . . . 10321 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 2DIB . . . . . . 10321 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10321 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Filamin 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 ; GSSGSSGHFPARVKVEPAVD TSRIKVFGPGIEGKDVFREA TTDFTVDSRPLTQVGGDHIK AHIANPSGASTECFVTDNAD GTYQVEYTPFEKGLHVVEVT YDDVPIPNSPFKVAVTEGCQ PSSGPSSG ; _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 128 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID no PDB 2DIB . "Solution Structure Of The 11th Filamin Domain From Human Filamin-B" . . . . . 100.00 128 100.00 100.00 1.18e-85 . . . . 10321 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Filamin domain' . 10321 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 . 10321 1 2 . SER . 10321 1 3 . SER . 10321 1 4 . GLY . 10321 1 5 . SER . 10321 1 6 . SER . 10321 1 7 . GLY . 10321 1 8 . HIS . 10321 1 9 . PHE . 10321 1 10 . PRO . 10321 1 11 . ALA . 10321 1 12 . ARG . 10321 1 13 . VAL . 10321 1 14 . LYS . 10321 1 15 . VAL . 10321 1 16 . GLU . 10321 1 17 . PRO . 10321 1 18 . ALA . 10321 1 19 . VAL . 10321 1 20 . ASP . 10321 1 21 . THR . 10321 1 22 . SER . 10321 1 23 . ARG . 10321 1 24 . ILE . 10321 1 25 . LYS . 10321 1 26 . VAL . 10321 1 27 . PHE . 10321 1 28 . GLY . 10321 1 29 . PRO . 10321 1 30 . GLY . 10321 1 31 . ILE . 10321 1 32 . GLU . 10321 1 33 . GLY . 10321 1 34 . LYS . 10321 1 35 . ASP . 10321 1 36 . VAL . 10321 1 37 . PHE . 10321 1 38 . ARG . 10321 1 39 . GLU . 10321 1 40 . ALA . 10321 1 41 . THR . 10321 1 42 . THR . 10321 1 43 . ASP . 10321 1 44 . PHE . 10321 1 45 . THR . 10321 1 46 . VAL . 10321 1 47 . ASP . 10321 1 48 . SER . 10321 1 49 . ARG . 10321 1 50 . PRO . 10321 1 51 . LEU . 10321 1 52 . THR . 10321 1 53 . GLN . 10321 1 54 . VAL . 10321 1 55 . GLY . 10321 1 56 . GLY . 10321 1 57 . ASP . 10321 1 58 . HIS . 10321 1 59 . ILE . 10321 1 60 . LYS . 10321 1 61 . ALA . 10321 1 62 . HIS . 10321 1 63 . ILE . 10321 1 64 . ALA . 10321 1 65 . ASN . 10321 1 66 . PRO . 10321 1 67 . SER . 10321 1 68 . GLY . 10321 1 69 . ALA . 10321 1 70 . SER . 10321 1 71 . THR . 10321 1 72 . GLU . 10321 1 73 . CYS . 10321 1 74 . PHE . 10321 1 75 . VAL . 10321 1 76 . THR . 10321 1 77 . ASP . 10321 1 78 . ASN . 10321 1 79 . ALA . 10321 1 80 . ASP . 10321 1 81 . GLY . 10321 1 82 . THR . 10321 1 83 . TYR . 10321 1 84 . GLN . 10321 1 85 . VAL . 10321 1 86 . GLU . 10321 1 87 . TYR . 10321 1 88 . THR . 10321 1 89 . PRO . 10321 1 90 . PHE . 10321 1 91 . GLU . 10321 1 92 . LYS . 10321 1 93 . GLY . 10321 1 94 . LEU . 10321 1 95 . HIS . 10321 1 96 . VAL . 10321 1 97 . VAL . 10321 1 98 . GLU . 10321 1 99 . VAL . 10321 1 100 . THR . 10321 1 101 . TYR . 10321 1 102 . ASP . 10321 1 103 . ASP . 10321 1 104 . VAL . 10321 1 105 . PRO . 10321 1 106 . ILE . 10321 1 107 . PRO . 10321 1 108 . ASN . 10321 1 109 . SER . 10321 1 110 . PRO . 10321 1 111 . PHE . 10321 1 112 . LYS . 10321 1 113 . VAL . 10321 1 114 . ALA . 10321 1 115 . VAL . 10321 1 116 . THR . 10321 1 117 . GLU . 10321 1 118 . GLY . 10321 1 119 . CYS . 10321 1 120 . GLN . 10321 1 121 . PRO . 10321 1 122 . SER . 10321 1 123 . SER . 10321 1 124 . GLY . 10321 1 125 . PRO . 10321 1 126 . SER . 10321 1 127 . SER . 10321 1 128 . GLY . 10321 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 10321 1 . SER 2 2 10321 1 . SER 3 3 10321 1 . GLY 4 4 10321 1 . SER 5 5 10321 1 . SER 6 6 10321 1 . GLY 7 7 10321 1 . HIS 8 8 10321 1 . PHE 9 9 10321 1 . PRO 10 10 10321 1 . ALA 11 11 10321 1 . ARG 12 12 10321 1 . VAL 13 13 10321 1 . LYS 14 14 10321 1 . VAL 15 15 10321 1 . GLU 16 16 10321 1 . PRO 17 17 10321 1 . ALA 18 18 10321 1 . VAL 19 19 10321 1 . ASP 20 20 10321 1 . THR 21 21 10321 1 . SER 22 22 10321 1 . ARG 23 23 10321 1 . ILE 24 24 10321 1 . LYS 25 25 10321 1 . VAL 26 26 10321 1 . PHE 27 27 10321 1 . GLY 28 28 10321 1 . PRO 29 29 10321 1 . GLY 30 30 10321 1 . ILE 31 31 10321 1 . GLU 32 32 10321 1 . GLY 33 33 10321 1 . LYS 34 34 10321 1 . ASP 35 35 10321 1 . VAL 36 36 10321 1 . PHE 37 37 10321 1 . ARG 38 38 10321 1 . GLU 39 39 10321 1 . ALA 40 40 10321 1 . THR 41 41 10321 1 . THR 42 42 10321 1 . ASP 43 43 10321 1 . PHE 44 44 10321 1 . THR 45 45 10321 1 . VAL 46 46 10321 1 . ASP 47 47 10321 1 . SER 48 48 10321 1 . ARG 49 49 10321 1 . PRO 50 50 10321 1 . LEU 51 51 10321 1 . THR 52 52 10321 1 . GLN 53 53 10321 1 . VAL 54 54 10321 1 . GLY 55 55 10321 1 . GLY 56 56 10321 1 . ASP 57 57 10321 1 . HIS 58 58 10321 1 . ILE 59 59 10321 1 . LYS 60 60 10321 1 . ALA 61 61 10321 1 . HIS 62 62 10321 1 . ILE 63 63 10321 1 . ALA 64 64 10321 1 . ASN 65 65 10321 1 . PRO 66 66 10321 1 . SER 67 67 10321 1 . GLY 68 68 10321 1 . ALA 69 69 10321 1 . SER 70 70 10321 1 . THR 71 71 10321 1 . GLU 72 72 10321 1 . CYS 73 73 10321 1 . PHE 74 74 10321 1 . VAL 75 75 10321 1 . THR 76 76 10321 1 . ASP 77 77 10321 1 . ASN 78 78 10321 1 . ALA 79 79 10321 1 . ASP 80 80 10321 1 . GLY 81 81 10321 1 . THR 82 82 10321 1 . TYR 83 83 10321 1 . GLN 84 84 10321 1 . VAL 85 85 10321 1 . GLU 86 86 10321 1 . TYR 87 87 10321 1 . THR 88 88 10321 1 . PRO 89 89 10321 1 . PHE 90 90 10321 1 . GLU 91 91 10321 1 . LYS 92 92 10321 1 . GLY 93 93 10321 1 . LEU 94 94 10321 1 . HIS 95 95 10321 1 . VAL 96 96 10321 1 . VAL 97 97 10321 1 . GLU 98 98 10321 1 . VAL 99 99 10321 1 . THR 100 100 10321 1 . TYR 101 101 10321 1 . ASP 102 102 10321 1 . ASP 103 103 10321 1 . VAL 104 104 10321 1 . PRO 105 105 10321 1 . ILE 106 106 10321 1 . PRO 107 107 10321 1 . ASN 108 108 10321 1 . SER 109 109 10321 1 . PRO 110 110 10321 1 . PHE 111 111 10321 1 . LYS 112 112 10321 1 . VAL 113 113 10321 1 . ALA 114 114 10321 1 . VAL 115 115 10321 1 . THR 116 116 10321 1 . GLU 117 117 10321 1 . GLY 118 118 10321 1 . CYS 119 119 10321 1 . GLN 120 120 10321 1 . PRO 121 121 10321 1 . SER 122 122 10321 1 . SER 123 123 10321 1 . GLY 124 124 10321 1 . PRO 125 125 10321 1 . SER 126 126 10321 1 . SER 127 127 10321 1 . GLY 128 128 10321 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 10321 _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 . . . . . . . . . . . . . . . . . . . . . 10321 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 10321 _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 . . P051205-12 . . . . . . 10321 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10321 _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 'Filamin domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.22 . . mM . . . . 10321 1 2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10321 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10321 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10321 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10321 1 6 H2O . . . . . . solvent 90 . . % . . . . 10321 1 7 D2O . . . . . . solvent 10 . . % . . . . 10321 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 10321 _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 10321 1 pH 7.0 0.05 pH 10321 1 pressure 1 0.001 atm 10321 1 temperature 298 0.1 K 10321 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10321 _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 . . 10321 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10321 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10321 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10321 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10321 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10321 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10321 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10321 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10321 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9742 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10321 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10321 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10321 _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.' . . 10321 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10321 5 'structure solution' 10321 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 10321 _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 10321 _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 . . . 10321 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 10321 _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 . . . . . . . . . . . . . . . . 10321 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10321 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 10321 _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 . . . . . . . . . 10321 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10321 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10321 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 10321 _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 10321 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10321 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 3.796 0.030 . 1 . . . . 1 GLY HA2 . 10321 1 2 . 1 1 1 1 GLY HA3 H 1 3.796 0.030 . 1 . . . . 1 GLY HA3 . 10321 1 3 . 1 1 1 1 GLY CA C 13 43.710 0.300 . 1 . . . . 1 GLY CA . 10321 1 4 . 1 1 8 8 HIS HA H 1 4.504 0.030 . 1 . . . . 8 HIS HA . 10321 1 5 . 1 1 8 8 HIS HB2 H 1 2.888 0.030 . 2 . . . . 8 HIS HB2 . 10321 1 6 . 1 1 8 8 HIS HB3 H 1 2.830 0.030 . 2 . . . . 8 HIS HB3 . 10321 1 7 . 1 1 8 8 HIS HD2 H 1 6.794 0.030 . 1 . . . . 8 HIS HD2 . 10321 1 8 . 1 1 8 8 HIS HE1 H 1 7.753 0.030 . 1 . . . . 8 HIS HE1 . 10321 1 9 . 1 1 8 8 HIS C C 13 174.599 0.300 . 1 . . . . 8 HIS C . 10321 1 10 . 1 1 8 8 HIS CA C 13 55.960 0.300 . 1 . . . . 8 HIS CA . 10321 1 11 . 1 1 8 8 HIS CB C 13 30.967 0.300 . 1 . . . . 8 HIS CB . 10321 1 12 . 1 1 8 8 HIS CD2 C 13 119.679 0.300 . 1 . . . . 8 HIS CD2 . 10321 1 13 . 1 1 8 8 HIS CE1 C 13 138.299 0.300 . 1 . . . . 8 HIS CE1 . 10321 1 14 . 1 1 9 9 PHE H H 1 8.176 0.030 . 1 . . . . 9 PHE H . 10321 1 15 . 1 1 9 9 PHE HA H 1 4.803 0.030 . 1 . . . . 9 PHE HA . 10321 1 16 . 1 1 9 9 PHE HB2 H 1 2.819 0.030 . 2 . . . . 9 PHE HB2 . 10321 1 17 . 1 1 9 9 PHE HB3 H 1 3.071 0.030 . 2 . . . . 9 PHE HB3 . 10321 1 18 . 1 1 9 9 PHE HD1 H 1 7.209 0.030 . 1 . . . . 9 PHE HD1 . 10321 1 19 . 1 1 9 9 PHE HD2 H 1 7.209 0.030 . 1 . . . . 9 PHE HD2 . 10321 1 20 . 1 1 9 9 PHE C C 13 173.534 0.300 . 1 . . . . 9 PHE C . 10321 1 21 . 1 1 9 9 PHE CA C 13 55.473 0.300 . 1 . . . . 9 PHE CA . 10321 1 22 . 1 1 9 9 PHE CB C 13 39.038 0.300 . 1 . . . . 9 PHE CB . 10321 1 23 . 1 1 9 9 PHE CD1 C 13 132.082 0.300 . 1 . . . . 9 PHE CD1 . 10321 1 24 . 1 1 9 9 PHE CD2 C 13 132.082 0.300 . 1 . . . . 9 PHE CD2 . 10321 1 25 . 1 1 9 9 PHE N N 15 122.796 0.300 . 1 . . . . 9 PHE N . 10321 1 26 . 1 1 10 10 PRO HA H 1 4.325 0.030 . 1 . . . . 10 PRO HA . 10321 1 27 . 1 1 10 10 PRO HB2 H 1 2.215 0.030 . 2 . . . . 10 PRO HB2 . 10321 1 28 . 1 1 10 10 PRO HB3 H 1 1.856 0.030 . 2 . . . . 10 PRO HB3 . 10321 1 29 . 1 1 10 10 PRO HD2 H 1 3.570 0.030 . 2 . . . . 10 PRO HD2 . 10321 1 30 . 1 1 10 10 PRO HD3 H 1 3.486 0.030 . 2 . . . . 10 PRO HD3 . 10321 1 31 . 1 1 10 10 PRO HG2 H 1 1.918 0.030 . 1 . . . . 10 PRO HG2 . 10321 1 32 . 1 1 10 10 PRO HG3 H 1 1.918 0.030 . 1 . . . . 10 PRO HG3 . 10321 1 33 . 1 1 10 10 PRO C C 13 176.423 0.300 . 1 . . . . 10 PRO C . 10321 1 34 . 1 1 10 10 PRO CA C 13 63.054 0.300 . 1 . . . . 10 PRO CA . 10321 1 35 . 1 1 10 10 PRO CB C 13 31.988 0.300 . 1 . . . . 10 PRO CB . 10321 1 36 . 1 1 10 10 PRO CD C 13 50.529 0.300 . 1 . . . . 10 PRO CD . 10321 1 37 . 1 1 10 10 PRO CG C 13 27.282 0.300 . 1 . . . . 10 PRO CG . 10321 1 38 . 1 1 11 11 ALA H H 1 8.322 0.030 . 1 . . . . 11 ALA H . 10321 1 39 . 1 1 11 11 ALA HA H 1 4.238 0.030 . 1 . . . . 11 ALA HA . 10321 1 40 . 1 1 11 11 ALA HB1 H 1 1.335 0.030 . 1 . . . . 11 ALA HB . 10321 1 41 . 1 1 11 11 ALA HB2 H 1 1.335 0.030 . 1 . . . . 11 ALA HB . 10321 1 42 . 1 1 11 11 ALA HB3 H 1 1.335 0.030 . 1 . . . . 11 ALA HB . 10321 1 43 . 1 1 11 11 ALA C C 13 177.740 0.300 . 1 . . . . 11 ALA C . 10321 1 44 . 1 1 11 11 ALA CA C 13 52.387 0.300 . 1 . . . . 11 ALA CA . 10321 1 45 . 1 1 11 11 ALA CB C 13 19.114 0.300 . 1 . . . . 11 ALA CB . 10321 1 46 . 1 1 11 11 ALA N N 15 124.169 0.300 . 1 . . . . 11 ALA N . 10321 1 47 . 1 1 12 12 ARG H H 1 8.277 0.030 . 1 . . . . 12 ARG H . 10321 1 48 . 1 1 12 12 ARG HA H 1 4.285 0.030 . 1 . . . . 12 ARG HA . 10321 1 49 . 1 1 12 12 ARG HB2 H 1 1.777 0.030 . 2 . . . . 12 ARG HB2 . 10321 1 50 . 1 1 12 12 ARG HB3 H 1 1.709 0.030 . 2 . . . . 12 ARG HB3 . 10321 1 51 . 1 1 12 12 ARG HD2 H 1 3.137 0.030 . 1 . . . . 12 ARG HD2 . 10321 1 52 . 1 1 12 12 ARG HD3 H 1 3.137 0.030 . 1 . . . . 12 ARG HD3 . 10321 1 53 . 1 1 12 12 ARG HG2 H 1 1.605 0.030 . 2 . . . . 12 ARG HG2 . 10321 1 54 . 1 1 12 12 ARG HG3 H 1 1.554 0.030 . 2 . . . . 12 ARG HG3 . 10321 1 55 . 1 1 12 12 ARG C C 13 176.188 0.300 . 1 . . . . 12 ARG C . 10321 1 56 . 1 1 12 12 ARG CA C 13 55.984 0.300 . 1 . . . . 12 ARG CA . 10321 1 57 . 1 1 12 12 ARG CB C 13 30.849 0.300 . 1 . . . . 12 ARG CB . 10321 1 58 . 1 1 12 12 ARG CD C 13 43.340 0.300 . 1 . . . . 12 ARG CD . 10321 1 59 . 1 1 12 12 ARG CG C 13 27.097 0.300 . 1 . . . . 12 ARG CG . 10321 1 60 . 1 1 12 12 ARG N N 15 120.744 0.300 . 1 . . . . 12 ARG N . 10321 1 61 . 1 1 13 13 VAL H H 1 8.145 0.030 . 1 . . . . 13 VAL H . 10321 1 62 . 1 1 13 13 VAL HA H 1 4.036 0.030 . 1 . . . . 13 VAL HA . 10321 1 63 . 1 1 13 13 VAL HB H 1 1.976 0.030 . 1 . . . . 13 VAL HB . 10321 1 64 . 1 1 13 13 VAL HG11 H 1 0.876 0.030 . 1 . . . . 13 VAL HG1 . 10321 1 65 . 1 1 13 13 VAL HG12 H 1 0.876 0.030 . 1 . . . . 13 VAL HG1 . 10321 1 66 . 1 1 13 13 VAL HG13 H 1 0.876 0.030 . 1 . . . . 13 VAL HG1 . 10321 1 67 . 1 1 13 13 VAL HG21 H 1 0.876 0.030 . 1 . . . . 13 VAL HG2 . 10321 1 68 . 1 1 13 13 VAL HG22 H 1 0.876 0.030 . 1 . . . . 13 VAL HG2 . 10321 1 69 . 1 1 13 13 VAL HG23 H 1 0.876 0.030 . 1 . . . . 13 VAL HG2 . 10321 1 70 . 1 1 13 13 VAL C C 13 175.784 0.300 . 1 . . . . 13 VAL C . 10321 1 71 . 1 1 13 13 VAL CA C 13 62.178 0.300 . 1 . . . . 13 VAL CA . 10321 1 72 . 1 1 13 13 VAL CB C 13 32.883 0.300 . 1 . . . . 13 VAL CB . 10321 1 73 . 1 1 13 13 VAL CG1 C 13 20.548 0.300 . 1 . . . . 13 VAL CG1 . 10321 1 74 . 1 1 13 13 VAL CG2 C 13 20.548 0.300 . 1 . . . . 13 VAL CG2 . 10321 1 75 . 1 1 13 13 VAL N N 15 121.984 0.300 . 1 . . . . 13 VAL N . 10321 1 76 . 1 1 14 14 LYS H H 1 8.379 0.030 . 1 . . . . 14 LYS H . 10321 1 77 . 1 1 14 14 LYS HA H 1 4.285 0.030 . 1 . . . . 14 LYS HA . 10321 1 78 . 1 1 14 14 LYS HB2 H 1 1.684 0.030 . 2 . . . . 14 LYS HB2 . 10321 1 79 . 1 1 14 14 LYS HB3 H 1 1.749 0.030 . 2 . . . . 14 LYS HB3 . 10321 1 80 . 1 1 14 14 LYS HD2 H 1 1.702 0.030 . 2 . . . . 14 LYS HD2 . 10321 1 81 . 1 1 14 14 LYS HE2 H 1 2.952 0.030 . 2 . . . . 14 LYS HE2 . 10321 1 82 . 1 1 14 14 LYS HG2 H 1 1.351 0.030 . 2 . . . . 14 LYS HG2 . 10321 1 83 . 1 1 14 14 LYS C C 13 176.003 0.300 . 1 . . . . 14 LYS C . 10321 1 84 . 1 1 14 14 LYS CA C 13 56.265 0.300 . 1 . . . . 14 LYS CA . 10321 1 85 . 1 1 14 14 LYS CB C 13 33.175 0.300 . 1 . . . . 14 LYS CB . 10321 1 86 . 1 1 14 14 LYS CD C 13 29.092 0.300 . 1 . . . . 14 LYS CD . 10321 1 87 . 1 1 14 14 LYS CE C 13 42.057 0.300 . 1 . . . . 14 LYS CE . 10321 1 88 . 1 1 14 14 LYS CG C 13 24.770 0.300 . 1 . . . . 14 LYS CG . 10321 1 89 . 1 1 14 14 LYS N N 15 125.953 0.300 . 1 . . . . 14 LYS N . 10321 1 90 . 1 1 15 15 VAL H H 1 8.242 0.030 . 1 . . . . 15 VAL H . 10321 1 91 . 1 1 15 15 VAL HA H 1 4.064 0.030 . 1 . . . . 15 VAL HA . 10321 1 92 . 1 1 15 15 VAL HB H 1 1.970 0.030 . 1 . . . . 15 VAL HB . 10321 1 93 . 1 1 15 15 VAL HG11 H 1 0.884 0.030 . 1 . . . . 15 VAL HG1 . 10321 1 94 . 1 1 15 15 VAL HG12 H 1 0.884 0.030 . 1 . . . . 15 VAL HG1 . 10321 1 95 . 1 1 15 15 VAL HG13 H 1 0.884 0.030 . 1 . . . . 15 VAL HG1 . 10321 1 96 . 1 1 15 15 VAL HG21 H 1 0.884 0.030 . 1 . . . . 15 VAL HG2 . 10321 1 97 . 1 1 15 15 VAL HG22 H 1 0.884 0.030 . 1 . . . . 15 VAL HG2 . 10321 1 98 . 1 1 15 15 VAL HG23 H 1 0.884 0.030 . 1 . . . . 15 VAL HG2 . 10321 1 99 . 1 1 15 15 VAL C C 13 175.872 0.300 . 1 . . . . 15 VAL C . 10321 1 100 . 1 1 15 15 VAL CA C 13 61.959 0.300 . 1 . . . . 15 VAL CA . 10321 1 101 . 1 1 15 15 VAL CB C 13 32.857 0.300 . 1 . . . . 15 VAL CB . 10321 1 102 . 1 1 15 15 VAL CG1 C 13 20.864 0.300 . 1 . . . . 15 VAL CG1 . 10321 1 103 . 1 1 15 15 VAL CG2 C 13 20.864 0.300 . 1 . . . . 15 VAL CG2 . 10321 1 104 . 1 1 15 15 VAL N N 15 123.265 0.300 . 1 . . . . 15 VAL N . 10321 1 105 . 1 1 16 16 GLU H H 1 8.509 0.030 . 1 . . . . 16 GLU H . 10321 1 106 . 1 1 16 16 GLU HA H 1 4.560 0.030 . 1 . . . . 16 GLU HA . 10321 1 107 . 1 1 16 16 GLU HB2 H 1 1.996 0.030 . 2 . . . . 16 GLU HB2 . 10321 1 108 . 1 1 16 16 GLU HB3 H 1 1.817 0.030 . 2 . . . . 16 GLU HB3 . 10321 1 109 . 1 1 16 16 GLU HG2 H 1 2.254 0.030 . 1 . . . . 16 GLU HG2 . 10321 1 110 . 1 1 16 16 GLU HG3 H 1 2.254 0.030 . 1 . . . . 16 GLU HG3 . 10321 1 111 . 1 1 16 16 GLU C C 13 174.335 0.300 . 1 . . . . 16 GLU C . 10321 1 112 . 1 1 16 16 GLU CA C 13 54.178 0.300 . 1 . . . . 16 GLU CA . 10321 1 113 . 1 1 16 16 GLU CB C 13 29.588 0.300 . 1 . . . . 16 GLU CB . 10321 1 114 . 1 1 16 16 GLU CG C 13 35.992 0.300 . 1 . . . . 16 GLU CG . 10321 1 115 . 1 1 16 16 GLU N N 15 126.853 0.300 . 1 . . . . 16 GLU N . 10321 1 116 . 1 1 17 17 PRO HA H 1 4.387 0.030 . 1 . . . . 17 PRO HA . 10321 1 117 . 1 1 17 17 PRO HB2 H 1 2.303 0.030 . 2 . . . . 17 PRO HB2 . 10321 1 118 . 1 1 17 17 PRO HB3 H 1 1.938 0.030 . 2 . . . . 17 PRO HB3 . 10321 1 119 . 1 1 17 17 PRO HD2 H 1 3.689 0.030 . 2 . . . . 17 PRO HD2 . 10321 1 120 . 1 1 17 17 PRO HD3 H 1 3.787 0.030 . 2 . . . . 17 PRO HD3 . 10321 1 121 . 1 1 17 17 PRO HG2 H 1 1.990 0.030 . 1 . . . . 17 PRO HG2 . 10321 1 122 . 1 1 17 17 PRO HG3 H 1 1.990 0.030 . 1 . . . . 17 PRO HG3 . 10321 1 123 . 1 1 17 17 PRO C C 13 176.787 0.300 . 1 . . . . 17 PRO C . 10321 1 124 . 1 1 17 17 PRO CA C 13 62.864 0.300 . 1 . . . . 17 PRO CA . 10321 1 125 . 1 1 17 17 PRO CB C 13 32.266 0.300 . 1 . . . . 17 PRO CB . 10321 1 126 . 1 1 17 17 PRO CD C 13 50.616 0.300 . 1 . . . . 17 PRO CD . 10321 1 127 . 1 1 17 17 PRO CG C 13 27.429 0.300 . 1 . . . . 17 PRO CG . 10321 1 128 . 1 1 18 18 ALA H H 1 8.542 0.030 . 1 . . . . 18 ALA H . 10321 1 129 . 1 1 18 18 ALA HA H 1 4.260 0.030 . 1 . . . . 18 ALA HA . 10321 1 130 . 1 1 18 18 ALA HB1 H 1 1.395 0.030 . 1 . . . . 18 ALA HB . 10321 1 131 . 1 1 18 18 ALA HB2 H 1 1.395 0.030 . 1 . . . . 18 ALA HB . 10321 1 132 . 1 1 18 18 ALA HB3 H 1 1.395 0.030 . 1 . . . . 18 ALA HB . 10321 1 133 . 1 1 18 18 ALA C C 13 177.523 0.300 . 1 . . . . 18 ALA C . 10321 1 134 . 1 1 18 18 ALA CA C 13 52.728 0.300 . 1 . . . . 18 ALA CA . 10321 1 135 . 1 1 18 18 ALA CB C 13 19.414 0.300 . 1 . . . . 18 ALA CB . 10321 1 136 . 1 1 18 18 ALA N N 15 124.395 0.300 . 1 . . . . 18 ALA N . 10321 1 137 . 1 1 19 19 VAL H H 1 7.747 0.030 . 1 . . . . 19 VAL H . 10321 1 138 . 1 1 19 19 VAL HA H 1 4.000 0.030 . 1 . . . . 19 VAL HA . 10321 1 139 . 1 1 19 19 VAL HB H 1 1.974 0.030 . 1 . . . . 19 VAL HB . 10321 1 140 . 1 1 19 19 VAL HG11 H 1 0.985 0.030 . 1 . . . . 19 VAL HG1 . 10321 1 141 . 1 1 19 19 VAL HG12 H 1 0.985 0.030 . 1 . . . . 19 VAL HG1 . 10321 1 142 . 1 1 19 19 VAL HG13 H 1 0.985 0.030 . 1 . . . . 19 VAL HG1 . 10321 1 143 . 1 1 19 19 VAL HG21 H 1 0.872 0.030 . 1 . . . . 19 VAL HG2 . 10321 1 144 . 1 1 19 19 VAL HG22 H 1 0.872 0.030 . 1 . . . . 19 VAL HG2 . 10321 1 145 . 1 1 19 19 VAL HG23 H 1 0.872 0.030 . 1 . . . . 19 VAL HG2 . 10321 1 146 . 1 1 19 19 VAL C C 13 174.211 0.300 . 1 . . . . 19 VAL C . 10321 1 147 . 1 1 19 19 VAL CA C 13 61.668 0.300 . 1 . . . . 19 VAL CA . 10321 1 148 . 1 1 19 19 VAL CB C 13 33.804 0.300 . 1 . . . . 19 VAL CB . 10321 1 149 . 1 1 19 19 VAL CG1 C 13 21.249 0.300 . 2 . . . . 19 VAL CG1 . 10321 1 150 . 1 1 19 19 VAL CG2 C 13 21.340 0.300 . 2 . . . . 19 VAL CG2 . 10321 1 151 . 1 1 19 19 VAL N N 15 117.735 0.300 . 1 . . . . 19 VAL N . 10321 1 152 . 1 1 20 20 ASP H H 1 8.304 0.030 . 1 . . . . 20 ASP H . 10321 1 153 . 1 1 20 20 ASP HA H 1 4.791 0.030 . 1 . . . . 20 ASP HA . 10321 1 154 . 1 1 20 20 ASP HB2 H 1 2.849 0.030 . 2 . . . . 20 ASP HB2 . 10321 1 155 . 1 1 20 20 ASP HB3 H 1 2.586 0.030 . 2 . . . . 20 ASP HB3 . 10321 1 156 . 1 1 20 20 ASP C C 13 176.901 0.300 . 1 . . . . 20 ASP C . 10321 1 157 . 1 1 20 20 ASP CA C 13 52.429 0.300 . 1 . . . . 20 ASP CA . 10321 1 158 . 1 1 20 20 ASP CB C 13 40.736 0.300 . 1 . . . . 20 ASP CB . 10321 1 159 . 1 1 20 20 ASP N N 15 124.435 0.300 . 1 . . . . 20 ASP N . 10321 1 160 . 1 1 21 21 THR H H 1 8.463 0.030 . 1 . . . . 21 THR H . 10321 1 161 . 1 1 21 21 THR HA H 1 3.924 0.030 . 1 . . . . 21 THR HA . 10321 1 162 . 1 1 21 21 THR HB H 1 4.586 0.030 . 1 . . . . 21 THR HB . 10321 1 163 . 1 1 21 21 THR HG21 H 1 1.085 0.030 . 1 . . . . 21 THR HG2 . 10321 1 164 . 1 1 21 21 THR HG22 H 1 1.085 0.030 . 1 . . . . 21 THR HG2 . 10321 1 165 . 1 1 21 21 THR HG23 H 1 1.085 0.030 . 1 . . . . 21 THR HG2 . 10321 1 166 . 1 1 21 21 THR C C 13 175.417 0.300 . 1 . . . . 21 THR C . 10321 1 167 . 1 1 21 21 THR CA C 13 61.074 0.300 . 1 . . . . 21 THR CA . 10321 1 168 . 1 1 21 21 THR CB C 13 69.454 0.300 . 1 . . . . 21 THR CB . 10321 1 169 . 1 1 21 21 THR CG2 C 13 22.721 0.300 . 1 . . . . 21 THR CG2 . 10321 1 170 . 1 1 21 21 THR N N 15 114.594 0.300 . 1 . . . . 21 THR N . 10321 1 171 . 1 1 22 22 SER H H 1 8.261 0.030 . 1 . . . . 22 SER H . 10321 1 172 . 1 1 22 22 SER HA H 1 3.997 0.030 . 1 . . . . 22 SER HA . 10321 1 173 . 1 1 22 22 SER HB2 H 1 3.979 0.030 . 2 . . . . 22 SER HB2 . 10321 1 174 . 1 1 22 22 SER HB3 H 1 3.812 0.030 . 2 . . . . 22 SER HB3 . 10321 1 175 . 1 1 22 22 SER C C 13 175.573 0.300 . 1 . . . . 22 SER C . 10321 1 176 . 1 1 22 22 SER CA C 13 62.513 0.300 . 1 . . . . 22 SER CA . 10321 1 177 . 1 1 22 22 SER CB C 13 63.336 0.300 . 1 . . . . 22 SER CB . 10321 1 178 . 1 1 22 22 SER N N 15 116.212 0.300 . 1 . . . . 22 SER N . 10321 1 179 . 1 1 23 23 ARG H H 1 8.568 0.030 . 1 . . . . 23 ARG H . 10321 1 180 . 1 1 23 23 ARG HA H 1 4.382 0.030 . 1 . . . . 23 ARG HA . 10321 1 181 . 1 1 23 23 ARG HB2 H 1 2.008 0.030 . 2 . . . . 23 ARG HB2 . 10321 1 182 . 1 1 23 23 ARG HB3 H 1 1.380 0.030 . 2 . . . . 23 ARG HB3 . 10321 1 183 . 1 1 23 23 ARG HD2 H 1 3.079 0.030 . 1 . . . . 23 ARG HD2 . 10321 1 184 . 1 1 23 23 ARG HD3 H 1 3.079 0.030 . 1 . . . . 23 ARG HD3 . 10321 1 185 . 1 1 23 23 ARG HG2 H 1 1.624 0.030 . 2 . . . . 23 ARG HG2 . 10321 1 186 . 1 1 23 23 ARG HG3 H 1 1.482 0.030 . 2 . . . . 23 ARG HG3 . 10321 1 187 . 1 1 23 23 ARG C C 13 176.229 0.300 . 1 . . . . 23 ARG C . 10321 1 188 . 1 1 23 23 ARG CA C 13 55.781 0.300 . 1 . . . . 23 ARG CA . 10321 1 189 . 1 1 23 23 ARG CB C 13 29.849 0.300 . 1 . . . . 23 ARG CB . 10321 1 190 . 1 1 23 23 ARG CD C 13 43.238 0.300 . 1 . . . . 23 ARG CD . 10321 1 191 . 1 1 23 23 ARG CG C 13 27.513 0.300 . 1 . . . . 23 ARG CG . 10321 1 192 . 1 1 23 23 ARG N N 15 119.452 0.300 . 1 . . . . 23 ARG N . 10321 1 193 . 1 1 24 24 ILE H H 1 7.765 0.030 . 1 . . . . 24 ILE H . 10321 1 194 . 1 1 24 24 ILE HA H 1 3.947 0.030 . 1 . . . . 24 ILE HA . 10321 1 195 . 1 1 24 24 ILE HB H 1 1.813 0.030 . 1 . . . . 24 ILE HB . 10321 1 196 . 1 1 24 24 ILE HD11 H 1 0.505 0.030 . 1 . . . . 24 ILE HD1 . 10321 1 197 . 1 1 24 24 ILE HD12 H 1 0.505 0.030 . 1 . . . . 24 ILE HD1 . 10321 1 198 . 1 1 24 24 ILE HD13 H 1 0.505 0.030 . 1 . . . . 24 ILE HD1 . 10321 1 199 . 1 1 24 24 ILE HG12 H 1 1.470 0.030 . 2 . . . . 24 ILE HG12 . 10321 1 200 . 1 1 24 24 ILE HG13 H 1 0.606 0.030 . 2 . . . . 24 ILE HG13 . 10321 1 201 . 1 1 24 24 ILE HG21 H 1 0.768 0.030 . 1 . . . . 24 ILE HG2 . 10321 1 202 . 1 1 24 24 ILE HG22 H 1 0.768 0.030 . 1 . . . . 24 ILE HG2 . 10321 1 203 . 1 1 24 24 ILE HG23 H 1 0.768 0.030 . 1 . . . . 24 ILE HG2 . 10321 1 204 . 1 1 24 24 ILE C C 13 175.411 0.300 . 1 . . . . 24 ILE C . 10321 1 205 . 1 1 24 24 ILE CA C 13 63.709 0.300 . 1 . . . . 24 ILE CA . 10321 1 206 . 1 1 24 24 ILE CB C 13 37.726 0.300 . 1 . . . . 24 ILE CB . 10321 1 207 . 1 1 24 24 ILE CD1 C 13 14.652 0.300 . 1 . . . . 24 ILE CD1 . 10321 1 208 . 1 1 24 24 ILE CG1 C 13 29.235 0.300 . 1 . . . . 24 ILE CG1 . 10321 1 209 . 1 1 24 24 ILE CG2 C 13 17.315 0.300 . 1 . . . . 24 ILE CG2 . 10321 1 210 . 1 1 24 24 ILE N N 15 121.079 0.300 . 1 . . . . 24 ILE N . 10321 1 211 . 1 1 25 25 LYS H H 1 7.888 0.030 . 1 . . . . 25 LYS H . 10321 1 212 . 1 1 25 25 LYS HA H 1 4.896 0.030 . 1 . . . . 25 LYS HA . 10321 1 213 . 1 1 25 25 LYS HB2 H 1 2.066 0.030 . 2 . . . . 25 LYS HB2 . 10321 1 214 . 1 1 25 25 LYS HB3 H 1 1.874 0.030 . 2 . . . . 25 LYS HB3 . 10321 1 215 . 1 1 25 25 LYS HD2 H 1 1.747 0.030 . 1 . . . . 25 LYS HD2 . 10321 1 216 . 1 1 25 25 LYS HD3 H 1 1.747 0.030 . 1 . . . . 25 LYS HD3 . 10321 1 217 . 1 1 25 25 LYS HE2 H 1 3.006 0.030 . 2 . . . . 25 LYS HE2 . 10321 1 218 . 1 1 25 25 LYS HG2 H 1 1.576 0.030 . 2 . . . . 25 LYS HG2 . 10321 1 219 . 1 1 25 25 LYS HG3 H 1 1.521 0.030 . 2 . . . . 25 LYS HG3 . 10321 1 220 . 1 1 25 25 LYS C C 13 174.537 0.300 . 1 . . . . 25 LYS C . 10321 1 221 . 1 1 25 25 LYS CA C 13 54.695 0.300 . 1 . . . . 25 LYS CA . 10321 1 222 . 1 1 25 25 LYS CB C 13 36.807 0.300 . 1 . . . . 25 LYS CB . 10321 1 223 . 1 1 25 25 LYS CD C 13 29.162 0.300 . 1 . . . . 25 LYS CD . 10321 1 224 . 1 1 25 25 LYS CE C 13 42.115 0.300 . 1 . . . . 25 LYS CE . 10321 1 225 . 1 1 25 25 LYS CG C 13 24.982 0.300 . 1 . . . . 25 LYS CG . 10321 1 226 . 1 1 25 25 LYS N N 15 127.885 0.300 . 1 . . . . 25 LYS N . 10321 1 227 . 1 1 26 26 VAL H H 1 8.303 0.030 . 1 . . . . 26 VAL H . 10321 1 228 . 1 1 26 26 VAL HA H 1 5.476 0.030 . 1 . . . . 26 VAL HA . 10321 1 229 . 1 1 26 26 VAL HB H 1 1.809 0.030 . 1 . . . . 26 VAL HB . 10321 1 230 . 1 1 26 26 VAL HG11 H 1 0.809 0.030 . 1 . . . . 26 VAL HG1 . 10321 1 231 . 1 1 26 26 VAL HG12 H 1 0.809 0.030 . 1 . . . . 26 VAL HG1 . 10321 1 232 . 1 1 26 26 VAL HG13 H 1 0.809 0.030 . 1 . . . . 26 VAL HG1 . 10321 1 233 . 1 1 26 26 VAL HG21 H 1 0.622 0.030 . 1 . . . . 26 VAL HG2 . 10321 1 234 . 1 1 26 26 VAL HG22 H 1 0.622 0.030 . 1 . . . . 26 VAL HG2 . 10321 1 235 . 1 1 26 26 VAL HG23 H 1 0.622 0.030 . 1 . . . . 26 VAL HG2 . 10321 1 236 . 1 1 26 26 VAL C C 13 174.654 0.300 . 1 . . . . 26 VAL C . 10321 1 237 . 1 1 26 26 VAL CA C 13 58.733 0.300 . 1 . . . . 26 VAL CA . 10321 1 238 . 1 1 26 26 VAL CB C 13 35.762 0.300 . 1 . . . . 26 VAL CB . 10321 1 239 . 1 1 26 26 VAL CG1 C 13 22.751 0.300 . 2 . . . . 26 VAL CG1 . 10321 1 240 . 1 1 26 26 VAL CG2 C 13 20.877 0.300 . 2 . . . . 26 VAL CG2 . 10321 1 241 . 1 1 26 26 VAL N N 15 115.081 0.300 . 1 . . . . 26 VAL N . 10321 1 242 . 1 1 27 27 PHE H H 1 8.343 0.030 . 1 . . . . 27 PHE H . 10321 1 243 . 1 1 27 27 PHE HA H 1 4.765 0.030 . 1 . . . . 27 PHE HA . 10321 1 244 . 1 1 27 27 PHE HB2 H 1 3.383 0.030 . 2 . . . . 27 PHE HB2 . 10321 1 245 . 1 1 27 27 PHE HB3 H 1 3.090 0.030 . 2 . . . . 27 PHE HB3 . 10321 1 246 . 1 1 27 27 PHE HD1 H 1 6.981 0.030 . 1 . . . . 27 PHE HD1 . 10321 1 247 . 1 1 27 27 PHE HD2 H 1 6.981 0.030 . 1 . . . . 27 PHE HD2 . 10321 1 248 . 1 1 27 27 PHE HE1 H 1 7.282 0.030 . 1 . . . . 27 PHE HE1 . 10321 1 249 . 1 1 27 27 PHE HE2 H 1 7.282 0.030 . 1 . . . . 27 PHE HE2 . 10321 1 250 . 1 1 27 27 PHE HZ H 1 7.325 0.030 . 1 . . . . 27 PHE HZ . 10321 1 251 . 1 1 27 27 PHE C C 13 172.764 0.300 . 1 . . . . 27 PHE C . 10321 1 252 . 1 1 27 27 PHE CA C 13 56.670 0.300 . 1 . . . . 27 PHE CA . 10321 1 253 . 1 1 27 27 PHE CB C 13 40.086 0.300 . 1 . . . . 27 PHE CB . 10321 1 254 . 1 1 27 27 PHE CD1 C 13 132.601 0.300 . 1 . . . . 27 PHE CD1 . 10321 1 255 . 1 1 27 27 PHE CD2 C 13 132.601 0.300 . 1 . . . . 27 PHE CD2 . 10321 1 256 . 1 1 27 27 PHE CE1 C 13 130.828 0.300 . 1 . . . . 27 PHE CE1 . 10321 1 257 . 1 1 27 27 PHE CE2 C 13 130.828 0.300 . 1 . . . . 27 PHE CE2 . 10321 1 258 . 1 1 27 27 PHE CZ C 13 129.835 0.300 . 1 . . . . 27 PHE CZ . 10321 1 259 . 1 1 27 27 PHE N N 15 118.365 0.300 . 1 . . . . 27 PHE N . 10321 1 260 . 1 1 28 28 GLY H H 1 9.152 0.030 . 1 . . . . 28 GLY H . 10321 1 261 . 1 1 28 28 GLY HA2 H 1 4.123 0.030 . 2 . . . . 28 GLY HA2 . 10321 1 262 . 1 1 28 28 GLY HA3 H 1 5.181 0.030 . 2 . . . . 28 GLY HA3 . 10321 1 263 . 1 1 28 28 GLY C C 13 173.509 0.300 . 1 . . . . 28 GLY C . 10321 1 264 . 1 1 28 28 GLY CA C 13 44.070 0.300 . 1 . . . . 28 GLY CA . 10321 1 265 . 1 1 28 28 GLY N N 15 109.174 0.300 . 1 . . . . 28 GLY N . 10321 1 266 . 1 1 29 29 PRO HA H 1 4.198 0.030 . 1 . . . . 29 PRO HA . 10321 1 267 . 1 1 29 29 PRO HB2 H 1 2.396 0.030 . 2 . . . . 29 PRO HB2 . 10321 1 268 . 1 1 29 29 PRO HB3 H 1 2.075 0.030 . 2 . . . . 29 PRO HB3 . 10321 1 269 . 1 1 29 29 PRO HD2 H 1 3.670 0.030 . 2 . . . . 29 PRO HD2 . 10321 1 270 . 1 1 29 29 PRO HD3 H 1 3.900 0.030 . 2 . . . . 29 PRO HD3 . 10321 1 271 . 1 1 29 29 PRO HG2 H 1 2.346 0.030 . 2 . . . . 29 PRO HG2 . 10321 1 272 . 1 1 29 29 PRO HG3 H 1 2.130 0.030 . 2 . . . . 29 PRO HG3 . 10321 1 273 . 1 1 29 29 PRO C C 13 178.985 0.300 . 1 . . . . 29 PRO C . 10321 1 274 . 1 1 29 29 PRO CA C 13 66.185 0.300 . 1 . . . . 29 PRO CA . 10321 1 275 . 1 1 29 29 PRO CB C 13 31.810 0.300 . 1 . . . . 29 PRO CB . 10321 1 276 . 1 1 29 29 PRO CD C 13 50.040 0.300 . 1 . . . . 29 PRO CD . 10321 1 277 . 1 1 29 29 PRO CG C 13 27.978 0.300 . 1 . . . . 29 PRO CG . 10321 1 278 . 1 1 30 30 GLY H H 1 8.934 0.030 . 1 . . . . 30 GLY H . 10321 1 279 . 1 1 30 30 GLY HA2 H 1 4.077 0.030 . 2 . . . . 30 GLY HA2 . 10321 1 280 . 1 1 30 30 GLY HA3 H 1 3.283 0.030 . 2 . . . . 30 GLY HA3 . 10321 1 281 . 1 1 30 30 GLY C C 13 172.456 0.300 . 1 . . . . 30 GLY C . 10321 1 282 . 1 1 30 30 GLY CA C 13 46.519 0.300 . 1 . . . . 30 GLY CA . 10321 1 283 . 1 1 30 30 GLY N N 15 102.218 0.300 . 1 . . . . 30 GLY N . 10321 1 284 . 1 1 31 31 ILE H H 1 7.396 0.030 . 1 . . . . 31 ILE H . 10321 1 285 . 1 1 31 31 ILE HA H 1 4.369 0.030 . 1 . . . . 31 ILE HA . 10321 1 286 . 1 1 31 31 ILE HB H 1 0.219 0.030 . 1 . . . . 31 ILE HB . 10321 1 287 . 1 1 31 31 ILE HD11 H 1 -0.468 0.030 . 1 . . . . 31 ILE HD1 . 10321 1 288 . 1 1 31 31 ILE HD12 H 1 -0.468 0.030 . 1 . . . . 31 ILE HD1 . 10321 1 289 . 1 1 31 31 ILE HD13 H 1 -0.468 0.030 . 1 . . . . 31 ILE HD1 . 10321 1 290 . 1 1 31 31 ILE HG12 H 1 -0.334 0.030 . 2 . . . . 31 ILE HG12 . 10321 1 291 . 1 1 31 31 ILE HG13 H 1 0.356 0.030 . 2 . . . . 31 ILE HG13 . 10321 1 292 . 1 1 31 31 ILE HG21 H 1 0.317 0.030 . 1 . . . . 31 ILE HG2 . 10321 1 293 . 1 1 31 31 ILE HG22 H 1 0.317 0.030 . 1 . . . . 31 ILE HG2 . 10321 1 294 . 1 1 31 31 ILE HG23 H 1 0.317 0.030 . 1 . . . . 31 ILE HG2 . 10321 1 295 . 1 1 31 31 ILE C C 13 174.854 0.300 . 1 . . . . 31 ILE C . 10321 1 296 . 1 1 31 31 ILE CA C 13 56.668 0.300 . 1 . . . . 31 ILE CA . 10321 1 297 . 1 1 31 31 ILE CB C 13 41.746 0.300 . 1 . . . . 31 ILE CB . 10321 1 298 . 1 1 31 31 ILE CD1 C 13 13.118 0.300 . 1 . . . . 31 ILE CD1 . 10321 1 299 . 1 1 31 31 ILE CG1 C 13 28.108 0.300 . 1 . . . . 31 ILE CG1 . 10321 1 300 . 1 1 31 31 ILE CG2 C 13 17.773 0.300 . 1 . . . . 31 ILE CG2 . 10321 1 301 . 1 1 31 31 ILE N N 15 115.741 0.300 . 1 . . . . 31 ILE N . 10321 1 302 . 1 1 32 32 GLU H H 1 7.611 0.030 . 1 . . . . 32 GLU H . 10321 1 303 . 1 1 32 32 GLU HA H 1 4.224 0.030 . 1 . . . . 32 GLU HA . 10321 1 304 . 1 1 32 32 GLU HB2 H 1 2.122 0.030 . 2 . . . . 32 GLU HB2 . 10321 1 305 . 1 1 32 32 GLU HB3 H 1 1.880 0.030 . 2 . . . . 32 GLU HB3 . 10321 1 306 . 1 1 32 32 GLU HG2 H 1 2.436 0.030 . 2 . . . . 32 GLU HG2 . 10321 1 307 . 1 1 32 32 GLU HG3 H 1 2.353 0.030 . 2 . . . . 32 GLU HG3 . 10321 1 308 . 1 1 32 32 GLU C C 13 177.714 0.300 . 1 . . . . 32 GLU C . 10321 1 309 . 1 1 32 32 GLU CA C 13 56.969 0.300 . 1 . . . . 32 GLU CA . 10321 1 310 . 1 1 32 32 GLU CB C 13 30.898 0.300 . 1 . . . . 32 GLU CB . 10321 1 311 . 1 1 32 32 GLU CG C 13 37.112 0.300 . 1 . . . . 32 GLU CG . 10321 1 312 . 1 1 32 32 GLU N N 15 120.993 0.300 . 1 . . . . 32 GLU N . 10321 1 313 . 1 1 33 33 GLY H H 1 7.865 0.030 . 1 . . . . 33 GLY H . 10321 1 314 . 1 1 33 33 GLY HA2 H 1 4.201 0.030 . 2 . . . . 33 GLY HA2 . 10321 1 315 . 1 1 33 33 GLY HA3 H 1 3.565 0.030 . 2 . . . . 33 GLY HA3 . 10321 1 316 . 1 1 33 33 GLY C C 13 174.003 0.300 . 1 . . . . 33 GLY C . 10321 1 317 . 1 1 33 33 GLY CA C 13 46.717 0.300 . 1 . . . . 33 GLY CA . 10321 1 318 . 1 1 33 33 GLY N N 15 105.284 0.300 . 1 . . . . 33 GLY N . 10321 1 319 . 1 1 34 34 LYS H H 1 7.862 0.030 . 1 . . . . 34 LYS H . 10321 1 320 . 1 1 34 34 LYS HA H 1 4.389 0.030 . 1 . . . . 34 LYS HA . 10321 1 321 . 1 1 34 34 LYS HB2 H 1 1.760 0.030 . 2 . . . . 34 LYS HB2 . 10321 1 322 . 1 1 34 34 LYS HB3 H 1 1.621 0.030 . 2 . . . . 34 LYS HB3 . 10321 1 323 . 1 1 34 34 LYS HD2 H 1 1.613 0.030 . 1 . . . . 34 LYS HD2 . 10321 1 324 . 1 1 34 34 LYS HD3 H 1 1.613 0.030 . 1 . . . . 34 LYS HD3 . 10321 1 325 . 1 1 34 34 LYS HE2 H 1 2.999 0.030 . 1 . . . . 34 LYS HE2 . 10321 1 326 . 1 1 34 34 LYS HE3 H 1 2.999 0.030 . 1 . . . . 34 LYS HE3 . 10321 1 327 . 1 1 34 34 LYS HG2 H 1 1.315 0.030 . 2 . . . . 34 LYS HG2 . 10321 1 328 . 1 1 34 34 LYS HG3 H 1 1.276 0.030 . 2 . . . . 34 LYS HG3 . 10321 1 329 . 1 1 34 34 LYS C C 13 174.397 0.300 . 1 . . . . 34 LYS C . 10321 1 330 . 1 1 34 34 LYS CA C 13 55.490 0.300 . 1 . . . . 34 LYS CA . 10321 1 331 . 1 1 34 34 LYS CB C 13 33.104 0.300 . 1 . . . . 34 LYS CB . 10321 1 332 . 1 1 34 34 LYS CD C 13 29.008 0.300 . 1 . . . . 34 LYS CD . 10321 1 333 . 1 1 34 34 LYS CE C 13 41.932 0.300 . 1 . . . . 34 LYS CE . 10321 1 334 . 1 1 34 34 LYS CG C 13 24.701 0.300 . 1 . . . . 34 LYS CG . 10321 1 335 . 1 1 34 34 LYS N N 15 121.376 0.300 . 1 . . . . 34 LYS N . 10321 1 336 . 1 1 35 35 ASP H H 1 8.441 0.030 . 1 . . . . 35 ASP H . 10321 1 337 . 1 1 35 35 ASP HA H 1 3.916 0.030 . 1 . . . . 35 ASP HA . 10321 1 338 . 1 1 35 35 ASP HB2 H 1 2.376 0.030 . 1 . . . . 35 ASP HB2 . 10321 1 339 . 1 1 35 35 ASP HB3 H 1 2.376 0.030 . 1 . . . . 35 ASP HB3 . 10321 1 340 . 1 1 35 35 ASP C C 13 173.413 0.300 . 1 . . . . 35 ASP C . 10321 1 341 . 1 1 35 35 ASP CA C 13 54.418 0.300 . 1 . . . . 35 ASP CA . 10321 1 342 . 1 1 35 35 ASP CB C 13 39.835 0.300 . 1 . . . . 35 ASP CB . 10321 1 343 . 1 1 35 35 ASP N N 15 122.644 0.300 . 1 . . . . 35 ASP N . 10321 1 344 . 1 1 36 36 VAL H H 1 7.631 0.030 . 1 . . . . 36 VAL H . 10321 1 345 . 1 1 36 36 VAL HA H 1 3.809 0.030 . 1 . . . . 36 VAL HA . 10321 1 346 . 1 1 36 36 VAL HB H 1 1.884 0.030 . 1 . . . . 36 VAL HB . 10321 1 347 . 1 1 36 36 VAL HG11 H 1 0.803 0.030 . 1 . . . . 36 VAL HG1 . 10321 1 348 . 1 1 36 36 VAL HG12 H 1 0.803 0.030 . 1 . . . . 36 VAL HG1 . 10321 1 349 . 1 1 36 36 VAL HG13 H 1 0.803 0.030 . 1 . . . . 36 VAL HG1 . 10321 1 350 . 1 1 36 36 VAL HG21 H 1 0.624 0.030 . 1 . . . . 36 VAL HG2 . 10321 1 351 . 1 1 36 36 VAL HG22 H 1 0.624 0.030 . 1 . . . . 36 VAL HG2 . 10321 1 352 . 1 1 36 36 VAL HG23 H 1 0.624 0.030 . 1 . . . . 36 VAL HG2 . 10321 1 353 . 1 1 36 36 VAL C C 13 174.812 0.300 . 1 . . . . 36 VAL C . 10321 1 354 . 1 1 36 36 VAL CA C 13 61.729 0.300 . 1 . . . . 36 VAL CA . 10321 1 355 . 1 1 36 36 VAL CB C 13 31.292 0.300 . 1 . . . . 36 VAL CB . 10321 1 356 . 1 1 36 36 VAL CG1 C 13 23.120 0.300 . 2 . . . . 36 VAL CG1 . 10321 1 357 . 1 1 36 36 VAL CG2 C 13 21.917 0.300 . 2 . . . . 36 VAL CG2 . 10321 1 358 . 1 1 36 36 VAL N N 15 119.999 0.300 . 1 . . . . 36 VAL N . 10321 1 359 . 1 1 37 37 PHE H H 1 8.563 0.030 . 1 . . . . 37 PHE H . 10321 1 360 . 1 1 37 37 PHE HA H 1 5.457 0.030 . 1 . . . . 37 PHE HA . 10321 1 361 . 1 1 37 37 PHE HB2 H 1 3.033 0.030 . 2 . . . . 37 PHE HB2 . 10321 1 362 . 1 1 37 37 PHE HB3 H 1 2.586 0.030 . 2 . . . . 37 PHE HB3 . 10321 1 363 . 1 1 37 37 PHE HD1 H 1 6.997 0.030 . 1 . . . . 37 PHE HD1 . 10321 1 364 . 1 1 37 37 PHE HD2 H 1 6.997 0.030 . 1 . . . . 37 PHE HD2 . 10321 1 365 . 1 1 37 37 PHE HE1 H 1 7.146 0.030 . 1 . . . . 37 PHE HE1 . 10321 1 366 . 1 1 37 37 PHE HE2 H 1 7.146 0.030 . 1 . . . . 37 PHE HE2 . 10321 1 367 . 1 1 37 37 PHE HZ H 1 7.149 0.030 . 1 . . . . 37 PHE HZ . 10321 1 368 . 1 1 37 37 PHE C C 13 176.308 0.300 . 1 . . . . 37 PHE C . 10321 1 369 . 1 1 37 37 PHE CA C 13 53.961 0.300 . 1 . . . . 37 PHE CA . 10321 1 370 . 1 1 37 37 PHE CB C 13 41.259 0.300 . 1 . . . . 37 PHE CB . 10321 1 371 . 1 1 37 37 PHE CD1 C 13 131.506 0.300 . 1 . . . . 37 PHE CD1 . 10321 1 372 . 1 1 37 37 PHE CD2 C 13 131.506 0.300 . 1 . . . . 37 PHE CD2 . 10321 1 373 . 1 1 37 37 PHE CE1 C 13 130.950 0.300 . 1 . . . . 37 PHE CE1 . 10321 1 374 . 1 1 37 37 PHE CE2 C 13 130.950 0.300 . 1 . . . . 37 PHE CE2 . 10321 1 375 . 1 1 37 37 PHE CZ C 13 129.304 0.300 . 1 . . . . 37 PHE CZ . 10321 1 376 . 1 1 37 37 PHE N N 15 126.066 0.300 . 1 . . . . 37 PHE N . 10321 1 377 . 1 1 38 38 ARG H H 1 8.298 0.030 . 1 . . . . 38 ARG H . 10321 1 378 . 1 1 38 38 ARG HA H 1 3.453 0.030 . 1 . . . . 38 ARG HA . 10321 1 379 . 1 1 38 38 ARG HB2 H 1 1.837 0.030 . 2 . . . . 38 ARG HB2 . 10321 1 380 . 1 1 38 38 ARG HB3 H 1 1.237 0.030 . 2 . . . . 38 ARG HB3 . 10321 1 381 . 1 1 38 38 ARG HD2 H 1 2.813 0.030 . 2 . . . . 38 ARG HD2 . 10321 1 382 . 1 1 38 38 ARG HD3 H 1 3.208 0.030 . 2 . . . . 38 ARG HD3 . 10321 1 383 . 1 1 38 38 ARG HG2 H 1 1.462 0.030 . 2 . . . . 38 ARG HG2 . 10321 1 384 . 1 1 38 38 ARG HG3 H 1 1.083 0.030 . 2 . . . . 38 ARG HG3 . 10321 1 385 . 1 1 38 38 ARG C C 13 176.075 0.300 . 1 . . . . 38 ARG C . 10321 1 386 . 1 1 38 38 ARG CA C 13 58.288 0.300 . 1 . . . . 38 ARG CA . 10321 1 387 . 1 1 38 38 ARG CB C 13 31.056 0.300 . 1 . . . . 38 ARG CB . 10321 1 388 . 1 1 38 38 ARG CD C 13 43.217 0.300 . 1 . . . . 38 ARG CD . 10321 1 389 . 1 1 38 38 ARG CG C 13 27.978 0.300 . 1 . . . . 38 ARG CG . 10321 1 390 . 1 1 38 38 ARG N N 15 121.909 0.300 . 1 . . . . 38 ARG N . 10321 1 391 . 1 1 39 39 GLU H H 1 8.979 0.030 . 1 . . . . 39 GLU H . 10321 1 392 . 1 1 39 39 GLU HA H 1 3.663 0.030 . 1 . . . . 39 GLU HA . 10321 1 393 . 1 1 39 39 GLU HB2 H 1 2.295 0.030 . 1 . . . . 39 GLU HB2 . 10321 1 394 . 1 1 39 39 GLU HB3 H 1 2.295 0.030 . 1 . . . . 39 GLU HB3 . 10321 1 395 . 1 1 39 39 GLU HG2 H 1 2.164 0.030 . 1 . . . . 39 GLU HG2 . 10321 1 396 . 1 1 39 39 GLU HG3 H 1 2.164 0.030 . 1 . . . . 39 GLU HG3 . 10321 1 397 . 1 1 39 39 GLU C C 13 173.796 0.300 . 1 . . . . 39 GLU C . 10321 1 398 . 1 1 39 39 GLU CA C 13 58.899 0.300 . 1 . . . . 39 GLU CA . 10321 1 399 . 1 1 39 39 GLU CB C 13 27.503 0.300 . 1 . . . . 39 GLU CB . 10321 1 400 . 1 1 39 39 GLU CG C 13 37.725 0.300 . 1 . . . . 39 GLU CG . 10321 1 401 . 1 1 39 39 GLU N N 15 117.547 0.300 . 1 . . . . 39 GLU N . 10321 1 402 . 1 1 40 40 ALA H H 1 7.852 0.030 . 1 . . . . 40 ALA H . 10321 1 403 . 1 1 40 40 ALA HA H 1 4.817 0.030 . 1 . . . . 40 ALA HA . 10321 1 404 . 1 1 40 40 ALA HB1 H 1 1.419 0.030 . 1 . . . . 40 ALA HB . 10321 1 405 . 1 1 40 40 ALA HB2 H 1 1.419 0.030 . 1 . . . . 40 ALA HB . 10321 1 406 . 1 1 40 40 ALA HB3 H 1 1.419 0.030 . 1 . . . . 40 ALA HB . 10321 1 407 . 1 1 40 40 ALA C C 13 176.485 0.300 . 1 . . . . 40 ALA C . 10321 1 408 . 1 1 40 40 ALA CA C 13 50.545 0.300 . 1 . . . . 40 ALA CA . 10321 1 409 . 1 1 40 40 ALA CB C 13 20.711 0.300 . 1 . . . . 40 ALA CB . 10321 1 410 . 1 1 40 40 ALA N N 15 122.881 0.300 . 1 . . . . 40 ALA N . 10321 1 411 . 1 1 41 41 THR H H 1 8.582 0.030 . 1 . . . . 41 THR H . 10321 1 412 . 1 1 41 41 THR HA H 1 4.448 0.030 . 1 . . . . 41 THR HA . 10321 1 413 . 1 1 41 41 THR HB H 1 3.709 0.030 . 1 . . . . 41 THR HB . 10321 1 414 . 1 1 41 41 THR HG21 H 1 1.082 0.030 . 1 . . . . 41 THR HG2 . 10321 1 415 . 1 1 41 41 THR HG22 H 1 1.082 0.030 . 1 . . . . 41 THR HG2 . 10321 1 416 . 1 1 41 41 THR HG23 H 1 1.082 0.030 . 1 . . . . 41 THR HG2 . 10321 1 417 . 1 1 41 41 THR C C 13 173.882 0.300 . 1 . . . . 41 THR C . 10321 1 418 . 1 1 41 41 THR CA C 13 63.596 0.300 . 1 . . . . 41 THR CA . 10321 1 419 . 1 1 41 41 THR CB C 13 69.428 0.300 . 1 . . . . 41 THR CB . 10321 1 420 . 1 1 41 41 THR CG2 C 13 22.467 0.300 . 1 . . . . 41 THR CG2 . 10321 1 421 . 1 1 41 41 THR N N 15 121.715 0.300 . 1 . . . . 41 THR N . 10321 1 422 . 1 1 42 42 THR H H 1 8.892 0.030 . 1 . . . . 42 THR H . 10321 1 423 . 1 1 42 42 THR HA H 1 4.631 0.030 . 1 . . . . 42 THR HA . 10321 1 424 . 1 1 42 42 THR HB H 1 3.821 0.030 . 1 . . . . 42 THR HB . 10321 1 425 . 1 1 42 42 THR HG21 H 1 0.308 0.030 . 1 . . . . 42 THR HG2 . 10321 1 426 . 1 1 42 42 THR HG22 H 1 0.308 0.030 . 1 . . . . 42 THR HG2 . 10321 1 427 . 1 1 42 42 THR HG23 H 1 0.308 0.030 . 1 . . . . 42 THR HG2 . 10321 1 428 . 1 1 42 42 THR C C 13 170.937 0.300 . 1 . . . . 42 THR C . 10321 1 429 . 1 1 42 42 THR CA C 13 60.061 0.300 . 1 . . . . 42 THR CA . 10321 1 430 . 1 1 42 42 THR CB C 13 69.082 0.300 . 1 . . . . 42 THR CB . 10321 1 431 . 1 1 42 42 THR CG2 C 13 18.729 0.300 . 1 . . . . 42 THR CG2 . 10321 1 432 . 1 1 42 42 THR N N 15 125.403 0.300 . 1 . . . . 42 THR N . 10321 1 433 . 1 1 43 43 ASP H H 1 7.698 0.030 . 1 . . . . 43 ASP H . 10321 1 434 . 1 1 43 43 ASP HA H 1 5.852 0.030 . 1 . . . . 43 ASP HA . 10321 1 435 . 1 1 43 43 ASP HB2 H 1 2.645 0.030 . 2 . . . . 43 ASP HB2 . 10321 1 436 . 1 1 43 43 ASP HB3 H 1 2.435 0.030 . 2 . . . . 43 ASP HB3 . 10321 1 437 . 1 1 43 43 ASP C C 13 174.875 0.300 . 1 . . . . 43 ASP C . 10321 1 438 . 1 1 43 43 ASP CA C 13 52.217 0.300 . 1 . . . . 43 ASP CA . 10321 1 439 . 1 1 43 43 ASP CB C 13 45.401 0.300 . 1 . . . . 43 ASP CB . 10321 1 440 . 1 1 43 43 ASP N N 15 116.289 0.300 . 1 . . . . 43 ASP N . 10321 1 441 . 1 1 44 44 PHE H H 1 8.706 0.030 . 1 . . . . 44 PHE H . 10321 1 442 . 1 1 44 44 PHE HA H 1 5.055 0.030 . 1 . . . . 44 PHE HA . 10321 1 443 . 1 1 44 44 PHE HB2 H 1 2.939 0.030 . 2 . . . . 44 PHE HB2 . 10321 1 444 . 1 1 44 44 PHE HB3 H 1 2.626 0.030 . 2 . . . . 44 PHE HB3 . 10321 1 445 . 1 1 44 44 PHE HD1 H 1 6.631 0.030 . 1 . . . . 44 PHE HD1 . 10321 1 446 . 1 1 44 44 PHE HD2 H 1 6.631 0.030 . 1 . . . . 44 PHE HD2 . 10321 1 447 . 1 1 44 44 PHE HE1 H 1 6.720 0.030 . 1 . . . . 44 PHE HE1 . 10321 1 448 . 1 1 44 44 PHE HE2 H 1 6.720 0.030 . 1 . . . . 44 PHE HE2 . 10321 1 449 . 1 1 44 44 PHE HZ H 1 6.552 0.030 . 1 . . . . 44 PHE HZ . 10321 1 450 . 1 1 44 44 PHE C C 13 171.883 0.300 . 1 . . . . 44 PHE C . 10321 1 451 . 1 1 44 44 PHE CA C 13 56.617 0.300 . 1 . . . . 44 PHE CA . 10321 1 452 . 1 1 44 44 PHE CB C 13 41.218 0.300 . 1 . . . . 44 PHE CB . 10321 1 453 . 1 1 44 44 PHE CD1 C 13 132.611 0.300 . 1 . . . . 44 PHE CD1 . 10321 1 454 . 1 1 44 44 PHE CD2 C 13 132.611 0.300 . 1 . . . . 44 PHE CD2 . 10321 1 455 . 1 1 44 44 PHE CE1 C 13 130.036 0.300 . 1 . . . . 44 PHE CE1 . 10321 1 456 . 1 1 44 44 PHE CE2 C 13 130.036 0.300 . 1 . . . . 44 PHE CE2 . 10321 1 457 . 1 1 44 44 PHE CZ C 13 128.703 0.300 . 1 . . . . 44 PHE CZ . 10321 1 458 . 1 1 44 44 PHE N N 15 112.345 0.300 . 1 . . . . 44 PHE N . 10321 1 459 . 1 1 45 45 THR H H 1 9.350 0.030 . 1 . . . . 45 THR H . 10321 1 460 . 1 1 45 45 THR HA H 1 5.161 0.030 . 1 . . . . 45 THR HA . 10321 1 461 . 1 1 45 45 THR HB H 1 2.604 0.030 . 1 . . . . 45 THR HB . 10321 1 462 . 1 1 45 45 THR HG21 H 1 0.910 0.030 . 1 . . . . 45 THR HG2 . 10321 1 463 . 1 1 45 45 THR HG22 H 1 0.910 0.030 . 1 . . . . 45 THR HG2 . 10321 1 464 . 1 1 45 45 THR HG23 H 1 0.910 0.030 . 1 . . . . 45 THR HG2 . 10321 1 465 . 1 1 45 45 THR C C 13 173.151 0.300 . 1 . . . . 45 THR C . 10321 1 466 . 1 1 45 45 THR CA C 13 61.322 0.300 . 1 . . . . 45 THR CA . 10321 1 467 . 1 1 45 45 THR CB C 13 71.045 0.300 . 1 . . . . 45 THR CB . 10321 1 468 . 1 1 45 45 THR CG2 C 13 21.232 0.300 . 1 . . . . 45 THR CG2 . 10321 1 469 . 1 1 45 45 THR N N 15 117.161 0.300 . 1 . . . . 45 THR N . 10321 1 470 . 1 1 46 46 VAL H H 1 9.173 0.030 . 1 . . . . 46 VAL H . 10321 1 471 . 1 1 46 46 VAL HA H 1 4.483 0.030 . 1 . . . . 46 VAL HA . 10321 1 472 . 1 1 46 46 VAL HB H 1 2.080 0.030 . 1 . . . . 46 VAL HB . 10321 1 473 . 1 1 46 46 VAL HG11 H 1 0.907 0.030 . 1 . . . . 46 VAL HG1 . 10321 1 474 . 1 1 46 46 VAL HG12 H 1 0.907 0.030 . 1 . . . . 46 VAL HG1 . 10321 1 475 . 1 1 46 46 VAL HG13 H 1 0.907 0.030 . 1 . . . . 46 VAL HG1 . 10321 1 476 . 1 1 46 46 VAL HG21 H 1 0.907 0.030 . 1 . . . . 46 VAL HG2 . 10321 1 477 . 1 1 46 46 VAL HG22 H 1 0.907 0.030 . 1 . . . . 46 VAL HG2 . 10321 1 478 . 1 1 46 46 VAL HG23 H 1 0.907 0.030 . 1 . . . . 46 VAL HG2 . 10321 1 479 . 1 1 46 46 VAL C C 13 174.823 0.300 . 1 . . . . 46 VAL C . 10321 1 480 . 1 1 46 46 VAL CA C 13 61.020 0.300 . 1 . . . . 46 VAL CA . 10321 1 481 . 1 1 46 46 VAL CB C 13 33.696 0.300 . 1 . . . . 46 VAL CB . 10321 1 482 . 1 1 46 46 VAL CG1 C 13 21.220 0.300 . 1 . . . . 46 VAL CG1 . 10321 1 483 . 1 1 46 46 VAL CG2 C 13 21.220 0.300 . 1 . . . . 46 VAL CG2 . 10321 1 484 . 1 1 46 46 VAL N N 15 123.551 0.300 . 1 . . . . 46 VAL N . 10321 1 485 . 1 1 47 47 ASP H H 1 9.631 0.030 . 1 . . . . 47 ASP H . 10321 1 486 . 1 1 47 47 ASP HA H 1 4.987 0.030 . 1 . . . . 47 ASP HA . 10321 1 487 . 1 1 47 47 ASP HB2 H 1 3.253 0.030 . 2 . . . . 47 ASP HB2 . 10321 1 488 . 1 1 47 47 ASP HB3 H 1 2.492 0.030 . 2 . . . . 47 ASP HB3 . 10321 1 489 . 1 1 47 47 ASP C C 13 175.594 0.300 . 1 . . . . 47 ASP C . 10321 1 490 . 1 1 47 47 ASP CA C 13 53.166 0.300 . 1 . . . . 47 ASP CA . 10321 1 491 . 1 1 47 47 ASP CB C 13 41.500 0.300 . 1 . . . . 47 ASP CB . 10321 1 492 . 1 1 47 47 ASP N N 15 127.037 0.300 . 1 . . . . 47 ASP N . 10321 1 493 . 1 1 48 48 SER H H 1 8.831 0.030 . 1 . . . . 48 SER H . 10321 1 494 . 1 1 48 48 SER HA H 1 4.893 0.030 . 1 . . . . 48 SER HA . 10321 1 495 . 1 1 48 48 SER HB2 H 1 3.840 0.030 . 2 . . . . 48 SER HB2 . 10321 1 496 . 1 1 48 48 SER HB3 H 1 4.291 0.030 . 2 . . . . 48 SER HB3 . 10321 1 497 . 1 1 48 48 SER C C 13 174.525 0.300 . 1 . . . . 48 SER C . 10321 1 498 . 1 1 48 48 SER CA C 13 56.067 0.300 . 1 . . . . 48 SER CA . 10321 1 499 . 1 1 48 48 SER CB C 13 64.799 0.300 . 1 . . . . 48 SER CB . 10321 1 500 . 1 1 48 48 SER N N 15 119.462 0.300 . 1 . . . . 48 SER N . 10321 1 501 . 1 1 49 49 ARG H H 1 8.377 0.030 . 1 . . . . 49 ARG H . 10321 1 502 . 1 1 49 49 ARG HA H 1 5.045 0.030 . 1 . . . . 49 ARG HA . 10321 1 503 . 1 1 49 49 ARG HB2 H 1 1.770 0.030 . 2 . . . . 49 ARG HB2 . 10321 1 504 . 1 1 49 49 ARG HB3 H 1 2.442 0.030 . 2 . . . . 49 ARG HB3 . 10321 1 505 . 1 1 49 49 ARG HD2 H 1 3.210 0.030 . 2 . . . . 49 ARG HD2 . 10321 1 506 . 1 1 49 49 ARG HD3 H 1 3.190 0.030 . 2 . . . . 49 ARG HD3 . 10321 1 507 . 1 1 49 49 ARG HG2 H 1 2.171 0.030 . 1 . . . . 49 ARG HG2 . 10321 1 508 . 1 1 49 49 ARG HG3 H 1 2.171 0.030 . 1 . . . . 49 ARG HG3 . 10321 1 509 . 1 1 49 49 ARG C C 13 175.500 0.300 . 1 . . . . 49 ARG C . 10321 1 510 . 1 1 49 49 ARG CA C 13 60.049 0.300 . 1 . . . . 49 ARG CA . 10321 1 511 . 1 1 49 49 ARG CB C 13 28.486 0.300 . 1 . . . . 49 ARG CB . 10321 1 512 . 1 1 49 49 ARG CD C 13 44.026 0.300 . 1 . . . . 49 ARG CD . 10321 1 513 . 1 1 49 49 ARG CG C 13 28.864 0.300 . 1 . . . . 49 ARG CG . 10321 1 514 . 1 1 49 49 ARG N N 15 124.233 0.300 . 1 . . . . 49 ARG N . 10321 1 515 . 1 1 50 50 PRO HA H 1 4.236 0.030 . 1 . . . . 50 PRO HA . 10321 1 516 . 1 1 50 50 PRO HB2 H 1 2.271 0.030 . 2 . . . . 50 PRO HB2 . 10321 1 517 . 1 1 50 50 PRO HB3 H 1 1.242 0.030 . 2 . . . . 50 PRO HB3 . 10321 1 518 . 1 1 50 50 PRO HD2 H 1 2.953 0.030 . 2 . . . . 50 PRO HD2 . 10321 1 519 . 1 1 50 50 PRO HD3 H 1 3.701 0.030 . 2 . . . . 50 PRO HD3 . 10321 1 520 . 1 1 50 50 PRO HG2 H 1 1.943 0.030 . 2 . . . . 50 PRO HG2 . 10321 1 521 . 1 1 50 50 PRO HG3 H 1 1.811 0.030 . 2 . . . . 50 PRO HG3 . 10321 1 522 . 1 1 50 50 PRO C C 13 176.173 0.300 . 1 . . . . 50 PRO C . 10321 1 523 . 1 1 50 50 PRO CA C 13 65.380 0.300 . 1 . . . . 50 PRO CA . 10321 1 524 . 1 1 50 50 PRO CB C 13 31.734 0.300 . 1 . . . . 50 PRO CB . 10321 1 525 . 1 1 50 50 PRO CD C 13 51.245 0.300 . 1 . . . . 50 PRO CD . 10321 1 526 . 1 1 50 50 PRO CG C 13 28.553 0.300 . 1 . . . . 50 PRO CG . 10321 1 527 . 1 1 51 51 LEU H H 1 7.912 0.030 . 1 . . . . 51 LEU H . 10321 1 528 . 1 1 51 51 LEU HA H 1 4.318 0.030 . 1 . . . . 51 LEU HA . 10321 1 529 . 1 1 51 51 LEU HB2 H 1 1.371 0.030 . 1 . . . . 51 LEU HB2 . 10321 1 530 . 1 1 51 51 LEU HB3 H 1 1.371 0.030 . 1 . . . . 51 LEU HB3 . 10321 1 531 . 1 1 51 51 LEU HD11 H 1 0.217 0.030 . 1 . . . . 51 LEU HD1 . 10321 1 532 . 1 1 51 51 LEU HD12 H 1 0.217 0.030 . 1 . . . . 51 LEU HD1 . 10321 1 533 . 1 1 51 51 LEU HD13 H 1 0.217 0.030 . 1 . . . . 51 LEU HD1 . 10321 1 534 . 1 1 51 51 LEU HD21 H 1 0.471 0.030 . 1 . . . . 51 LEU HD2 . 10321 1 535 . 1 1 51 51 LEU HD22 H 1 0.471 0.030 . 1 . . . . 51 LEU HD2 . 10321 1 536 . 1 1 51 51 LEU HD23 H 1 0.471 0.030 . 1 . . . . 51 LEU HD2 . 10321 1 537 . 1 1 51 51 LEU HG H 1 1.156 0.030 . 1 . . . . 51 LEU HG . 10321 1 538 . 1 1 51 51 LEU C C 13 176.681 0.300 . 1 . . . . 51 LEU C . 10321 1 539 . 1 1 51 51 LEU CA C 13 56.071 0.300 . 1 . . . . 51 LEU CA . 10321 1 540 . 1 1 51 51 LEU CB C 13 43.822 0.300 . 1 . . . . 51 LEU CB . 10321 1 541 . 1 1 51 51 LEU CD1 C 13 25.325 0.300 . 2 . . . . 51 LEU CD1 . 10321 1 542 . 1 1 51 51 LEU CD2 C 13 23.896 0.300 . 2 . . . . 51 LEU CD2 . 10321 1 543 . 1 1 51 51 LEU CG C 13 28.257 0.300 . 1 . . . . 51 LEU CG . 10321 1 544 . 1 1 51 51 LEU N N 15 115.027 0.300 . 1 . . . . 51 LEU N . 10321 1 545 . 1 1 52 52 THR H H 1 7.996 0.030 . 1 . . . . 52 THR H . 10321 1 546 . 1 1 52 52 THR HA H 1 4.601 0.030 . 1 . . . . 52 THR HA . 10321 1 547 . 1 1 52 52 THR HB H 1 4.227 0.030 . 1 . . . . 52 THR HB . 10321 1 548 . 1 1 52 52 THR HG21 H 1 1.388 0.030 . 1 . . . . 52 THR HG2 . 10321 1 549 . 1 1 52 52 THR HG22 H 1 1.388 0.030 . 1 . . . . 52 THR HG2 . 10321 1 550 . 1 1 52 52 THR HG23 H 1 1.388 0.030 . 1 . . . . 52 THR HG2 . 10321 1 551 . 1 1 52 52 THR C C 13 170.971 0.300 . 1 . . . . 52 THR C . 10321 1 552 . 1 1 52 52 THR CA C 13 58.872 0.300 . 1 . . . . 52 THR CA . 10321 1 553 . 1 1 52 52 THR CB C 13 69.514 0.300 . 1 . . . . 52 THR CB . 10321 1 554 . 1 1 52 52 THR CG2 C 13 20.448 0.300 . 1 . . . . 52 THR CG2 . 10321 1 555 . 1 1 52 52 THR N N 15 114.474 0.300 . 1 . . . . 52 THR N . 10321 1 556 . 1 1 53 53 GLN H H 1 8.653 0.030 . 1 . . . . 53 GLN H . 10321 1 557 . 1 1 53 53 GLN HA H 1 4.564 0.030 . 1 . . . . 53 GLN HA . 10321 1 558 . 1 1 53 53 GLN HB2 H 1 2.325 0.030 . 2 . . . . 53 GLN HB2 . 10321 1 559 . 1 1 53 53 GLN HB3 H 1 1.791 0.030 . 2 . . . . 53 GLN HB3 . 10321 1 560 . 1 1 53 53 GLN HE21 H 1 6.820 0.030 . 2 . . . . 53 GLN HE21 . 10321 1 561 . 1 1 53 53 GLN HE22 H 1 7.610 0.030 . 2 . . . . 53 GLN HE22 . 10321 1 562 . 1 1 53 53 GLN HG2 H 1 2.328 0.030 . 1 . . . . 53 GLN HG2 . 10321 1 563 . 1 1 53 53 GLN HG3 H 1 2.328 0.030 . 1 . . . . 53 GLN HG3 . 10321 1 564 . 1 1 53 53 GLN C C 13 175.124 0.300 . 1 . . . . 53 GLN C . 10321 1 565 . 1 1 53 53 GLN CA C 13 55.093 0.300 . 1 . . . . 53 GLN CA . 10321 1 566 . 1 1 53 53 GLN CB C 13 29.249 0.300 . 1 . . . . 53 GLN CB . 10321 1 567 . 1 1 53 53 GLN CG C 13 35.034 0.300 . 1 . . . . 53 GLN CG . 10321 1 568 . 1 1 53 53 GLN N N 15 121.519 0.300 . 1 . . . . 53 GLN N . 10321 1 569 . 1 1 53 53 GLN NE2 N 15 112.926 0.300 . 1 . . . . 53 GLN NE2 . 10321 1 570 . 1 1 54 54 VAL H H 1 7.665 0.030 . 1 . . . . 54 VAL H . 10321 1 571 . 1 1 54 54 VAL HA H 1 4.456 0.030 . 1 . . . . 54 VAL HA . 10321 1 572 . 1 1 54 54 VAL HB H 1 2.239 0.030 . 1 . . . . 54 VAL HB . 10321 1 573 . 1 1 54 54 VAL HG11 H 1 0.809 0.030 . 1 . . . . 54 VAL HG1 . 10321 1 574 . 1 1 54 54 VAL HG12 H 1 0.809 0.030 . 1 . . . . 54 VAL HG1 . 10321 1 575 . 1 1 54 54 VAL HG13 H 1 0.809 0.030 . 1 . . . . 54 VAL HG1 . 10321 1 576 . 1 1 54 54 VAL HG21 H 1 0.743 0.030 . 1 . . . . 54 VAL HG2 . 10321 1 577 . 1 1 54 54 VAL HG22 H 1 0.743 0.030 . 1 . . . . 54 VAL HG2 . 10321 1 578 . 1 1 54 54 VAL HG23 H 1 0.743 0.030 . 1 . . . . 54 VAL HG2 . 10321 1 579 . 1 1 54 54 VAL C C 13 176.206 0.300 . 1 . . . . 54 VAL C . 10321 1 580 . 1 1 54 54 VAL CA C 13 59.810 0.300 . 1 . . . . 54 VAL CA . 10321 1 581 . 1 1 54 54 VAL CB C 13 33.599 0.300 . 1 . . . . 54 VAL CB . 10321 1 582 . 1 1 54 54 VAL CG1 C 13 21.279 0.300 . 2 . . . . 54 VAL CG1 . 10321 1 583 . 1 1 54 54 VAL CG2 C 13 18.021 0.300 . 2 . . . . 54 VAL CG2 . 10321 1 584 . 1 1 54 54 VAL N N 15 108.872 0.300 . 1 . . . . 54 VAL N . 10321 1 585 . 1 1 55 55 GLY H H 1 7.335 0.030 . 1 . . . . 55 GLY H . 10321 1 586 . 1 1 55 55 GLY HA2 H 1 4.574 0.030 . 2 . . . . 55 GLY HA2 . 10321 1 587 . 1 1 55 55 GLY HA3 H 1 3.938 0.030 . 2 . . . . 55 GLY HA3 . 10321 1 588 . 1 1 55 55 GLY C C 13 174.618 0.300 . 1 . . . . 55 GLY C . 10321 1 589 . 1 1 55 55 GLY CA C 13 45.927 0.300 . 1 . . . . 55 GLY CA . 10321 1 590 . 1 1 55 55 GLY N N 15 108.543 0.300 . 1 . . . . 55 GLY N . 10321 1 591 . 1 1 56 56 GLY H H 1 9.589 0.030 . 1 . . . . 56 GLY H . 10321 1 592 . 1 1 56 56 GLY HA2 H 1 4.351 0.030 . 2 . . . . 56 GLY HA2 . 10321 1 593 . 1 1 56 56 GLY HA3 H 1 3.660 0.030 . 2 . . . . 56 GLY HA3 . 10321 1 594 . 1 1 56 56 GLY C C 13 175.330 0.300 . 1 . . . . 56 GLY C . 10321 1 595 . 1 1 56 56 GLY CA C 13 42.901 0.300 . 1 . . . . 56 GLY CA . 10321 1 596 . 1 1 56 56 GLY N N 15 113.084 0.300 . 1 . . . . 56 GLY N . 10321 1 597 . 1 1 57 57 ASP HA H 1 4.673 0.030 . 1 . . . . 57 ASP HA . 10321 1 598 . 1 1 57 57 ASP HB2 H 1 2.593 0.030 . 2 . . . . 57 ASP HB2 . 10321 1 599 . 1 1 57 57 ASP HB3 H 1 2.407 0.030 . 2 . . . . 57 ASP HB3 . 10321 1 600 . 1 1 57 57 ASP C C 13 175.409 0.300 . 1 . . . . 57 ASP C . 10321 1 601 . 1 1 57 57 ASP CA C 13 54.065 0.300 . 1 . . . . 57 ASP CA . 10321 1 602 . 1 1 57 57 ASP CB C 13 38.671 0.300 . 1 . . . . 57 ASP CB . 10321 1 603 . 1 1 58 58 HIS H H 1 7.848 0.030 . 1 . . . . 58 HIS H . 10321 1 604 . 1 1 58 58 HIS HA H 1 4.530 0.030 . 1 . . . . 58 HIS HA . 10321 1 605 . 1 1 58 58 HIS HB2 H 1 2.012 0.030 . 2 . . . . 58 HIS HB2 . 10321 1 606 . 1 1 58 58 HIS HB3 H 1 1.508 0.030 . 2 . . . . 58 HIS HB3 . 10321 1 607 . 1 1 58 58 HIS HD2 H 1 6.887 0.030 . 1 . . . . 58 HIS HD2 . 10321 1 608 . 1 1 58 58 HIS HE1 H 1 8.515 0.030 . 1 . . . . 58 HIS HE1 . 10321 1 609 . 1 1 58 58 HIS C C 13 175.216 0.300 . 1 . . . . 58 HIS C . 10321 1 610 . 1 1 58 58 HIS CA C 13 56.177 0.300 . 1 . . . . 58 HIS CA . 10321 1 611 . 1 1 58 58 HIS CB C 13 32.651 0.300 . 1 . . . . 58 HIS CB . 10321 1 612 . 1 1 58 58 HIS CD2 C 13 120.242 0.300 . 1 . . . . 58 HIS CD2 . 10321 1 613 . 1 1 58 58 HIS CE1 C 13 137.071 0.300 . 1 . . . . 58 HIS CE1 . 10321 1 614 . 1 1 58 58 HIS N N 15 118.615 0.300 . 1 . . . . 58 HIS N . 10321 1 615 . 1 1 59 59 ILE H H 1 7.852 0.030 . 1 . . . . 59 ILE H . 10321 1 616 . 1 1 59 59 ILE HA H 1 4.943 0.030 . 1 . . . . 59 ILE HA . 10321 1 617 . 1 1 59 59 ILE HB H 1 1.295 0.030 . 1 . . . . 59 ILE HB . 10321 1 618 . 1 1 59 59 ILE HD11 H 1 0.532 0.030 . 1 . . . . 59 ILE HD1 . 10321 1 619 . 1 1 59 59 ILE HD12 H 1 0.532 0.030 . 1 . . . . 59 ILE HD1 . 10321 1 620 . 1 1 59 59 ILE HD13 H 1 0.532 0.030 . 1 . . . . 59 ILE HD1 . 10321 1 621 . 1 1 59 59 ILE HG12 H 1 0.176 0.030 . 2 . . . . 59 ILE HG12 . 10321 1 622 . 1 1 59 59 ILE HG13 H 1 0.412 0.030 . 2 . . . . 59 ILE HG13 . 10321 1 623 . 1 1 59 59 ILE HG21 H 1 0.438 0.030 . 1 . . . . 59 ILE HG2 . 10321 1 624 . 1 1 59 59 ILE HG22 H 1 0.438 0.030 . 1 . . . . 59 ILE HG2 . 10321 1 625 . 1 1 59 59 ILE HG23 H 1 0.438 0.030 . 1 . . . . 59 ILE HG2 . 10321 1 626 . 1 1 59 59 ILE C C 13 175.795 0.300 . 1 . . . . 59 ILE C . 10321 1 627 . 1 1 59 59 ILE CA C 13 57.170 0.300 . 1 . . . . 59 ILE CA . 10321 1 628 . 1 1 59 59 ILE CB C 13 37.144 0.300 . 1 . . . . 59 ILE CB . 10321 1 629 . 1 1 59 59 ILE CD1 C 13 10.766 0.300 . 1 . . . . 59 ILE CD1 . 10321 1 630 . 1 1 59 59 ILE CG1 C 13 25.610 0.300 . 1 . . . . 59 ILE CG1 . 10321 1 631 . 1 1 59 59 ILE CG2 C 13 16.990 0.300 . 1 . . . . 59 ILE CG2 . 10321 1 632 . 1 1 59 59 ILE N N 15 120.284 0.300 . 1 . . . . 59 ILE N . 10321 1 633 . 1 1 60 60 LYS H H 1 8.092 0.030 . 1 . . . . 60 LYS H . 10321 1 634 . 1 1 60 60 LYS HA H 1 4.376 0.030 . 1 . . . . 60 LYS HA . 10321 1 635 . 1 1 60 60 LYS HB2 H 1 1.560 0.030 . 2 . . . . 60 LYS HB2 . 10321 1 636 . 1 1 60 60 LYS HB3 H 1 1.469 0.030 . 2 . . . . 60 LYS HB3 . 10321 1 637 . 1 1 60 60 LYS HD2 H 1 1.603 0.030 . 2 . . . . 60 LYS HD2 . 10321 1 638 . 1 1 60 60 LYS HD3 H 1 1.446 0.030 . 2 . . . . 60 LYS HD3 . 10321 1 639 . 1 1 60 60 LYS HE2 H 1 2.830 0.030 . 2 . . . . 60 LYS HE2 . 10321 1 640 . 1 1 60 60 LYS HE3 H 1 2.889 0.030 . 2 . . . . 60 LYS HE3 . 10321 1 641 . 1 1 60 60 LYS HG2 H 1 1.214 0.030 . 2 . . . . 60 LYS HG2 . 10321 1 642 . 1 1 60 60 LYS HG3 H 1 1.258 0.030 . 2 . . . . 60 LYS HG3 . 10321 1 643 . 1 1 60 60 LYS C C 13 173.728 0.300 . 1 . . . . 60 LYS C . 10321 1 644 . 1 1 60 60 LYS CA C 13 55.245 0.300 . 1 . . . . 60 LYS CA . 10321 1 645 . 1 1 60 60 LYS CB C 13 36.358 0.300 . 1 . . . . 60 LYS CB . 10321 1 646 . 1 1 60 60 LYS CD C 13 29.303 0.300 . 1 . . . . 60 LYS CD . 10321 1 647 . 1 1 60 60 LYS CE C 13 41.999 0.300 . 1 . . . . 60 LYS CE . 10321 1 648 . 1 1 60 60 LYS CG C 13 25.186 0.300 . 1 . . . . 60 LYS CG . 10321 1 649 . 1 1 60 60 LYS N N 15 125.870 0.300 . 1 . . . . 60 LYS N . 10321 1 650 . 1 1 61 61 ALA H H 1 8.397 0.030 . 1 . . . . 61 ALA H . 10321 1 651 . 1 1 61 61 ALA HA H 1 5.529 0.030 . 1 . . . . 61 ALA HA . 10321 1 652 . 1 1 61 61 ALA HB1 H 1 1.119 0.030 . 1 . . . . 61 ALA HB . 10321 1 653 . 1 1 61 61 ALA HB2 H 1 1.119 0.030 . 1 . . . . 61 ALA HB . 10321 1 654 . 1 1 61 61 ALA HB3 H 1 1.119 0.030 . 1 . . . . 61 ALA HB . 10321 1 655 . 1 1 61 61 ALA C C 13 174.728 0.300 . 1 . . . . 61 ALA C . 10321 1 656 . 1 1 61 61 ALA CA C 13 50.104 0.300 . 1 . . . . 61 ALA CA . 10321 1 657 . 1 1 61 61 ALA CB C 13 22.725 0.300 . 1 . . . . 61 ALA CB . 10321 1 658 . 1 1 61 61 ALA N N 15 122.449 0.300 . 1 . . . . 61 ALA N . 10321 1 659 . 1 1 62 62 HIS H H 1 8.748 0.030 . 1 . . . . 62 HIS H . 10321 1 660 . 1 1 62 62 HIS HA H 1 4.834 0.030 . 1 . . . . 62 HIS HA . 10321 1 661 . 1 1 62 62 HIS HB2 H 1 2.991 0.030 . 2 . . . . 62 HIS HB2 . 10321 1 662 . 1 1 62 62 HIS HB3 H 1 2.923 0.030 . 2 . . . . 62 HIS HB3 . 10321 1 663 . 1 1 62 62 HIS HD2 H 1 7.062 0.030 . 1 . . . . 62 HIS HD2 . 10321 1 664 . 1 1 62 62 HIS HE1 H 1 7.983 0.030 . 1 . . . . 62 HIS HE1 . 10321 1 665 . 1 1 62 62 HIS C C 13 172.874 0.300 . 1 . . . . 62 HIS C . 10321 1 666 . 1 1 62 62 HIS CA C 13 55.227 0.300 . 1 . . . . 62 HIS CA . 10321 1 667 . 1 1 62 62 HIS CB C 13 32.763 0.300 . 1 . . . . 62 HIS CB . 10321 1 668 . 1 1 62 62 HIS CD2 C 13 120.896 0.300 . 1 . . . . 62 HIS CD2 . 10321 1 669 . 1 1 62 62 HIS CE1 C 13 136.807 0.300 . 1 . . . . 62 HIS CE1 . 10321 1 670 . 1 1 62 62 HIS N N 15 119.553 0.300 . 1 . . . . 62 HIS N . 10321 1 671 . 1 1 63 63 ILE H H 1 8.258 0.030 . 1 . . . . 63 ILE H . 10321 1 672 . 1 1 63 63 ILE HA H 1 4.765 0.030 . 1 . . . . 63 ILE HA . 10321 1 673 . 1 1 63 63 ILE HB H 1 1.790 0.030 . 1 . . . . 63 ILE HB . 10321 1 674 . 1 1 63 63 ILE HD11 H 1 -0.276 0.030 . 1 . . . . 63 ILE HD1 . 10321 1 675 . 1 1 63 63 ILE HD12 H 1 -0.276 0.030 . 1 . . . . 63 ILE HD1 . 10321 1 676 . 1 1 63 63 ILE HD13 H 1 -0.276 0.030 . 1 . . . . 63 ILE HD1 . 10321 1 677 . 1 1 63 63 ILE HG12 H 1 0.531 0.030 . 2 . . . . 63 ILE HG12 . 10321 1 678 . 1 1 63 63 ILE HG13 H 1 1.060 0.030 . 2 . . . . 63 ILE HG13 . 10321 1 679 . 1 1 63 63 ILE HG21 H 1 0.595 0.030 . 1 . . . . 63 ILE HG2 . 10321 1 680 . 1 1 63 63 ILE HG22 H 1 0.595 0.030 . 1 . . . . 63 ILE HG2 . 10321 1 681 . 1 1 63 63 ILE HG23 H 1 0.595 0.030 . 1 . . . . 63 ILE HG2 . 10321 1 682 . 1 1 63 63 ILE C C 13 173.688 0.300 . 1 . . . . 63 ILE C . 10321 1 683 . 1 1 63 63 ILE CA C 13 60.523 0.300 . 1 . . . . 63 ILE CA . 10321 1 684 . 1 1 63 63 ILE CB C 13 39.607 0.300 . 1 . . . . 63 ILE CB . 10321 1 685 . 1 1 63 63 ILE CD1 C 13 12.998 0.300 . 1 . . . . 63 ILE CD1 . 10321 1 686 . 1 1 63 63 ILE CG1 C 13 28.171 0.300 . 1 . . . . 63 ILE CG1 . 10321 1 687 . 1 1 63 63 ILE CG2 C 13 17.319 0.300 . 1 . . . . 63 ILE CG2 . 10321 1 688 . 1 1 63 63 ILE N N 15 125.041 0.300 . 1 . . . . 63 ILE N . 10321 1 689 . 1 1 64 64 ALA H H 1 8.932 0.030 . 1 . . . . 64 ALA H . 10321 1 690 . 1 1 64 64 ALA HA H 1 4.713 0.030 . 1 . . . . 64 ALA HA . 10321 1 691 . 1 1 64 64 ALA HB1 H 1 1.349 0.030 . 1 . . . . 64 ALA HB . 10321 1 692 . 1 1 64 64 ALA HB2 H 1 1.349 0.030 . 1 . . . . 64 ALA HB . 10321 1 693 . 1 1 64 64 ALA HB3 H 1 1.349 0.030 . 1 . . . . 64 ALA HB . 10321 1 694 . 1 1 64 64 ALA C C 13 176.426 0.300 . 1 . . . . 64 ALA C . 10321 1 695 . 1 1 64 64 ALA CA C 13 50.493 0.300 . 1 . . . . 64 ALA CA . 10321 1 696 . 1 1 64 64 ALA CB C 13 21.055 0.300 . 1 . . . . 64 ALA CB . 10321 1 697 . 1 1 64 64 ALA N N 15 130.234 0.300 . 1 . . . . 64 ALA N . 10321 1 698 . 1 1 65 65 ASN H H 1 8.493 0.030 . 1 . . . . 65 ASN H . 10321 1 699 . 1 1 65 65 ASN HA H 1 4.165 0.030 . 1 . . . . 65 ASN HA . 10321 1 700 . 1 1 65 65 ASN HB2 H 1 2.357 0.030 . 2 . . . . 65 ASN HB2 . 10321 1 701 . 1 1 65 65 ASN HB3 H 1 2.231 0.030 . 2 . . . . 65 ASN HB3 . 10321 1 702 . 1 1 65 65 ASN HD21 H 1 4.951 0.030 . 2 . . . . 65 ASN HD21 . 10321 1 703 . 1 1 65 65 ASN HD22 H 1 6.661 0.030 . 2 . . . . 65 ASN HD22 . 10321 1 704 . 1 1 65 65 ASN C C 13 175.524 0.300 . 1 . . . . 65 ASN C . 10321 1 705 . 1 1 65 65 ASN CA C 13 50.368 0.300 . 1 . . . . 65 ASN CA . 10321 1 706 . 1 1 65 65 ASN CB C 13 35.487 0.300 . 1 . . . . 65 ASN CB . 10321 1 707 . 1 1 65 65 ASN N N 15 122.808 0.300 . 1 . . . . 65 ASN N . 10321 1 708 . 1 1 65 65 ASN ND2 N 15 107.926 0.300 . 1 . . . . 65 ASN ND2 . 10321 1 709 . 1 1 66 66 PRO HA H 1 4.136 0.030 . 1 . . . . 66 PRO HA . 10321 1 710 . 1 1 66 66 PRO HB2 H 1 2.321 0.030 . 2 . . . . 66 PRO HB2 . 10321 1 711 . 1 1 66 66 PRO HB3 H 1 1.883 0.030 . 2 . . . . 66 PRO HB3 . 10321 1 712 . 1 1 66 66 PRO HD2 H 1 1.866 0.030 . 2 . . . . 66 PRO HD2 . 10321 1 713 . 1 1 66 66 PRO HD3 H 1 2.776 0.030 . 2 . . . . 66 PRO HD3 . 10321 1 714 . 1 1 66 66 PRO HG2 H 1 1.801 0.030 . 2 . . . . 66 PRO HG2 . 10321 1 715 . 1 1 66 66 PRO HG3 H 1 2.069 0.030 . 2 . . . . 66 PRO HG3 . 10321 1 716 . 1 1 66 66 PRO C C 13 178.474 0.300 . 1 . . . . 66 PRO C . 10321 1 717 . 1 1 66 66 PRO CA C 13 65.643 0.300 . 1 . . . . 66 PRO CA . 10321 1 718 . 1 1 66 66 PRO CB C 13 31.362 0.300 . 1 . . . . 66 PRO CB . 10321 1 719 . 1 1 66 66 PRO CD C 13 48.799 0.300 . 1 . . . . 66 PRO CD . 10321 1 720 . 1 1 66 66 PRO CG C 13 26.669 0.300 . 1 . . . . 66 PRO CG . 10321 1 721 . 1 1 67 67 SER H H 1 8.572 0.030 . 1 . . . . 67 SER H . 10321 1 722 . 1 1 67 67 SER HA H 1 4.099 0.030 . 1 . . . . 67 SER HA . 10321 1 723 . 1 1 67 67 SER HB2 H 1 3.973 0.030 . 2 . . . . 67 SER HB2 . 10321 1 724 . 1 1 67 67 SER HB3 H 1 3.928 0.030 . 2 . . . . 67 SER HB3 . 10321 1 725 . 1 1 67 67 SER C C 13 176.080 0.300 . 1 . . . . 67 SER C . 10321 1 726 . 1 1 67 67 SER CA C 13 59.940 0.300 . 1 . . . . 67 SER CA . 10321 1 727 . 1 1 67 67 SER CB C 13 63.076 0.300 . 1 . . . . 67 SER CB . 10321 1 728 . 1 1 67 67 SER N N 15 109.967 0.300 . 1 . . . . 67 SER N . 10321 1 729 . 1 1 68 68 GLY H H 1 7.963 0.030 . 1 . . . . 68 GLY H . 10321 1 730 . 1 1 68 68 GLY HA2 H 1 3.623 0.030 . 2 . . . . 68 GLY HA2 . 10321 1 731 . 1 1 68 68 GLY HA3 H 1 4.534 0.030 . 2 . . . . 68 GLY HA3 . 10321 1 732 . 1 1 68 68 GLY C C 13 174.765 0.300 . 1 . . . . 68 GLY C . 10321 1 733 . 1 1 68 68 GLY CA C 13 44.661 0.300 . 1 . . . . 68 GLY CA . 10321 1 734 . 1 1 68 68 GLY N N 15 111.280 0.300 . 1 . . . . 68 GLY N . 10321 1 735 . 1 1 69 69 ALA H H 1 7.849 0.030 . 1 . . . . 69 ALA H . 10321 1 736 . 1 1 69 69 ALA HA H 1 4.515 0.030 . 1 . . . . 69 ALA HA . 10321 1 737 . 1 1 69 69 ALA HB1 H 1 1.531 0.030 . 1 . . . . 69 ALA HB . 10321 1 738 . 1 1 69 69 ALA HB2 H 1 1.531 0.030 . 1 . . . . 69 ALA HB . 10321 1 739 . 1 1 69 69 ALA HB3 H 1 1.531 0.030 . 1 . . . . 69 ALA HB . 10321 1 740 . 1 1 69 69 ALA C C 13 174.396 0.300 . 1 . . . . 69 ALA C . 10321 1 741 . 1 1 69 69 ALA CA C 13 51.874 0.300 . 1 . . . . 69 ALA CA . 10321 1 742 . 1 1 69 69 ALA CB C 13 18.933 0.300 . 1 . . . . 69 ALA CB . 10321 1 743 . 1 1 69 69 ALA N N 15 123.007 0.300 . 1 . . . . 69 ALA N . 10321 1 744 . 1 1 70 70 SER H H 1 8.201 0.030 . 1 . . . . 70 SER H . 10321 1 745 . 1 1 70 70 SER HA H 1 5.333 0.030 . 1 . . . . 70 SER HA . 10321 1 746 . 1 1 70 70 SER HB2 H 1 3.774 0.030 . 1 . . . . 70 SER HB2 . 10321 1 747 . 1 1 70 70 SER HB3 H 1 3.774 0.030 . 1 . . . . 70 SER HB3 . 10321 1 748 . 1 1 70 70 SER C C 13 174.487 0.300 . 1 . . . . 70 SER C . 10321 1 749 . 1 1 70 70 SER CA C 13 57.072 0.300 . 1 . . . . 70 SER CA . 10321 1 750 . 1 1 70 70 SER CB C 13 65.945 0.300 . 1 . . . . 70 SER CB . 10321 1 751 . 1 1 70 70 SER N N 15 113.215 0.300 . 1 . . . . 70 SER N . 10321 1 752 . 1 1 71 71 THR H H 1 7.589 0.030 . 1 . . . . 71 THR H . 10321 1 753 . 1 1 71 71 THR HA H 1 4.765 0.030 . 1 . . . . 71 THR HA . 10321 1 754 . 1 1 71 71 THR HB H 1 3.652 0.030 . 1 . . . . 71 THR HB . 10321 1 755 . 1 1 71 71 THR HG21 H 1 1.356 0.030 . 1 . . . . 71 THR HG2 . 10321 1 756 . 1 1 71 71 THR HG22 H 1 1.356 0.030 . 1 . . . . 71 THR HG2 . 10321 1 757 . 1 1 71 71 THR HG23 H 1 1.356 0.030 . 1 . . . . 71 THR HG2 . 10321 1 758 . 1 1 71 71 THR C C 13 173.944 0.300 . 1 . . . . 71 THR C . 10321 1 759 . 1 1 71 71 THR CA C 13 62.459 0.300 . 1 . . . . 71 THR CA . 10321 1 760 . 1 1 71 71 THR CB C 13 70.562 0.300 . 1 . . . . 71 THR CB . 10321 1 761 . 1 1 71 71 THR CG2 C 13 21.767 0.300 . 1 . . . . 71 THR CG2 . 10321 1 762 . 1 1 71 71 THR N N 15 118.882 0.300 . 1 . . . . 71 THR N . 10321 1 763 . 1 1 72 72 GLU H H 1 9.230 0.030 . 1 . . . . 72 GLU H . 10321 1 764 . 1 1 72 72 GLU HA H 1 3.984 0.030 . 1 . . . . 72 GLU HA . 10321 1 765 . 1 1 72 72 GLU HB2 H 1 1.924 0.030 . 2 . . . . 72 GLU HB2 . 10321 1 766 . 1 1 72 72 GLU HB3 H 1 1.810 0.030 . 2 . . . . 72 GLU HB3 . 10321 1 767 . 1 1 72 72 GLU HG2 H 1 2.137 0.030 . 2 . . . . 72 GLU HG2 . 10321 1 768 . 1 1 72 72 GLU HG3 H 1 1.886 0.030 . 2 . . . . 72 GLU HG3 . 10321 1 769 . 1 1 72 72 GLU C C 13 175.148 0.300 . 1 . . . . 72 GLU C . 10321 1 770 . 1 1 72 72 GLU CA C 13 57.418 0.300 . 1 . . . . 72 GLU CA . 10321 1 771 . 1 1 72 72 GLU CB C 13 30.195 0.300 . 1 . . . . 72 GLU CB . 10321 1 772 . 1 1 72 72 GLU CG C 13 36.207 0.300 . 1 . . . . 72 GLU CG . 10321 1 773 . 1 1 72 72 GLU N N 15 129.127 0.300 . 1 . . . . 72 GLU N . 10321 1 774 . 1 1 73 73 CYS H H 1 8.248 0.030 . 1 . . . . 73 CYS H . 10321 1 775 . 1 1 73 73 CYS HA H 1 5.221 0.030 . 1 . . . . 73 CYS HA . 10321 1 776 . 1 1 73 73 CYS HB2 H 1 2.595 0.030 . 2 . . . . 73 CYS HB2 . 10321 1 777 . 1 1 73 73 CYS HB3 H 1 2.361 0.030 . 2 . . . . 73 CYS HB3 . 10321 1 778 . 1 1 73 73 CYS C C 13 173.569 0.300 . 1 . . . . 73 CYS C . 10321 1 779 . 1 1 73 73 CYS CA C 13 56.382 0.300 . 1 . . . . 73 CYS CA . 10321 1 780 . 1 1 73 73 CYS CB C 13 30.885 0.300 . 1 . . . . 73 CYS CB . 10321 1 781 . 1 1 73 73 CYS N N 15 118.244 0.300 . 1 . . . . 73 CYS N . 10321 1 782 . 1 1 74 74 PHE H H 1 9.081 0.030 . 1 . . . . 74 PHE H . 10321 1 783 . 1 1 74 74 PHE HA H 1 4.762 0.030 . 1 . . . . 74 PHE HA . 10321 1 784 . 1 1 74 74 PHE HB2 H 1 3.081 0.030 . 2 . . . . 74 PHE HB2 . 10321 1 785 . 1 1 74 74 PHE HB3 H 1 2.808 0.030 . 2 . . . . 74 PHE HB3 . 10321 1 786 . 1 1 74 74 PHE HD1 H 1 7.209 0.030 . 1 . . . . 74 PHE HD1 . 10321 1 787 . 1 1 74 74 PHE HD2 H 1 7.209 0.030 . 1 . . . . 74 PHE HD2 . 10321 1 788 . 1 1 74 74 PHE HE1 H 1 7.281 0.030 . 1 . . . . 74 PHE HE1 . 10321 1 789 . 1 1 74 74 PHE HE2 H 1 7.281 0.030 . 1 . . . . 74 PHE HE2 . 10321 1 790 . 1 1 74 74 PHE HZ H 1 7.195 0.030 . 1 . . . . 74 PHE HZ . 10321 1 791 . 1 1 74 74 PHE C C 13 175.483 0.300 . 1 . . . . 74 PHE C . 10321 1 792 . 1 1 74 74 PHE CA C 13 57.409 0.300 . 1 . . . . 74 PHE CA . 10321 1 793 . 1 1 74 74 PHE CB C 13 40.765 0.300 . 1 . . . . 74 PHE CB . 10321 1 794 . 1 1 74 74 PHE CD1 C 13 132.083 0.300 . 1 . . . . 74 PHE CD1 . 10321 1 795 . 1 1 74 74 PHE CD2 C 13 132.083 0.300 . 1 . . . . 74 PHE CD2 . 10321 1 796 . 1 1 74 74 PHE CE1 C 13 131.079 0.300 . 1 . . . . 74 PHE CE1 . 10321 1 797 . 1 1 74 74 PHE CE2 C 13 131.079 0.300 . 1 . . . . 74 PHE CE2 . 10321 1 798 . 1 1 74 74 PHE CZ C 13 129.696 0.300 . 1 . . . . 74 PHE CZ . 10321 1 799 . 1 1 74 74 PHE N N 15 121.901 0.300 . 1 . . . . 74 PHE N . 10321 1 800 . 1 1 75 75 VAL H H 1 9.119 0.030 . 1 . . . . 75 VAL H . 10321 1 801 . 1 1 75 75 VAL HA H 1 4.830 0.030 . 1 . . . . 75 VAL HA . 10321 1 802 . 1 1 75 75 VAL HB H 1 2.076 0.030 . 1 . . . . 75 VAL HB . 10321 1 803 . 1 1 75 75 VAL HG11 H 1 0.831 0.030 . 1 . . . . 75 VAL HG1 . 10321 1 804 . 1 1 75 75 VAL HG12 H 1 0.831 0.030 . 1 . . . . 75 VAL HG1 . 10321 1 805 . 1 1 75 75 VAL HG13 H 1 0.831 0.030 . 1 . . . . 75 VAL HG1 . 10321 1 806 . 1 1 75 75 VAL HG21 H 1 0.831 0.030 . 1 . . . . 75 VAL HG2 . 10321 1 807 . 1 1 75 75 VAL HG22 H 1 0.831 0.030 . 1 . . . . 75 VAL HG2 . 10321 1 808 . 1 1 75 75 VAL HG23 H 1 0.831 0.030 . 1 . . . . 75 VAL HG2 . 10321 1 809 . 1 1 75 75 VAL C C 13 176.179 0.300 . 1 . . . . 75 VAL C . 10321 1 810 . 1 1 75 75 VAL CA C 13 61.843 0.300 . 1 . . . . 75 VAL CA . 10321 1 811 . 1 1 75 75 VAL CB C 13 33.255 0.300 . 1 . . . . 75 VAL CB . 10321 1 812 . 1 1 75 75 VAL CG1 C 13 21.449 0.300 . 1 . . . . 75 VAL CG1 . 10321 1 813 . 1 1 75 75 VAL CG2 C 13 21.449 0.300 . 1 . . . . 75 VAL CG2 . 10321 1 814 . 1 1 75 75 VAL N N 15 128.451 0.300 . 1 . . . . 75 VAL N . 10321 1 815 . 1 1 76 76 THR H H 1 9.851 0.030 . 1 . . . . 76 THR H . 10321 1 816 . 1 1 76 76 THR HA H 1 4.452 0.030 . 1 . . . . 76 THR HA . 10321 1 817 . 1 1 76 76 THR HB H 1 3.963 0.030 . 1 . . . . 76 THR HB . 10321 1 818 . 1 1 76 76 THR HG21 H 1 1.059 0.030 . 1 . . . . 76 THR HG2 . 10321 1 819 . 1 1 76 76 THR HG22 H 1 1.059 0.030 . 1 . . . . 76 THR HG2 . 10321 1 820 . 1 1 76 76 THR HG23 H 1 1.059 0.030 . 1 . . . . 76 THR HG2 . 10321 1 821 . 1 1 76 76 THR C C 13 172.735 0.300 . 1 . . . . 76 THR C . 10321 1 822 . 1 1 76 76 THR CA C 13 62.368 0.300 . 1 . . . . 76 THR CA . 10321 1 823 . 1 1 76 76 THR CB C 13 70.705 0.300 . 1 . . . . 76 THR CB . 10321 1 824 . 1 1 76 76 THR CG2 C 13 20.880 0.300 . 1 . . . . 76 THR CG2 . 10321 1 825 . 1 1 76 76 THR N N 15 126.669 0.300 . 1 . . . . 76 THR N . 10321 1 826 . 1 1 77 77 ASP H H 1 8.903 0.030 . 1 . . . . 77 ASP H . 10321 1 827 . 1 1 77 77 ASP HA H 1 4.410 0.030 . 1 . . . . 77 ASP HA . 10321 1 828 . 1 1 77 77 ASP HB2 H 1 3.008 0.030 . 2 . . . . 77 ASP HB2 . 10321 1 829 . 1 1 77 77 ASP HB3 H 1 2.870 0.030 . 2 . . . . 77 ASP HB3 . 10321 1 830 . 1 1 77 77 ASP C C 13 176.192 0.300 . 1 . . . . 77 ASP C . 10321 1 831 . 1 1 77 77 ASP CA C 13 52.891 0.300 . 1 . . . . 77 ASP CA . 10321 1 832 . 1 1 77 77 ASP CB C 13 41.259 0.300 . 1 . . . . 77 ASP CB . 10321 1 833 . 1 1 77 77 ASP N N 15 126.882 0.300 . 1 . . . . 77 ASP N . 10321 1 834 . 1 1 78 78 ASN H H 1 7.343 0.030 . 1 . . . . 78 ASN H . 10321 1 835 . 1 1 78 78 ASN HA H 1 4.500 0.030 . 1 . . . . 78 ASN HA . 10321 1 836 . 1 1 78 78 ASN HB2 H 1 2.832 0.030 . 2 . . . . 78 ASN HB2 . 10321 1 837 . 1 1 78 78 ASN HB3 H 1 2.669 0.030 . 2 . . . . 78 ASN HB3 . 10321 1 838 . 1 1 78 78 ASN HD21 H 1 6.547 0.030 . 2 . . . . 78 ASN HD21 . 10321 1 839 . 1 1 78 78 ASN HD22 H 1 7.409 0.030 . 2 . . . . 78 ASN HD22 . 10321 1 840 . 1 1 78 78 ASN C C 13 174.129 0.300 . 1 . . . . 78 ASN C . 10321 1 841 . 1 1 78 78 ASN CA C 13 54.438 0.300 . 1 . . . . 78 ASN CA . 10321 1 842 . 1 1 78 78 ASN CB C 13 37.635 0.300 . 1 . . . . 78 ASN CB . 10321 1 843 . 1 1 78 78 ASN N N 15 124.715 0.300 . 1 . . . . 78 ASN N . 10321 1 844 . 1 1 78 78 ASN ND2 N 15 112.127 0.300 . 1 . . . . 78 ASN ND2 . 10321 1 845 . 1 1 79 79 ALA H H 1 9.177 0.030 . 1 . . . . 79 ALA H . 10321 1 846 . 1 1 79 79 ALA HA H 1 3.845 0.030 . 1 . . . . 79 ALA HA . 10321 1 847 . 1 1 79 79 ALA HB1 H 1 1.377 0.030 . 1 . . . . 79 ALA HB . 10321 1 848 . 1 1 79 79 ALA HB2 H 1 1.377 0.030 . 1 . . . . 79 ALA HB . 10321 1 849 . 1 1 79 79 ALA HB3 H 1 1.377 0.030 . 1 . . . . 79 ALA HB . 10321 1 850 . 1 1 79 79 ALA C C 13 175.078 0.300 . 1 . . . . 79 ALA C . 10321 1 851 . 1 1 79 79 ALA CA C 13 53.125 0.300 . 1 . . . . 79 ALA CA . 10321 1 852 . 1 1 79 79 ALA CB C 13 16.153 0.300 . 1 . . . . 79 ALA CB . 10321 1 853 . 1 1 79 79 ALA N N 15 120.864 0.300 . 1 . . . . 79 ALA N . 10321 1 854 . 1 1 80 80 ASP H H 1 7.650 0.030 . 1 . . . . 80 ASP H . 10321 1 855 . 1 1 80 80 ASP HA H 1 4.752 0.030 . 1 . . . . 80 ASP HA . 10321 1 856 . 1 1 80 80 ASP HB2 H 1 2.917 0.030 . 2 . . . . 80 ASP HB2 . 10321 1 857 . 1 1 80 80 ASP HB3 H 1 2.351 0.030 . 2 . . . . 80 ASP HB3 . 10321 1 858 . 1 1 80 80 ASP C C 13 176.522 0.300 . 1 . . . . 80 ASP C . 10321 1 859 . 1 1 80 80 ASP CA C 13 52.359 0.300 . 1 . . . . 80 ASP CA . 10321 1 860 . 1 1 80 80 ASP CB C 13 41.382 0.300 . 1 . . . . 80 ASP CB . 10321 1 861 . 1 1 80 80 ASP N N 15 114.866 0.300 . 1 . . . . 80 ASP N . 10321 1 862 . 1 1 81 81 GLY H H 1 8.750 0.030 . 1 . . . . 81 GLY H . 10321 1 863 . 1 1 81 81 GLY HA2 H 1 4.830 0.030 . 2 . . . . 81 GLY HA2 . 10321 1 864 . 1 1 81 81 GLY HA3 H 1 3.296 0.030 . 2 . . . . 81 GLY HA3 . 10321 1 865 . 1 1 81 81 GLY C C 13 173.981 0.300 . 1 . . . . 81 GLY C . 10321 1 866 . 1 1 81 81 GLY CA C 13 46.955 0.300 . 1 . . . . 81 GLY CA . 10321 1 867 . 1 1 81 81 GLY N N 15 108.449 0.300 . 1 . . . . 81 GLY N . 10321 1 868 . 1 1 82 82 THR H H 1 8.593 0.030 . 1 . . . . 82 THR H . 10321 1 869 . 1 1 82 82 THR HA H 1 5.740 0.030 . 1 . . . . 82 THR HA . 10321 1 870 . 1 1 82 82 THR HB H 1 4.052 0.030 . 1 . . . . 82 THR HB . 10321 1 871 . 1 1 82 82 THR HG21 H 1 1.108 0.030 . 1 . . . . 82 THR HG2 . 10321 1 872 . 1 1 82 82 THR HG22 H 1 1.108 0.030 . 1 . . . . 82 THR HG2 . 10321 1 873 . 1 1 82 82 THR HG23 H 1 1.108 0.030 . 1 . . . . 82 THR HG2 . 10321 1 874 . 1 1 82 82 THR C C 13 174.504 0.300 . 1 . . . . 82 THR C . 10321 1 875 . 1 1 82 82 THR CA C 13 60.136 0.300 . 1 . . . . 82 THR CA . 10321 1 876 . 1 1 82 82 THR CB C 13 72.603 0.300 . 1 . . . . 82 THR CB . 10321 1 877 . 1 1 82 82 THR CG2 C 13 20.947 0.300 . 1 . . . . 82 THR CG2 . 10321 1 878 . 1 1 82 82 THR N N 15 111.407 0.300 . 1 . . . . 82 THR N . 10321 1 879 . 1 1 83 83 TYR H H 1 9.013 0.030 . 1 . . . . 83 TYR H . 10321 1 880 . 1 1 83 83 TYR HA H 1 5.292 0.030 . 1 . . . . 83 TYR HA . 10321 1 881 . 1 1 83 83 TYR HB2 H 1 2.647 0.030 . 2 . . . . 83 TYR HB2 . 10321 1 882 . 1 1 83 83 TYR HB3 H 1 2.506 0.030 . 2 . . . . 83 TYR HB3 . 10321 1 883 . 1 1 83 83 TYR HD1 H 1 6.848 0.030 . 1 . . . . 83 TYR HD1 . 10321 1 884 . 1 1 83 83 TYR HD2 H 1 6.848 0.030 . 1 . . . . 83 TYR HD2 . 10321 1 885 . 1 1 83 83 TYR C C 13 174.441 0.300 . 1 . . . . 83 TYR C . 10321 1 886 . 1 1 83 83 TYR CA C 13 56.604 0.300 . 1 . . . . 83 TYR CA . 10321 1 887 . 1 1 83 83 TYR CB C 13 42.018 0.300 . 1 . . . . 83 TYR CB . 10321 1 888 . 1 1 83 83 TYR CD1 C 13 132.889 0.300 . 1 . . . . 83 TYR CD1 . 10321 1 889 . 1 1 83 83 TYR CD2 C 13 132.889 0.300 . 1 . . . . 83 TYR CD2 . 10321 1 890 . 1 1 83 83 TYR N N 15 119.935 0.300 . 1 . . . . 83 TYR N . 10321 1 891 . 1 1 84 84 GLN H H 1 8.887 0.030 . 1 . . . . 84 GLN H . 10321 1 892 . 1 1 84 84 GLN HA H 1 5.059 0.030 . 1 . . . . 84 GLN HA . 10321 1 893 . 1 1 84 84 GLN HB2 H 1 2.005 0.030 . 1 . . . . 84 GLN HB2 . 10321 1 894 . 1 1 84 84 GLN HB3 H 1 2.005 0.030 . 1 . . . . 84 GLN HB3 . 10321 1 895 . 1 1 84 84 GLN HE21 H 1 7.446 0.030 . 2 . . . . 84 GLN HE21 . 10321 1 896 . 1 1 84 84 GLN HE22 H 1 6.696 0.030 . 2 . . . . 84 GLN HE22 . 10321 1 897 . 1 1 84 84 GLN HG2 H 1 2.216 0.030 . 1 . . . . 84 GLN HG2 . 10321 1 898 . 1 1 84 84 GLN HG3 H 1 2.216 0.030 . 1 . . . . 84 GLN HG3 . 10321 1 899 . 1 1 84 84 GLN C C 13 174.610 0.300 . 1 . . . . 84 GLN C . 10321 1 900 . 1 1 84 84 GLN CA C 13 54.069 0.300 . 1 . . . . 84 GLN CA . 10321 1 901 . 1 1 84 84 GLN CB C 13 31.785 0.300 . 1 . . . . 84 GLN CB . 10321 1 902 . 1 1 84 84 GLN CG C 13 34.253 0.300 . 1 . . . . 84 GLN CG . 10321 1 903 . 1 1 84 84 GLN N N 15 122.565 0.300 . 1 . . . . 84 GLN N . 10321 1 904 . 1 1 84 84 GLN NE2 N 15 111.329 0.300 . 1 . . . . 84 GLN NE2 . 10321 1 905 . 1 1 85 85 VAL H H 1 8.954 0.030 . 1 . . . . 85 VAL H . 10321 1 906 . 1 1 85 85 VAL HA H 1 4.567 0.030 . 1 . . . . 85 VAL HA . 10321 1 907 . 1 1 85 85 VAL HB H 1 -0.056 0.030 . 1 . . . . 85 VAL HB . 10321 1 908 . 1 1 85 85 VAL HG11 H 1 0.360 0.030 . 1 . . . . 85 VAL HG1 . 10321 1 909 . 1 1 85 85 VAL HG12 H 1 0.360 0.030 . 1 . . . . 85 VAL HG1 . 10321 1 910 . 1 1 85 85 VAL HG13 H 1 0.360 0.030 . 1 . . . . 85 VAL HG1 . 10321 1 911 . 1 1 85 85 VAL HG21 H 1 0.274 0.030 . 1 . . . . 85 VAL HG2 . 10321 1 912 . 1 1 85 85 VAL HG22 H 1 0.274 0.030 . 1 . . . . 85 VAL HG2 . 10321 1 913 . 1 1 85 85 VAL HG23 H 1 0.274 0.030 . 1 . . . . 85 VAL HG2 . 10321 1 914 . 1 1 85 85 VAL C C 13 173.851 0.300 . 1 . . . . 85 VAL C . 10321 1 915 . 1 1 85 85 VAL CA C 13 60.946 0.300 . 1 . . . . 85 VAL CA . 10321 1 916 . 1 1 85 85 VAL CB C 13 31.597 0.300 . 1 . . . . 85 VAL CB . 10321 1 917 . 1 1 85 85 VAL CG1 C 13 22.211 0.300 . 2 . . . . 85 VAL CG1 . 10321 1 918 . 1 1 85 85 VAL CG2 C 13 20.305 0.300 . 2 . . . . 85 VAL CG2 . 10321 1 919 . 1 1 85 85 VAL N N 15 126.470 0.300 . 1 . . . . 85 VAL N . 10321 1 920 . 1 1 86 86 GLU H H 1 8.687 0.030 . 1 . . . . 86 GLU H . 10321 1 921 . 1 1 86 86 GLU HA H 1 5.383 0.030 . 1 . . . . 86 GLU HA . 10321 1 922 . 1 1 86 86 GLU HB2 H 1 1.978 0.030 . 1 . . . . 86 GLU HB2 . 10321 1 923 . 1 1 86 86 GLU HB3 H 1 1.978 0.030 . 1 . . . . 86 GLU HB3 . 10321 1 924 . 1 1 86 86 GLU HG2 H 1 2.221 0.030 . 2 . . . . 86 GLU HG2 . 10321 1 925 . 1 1 86 86 GLU HG3 H 1 2.120 0.030 . 2 . . . . 86 GLU HG3 . 10321 1 926 . 1 1 86 86 GLU C C 13 175.322 0.300 . 1 . . . . 86 GLU C . 10321 1 927 . 1 1 86 86 GLU CA C 13 54.063 0.300 . 1 . . . . 86 GLU CA . 10321 1 928 . 1 1 86 86 GLU CB C 13 35.088 0.300 . 1 . . . . 86 GLU CB . 10321 1 929 . 1 1 86 86 GLU CG C 13 37.852 0.300 . 1 . . . . 86 GLU CG . 10321 1 930 . 1 1 86 86 GLU N N 15 124.856 0.300 . 1 . . . . 86 GLU N . 10321 1 931 . 1 1 87 87 TYR H H 1 8.435 0.030 . 1 . . . . 87 TYR H . 10321 1 932 . 1 1 87 87 TYR HA H 1 5.040 0.030 . 1 . . . . 87 TYR HA . 10321 1 933 . 1 1 87 87 TYR HB2 H 1 3.170 0.030 . 2 . . . . 87 TYR HB2 . 10321 1 934 . 1 1 87 87 TYR HB3 H 1 2.679 0.030 . 2 . . . . 87 TYR HB3 . 10321 1 935 . 1 1 87 87 TYR HD1 H 1 6.446 0.030 . 1 . . . . 87 TYR HD1 . 10321 1 936 . 1 1 87 87 TYR HD2 H 1 6.446 0.030 . 1 . . . . 87 TYR HD2 . 10321 1 937 . 1 1 87 87 TYR HE1 H 1 6.192 0.030 . 1 . . . . 87 TYR HE1 . 10321 1 938 . 1 1 87 87 TYR HE2 H 1 6.192 0.030 . 1 . . . . 87 TYR HE2 . 10321 1 939 . 1 1 87 87 TYR C C 13 172.744 0.300 . 1 . . . . 87 TYR C . 10321 1 940 . 1 1 87 87 TYR CA C 13 57.313 0.300 . 1 . . . . 87 TYR CA . 10321 1 941 . 1 1 87 87 TYR CB C 13 41.401 0.300 . 1 . . . . 87 TYR CB . 10321 1 942 . 1 1 87 87 TYR CD1 C 13 133.052 0.300 . 1 . . . . 87 TYR CD1 . 10321 1 943 . 1 1 87 87 TYR CD2 C 13 133.052 0.300 . 1 . . . . 87 TYR CD2 . 10321 1 944 . 1 1 87 87 TYR CE1 C 13 116.161 0.300 . 1 . . . . 87 TYR CE1 . 10321 1 945 . 1 1 87 87 TYR CE2 C 13 116.161 0.300 . 1 . . . . 87 TYR CE2 . 10321 1 946 . 1 1 87 87 TYR N N 15 117.770 0.300 . 1 . . . . 87 TYR N . 10321 1 947 . 1 1 88 88 THR H H 1 9.004 0.030 . 1 . . . . 88 THR H . 10321 1 948 . 1 1 88 88 THR HA H 1 4.952 0.030 . 1 . . . . 88 THR HA . 10321 1 949 . 1 1 88 88 THR HB H 1 4.013 0.030 . 1 . . . . 88 THR HB . 10321 1 950 . 1 1 88 88 THR HG21 H 1 0.841 0.030 . 1 . . . . 88 THR HG2 . 10321 1 951 . 1 1 88 88 THR HG22 H 1 0.841 0.030 . 1 . . . . 88 THR HG2 . 10321 1 952 . 1 1 88 88 THR HG23 H 1 0.841 0.030 . 1 . . . . 88 THR HG2 . 10321 1 953 . 1 1 88 88 THR C C 13 172.296 0.300 . 1 . . . . 88 THR C . 10321 1 954 . 1 1 88 88 THR CA C 13 58.641 0.300 . 1 . . . . 88 THR CA . 10321 1 955 . 1 1 88 88 THR CB C 13 70.100 0.300 . 1 . . . . 88 THR CB . 10321 1 956 . 1 1 88 88 THR CG2 C 13 20.198 0.300 . 1 . . . . 88 THR CG2 . 10321 1 957 . 1 1 88 88 THR N N 15 117.638 0.300 . 1 . . . . 88 THR N . 10321 1 958 . 1 1 89 89 PRO HA H 1 4.688 0.030 . 1 . . . . 89 PRO HA . 10321 1 959 . 1 1 89 89 PRO HB2 H 1 1.906 0.030 . 2 . . . . 89 PRO HB2 . 10321 1 960 . 1 1 89 89 PRO HB3 H 1 1.840 0.030 . 2 . . . . 89 PRO HB3 . 10321 1 961 . 1 1 89 89 PRO HD2 H 1 3.509 0.030 . 2 . . . . 89 PRO HD2 . 10321 1 962 . 1 1 89 89 PRO HD3 H 1 4.370 0.030 . 2 . . . . 89 PRO HD3 . 10321 1 963 . 1 1 89 89 PRO HG2 H 1 2.047 0.030 . 2 . . . . 89 PRO HG2 . 10321 1 964 . 1 1 89 89 PRO HG3 H 1 1.632 0.030 . 2 . . . . 89 PRO HG3 . 10321 1 965 . 1 1 89 89 PRO C C 13 176.517 0.300 . 1 . . . . 89 PRO C . 10321 1 966 . 1 1 89 89 PRO CA C 13 63.005 0.300 . 1 . . . . 89 PRO CA . 10321 1 967 . 1 1 89 89 PRO CB C 13 33.379 0.300 . 1 . . . . 89 PRO CB . 10321 1 968 . 1 1 89 89 PRO CD C 13 50.284 0.300 . 1 . . . . 89 PRO CD . 10321 1 969 . 1 1 89 89 PRO CG C 13 27.282 0.300 . 1 . . . . 89 PRO CG . 10321 1 970 . 1 1 90 90 PHE H H 1 9.503 0.030 . 1 . . . . 90 PHE H . 10321 1 971 . 1 1 90 90 PHE HA H 1 4.920 0.030 . 1 . . . . 90 PHE HA . 10321 1 972 . 1 1 90 90 PHE HB2 H 1 3.407 0.030 . 2 . . . . 90 PHE HB2 . 10321 1 973 . 1 1 90 90 PHE HB3 H 1 3.001 0.030 . 2 . . . . 90 PHE HB3 . 10321 1 974 . 1 1 90 90 PHE HD1 H 1 7.332 0.030 . 1 . . . . 90 PHE HD1 . 10321 1 975 . 1 1 90 90 PHE HD2 H 1 7.332 0.030 . 1 . . . . 90 PHE HD2 . 10321 1 976 . 1 1 90 90 PHE HE1 H 1 7.567 0.030 . 1 . . . . 90 PHE HE1 . 10321 1 977 . 1 1 90 90 PHE HE2 H 1 7.567 0.030 . 1 . . . . 90 PHE HE2 . 10321 1 978 . 1 1 90 90 PHE HZ H 1 7.300 0.030 . 1 . . . . 90 PHE HZ . 10321 1 979 . 1 1 90 90 PHE C C 13 174.735 0.300 . 1 . . . . 90 PHE C . 10321 1 980 . 1 1 90 90 PHE CA C 13 56.529 0.300 . 1 . . . . 90 PHE CA . 10321 1 981 . 1 1 90 90 PHE CB C 13 39.817 0.300 . 1 . . . . 90 PHE CB . 10321 1 982 . 1 1 90 90 PHE CD1 C 13 133.046 0.300 . 1 . . . . 90 PHE CD1 . 10321 1 983 . 1 1 90 90 PHE CD2 C 13 133.046 0.300 . 1 . . . . 90 PHE CD2 . 10321 1 984 . 1 1 90 90 PHE CE1 C 13 132.083 0.300 . 1 . . . . 90 PHE CE1 . 10321 1 985 . 1 1 90 90 PHE CE2 C 13 132.083 0.300 . 1 . . . . 90 PHE CE2 . 10321 1 986 . 1 1 90 90 PHE CZ C 13 129.620 0.300 . 1 . . . . 90 PHE CZ . 10321 1 987 . 1 1 90 90 PHE N N 15 118.699 0.300 . 1 . . . . 90 PHE N . 10321 1 988 . 1 1 91 91 GLU H H 1 7.645 0.030 . 1 . . . . 91 GLU H . 10321 1 989 . 1 1 91 91 GLU HA H 1 4.608 0.030 . 1 . . . . 91 GLU HA . 10321 1 990 . 1 1 91 91 GLU HB2 H 1 1.659 0.030 . 2 . . . . 91 GLU HB2 . 10321 1 991 . 1 1 91 91 GLU HB3 H 1 2.066 0.030 . 2 . . . . 91 GLU HB3 . 10321 1 992 . 1 1 91 91 GLU HG2 H 1 1.916 0.030 . 2 . . . . 91 GLU HG2 . 10321 1 993 . 1 1 91 91 GLU HG3 H 1 2.186 0.030 . 2 . . . . 91 GLU HG3 . 10321 1 994 . 1 1 91 91 GLU C C 13 174.310 0.300 . 1 . . . . 91 GLU C . 10321 1 995 . 1 1 91 91 GLU CA C 13 54.980 0.300 . 1 . . . . 91 GLU CA . 10321 1 996 . 1 1 91 91 GLU CB C 13 32.404 0.300 . 1 . . . . 91 GLU CB . 10321 1 997 . 1 1 91 91 GLU CG C 13 36.442 0.300 . 1 . . . . 91 GLU CG . 10321 1 998 . 1 1 91 91 GLU N N 15 124.552 0.300 . 1 . . . . 91 GLU N . 10321 1 999 . 1 1 92 92 LYS H H 1 8.312 0.030 . 1 . . . . 92 LYS H . 10321 1 1000 . 1 1 92 92 LYS HA H 1 4.348 0.030 . 1 . . . . 92 LYS HA . 10321 1 1001 . 1 1 92 92 LYS HB2 H 1 1.811 0.030 . 2 . . . . 92 LYS HB2 . 10321 1 1002 . 1 1 92 92 LYS HB3 H 1 1.599 0.030 . 2 . . . . 92 LYS HB3 . 10321 1 1003 . 1 1 92 92 LYS HD2 H 1 1.687 0.030 . 1 . . . . 92 LYS HD2 . 10321 1 1004 . 1 1 92 92 LYS HD3 H 1 1.687 0.030 . 1 . . . . 92 LYS HD3 . 10321 1 1005 . 1 1 92 92 LYS HE2 H 1 3.025 0.030 . 2 . . . . 92 LYS HE2 . 10321 1 1006 . 1 1 92 92 LYS HG2 H 1 1.358 0.030 . 1 . . . . 92 LYS HG2 . 10321 1 1007 . 1 1 92 92 LYS HG3 H 1 1.358 0.030 . 1 . . . . 92 LYS HG3 . 10321 1 1008 . 1 1 92 92 LYS C C 13 175.771 0.300 . 1 . . . . 92 LYS C . 10321 1 1009 . 1 1 92 92 LYS CA C 13 54.945 0.300 . 1 . . . . 92 LYS CA . 10321 1 1010 . 1 1 92 92 LYS CB C 13 34.377 0.300 . 1 . . . . 92 LYS CB . 10321 1 1011 . 1 1 92 92 LYS CD C 13 29.756 0.300 . 1 . . . . 92 LYS CD . 10321 1 1012 . 1 1 92 92 LYS CE C 13 41.890 0.300 . 1 . . . . 92 LYS CE . 10321 1 1013 . 1 1 92 92 LYS CG C 13 24.687 0.300 . 1 . . . . 92 LYS CG . 10321 1 1014 . 1 1 92 92 LYS N N 15 116.301 0.300 . 1 . . . . 92 LYS N . 10321 1 1015 . 1 1 93 93 GLY H H 1 8.829 0.030 . 1 . . . . 93 GLY H . 10321 1 1016 . 1 1 93 93 GLY HA2 H 1 4.626 0.030 . 2 . . . . 93 GLY HA2 . 10321 1 1017 . 1 1 93 93 GLY HA3 H 1 3.829 0.030 . 2 . . . . 93 GLY HA3 . 10321 1 1018 . 1 1 93 93 GLY C C 13 175.658 0.300 . 1 . . . . 93 GLY C . 10321 1 1019 . 1 1 93 93 GLY CA C 13 43.700 0.300 . 1 . . . . 93 GLY CA . 10321 1 1020 . 1 1 93 93 GLY N N 15 108.110 0.300 . 1 . . . . 93 GLY N . 10321 1 1021 . 1 1 94 94 LEU H H 1 8.947 0.030 . 1 . . . . 94 LEU H . 10321 1 1022 . 1 1 94 94 LEU HA H 1 4.463 0.030 . 1 . . . . 94 LEU HA . 10321 1 1023 . 1 1 94 94 LEU HB2 H 1 1.669 0.030 . 2 . . . . 94 LEU HB2 . 10321 1 1024 . 1 1 94 94 LEU HB3 H 1 1.462 0.030 . 2 . . . . 94 LEU HB3 . 10321 1 1025 . 1 1 94 94 LEU HD11 H 1 0.785 0.030 . 1 . . . . 94 LEU HD1 . 10321 1 1026 . 1 1 94 94 LEU HD12 H 1 0.785 0.030 . 1 . . . . 94 LEU HD1 . 10321 1 1027 . 1 1 94 94 LEU HD13 H 1 0.785 0.030 . 1 . . . . 94 LEU HD1 . 10321 1 1028 . 1 1 94 94 LEU HD21 H 1 0.783 0.030 . 1 . . . . 94 LEU HD2 . 10321 1 1029 . 1 1 94 94 LEU HD22 H 1 0.783 0.030 . 1 . . . . 94 LEU HD2 . 10321 1 1030 . 1 1 94 94 LEU HD23 H 1 0.783 0.030 . 1 . . . . 94 LEU HD2 . 10321 1 1031 . 1 1 94 94 LEU HG H 1 1.384 0.030 . 1 . . . . 94 LEU HG . 10321 1 1032 . 1 1 94 94 LEU C C 13 175.461 0.300 . 1 . . . . 94 LEU C . 10321 1 1033 . 1 1 94 94 LEU CA C 13 56.353 0.300 . 1 . . . . 94 LEU CA . 10321 1 1034 . 1 1 94 94 LEU CB C 13 41.853 0.300 . 1 . . . . 94 LEU CB . 10321 1 1035 . 1 1 94 94 LEU CD1 C 13 23.949 0.300 . 2 . . . . 94 LEU CD1 . 10321 1 1036 . 1 1 94 94 LEU CD2 C 13 24.801 0.300 . 2 . . . . 94 LEU CD2 . 10321 1 1037 . 1 1 94 94 LEU CG C 13 26.859 0.300 . 1 . . . . 94 LEU CG . 10321 1 1038 . 1 1 94 94 LEU N N 15 125.907 0.300 . 1 . . . . 94 LEU N . 10321 1 1039 . 1 1 95 95 HIS H H 1 9.654 0.030 . 1 . . . . 95 HIS H . 10321 1 1040 . 1 1 95 95 HIS HA H 1 4.656 0.030 . 1 . . . . 95 HIS HA . 10321 1 1041 . 1 1 95 95 HIS HB2 H 1 2.884 0.030 . 2 . . . . 95 HIS HB2 . 10321 1 1042 . 1 1 95 95 HIS HB3 H 1 2.652 0.030 . 2 . . . . 95 HIS HB3 . 10321 1 1043 . 1 1 95 95 HIS HD2 H 1 6.474 0.030 . 1 . . . . 95 HIS HD2 . 10321 1 1044 . 1 1 95 95 HIS HE1 H 1 7.136 0.030 . 1 . . . . 95 HIS HE1 . 10321 1 1045 . 1 1 95 95 HIS C C 13 173.689 0.300 . 1 . . . . 95 HIS C . 10321 1 1046 . 1 1 95 95 HIS CA C 13 55.789 0.300 . 1 . . . . 95 HIS CA . 10321 1 1047 . 1 1 95 95 HIS CB C 13 30.139 0.300 . 1 . . . . 95 HIS CB . 10321 1 1048 . 1 1 95 95 HIS CD2 C 13 128.217 0.300 . 1 . . . . 95 HIS CD2 . 10321 1 1049 . 1 1 95 95 HIS CE1 C 13 138.778 0.300 . 1 . . . . 95 HIS CE1 . 10321 1 1050 . 1 1 95 95 HIS N N 15 128.324 0.300 . 1 . . . . 95 HIS N . 10321 1 1051 . 1 1 96 96 VAL H H 1 8.395 0.030 . 1 . . . . 96 VAL H . 10321 1 1052 . 1 1 96 96 VAL HA H 1 4.804 0.030 . 1 . . . . 96 VAL HA . 10321 1 1053 . 1 1 96 96 VAL HB H 1 1.899 0.030 . 1 . . . . 96 VAL HB . 10321 1 1054 . 1 1 96 96 VAL HG11 H 1 0.793 0.030 . 1 . . . . 96 VAL HG1 . 10321 1 1055 . 1 1 96 96 VAL HG12 H 1 0.793 0.030 . 1 . . . . 96 VAL HG1 . 10321 1 1056 . 1 1 96 96 VAL HG13 H 1 0.793 0.030 . 1 . . . . 96 VAL HG1 . 10321 1 1057 . 1 1 96 96 VAL HG21 H 1 0.763 0.030 . 1 . . . . 96 VAL HG2 . 10321 1 1058 . 1 1 96 96 VAL HG22 H 1 0.763 0.030 . 1 . . . . 96 VAL HG2 . 10321 1 1059 . 1 1 96 96 VAL HG23 H 1 0.763 0.030 . 1 . . . . 96 VAL HG2 . 10321 1 1060 . 1 1 96 96 VAL C C 13 175.528 0.300 . 1 . . . . 96 VAL C . 10321 1 1061 . 1 1 96 96 VAL CA C 13 61.808 0.300 . 1 . . . . 96 VAL CA . 10321 1 1062 . 1 1 96 96 VAL CB C 13 33.666 0.300 . 1 . . . . 96 VAL CB . 10321 1 1063 . 1 1 96 96 VAL CG1 C 13 22.440 0.300 . 2 . . . . 96 VAL CG1 . 10321 1 1064 . 1 1 96 96 VAL CG2 C 13 20.832 0.300 . 2 . . . . 96 VAL CG2 . 10321 1 1065 . 1 1 96 96 VAL N N 15 121.273 0.300 . 1 . . . . 96 VAL N . 10321 1 1066 . 1 1 97 97 VAL H H 1 9.591 0.030 . 1 . . . . 97 VAL H . 10321 1 1067 . 1 1 97 97 VAL HA H 1 4.765 0.030 . 1 . . . . 97 VAL HA . 10321 1 1068 . 1 1 97 97 VAL HB H 1 2.049 0.030 . 1 . . . . 97 VAL HB . 10321 1 1069 . 1 1 97 97 VAL HG11 H 1 0.564 0.030 . 1 . . . . 97 VAL HG1 . 10321 1 1070 . 1 1 97 97 VAL HG12 H 1 0.564 0.030 . 1 . . . . 97 VAL HG1 . 10321 1 1071 . 1 1 97 97 VAL HG13 H 1 0.564 0.030 . 1 . . . . 97 VAL HG1 . 10321 1 1072 . 1 1 97 97 VAL HG21 H 1 0.578 0.030 . 1 . . . . 97 VAL HG2 . 10321 1 1073 . 1 1 97 97 VAL HG22 H 1 0.578 0.030 . 1 . . . . 97 VAL HG2 . 10321 1 1074 . 1 1 97 97 VAL HG23 H 1 0.578 0.030 . 1 . . . . 97 VAL HG2 . 10321 1 1075 . 1 1 97 97 VAL C C 13 175.028 0.300 . 1 . . . . 97 VAL C . 10321 1 1076 . 1 1 97 97 VAL CA C 13 61.017 0.300 . 1 . . . . 97 VAL CA . 10321 1 1077 . 1 1 97 97 VAL CB C 13 33.517 0.300 . 1 . . . . 97 VAL CB . 10321 1 1078 . 1 1 97 97 VAL CG1 C 13 19.845 0.300 . 2 . . . . 97 VAL CG1 . 10321 1 1079 . 1 1 97 97 VAL CG2 C 13 19.338 0.300 . 2 . . . . 97 VAL CG2 . 10321 1 1080 . 1 1 97 97 VAL N N 15 130.373 0.300 . 1 . . . . 97 VAL N . 10321 1 1081 . 1 1 98 98 GLU H H 1 9.258 0.030 . 1 . . . . 98 GLU H . 10321 1 1082 . 1 1 98 98 GLU HA H 1 4.858 0.030 . 1 . . . . 98 GLU HA . 10321 1 1083 . 1 1 98 98 GLU HB2 H 1 1.871 0.030 . 1 . . . . 98 GLU HB2 . 10321 1 1084 . 1 1 98 98 GLU HB3 H 1 1.871 0.030 . 1 . . . . 98 GLU HB3 . 10321 1 1085 . 1 1 98 98 GLU HG2 H 1 2.111 0.030 . 2 . . . . 98 GLU HG2 . 10321 1 1086 . 1 1 98 98 GLU HG3 H 1 2.005 0.030 . 2 . . . . 98 GLU HG3 . 10321 1 1087 . 1 1 98 98 GLU C C 13 176.062 0.300 . 1 . . . . 98 GLU C . 10321 1 1088 . 1 1 98 98 GLU CA C 13 54.822 0.300 . 1 . . . . 98 GLU CA . 10321 1 1089 . 1 1 98 98 GLU CB C 13 32.651 0.300 . 1 . . . . 98 GLU CB . 10321 1 1090 . 1 1 98 98 GLU CG C 13 37.070 0.300 . 1 . . . . 98 GLU CG . 10321 1 1091 . 1 1 98 98 GLU N N 15 128.028 0.300 . 1 . . . . 98 GLU N . 10321 1 1092 . 1 1 99 99 VAL H H 1 8.359 0.030 . 1 . . . . 99 VAL H . 10321 1 1093 . 1 1 99 99 VAL HA H 1 5.090 0.030 . 1 . . . . 99 VAL HA . 10321 1 1094 . 1 1 99 99 VAL HB H 1 1.939 0.030 . 1 . . . . 99 VAL HB . 10321 1 1095 . 1 1 99 99 VAL HG11 H 1 0.977 0.030 . 1 . . . . 99 VAL HG1 . 10321 1 1096 . 1 1 99 99 VAL HG12 H 1 0.977 0.030 . 1 . . . . 99 VAL HG1 . 10321 1 1097 . 1 1 99 99 VAL HG13 H 1 0.977 0.030 . 1 . . . . 99 VAL HG1 . 10321 1 1098 . 1 1 99 99 VAL HG21 H 1 0.971 0.030 . 1 . . . . 99 VAL HG2 . 10321 1 1099 . 1 1 99 99 VAL HG22 H 1 0.971 0.030 . 1 . . . . 99 VAL HG2 . 10321 1 1100 . 1 1 99 99 VAL HG23 H 1 0.971 0.030 . 1 . . . . 99 VAL HG2 . 10321 1 1101 . 1 1 99 99 VAL C C 13 174.768 0.300 . 1 . . . . 99 VAL C . 10321 1 1102 . 1 1 99 99 VAL CA C 13 60.849 0.300 . 1 . . . . 99 VAL CA . 10321 1 1103 . 1 1 99 99 VAL CB C 13 35.040 0.300 . 1 . . . . 99 VAL CB . 10321 1 1104 . 1 1 99 99 VAL CG1 C 13 22.008 0.300 . 2 . . . . 99 VAL CG1 . 10321 1 1105 . 1 1 99 99 VAL CG2 C 13 21.618 0.300 . 2 . . . . 99 VAL CG2 . 10321 1 1106 . 1 1 99 99 VAL N N 15 122.876 0.300 . 1 . . . . 99 VAL N . 10321 1 1107 . 1 1 100 100 THR H H 1 8.898 0.030 . 1 . . . . 100 THR H . 10321 1 1108 . 1 1 100 100 THR HA H 1 4.963 0.030 . 1 . . . . 100 THR HA . 10321 1 1109 . 1 1 100 100 THR HB H 1 3.546 0.030 . 1 . . . . 100 THR HB . 10321 1 1110 . 1 1 100 100 THR HG21 H 1 0.793 0.030 . 1 . . . . 100 THR HG2 . 10321 1 1111 . 1 1 100 100 THR HG22 H 1 0.793 0.030 . 1 . . . . 100 THR HG2 . 10321 1 1112 . 1 1 100 100 THR HG23 H 1 0.793 0.030 . 1 . . . . 100 THR HG2 . 10321 1 1113 . 1 1 100 100 THR C C 13 172.495 0.300 . 1 . . . . 100 THR C . 10321 1 1114 . 1 1 100 100 THR CA C 13 58.390 0.300 . 1 . . . . 100 THR CA . 10321 1 1115 . 1 1 100 100 THR CB C 13 72.624 0.300 . 1 . . . . 100 THR CB . 10321 1 1116 . 1 1 100 100 THR CG2 C 13 20.680 0.300 . 1 . . . . 100 THR CG2 . 10321 1 1117 . 1 1 100 100 THR N N 15 115.378 0.300 . 1 . . . . 100 THR N . 10321 1 1118 . 1 1 101 101 TYR H H 1 8.911 0.030 . 1 . . . . 101 TYR H . 10321 1 1119 . 1 1 101 101 TYR HA H 1 4.843 0.030 . 1 . . . . 101 TYR HA . 10321 1 1120 . 1 1 101 101 TYR HB2 H 1 2.912 0.030 . 2 . . . . 101 TYR HB2 . 10321 1 1121 . 1 1 101 101 TYR HB3 H 1 2.038 0.030 . 2 . . . . 101 TYR HB3 . 10321 1 1122 . 1 1 101 101 TYR HD1 H 1 6.663 0.030 . 1 . . . . 101 TYR HD1 . 10321 1 1123 . 1 1 101 101 TYR HD2 H 1 6.663 0.030 . 1 . . . . 101 TYR HD2 . 10321 1 1124 . 1 1 101 101 TYR HE1 H 1 6.386 0.030 . 1 . . . . 101 TYR HE1 . 10321 1 1125 . 1 1 101 101 TYR HE2 H 1 6.386 0.030 . 1 . . . . 101 TYR HE2 . 10321 1 1126 . 1 1 101 101 TYR C C 13 175.091 0.300 . 1 . . . . 101 TYR C . 10321 1 1127 . 1 1 101 101 TYR CA C 13 56.185 0.300 . 1 . . . . 101 TYR CA . 10321 1 1128 . 1 1 101 101 TYR CB C 13 41.160 0.300 . 1 . . . . 101 TYR CB . 10321 1 1129 . 1 1 101 101 TYR CD1 C 13 132.603 0.300 . 1 . . . . 101 TYR CD1 . 10321 1 1130 . 1 1 101 101 TYR CD2 C 13 132.603 0.300 . 1 . . . . 101 TYR CD2 . 10321 1 1131 . 1 1 101 101 TYR CE1 C 13 117.998 0.300 . 1 . . . . 101 TYR CE1 . 10321 1 1132 . 1 1 101 101 TYR CE2 C 13 117.998 0.300 . 1 . . . . 101 TYR CE2 . 10321 1 1133 . 1 1 101 101 TYR N N 15 122.444 0.300 . 1 . . . . 101 TYR N . 10321 1 1134 . 1 1 102 102 ASP H H 1 9.392 0.030 . 1 . . . . 102 ASP H . 10321 1 1135 . 1 1 102 102 ASP HA H 1 4.071 0.030 . 1 . . . . 102 ASP HA . 10321 1 1136 . 1 1 102 102 ASP HB2 H 1 2.844 0.030 . 1 . . . . 102 ASP HB2 . 10321 1 1137 . 1 1 102 102 ASP HB3 H 1 2.844 0.030 . 1 . . . . 102 ASP HB3 . 10321 1 1138 . 1 1 102 102 ASP C C 13 174.742 0.300 . 1 . . . . 102 ASP C . 10321 1 1139 . 1 1 102 102 ASP CA C 13 55.438 0.300 . 1 . . . . 102 ASP CA . 10321 1 1140 . 1 1 102 102 ASP CB C 13 38.056 0.300 . 1 . . . . 102 ASP CB . 10321 1 1141 . 1 1 102 102 ASP N N 15 130.156 0.300 . 1 . . . . 102 ASP N . 10321 1 1142 . 1 1 103 103 ASP H H 1 8.757 0.030 . 1 . . . . 103 ASP H . 10321 1 1143 . 1 1 103 103 ASP HA H 1 3.915 0.030 . 1 . . . . 103 ASP HA . 10321 1 1144 . 1 1 103 103 ASP HB2 H 1 3.039 0.030 . 2 . . . . 103 ASP HB2 . 10321 1 1145 . 1 1 103 103 ASP HB3 H 1 2.844 0.030 . 2 . . . . 103 ASP HB3 . 10321 1 1146 . 1 1 103 103 ASP C C 13 174.709 0.300 . 1 . . . . 103 ASP C . 10321 1 1147 . 1 1 103 103 ASP CA C 13 56.573 0.300 . 1 . . . . 103 ASP CA . 10321 1 1148 . 1 1 103 103 ASP CB C 13 39.521 0.300 . 1 . . . . 103 ASP CB . 10321 1 1149 . 1 1 103 103 ASP N N 15 105.167 0.300 . 1 . . . . 103 ASP N . 10321 1 1150 . 1 1 104 104 VAL H H 1 8.364 0.030 . 1 . . . . 104 VAL H . 10321 1 1151 . 1 1 104 104 VAL HA H 1 4.520 0.030 . 1 . . . . 104 VAL HA . 10321 1 1152 . 1 1 104 104 VAL HB H 1 2.321 0.030 . 1 . . . . 104 VAL HB . 10321 1 1153 . 1 1 104 104 VAL HG11 H 1 1.118 0.030 . 1 . . . . 104 VAL HG1 . 10321 1 1154 . 1 1 104 104 VAL HG12 H 1 1.118 0.030 . 1 . . . . 104 VAL HG1 . 10321 1 1155 . 1 1 104 104 VAL HG13 H 1 1.118 0.030 . 1 . . . . 104 VAL HG1 . 10321 1 1156 . 1 1 104 104 VAL HG21 H 1 1.066 0.030 . 1 . . . . 104 VAL HG2 . 10321 1 1157 . 1 1 104 104 VAL HG22 H 1 1.066 0.030 . 1 . . . . 104 VAL HG2 . 10321 1 1158 . 1 1 104 104 VAL HG23 H 1 1.066 0.030 . 1 . . . . 104 VAL HG2 . 10321 1 1159 . 1 1 104 104 VAL C C 13 174.335 0.300 . 1 . . . . 104 VAL C . 10321 1 1160 . 1 1 104 104 VAL CA C 13 59.959 0.300 . 1 . . . . 104 VAL CA . 10321 1 1161 . 1 1 104 104 VAL CB C 13 33.357 0.300 . 1 . . . . 104 VAL CB . 10321 1 1162 . 1 1 104 104 VAL CG1 C 13 21.116 0.300 . 2 . . . . 104 VAL CG1 . 10321 1 1163 . 1 1 104 104 VAL CG2 C 13 22.055 0.300 . 2 . . . . 104 VAL CG2 . 10321 1 1164 . 1 1 104 104 VAL N N 15 125.270 0.300 . 1 . . . . 104 VAL N . 10321 1 1165 . 1 1 105 105 PRO HA H 1 4.512 0.030 . 1 . . . . 105 PRO HA . 10321 1 1166 . 1 1 105 105 PRO HB2 H 1 1.864 0.030 . 2 . . . . 105 PRO HB2 . 10321 1 1167 . 1 1 105 105 PRO HB3 H 1 2.327 0.030 . 2 . . . . 105 PRO HB3 . 10321 1 1168 . 1 1 105 105 PRO HD2 H 1 3.686 0.030 . 2 . . . . 105 PRO HD2 . 10321 1 1169 . 1 1 105 105 PRO HD3 H 1 3.917 0.030 . 2 . . . . 105 PRO HD3 . 10321 1 1170 . 1 1 105 105 PRO HG2 H 1 1.833 0.030 . 2 . . . . 105 PRO HG2 . 10321 1 1171 . 1 1 105 105 PRO HG3 H 1 2.070 0.030 . 2 . . . . 105 PRO HG3 . 10321 1 1172 . 1 1 105 105 PRO C C 13 177.663 0.300 . 1 . . . . 105 PRO C . 10321 1 1173 . 1 1 105 105 PRO CA C 13 63.639 0.300 . 1 . . . . 105 PRO CA . 10321 1 1174 . 1 1 105 105 PRO CB C 13 32.532 0.300 . 1 . . . . 105 PRO CB . 10321 1 1175 . 1 1 105 105 PRO CD C 13 51.422 0.300 . 1 . . . . 105 PRO CD . 10321 1 1176 . 1 1 105 105 PRO CG C 13 27.979 0.300 . 1 . . . . 105 PRO CG . 10321 1 1177 . 1 1 106 106 ILE H H 1 7.812 0.030 . 1 . . . . 106 ILE H . 10321 1 1178 . 1 1 106 106 ILE HA H 1 4.421 0.030 . 1 . . . . 106 ILE HA . 10321 1 1179 . 1 1 106 106 ILE HB H 1 2.058 0.030 . 1 . . . . 106 ILE HB . 10321 1 1180 . 1 1 106 106 ILE HD11 H 1 0.887 0.030 . 1 . . . . 106 ILE HD1 . 10321 1 1181 . 1 1 106 106 ILE HD12 H 1 0.887 0.030 . 1 . . . . 106 ILE HD1 . 10321 1 1182 . 1 1 106 106 ILE HD13 H 1 0.887 0.030 . 1 . . . . 106 ILE HD1 . 10321 1 1183 . 1 1 106 106 ILE HG12 H 1 1.378 0.030 . 2 . . . . 106 ILE HG12 . 10321 1 1184 . 1 1 106 106 ILE HG13 H 1 1.527 0.030 . 2 . . . . 106 ILE HG13 . 10321 1 1185 . 1 1 106 106 ILE HG21 H 1 0.939 0.030 . 1 . . . . 106 ILE HG2 . 10321 1 1186 . 1 1 106 106 ILE HG22 H 1 0.939 0.030 . 1 . . . . 106 ILE HG2 . 10321 1 1187 . 1 1 106 106 ILE HG23 H 1 0.939 0.030 . 1 . . . . 106 ILE HG2 . 10321 1 1188 . 1 1 106 106 ILE C C 13 172.587 0.300 . 1 . . . . 106 ILE C . 10321 1 1189 . 1 1 106 106 ILE CA C 13 60.436 0.300 . 1 . . . . 106 ILE CA . 10321 1 1190 . 1 1 106 106 ILE CB C 13 35.781 0.300 . 1 . . . . 106 ILE CB . 10321 1 1191 . 1 1 106 106 ILE CD1 C 13 15.589 0.300 . 1 . . . . 106 ILE CD1 . 10321 1 1192 . 1 1 106 106 ILE CG1 C 13 25.604 0.300 . 1 . . . . 106 ILE CG1 . 10321 1 1193 . 1 1 106 106 ILE CG2 C 13 18.571 0.300 . 1 . . . . 106 ILE CG2 . 10321 1 1194 . 1 1 106 106 ILE N N 15 118.941 0.300 . 1 . . . . 106 ILE N . 10321 1 1195 . 1 1 107 107 PRO HA H 1 4.133 0.030 . 1 . . . . 107 PRO HA . 10321 1 1196 . 1 1 107 107 PRO HB2 H 1 2.251 0.030 . 2 . . . . 107 PRO HB2 . 10321 1 1197 . 1 1 107 107 PRO HB3 H 1 1.778 0.030 . 2 . . . . 107 PRO HB3 . 10321 1 1198 . 1 1 107 107 PRO HD2 H 1 3.426 0.030 . 2 . . . . 107 PRO HD2 . 10321 1 1199 . 1 1 107 107 PRO HD3 H 1 3.871 0.030 . 2 . . . . 107 PRO HD3 . 10321 1 1200 . 1 1 107 107 PRO HG2 H 1 2.267 0.030 . 2 . . . . 107 PRO HG2 . 10321 1 1201 . 1 1 107 107 PRO HG3 H 1 1.917 0.030 . 2 . . . . 107 PRO HG3 . 10321 1 1202 . 1 1 107 107 PRO C C 13 176.655 0.300 . 1 . . . . 107 PRO C . 10321 1 1203 . 1 1 107 107 PRO CA C 13 65.152 0.300 . 1 . . . . 107 PRO CA . 10321 1 1204 . 1 1 107 107 PRO CB C 13 31.251 0.300 . 1 . . . . 107 PRO CB . 10321 1 1205 . 1 1 107 107 PRO CD C 13 51.479 0.300 . 1 . . . . 107 PRO CD . 10321 1 1206 . 1 1 107 107 PRO CG C 13 29.450 0.300 . 1 . . . . 107 PRO CG . 10321 1 1207 . 1 1 108 108 ASN H H 1 8.503 0.030 . 1 . . . . 108 ASN H . 10321 1 1208 . 1 1 108 108 ASN HA H 1 3.836 0.030 . 1 . . . . 108 ASN HA . 10321 1 1209 . 1 1 108 108 ASN HB2 H 1 3.299 0.030 . 2 . . . . 108 ASN HB2 . 10321 1 1210 . 1 1 108 108 ASN HB3 H 1 2.631 0.030 . 2 . . . . 108 ASN HB3 . 10321 1 1211 . 1 1 108 108 ASN HD21 H 1 7.039 0.030 . 2 . . . . 108 ASN HD21 . 10321 1 1212 . 1 1 108 108 ASN HD22 H 1 7.542 0.030 . 2 . . . . 108 ASN HD22 . 10321 1 1213 . 1 1 108 108 ASN C C 13 171.631 0.300 . 1 . . . . 108 ASN C . 10321 1 1214 . 1 1 108 108 ASN CA C 13 55.308 0.300 . 1 . . . . 108 ASN CA . 10321 1 1215 . 1 1 108 108 ASN CB C 13 37.058 0.300 . 1 . . . . 108 ASN CB . 10321 1 1216 . 1 1 108 108 ASN N N 15 113.701 0.300 . 1 . . . . 108 ASN N . 10321 1 1217 . 1 1 108 108 ASN ND2 N 15 114.582 0.300 . 1 . . . . 108 ASN ND2 . 10321 1 1218 . 1 1 109 109 SER H H 1 7.210 0.030 . 1 . . . . 109 SER H . 10321 1 1219 . 1 1 109 109 SER HA H 1 3.741 0.030 . 1 . . . . 109 SER HA . 10321 1 1220 . 1 1 109 109 SER HB2 H 1 3.983 0.030 . 2 . . . . 109 SER HB2 . 10321 1 1221 . 1 1 109 109 SER HB3 H 1 3.655 0.030 . 2 . . . . 109 SER HB3 . 10321 1 1222 . 1 1 109 109 SER C C 13 174.893 0.300 . 1 . . . . 109 SER C . 10321 1 1223 . 1 1 109 109 SER CA C 13 55.699 0.300 . 1 . . . . 109 SER CA . 10321 1 1224 . 1 1 109 109 SER CB C 13 64.942 0.300 . 1 . . . . 109 SER CB . 10321 1 1225 . 1 1 109 109 SER N N 15 112.367 0.300 . 1 . . . . 109 SER N . 10321 1 1226 . 1 1 110 110 PRO HA H 1 5.187 0.030 . 1 . . . . 110 PRO HA . 10321 1 1227 . 1 1 110 110 PRO HB2 H 1 1.983 0.030 . 2 . . . . 110 PRO HB2 . 10321 1 1228 . 1 1 110 110 PRO HB3 H 1 1.707 0.030 . 2 . . . . 110 PRO HB3 . 10321 1 1229 . 1 1 110 110 PRO HD2 H 1 3.474 0.030 . 2 . . . . 110 PRO HD2 . 10321 1 1230 . 1 1 110 110 PRO HD3 H 1 3.410 0.030 . 2 . . . . 110 PRO HD3 . 10321 1 1231 . 1 1 110 110 PRO HG2 H 1 1.808 0.030 . 2 . . . . 110 PRO HG2 . 10321 1 1232 . 1 1 110 110 PRO HG3 H 1 1.712 0.030 . 2 . . . . 110 PRO HG3 . 10321 1 1233 . 1 1 110 110 PRO C C 13 175.099 0.300 . 1 . . . . 110 PRO C . 10321 1 1234 . 1 1 110 110 PRO CA C 13 61.897 0.300 . 1 . . . . 110 PRO CA . 10321 1 1235 . 1 1 110 110 PRO CB C 13 34.856 0.300 . 1 . . . . 110 PRO CB . 10321 1 1236 . 1 1 110 110 PRO CD C 13 50.514 0.300 . 1 . . . . 110 PRO CD . 10321 1 1237 . 1 1 110 110 PRO CG C 13 24.438 0.300 . 1 . . . . 110 PRO CG . 10321 1 1238 . 1 1 111 111 PHE H H 1 9.412 0.030 . 1 . . . . 111 PHE H . 10321 1 1239 . 1 1 111 111 PHE HA H 1 4.541 0.030 . 1 . . . . 111 PHE HA . 10321 1 1240 . 1 1 111 111 PHE HB2 H 1 2.940 0.030 . 2 . . . . 111 PHE HB2 . 10321 1 1241 . 1 1 111 111 PHE HB3 H 1 2.687 0.030 . 2 . . . . 111 PHE HB3 . 10321 1 1242 . 1 1 111 111 PHE HD1 H 1 7.188 0.030 . 1 . . . . 111 PHE HD1 . 10321 1 1243 . 1 1 111 111 PHE HD2 H 1 7.188 0.030 . 1 . . . . 111 PHE HD2 . 10321 1 1244 . 1 1 111 111 PHE HE1 H 1 6.981 0.030 . 1 . . . . 111 PHE HE1 . 10321 1 1245 . 1 1 111 111 PHE HE2 H 1 6.981 0.030 . 1 . . . . 111 PHE HE2 . 10321 1 1246 . 1 1 111 111 PHE HZ H 1 7.145 0.030 . 1 . . . . 111 PHE HZ . 10321 1 1247 . 1 1 111 111 PHE C C 13 175.634 0.300 . 1 . . . . 111 PHE C . 10321 1 1248 . 1 1 111 111 PHE CA C 13 56.581 0.300 . 1 . . . . 111 PHE CA . 10321 1 1249 . 1 1 111 111 PHE CB C 13 40.724 0.300 . 1 . . . . 111 PHE CB . 10321 1 1250 . 1 1 111 111 PHE CD1 C 13 132.566 0.300 . 1 . . . . 111 PHE CD1 . 10321 1 1251 . 1 1 111 111 PHE CD2 C 13 132.566 0.300 . 1 . . . . 111 PHE CD2 . 10321 1 1252 . 1 1 111 111 PHE CE1 C 13 130.050 0.300 . 1 . . . . 111 PHE CE1 . 10321 1 1253 . 1 1 111 111 PHE CE2 C 13 130.050 0.300 . 1 . . . . 111 PHE CE2 . 10321 1 1254 . 1 1 111 111 PHE CZ C 13 130.247 0.300 . 1 . . . . 111 PHE CZ . 10321 1 1255 . 1 1 111 111 PHE N N 15 121.634 0.300 . 1 . . . . 111 PHE N . 10321 1 1256 . 1 1 112 112 LYS H H 1 8.848 0.030 . 1 . . . . 112 LYS H . 10321 1 1257 . 1 1 112 112 LYS HA H 1 5.061 0.030 . 1 . . . . 112 LYS HA . 10321 1 1258 . 1 1 112 112 LYS HB2 H 1 1.791 0.030 . 2 . . . . 112 LYS HB2 . 10321 1 1259 . 1 1 112 112 LYS HB3 H 1 1.597 0.030 . 2 . . . . 112 LYS HB3 . 10321 1 1260 . 1 1 112 112 LYS HD2 H 1 1.598 0.030 . 1 . . . . 112 LYS HD2 . 10321 1 1261 . 1 1 112 112 LYS HD3 H 1 1.598 0.030 . 1 . . . . 112 LYS HD3 . 10321 1 1262 . 1 1 112 112 LYS HE2 H 1 2.896 0.030 . 2 . . . . 112 LYS HE2 . 10321 1 1263 . 1 1 112 112 LYS HG2 H 1 1.274 0.030 . 2 . . . . 112 LYS HG2 . 10321 1 1264 . 1 1 112 112 LYS HG3 H 1 1.509 0.030 . 2 . . . . 112 LYS HG3 . 10321 1 1265 . 1 1 112 112 LYS C C 13 176.235 0.300 . 1 . . . . 112 LYS C . 10321 1 1266 . 1 1 112 112 LYS CA C 13 55.594 0.300 . 1 . . . . 112 LYS CA . 10321 1 1267 . 1 1 112 112 LYS CB C 13 32.898 0.300 . 1 . . . . 112 LYS CB . 10321 1 1268 . 1 1 112 112 LYS CD C 13 29.092 0.300 . 1 . . . . 112 LYS CD . 10321 1 1269 . 1 1 112 112 LYS CE C 13 41.973 0.300 . 1 . . . . 112 LYS CE . 10321 1 1270 . 1 1 112 112 LYS CG C 13 25.434 0.300 . 1 . . . . 112 LYS CG . 10321 1 1271 . 1 1 112 112 LYS N N 15 122.760 0.300 . 1 . . . . 112 LYS N . 10321 1 1272 . 1 1 113 113 VAL H H 1 9.035 0.030 . 1 . . . . 113 VAL H . 10321 1 1273 . 1 1 113 113 VAL HA H 1 4.035 0.030 . 1 . . . . 113 VAL HA . 10321 1 1274 . 1 1 113 113 VAL HB H 1 1.636 0.030 . 1 . . . . 113 VAL HB . 10321 1 1275 . 1 1 113 113 VAL HG11 H 1 0.675 0.030 . 1 . . . . 113 VAL HG1 . 10321 1 1276 . 1 1 113 113 VAL HG12 H 1 0.675 0.030 . 1 . . . . 113 VAL HG1 . 10321 1 1277 . 1 1 113 113 VAL HG13 H 1 0.675 0.030 . 1 . . . . 113 VAL HG1 . 10321 1 1278 . 1 1 113 113 VAL HG21 H 1 0.695 0.030 . 1 . . . . 113 VAL HG2 . 10321 1 1279 . 1 1 113 113 VAL HG22 H 1 0.695 0.030 . 1 . . . . 113 VAL HG2 . 10321 1 1280 . 1 1 113 113 VAL HG23 H 1 0.695 0.030 . 1 . . . . 113 VAL HG2 . 10321 1 1281 . 1 1 113 113 VAL C C 13 174.095 0.300 . 1 . . . . 113 VAL C . 10321 1 1282 . 1 1 113 113 VAL CA C 13 61.755 0.300 . 1 . . . . 113 VAL CA . 10321 1 1283 . 1 1 113 113 VAL CB C 13 35.785 0.300 . 1 . . . . 113 VAL CB . 10321 1 1284 . 1 1 113 113 VAL CG1 C 13 20.164 0.300 . 2 . . . . 113 VAL CG1 . 10321 1 1285 . 1 1 113 113 VAL CG2 C 13 20.586 0.300 . 2 . . . . 113 VAL CG2 . 10321 1 1286 . 1 1 113 113 VAL N N 15 125.901 0.300 . 1 . . . . 113 VAL N . 10321 1 1287 . 1 1 114 114 ALA H H 1 8.761 0.030 . 1 . . . . 114 ALA H . 10321 1 1288 . 1 1 114 114 ALA HA H 1 4.451 0.030 . 1 . . . . 114 ALA HA . 10321 1 1289 . 1 1 114 114 ALA HB1 H 1 1.272 0.030 . 1 . . . . 114 ALA HB . 10321 1 1290 . 1 1 114 114 ALA HB2 H 1 1.272 0.030 . 1 . . . . 114 ALA HB . 10321 1 1291 . 1 1 114 114 ALA HB3 H 1 1.272 0.030 . 1 . . . . 114 ALA HB . 10321 1 1292 . 1 1 114 114 ALA C C 13 175.550 0.300 . 1 . . . . 114 ALA C . 10321 1 1293 . 1 1 114 114 ALA CA C 13 51.883 0.300 . 1 . . . . 114 ALA CA . 10321 1 1294 . 1 1 114 114 ALA CB C 13 18.717 0.300 . 1 . . . . 114 ALA CB . 10321 1 1295 . 1 1 114 114 ALA N N 15 131.948 0.300 . 1 . . . . 114 ALA N . 10321 1 1296 . 1 1 115 115 VAL H H 1 8.122 0.030 . 1 . . . . 115 VAL H . 10321 1 1297 . 1 1 115 115 VAL HA H 1 4.393 0.030 . 1 . . . . 115 VAL HA . 10321 1 1298 . 1 1 115 115 VAL HB H 1 2.263 0.030 . 1 . . . . 115 VAL HB . 10321 1 1299 . 1 1 115 115 VAL HG11 H 1 0.827 0.030 . 1 . . . . 115 VAL HG1 . 10321 1 1300 . 1 1 115 115 VAL HG12 H 1 0.827 0.030 . 1 . . . . 115 VAL HG1 . 10321 1 1301 . 1 1 115 115 VAL HG13 H 1 0.827 0.030 . 1 . . . . 115 VAL HG1 . 10321 1 1302 . 1 1 115 115 VAL HG21 H 1 0.360 0.030 . 1 . . . . 115 VAL HG2 . 10321 1 1303 . 1 1 115 115 VAL HG22 H 1 0.360 0.030 . 1 . . . . 115 VAL HG2 . 10321 1 1304 . 1 1 115 115 VAL HG23 H 1 0.360 0.030 . 1 . . . . 115 VAL HG2 . 10321 1 1305 . 1 1 115 115 VAL C C 13 178.134 0.300 . 1 . . . . 115 VAL C . 10321 1 1306 . 1 1 115 115 VAL CA C 13 61.751 0.300 . 1 . . . . 115 VAL CA . 10321 1 1307 . 1 1 115 115 VAL CB C 13 32.572 0.300 . 1 . . . . 115 VAL CB . 10321 1 1308 . 1 1 115 115 VAL CG1 C 13 21.353 0.300 . 2 . . . . 115 VAL CG1 . 10321 1 1309 . 1 1 115 115 VAL CG2 C 13 20.247 0.300 . 2 . . . . 115 VAL CG2 . 10321 1 1310 . 1 1 115 115 VAL N N 15 124.773 0.300 . 1 . . . . 115 VAL N . 10321 1 1311 . 1 1 116 116 THR H H 1 8.884 0.030 . 1 . . . . 116 THR H . 10321 1 1312 . 1 1 116 116 THR HA H 1 4.791 0.030 . 1 . . . . 116 THR HA . 10321 1 1313 . 1 1 116 116 THR HB H 1 4.329 0.030 . 1 . . . . 116 THR HB . 10321 1 1314 . 1 1 116 116 THR HG21 H 1 1.158 0.030 . 1 . . . . 116 THR HG2 . 10321 1 1315 . 1 1 116 116 THR HG22 H 1 1.158 0.030 . 1 . . . . 116 THR HG2 . 10321 1 1316 . 1 1 116 116 THR HG23 H 1 1.158 0.030 . 1 . . . . 116 THR HG2 . 10321 1 1317 . 1 1 116 116 THR C C 13 173.385 0.300 . 1 . . . . 116 THR C . 10321 1 1318 . 1 1 116 116 THR CA C 13 60.119 0.300 . 1 . . . . 116 THR CA . 10321 1 1319 . 1 1 116 116 THR CB C 13 70.953 0.300 . 1 . . . . 116 THR CB . 10321 1 1320 . 1 1 116 116 THR CG2 C 13 21.258 0.300 . 1 . . . . 116 THR CG2 . 10321 1 1321 . 1 1 116 116 THR N N 15 122.329 0.300 . 1 . . . . 116 THR N . 10321 1 1322 . 1 1 117 117 GLU H H 1 8.624 0.030 . 1 . . . . 117 GLU H . 10321 1 1323 . 1 1 117 117 GLU HA H 1 4.563 0.030 . 1 . . . . 117 GLU HA . 10321 1 1324 . 1 1 117 117 GLU HB2 H 1 2.020 0.030 . 2 . . . . 117 GLU HB2 . 10321 1 1325 . 1 1 117 117 GLU HB3 H 1 1.900 0.030 . 2 . . . . 117 GLU HB3 . 10321 1 1326 . 1 1 117 117 GLU HG2 H 1 2.259 0.030 . 1 . . . . 117 GLU HG2 . 10321 1 1327 . 1 1 117 117 GLU HG3 H 1 2.259 0.030 . 1 . . . . 117 GLU HG3 . 10321 1 1328 . 1 1 117 117 GLU C C 13 176.485 0.300 . 1 . . . . 117 GLU C . 10321 1 1329 . 1 1 117 117 GLU CA C 13 56.159 0.300 . 1 . . . . 117 GLU CA . 10321 1 1330 . 1 1 117 117 GLU CB C 13 30.983 0.300 . 1 . . . . 117 GLU CB . 10321 1 1331 . 1 1 117 117 GLU CG C 13 36.069 0.300 . 1 . . . . 117 GLU CG . 10321 1 1332 . 1 1 117 117 GLU N N 15 120.077 0.300 . 1 . . . . 117 GLU N . 10321 1 1333 . 1 1 118 118 GLY H H 1 8.540 0.030 . 1 . . . . 118 GLY H . 10321 1 1334 . 1 1 118 118 GLY HA2 H 1 3.386 0.030 . 2 . . . . 118 GLY HA2 . 10321 1 1335 . 1 1 118 118 GLY HA3 H 1 3.343 0.030 . 2 . . . . 118 GLY HA3 . 10321 1 1336 . 1 1 118 118 GLY C C 13 173.090 0.300 . 1 . . . . 118 GLY C . 10321 1 1337 . 1 1 118 118 GLY CA C 13 44.651 0.300 . 1 . . . . 118 GLY CA . 10321 1 1338 . 1 1 118 118 GLY N N 15 111.064 0.300 . 1 . . . . 118 GLY N . 10321 1 1339 . 1 1 119 119 CYS H H 1 7.974 0.030 . 1 . . . . 119 CYS H . 10321 1 1340 . 1 1 119 119 CYS HA H 1 4.323 0.030 . 1 . . . . 119 CYS HA . 10321 1 1341 . 1 1 119 119 CYS HB2 H 1 2.738 0.030 . 1 . . . . 119 CYS HB2 . 10321 1 1342 . 1 1 119 119 CYS HB3 H 1 2.738 0.030 . 1 . . . . 119 CYS HB3 . 10321 1 1343 . 1 1 119 119 CYS C C 13 174.259 0.300 . 1 . . . . 119 CYS C . 10321 1 1344 . 1 1 119 119 CYS CA C 13 57.796 0.300 . 1 . . . . 119 CYS CA . 10321 1 1345 . 1 1 119 119 CYS CB C 13 28.260 0.300 . 1 . . . . 119 CYS CB . 10321 1 1346 . 1 1 119 119 CYS N N 15 117.899 0.300 . 1 . . . . 119 CYS N . 10321 1 1347 . 1 1 120 120 GLN H H 1 8.508 0.030 . 1 . . . . 120 GLN H . 10321 1 1348 . 1 1 120 120 GLN HA H 1 4.517 0.030 . 1 . . . . 120 GLN HA . 10321 1 1349 . 1 1 120 120 GLN HB2 H 1 1.861 0.030 . 2 . . . . 120 GLN HB2 . 10321 1 1350 . 1 1 120 120 GLN HB3 H 1 2.031 0.030 . 2 . . . . 120 GLN HB3 . 10321 1 1351 . 1 1 120 120 GLN HE21 H 1 7.508 0.030 . 2 . . . . 120 GLN HE21 . 10321 1 1352 . 1 1 120 120 GLN HE22 H 1 6.847 0.030 . 2 . . . . 120 GLN HE22 . 10321 1 1353 . 1 1 120 120 GLN HG2 H 1 2.323 0.030 . 1 . . . . 120 GLN HG2 . 10321 1 1354 . 1 1 120 120 GLN HG3 H 1 2.323 0.030 . 1 . . . . 120 GLN HG3 . 10321 1 1355 . 1 1 120 120 GLN C C 13 174.092 0.300 . 1 . . . . 120 GLN C . 10321 1 1356 . 1 1 120 120 GLN CA C 13 53.716 0.300 . 1 . . . . 120 GLN CA . 10321 1 1357 . 1 1 120 120 GLN CB C 13 28.693 0.300 . 1 . . . . 120 GLN CB . 10321 1 1358 . 1 1 120 120 GLN CG C 13 33.359 0.300 . 1 . . . . 120 GLN CG . 10321 1 1359 . 1 1 120 120 GLN N N 15 123.880 0.300 . 1 . . . . 120 GLN N . 10321 1 1360 . 1 1 120 120 GLN NE2 N 15 112.795 0.300 . 1 . . . . 120 GLN NE2 . 10321 1 1361 . 1 1 121 121 PRO HA H 1 4.423 0.030 . 1 . . . . 121 PRO HA . 10321 1 1362 . 1 1 121 121 PRO HB2 H 1 1.893 0.030 . 1 . . . . 121 PRO HB2 . 10321 1 1363 . 1 1 121 121 PRO HB3 H 1 1.893 0.030 . 1 . . . . 121 PRO HB3 . 10321 1 1364 . 1 1 121 121 PRO HD2 H 1 3.609 0.030 . 2 . . . . 121 PRO HD2 . 10321 1 1365 . 1 1 121 121 PRO HD3 H 1 3.745 0.030 . 2 . . . . 121 PRO HD3 . 10321 1 1366 . 1 1 121 121 PRO HG2 H 1 1.972 0.030 . 1 . . . . 121 PRO HG2 . 10321 1 1367 . 1 1 121 121 PRO HG3 H 1 1.972 0.030 . 1 . . . . 121 PRO HG3 . 10321 1 1368 . 1 1 121 121 PRO CA C 13 63.203 0.300 . 1 . . . . 121 PRO CA . 10321 1 1369 . 1 1 121 121 PRO CB C 13 32.254 0.300 . 1 . . . . 121 PRO CB . 10321 1 1370 . 1 1 121 121 PRO CD C 13 50.658 0.300 . 1 . . . . 121 PRO CD . 10321 1 1371 . 1 1 121 121 PRO CG C 13 27.395 0.300 . 1 . . . . 121 PRO CG . 10321 1 1372 . 1 1 127 127 SER HA H 1 4.479 0.030 . 1 . . . . 127 SER HA . 10321 1 1373 . 1 1 127 127 SER HB2 H 1 3.869 0.030 . 2 . . . . 127 SER HB2 . 10321 1 1374 . 1 1 127 127 SER C C 13 173.945 0.300 . 1 . . . . 127 SER C . 10321 1 1375 . 1 1 127 127 SER CA C 13 58.394 0.300 . 1 . . . . 127 SER CA . 10321 1 1376 . 1 1 127 127 SER CB C 13 63.953 0.300 . 1 . . . . 127 SER CB . 10321 1 1377 . 1 1 128 128 GLY H H 1 8.042 0.030 . 1 . . . . 128 GLY H . 10321 1 1378 . 1 1 128 128 GLY HA2 H 1 3.752 0.030 . 2 . . . . 128 GLY HA2 . 10321 1 1379 . 1 1 128 128 GLY HA3 H 1 3.706 0.030 . 2 . . . . 128 GLY HA3 . 10321 1 1380 . 1 1 128 128 GLY C C 13 179.020 0.300 . 1 . . . . 128 GLY C . 10321 1 1381 . 1 1 128 128 GLY CA C 13 46.139 0.300 . 1 . . . . 128 GLY CA . 10321 1 1382 . 1 1 128 128 GLY N N 15 116.888 0.300 . 1 . . . . 128 GLY N . 10321 1 stop_ save_