data_10267 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 10267 _Entry.Title ; Solution structures of the PDZ domain of mus musculus PDZ domain-containing protein 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-12-15 _Entry.Accession_date 2008-12-15 _Entry.Last_release_date 2009-12-14 _Entry.Original_release_date 2009-12-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 M. Sato . . . 10267 2 S. Koshiba . . . 10267 3 S. Watanabe . . . 10267 4 T. Harada . . . 10267 5 T. Kigawa . . . 10267 6 S. Yokoyama . . . 10267 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' 10267 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 10267 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 481 10267 '15N chemical shifts' 120 10267 '1H chemical shifts' 773 10267 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-12-14 2008-12-15 original author . 10267 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2EDZ 'BMRB Entry Tracking System' 10267 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 10267 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structures of the PDZ domain of mus musculus PDZ domain-containing protein 1 ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Sato . . . 10267 1 2 S. Koshiba . . . 10267 1 3 S. Watanabe . . . 10267 1 4 T. Harada . . . 10267 1 5 T. Kigawa . . . 10267 1 6 S. Yokoyama . . . 10267 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 10267 _Assembly.ID 1 _Assembly.Name 'PDZ domain-containing protein 1' _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 'PDZ domain' 1 $entity_1 . . yes native no no . . . 10267 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 2EDZ . . . . . . 10267 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 10267 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PDZ domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGMASTFNPRECKLS KQEGQNYGFFLRIEKDTDGH LIRVIEEGSPAEKAGLLDGD RVLRINGVFVDKEEHAQVVE LVRKSGNSVTLLVLDGDSYE KAVKNQVDLKELDQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state '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 2015-11-26 loop_ _Entity_db_link.Ordinal _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 1 no PDB 2EDZ . "Solution Structures Of The Pdz Domain Of Mus Musculus Pdz Domain-Containing Protein 1" . . . . . 100.00 114 100.00 100.00 6.23e-75 . . . . 10267 1 2 no PDB 3NGH . "Molecular Analysis Of The Interaction Of The Hdl Receptor Sr-Bi With The Adaptor Protein Pdzk1" . . . . . 88.60 106 99.01 99.01 2.49e-63 . . . . 10267 1 3 no PDB 4F8K . "Molecular Analysis Of The Interaction Between The Prostacyclin Receptor And The First Pdz Domain Of Pdzk1" . . . . . 88.60 109 98.02 99.01 2.46e-62 . . . . 10267 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PDZ domain' . 10267 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 . 10267 1 2 . SER . 10267 1 3 . SER . 10267 1 4 . GLY . 10267 1 5 . SER . 10267 1 6 . SER . 10267 1 7 . GLY . 10267 1 8 . MET . 10267 1 9 . ALA . 10267 1 10 . SER . 10267 1 11 . THR . 10267 1 12 . PHE . 10267 1 13 . ASN . 10267 1 14 . PRO . 10267 1 15 . ARG . 10267 1 16 . GLU . 10267 1 17 . CYS . 10267 1 18 . LYS . 10267 1 19 . LEU . 10267 1 20 . SER . 10267 1 21 . LYS . 10267 1 22 . GLN . 10267 1 23 . GLU . 10267 1 24 . GLY . 10267 1 25 . GLN . 10267 1 26 . ASN . 10267 1 27 . TYR . 10267 1 28 . GLY . 10267 1 29 . PHE . 10267 1 30 . PHE . 10267 1 31 . LEU . 10267 1 32 . ARG . 10267 1 33 . ILE . 10267 1 34 . GLU . 10267 1 35 . LYS . 10267 1 36 . ASP . 10267 1 37 . THR . 10267 1 38 . ASP . 10267 1 39 . GLY . 10267 1 40 . HIS . 10267 1 41 . LEU . 10267 1 42 . ILE . 10267 1 43 . ARG . 10267 1 44 . VAL . 10267 1 45 . ILE . 10267 1 46 . GLU . 10267 1 47 . GLU . 10267 1 48 . GLY . 10267 1 49 . SER . 10267 1 50 . PRO . 10267 1 51 . ALA . 10267 1 52 . GLU . 10267 1 53 . LYS . 10267 1 54 . ALA . 10267 1 55 . GLY . 10267 1 56 . LEU . 10267 1 57 . LEU . 10267 1 58 . ASP . 10267 1 59 . GLY . 10267 1 60 . ASP . 10267 1 61 . ARG . 10267 1 62 . VAL . 10267 1 63 . LEU . 10267 1 64 . ARG . 10267 1 65 . ILE . 10267 1 66 . ASN . 10267 1 67 . GLY . 10267 1 68 . VAL . 10267 1 69 . PHE . 10267 1 70 . VAL . 10267 1 71 . ASP . 10267 1 72 . LYS . 10267 1 73 . GLU . 10267 1 74 . GLU . 10267 1 75 . HIS . 10267 1 76 . ALA . 10267 1 77 . GLN . 10267 1 78 . VAL . 10267 1 79 . VAL . 10267 1 80 . GLU . 10267 1 81 . LEU . 10267 1 82 . VAL . 10267 1 83 . ARG . 10267 1 84 . LYS . 10267 1 85 . SER . 10267 1 86 . GLY . 10267 1 87 . ASN . 10267 1 88 . SER . 10267 1 89 . VAL . 10267 1 90 . THR . 10267 1 91 . LEU . 10267 1 92 . LEU . 10267 1 93 . VAL . 10267 1 94 . LEU . 10267 1 95 . ASP . 10267 1 96 . GLY . 10267 1 97 . ASP . 10267 1 98 . SER . 10267 1 99 . TYR . 10267 1 100 . GLU . 10267 1 101 . LYS . 10267 1 102 . ALA . 10267 1 103 . VAL . 10267 1 104 . LYS . 10267 1 105 . ASN . 10267 1 106 . GLN . 10267 1 107 . VAL . 10267 1 108 . ASP . 10267 1 109 . LEU . 10267 1 110 . LYS . 10267 1 111 . GLU . 10267 1 112 . LEU . 10267 1 113 . ASP . 10267 1 114 . GLN . 10267 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 10267 1 . SER 2 2 10267 1 . SER 3 3 10267 1 . GLY 4 4 10267 1 . SER 5 5 10267 1 . SER 6 6 10267 1 . GLY 7 7 10267 1 . MET 8 8 10267 1 . ALA 9 9 10267 1 . SER 10 10 10267 1 . THR 11 11 10267 1 . PHE 12 12 10267 1 . ASN 13 13 10267 1 . PRO 14 14 10267 1 . ARG 15 15 10267 1 . GLU 16 16 10267 1 . CYS 17 17 10267 1 . LYS 18 18 10267 1 . LEU 19 19 10267 1 . SER 20 20 10267 1 . LYS 21 21 10267 1 . GLN 22 22 10267 1 . GLU 23 23 10267 1 . GLY 24 24 10267 1 . GLN 25 25 10267 1 . ASN 26 26 10267 1 . TYR 27 27 10267 1 . GLY 28 28 10267 1 . PHE 29 29 10267 1 . PHE 30 30 10267 1 . LEU 31 31 10267 1 . ARG 32 32 10267 1 . ILE 33 33 10267 1 . GLU 34 34 10267 1 . LYS 35 35 10267 1 . ASP 36 36 10267 1 . THR 37 37 10267 1 . ASP 38 38 10267 1 . GLY 39 39 10267 1 . HIS 40 40 10267 1 . LEU 41 41 10267 1 . ILE 42 42 10267 1 . ARG 43 43 10267 1 . VAL 44 44 10267 1 . ILE 45 45 10267 1 . GLU 46 46 10267 1 . GLU 47 47 10267 1 . GLY 48 48 10267 1 . SER 49 49 10267 1 . PRO 50 50 10267 1 . ALA 51 51 10267 1 . GLU 52 52 10267 1 . LYS 53 53 10267 1 . ALA 54 54 10267 1 . GLY 55 55 10267 1 . LEU 56 56 10267 1 . LEU 57 57 10267 1 . ASP 58 58 10267 1 . GLY 59 59 10267 1 . ASP 60 60 10267 1 . ARG 61 61 10267 1 . VAL 62 62 10267 1 . LEU 63 63 10267 1 . ARG 64 64 10267 1 . ILE 65 65 10267 1 . ASN 66 66 10267 1 . GLY 67 67 10267 1 . VAL 68 68 10267 1 . PHE 69 69 10267 1 . VAL 70 70 10267 1 . ASP 71 71 10267 1 . LYS 72 72 10267 1 . GLU 73 73 10267 1 . GLU 74 74 10267 1 . HIS 75 75 10267 1 . ALA 76 76 10267 1 . GLN 77 77 10267 1 . VAL 78 78 10267 1 . VAL 79 79 10267 1 . GLU 80 80 10267 1 . LEU 81 81 10267 1 . VAL 82 82 10267 1 . ARG 83 83 10267 1 . LYS 84 84 10267 1 . SER 85 85 10267 1 . GLY 86 86 10267 1 . ASN 87 87 10267 1 . SER 88 88 10267 1 . VAL 89 89 10267 1 . THR 90 90 10267 1 . LEU 91 91 10267 1 . LEU 92 92 10267 1 . VAL 93 93 10267 1 . LEU 94 94 10267 1 . ASP 95 95 10267 1 . GLY 96 96 10267 1 . ASP 97 97 10267 1 . SER 98 98 10267 1 . TYR 99 99 10267 1 . GLU 100 100 10267 1 . LYS 101 101 10267 1 . ALA 102 102 10267 1 . VAL 103 103 10267 1 . LYS 104 104 10267 1 . ASN 105 105 10267 1 . GLN 106 106 10267 1 . VAL 107 107 10267 1 . ASP 108 108 10267 1 . LEU 109 109 10267 1 . LYS 110 110 10267 1 . GLU 111 111 10267 1 . LEU 112 112 10267 1 . ASP 113 113 10267 1 . GLN 114 114 10267 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 10267 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 organism . 'Mus musculus' mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 10267 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 10267 _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 . . P060313-12 . . . . . . 10267 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 10267 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PDZ domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1 . . mM . . . . 10267 1 2 'd-Tris HCl' . . . . . . buffer 20 . . mM . . . . 10267 1 3 NaCl . . . . . . salt 100 . . mM . . . . 10267 1 4 d-DTT . . . . . . salt 1 . . mM . . . . 10267 1 5 NaN3 . . . . . . salt 0.02 . . % . . . . 10267 1 6 H2O . . . . . . solvent 90 . . % . . . . 10267 1 7 D2O . . . . . . solvent 10 . . % . . . . 10267 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 10267 _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 10267 1 pH 7.0 0.05 pH 10267 1 pressure 1 0.001 atm 10267 1 temperature 296 0.1 K 10267 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 10267 _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 . . 10267 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 10267 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 10267 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 10267 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 10267 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 10267 _Software.ID 3 _Software.Name NMRView _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 10267 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10267 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 10267 _Software.ID 4 _Software.Name Kujira _Software.Version 0.932 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 10267 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 10267 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 10267 _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.' . . 10267 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 10267 5 'structure solution' 10267 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 10267 _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 10267 _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 . . . 10267 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 10267 _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 . . . . . . . . . . . . . . . . 10267 1 2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10267 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 10267 _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 . . . . . . . . . 10267 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10267 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10267 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 10267 _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 10267 1 2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10267 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 6 6 SER HA H 1 4.483 0.030 . 1 . . . . 6 SER HA . 10267 1 2 . 1 1 6 6 SER HB2 H 1 3.889 0.030 . 1 . . . . 6 SER HB2 . 10267 1 3 . 1 1 6 6 SER HB3 H 1 3.889 0.030 . 1 . . . . 6 SER HB3 . 10267 1 4 . 1 1 6 6 SER C C 13 175.167 0.300 . 1 . . . . 6 SER C . 10267 1 5 . 1 1 6 6 SER CA C 13 58.759 0.300 . 1 . . . . 6 SER CA . 10267 1 6 . 1 1 6 6 SER CB C 13 64.069 0.300 . 1 . . . . 6 SER CB . 10267 1 7 . 1 1 7 7 GLY H H 1 8.431 0.030 . 1 . . . . 7 GLY H . 10267 1 8 . 1 1 7 7 GLY HA2 H 1 3.973 0.030 . 1 . . . . 7 GLY HA2 . 10267 1 9 . 1 1 7 7 GLY HA3 H 1 3.973 0.030 . 1 . . . . 7 GLY HA3 . 10267 1 10 . 1 1 7 7 GLY C C 13 174.570 0.300 . 1 . . . . 7 GLY C . 10267 1 11 . 1 1 7 7 GLY CA C 13 45.483 0.300 . 1 . . . . 7 GLY CA . 10267 1 12 . 1 1 7 7 GLY N N 15 110.640 0.300 . 1 . . . . 7 GLY N . 10267 1 13 . 1 1 8 8 MET H H 1 8.239 0.030 . 1 . . . . 8 MET H . 10267 1 14 . 1 1 8 8 MET HA H 1 4.386 0.030 . 1 . . . . 8 MET HA . 10267 1 15 . 1 1 8 8 MET HB2 H 1 2.020 0.030 . 1 . . . . 8 MET HB2 . 10267 1 16 . 1 1 8 8 MET HB3 H 1 2.020 0.030 . 1 . . . . 8 MET HB3 . 10267 1 17 . 1 1 8 8 MET HE1 H 1 2.068 0.030 . 1 . . . . 8 MET HE . 10267 1 18 . 1 1 8 8 MET HE2 H 1 2.068 0.030 . 1 . . . . 8 MET HE . 10267 1 19 . 1 1 8 8 MET HE3 H 1 2.068 0.030 . 1 . . . . 8 MET HE . 10267 1 20 . 1 1 8 8 MET HG2 H 1 2.552 0.030 . 2 . . . . 8 MET HG2 . 10267 1 21 . 1 1 8 8 MET HG3 H 1 2.490 0.030 . 2 . . . . 8 MET HG3 . 10267 1 22 . 1 1 8 8 MET C C 13 176.621 0.300 . 1 . . . . 8 MET C . 10267 1 23 . 1 1 8 8 MET CA C 13 55.991 0.300 . 1 . . . . 8 MET CA . 10267 1 24 . 1 1 8 8 MET CB C 13 32.986 0.300 . 1 . . . . 8 MET CB . 10267 1 25 . 1 1 8 8 MET CE C 13 16.967 0.300 . 1 . . . . 8 MET CE . 10267 1 26 . 1 1 8 8 MET CG C 13 31.979 0.300 . 1 . . . . 8 MET CG . 10267 1 27 . 1 1 8 8 MET N N 15 120.219 0.300 . 1 . . . . 8 MET N . 10267 1 28 . 1 1 9 9 ALA H H 1 8.435 0.030 . 1 . . . . 9 ALA H . 10267 1 29 . 1 1 9 9 ALA HA H 1 4.182 0.030 . 1 . . . . 9 ALA HA . 10267 1 30 . 1 1 9 9 ALA HB1 H 1 1.383 0.030 . 1 . . . . 9 ALA HB . 10267 1 31 . 1 1 9 9 ALA HB2 H 1 1.383 0.030 . 1 . . . . 9 ALA HB . 10267 1 32 . 1 1 9 9 ALA HB3 H 1 1.383 0.030 . 1 . . . . 9 ALA HB . 10267 1 33 . 1 1 9 9 ALA C C 13 177.951 0.300 . 1 . . . . 9 ALA C . 10267 1 34 . 1 1 9 9 ALA CA C 13 53.399 0.300 . 1 . . . . 9 ALA CA . 10267 1 35 . 1 1 9 9 ALA CB C 13 18.955 0.300 . 1 . . . . 9 ALA CB . 10267 1 36 . 1 1 9 9 ALA N N 15 124.459 0.300 . 1 . . . . 9 ALA N . 10267 1 37 . 1 1 10 10 SER H H 1 8.100 0.030 . 1 . . . . 10 SER H . 10267 1 38 . 1 1 10 10 SER HA H 1 4.391 0.030 . 1 . . . . 10 SER HA . 10267 1 39 . 1 1 10 10 SER HB2 H 1 3.843 0.030 . 2 . . . . 10 SER HB2 . 10267 1 40 . 1 1 10 10 SER HB3 H 1 3.788 0.030 . 2 . . . . 10 SER HB3 . 10267 1 41 . 1 1 10 10 SER C C 13 174.467 0.300 . 1 . . . . 10 SER C . 10267 1 42 . 1 1 10 10 SER CA C 13 58.709 0.300 . 1 . . . . 10 SER CA . 10267 1 43 . 1 1 10 10 SER CB C 13 63.778 0.300 . 1 . . . . 10 SER CB . 10267 1 44 . 1 1 10 10 SER N N 15 113.881 0.300 . 1 . . . . 10 SER N . 10267 1 45 . 1 1 11 11 THR H H 1 7.821 0.030 . 1 . . . . 11 THR H . 10267 1 46 . 1 1 11 11 THR HA H 1 4.191 0.030 . 1 . . . . 11 THR HA . 10267 1 47 . 1 1 11 11 THR HB H 1 3.998 0.030 . 1 . . . . 11 THR HB . 10267 1 48 . 1 1 11 11 THR HG21 H 1 0.984 0.030 . 1 . . . . 11 THR HG2 . 10267 1 49 . 1 1 11 11 THR HG22 H 1 0.984 0.030 . 1 . . . . 11 THR HG2 . 10267 1 50 . 1 1 11 11 THR HG23 H 1 0.984 0.030 . 1 . . . . 11 THR HG2 . 10267 1 51 . 1 1 11 11 THR C C 13 173.610 0.300 . 1 . . . . 11 THR C . 10267 1 52 . 1 1 11 11 THR CA C 13 61.936 0.300 . 1 . . . . 11 THR CA . 10267 1 53 . 1 1 11 11 THR CB C 13 69.713 0.300 . 1 . . . . 11 THR CB . 10267 1 54 . 1 1 11 11 THR CG2 C 13 21.479 0.300 . 1 . . . . 11 THR CG2 . 10267 1 55 . 1 1 11 11 THR N N 15 114.471 0.300 . 1 . . . . 11 THR N . 10267 1 56 . 1 1 12 12 PHE H H 1 7.946 0.030 . 1 . . . . 12 PHE H . 10267 1 57 . 1 1 12 12 PHE HA H 1 4.769 0.030 . 1 . . . . 12 PHE HA . 10267 1 58 . 1 1 12 12 PHE HB2 H 1 2.975 0.030 . 2 . . . . 12 PHE HB2 . 10267 1 59 . 1 1 12 12 PHE HB3 H 1 2.907 0.030 . 2 . . . . 12 PHE HB3 . 10267 1 60 . 1 1 12 12 PHE HD1 H 1 7.201 0.030 . 1 . . . . 12 PHE HD1 . 10267 1 61 . 1 1 12 12 PHE HD2 H 1 7.201 0.030 . 1 . . . . 12 PHE HD2 . 10267 1 62 . 1 1 12 12 PHE HE1 H 1 7.291 0.030 . 1 . . . . 12 PHE HE1 . 10267 1 63 . 1 1 12 12 PHE HE2 H 1 7.291 0.030 . 1 . . . . 12 PHE HE2 . 10267 1 64 . 1 1 12 12 PHE HZ H 1 7.016 0.030 . 1 . . . . 12 PHE HZ . 10267 1 65 . 1 1 12 12 PHE C C 13 174.211 0.300 . 1 . . . . 12 PHE C . 10267 1 66 . 1 1 12 12 PHE CA C 13 56.644 0.300 . 1 . . . . 12 PHE CA . 10267 1 67 . 1 1 12 12 PHE CB C 13 40.609 0.300 . 1 . . . . 12 PHE CB . 10267 1 68 . 1 1 12 12 PHE CD1 C 13 131.706 0.300 . 1 . . . . 12 PHE CD1 . 10267 1 69 . 1 1 12 12 PHE CD2 C 13 131.706 0.300 . 1 . . . . 12 PHE CD2 . 10267 1 70 . 1 1 12 12 PHE CE1 C 13 131.507 0.300 . 1 . . . . 12 PHE CE1 . 10267 1 71 . 1 1 12 12 PHE CE2 C 13 131.507 0.300 . 1 . . . . 12 PHE CE2 . 10267 1 72 . 1 1 12 12 PHE CZ C 13 128.786 0.300 . 1 . . . . 12 PHE CZ . 10267 1 73 . 1 1 12 12 PHE N N 15 120.763 0.300 . 1 . . . . 12 PHE N . 10267 1 74 . 1 1 13 13 ASN H H 1 9.004 0.030 . 1 . . . . 13 ASN H . 10267 1 75 . 1 1 13 13 ASN HA H 1 5.366 0.030 . 1 . . . . 13 ASN HA . 10267 1 76 . 1 1 13 13 ASN HB2 H 1 2.810 0.030 . 2 . . . . 13 ASN HB2 . 10267 1 77 . 1 1 13 13 ASN HB3 H 1 2.666 0.030 . 2 . . . . 13 ASN HB3 . 10267 1 78 . 1 1 13 13 ASN HD21 H 1 7.564 0.030 . 2 . . . . 13 ASN HD21 . 10267 1 79 . 1 1 13 13 ASN HD22 H 1 6.776 0.030 . 2 . . . . 13 ASN HD22 . 10267 1 80 . 1 1 13 13 ASN C C 13 172.158 0.300 . 1 . . . . 13 ASN C . 10267 1 81 . 1 1 13 13 ASN CA C 13 50.988 0.300 . 1 . . . . 13 ASN CA . 10267 1 82 . 1 1 13 13 ASN CB C 13 39.942 0.300 . 1 . . . . 13 ASN CB . 10267 1 83 . 1 1 13 13 ASN N N 15 119.973 0.300 . 1 . . . . 13 ASN N . 10267 1 84 . 1 1 13 13 ASN ND2 N 15 112.812 0.300 . 1 . . . . 13 ASN ND2 . 10267 1 85 . 1 1 14 14 PRO HA H 1 4.945 0.030 . 1 . . . . 14 PRO HA . 10267 1 86 . 1 1 14 14 PRO HB2 H 1 1.920 0.030 . 2 . . . . 14 PRO HB2 . 10267 1 87 . 1 1 14 14 PRO HB3 H 1 1.820 0.030 . 2 . . . . 14 PRO HB3 . 10267 1 88 . 1 1 14 14 PRO HD2 H 1 3.981 0.030 . 2 . . . . 14 PRO HD2 . 10267 1 89 . 1 1 14 14 PRO HD3 H 1 3.490 0.030 . 2 . . . . 14 PRO HD3 . 10267 1 90 . 1 1 14 14 PRO HG2 H 1 1.919 0.030 . 2 . . . . 14 PRO HG2 . 10267 1 91 . 1 1 14 14 PRO HG3 H 1 1.678 0.030 . 2 . . . . 14 PRO HG3 . 10267 1 92 . 1 1 14 14 PRO C C 13 174.901 0.300 . 1 . . . . 14 PRO C . 10267 1 93 . 1 1 14 14 PRO CA C 13 63.096 0.300 . 1 . . . . 14 PRO CA . 10267 1 94 . 1 1 14 14 PRO CB C 13 32.739 0.300 . 1 . . . . 14 PRO CB . 10267 1 95 . 1 1 14 14 PRO CD C 13 50.705 0.300 . 1 . . . . 14 PRO CD . 10267 1 96 . 1 1 14 14 PRO CG C 13 27.299 0.300 . 1 . . . . 14 PRO CG . 10267 1 97 . 1 1 15 15 ARG H H 1 8.908 0.030 . 1 . . . . 15 ARG H . 10267 1 98 . 1 1 15 15 ARG HA H 1 4.626 0.030 . 1 . . . . 15 ARG HA . 10267 1 99 . 1 1 15 15 ARG HB2 H 1 1.697 0.030 . 2 . . . . 15 ARG HB2 . 10267 1 100 . 1 1 15 15 ARG HB3 H 1 1.332 0.030 . 2 . . . . 15 ARG HB3 . 10267 1 101 . 1 1 15 15 ARG HD2 H 1 3.279 0.030 . 2 . . . . 15 ARG HD2 . 10267 1 102 . 1 1 15 15 ARG HD3 H 1 2.986 0.030 . 2 . . . . 15 ARG HD3 . 10267 1 103 . 1 1 15 15 ARG HE H 1 6.808 0.030 . 1 . . . . 15 ARG HE . 10267 1 104 . 1 1 15 15 ARG HG2 H 1 1.668 0.030 . 2 . . . . 15 ARG HG2 . 10267 1 105 . 1 1 15 15 ARG HG3 H 1 1.464 0.030 . 2 . . . . 15 ARG HG3 . 10267 1 106 . 1 1 15 15 ARG C C 13 174.432 0.300 . 1 . . . . 15 ARG C . 10267 1 107 . 1 1 15 15 ARG CA C 13 54.827 0.300 . 1 . . . . 15 ARG CA . 10267 1 108 . 1 1 15 15 ARG CB C 13 32.439 0.300 . 1 . . . . 15 ARG CB . 10267 1 109 . 1 1 15 15 ARG CD C 13 43.288 0.300 . 1 . . . . 15 ARG CD . 10267 1 110 . 1 1 15 15 ARG CG C 13 27.938 0.300 . 1 . . . . 15 ARG CG . 10267 1 111 . 1 1 15 15 ARG N N 15 118.947 0.300 . 1 . . . . 15 ARG N . 10267 1 112 . 1 1 15 15 ARG NE N 15 82.667 0.300 . 1 . . . . 15 ARG NE . 10267 1 113 . 1 1 16 16 GLU H H 1 8.838 0.030 . 1 . . . . 16 GLU H . 10267 1 114 . 1 1 16 16 GLU HA H 1 4.876 0.030 . 1 . . . . 16 GLU HA . 10267 1 115 . 1 1 16 16 GLU HB2 H 1 2.095 0.030 . 2 . . . . 16 GLU HB2 . 10267 1 116 . 1 1 16 16 GLU HB3 H 1 1.730 0.030 . 2 . . . . 16 GLU HB3 . 10267 1 117 . 1 1 16 16 GLU HG2 H 1 1.860 0.030 . 2 . . . . 16 GLU HG2 . 10267 1 118 . 1 1 16 16 GLU HG3 H 1 1.760 0.030 . 2 . . . . 16 GLU HG3 . 10267 1 119 . 1 1 16 16 GLU C C 13 175.767 0.300 . 1 . . . . 16 GLU C . 10267 1 120 . 1 1 16 16 GLU CA C 13 55.621 0.300 . 1 . . . . 16 GLU CA . 10267 1 121 . 1 1 16 16 GLU CB C 13 31.093 0.300 . 1 . . . . 16 GLU CB . 10267 1 122 . 1 1 16 16 GLU CG C 13 38.652 0.300 . 1 . . . . 16 GLU CG . 10267 1 123 . 1 1 16 16 GLU N N 15 125.316 0.300 . 1 . . . . 16 GLU N . 10267 1 124 . 1 1 17 17 CYS H H 1 9.327 0.030 . 1 . . . . 17 CYS H . 10267 1 125 . 1 1 17 17 CYS HA H 1 4.804 0.030 . 1 . . . . 17 CYS HA . 10267 1 126 . 1 1 17 17 CYS HB2 H 1 2.431 0.030 . 1 . . . . 17 CYS HB2 . 10267 1 127 . 1 1 17 17 CYS HB3 H 1 2.431 0.030 . 1 . . . . 17 CYS HB3 . 10267 1 128 . 1 1 17 17 CYS C C 13 172.973 0.300 . 1 . . . . 17 CYS C . 10267 1 129 . 1 1 17 17 CYS CA C 13 57.930 0.300 . 1 . . . . 17 CYS CA . 10267 1 130 . 1 1 17 17 CYS CB C 13 30.105 0.300 . 1 . . . . 17 CYS CB . 10267 1 131 . 1 1 17 17 CYS N N 15 127.909 0.300 . 1 . . . . 17 CYS N . 10267 1 132 . 1 1 18 18 LYS H H 1 9.022 0.030 . 1 . . . . 18 LYS H . 10267 1 133 . 1 1 18 18 LYS HA H 1 4.769 0.030 . 1 . . . . 18 LYS HA . 10267 1 134 . 1 1 18 18 LYS HB2 H 1 1.787 0.030 . 2 . . . . 18 LYS HB2 . 10267 1 135 . 1 1 18 18 LYS HB3 H 1 1.701 0.030 . 2 . . . . 18 LYS HB3 . 10267 1 136 . 1 1 18 18 LYS HD2 H 1 1.626 0.030 . 1 . . . . 18 LYS HD2 . 10267 1 137 . 1 1 18 18 LYS HD3 H 1 1.626 0.030 . 1 . . . . 18 LYS HD3 . 10267 1 138 . 1 1 18 18 LYS HE2 H 1 2.878 0.030 . 1 . . . . 18 LYS HE2 . 10267 1 139 . 1 1 18 18 LYS HE3 H 1 2.878 0.030 . 1 . . . . 18 LYS HE3 . 10267 1 140 . 1 1 18 18 LYS HG2 H 1 1.328 0.030 . 1 . . . . 18 LYS HG2 . 10267 1 141 . 1 1 18 18 LYS HG3 H 1 1.328 0.030 . 1 . . . . 18 LYS HG3 . 10267 1 142 . 1 1 18 18 LYS C C 13 174.586 0.300 . 1 . . . . 18 LYS C . 10267 1 143 . 1 1 18 18 LYS CA C 13 55.956 0.300 . 1 . . . . 18 LYS CA . 10267 1 144 . 1 1 18 18 LYS CB C 13 32.203 0.300 . 1 . . . . 18 LYS CB . 10267 1 145 . 1 1 18 18 LYS CD C 13 29.372 0.300 . 1 . . . . 18 LYS CD . 10267 1 146 . 1 1 18 18 LYS CE C 13 42.063 0.300 . 1 . . . . 18 LYS CE . 10267 1 147 . 1 1 18 18 LYS CG C 13 25.197 0.300 . 1 . . . . 18 LYS CG . 10267 1 148 . 1 1 18 18 LYS N N 15 127.039 0.300 . 1 . . . . 18 LYS N . 10267 1 149 . 1 1 19 19 LEU H H 1 8.784 0.030 . 1 . . . . 19 LEU H . 10267 1 150 . 1 1 19 19 LEU HA H 1 4.852 0.030 . 1 . . . . 19 LEU HA . 10267 1 151 . 1 1 19 19 LEU HB2 H 1 1.473 0.030 . 1 . . . . 19 LEU HB2 . 10267 1 152 . 1 1 19 19 LEU HB3 H 1 1.473 0.030 . 1 . . . . 19 LEU HB3 . 10267 1 153 . 1 1 19 19 LEU HD11 H 1 0.494 0.030 . 1 . . . . 19 LEU HD1 . 10267 1 154 . 1 1 19 19 LEU HD12 H 1 0.494 0.030 . 1 . . . . 19 LEU HD1 . 10267 1 155 . 1 1 19 19 LEU HD13 H 1 0.494 0.030 . 1 . . . . 19 LEU HD1 . 10267 1 156 . 1 1 19 19 LEU HD21 H 1 0.472 0.030 . 1 . . . . 19 LEU HD2 . 10267 1 157 . 1 1 19 19 LEU HD22 H 1 0.472 0.030 . 1 . . . . 19 LEU HD2 . 10267 1 158 . 1 1 19 19 LEU HD23 H 1 0.472 0.030 . 1 . . . . 19 LEU HD2 . 10267 1 159 . 1 1 19 19 LEU HG H 1 1.462 0.030 . 1 . . . . 19 LEU HG . 10267 1 160 . 1 1 19 19 LEU C C 13 176.862 0.300 . 1 . . . . 19 LEU C . 10267 1 161 . 1 1 19 19 LEU CA C 13 55.391 0.300 . 1 . . . . 19 LEU CA . 10267 1 162 . 1 1 19 19 LEU CB C 13 44.442 0.300 . 1 . . . . 19 LEU CB . 10267 1 163 . 1 1 19 19 LEU CD1 C 13 25.341 0.300 . 2 . . . . 19 LEU CD1 . 10267 1 164 . 1 1 19 19 LEU CD2 C 13 27.147 0.300 . 2 . . . . 19 LEU CD2 . 10267 1 165 . 1 1 19 19 LEU CG C 13 30.038 0.300 . 1 . . . . 19 LEU CG . 10267 1 166 . 1 1 19 19 LEU N N 15 126.311 0.300 . 1 . . . . 19 LEU N . 10267 1 167 . 1 1 20 20 SER H H 1 8.215 0.030 . 1 . . . . 20 SER H . 10267 1 168 . 1 1 20 20 SER HA H 1 5.461 0.030 . 1 . . . . 20 SER HA . 10267 1 169 . 1 1 20 20 SER HB2 H 1 3.842 0.030 . 2 . . . . 20 SER HB2 . 10267 1 170 . 1 1 20 20 SER HB3 H 1 3.790 0.030 . 2 . . . . 20 SER HB3 . 10267 1 171 . 1 1 20 20 SER C C 13 171.960 0.300 . 1 . . . . 20 SER C . 10267 1 172 . 1 1 20 20 SER CA C 13 57.525 0.300 . 1 . . . . 20 SER CA . 10267 1 173 . 1 1 20 20 SER CB C 13 65.794 0.300 . 1 . . . . 20 SER CB . 10267 1 174 . 1 1 20 20 SER N N 15 115.113 0.300 . 1 . . . . 20 SER N . 10267 1 175 . 1 1 21 21 LYS H H 1 9.001 0.030 . 1 . . . . 21 LYS H . 10267 1 176 . 1 1 21 21 LYS HA H 1 4.887 0.030 . 1 . . . . 21 LYS HA . 10267 1 177 . 1 1 21 21 LYS HB2 H 1 1.492 0.030 . 2 . . . . 21 LYS HB2 . 10267 1 178 . 1 1 21 21 LYS HB3 H 1 1.204 0.030 . 2 . . . . 21 LYS HB3 . 10267 1 179 . 1 1 21 21 LYS HD2 H 1 0.644 0.030 . 2 . . . . 21 LYS HD2 . 10267 1 180 . 1 1 21 21 LYS HD3 H 1 -0.567 0.030 . 2 . . . . 21 LYS HD3 . 10267 1 181 . 1 1 21 21 LYS HE2 H 1 2.565 0.030 . 2 . . . . 21 LYS HE2 . 10267 1 182 . 1 1 21 21 LYS HE3 H 1 2.402 0.030 . 2 . . . . 21 LYS HE3 . 10267 1 183 . 1 1 21 21 LYS HG2 H 1 0.883 0.030 . 2 . . . . 21 LYS HG2 . 10267 1 184 . 1 1 21 21 LYS HG3 H 1 0.800 0.030 . 2 . . . . 21 LYS HG3 . 10267 1 185 . 1 1 21 21 LYS C C 13 174.133 0.300 . 1 . . . . 21 LYS C . 10267 1 186 . 1 1 21 21 LYS CA C 13 53.840 0.300 . 1 . . . . 21 LYS CA . 10267 1 187 . 1 1 21 21 LYS CB C 13 36.553 0.300 . 1 . . . . 21 LYS CB . 10267 1 188 . 1 1 21 21 LYS CD C 13 28.082 0.300 . 1 . . . . 21 LYS CD . 10267 1 189 . 1 1 21 21 LYS CE C 13 42.730 0.300 . 1 . . . . 21 LYS CE . 10267 1 190 . 1 1 21 21 LYS CG C 13 21.695 0.300 . 1 . . . . 21 LYS CG . 10267 1 191 . 1 1 21 21 LYS N N 15 120.938 0.300 . 1 . . . . 21 LYS N . 10267 1 192 . 1 1 22 22 GLN H H 1 8.201 0.030 . 1 . . . . 22 GLN H . 10267 1 193 . 1 1 22 22 GLN HA H 1 4.448 0.030 . 1 . . . . 22 GLN HA . 10267 1 194 . 1 1 22 22 GLN HB2 H 1 2.125 0.030 . 2 . . . . 22 GLN HB2 . 10267 1 195 . 1 1 22 22 GLN HB3 H 1 1.656 0.030 . 2 . . . . 22 GLN HB3 . 10267 1 196 . 1 1 22 22 GLN HE21 H 1 7.535 0.030 . 2 . . . . 22 GLN HE21 . 10267 1 197 . 1 1 22 22 GLN HE22 H 1 6.846 0.030 . 2 . . . . 22 GLN HE22 . 10267 1 198 . 1 1 22 22 GLN HG2 H 1 2.350 0.030 . 1 . . . . 22 GLN HG2 . 10267 1 199 . 1 1 22 22 GLN HG3 H 1 2.350 0.030 . 1 . . . . 22 GLN HG3 . 10267 1 200 . 1 1 22 22 GLN C C 13 176.372 0.300 . 1 . . . . 22 GLN C . 10267 1 201 . 1 1 22 22 GLN CA C 13 53.658 0.300 . 1 . . . . 22 GLN CA . 10267 1 202 . 1 1 22 22 GLN CB C 13 30.473 0.300 . 1 . . . . 22 GLN CB . 10267 1 203 . 1 1 22 22 GLN CG C 13 33.901 0.300 . 1 . . . . 22 GLN CG . 10267 1 204 . 1 1 22 22 GLN N N 15 116.816 0.300 . 1 . . . . 22 GLN N . 10267 1 205 . 1 1 22 22 GLN NE2 N 15 112.924 0.300 . 1 . . . . 22 GLN NE2 . 10267 1 206 . 1 1 23 23 GLU H H 1 8.624 0.030 . 1 . . . . 23 GLU H . 10267 1 207 . 1 1 23 23 GLU HA H 1 4.056 0.030 . 1 . . . . 23 GLU HA . 10267 1 208 . 1 1 23 23 GLU HB2 H 1 2.021 0.030 . 2 . . . . 23 GLU HB2 . 10267 1 209 . 1 1 23 23 GLU HB3 H 1 1.851 0.030 . 2 . . . . 23 GLU HB3 . 10267 1 210 . 1 1 23 23 GLU HG2 H 1 2.338 0.030 . 2 . . . . 23 GLU HG2 . 10267 1 211 . 1 1 23 23 GLU HG3 H 1 2.140 0.030 . 2 . . . . 23 GLU HG3 . 10267 1 212 . 1 1 23 23 GLU C C 13 177.778 0.300 . 1 . . . . 23 GLU C . 10267 1 213 . 1 1 23 23 GLU CA C 13 58.001 0.300 . 1 . . . . 23 GLU CA . 10267 1 214 . 1 1 23 23 GLU CB C 13 29.237 0.300 . 1 . . . . 23 GLU CB . 10267 1 215 . 1 1 23 23 GLU CG C 13 35.045 0.300 . 1 . . . . 23 GLU CG . 10267 1 216 . 1 1 23 23 GLU N N 15 122.364 0.300 . 1 . . . . 23 GLU N . 10267 1 217 . 1 1 24 24 GLY H H 1 8.962 0.030 . 1 . . . . 24 GLY H . 10267 1 218 . 1 1 24 24 GLY HA2 H 1 4.139 0.030 . 2 . . . . 24 GLY HA2 . 10267 1 219 . 1 1 24 24 GLY HA3 H 1 3.711 0.030 . 2 . . . . 24 GLY HA3 . 10267 1 220 . 1 1 24 24 GLY C C 13 173.857 0.300 . 1 . . . . 24 GLY C . 10267 1 221 . 1 1 24 24 GLY CA C 13 45.288 0.300 . 1 . . . . 24 GLY CA . 10267 1 222 . 1 1 24 24 GLY N N 15 113.942 0.300 . 1 . . . . 24 GLY N . 10267 1 223 . 1 1 25 25 GLN H H 1 7.643 0.030 . 1 . . . . 25 GLN H . 10267 1 224 . 1 1 25 25 GLN HA H 1 4.488 0.030 . 1 . . . . 25 GLN HA . 10267 1 225 . 1 1 25 25 GLN HB2 H 1 2.187 0.030 . 2 . . . . 25 GLN HB2 . 10267 1 226 . 1 1 25 25 GLN HB3 H 1 1.921 0.030 . 2 . . . . 25 GLN HB3 . 10267 1 227 . 1 1 25 25 GLN HE21 H 1 7.722 0.030 . 2 . . . . 25 GLN HE21 . 10267 1 228 . 1 1 25 25 GLN HE22 H 1 6.750 0.030 . 2 . . . . 25 GLN HE22 . 10267 1 229 . 1 1 25 25 GLN HG2 H 1 2.457 0.030 . 2 . . . . 25 GLN HG2 . 10267 1 230 . 1 1 25 25 GLN HG3 H 1 2.356 0.030 . 2 . . . . 25 GLN HG3 . 10267 1 231 . 1 1 25 25 GLN C C 13 174.727 0.300 . 1 . . . . 25 GLN C . 10267 1 232 . 1 1 25 25 GLN CA C 13 54.052 0.300 . 1 . . . . 25 GLN CA . 10267 1 233 . 1 1 25 25 GLN CB C 13 30.843 0.300 . 1 . . . . 25 GLN CB . 10267 1 234 . 1 1 25 25 GLN CG C 13 33.727 0.300 . 1 . . . . 25 GLN CG . 10267 1 235 . 1 1 25 25 GLN N N 15 119.538 0.300 . 1 . . . . 25 GLN N . 10267 1 236 . 1 1 25 25 GLN NE2 N 15 111.937 0.300 . 1 . . . . 25 GLN NE2 . 10267 1 237 . 1 1 26 26 ASN H H 1 8.625 0.030 . 1 . . . . 26 ASN H . 10267 1 238 . 1 1 26 26 ASN HA H 1 4.862 0.030 . 1 . . . . 26 ASN HA . 10267 1 239 . 1 1 26 26 ASN HB2 H 1 2.914 0.030 . 2 . . . . 26 ASN HB2 . 10267 1 240 . 1 1 26 26 ASN HB3 H 1 2.752 0.030 . 2 . . . . 26 ASN HB3 . 10267 1 241 . 1 1 26 26 ASN HD21 H 1 7.716 0.030 . 2 . . . . 26 ASN HD21 . 10267 1 242 . 1 1 26 26 ASN HD22 H 1 7.071 0.030 . 2 . . . . 26 ASN HD22 . 10267 1 243 . 1 1 26 26 ASN C C 13 176.261 0.300 . 1 . . . . 26 ASN C . 10267 1 244 . 1 1 26 26 ASN CA C 13 51.812 0.300 . 1 . . . . 26 ASN CA . 10267 1 245 . 1 1 26 26 ASN CB C 13 40.403 0.300 . 1 . . . . 26 ASN CB . 10267 1 246 . 1 1 26 26 ASN N N 15 120.047 0.300 . 1 . . . . 26 ASN N . 10267 1 247 . 1 1 26 26 ASN ND2 N 15 114.968 0.300 . 1 . . . . 26 ASN ND2 . 10267 1 248 . 1 1 27 27 TYR HA H 1 4.152 0.030 . 1 . . . . 27 TYR HA . 10267 1 249 . 1 1 27 27 TYR HB2 H 1 3.070 0.030 . 2 . . . . 27 TYR HB2 . 10267 1 250 . 1 1 27 27 TYR HB3 H 1 2.701 0.030 . 2 . . . . 27 TYR HB3 . 10267 1 251 . 1 1 27 27 TYR HD1 H 1 6.934 0.030 . 1 . . . . 27 TYR HD1 . 10267 1 252 . 1 1 27 27 TYR HD2 H 1 6.934 0.030 . 1 . . . . 27 TYR HD2 . 10267 1 253 . 1 1 27 27 TYR HE1 H 1 6.506 0.030 . 1 . . . . 27 TYR HE1 . 10267 1 254 . 1 1 27 27 TYR HE2 H 1 6.506 0.030 . 1 . . . . 27 TYR HE2 . 10267 1 255 . 1 1 27 27 TYR C C 13 176.731 0.300 . 1 . . . . 27 TYR C . 10267 1 256 . 1 1 27 27 TYR CA C 13 62.462 0.300 . 1 . . . . 27 TYR CA . 10267 1 257 . 1 1 27 27 TYR CB C 13 40.240 0.300 . 1 . . . . 27 TYR CB . 10267 1 258 . 1 1 27 27 TYR CD1 C 13 132.460 0.300 . 1 . . . . 27 TYR CD1 . 10267 1 259 . 1 1 27 27 TYR CD2 C 13 132.460 0.300 . 1 . . . . 27 TYR CD2 . 10267 1 260 . 1 1 27 27 TYR CE1 C 13 118.930 0.300 . 1 . . . . 27 TYR CE1 . 10267 1 261 . 1 1 27 27 TYR CE2 C 13 118.930 0.300 . 1 . . . . 27 TYR CE2 . 10267 1 262 . 1 1 27 27 TYR N N 15 121.761 0.300 . 1 . . . . 27 TYR N . 10267 1 263 . 1 1 28 28 GLY H H 1 8.285 0.030 . 1 . . . . 28 GLY H . 10267 1 264 . 1 1 28 28 GLY HA2 H 1 4.490 0.030 . 2 . . . . 28 GLY HA2 . 10267 1 265 . 1 1 28 28 GLY HA3 H 1 3.759 0.030 . 2 . . . . 28 GLY HA3 . 10267 1 266 . 1 1 28 28 GLY C C 13 172.198 0.300 . 1 . . . . 28 GLY C . 10267 1 267 . 1 1 28 28 GLY CA C 13 46.139 0.300 . 1 . . . . 28 GLY CA . 10267 1 268 . 1 1 28 28 GLY N N 15 103.567 0.300 . 1 . . . . 28 GLY N . 10267 1 269 . 1 1 29 29 PHE H H 1 6.878 0.030 . 1 . . . . 29 PHE H . 10267 1 270 . 1 1 29 29 PHE HA H 1 5.179 0.030 . 1 . . . . 29 PHE HA . 10267 1 271 . 1 1 29 29 PHE HB2 H 1 2.820 0.030 . 2 . . . . 29 PHE HB2 . 10267 1 272 . 1 1 29 29 PHE HB3 H 1 2.617 0.030 . 2 . . . . 29 PHE HB3 . 10267 1 273 . 1 1 29 29 PHE HD1 H 1 6.816 0.030 . 1 . . . . 29 PHE HD1 . 10267 1 274 . 1 1 29 29 PHE HD2 H 1 6.816 0.030 . 1 . . . . 29 PHE HD2 . 10267 1 275 . 1 1 29 29 PHE HE1 H 1 6.700 0.030 . 1 . . . . 29 PHE HE1 . 10267 1 276 . 1 1 29 29 PHE HE2 H 1 6.700 0.030 . 1 . . . . 29 PHE HE2 . 10267 1 277 . 1 1 29 29 PHE HZ H 1 6.705 0.030 . 1 . . . . 29 PHE HZ . 10267 1 278 . 1 1 29 29 PHE C C 13 172.840 0.300 . 1 . . . . 29 PHE C . 10267 1 279 . 1 1 29 29 PHE CA C 13 55.262 0.300 . 1 . . . . 29 PHE CA . 10267 1 280 . 1 1 29 29 PHE CB C 13 41.779 0.300 . 1 . . . . 29 PHE CB . 10267 1 281 . 1 1 29 29 PHE CD1 C 13 132.211 0.300 . 1 . . . . 29 PHE CD1 . 10267 1 282 . 1 1 29 29 PHE CD2 C 13 132.211 0.300 . 1 . . . . 29 PHE CD2 . 10267 1 283 . 1 1 29 29 PHE CE1 C 13 130.160 0.300 . 1 . . . . 29 PHE CE1 . 10267 1 284 . 1 1 29 29 PHE CE2 C 13 130.160 0.300 . 1 . . . . 29 PHE CE2 . 10267 1 285 . 1 1 29 29 PHE CZ C 13 127.966 0.300 . 1 . . . . 29 PHE CZ . 10267 1 286 . 1 1 29 29 PHE N N 15 111.027 0.300 . 1 . . . . 29 PHE N . 10267 1 287 . 1 1 30 30 PHE H H 1 8.806 0.030 . 1 . . . . 30 PHE H . 10267 1 288 . 1 1 30 30 PHE HA H 1 4.923 0.030 . 1 . . . . 30 PHE HA . 10267 1 289 . 1 1 30 30 PHE HB2 H 1 3.029 0.030 . 2 . . . . 30 PHE HB2 . 10267 1 290 . 1 1 30 30 PHE HB3 H 1 2.722 0.030 . 2 . . . . 30 PHE HB3 . 10267 1 291 . 1 1 30 30 PHE HD1 H 1 7.249 0.030 . 1 . . . . 30 PHE HD1 . 10267 1 292 . 1 1 30 30 PHE HD2 H 1 7.249 0.030 . 1 . . . . 30 PHE HD2 . 10267 1 293 . 1 1 30 30 PHE HE1 H 1 7.354 0.030 . 1 . . . . 30 PHE HE1 . 10267 1 294 . 1 1 30 30 PHE HE2 H 1 7.354 0.030 . 1 . . . . 30 PHE HE2 . 10267 1 295 . 1 1 30 30 PHE HZ H 1 7.292 0.030 . 1 . . . . 30 PHE HZ . 10267 1 296 . 1 1 30 30 PHE C C 13 174.501 0.300 . 1 . . . . 30 PHE C . 10267 1 297 . 1 1 30 30 PHE CA C 13 55.356 0.300 . 1 . . . . 30 PHE CA . 10267 1 298 . 1 1 30 30 PHE CB C 13 41.681 0.300 . 1 . . . . 30 PHE CB . 10267 1 299 . 1 1 30 30 PHE CD1 C 13 131.357 0.300 . 1 . . . . 30 PHE CD1 . 10267 1 300 . 1 1 30 30 PHE CD2 C 13 131.357 0.300 . 1 . . . . 30 PHE CD2 . 10267 1 301 . 1 1 30 30 PHE CE1 C 13 131.454 0.300 . 1 . . . . 30 PHE CE1 . 10267 1 302 . 1 1 30 30 PHE CE2 C 13 131.454 0.300 . 1 . . . . 30 PHE CE2 . 10267 1 303 . 1 1 30 30 PHE CZ C 13 129.897 0.300 . 1 . . . . 30 PHE CZ . 10267 1 304 . 1 1 30 30 PHE N N 15 118.710 0.300 . 1 . . . . 30 PHE N . 10267 1 305 . 1 1 31 31 LEU H H 1 8.441 0.030 . 1 . . . . 31 LEU H . 10267 1 306 . 1 1 31 31 LEU HA H 1 5.447 0.030 . 1 . . . . 31 LEU HA . 10267 1 307 . 1 1 31 31 LEU HB2 H 1 1.670 0.030 . 2 . . . . 31 LEU HB2 . 10267 1 308 . 1 1 31 31 LEU HB3 H 1 1.611 0.030 . 2 . . . . 31 LEU HB3 . 10267 1 309 . 1 1 31 31 LEU HD11 H 1 0.800 0.030 . 1 . . . . 31 LEU HD1 . 10267 1 310 . 1 1 31 31 LEU HD12 H 1 0.800 0.030 . 1 . . . . 31 LEU HD1 . 10267 1 311 . 1 1 31 31 LEU HD13 H 1 0.800 0.030 . 1 . . . . 31 LEU HD1 . 10267 1 312 . 1 1 31 31 LEU HD21 H 1 0.797 0.030 . 1 . . . . 31 LEU HD2 . 10267 1 313 . 1 1 31 31 LEU HD22 H 1 0.797 0.030 . 1 . . . . 31 LEU HD2 . 10267 1 314 . 1 1 31 31 LEU HD23 H 1 0.797 0.030 . 1 . . . . 31 LEU HD2 . 10267 1 315 . 1 1 31 31 LEU HG H 1 1.685 0.030 . 1 . . . . 31 LEU HG . 10267 1 316 . 1 1 31 31 LEU C C 13 177.306 0.300 . 1 . . . . 31 LEU C . 10267 1 317 . 1 1 31 31 LEU CA C 13 53.610 0.300 . 1 . . . . 31 LEU CA . 10267 1 318 . 1 1 31 31 LEU CB C 13 43.696 0.300 . 1 . . . . 31 LEU CB . 10267 1 319 . 1 1 31 31 LEU CD1 C 13 26.020 0.300 . 2 . . . . 31 LEU CD1 . 10267 1 320 . 1 1 31 31 LEU CD2 C 13 25.636 0.300 . 2 . . . . 31 LEU CD2 . 10267 1 321 . 1 1 31 31 LEU CG C 13 27.457 0.300 . 1 . . . . 31 LEU CG . 10267 1 322 . 1 1 31 31 LEU N N 15 123.765 0.300 . 1 . . . . 31 LEU N . 10267 1 323 . 1 1 32 32 ARG H H 1 9.381 0.030 . 1 . . . . 32 ARG H . 10267 1 324 . 1 1 32 32 ARG HA H 1 4.840 0.030 . 1 . . . . 32 ARG HA . 10267 1 325 . 1 1 32 32 ARG HB2 H 1 1.739 0.030 . 2 . . . . 32 ARG HB2 . 10267 1 326 . 1 1 32 32 ARG HB3 H 1 1.563 0.030 . 2 . . . . 32 ARG HB3 . 10267 1 327 . 1 1 32 32 ARG HD2 H 1 3.239 0.030 . 2 . . . . 32 ARG HD2 . 10267 1 328 . 1 1 32 32 ARG HD3 H 1 3.128 0.030 . 2 . . . . 32 ARG HD3 . 10267 1 329 . 1 1 32 32 ARG HG2 H 1 1.549 0.030 . 2 . . . . 32 ARG HG2 . 10267 1 330 . 1 1 32 32 ARG HG3 H 1 1.431 0.030 . 2 . . . . 32 ARG HG3 . 10267 1 331 . 1 1 32 32 ARG C C 13 175.155 0.300 . 1 . . . . 32 ARG C . 10267 1 332 . 1 1 32 32 ARG CA C 13 54.210 0.300 . 1 . . . . 32 ARG CA . 10267 1 333 . 1 1 32 32 ARG CB C 13 35.087 0.300 . 1 . . . . 32 ARG CB . 10267 1 334 . 1 1 32 32 ARG CD C 13 43.579 0.300 . 1 . . . . 32 ARG CD . 10267 1 335 . 1 1 32 32 ARG CG C 13 26.805 0.300 . 1 . . . . 32 ARG CG . 10267 1 336 . 1 1 32 32 ARG N N 15 123.160 0.300 . 1 . . . . 32 ARG N . 10267 1 337 . 1 1 33 33 ILE H H 1 7.891 0.030 . 1 . . . . 33 ILE H . 10267 1 338 . 1 1 33 33 ILE HA H 1 4.495 0.030 . 1 . . . . 33 ILE HA . 10267 1 339 . 1 1 33 33 ILE HB H 1 1.639 0.030 . 1 . . . . 33 ILE HB . 10267 1 340 . 1 1 33 33 ILE HD11 H 1 0.775 0.030 . 1 . . . . 33 ILE HD1 . 10267 1 341 . 1 1 33 33 ILE HD12 H 1 0.775 0.030 . 1 . . . . 33 ILE HD1 . 10267 1 342 . 1 1 33 33 ILE HD13 H 1 0.775 0.030 . 1 . . . . 33 ILE HD1 . 10267 1 343 . 1 1 33 33 ILE HG12 H 1 1.267 0.030 . 2 . . . . 33 ILE HG12 . 10267 1 344 . 1 1 33 33 ILE HG13 H 1 0.766 0.030 . 2 . . . . 33 ILE HG13 . 10267 1 345 . 1 1 33 33 ILE HG21 H 1 0.762 0.030 . 1 . . . . 33 ILE HG2 . 10267 1 346 . 1 1 33 33 ILE HG22 H 1 0.762 0.030 . 1 . . . . 33 ILE HG2 . 10267 1 347 . 1 1 33 33 ILE HG23 H 1 0.762 0.030 . 1 . . . . 33 ILE HG2 . 10267 1 348 . 1 1 33 33 ILE C C 13 175.850 0.300 . 1 . . . . 33 ILE C . 10267 1 349 . 1 1 33 33 ILE CA C 13 59.641 0.300 . 1 . . . . 33 ILE CA . 10267 1 350 . 1 1 33 33 ILE CB C 13 39.538 0.300 . 1 . . . . 33 ILE CB . 10267 1 351 . 1 1 33 33 ILE CD1 C 13 12.910 0.300 . 1 . . . . 33 ILE CD1 . 10267 1 352 . 1 1 33 33 ILE CG1 C 13 26.320 0.300 . 1 . . . . 33 ILE CG1 . 10267 1 353 . 1 1 33 33 ILE CG2 C 13 17.622 0.300 . 1 . . . . 33 ILE CG2 . 10267 1 354 . 1 1 33 33 ILE N N 15 118.924 0.300 . 1 . . . . 33 ILE N . 10267 1 355 . 1 1 34 34 GLU H H 1 8.971 0.030 . 1 . . . . 34 GLU H . 10267 1 356 . 1 1 34 34 GLU HA H 1 4.578 0.030 . 1 . . . . 34 GLU HA . 10267 1 357 . 1 1 34 34 GLU HB2 H 1 1.924 0.030 . 2 . . . . 34 GLU HB2 . 10267 1 358 . 1 1 34 34 GLU HB3 H 1 1.563 0.030 . 2 . . . . 34 GLU HB3 . 10267 1 359 . 1 1 34 34 GLU HG2 H 1 2.253 0.030 . 2 . . . . 34 GLU HG2 . 10267 1 360 . 1 1 34 34 GLU HG3 H 1 1.934 0.030 . 2 . . . . 34 GLU HG3 . 10267 1 361 . 1 1 34 34 GLU C C 13 175.766 0.300 . 1 . . . . 34 GLU C . 10267 1 362 . 1 1 34 34 GLU CA C 13 54.263 0.300 . 1 . . . . 34 GLU CA . 10267 1 363 . 1 1 34 34 GLU CB C 13 32.128 0.300 . 1 . . . . 34 GLU CB . 10267 1 364 . 1 1 34 34 GLU CG C 13 36.812 0.300 . 1 . . . . 34 GLU CG . 10267 1 365 . 1 1 34 34 GLU N N 15 125.447 0.300 . 1 . . . . 34 GLU N . 10267 1 366 . 1 1 35 35 LYS H H 1 8.504 0.030 . 1 . . . . 35 LYS H . 10267 1 367 . 1 1 35 35 LYS HA H 1 4.026 0.030 . 1 . . . . 35 LYS HA . 10267 1 368 . 1 1 35 35 LYS HB2 H 1 1.763 0.030 . 2 . . . . 35 LYS HB2 . 10267 1 369 . 1 1 35 35 LYS HB3 H 1 1.691 0.030 . 2 . . . . 35 LYS HB3 . 10267 1 370 . 1 1 35 35 LYS HD2 H 1 1.741 0.030 . 1 . . . . 35 LYS HD2 . 10267 1 371 . 1 1 35 35 LYS HD3 H 1 1.741 0.030 . 1 . . . . 35 LYS HD3 . 10267 1 372 . 1 1 35 35 LYS HE2 H 1 2.990 0.030 . 1 . . . . 35 LYS HE2 . 10267 1 373 . 1 1 35 35 LYS HE3 H 1 2.990 0.030 . 1 . . . . 35 LYS HE3 . 10267 1 374 . 1 1 35 35 LYS HG2 H 1 1.412 0.030 . 2 . . . . 35 LYS HG2 . 10267 1 375 . 1 1 35 35 LYS HG3 H 1 1.379 0.030 . 2 . . . . 35 LYS HG3 . 10267 1 376 . 1 1 35 35 LYS C C 13 177.701 0.300 . 1 . . . . 35 LYS C . 10267 1 377 . 1 1 35 35 LYS CA C 13 57.591 0.300 . 1 . . . . 35 LYS CA . 10267 1 378 . 1 1 35 35 LYS CB C 13 32.491 0.300 . 1 . . . . 35 LYS CB . 10267 1 379 . 1 1 35 35 LYS CD C 13 29.530 0.300 . 1 . . . . 35 LYS CD . 10267 1 380 . 1 1 35 35 LYS CE C 13 42.034 0.300 . 1 . . . . 35 LYS CE . 10267 1 381 . 1 1 35 35 LYS CG C 13 24.512 0.300 . 1 . . . . 35 LYS CG . 10267 1 382 . 1 1 35 35 LYS N N 15 122.893 0.300 . 1 . . . . 35 LYS N . 10267 1 383 . 1 1 36 36 ASP H H 1 9.020 0.030 . 1 . . . . 36 ASP H . 10267 1 384 . 1 1 36 36 ASP HA H 1 4.385 0.030 . 1 . . . . 36 ASP HA . 10267 1 385 . 1 1 36 36 ASP HB2 H 1 2.898 0.030 . 2 . . . . 36 ASP HB2 . 10267 1 386 . 1 1 36 36 ASP HB3 H 1 2.742 0.030 . 2 . . . . 36 ASP HB3 . 10267 1 387 . 1 1 36 36 ASP C C 13 174.554 0.300 . 1 . . . . 36 ASP C . 10267 1 388 . 1 1 36 36 ASP CA C 13 55.868 0.300 . 1 . . . . 36 ASP CA . 10267 1 389 . 1 1 36 36 ASP CB C 13 39.826 0.300 . 1 . . . . 36 ASP CB . 10267 1 390 . 1 1 36 36 ASP N N 15 121.412 0.300 . 1 . . . . 36 ASP N . 10267 1 391 . 1 1 37 37 THR H H 1 7.464 0.030 . 1 . . . . 37 THR H . 10267 1 392 . 1 1 37 37 THR HA H 1 4.454 0.030 . 1 . . . . 37 THR HA . 10267 1 393 . 1 1 37 37 THR HB H 1 3.920 0.030 . 1 . . . . 37 THR HB . 10267 1 394 . 1 1 37 37 THR HG21 H 1 1.128 0.030 . 1 . . . . 37 THR HG2 . 10267 1 395 . 1 1 37 37 THR HG22 H 1 1.128 0.030 . 1 . . . . 37 THR HG2 . 10267 1 396 . 1 1 37 37 THR HG23 H 1 1.128 0.030 . 1 . . . . 37 THR HG2 . 10267 1 397 . 1 1 37 37 THR C C 13 172.012 0.300 . 1 . . . . 37 THR C . 10267 1 398 . 1 1 37 37 THR CA C 13 61.686 0.300 . 1 . . . . 37 THR CA . 10267 1 399 . 1 1 37 37 THR CB C 13 70.927 0.300 . 1 . . . . 37 THR CB . 10267 1 400 . 1 1 37 37 THR CG2 C 13 21.491 0.300 . 1 . . . . 37 THR CG2 . 10267 1 401 . 1 1 37 37 THR N N 15 113.147 0.300 . 1 . . . . 37 THR N . 10267 1 402 . 1 1 38 38 ASP H H 1 8.931 0.030 . 1 . . . . 38 ASP H . 10267 1 403 . 1 1 38 38 ASP HA H 1 4.852 0.030 . 1 . . . . 38 ASP HA . 10267 1 404 . 1 1 38 38 ASP HB2 H 1 2.864 0.030 . 2 . . . . 38 ASP HB2 . 10267 1 405 . 1 1 38 38 ASP HB3 H 1 2.726 0.030 . 2 . . . . 38 ASP HB3 . 10267 1 406 . 1 1 38 38 ASP CA C 13 54.826 0.300 . 1 . . . . 38 ASP CA . 10267 1 407 . 1 1 38 38 ASP CB C 13 43.332 0.300 . 1 . . . . 38 ASP CB . 10267 1 408 . 1 1 38 38 ASP N N 15 120.401 0.300 . 1 . . . . 38 ASP N . 10267 1 409 . 1 1 39 39 GLY H H 1 8.068 0.030 . 1 . . . . 39 GLY H . 10267 1 410 . 1 1 39 39 GLY HA2 H 1 3.774 0.030 . 2 . . . . 39 GLY HA2 . 10267 1 411 . 1 1 39 39 GLY HA3 H 1 3.555 0.030 . 2 . . . . 39 GLY HA3 . 10267 1 412 . 1 1 39 39 GLY C C 13 172.578 0.300 . 1 . . . . 39 GLY C . 10267 1 413 . 1 1 39 39 GLY CA C 13 43.967 0.300 . 1 . . . . 39 GLY CA . 10267 1 414 . 1 1 39 39 GLY N N 15 107.925 0.300 . 1 . . . . 39 GLY N . 10267 1 415 . 1 1 40 40 HIS H H 1 9.111 0.030 . 1 . . . . 40 HIS H . 10267 1 416 . 1 1 40 40 HIS HA H 1 4.650 0.030 . 1 . . . . 40 HIS HA . 10267 1 417 . 1 1 40 40 HIS HB2 H 1 3.009 0.030 . 2 . . . . 40 HIS HB2 . 10267 1 418 . 1 1 40 40 HIS HB3 H 1 2.654 0.030 . 2 . . . . 40 HIS HB3 . 10267 1 419 . 1 1 40 40 HIS HD2 H 1 7.067 0.030 . 1 . . . . 40 HIS HD2 . 10267 1 420 . 1 1 40 40 HIS HE1 H 1 7.523 0.030 . 1 . . . . 40 HIS HE1 . 10267 1 421 . 1 1 40 40 HIS C C 13 174.330 0.300 . 1 . . . . 40 HIS C . 10267 1 422 . 1 1 40 40 HIS CA C 13 55.886 0.300 . 1 . . . . 40 HIS CA . 10267 1 423 . 1 1 40 40 HIS CB C 13 30.507 0.300 . 1 . . . . 40 HIS CB . 10267 1 424 . 1 1 40 40 HIS CD2 C 13 119.480 0.300 . 1 . . . . 40 HIS CD2 . 10267 1 425 . 1 1 40 40 HIS CE1 C 13 137.852 0.300 . 1 . . . . 40 HIS CE1 . 10267 1 426 . 1 1 40 40 HIS N N 15 119.179 0.300 . 1 . . . . 40 HIS N . 10267 1 427 . 1 1 41 41 LEU H H 1 8.254 0.030 . 1 . . . . 41 LEU H . 10267 1 428 . 1 1 41 41 LEU HA H 1 4.626 0.030 . 1 . . . . 41 LEU HA . 10267 1 429 . 1 1 41 41 LEU HB2 H 1 1.461 0.030 . 2 . . . . 41 LEU HB2 . 10267 1 430 . 1 1 41 41 LEU HB3 H 1 1.179 0.030 . 2 . . . . 41 LEU HB3 . 10267 1 431 . 1 1 41 41 LEU HD11 H 1 0.636 0.030 . 1 . . . . 41 LEU HD1 . 10267 1 432 . 1 1 41 41 LEU HD12 H 1 0.636 0.030 . 1 . . . . 41 LEU HD1 . 10267 1 433 . 1 1 41 41 LEU HD13 H 1 0.636 0.030 . 1 . . . . 41 LEU HD1 . 10267 1 434 . 1 1 41 41 LEU HD21 H 1 0.533 0.030 . 1 . . . . 41 LEU HD2 . 10267 1 435 . 1 1 41 41 LEU HD22 H 1 0.533 0.030 . 1 . . . . 41 LEU HD2 . 10267 1 436 . 1 1 41 41 LEU HD23 H 1 0.533 0.030 . 1 . . . . 41 LEU HD2 . 10267 1 437 . 1 1 41 41 LEU HG H 1 1.360 0.030 . 1 . . . . 41 LEU HG . 10267 1 438 . 1 1 41 41 LEU C C 13 176.035 0.300 . 1 . . . . 41 LEU C . 10267 1 439 . 1 1 41 41 LEU CA C 13 55.621 0.300 . 1 . . . . 41 LEU CA . 10267 1 440 . 1 1 41 41 LEU CB C 13 45.091 0.300 . 1 . . . . 41 LEU CB . 10267 1 441 . 1 1 41 41 LEU CD1 C 13 25.951 0.300 . 2 . . . . 41 LEU CD1 . 10267 1 442 . 1 1 41 41 LEU CD2 C 13 25.118 0.300 . 2 . . . . 41 LEU CD2 . 10267 1 443 . 1 1 41 41 LEU CG C 13 27.959 0.300 . 1 . . . . 41 LEU CG . 10267 1 444 . 1 1 41 41 LEU N N 15 124.808 0.300 . 1 . . . . 41 LEU N . 10267 1 445 . 1 1 42 42 ILE H H 1 8.685 0.030 . 1 . . . . 42 ILE H . 10267 1 446 . 1 1 42 42 ILE HA H 1 4.578 0.030 . 1 . . . . 42 ILE HA . 10267 1 447 . 1 1 42 42 ILE HB H 1 2.000 0.030 . 1 . . . . 42 ILE HB . 10267 1 448 . 1 1 42 42 ILE HD11 H 1 0.337 0.030 . 1 . . . . 42 ILE HD1 . 10267 1 449 . 1 1 42 42 ILE HD12 H 1 0.337 0.030 . 1 . . . . 42 ILE HD1 . 10267 1 450 . 1 1 42 42 ILE HD13 H 1 0.337 0.030 . 1 . . . . 42 ILE HD1 . 10267 1 451 . 1 1 42 42 ILE HG12 H 1 1.293 0.030 . 2 . . . . 42 ILE HG12 . 10267 1 452 . 1 1 42 42 ILE HG13 H 1 1.018 0.030 . 2 . . . . 42 ILE HG13 . 10267 1 453 . 1 1 42 42 ILE HG21 H 1 0.647 0.030 . 1 . . . . 42 ILE HG2 . 10267 1 454 . 1 1 42 42 ILE HG22 H 1 0.647 0.030 . 1 . . . . 42 ILE HG2 . 10267 1 455 . 1 1 42 42 ILE HG23 H 1 0.647 0.030 . 1 . . . . 42 ILE HG2 . 10267 1 456 . 1 1 42 42 ILE C C 13 175.369 0.300 . 1 . . . . 42 ILE C . 10267 1 457 . 1 1 42 42 ILE CA C 13 59.852 0.300 . 1 . . . . 42 ILE CA . 10267 1 458 . 1 1 42 42 ILE CB C 13 36.778 0.300 . 1 . . . . 42 ILE CB . 10267 1 459 . 1 1 42 42 ILE CD1 C 13 13.131 0.300 . 1 . . . . 42 ILE CD1 . 10267 1 460 . 1 1 42 42 ILE CG1 C 13 27.135 0.300 . 1 . . . . 42 ILE CG1 . 10267 1 461 . 1 1 42 42 ILE CG2 C 13 18.663 0.300 . 1 . . . . 42 ILE CG2 . 10267 1 462 . 1 1 42 42 ILE N N 15 121.814 0.300 . 1 . . . . 42 ILE N . 10267 1 463 . 1 1 43 43 ARG H H 1 8.787 0.030 . 1 . . . . 43 ARG H . 10267 1 464 . 1 1 43 43 ARG HA H 1 4.852 0.030 . 1 . . . . 43 ARG HA . 10267 1 465 . 1 1 43 43 ARG HB2 H 1 2.061 0.030 . 2 . . . . 43 ARG HB2 . 10267 1 466 . 1 1 43 43 ARG HB3 H 1 1.616 0.030 . 2 . . . . 43 ARG HB3 . 10267 1 467 . 1 1 43 43 ARG HD2 H 1 3.696 0.030 . 2 . . . . 43 ARG HD2 . 10267 1 468 . 1 1 43 43 ARG HD3 H 1 3.120 0.030 . 2 . . . . 43 ARG HD3 . 10267 1 469 . 1 1 43 43 ARG HE H 1 8.310 0.030 . 1 . . . . 43 ARG HE . 10267 1 470 . 1 1 43 43 ARG HG2 H 1 1.620 0.030 . 2 . . . . 43 ARG HG2 . 10267 1 471 . 1 1 43 43 ARG HG3 H 1 1.319 0.030 . 2 . . . . 43 ARG HG3 . 10267 1 472 . 1 1 43 43 ARG C C 13 174.029 0.300 . 1 . . . . 43 ARG C . 10267 1 473 . 1 1 43 43 ARG CA C 13 52.730 0.300 . 1 . . . . 43 ARG CA . 10267 1 474 . 1 1 43 43 ARG CB C 13 36.983 0.300 . 1 . . . . 43 ARG CB . 10267 1 475 . 1 1 43 43 ARG CD C 13 44.161 0.300 . 1 . . . . 43 ARG CD . 10267 1 476 . 1 1 43 43 ARG CG C 13 32.244 0.300 . 1 . . . . 43 ARG CG . 10267 1 477 . 1 1 43 43 ARG N N 15 125.771 0.300 . 1 . . . . 43 ARG N . 10267 1 478 . 1 1 43 43 ARG NE N 15 86.343 0.300 . 1 . . . . 43 ARG NE . 10267 1 479 . 1 1 44 44 VAL H H 1 8.661 0.030 . 1 . . . . 44 VAL H . 10267 1 480 . 1 1 44 44 VAL HA H 1 3.276 0.030 . 1 . . . . 44 VAL HA . 10267 1 481 . 1 1 44 44 VAL HB H 1 2.425 0.030 . 1 . . . . 44 VAL HB . 10267 1 482 . 1 1 44 44 VAL HG11 H 1 0.803 0.030 . 1 . . . . 44 VAL HG1 . 10267 1 483 . 1 1 44 44 VAL HG12 H 1 0.803 0.030 . 1 . . . . 44 VAL HG1 . 10267 1 484 . 1 1 44 44 VAL HG13 H 1 0.803 0.030 . 1 . . . . 44 VAL HG1 . 10267 1 485 . 1 1 44 44 VAL HG21 H 1 0.907 0.030 . 1 . . . . 44 VAL HG2 . 10267 1 486 . 1 1 44 44 VAL HG22 H 1 0.907 0.030 . 1 . . . . 44 VAL HG2 . 10267 1 487 . 1 1 44 44 VAL HG23 H 1 0.907 0.030 . 1 . . . . 44 VAL HG2 . 10267 1 488 . 1 1 44 44 VAL C C 13 173.227 0.300 . 1 . . . . 44 VAL C . 10267 1 489 . 1 1 44 44 VAL CA C 13 63.161 0.300 . 1 . . . . 44 VAL CA . 10267 1 490 . 1 1 44 44 VAL CB C 13 29.054 0.300 . 1 . . . . 44 VAL CB . 10267 1 491 . 1 1 44 44 VAL CG1 C 13 22.847 0.300 . 2 . . . . 44 VAL CG1 . 10267 1 492 . 1 1 44 44 VAL CG2 C 13 21.315 0.300 . 2 . . . . 44 VAL CG2 . 10267 1 493 . 1 1 44 44 VAL N N 15 117.026 0.300 . 1 . . . . 44 VAL N . 10267 1 494 . 1 1 45 45 ILE H H 1 8.464 0.030 . 1 . . . . 45 ILE H . 10267 1 495 . 1 1 45 45 ILE HA H 1 4.579 0.030 . 1 . . . . 45 ILE HA . 10267 1 496 . 1 1 45 45 ILE HB H 1 1.770 0.030 . 1 . . . . 45 ILE HB . 10267 1 497 . 1 1 45 45 ILE HD11 H 1 0.498 0.030 . 1 . . . . 45 ILE HD1 . 10267 1 498 . 1 1 45 45 ILE HD12 H 1 0.498 0.030 . 1 . . . . 45 ILE HD1 . 10267 1 499 . 1 1 45 45 ILE HD13 H 1 0.498 0.030 . 1 . . . . 45 ILE HD1 . 10267 1 500 . 1 1 45 45 ILE HG12 H 1 1.352 0.030 . 2 . . . . 45 ILE HG12 . 10267 1 501 . 1 1 45 45 ILE HG13 H 1 0.830 0.030 . 2 . . . . 45 ILE HG13 . 10267 1 502 . 1 1 45 45 ILE HG21 H 1 0.676 0.030 . 1 . . . . 45 ILE HG2 . 10267 1 503 . 1 1 45 45 ILE HG22 H 1 0.676 0.030 . 1 . . . . 45 ILE HG2 . 10267 1 504 . 1 1 45 45 ILE HG23 H 1 0.676 0.030 . 1 . . . . 45 ILE HG2 . 10267 1 505 . 1 1 45 45 ILE C C 13 178.108 0.300 . 1 . . . . 45 ILE C . 10267 1 506 . 1 1 45 45 ILE CA C 13 59.888 0.300 . 1 . . . . 45 ILE CA . 10267 1 507 . 1 1 45 45 ILE CB C 13 36.998 0.300 . 1 . . . . 45 ILE CB . 10267 1 508 . 1 1 45 45 ILE CD1 C 13 12.825 0.300 . 1 . . . . 45 ILE CD1 . 10267 1 509 . 1 1 45 45 ILE CG1 C 13 28.069 0.300 . 1 . . . . 45 ILE CG1 . 10267 1 510 . 1 1 45 45 ILE CG2 C 13 17.459 0.300 . 1 . . . . 45 ILE CG2 . 10267 1 511 . 1 1 45 45 ILE N N 15 122.767 0.300 . 1 . . . . 45 ILE N . 10267 1 512 . 1 1 46 46 GLU H H 1 9.015 0.030 . 1 . . . . 46 GLU H . 10267 1 513 . 1 1 46 46 GLU HA H 1 4.206 0.030 . 1 . . . . 46 GLU HA . 10267 1 514 . 1 1 46 46 GLU HB2 H 1 1.973 0.030 . 1 . . . . 46 GLU HB2 . 10267 1 515 . 1 1 46 46 GLU HB3 H 1 1.973 0.030 . 1 . . . . 46 GLU HB3 . 10267 1 516 . 1 1 46 46 GLU HG2 H 1 2.294 0.030 . 2 . . . . 46 GLU HG2 . 10267 1 517 . 1 1 46 46 GLU HG3 H 1 2.207 0.030 . 2 . . . . 46 GLU HG3 . 10267 1 518 . 1 1 46 46 GLU C C 13 177.746 0.300 . 1 . . . . 46 GLU C . 10267 1 519 . 1 1 46 46 GLU CA C 13 56.130 0.300 . 1 . . . . 46 GLU CA . 10267 1 520 . 1 1 46 46 GLU CB C 13 30.581 0.300 . 1 . . . . 46 GLU CB . 10267 1 521 . 1 1 46 46 GLU CG C 13 36.370 0.300 . 1 . . . . 46 GLU CG . 10267 1 522 . 1 1 46 46 GLU N N 15 131.076 0.300 . 1 . . . . 46 GLU N . 10267 1 523 . 1 1 47 47 GLU H H 1 9.213 0.030 . 1 . . . . 47 GLU H . 10267 1 524 . 1 1 47 47 GLU HA H 1 4.194 0.030 . 1 . . . . 47 GLU HA . 10267 1 525 . 1 1 47 47 GLU HB2 H 1 2.020 0.030 . 1 . . . . 47 GLU HB2 . 10267 1 526 . 1 1 47 47 GLU HB3 H 1 2.020 0.030 . 1 . . . . 47 GLU HB3 . 10267 1 527 . 1 1 47 47 GLU HG2 H 1 2.440 0.030 . 2 . . . . 47 GLU HG2 . 10267 1 528 . 1 1 47 47 GLU HG3 H 1 2.295 0.030 . 2 . . . . 47 GLU HG3 . 10267 1 529 . 1 1 47 47 GLU C C 13 178.088 0.300 . 1 . . . . 47 GLU C . 10267 1 530 . 1 1 47 47 GLU CA C 13 58.212 0.300 . 1 . . . . 47 GLU CA . 10267 1 531 . 1 1 47 47 GLU CB C 13 29.390 0.300 . 1 . . . . 47 GLU CB . 10267 1 532 . 1 1 47 47 GLU CG C 13 36.360 0.300 . 1 . . . . 47 GLU CG . 10267 1 533 . 1 1 47 47 GLU N N 15 129.592 0.300 . 1 . . . . 47 GLU N . 10267 1 534 . 1 1 48 48 GLY H H 1 9.586 0.030 . 1 . . . . 48 GLY H . 10267 1 535 . 1 1 48 48 GLY HA2 H 1 4.141 0.030 . 2 . . . . 48 GLY HA2 . 10267 1 536 . 1 1 48 48 GLY HA3 H 1 3.757 0.030 . 2 . . . . 48 GLY HA3 . 10267 1 537 . 1 1 48 48 GLY C C 13 173.790 0.300 . 1 . . . . 48 GLY C . 10267 1 538 . 1 1 48 48 GLY CA C 13 45.764 0.300 . 1 . . . . 48 GLY CA . 10267 1 539 . 1 1 48 48 GLY N N 15 114.819 0.300 . 1 . . . . 48 GLY N . 10267 1 540 . 1 1 49 49 SER H H 1 7.580 0.030 . 1 . . . . 49 SER H . 10267 1 541 . 1 1 49 49 SER HA H 1 4.728 0.030 . 1 . . . . 49 SER HA . 10267 1 542 . 1 1 49 49 SER HB2 H 1 3.892 0.030 . 1 . . . . 49 SER HB2 . 10267 1 543 . 1 1 49 49 SER HB3 H 1 3.892 0.030 . 1 . . . . 49 SER HB3 . 10267 1 544 . 1 1 49 49 SER C C 13 173.542 0.300 . 1 . . . . 49 SER C . 10267 1 545 . 1 1 49 49 SER CA C 13 57.560 0.300 . 1 . . . . 49 SER CA . 10267 1 546 . 1 1 49 49 SER CB C 13 64.529 0.300 . 1 . . . . 49 SER CB . 10267 1 547 . 1 1 49 49 SER N N 15 114.688 0.300 . 1 . . . . 49 SER N . 10267 1 548 . 1 1 50 50 PRO HA H 1 4.431 0.030 . 1 . . . . 50 PRO HA . 10267 1 549 . 1 1 50 50 PRO HB2 H 1 3.035 0.030 . 2 . . . . 50 PRO HB2 . 10267 1 550 . 1 1 50 50 PRO HB3 H 1 2.321 0.030 . 2 . . . . 50 PRO HB3 . 10267 1 551 . 1 1 50 50 PRO HD2 H 1 4.044 0.030 . 2 . . . . 50 PRO HD2 . 10267 1 552 . 1 1 50 50 PRO HD3 H 1 3.947 0.030 . 2 . . . . 50 PRO HD3 . 10267 1 553 . 1 1 50 50 PRO HG2 H 1 2.311 0.030 . 2 . . . . 50 PRO HG2 . 10267 1 554 . 1 1 50 50 PRO HG3 H 1 2.219 0.030 . 2 . . . . 50 PRO HG3 . 10267 1 555 . 1 1 50 50 PRO C C 13 179.377 0.300 . 1 . . . . 50 PRO C . 10267 1 556 . 1 1 50 50 PRO CA C 13 66.059 0.300 . 1 . . . . 50 PRO CA . 10267 1 557 . 1 1 50 50 PRO CB C 13 32.598 0.300 . 1 . . . . 50 PRO CB . 10267 1 558 . 1 1 50 50 PRO CD C 13 50.745 0.300 . 1 . . . . 50 PRO CD . 10267 1 559 . 1 1 50 50 PRO CG C 13 28.769 0.300 . 1 . . . . 50 PRO CG . 10267 1 560 . 1 1 51 51 ALA H H 1 8.264 0.030 . 1 . . . . 51 ALA H . 10267 1 561 . 1 1 51 51 ALA HA H 1 3.817 0.030 . 1 . . . . 51 ALA HA . 10267 1 562 . 1 1 51 51 ALA HB1 H 1 1.447 0.030 . 1 . . . . 51 ALA HB . 10267 1 563 . 1 1 51 51 ALA HB2 H 1 1.447 0.030 . 1 . . . . 51 ALA HB . 10267 1 564 . 1 1 51 51 ALA HB3 H 1 1.447 0.030 . 1 . . . . 51 ALA HB . 10267 1 565 . 1 1 51 51 ALA C C 13 177.508 0.300 . 1 . . . . 51 ALA C . 10267 1 566 . 1 1 51 51 ALA CA C 13 55.392 0.300 . 1 . . . . 51 ALA CA . 10267 1 567 . 1 1 51 51 ALA CB C 13 20.474 0.300 . 1 . . . . 51 ALA CB . 10267 1 568 . 1 1 51 51 ALA N N 15 117.604 0.300 . 1 . . . . 51 ALA N . 10267 1 569 . 1 1 52 52 GLU H H 1 7.794 0.030 . 1 . . . . 52 GLU H . 10267 1 570 . 1 1 52 52 GLU HA H 1 3.881 0.030 . 1 . . . . 52 GLU HA . 10267 1 571 . 1 1 52 52 GLU HB2 H 1 2.309 0.030 . 2 . . . . 52 GLU HB2 . 10267 1 572 . 1 1 52 52 GLU HB3 H 1 2.114 0.030 . 2 . . . . 52 GLU HB3 . 10267 1 573 . 1 1 52 52 GLU HG2 H 1 2.278 0.030 . 2 . . . . 52 GLU HG2 . 10267 1 574 . 1 1 52 52 GLU HG3 H 1 2.140 0.030 . 2 . . . . 52 GLU HG3 . 10267 1 575 . 1 1 52 52 GLU C C 13 181.401 0.300 . 1 . . . . 52 GLU C . 10267 1 576 . 1 1 52 52 GLU CA C 13 59.454 0.300 . 1 . . . . 52 GLU CA . 10267 1 577 . 1 1 52 52 GLU CB C 13 30.247 0.300 . 1 . . . . 52 GLU CB . 10267 1 578 . 1 1 52 52 GLU CG C 13 37.257 0.300 . 1 . . . . 52 GLU CG . 10267 1 579 . 1 1 52 52 GLU N N 15 119.474 0.300 . 1 . . . . 52 GLU N . 10267 1 580 . 1 1 53 53 LYS H H 1 8.557 0.030 . 1 . . . . 53 LYS H . 10267 1 581 . 1 1 53 53 LYS HA H 1 4.020 0.030 . 1 . . . . 53 LYS HA . 10267 1 582 . 1 1 53 53 LYS HB2 H 1 1.933 0.030 . 1 . . . . 53 LYS HB2 . 10267 1 583 . 1 1 53 53 LYS HB3 H 1 1.933 0.030 . 1 . . . . 53 LYS HB3 . 10267 1 584 . 1 1 53 53 LYS HD2 H 1 2.963 0.030 . 2 . . . . 53 LYS HD2 . 10267 1 585 . 1 1 53 53 LYS HE2 H 1 2.951 0.030 . 2 . . . . 53 LYS HE2 . 10267 1 586 . 1 1 53 53 LYS HG2 H 1 1.570 0.030 . 2 . . . . 53 LYS HG2 . 10267 1 587 . 1 1 53 53 LYS HG3 H 1 1.498 0.030 . 2 . . . . 53 LYS HG3 . 10267 1 588 . 1 1 53 53 LYS C C 13 177.939 0.300 . 1 . . . . 53 LYS C . 10267 1 589 . 1 1 53 53 LYS CA C 13 59.012 0.300 . 1 . . . . 53 LYS CA . 10267 1 590 . 1 1 53 53 LYS CB C 13 32.438 0.300 . 1 . . . . 53 LYS CB . 10267 1 591 . 1 1 53 53 LYS CD C 13 29.195 0.300 . 1 . . . . 53 LYS CD . 10267 1 592 . 1 1 53 53 LYS CE C 13 41.969 0.300 . 1 . . . . 53 LYS CE . 10267 1 593 . 1 1 53 53 LYS CG C 13 25.549 0.300 . 1 . . . . 53 LYS CG . 10267 1 594 . 1 1 53 53 LYS N N 15 120.057 0.300 . 1 . . . . 53 LYS N . 10267 1 595 . 1 1 54 54 ALA H H 1 7.764 0.030 . 1 . . . . 54 ALA H . 10267 1 596 . 1 1 54 54 ALA HA H 1 4.400 0.030 . 1 . . . . 54 ALA HA . 10267 1 597 . 1 1 54 54 ALA HB1 H 1 1.400 0.030 . 1 . . . . 54 ALA HB . 10267 1 598 . 1 1 54 54 ALA HB2 H 1 1.400 0.030 . 1 . . . . 54 ALA HB . 10267 1 599 . 1 1 54 54 ALA HB3 H 1 1.400 0.030 . 1 . . . . 54 ALA HB . 10267 1 600 . 1 1 54 54 ALA C C 13 177.658 0.300 . 1 . . . . 54 ALA C . 10267 1 601 . 1 1 54 54 ALA CA C 13 52.412 0.300 . 1 . . . . 54 ALA CA . 10267 1 602 . 1 1 54 54 ALA CB C 13 20.739 0.300 . 1 . . . . 54 ALA CB . 10267 1 603 . 1 1 54 54 ALA N N 15 117.678 0.300 . 1 . . . . 54 ALA N . 10267 1 604 . 1 1 55 55 GLY H H 1 7.583 0.030 . 1 . . . . 55 GLY H . 10267 1 605 . 1 1 55 55 GLY HA2 H 1 4.266 0.030 . 2 . . . . 55 GLY HA2 . 10267 1 606 . 1 1 55 55 GLY HA3 H 1 3.775 0.030 . 2 . . . . 55 GLY HA3 . 10267 1 607 . 1 1 55 55 GLY C C 13 175.232 0.300 . 1 . . . . 55 GLY C . 10267 1 608 . 1 1 55 55 GLY CA C 13 45.368 0.300 . 1 . . . . 55 GLY CA . 10267 1 609 . 1 1 55 55 GLY N N 15 103.265 0.300 . 1 . . . . 55 GLY N . 10267 1 610 . 1 1 56 56 LEU H H 1 7.280 0.030 . 1 . . . . 56 LEU H . 10267 1 611 . 1 1 56 56 LEU HA H 1 3.984 0.030 . 1 . . . . 56 LEU HA . 10267 1 612 . 1 1 56 56 LEU HB2 H 1 1.404 0.030 . 2 . . . . 56 LEU HB2 . 10267 1 613 . 1 1 56 56 LEU HB3 H 1 1.014 0.030 . 2 . . . . 56 LEU HB3 . 10267 1 614 . 1 1 56 56 LEU HD11 H 1 0.634 0.030 . 1 . . . . 56 LEU HD1 . 10267 1 615 . 1 1 56 56 LEU HD12 H 1 0.634 0.030 . 1 . . . . 56 LEU HD1 . 10267 1 616 . 1 1 56 56 LEU HD13 H 1 0.634 0.030 . 1 . . . . 56 LEU HD1 . 10267 1 617 . 1 1 56 56 LEU HD21 H 1 0.239 0.030 . 1 . . . . 56 LEU HD2 . 10267 1 618 . 1 1 56 56 LEU HD22 H 1 0.239 0.030 . 1 . . . . 56 LEU HD2 . 10267 1 619 . 1 1 56 56 LEU HD23 H 1 0.239 0.030 . 1 . . . . 56 LEU HD2 . 10267 1 620 . 1 1 56 56 LEU HG H 1 1.439 0.030 . 1 . . . . 56 LEU HG . 10267 1 621 . 1 1 56 56 LEU C C 13 174.708 0.300 . 1 . . . . 56 LEU C . 10267 1 622 . 1 1 56 56 LEU CA C 13 55.603 0.300 . 1 . . . . 56 LEU CA . 10267 1 623 . 1 1 56 56 LEU CB C 13 42.752 0.300 . 1 . . . . 56 LEU CB . 10267 1 624 . 1 1 56 56 LEU CD1 C 13 24.416 0.300 . 2 . . . . 56 LEU CD1 . 10267 1 625 . 1 1 56 56 LEU CD2 C 13 25.905 0.300 . 2 . . . . 56 LEU CD2 . 10267 1 626 . 1 1 56 56 LEU CG C 13 26.874 0.300 . 1 . . . . 56 LEU CG . 10267 1 627 . 1 1 56 56 LEU N N 15 119.211 0.300 . 1 . . . . 56 LEU N . 10267 1 628 . 1 1 57 57 LEU H H 1 8.693 0.030 . 1 . . . . 57 LEU H . 10267 1 629 . 1 1 57 57 LEU HA H 1 4.499 0.030 . 1 . . . . 57 LEU HA . 10267 1 630 . 1 1 57 57 LEU HB2 H 1 1.858 0.030 . 2 . . . . 57 LEU HB2 . 10267 1 631 . 1 1 57 57 LEU HB3 H 1 1.208 0.030 . 2 . . . . 57 LEU HB3 . 10267 1 632 . 1 1 57 57 LEU HD11 H 1 0.860 0.030 . 1 . . . . 57 LEU HD1 . 10267 1 633 . 1 1 57 57 LEU HD12 H 1 0.860 0.030 . 1 . . . . 57 LEU HD1 . 10267 1 634 . 1 1 57 57 LEU HD13 H 1 0.860 0.030 . 1 . . . . 57 LEU HD1 . 10267 1 635 . 1 1 57 57 LEU HD21 H 1 0.825 0.030 . 1 . . . . 57 LEU HD2 . 10267 1 636 . 1 1 57 57 LEU HD22 H 1 0.825 0.030 . 1 . . . . 57 LEU HD2 . 10267 1 637 . 1 1 57 57 LEU HD23 H 1 0.825 0.030 . 1 . . . . 57 LEU HD2 . 10267 1 638 . 1 1 57 57 LEU HG H 1 1.535 0.030 . 1 . . . . 57 LEU HG . 10267 1 639 . 1 1 57 57 LEU C C 13 176.124 0.300 . 1 . . . . 57 LEU C . 10267 1 640 . 1 1 57 57 LEU CA C 13 52.959 0.300 . 1 . . . . 57 LEU CA . 10267 1 641 . 1 1 57 57 LEU CB C 13 45.122 0.300 . 1 . . . . 57 LEU CB . 10267 1 642 . 1 1 57 57 LEU CD1 C 13 25.404 0.300 . 2 . . . . 57 LEU CD1 . 10267 1 643 . 1 1 57 57 LEU CD2 C 13 23.014 0.300 . 2 . . . . 57 LEU CD2 . 10267 1 644 . 1 1 57 57 LEU CG C 13 26.284 0.300 . 1 . . . . 57 LEU CG . 10267 1 645 . 1 1 57 57 LEU N N 15 121.969 0.300 . 1 . . . . 57 LEU N . 10267 1 646 . 1 1 58 58 ASP H H 1 8.334 0.030 . 1 . . . . 58 ASP H . 10267 1 647 . 1 1 58 58 ASP HA H 1 4.139 0.030 . 1 . . . . 58 ASP HA . 10267 1 648 . 1 1 58 58 ASP HB2 H 1 2.617 0.030 . 2 . . . . 58 ASP HB2 . 10267 1 649 . 1 1 58 58 ASP HB3 H 1 2.571 0.030 . 2 . . . . 58 ASP HB3 . 10267 1 650 . 1 1 58 58 ASP C C 13 178.636 0.300 . 1 . . . . 58 ASP C . 10267 1 651 . 1 1 58 58 ASP CA C 13 56.079 0.300 . 1 . . . . 58 ASP CA . 10267 1 652 . 1 1 58 58 ASP CB C 13 42.135 0.300 . 1 . . . . 58 ASP CB . 10267 1 653 . 1 1 58 58 ASP N N 15 120.401 0.300 . 1 . . . . 58 ASP N . 10267 1 654 . 1 1 59 59 GLY H H 1 9.378 0.030 . 1 . . . . 59 GLY H . 10267 1 655 . 1 1 59 59 GLY HA2 H 1 4.317 0.030 . 2 . . . . 59 GLY HA2 . 10267 1 656 . 1 1 59 59 GLY HA3 H 1 3.260 0.030 . 2 . . . . 59 GLY HA3 . 10267 1 657 . 1 1 59 59 GLY C C 13 173.359 0.300 . 1 . . . . 59 GLY C . 10267 1 658 . 1 1 59 59 GLY CA C 13 45.517 0.300 . 1 . . . . 59 GLY CA . 10267 1 659 . 1 1 59 59 GLY N N 15 116.622 0.300 . 1 . . . . 59 GLY N . 10267 1 660 . 1 1 60 60 ASP H H 1 8.009 0.030 . 1 . . . . 60 ASP H . 10267 1 661 . 1 1 60 60 ASP HA H 1 4.638 0.030 . 1 . . . . 60 ASP HA . 10267 1 662 . 1 1 60 60 ASP HB2 H 1 2.630 0.030 . 2 . . . . 60 ASP HB2 . 10267 1 663 . 1 1 60 60 ASP HB3 H 1 2.070 0.030 . 2 . . . . 60 ASP HB3 . 10267 1 664 . 1 1 60 60 ASP C C 13 175.555 0.300 . 1 . . . . 60 ASP C . 10267 1 665 . 1 1 60 60 ASP CA C 13 55.286 0.300 . 1 . . . . 60 ASP CA . 10267 1 666 . 1 1 60 60 ASP CB C 13 42.381 0.300 . 1 . . . . 60 ASP CB . 10267 1 667 . 1 1 60 60 ASP N N 15 121.370 0.300 . 1 . . . . 60 ASP N . 10267 1 668 . 1 1 61 61 ARG H H 1 8.648 0.030 . 1 . . . . 61 ARG H . 10267 1 669 . 1 1 61 61 ARG HA H 1 5.179 0.030 . 1 . . . . 61 ARG HA . 10267 1 670 . 1 1 61 61 ARG HB2 H 1 1.542 0.030 . 2 . . . . 61 ARG HB2 . 10267 1 671 . 1 1 61 61 ARG HB3 H 1 1.104 0.030 . 2 . . . . 61 ARG HB3 . 10267 1 672 . 1 1 61 61 ARG HD2 H 1 2.879 0.030 . 2 . . . . 61 ARG HD2 . 10267 1 673 . 1 1 61 61 ARG HD3 H 1 2.391 0.030 . 2 . . . . 61 ARG HD3 . 10267 1 674 . 1 1 61 61 ARG HE H 1 6.252 0.030 . 1 . . . . 61 ARG HE . 10267 1 675 . 1 1 61 61 ARG HG2 H 1 0.836 0.030 . 2 . . . . 61 ARG HG2 . 10267 1 676 . 1 1 61 61 ARG HG3 H 1 -0.005 0.030 . 2 . . . . 61 ARG HG3 . 10267 1 677 . 1 1 61 61 ARG C C 13 177.381 0.300 . 1 . . . . 61 ARG C . 10267 1 678 . 1 1 61 61 ARG CA C 13 53.704 0.300 . 1 . . . . 61 ARG CA . 10267 1 679 . 1 1 61 61 ARG CB C 13 34.017 0.300 . 1 . . . . 61 ARG CB . 10267 1 680 . 1 1 61 61 ARG CD C 13 43.637 0.300 . 1 . . . . 61 ARG CD . 10267 1 681 . 1 1 61 61 ARG CG C 13 29.277 0.300 . 1 . . . . 61 ARG CG . 10267 1 682 . 1 1 61 61 ARG N N 15 116.958 0.300 . 1 . . . . 61 ARG N . 10267 1 683 . 1 1 61 61 ARG NE N 15 86.215 0.300 . 1 . . . . 61 ARG NE . 10267 1 684 . 1 1 62 62 VAL H H 1 8.247 0.030 . 1 . . . . 62 VAL H . 10267 1 685 . 1 1 62 62 VAL HA H 1 3.806 0.030 . 1 . . . . 62 VAL HA . 10267 1 686 . 1 1 62 62 VAL HB H 1 1.800 0.030 . 1 . . . . 62 VAL HB . 10267 1 687 . 1 1 62 62 VAL HG11 H 1 0.734 0.030 . 1 . . . . 62 VAL HG1 . 10267 1 688 . 1 1 62 62 VAL HG12 H 1 0.734 0.030 . 1 . . . . 62 VAL HG1 . 10267 1 689 . 1 1 62 62 VAL HG13 H 1 0.734 0.030 . 1 . . . . 62 VAL HG1 . 10267 1 690 . 1 1 62 62 VAL HG21 H 1 0.585 0.030 . 1 . . . . 62 VAL HG2 . 10267 1 691 . 1 1 62 62 VAL HG22 H 1 0.585 0.030 . 1 . . . . 62 VAL HG2 . 10267 1 692 . 1 1 62 62 VAL HG23 H 1 0.585 0.030 . 1 . . . . 62 VAL HG2 . 10267 1 693 . 1 1 62 62 VAL C C 13 174.748 0.300 . 1 . . . . 62 VAL C . 10267 1 694 . 1 1 62 62 VAL CA C 13 63.149 0.300 . 1 . . . . 62 VAL CA . 10267 1 695 . 1 1 62 62 VAL CB C 13 32.574 0.300 . 1 . . . . 62 VAL CB . 10267 1 696 . 1 1 62 62 VAL CG1 C 13 22.862 0.300 . 2 . . . . 62 VAL CG1 . 10267 1 697 . 1 1 62 62 VAL CG2 C 13 22.759 0.300 . 2 . . . . 62 VAL CG2 . 10267 1 698 . 1 1 62 62 VAL N N 15 118.546 0.300 . 1 . . . . 62 VAL N . 10267 1 699 . 1 1 63 63 LEU H H 1 9.262 0.030 . 1 . . . . 63 LEU H . 10267 1 700 . 1 1 63 63 LEU HA H 1 4.412 0.030 . 1 . . . . 63 LEU HA . 10267 1 701 . 1 1 63 63 LEU HB2 H 1 1.788 0.030 . 2 . . . . 63 LEU HB2 . 10267 1 702 . 1 1 63 63 LEU HB3 H 1 1.640 0.030 . 2 . . . . 63 LEU HB3 . 10267 1 703 . 1 1 63 63 LEU HD11 H 1 0.991 0.030 . 1 . . . . 63 LEU HD1 . 10267 1 704 . 1 1 63 63 LEU HD12 H 1 0.991 0.030 . 1 . . . . 63 LEU HD1 . 10267 1 705 . 1 1 63 63 LEU HD13 H 1 0.991 0.030 . 1 . . . . 63 LEU HD1 . 10267 1 706 . 1 1 63 63 LEU HD21 H 1 1.021 0.030 . 1 . . . . 63 LEU HD2 . 10267 1 707 . 1 1 63 63 LEU HD22 H 1 1.021 0.030 . 1 . . . . 63 LEU HD2 . 10267 1 708 . 1 1 63 63 LEU HD23 H 1 1.021 0.030 . 1 . . . . 63 LEU HD2 . 10267 1 709 . 1 1 63 63 LEU HG H 1 1.792 0.030 . 1 . . . . 63 LEU HG . 10267 1 710 . 1 1 63 63 LEU C C 13 177.649 0.300 . 1 . . . . 63 LEU C . 10267 1 711 . 1 1 63 63 LEU CA C 13 56.044 0.300 . 1 . . . . 63 LEU CA . 10267 1 712 . 1 1 63 63 LEU CB C 13 43.339 0.300 . 1 . . . . 63 LEU CB . 10267 1 713 . 1 1 63 63 LEU CD1 C 13 26.357 0.300 . 2 . . . . 63 LEU CD1 . 10267 1 714 . 1 1 63 63 LEU CD2 C 13 23.709 0.300 . 2 . . . . 63 LEU CD2 . 10267 1 715 . 1 1 63 63 LEU CG C 13 27.650 0.300 . 1 . . . . 63 LEU CG . 10267 1 716 . 1 1 63 63 LEU N N 15 125.413 0.300 . 1 . . . . 63 LEU N . 10267 1 717 . 1 1 64 64 ARG H H 1 7.806 0.030 . 1 . . . . 64 ARG H . 10267 1 718 . 1 1 64 64 ARG HA H 1 5.704 0.030 . 1 . . . . 64 ARG HA . 10267 1 719 . 1 1 64 64 ARG HB2 H 1 1.840 0.030 . 2 . . . . 64 ARG HB2 . 10267 1 720 . 1 1 64 64 ARG HB3 H 1 1.156 0.030 . 2 . . . . 64 ARG HB3 . 10267 1 721 . 1 1 64 64 ARG HD2 H 1 3.100 0.030 . 2 . . . . 64 ARG HD2 . 10267 1 722 . 1 1 64 64 ARG HD3 H 1 2.939 0.030 . 2 . . . . 64 ARG HD3 . 10267 1 723 . 1 1 64 64 ARG HE H 1 7.963 0.030 . 1 . . . . 64 ARG HE . 10267 1 724 . 1 1 64 64 ARG HG2 H 1 1.655 0.030 . 2 . . . . 64 ARG HG2 . 10267 1 725 . 1 1 64 64 ARG HG3 H 1 1.544 0.030 . 2 . . . . 64 ARG HG3 . 10267 1 726 . 1 1 64 64 ARG C C 13 175.091 0.300 . 1 . . . . 64 ARG C . 10267 1 727 . 1 1 64 64 ARG CA C 13 54.148 0.300 . 1 . . . . 64 ARG CA . 10267 1 728 . 1 1 64 64 ARG CB C 13 35.742 0.300 . 1 . . . . 64 ARG CB . 10267 1 729 . 1 1 64 64 ARG CD C 13 43.659 0.300 . 1 . . . . 64 ARG CD . 10267 1 730 . 1 1 64 64 ARG CG C 13 29.525 0.300 . 1 . . . . 64 ARG CG . 10267 1 731 . 1 1 64 64 ARG N N 15 112.961 0.300 . 1 . . . . 64 ARG N . 10267 1 732 . 1 1 64 64 ARG NE N 15 85.787 0.300 . 1 . . . . 64 ARG NE . 10267 1 733 . 1 1 65 65 ILE H H 1 8.327 0.030 . 1 . . . . 65 ILE H . 10267 1 734 . 1 1 65 65 ILE HA H 1 4.384 0.030 . 1 . . . . 65 ILE HA . 10267 1 735 . 1 1 65 65 ILE HB H 1 1.424 0.030 . 1 . . . . 65 ILE HB . 10267 1 736 . 1 1 65 65 ILE HD11 H 1 0.575 0.030 . 1 . . . . 65 ILE HD1 . 10267 1 737 . 1 1 65 65 ILE HD12 H 1 0.575 0.030 . 1 . . . . 65 ILE HD1 . 10267 1 738 . 1 1 65 65 ILE HD13 H 1 0.575 0.030 . 1 . . . . 65 ILE HD1 . 10267 1 739 . 1 1 65 65 ILE HG12 H 1 1.291 0.030 . 2 . . . . 65 ILE HG12 . 10267 1 740 . 1 1 65 65 ILE HG13 H 1 0.634 0.030 . 2 . . . . 65 ILE HG13 . 10267 1 741 . 1 1 65 65 ILE HG21 H 1 0.726 0.030 . 1 . . . . 65 ILE HG2 . 10267 1 742 . 1 1 65 65 ILE HG22 H 1 0.726 0.030 . 1 . . . . 65 ILE HG2 . 10267 1 743 . 1 1 65 65 ILE HG23 H 1 0.726 0.030 . 1 . . . . 65 ILE HG2 . 10267 1 744 . 1 1 65 65 ILE C C 13 175.722 0.300 . 1 . . . . 65 ILE C . 10267 1 745 . 1 1 65 65 ILE CA C 13 60.501 0.300 . 1 . . . . 65 ILE CA . 10267 1 746 . 1 1 65 65 ILE CB C 13 39.547 0.300 . 1 . . . . 65 ILE CB . 10267 1 747 . 1 1 65 65 ILE CD1 C 13 16.747 0.300 . 1 . . . . 65 ILE CD1 . 10267 1 748 . 1 1 65 65 ILE CG1 C 13 27.119 0.300 . 1 . . . . 65 ILE CG1 . 10267 1 749 . 1 1 65 65 ILE CG2 C 13 15.962 0.300 . 1 . . . . 65 ILE CG2 . 10267 1 750 . 1 1 65 65 ILE N N 15 119.175 0.300 . 1 . . . . 65 ILE N . 10267 1 751 . 1 1 66 66 ASN H H 1 9.911 0.030 . 1 . . . . 66 ASN H . 10267 1 752 . 1 1 66 66 ASN HA H 1 4.428 0.030 . 1 . . . . 66 ASN HA . 10267 1 753 . 1 1 66 66 ASN HB2 H 1 3.043 0.030 . 1 . . . . 66 ASN HB2 . 10267 1 754 . 1 1 66 66 ASN HB3 H 1 3.043 0.030 . 1 . . . . 66 ASN HB3 . 10267 1 755 . 1 1 66 66 ASN HD21 H 1 7.805 0.030 . 2 . . . . 66 ASN HD21 . 10267 1 756 . 1 1 66 66 ASN HD22 H 1 7.580 0.030 . 2 . . . . 66 ASN HD22 . 10267 1 757 . 1 1 66 66 ASN C C 13 175.349 0.300 . 1 . . . . 66 ASN C . 10267 1 758 . 1 1 66 66 ASN CA C 13 54.157 0.300 . 1 . . . . 66 ASN CA . 10267 1 759 . 1 1 66 66 ASN CB C 13 37.024 0.300 . 1 . . . . 66 ASN CB . 10267 1 760 . 1 1 66 66 ASN N N 15 128.952 0.300 . 1 . . . . 66 ASN N . 10267 1 761 . 1 1 66 66 ASN ND2 N 15 114.699 0.300 . 1 . . . . 66 ASN ND2 . 10267 1 762 . 1 1 67 67 GLY H H 1 9.230 0.030 . 1 . . . . 67 GLY H . 10267 1 763 . 1 1 67 67 GLY HA2 H 1 4.322 0.030 . 2 . . . . 67 GLY HA2 . 10267 1 764 . 1 1 67 67 GLY HA3 H 1 3.508 0.030 . 2 . . . . 67 GLY HA3 . 10267 1 765 . 1 1 67 67 GLY C C 13 174.393 0.300 . 1 . . . . 67 GLY C . 10267 1 766 . 1 1 67 67 GLY CA C 13 45.341 0.300 . 1 . . . . 67 GLY CA . 10267 1 767 . 1 1 67 67 GLY N N 15 103.238 0.300 . 1 . . . . 67 GLY N . 10267 1 768 . 1 1 68 68 VAL H H 1 8.063 0.030 . 1 . . . . 68 VAL H . 10267 1 769 . 1 1 68 68 VAL HA H 1 4.015 0.030 . 1 . . . . 68 VAL HA . 10267 1 770 . 1 1 68 68 VAL HB H 1 2.150 0.030 . 1 . . . . 68 VAL HB . 10267 1 771 . 1 1 68 68 VAL HG11 H 1 0.992 0.030 . 1 . . . . 68 VAL HG1 . 10267 1 772 . 1 1 68 68 VAL HG12 H 1 0.992 0.030 . 1 . . . . 68 VAL HG1 . 10267 1 773 . 1 1 68 68 VAL HG13 H 1 0.992 0.030 . 1 . . . . 68 VAL HG1 . 10267 1 774 . 1 1 68 68 VAL HG21 H 1 0.866 0.030 . 1 . . . . 68 VAL HG2 . 10267 1 775 . 1 1 68 68 VAL HG22 H 1 0.866 0.030 . 1 . . . . 68 VAL HG2 . 10267 1 776 . 1 1 68 68 VAL HG23 H 1 0.866 0.030 . 1 . . . . 68 VAL HG2 . 10267 1 777 . 1 1 68 68 VAL C C 13 175.833 0.300 . 1 . . . . 68 VAL C . 10267 1 778 . 1 1 68 68 VAL CA C 13 62.603 0.300 . 1 . . . . 68 VAL CA . 10267 1 779 . 1 1 68 68 VAL CB C 13 32.574 0.300 . 1 . . . . 68 VAL CB . 10267 1 780 . 1 1 68 68 VAL CG1 C 13 21.530 0.300 . 2 . . . . 68 VAL CG1 . 10267 1 781 . 1 1 68 68 VAL CG2 C 13 20.706 0.300 . 2 . . . . 68 VAL CG2 . 10267 1 782 . 1 1 68 68 VAL N N 15 125.696 0.300 . 1 . . . . 68 VAL N . 10267 1 783 . 1 1 69 69 PHE H H 1 9.301 0.030 . 1 . . . . 69 PHE H . 10267 1 784 . 1 1 69 69 PHE HA H 1 4.947 0.030 . 1 . . . . 69 PHE HA . 10267 1 785 . 1 1 69 69 PHE HB2 H 1 3.180 0.030 . 2 . . . . 69 PHE HB2 . 10267 1 786 . 1 1 69 69 PHE HB3 H 1 3.026 0.030 . 2 . . . . 69 PHE HB3 . 10267 1 787 . 1 1 69 69 PHE HD1 H 1 7.297 0.030 . 1 . . . . 69 PHE HD1 . 10267 1 788 . 1 1 69 69 PHE HD2 H 1 7.297 0.030 . 1 . . . . 69 PHE HD2 . 10267 1 789 . 1 1 69 69 PHE HE1 H 1 7.252 0.030 . 1 . . . . 69 PHE HE1 . 10267 1 790 . 1 1 69 69 PHE HE2 H 1 7.252 0.030 . 1 . . . . 69 PHE HE2 . 10267 1 791 . 1 1 69 69 PHE HZ H 1 7.452 0.030 . 1 . . . . 69 PHE HZ . 10267 1 792 . 1 1 69 69 PHE C C 13 177.120 0.300 . 1 . . . . 69 PHE C . 10267 1 793 . 1 1 69 69 PHE CA C 13 59.200 0.300 . 1 . . . . 69 PHE CA . 10267 1 794 . 1 1 69 69 PHE CB C 13 39.320 0.300 . 1 . . . . 69 PHE CB . 10267 1 795 . 1 1 69 69 PHE CD1 C 13 132.911 0.300 . 1 . . . . 69 PHE CD1 . 10267 1 796 . 1 1 69 69 PHE CD2 C 13 132.911 0.300 . 1 . . . . 69 PHE CD2 . 10267 1 797 . 1 1 69 69 PHE CE1 C 13 131.043 0.300 . 1 . . . . 69 PHE CE1 . 10267 1 798 . 1 1 69 69 PHE CE2 C 13 131.043 0.300 . 1 . . . . 69 PHE CE2 . 10267 1 799 . 1 1 69 69 PHE CZ C 13 131.425 0.300 . 1 . . . . 69 PHE CZ . 10267 1 800 . 1 1 69 69 PHE N N 15 128.641 0.300 . 1 . . . . 69 PHE N . 10267 1 801 . 1 1 70 70 VAL H H 1 8.312 0.030 . 1 . . . . 70 VAL H . 10267 1 802 . 1 1 70 70 VAL HA H 1 4.517 0.030 . 1 . . . . 70 VAL HA . 10267 1 803 . 1 1 70 70 VAL HB H 1 2.266 0.030 . 1 . . . . 70 VAL HB . 10267 1 804 . 1 1 70 70 VAL HG11 H 1 0.717 0.030 . 1 . . . . 70 VAL HG1 . 10267 1 805 . 1 1 70 70 VAL HG12 H 1 0.717 0.030 . 1 . . . . 70 VAL HG1 . 10267 1 806 . 1 1 70 70 VAL HG13 H 1 0.717 0.030 . 1 . . . . 70 VAL HG1 . 10267 1 807 . 1 1 70 70 VAL HG21 H 1 0.304 0.030 . 1 . . . . 70 VAL HG2 . 10267 1 808 . 1 1 70 70 VAL HG22 H 1 0.304 0.030 . 1 . . . . 70 VAL HG2 . 10267 1 809 . 1 1 70 70 VAL HG23 H 1 0.304 0.030 . 1 . . . . 70 VAL HG2 . 10267 1 810 . 1 1 70 70 VAL CA C 13 60.734 0.300 . 1 . . . . 70 VAL CA . 10267 1 811 . 1 1 70 70 VAL CB C 13 32.976 0.300 . 1 . . . . 70 VAL CB . 10267 1 812 . 1 1 70 70 VAL CG1 C 13 20.630 0.300 . 2 . . . . 70 VAL CG1 . 10267 1 813 . 1 1 70 70 VAL CG2 C 13 17.967 0.300 . 2 . . . . 70 VAL CG2 . 10267 1 814 . 1 1 70 70 VAL N N 15 118.381 0.300 . 1 . . . . 70 VAL N . 10267 1 815 . 1 1 71 71 ASP H H 1 5.373 0.030 . 1 . . . . 71 ASP H . 10267 1 816 . 1 1 71 71 ASP HA H 1 4.413 0.030 . 1 . . . . 71 ASP HA . 10267 1 817 . 1 1 71 71 ASP HB2 H 1 2.286 0.030 . 2 . . . . 71 ASP HB2 . 10267 1 818 . 1 1 71 71 ASP HB3 H 1 2.188 0.030 . 2 . . . . 71 ASP HB3 . 10267 1 819 . 1 1 71 71 ASP C C 13 174.896 0.300 . 1 . . . . 71 ASP C . 10267 1 820 . 1 1 71 71 ASP CA C 13 58.334 0.300 . 1 . . . . 71 ASP CA . 10267 1 821 . 1 1 71 71 ASP CB C 13 46.097 0.300 . 1 . . . . 71 ASP CB . 10267 1 822 . 1 1 71 71 ASP N N 15 119.008 0.300 . 1 . . . . 71 ASP N . 10267 1 823 . 1 1 72 72 LYS H H 1 7.874 0.030 . 1 . . . . 72 LYS H . 10267 1 824 . 1 1 72 72 LYS HA H 1 4.522 0.030 . 1 . . . . 72 LYS HA . 10267 1 825 . 1 1 72 72 LYS HB2 H 1 2.125 0.030 . 2 . . . . 72 LYS HB2 . 10267 1 826 . 1 1 72 72 LYS HB3 H 1 1.754 0.030 . 2 . . . . 72 LYS HB3 . 10267 1 827 . 1 1 72 72 LYS HD2 H 1 1.735 0.030 . 2 . . . . 72 LYS HD2 . 10267 1 828 . 1 1 72 72 LYS HD3 H 1 1.687 0.030 . 2 . . . . 72 LYS HD3 . 10267 1 829 . 1 1 72 72 LYS HE2 H 1 3.106 0.030 . 2 . . . . 72 LYS HE2 . 10267 1 830 . 1 1 72 72 LYS HE3 H 1 3.065 0.030 . 2 . . . . 72 LYS HE3 . 10267 1 831 . 1 1 72 72 LYS HG2 H 1 1.630 0.030 . 2 . . . . 72 LYS HG2 . 10267 1 832 . 1 1 72 72 LYS HG3 H 1 1.475 0.030 . 2 . . . . 72 LYS HG3 . 10267 1 833 . 1 1 72 72 LYS C C 13 177.209 0.300 . 1 . . . . 72 LYS C . 10267 1 834 . 1 1 72 72 LYS CA C 13 54.122 0.300 . 1 . . . . 72 LYS CA . 10267 1 835 . 1 1 72 72 LYS CB C 13 31.640 0.300 . 1 . . . . 72 LYS CB . 10267 1 836 . 1 1 72 72 LYS CD C 13 28.288 0.300 . 1 . . . . 72 LYS CD . 10267 1 837 . 1 1 72 72 LYS CE C 13 42.249 0.300 . 1 . . . . 72 LYS CE . 10267 1 838 . 1 1 72 72 LYS CG C 13 24.580 0.300 . 1 . . . . 72 LYS CG . 10267 1 839 . 1 1 72 72 LYS N N 15 110.259 0.300 . 1 . . . . 72 LYS N . 10267 1 840 . 1 1 73 73 GLU H H 1 7.421 0.030 . 1 . . . . 73 GLU H . 10267 1 841 . 1 1 73 73 GLU HA H 1 4.401 0.030 . 1 . . . . 73 GLU HA . 10267 1 842 . 1 1 73 73 GLU HB2 H 1 2.039 0.030 . 2 . . . . 73 GLU HB2 . 10267 1 843 . 1 1 73 73 GLU HB3 H 1 1.781 0.030 . 2 . . . . 73 GLU HB3 . 10267 1 844 . 1 1 73 73 GLU HG2 H 1 2.330 0.030 . 2 . . . . 73 GLU HG2 . 10267 1 845 . 1 1 73 73 GLU HG3 H 1 2.222 0.030 . 2 . . . . 73 GLU HG3 . 10267 1 846 . 1 1 73 73 GLU C C 13 176.728 0.300 . 1 . . . . 73 GLU C . 10267 1 847 . 1 1 73 73 GLU CA C 13 54.950 0.300 . 1 . . . . 73 GLU CA . 10267 1 848 . 1 1 73 73 GLU CB C 13 30.390 0.300 . 1 . . . . 73 GLU CB . 10267 1 849 . 1 1 73 73 GLU CG C 13 36.047 0.300 . 1 . . . . 73 GLU CG . 10267 1 850 . 1 1 73 73 GLU N N 15 120.043 0.300 . 1 . . . . 73 GLU N . 10267 1 851 . 1 1 74 74 GLU H H 1 9.360 0.030 . 1 . . . . 74 GLU H . 10267 1 852 . 1 1 74 74 GLU HA H 1 4.403 0.030 . 1 . . . . 74 GLU HA . 10267 1 853 . 1 1 74 74 GLU HB2 H 1 2.333 0.030 . 2 . . . . 74 GLU HB2 . 10267 1 854 . 1 1 74 74 GLU HB3 H 1 2.087 0.030 . 2 . . . . 74 GLU HB3 . 10267 1 855 . 1 1 74 74 GLU HG2 H 1 2.502 0.030 . 2 . . . . 74 GLU HG2 . 10267 1 856 . 1 1 74 74 GLU HG3 H 1 2.479 0.030 . 2 . . . . 74 GLU HG3 . 10267 1 857 . 1 1 74 74 GLU C C 13 178.234 0.300 . 1 . . . . 74 GLU C . 10267 1 858 . 1 1 74 74 GLU CA C 13 56.516 0.300 . 1 . . . . 74 GLU CA . 10267 1 859 . 1 1 74 74 GLU CB C 13 30.390 0.300 . 1 . . . . 74 GLU CB . 10267 1 860 . 1 1 74 74 GLU CG C 13 36.633 0.300 . 1 . . . . 74 GLU CG . 10267 1 861 . 1 1 74 74 GLU N N 15 122.193 0.300 . 1 . . . . 74 GLU N . 10267 1 862 . 1 1 75 75 HIS H H 1 9.553 0.030 . 1 . . . . 75 HIS H . 10267 1 863 . 1 1 75 75 HIS HA H 1 4.080 0.030 . 1 . . . . 75 HIS HA . 10267 1 864 . 1 1 75 75 HIS HB2 H 1 3.381 0.030 . 2 . . . . 75 HIS HB2 . 10267 1 865 . 1 1 75 75 HIS HB3 H 1 3.301 0.030 . 2 . . . . 75 HIS HB3 . 10267 1 866 . 1 1 75 75 HIS HD2 H 1 7.028 0.030 . 1 . . . . 75 HIS HD2 . 10267 1 867 . 1 1 75 75 HIS HE1 H 1 7.688 0.030 . 1 . . . . 75 HIS HE1 . 10267 1 868 . 1 1 75 75 HIS C C 13 175.985 0.300 . 1 . . . . 75 HIS C . 10267 1 869 . 1 1 75 75 HIS CA C 13 61.016 0.300 . 1 . . . . 75 HIS CA . 10267 1 870 . 1 1 75 75 HIS CB C 13 29.468 0.300 . 1 . . . . 75 HIS CB . 10267 1 871 . 1 1 75 75 HIS CD2 C 13 124.901 0.300 . 1 . . . . 75 HIS CD2 . 10267 1 872 . 1 1 75 75 HIS CE1 C 13 137.924 0.300 . 1 . . . . 75 HIS CE1 . 10267 1 873 . 1 1 75 75 HIS N N 15 123.587 0.300 . 1 . . . . 75 HIS N . 10267 1 874 . 1 1 76 76 ALA H H 1 9.129 0.030 . 1 . . . . 76 ALA H . 10267 1 875 . 1 1 76 76 ALA HA H 1 3.826 0.030 . 1 . . . . 76 ALA HA . 10267 1 876 . 1 1 76 76 ALA HB1 H 1 1.458 0.030 . 1 . . . . 76 ALA HB . 10267 1 877 . 1 1 76 76 ALA HB2 H 1 1.458 0.030 . 1 . . . . 76 ALA HB . 10267 1 878 . 1 1 76 76 ALA HB3 H 1 1.458 0.030 . 1 . . . . 76 ALA HB . 10267 1 879 . 1 1 76 76 ALA C C 13 180.475 0.300 . 1 . . . . 76 ALA C . 10267 1 880 . 1 1 76 76 ALA CA C 13 55.392 0.300 . 1 . . . . 76 ALA CA . 10267 1 881 . 1 1 76 76 ALA CB C 13 18.182 0.300 . 1 . . . . 76 ALA CB . 10267 1 882 . 1 1 76 76 ALA N N 15 117.795 0.300 . 1 . . . . 76 ALA N . 10267 1 883 . 1 1 77 77 GLN H H 1 7.099 0.030 . 1 . . . . 77 GLN H . 10267 1 884 . 1 1 77 77 GLN HA H 1 4.198 0.030 . 1 . . . . 77 GLN HA . 10267 1 885 . 1 1 77 77 GLN HB2 H 1 2.236 0.030 . 2 . . . . 77 GLN HB2 . 10267 1 886 . 1 1 77 77 GLN HB3 H 1 2.089 0.030 . 2 . . . . 77 GLN HB3 . 10267 1 887 . 1 1 77 77 GLN HE21 H 1 7.431 0.030 . 2 . . . . 77 GLN HE21 . 10267 1 888 . 1 1 77 77 GLN HE22 H 1 6.814 0.030 . 2 . . . . 77 GLN HE22 . 10267 1 889 . 1 1 77 77 GLN HG2 H 1 2.491 0.030 . 2 . . . . 77 GLN HG2 . 10267 1 890 . 1 1 77 77 GLN HG3 H 1 2.301 0.030 . 2 . . . . 77 GLN HG3 . 10267 1 891 . 1 1 77 77 GLN C C 13 177.860 0.300 . 1 . . . . 77 GLN C . 10267 1 892 . 1 1 77 77 GLN CA C 13 57.790 0.300 . 1 . . . . 77 GLN CA . 10267 1 893 . 1 1 77 77 GLN CB C 13 28.536 0.300 . 1 . . . . 77 GLN CB . 10267 1 894 . 1 1 77 77 GLN CG C 13 33.725 0.300 . 1 . . . . 77 GLN CG . 10267 1 895 . 1 1 77 77 GLN N N 15 115.764 0.300 . 1 . . . . 77 GLN N . 10267 1 896 . 1 1 77 77 GLN NE2 N 15 111.433 0.300 . 1 . . . . 77 GLN NE2 . 10267 1 897 . 1 1 78 78 VAL H H 1 7.430 0.030 . 1 . . . . 78 VAL H . 10267 1 898 . 1 1 78 78 VAL HA H 1 3.241 0.030 . 1 . . . . 78 VAL HA . 10267 1 899 . 1 1 78 78 VAL HB H 1 1.705 0.030 . 1 . . . . 78 VAL HB . 10267 1 900 . 1 1 78 78 VAL HG11 H 1 0.427 0.030 . 1 . . . . 78 VAL HG1 . 10267 1 901 . 1 1 78 78 VAL HG12 H 1 0.427 0.030 . 1 . . . . 78 VAL HG1 . 10267 1 902 . 1 1 78 78 VAL HG13 H 1 0.427 0.030 . 1 . . . . 78 VAL HG1 . 10267 1 903 . 1 1 78 78 VAL HG21 H 1 0.124 0.030 . 1 . . . . 78 VAL HG2 . 10267 1 904 . 1 1 78 78 VAL HG22 H 1 0.124 0.030 . 1 . . . . 78 VAL HG2 . 10267 1 905 . 1 1 78 78 VAL HG23 H 1 0.124 0.030 . 1 . . . . 78 VAL HG2 . 10267 1 906 . 1 1 78 78 VAL C C 13 177.042 0.300 . 1 . . . . 78 VAL C . 10267 1 907 . 1 1 78 78 VAL CA C 13 67.299 0.300 . 1 . . . . 78 VAL CA . 10267 1 908 . 1 1 78 78 VAL CB C 13 30.819 0.300 . 1 . . . . 78 VAL CB . 10267 1 909 . 1 1 78 78 VAL CG1 C 13 21.726 0.300 . 2 . . . . 78 VAL CG1 . 10267 1 910 . 1 1 78 78 VAL CG2 C 13 22.467 0.300 . 2 . . . . 78 VAL CG2 . 10267 1 911 . 1 1 78 78 VAL N N 15 121.143 0.300 . 1 . . . . 78 VAL N . 10267 1 912 . 1 1 79 79 VAL H H 1 7.773 0.030 . 1 . . . . 79 VAL H . 10267 1 913 . 1 1 79 79 VAL HA H 1 3.315 0.030 . 1 . . . . 79 VAL HA . 10267 1 914 . 1 1 79 79 VAL HB H 1 1.831 0.030 . 1 . . . . 79 VAL HB . 10267 1 915 . 1 1 79 79 VAL HG11 H 1 0.587 0.030 . 1 . . . . 79 VAL HG1 . 10267 1 916 . 1 1 79 79 VAL HG12 H 1 0.587 0.030 . 1 . . . . 79 VAL HG1 . 10267 1 917 . 1 1 79 79 VAL HG13 H 1 0.587 0.030 . 1 . . . . 79 VAL HG1 . 10267 1 918 . 1 1 79 79 VAL HG21 H 1 0.848 0.030 . 1 . . . . 79 VAL HG2 . 10267 1 919 . 1 1 79 79 VAL HG22 H 1 0.848 0.030 . 1 . . . . 79 VAL HG2 . 10267 1 920 . 1 1 79 79 VAL HG23 H 1 0.848 0.030 . 1 . . . . 79 VAL HG2 . 10267 1 921 . 1 1 79 79 VAL C C 13 179.179 0.300 . 1 . . . . 79 VAL C . 10267 1 922 . 1 1 79 79 VAL CA C 13 66.694 0.300 . 1 . . . . 79 VAL CA . 10267 1 923 . 1 1 79 79 VAL CB C 13 31.841 0.300 . 1 . . . . 79 VAL CB . 10267 1 924 . 1 1 79 79 VAL CG1 C 13 22.364 0.300 . 2 . . . . 79 VAL CG1 . 10267 1 925 . 1 1 79 79 VAL CG2 C 13 21.233 0.300 . 2 . . . . 79 VAL CG2 . 10267 1 926 . 1 1 79 79 VAL N N 15 117.473 0.300 . 1 . . . . 79 VAL N . 10267 1 927 . 1 1 80 80 GLU H H 1 7.410 0.030 . 1 . . . . 80 GLU H . 10267 1 928 . 1 1 80 80 GLU HA H 1 4.258 0.030 . 1 . . . . 80 GLU HA . 10267 1 929 . 1 1 80 80 GLU HB2 H 1 2.094 0.030 . 2 . . . . 80 GLU HB2 . 10267 1 930 . 1 1 80 80 GLU HB3 H 1 1.986 0.030 . 2 . . . . 80 GLU HB3 . 10267 1 931 . 1 1 80 80 GLU HG2 H 1 2.364 0.030 . 2 . . . . 80 GLU HG2 . 10267 1 932 . 1 1 80 80 GLU HG3 H 1 2.201 0.030 . 2 . . . . 80 GLU HG3 . 10267 1 933 . 1 1 80 80 GLU C C 13 178.018 0.300 . 1 . . . . 80 GLU C . 10267 1 934 . 1 1 80 80 GLU CA C 13 58.566 0.300 . 1 . . . . 80 GLU CA . 10267 1 935 . 1 1 80 80 GLU CB C 13 29.072 0.300 . 1 . . . . 80 GLU CB . 10267 1 936 . 1 1 80 80 GLU CG C 13 35.403 0.300 . 1 . . . . 80 GLU CG . 10267 1 937 . 1 1 80 80 GLU N N 15 120.451 0.300 . 1 . . . . 80 GLU N . 10267 1 938 . 1 1 81 81 LEU H H 1 8.070 0.030 . 1 . . . . 81 LEU H . 10267 1 939 . 1 1 81 81 LEU HA H 1 3.976 0.030 . 1 . . . . 81 LEU HA . 10267 1 940 . 1 1 81 81 LEU HB2 H 1 2.015 0.030 . 2 . . . . 81 LEU HB2 . 10267 1 941 . 1 1 81 81 LEU HB3 H 1 1.233 0.030 . 2 . . . . 81 LEU HB3 . 10267 1 942 . 1 1 81 81 LEU HD11 H 1 0.782 0.030 . 1 . . . . 81 LEU HD1 . 10267 1 943 . 1 1 81 81 LEU HD12 H 1 0.782 0.030 . 1 . . . . 81 LEU HD1 . 10267 1 944 . 1 1 81 81 LEU HD13 H 1 0.782 0.030 . 1 . . . . 81 LEU HD1 . 10267 1 945 . 1 1 81 81 LEU HD21 H 1 0.828 0.030 . 1 . . . . 81 LEU HD2 . 10267 1 946 . 1 1 81 81 LEU HD22 H 1 0.828 0.030 . 1 . . . . 81 LEU HD2 . 10267 1 947 . 1 1 81 81 LEU HD23 H 1 0.828 0.030 . 1 . . . . 81 LEU HD2 . 10267 1 948 . 1 1 81 81 LEU HG H 1 1.846 0.030 . 1 . . . . 81 LEU HG . 10267 1 949 . 1 1 81 81 LEU C C 13 180.658 0.300 . 1 . . . . 81 LEU C . 10267 1 950 . 1 1 81 81 LEU CA C 13 58.061 0.300 . 1 . . . . 81 LEU CA . 10267 1 951 . 1 1 81 81 LEU CB C 13 42.115 0.300 . 1 . . . . 81 LEU CB . 10267 1 952 . 1 1 81 81 LEU CD1 C 13 25.784 0.300 . 2 . . . . 81 LEU CD1 . 10267 1 953 . 1 1 81 81 LEU CD2 C 13 22.515 0.300 . 2 . . . . 81 LEU CD2 . 10267 1 954 . 1 1 81 81 LEU CG C 13 26.800 0.300 . 1 . . . . 81 LEU CG . 10267 1 955 . 1 1 81 81 LEU N N 15 119.943 0.300 . 1 . . . . 81 LEU N . 10267 1 956 . 1 1 82 82 VAL H H 1 7.609 0.030 . 1 . . . . 82 VAL H . 10267 1 957 . 1 1 82 82 VAL HA H 1 3.474 0.030 . 1 . . . . 82 VAL HA . 10267 1 958 . 1 1 82 82 VAL HB H 1 2.242 0.030 . 1 . . . . 82 VAL HB . 10267 1 959 . 1 1 82 82 VAL HG11 H 1 0.982 0.030 . 1 . . . . 82 VAL HG1 . 10267 1 960 . 1 1 82 82 VAL HG12 H 1 0.982 0.030 . 1 . . . . 82 VAL HG1 . 10267 1 961 . 1 1 82 82 VAL HG13 H 1 0.982 0.030 . 1 . . . . 82 VAL HG1 . 10267 1 962 . 1 1 82 82 VAL HG21 H 1 0.960 0.030 . 1 . . . . 82 VAL HG2 . 10267 1 963 . 1 1 82 82 VAL HG22 H 1 0.960 0.030 . 1 . . . . 82 VAL HG2 . 10267 1 964 . 1 1 82 82 VAL HG23 H 1 0.960 0.030 . 1 . . . . 82 VAL HG2 . 10267 1 965 . 1 1 82 82 VAL C C 13 178.927 0.300 . 1 . . . . 82 VAL C . 10267 1 966 . 1 1 82 82 VAL CA C 13 67.398 0.300 . 1 . . . . 82 VAL CA . 10267 1 967 . 1 1 82 82 VAL CB C 13 31.306 0.300 . 1 . . . . 82 VAL CB . 10267 1 968 . 1 1 82 82 VAL CG1 C 13 23.130 0.300 . 2 . . . . 82 VAL CG1 . 10267 1 969 . 1 1 82 82 VAL CG2 C 13 21.718 0.300 . 2 . . . . 82 VAL CG2 . 10267 1 970 . 1 1 82 82 VAL N N 15 118.150 0.300 . 1 . . . . 82 VAL N . 10267 1 971 . 1 1 83 83 ARG H H 1 8.186 0.030 . 1 . . . . 83 ARG H . 10267 1 972 . 1 1 83 83 ARG HA H 1 3.994 0.030 . 1 . . . . 83 ARG HA . 10267 1 973 . 1 1 83 83 ARG HB2 H 1 2.007 0.030 . 2 . . . . 83 ARG HB2 . 10267 1 974 . 1 1 83 83 ARG HB3 H 1 1.928 0.030 . 2 . . . . 83 ARG HB3 . 10267 1 975 . 1 1 83 83 ARG HD2 H 1 3.297 0.030 . 2 . . . . 83 ARG HD2 . 10267 1 976 . 1 1 83 83 ARG HD3 H 1 3.098 0.030 . 2 . . . . 83 ARG HD3 . 10267 1 977 . 1 1 83 83 ARG HG2 H 1 1.736 0.030 . 2 . . . . 83 ARG HG2 . 10267 1 978 . 1 1 83 83 ARG HG3 H 1 1.560 0.030 . 2 . . . . 83 ARG HG3 . 10267 1 979 . 1 1 83 83 ARG C C 13 179.999 0.300 . 1 . . . . 83 ARG C . 10267 1 980 . 1 1 83 83 ARG CA C 13 60.205 0.300 . 1 . . . . 83 ARG CA . 10267 1 981 . 1 1 83 83 ARG CB C 13 30.103 0.300 . 1 . . . . 83 ARG CB . 10267 1 982 . 1 1 83 83 ARG CD C 13 43.006 0.300 . 1 . . . . 83 ARG CD . 10267 1 983 . 1 1 83 83 ARG CG C 13 27.135 0.300 . 1 . . . . 83 ARG CG . 10267 1 984 . 1 1 83 83 ARG N N 15 122.902 0.300 . 1 . . . . 83 ARG N . 10267 1 985 . 1 1 84 84 LYS H H 1 8.772 0.030 . 1 . . . . 84 LYS H . 10267 1 986 . 1 1 84 84 LYS HA H 1 4.047 0.030 . 1 . . . . 84 LYS HA . 10267 1 987 . 1 1 84 84 LYS HB2 H 1 1.897 0.030 . 1 . . . . 84 LYS HB2 . 10267 1 988 . 1 1 84 84 LYS HB3 H 1 1.897 0.030 . 1 . . . . 84 LYS HB3 . 10267 1 989 . 1 1 84 84 LYS HD2 H 1 1.658 0.030 . 1 . . . . 84 LYS HD2 . 10267 1 990 . 1 1 84 84 LYS HD3 H 1 1.658 0.030 . 1 . . . . 84 LYS HD3 . 10267 1 991 . 1 1 84 84 LYS HE2 H 1 2.980 0.030 . 1 . . . . 84 LYS HE2 . 10267 1 992 . 1 1 84 84 LYS HE3 H 1 2.980 0.030 . 1 . . . . 84 LYS HE3 . 10267 1 993 . 1 1 84 84 LYS HG2 H 1 1.627 0.030 . 2 . . . . 84 LYS HG2 . 10267 1 994 . 1 1 84 84 LYS HG3 H 1 1.505 0.030 . 2 . . . . 84 LYS HG3 . 10267 1 995 . 1 1 84 84 LYS C C 13 176.934 0.300 . 1 . . . . 84 LYS C . 10267 1 996 . 1 1 84 84 LYS CA C 13 58.142 0.300 . 1 . . . . 84 LYS CA . 10267 1 997 . 1 1 84 84 LYS CB C 13 32.492 0.300 . 1 . . . . 84 LYS CB . 10267 1 998 . 1 1 84 84 LYS CD C 13 29.206 0.300 . 1 . . . . 84 LYS CD . 10267 1 999 . 1 1 84 84 LYS CE C 13 42.134 0.300 . 1 . . . . 84 LYS CE . 10267 1 1000 . 1 1 84 84 LYS CG C 13 25.613 0.300 . 1 . . . . 84 LYS CG . 10267 1 1001 . 1 1 84 84 LYS N N 15 117.548 0.300 . 1 . . . . 84 LYS N . 10267 1 1002 . 1 1 85 85 SER H H 1 7.333 0.030 . 1 . . . . 85 SER H . 10267 1 1003 . 1 1 85 85 SER HA H 1 4.235 0.030 . 1 . . . . 85 SER HA . 10267 1 1004 . 1 1 85 85 SER HB2 H 1 4.141 0.030 . 2 . . . . 85 SER HB2 . 10267 1 1005 . 1 1 85 85 SER HB3 H 1 4.013 0.030 . 2 . . . . 85 SER HB3 . 10267 1 1006 . 1 1 85 85 SER C C 13 175.588 0.300 . 1 . . . . 85 SER C . 10267 1 1007 . 1 1 85 85 SER CA C 13 59.535 0.300 . 1 . . . . 85 SER CA . 10267 1 1008 . 1 1 85 85 SER CB C 13 63.571 0.300 . 1 . . . . 85 SER CB . 10267 1 1009 . 1 1 85 85 SER N N 15 113.544 0.300 . 1 . . . . 85 SER N . 10267 1 1010 . 1 1 86 86 GLY H H 1 7.459 0.030 . 1 . . . . 86 GLY H . 10267 1 1011 . 1 1 86 86 GLY HA2 H 1 4.176 0.030 . 2 . . . . 86 GLY HA2 . 10267 1 1012 . 1 1 86 86 GLY HA3 H 1 3.762 0.030 . 2 . . . . 86 GLY HA3 . 10267 1 1013 . 1 1 86 86 GLY C C 13 176.407 0.300 . 1 . . . . 86 GLY C . 10267 1 1014 . 1 1 86 86 GLY CA C 13 46.109 0.300 . 1 . . . . 86 GLY CA . 10267 1 1015 . 1 1 86 86 GLY N N 15 104.331 0.300 . 1 . . . . 86 GLY N . 10267 1 1016 . 1 1 87 87 ASN HA H 1 4.650 0.030 . 1 . . . . 87 ASN HA . 10267 1 1017 . 1 1 87 87 ASN HB2 H 1 3.664 0.030 . 2 . . . . 87 ASN HB2 . 10267 1 1018 . 1 1 87 87 ASN HB3 H 1 2.654 0.030 . 2 . . . . 87 ASN HB3 . 10267 1 1019 . 1 1 87 87 ASN HD21 H 1 7.577 0.030 . 2 . . . . 87 ASN HD21 . 10267 1 1020 . 1 1 87 87 ASN HD22 H 1 7.236 0.030 . 2 . . . . 87 ASN HD22 . 10267 1 1021 . 1 1 87 87 ASN C C 13 173.653 0.300 . 1 . . . . 87 ASN C . 10267 1 1022 . 1 1 87 87 ASN CA C 13 54.492 0.300 . 1 . . . . 87 ASN CA . 10267 1 1023 . 1 1 87 87 ASN CB C 13 38.425 0.300 . 1 . . . . 87 ASN CB . 10267 1 1024 . 1 1 87 87 ASN N N 15 118.401 0.300 . 1 . . . . 87 ASN N . 10267 1 1025 . 1 1 87 87 ASN ND2 N 15 113.475 0.300 . 1 . . . . 87 ASN ND2 . 10267 1 1026 . 1 1 88 88 SER H H 1 7.435 0.030 . 1 . . . . 88 SER H . 10267 1 1027 . 1 1 88 88 SER HA H 1 5.438 0.030 . 1 . . . . 88 SER HA . 10267 1 1028 . 1 1 88 88 SER HB2 H 1 3.889 0.030 . 1 . . . . 88 SER HB2 . 10267 1 1029 . 1 1 88 88 SER HB3 H 1 3.889 0.030 . 1 . . . . 88 SER HB3 . 10267 1 1030 . 1 1 88 88 SER C C 13 172.867 0.300 . 1 . . . . 88 SER C . 10267 1 1031 . 1 1 88 88 SER CA C 13 58.160 0.300 . 1 . . . . 88 SER CA . 10267 1 1032 . 1 1 88 88 SER CB C 13 65.861 0.300 . 1 . . . . 88 SER CB . 10267 1 1033 . 1 1 88 88 SER N N 15 113.765 0.300 . 1 . . . . 88 SER N . 10267 1 1034 . 1 1 89 89 VAL H H 1 8.452 0.030 . 1 . . . . 89 VAL H . 10267 1 1035 . 1 1 89 89 VAL HA H 1 4.519 0.030 . 1 . . . . 89 VAL HA . 10267 1 1036 . 1 1 89 89 VAL HB H 1 2.172 0.030 . 1 . . . . 89 VAL HB . 10267 1 1037 . 1 1 89 89 VAL HG11 H 1 0.900 0.030 . 1 . . . . 89 VAL HG1 . 10267 1 1038 . 1 1 89 89 VAL HG12 H 1 0.900 0.030 . 1 . . . . 89 VAL HG1 . 10267 1 1039 . 1 1 89 89 VAL HG13 H 1 0.900 0.030 . 1 . . . . 89 VAL HG1 . 10267 1 1040 . 1 1 89 89 VAL HG21 H 1 0.398 0.030 . 1 . . . . 89 VAL HG2 . 10267 1 1041 . 1 1 89 89 VAL HG22 H 1 0.398 0.030 . 1 . . . . 89 VAL HG2 . 10267 1 1042 . 1 1 89 89 VAL HG23 H 1 0.398 0.030 . 1 . . . . 89 VAL HG2 . 10267 1 1043 . 1 1 89 89 VAL C C 13 171.391 0.300 . 1 . . . . 89 VAL C . 10267 1 1044 . 1 1 89 89 VAL CA C 13 61.333 0.300 . 1 . . . . 89 VAL CA . 10267 1 1045 . 1 1 89 89 VAL CB C 13 33.897 0.300 . 1 . . . . 89 VAL CB . 10267 1 1046 . 1 1 89 89 VAL CG1 C 13 22.640 0.300 . 2 . . . . 89 VAL CG1 . 10267 1 1047 . 1 1 89 89 VAL CG2 C 13 19.679 0.300 . 2 . . . . 89 VAL CG2 . 10267 1 1048 . 1 1 89 89 VAL N N 15 120.001 0.300 . 1 . . . . 89 VAL N . 10267 1 1049 . 1 1 90 90 THR H H 1 8.348 0.030 . 1 . . . . 90 THR H . 10267 1 1050 . 1 1 90 90 THR HA H 1 5.042 0.030 . 1 . . . . 90 THR HA . 10267 1 1051 . 1 1 90 90 THR HB H 1 4.088 0.030 . 1 . . . . 90 THR HB . 10267 1 1052 . 1 1 90 90 THR HG21 H 1 0.991 0.030 . 1 . . . . 90 THR HG2 . 10267 1 1053 . 1 1 90 90 THR HG22 H 1 0.991 0.030 . 1 . . . . 90 THR HG2 . 10267 1 1054 . 1 1 90 90 THR HG23 H 1 0.991 0.030 . 1 . . . . 90 THR HG2 . 10267 1 1055 . 1 1 90 90 THR C C 13 173.926 0.300 . 1 . . . . 90 THR C . 10267 1 1056 . 1 1 90 90 THR CA C 13 61.403 0.300 . 1 . . . . 90 THR CA . 10267 1 1057 . 1 1 90 90 THR CB C 13 69.553 0.300 . 1 . . . . 90 THR CB . 10267 1 1058 . 1 1 90 90 THR CG2 C 13 22.441 0.300 . 1 . . . . 90 THR CG2 . 10267 1 1059 . 1 1 90 90 THR N N 15 123.477 0.300 . 1 . . . . 90 THR N . 10267 1 1060 . 1 1 91 91 LEU H H 1 9.195 0.030 . 1 . . . . 91 LEU H . 10267 1 1061 . 1 1 91 91 LEU HA H 1 5.161 0.030 . 1 . . . . 91 LEU HA . 10267 1 1062 . 1 1 91 91 LEU HB2 H 1 1.501 0.030 . 2 . . . . 91 LEU HB2 . 10267 1 1063 . 1 1 91 91 LEU HB3 H 1 1.096 0.030 . 2 . . . . 91 LEU HB3 . 10267 1 1064 . 1 1 91 91 LEU HD11 H 1 0.405 0.030 . 1 . . . . 91 LEU HD1 . 10267 1 1065 . 1 1 91 91 LEU HD12 H 1 0.405 0.030 . 1 . . . . 91 LEU HD1 . 10267 1 1066 . 1 1 91 91 LEU HD13 H 1 0.405 0.030 . 1 . . . . 91 LEU HD1 . 10267 1 1067 . 1 1 91 91 LEU HD21 H 1 0.659 0.030 . 1 . . . . 91 LEU HD2 . 10267 1 1068 . 1 1 91 91 LEU HD22 H 1 0.659 0.030 . 1 . . . . 91 LEU HD2 . 10267 1 1069 . 1 1 91 91 LEU HD23 H 1 0.659 0.030 . 1 . . . . 91 LEU HD2 . 10267 1 1070 . 1 1 91 91 LEU HG H 1 1.442 0.030 . 1 . . . . 91 LEU HG . 10267 1 1071 . 1 1 91 91 LEU C C 13 174.564 0.300 . 1 . . . . 91 LEU C . 10267 1 1072 . 1 1 91 91 LEU CA C 13 52.590 0.300 . 1 . . . . 91 LEU CA . 10267 1 1073 . 1 1 91 91 LEU CB C 13 44.998 0.300 . 1 . . . . 91 LEU CB . 10267 1 1074 . 1 1 91 91 LEU CD1 C 13 26.454 0.300 . 2 . . . . 91 LEU CD1 . 10267 1 1075 . 1 1 91 91 LEU CD2 C 13 25.071 0.300 . 2 . . . . 91 LEU CD2 . 10267 1 1076 . 1 1 91 91 LEU CG C 13 26.785 0.300 . 1 . . . . 91 LEU CG . 10267 1 1077 . 1 1 91 91 LEU N N 15 128.419 0.300 . 1 . . . . 91 LEU N . 10267 1 1078 . 1 1 92 92 LEU H H 1 8.644 0.030 . 1 . . . . 92 LEU H . 10267 1 1079 . 1 1 92 92 LEU HA H 1 5.335 0.030 . 1 . . . . 92 LEU HA . 10267 1 1080 . 1 1 92 92 LEU HB2 H 1 1.831 0.030 . 2 . . . . 92 LEU HB2 . 10267 1 1081 . 1 1 92 92 LEU HB3 H 1 1.525 0.030 . 2 . . . . 92 LEU HB3 . 10267 1 1082 . 1 1 92 92 LEU HD11 H 1 0.963 0.030 . 1 . . . . 92 LEU HD1 . 10267 1 1083 . 1 1 92 92 LEU HD12 H 1 0.963 0.030 . 1 . . . . 92 LEU HD1 . 10267 1 1084 . 1 1 92 92 LEU HD13 H 1 0.963 0.030 . 1 . . . . 92 LEU HD1 . 10267 1 1085 . 1 1 92 92 LEU HD21 H 1 0.843 0.030 . 1 . . . . 92 LEU HD2 . 10267 1 1086 . 1 1 92 92 LEU HD22 H 1 0.843 0.030 . 1 . . . . 92 LEU HD2 . 10267 1 1087 . 1 1 92 92 LEU HD23 H 1 0.843 0.030 . 1 . . . . 92 LEU HD2 . 10267 1 1088 . 1 1 92 92 LEU HG H 1 1.324 0.030 . 1 . . . . 92 LEU HG . 10267 1 1089 . 1 1 92 92 LEU C C 13 176.451 0.300 . 1 . . . . 92 LEU C . 10267 1 1090 . 1 1 92 92 LEU CA C 13 54.220 0.300 . 1 . . . . 92 LEU CA . 10267 1 1091 . 1 1 92 92 LEU CB C 13 44.323 0.300 . 1 . . . . 92 LEU CB . 10267 1 1092 . 1 1 92 92 LEU CD1 C 13 26.471 0.300 . 2 . . . . 92 LEU CD1 . 10267 1 1093 . 1 1 92 92 LEU CD2 C 13 23.289 0.300 . 2 . . . . 92 LEU CD2 . 10267 1 1094 . 1 1 92 92 LEU CG C 13 27.814 0.300 . 1 . . . . 92 LEU CG . 10267 1 1095 . 1 1 92 92 LEU N N 15 125.894 0.300 . 1 . . . . 92 LEU N . 10267 1 1096 . 1 1 93 93 VAL H H 1 9.249 0.030 . 1 . . . . 93 VAL H . 10267 1 1097 . 1 1 93 93 VAL HA H 1 5.573 0.030 . 1 . . . . 93 VAL HA . 10267 1 1098 . 1 1 93 93 VAL HB H 1 1.880 0.030 . 1 . . . . 93 VAL HB . 10267 1 1099 . 1 1 93 93 VAL HG11 H 1 0.613 0.030 . 1 . . . . 93 VAL HG1 . 10267 1 1100 . 1 1 93 93 VAL HG12 H 1 0.613 0.030 . 1 . . . . 93 VAL HG1 . 10267 1 1101 . 1 1 93 93 VAL HG13 H 1 0.613 0.030 . 1 . . . . 93 VAL HG1 . 10267 1 1102 . 1 1 93 93 VAL HG21 H 1 0.812 0.030 . 1 . . . . 93 VAL HG2 . 10267 1 1103 . 1 1 93 93 VAL HG22 H 1 0.812 0.030 . 1 . . . . 93 VAL HG2 . 10267 1 1104 . 1 1 93 93 VAL HG23 H 1 0.812 0.030 . 1 . . . . 93 VAL HG2 . 10267 1 1105 . 1 1 93 93 VAL C C 13 173.550 0.300 . 1 . . . . 93 VAL C . 10267 1 1106 . 1 1 93 93 VAL CA C 13 58.340 0.300 . 1 . . . . 93 VAL CA . 10267 1 1107 . 1 1 93 93 VAL CB C 13 36.159 0.300 . 1 . . . . 93 VAL CB . 10267 1 1108 . 1 1 93 93 VAL CG1 C 13 21.789 0.300 . 2 . . . . 93 VAL CG1 . 10267 1 1109 . 1 1 93 93 VAL CG2 C 13 18.069 0.300 . 2 . . . . 93 VAL CG2 . 10267 1 1110 . 1 1 93 93 VAL N N 15 120.660 0.300 . 1 . . . . 93 VAL N . 10267 1 1111 . 1 1 94 94 LEU H H 1 8.634 0.030 . 1 . . . . 94 LEU H . 10267 1 1112 . 1 1 94 94 LEU HA H 1 4.911 0.030 . 1 . . . . 94 LEU HA . 10267 1 1113 . 1 1 94 94 LEU HB2 H 1 1.821 0.030 . 2 . . . . 94 LEU HB2 . 10267 1 1114 . 1 1 94 94 LEU HB3 H 1 1.274 0.030 . 2 . . . . 94 LEU HB3 . 10267 1 1115 . 1 1 94 94 LEU HD11 H 1 0.951 0.030 . 1 . . . . 94 LEU HD1 . 10267 1 1116 . 1 1 94 94 LEU HD12 H 1 0.951 0.030 . 1 . . . . 94 LEU HD1 . 10267 1 1117 . 1 1 94 94 LEU HD13 H 1 0.951 0.030 . 1 . . . . 94 LEU HD1 . 10267 1 1118 . 1 1 94 94 LEU HD21 H 1 0.705 0.030 . 1 . . . . 94 LEU HD2 . 10267 1 1119 . 1 1 94 94 LEU HD22 H 1 0.705 0.030 . 1 . . . . 94 LEU HD2 . 10267 1 1120 . 1 1 94 94 LEU HD23 H 1 0.705 0.030 . 1 . . . . 94 LEU HD2 . 10267 1 1121 . 1 1 94 94 LEU HG H 1 2.012 0.030 . 1 . . . . 94 LEU HG . 10267 1 1122 . 1 1 94 94 LEU C C 13 174.172 0.300 . 1 . . . . 94 LEU C . 10267 1 1123 . 1 1 94 94 LEU CA C 13 52.659 0.300 . 1 . . . . 94 LEU CA . 10267 1 1124 . 1 1 94 94 LEU CB C 13 47.910 0.300 . 1 . . . . 94 LEU CB . 10267 1 1125 . 1 1 94 94 LEU CD1 C 13 23.673 0.300 . 2 . . . . 94 LEU CD1 . 10267 1 1126 . 1 1 94 94 LEU CD2 C 13 26.201 0.300 . 2 . . . . 94 LEU CD2 . 10267 1 1127 . 1 1 94 94 LEU CG C 13 26.770 0.300 . 1 . . . . 94 LEU CG . 10267 1 1128 . 1 1 94 94 LEU N N 15 120.304 0.300 . 1 . . . . 94 LEU N . 10267 1 1129 . 1 1 95 95 ASP H H 1 8.210 0.030 . 1 . . . . 95 ASP H . 10267 1 1130 . 1 1 95 95 ASP HA H 1 5.190 0.030 . 1 . . . . 95 ASP HA . 10267 1 1131 . 1 1 95 95 ASP HB2 H 1 2.918 0.030 . 2 . . . . 95 ASP HB2 . 10267 1 1132 . 1 1 95 95 ASP HB3 H 1 2.563 0.030 . 2 . . . . 95 ASP HB3 . 10267 1 1133 . 1 1 95 95 ASP C C 13 175.887 0.300 . 1 . . . . 95 ASP C . 10267 1 1134 . 1 1 95 95 ASP CA C 13 53.899 0.300 . 1 . . . . 95 ASP CA . 10267 1 1135 . 1 1 95 95 ASP CB C 13 41.188 0.300 . 1 . . . . 95 ASP CB . 10267 1 1136 . 1 1 95 95 ASP N N 15 122.184 0.300 . 1 . . . . 95 ASP N . 10267 1 1137 . 1 1 96 96 GLY H H 1 8.478 0.030 . 1 . . . . 96 GLY H . 10267 1 1138 . 1 1 96 96 GLY HA2 H 1 4.002 0.030 . 2 . . . . 96 GLY HA2 . 10267 1 1139 . 1 1 96 96 GLY HA3 H 1 3.757 0.030 . 2 . . . . 96 GLY HA3 . 10267 1 1140 . 1 1 96 96 GLY C C 13 175.497 0.300 . 1 . . . . 96 GLY C . 10267 1 1141 . 1 1 96 96 GLY CA C 13 49.944 0.300 . 1 . . . . 96 GLY CA . 10267 1 1142 . 1 1 96 96 GLY N N 15 108.610 0.300 . 1 . . . . 96 GLY N . 10267 1 1143 . 1 1 97 97 ASP H H 1 8.401 0.030 . 1 . . . . 97 ASP H . 10267 1 1144 . 1 1 97 97 ASP HA H 1 4.454 0.030 . 1 . . . . 97 ASP HA . 10267 1 1145 . 1 1 97 97 ASP HB2 H 1 2.745 0.030 . 2 . . . . 97 ASP HB2 . 10267 1 1146 . 1 1 97 97 ASP HB3 H 1 2.673 0.030 . 2 . . . . 97 ASP HB3 . 10267 1 1147 . 1 1 97 97 ASP C C 13 179.612 0.300 . 1 . . . . 97 ASP C . 10267 1 1148 . 1 1 97 97 ASP CA C 13 57.913 0.300 . 1 . . . . 97 ASP CA . 10267 1 1149 . 1 1 97 97 ASP CB C 13 41.145 0.300 . 1 . . . . 97 ASP CB . 10267 1 1150 . 1 1 97 97 ASP N N 15 120.034 0.300 . 1 . . . . 97 ASP N . 10267 1 1151 . 1 1 98 98 SER H H 1 8.152 0.030 . 1 . . . . 98 SER H . 10267 1 1152 . 1 1 98 98 SER HA H 1 4.218 0.030 . 1 . . . . 98 SER HA . 10267 1 1153 . 1 1 98 98 SER HB2 H 1 3.973 0.030 . 2 . . . . 98 SER HB2 . 10267 1 1154 . 1 1 98 98 SER HB3 H 1 3.726 0.030 . 2 . . . . 98 SER HB3 . 10267 1 1155 . 1 1 98 98 SER C C 13 175.061 0.300 . 1 . . . . 98 SER C . 10267 1 1156 . 1 1 98 98 SER CA C 13 62.180 0.300 . 1 . . . . 98 SER CA . 10267 1 1157 . 1 1 98 98 SER CB C 13 62.179 0.300 . 1 . . . . 98 SER CB . 10267 1 1158 . 1 1 98 98 SER N N 15 117.174 0.300 . 1 . . . . 98 SER N . 10267 1 1159 . 1 1 99 99 TYR H H 1 9.051 0.030 . 1 . . . . 99 TYR H . 10267 1 1160 . 1 1 99 99 TYR HA H 1 3.692 0.030 . 1 . . . . 99 TYR HA . 10267 1 1161 . 1 1 99 99 TYR HB2 H 1 3.146 0.030 . 2 . . . . 99 TYR HB2 . 10267 1 1162 . 1 1 99 99 TYR HB3 H 1 2.631 0.030 . 2 . . . . 99 TYR HB3 . 10267 1 1163 . 1 1 99 99 TYR HD1 H 1 6.655 0.030 . 1 . . . . 99 TYR HD1 . 10267 1 1164 . 1 1 99 99 TYR HD2 H 1 6.655 0.030 . 1 . . . . 99 TYR HD2 . 10267 1 1165 . 1 1 99 99 TYR HE1 H 1 6.524 0.030 . 1 . . . . 99 TYR HE1 . 10267 1 1166 . 1 1 99 99 TYR HE2 H 1 6.524 0.030 . 1 . . . . 99 TYR HE2 . 10267 1 1167 . 1 1 99 99 TYR C C 13 176.460 0.300 . 1 . . . . 99 TYR C . 10267 1 1168 . 1 1 99 99 TYR CA C 13 62.814 0.300 . 1 . . . . 99 TYR CA . 10267 1 1169 . 1 1 99 99 TYR CB C 13 38.829 0.300 . 1 . . . . 99 TYR CB . 10267 1 1170 . 1 1 99 99 TYR CD1 C 13 131.949 0.300 . 1 . . . . 99 TYR CD1 . 10267 1 1171 . 1 1 99 99 TYR CD2 C 13 131.949 0.300 . 1 . . . . 99 TYR CD2 . 10267 1 1172 . 1 1 99 99 TYR CE1 C 13 118.932 0.300 . 1 . . . . 99 TYR CE1 . 10267 1 1173 . 1 1 99 99 TYR CE2 C 13 118.932 0.300 . 1 . . . . 99 TYR CE2 . 10267 1 1174 . 1 1 99 99 TYR N N 15 123.539 0.300 . 1 . . . . 99 TYR N . 10267 1 1175 . 1 1 100 100 GLU H H 1 8.520 0.030 . 1 . . . . 100 GLU H . 10267 1 1176 . 1 1 100 100 GLU HA H 1 3.952 0.030 . 1 . . . . 100 GLU HA . 10267 1 1177 . 1 1 100 100 GLU HB2 H 1 2.252 0.030 . 2 . . . . 100 GLU HB2 . 10267 1 1178 . 1 1 100 100 GLU HB3 H 1 2.091 0.030 . 2 . . . . 100 GLU HB3 . 10267 1 1179 . 1 1 100 100 GLU HG2 H 1 2.832 0.030 . 2 . . . . 100 GLU HG2 . 10267 1 1180 . 1 1 100 100 GLU HG3 H 1 2.372 0.030 . 2 . . . . 100 GLU HG3 . 10267 1 1181 . 1 1 100 100 GLU C C 13 180.151 0.300 . 1 . . . . 100 GLU C . 10267 1 1182 . 1 1 100 100 GLU CA C 13 60.099 0.300 . 1 . . . . 100 GLU CA . 10267 1 1183 . 1 1 100 100 GLU CB C 13 29.435 0.300 . 1 . . . . 100 GLU CB . 10267 1 1184 . 1 1 100 100 GLU CG C 13 37.335 0.300 . 1 . . . . 100 GLU CG . 10267 1 1185 . 1 1 100 100 GLU N N 15 117.082 0.300 . 1 . . . . 100 GLU N . 10267 1 1186 . 1 1 101 101 LYS H H 1 7.740 0.030 . 1 . . . . 101 LYS H . 10267 1 1187 . 1 1 101 101 LYS HA H 1 3.984 0.030 . 1 . . . . 101 LYS HA . 10267 1 1188 . 1 1 101 101 LYS HB2 H 1 2.026 0.030 . 1 . . . . 101 LYS HB2 . 10267 1 1189 . 1 1 101 101 LYS HB3 H 1 2.026 0.030 . 1 . . . . 101 LYS HB3 . 10267 1 1190 . 1 1 101 101 LYS HD2 H 1 1.688 0.030 . 1 . . . . 101 LYS HD2 . 10267 1 1191 . 1 1 101 101 LYS HD3 H 1 1.688 0.030 . 1 . . . . 101 LYS HD3 . 10267 1 1192 . 1 1 101 101 LYS HE2 H 1 2.951 0.030 . 1 . . . . 101 LYS HE2 . 10267 1 1193 . 1 1 101 101 LYS HE3 H 1 2.951 0.030 . 1 . . . . 101 LYS HE3 . 10267 1 1194 . 1 1 101 101 LYS HG2 H 1 1.652 0.030 . 2 . . . . 101 LYS HG2 . 10267 1 1195 . 1 1 101 101 LYS HG3 H 1 1.458 0.030 . 2 . . . . 101 LYS HG3 . 10267 1 1196 . 1 1 101 101 LYS C C 13 178.377 0.300 . 1 . . . . 101 LYS C . 10267 1 1197 . 1 1 101 101 LYS CA C 13 59.888 0.300 . 1 . . . . 101 LYS CA . 10267 1 1198 . 1 1 101 101 LYS CB C 13 32.821 0.300 . 1 . . . . 101 LYS CB . 10267 1 1199 . 1 1 101 101 LYS CD C 13 29.442 0.300 . 1 . . . . 101 LYS CD . 10267 1 1200 . 1 1 101 101 LYS CE C 13 42.134 0.300 . 1 . . . . 101 LYS CE . 10267 1 1201 . 1 1 101 101 LYS CG C 13 25.871 0.300 . 1 . . . . 101 LYS CG . 10267 1 1202 . 1 1 101 101 LYS N N 15 119.851 0.300 . 1 . . . . 101 LYS N . 10267 1 1203 . 1 1 102 102 ALA H H 1 8.538 0.030 . 1 . . . . 102 ALA H . 10267 1 1204 . 1 1 102 102 ALA HA H 1 3.632 0.030 . 1 . . . . 102 ALA HA . 10267 1 1205 . 1 1 102 102 ALA HB1 H 1 0.852 0.030 . 1 . . . . 102 ALA HB . 10267 1 1206 . 1 1 102 102 ALA HB2 H 1 0.852 0.030 . 1 . . . . 102 ALA HB . 10267 1 1207 . 1 1 102 102 ALA HB3 H 1 0.852 0.030 . 1 . . . . 102 ALA HB . 10267 1 1208 . 1 1 102 102 ALA C C 13 179.870 0.300 . 1 . . . . 102 ALA C . 10267 1 1209 . 1 1 102 102 ALA CA C 13 55.285 0.300 . 1 . . . . 102 ALA CA . 10267 1 1210 . 1 1 102 102 ALA CB C 13 17.163 0.300 . 1 . . . . 102 ALA CB . 10267 1 1211 . 1 1 102 102 ALA N N 15 124.176 0.300 . 1 . . . . 102 ALA N . 10267 1 1212 . 1 1 103 103 VAL H H 1 8.147 0.030 . 1 . . . . 103 VAL H . 10267 1 1213 . 1 1 103 103 VAL HA H 1 3.658 0.030 . 1 . . . . 103 VAL HA . 10267 1 1214 . 1 1 103 103 VAL HB H 1 1.940 0.030 . 1 . . . . 103 VAL HB . 10267 1 1215 . 1 1 103 103 VAL HG11 H 1 0.636 0.030 . 1 . . . . 103 VAL HG1 . 10267 1 1216 . 1 1 103 103 VAL HG12 H 1 0.636 0.030 . 1 . . . . 103 VAL HG1 . 10267 1 1217 . 1 1 103 103 VAL HG13 H 1 0.636 0.030 . 1 . . . . 103 VAL HG1 . 10267 1 1218 . 1 1 103 103 VAL HG21 H 1 0.831 0.030 . 1 . . . . 103 VAL HG2 . 10267 1 1219 . 1 1 103 103 VAL HG22 H 1 0.831 0.030 . 1 . . . . 103 VAL HG2 . 10267 1 1220 . 1 1 103 103 VAL HG23 H 1 0.831 0.030 . 1 . . . . 103 VAL HG2 . 10267 1 1221 . 1 1 103 103 VAL C C 13 181.113 0.300 . 1 . . . . 103 VAL C . 10267 1 1222 . 1 1 103 103 VAL CA C 13 66.090 0.300 . 1 . . . . 103 VAL CA . 10267 1 1223 . 1 1 103 103 VAL CB C 13 31.822 0.300 . 1 . . . . 103 VAL CB . 10267 1 1224 . 1 1 103 103 VAL CG1 C 13 22.602 0.300 . 2 . . . . 103 VAL CG1 . 10267 1 1225 . 1 1 103 103 VAL CG2 C 13 21.165 0.300 . 2 . . . . 103 VAL CG2 . 10267 1 1226 . 1 1 103 103 VAL N N 15 117.841 0.300 . 1 . . . . 103 VAL N . 10267 1 1227 . 1 1 104 104 LYS H H 1 7.903 0.030 . 1 . . . . 104 LYS H . 10267 1 1228 . 1 1 104 104 LYS HA H 1 4.065 0.030 . 1 . . . . 104 LYS HA . 10267 1 1229 . 1 1 104 104 LYS HB2 H 1 1.932 0.030 . 1 . . . . 104 LYS HB2 . 10267 1 1230 . 1 1 104 104 LYS HB3 H 1 1.932 0.030 . 1 . . . . 104 LYS HB3 . 10267 1 1231 . 1 1 104 104 LYS HD2 H 1 1.668 0.030 . 2 . . . . 104 LYS HD2 . 10267 1 1232 . 1 1 104 104 LYS HE2 H 1 2.975 0.030 . 2 . . . . 104 LYS HE2 . 10267 1 1233 . 1 1 104 104 LYS HG2 H 1 1.554 0.030 . 2 . . . . 104 LYS HG2 . 10267 1 1234 . 1 1 104 104 LYS HG3 H 1 1.488 0.030 . 2 . . . . 104 LYS HG3 . 10267 1 1235 . 1 1 104 104 LYS C C 13 177.715 0.300 . 1 . . . . 104 LYS C . 10267 1 1236 . 1 1 104 104 LYS CA C 13 59.094 0.300 . 1 . . . . 104 LYS CA . 10267 1 1237 . 1 1 104 104 LYS CB C 13 32.285 0.300 . 1 . . . . 104 LYS CB . 10267 1 1238 . 1 1 104 104 LYS CD C 13 29.277 0.300 . 1 . . . . 104 LYS CD . 10267 1 1239 . 1 1 104 104 LYS CE C 13 42.052 0.300 . 1 . . . . 104 LYS CE . 10267 1 1240 . 1 1 104 104 LYS CG C 13 25.147 0.300 . 1 . . . . 104 LYS CG . 10267 1 1241 . 1 1 104 104 LYS N N 15 121.515 0.300 . 1 . . . . 104 LYS N . 10267 1 1242 . 1 1 105 105 ASN H H 1 7.747 0.030 . 1 . . . . 105 ASN H . 10267 1 1243 . 1 1 105 105 ASN HA H 1 4.721 0.030 . 1 . . . . 105 ASN HA . 10267 1 1244 . 1 1 105 105 ASN HB2 H 1 2.975 0.030 . 2 . . . . 105 ASN HB2 . 10267 1 1245 . 1 1 105 105 ASN HB3 H 1 2.630 0.030 . 2 . . . . 105 ASN HB3 . 10267 1 1246 . 1 1 105 105 ASN HD21 H 1 7.722 0.030 . 2 . . . . 105 ASN HD21 . 10267 1 1247 . 1 1 105 105 ASN HD22 H 1 7.150 0.030 . 2 . . . . 105 ASN HD22 . 10267 1 1248 . 1 1 105 105 ASN C C 13 173.320 0.300 . 1 . . . . 105 ASN C . 10267 1 1249 . 1 1 105 105 ASN CA C 13 53.399 0.300 . 1 . . . . 105 ASN CA . 10267 1 1250 . 1 1 105 105 ASN CB C 13 39.249 0.300 . 1 . . . . 105 ASN CB . 10267 1 1251 . 1 1 105 105 ASN N N 15 114.941 0.300 . 1 . . . . 105 ASN N . 10267 1 1252 . 1 1 105 105 ASN ND2 N 15 113.179 0.300 . 1 . . . . 105 ASN ND2 . 10267 1 1253 . 1 1 106 106 GLN H H 1 7.850 0.030 . 1 . . . . 106 GLN H . 10267 1 1254 . 1 1 106 106 GLN HA H 1 3.902 0.030 . 1 . . . . 106 GLN HA . 10267 1 1255 . 1 1 106 106 GLN HB2 H 1 2.244 0.030 . 2 . . . . 106 GLN HB2 . 10267 1 1256 . 1 1 106 106 GLN HB3 H 1 2.184 0.030 . 2 . . . . 106 GLN HB3 . 10267 1 1257 . 1 1 106 106 GLN HE21 H 1 7.529 0.030 . 2 . . . . 106 GLN HE21 . 10267 1 1258 . 1 1 106 106 GLN HE22 H 1 6.771 0.030 . 2 . . . . 106 GLN HE22 . 10267 1 1259 . 1 1 106 106 GLN HG2 H 1 2.250 0.030 . 1 . . . . 106 GLN HG2 . 10267 1 1260 . 1 1 106 106 GLN HG3 H 1 2.250 0.030 . 1 . . . . 106 GLN HG3 . 10267 1 1261 . 1 1 106 106 GLN C C 13 175.168 0.300 . 1 . . . . 106 GLN C . 10267 1 1262 . 1 1 106 106 GLN CA C 13 56.978 0.300 . 1 . . . . 106 GLN CA . 10267 1 1263 . 1 1 106 106 GLN CB C 13 25.770 0.300 . 1 . . . . 106 GLN CB . 10267 1 1264 . 1 1 106 106 GLN CG C 13 34.469 0.300 . 1 . . . . 106 GLN CG . 10267 1 1265 . 1 1 106 106 GLN N N 15 114.989 0.300 . 1 . . . . 106 GLN N . 10267 1 1266 . 1 1 106 106 GLN NE2 N 15 112.562 0.300 . 1 . . . . 106 GLN NE2 . 10267 1 1267 . 1 1 107 107 VAL H H 1 8.005 0.030 . 1 . . . . 107 VAL H . 10267 1 1268 . 1 1 107 107 VAL HA H 1 3.664 0.030 . 1 . . . . 107 VAL HA . 10267 1 1269 . 1 1 107 107 VAL HB H 1 1.573 0.030 . 1 . . . . 107 VAL HB . 10267 1 1270 . 1 1 107 107 VAL HG11 H 1 0.887 0.030 . 1 . . . . 107 VAL HG1 . 10267 1 1271 . 1 1 107 107 VAL HG12 H 1 0.887 0.030 . 1 . . . . 107 VAL HG1 . 10267 1 1272 . 1 1 107 107 VAL HG13 H 1 0.887 0.030 . 1 . . . . 107 VAL HG1 . 10267 1 1273 . 1 1 107 107 VAL HG21 H 1 0.617 0.030 . 1 . . . . 107 VAL HG2 . 10267 1 1274 . 1 1 107 107 VAL HG22 H 1 0.617 0.030 . 1 . . . . 107 VAL HG2 . 10267 1 1275 . 1 1 107 107 VAL HG23 H 1 0.617 0.030 . 1 . . . . 107 VAL HG2 . 10267 1 1276 . 1 1 107 107 VAL C C 13 175.468 0.300 . 1 . . . . 107 VAL C . 10267 1 1277 . 1 1 107 107 VAL CA C 13 62.726 0.300 . 1 . . . . 107 VAL CA . 10267 1 1278 . 1 1 107 107 VAL CB C 13 32.535 0.300 . 1 . . . . 107 VAL CB . 10267 1 1279 . 1 1 107 107 VAL CG1 C 13 22.725 0.300 . 2 . . . . 107 VAL CG1 . 10267 1 1280 . 1 1 107 107 VAL CG2 C 13 20.624 0.300 . 2 . . . . 107 VAL CG2 . 10267 1 1281 . 1 1 107 107 VAL N N 15 120.216 0.300 . 1 . . . . 107 VAL N . 10267 1 1282 . 1 1 108 108 ASP H H 1 8.484 0.030 . 1 . . . . 108 ASP H . 10267 1 1283 . 1 1 108 108 ASP HA H 1 4.467 0.030 . 1 . . . . 108 ASP HA . 10267 1 1284 . 1 1 108 108 ASP HB2 H 1 2.818 0.030 . 2 . . . . 108 ASP HB2 . 10267 1 1285 . 1 1 108 108 ASP HB3 H 1 2.521 0.030 . 2 . . . . 108 ASP HB3 . 10267 1 1286 . 1 1 108 108 ASP C C 13 177.179 0.300 . 1 . . . . 108 ASP C . 10267 1 1287 . 1 1 108 108 ASP CA C 13 53.417 0.300 . 1 . . . . 108 ASP CA . 10267 1 1288 . 1 1 108 108 ASP CB C 13 40.030 0.300 . 1 . . . . 108 ASP CB . 10267 1 1289 . 1 1 108 108 ASP N N 15 125.414 0.300 . 1 . . . . 108 ASP N . 10267 1 1290 . 1 1 109 109 LEU H H 1 8.470 0.030 . 1 . . . . 109 LEU H . 10267 1 1291 . 1 1 109 109 LEU HA H 1 3.846 0.030 . 1 . . . . 109 LEU HA . 10267 1 1292 . 1 1 109 109 LEU HB2 H 1 2.032 0.030 . 2 . . . . 109 LEU HB2 . 10267 1 1293 . 1 1 109 109 LEU HB3 H 1 1.620 0.030 . 2 . . . . 109 LEU HB3 . 10267 1 1294 . 1 1 109 109 LEU HD11 H 1 0.729 0.030 . 1 . . . . 109 LEU HD1 . 10267 1 1295 . 1 1 109 109 LEU HD12 H 1 0.729 0.030 . 1 . . . . 109 LEU HD1 . 10267 1 1296 . 1 1 109 109 LEU HD13 H 1 0.729 0.030 . 1 . . . . 109 LEU HD1 . 10267 1 1297 . 1 1 109 109 LEU HD21 H 1 0.470 0.030 . 1 . . . . 109 LEU HD2 . 10267 1 1298 . 1 1 109 109 LEU HD22 H 1 0.470 0.030 . 1 . . . . 109 LEU HD2 . 10267 1 1299 . 1 1 109 109 LEU HD23 H 1 0.470 0.030 . 1 . . . . 109 LEU HD2 . 10267 1 1300 . 1 1 109 109 LEU HG H 1 1.665 0.030 . 1 . . . . 109 LEU HG . 10267 1 1301 . 1 1 109 109 LEU C C 13 178.145 0.300 . 1 . . . . 109 LEU C . 10267 1 1302 . 1 1 109 109 LEU CA C 13 56.573 0.300 . 1 . . . . 109 LEU CA . 10267 1 1303 . 1 1 109 109 LEU CB C 13 42.011 0.300 . 1 . . . . 109 LEU CB . 10267 1 1304 . 1 1 109 109 LEU CD1 C 13 26.770 0.300 . 2 . . . . 109 LEU CD1 . 10267 1 1305 . 1 1 109 109 LEU CD2 C 13 22.910 0.300 . 2 . . . . 109 LEU CD2 . 10267 1 1306 . 1 1 109 109 LEU CG C 13 26.795 0.300 . 1 . . . . 109 LEU CG . 10267 1 1307 . 1 1 109 109 LEU N N 15 127.577 0.300 . 1 . . . . 109 LEU N . 10267 1 1308 . 1 1 110 110 LYS H H 1 8.062 0.030 . 1 . . . . 110 LYS H . 10267 1 1309 . 1 1 110 110 LYS HA H 1 3.022 0.030 . 1 . . . . 110 LYS HA . 10267 1 1310 . 1 1 110 110 LYS HB2 H 1 1.253 0.030 . 2 . . . . 110 LYS HB2 . 10267 1 1311 . 1 1 110 110 LYS HB3 H 1 1.179 0.030 . 2 . . . . 110 LYS HB3 . 10267 1 1312 . 1 1 110 110 LYS HD2 H 1 1.384 0.030 . 1 . . . . 110 LYS HD2 . 10267 1 1313 . 1 1 110 110 LYS HD3 H 1 1.384 0.030 . 1 . . . . 110 LYS HD3 . 10267 1 1314 . 1 1 110 110 LYS HE2 H 1 2.820 0.030 . 2 . . . . 110 LYS HE2 . 10267 1 1315 . 1 1 110 110 LYS HG2 H 1 0.516 0.030 . 2 . . . . 110 LYS HG2 . 10267 1 1316 . 1 1 110 110 LYS HG3 H 1 0.381 0.030 . 2 . . . . 110 LYS HG3 . 10267 1 1317 . 1 1 110 110 LYS C C 13 177.248 0.300 . 1 . . . . 110 LYS C . 10267 1 1318 . 1 1 110 110 LYS CA C 13 58.742 0.300 . 1 . . . . 110 LYS CA . 10267 1 1319 . 1 1 110 110 LYS CB C 13 31.667 0.300 . 1 . . . . 110 LYS CB . 10267 1 1320 . 1 1 110 110 LYS CD C 13 29.034 0.300 . 1 . . . . 110 LYS CD . 10267 1 1321 . 1 1 110 110 LYS CE C 13 41.557 0.300 . 1 . . . . 110 LYS CE . 10267 1 1322 . 1 1 110 110 LYS CG C 13 24.365 0.300 . 1 . . . . 110 LYS CG . 10267 1 1323 . 1 1 110 110 LYS N N 15 118.873 0.300 . 1 . . . . 110 LYS N . 10267 1 1324 . 1 1 111 111 GLU H H 1 7.113 0.030 . 1 . . . . 111 GLU H . 10267 1 1325 . 1 1 111 111 GLU HA H 1 4.117 0.030 . 1 . . . . 111 GLU HA . 10267 1 1326 . 1 1 111 111 GLU HB2 H 1 2.167 0.030 . 2 . . . . 111 GLU HB2 . 10267 1 1327 . 1 1 111 111 GLU HB3 H 1 1.782 0.030 . 2 . . . . 111 GLU HB3 . 10267 1 1328 . 1 1 111 111 GLU HG2 H 1 2.206 0.030 . 2 . . . . 111 GLU HG2 . 10267 1 1329 . 1 1 111 111 GLU HG3 H 1 2.032 0.030 . 2 . . . . 111 GLU HG3 . 10267 1 1330 . 1 1 111 111 GLU C C 13 176.519 0.300 . 1 . . . . 111 GLU C . 10267 1 1331 . 1 1 111 111 GLU CA C 13 55.621 0.300 . 1 . . . . 111 GLU CA . 10267 1 1332 . 1 1 111 111 GLU CB C 13 29.943 0.300 . 1 . . . . 111 GLU CB . 10267 1 1333 . 1 1 111 111 GLU CG C 13 36.060 0.300 . 1 . . . . 111 GLU CG . 10267 1 1334 . 1 1 111 111 GLU N N 15 114.282 0.300 . 1 . . . . 111 GLU N . 10267 1 1335 . 1 1 112 112 LEU H H 1 6.848 0.030 . 1 . . . . 112 LEU H . 10267 1 1336 . 1 1 112 112 LEU HA H 1 4.293 0.030 . 1 . . . . 112 LEU HA . 10267 1 1337 . 1 1 112 112 LEU HB2 H 1 1.677 0.030 . 2 . . . . 112 LEU HB2 . 10267 1 1338 . 1 1 112 112 LEU HB3 H 1 1.331 0.030 . 2 . . . . 112 LEU HB3 . 10267 1 1339 . 1 1 112 112 LEU HD11 H 1 0.784 0.030 . 1 . . . . 112 LEU HD1 . 10267 1 1340 . 1 1 112 112 LEU HD12 H 1 0.784 0.030 . 1 . . . . 112 LEU HD1 . 10267 1 1341 . 1 1 112 112 LEU HD13 H 1 0.784 0.030 . 1 . . . . 112 LEU HD1 . 10267 1 1342 . 1 1 112 112 LEU HD21 H 1 0.814 0.030 . 1 . . . . 112 LEU HD2 . 10267 1 1343 . 1 1 112 112 LEU HD22 H 1 0.814 0.030 . 1 . . . . 112 LEU HD2 . 10267 1 1344 . 1 1 112 112 LEU HD23 H 1 0.814 0.030 . 1 . . . . 112 LEU HD2 . 10267 1 1345 . 1 1 112 112 LEU HG H 1 1.671 0.030 . 1 . . . . 112 LEU HG . 10267 1 1346 . 1 1 112 112 LEU C C 13 175.674 0.300 . 1 . . . . 112 LEU C . 10267 1 1347 . 1 1 112 112 LEU CA C 13 55.197 0.300 . 1 . . . . 112 LEU CA . 10267 1 1348 . 1 1 112 112 LEU CB C 13 41.681 0.300 . 1 . . . . 112 LEU CB . 10267 1 1349 . 1 1 112 112 LEU CD1 C 13 26.415 0.300 . 2 . . . . 112 LEU CD1 . 10267 1 1350 . 1 1 112 112 LEU CD2 C 13 23.916 0.300 . 2 . . . . 112 LEU CD2 . 10267 1 1351 . 1 1 112 112 LEU CG C 13 26.951 0.300 . 1 . . . . 112 LEU CG . 10267 1 1352 . 1 1 112 112 LEU N N 15 118.934 0.300 . 1 . . . . 112 LEU N . 10267 1 1353 . 1 1 113 113 ASP H H 1 8.466 0.030 . 1 . . . . 113 ASP H . 10267 1 1354 . 1 1 113 113 ASP HA H 1 4.593 0.030 . 1 . . . . 113 ASP HA . 10267 1 1355 . 1 1 113 113 ASP HB2 H 1 2.651 0.030 . 2 . . . . 113 ASP HB2 . 10267 1 1356 . 1 1 113 113 ASP HB3 H 1 2.528 0.030 . 2 . . . . 113 ASP HB3 . 10267 1 1357 . 1 1 113 113 ASP C C 13 174.511 0.300 . 1 . . . . 113 ASP C . 10267 1 1358 . 1 1 113 113 ASP CA C 13 53.558 0.300 . 1 . . . . 113 ASP CA . 10267 1 1359 . 1 1 113 113 ASP CB C 13 42.448 0.300 . 1 . . . . 113 ASP CB . 10267 1 1360 . 1 1 113 113 ASP N N 15 122.148 0.300 . 1 . . . . 113 ASP N . 10267 1 1361 . 1 1 114 114 GLN H H 1 8.119 0.030 . 1 . . . . 114 GLN H . 10267 1 1362 . 1 1 114 114 GLN HA H 1 4.097 0.030 . 1 . . . . 114 GLN HA . 10267 1 1363 . 1 1 114 114 GLN HB2 H 1 1.984 0.030 . 2 . . . . 114 GLN HB2 . 10267 1 1364 . 1 1 114 114 GLN HB3 H 1 1.924 0.030 . 2 . . . . 114 GLN HB3 . 10267 1 1365 . 1 1 114 114 GLN HE21 H 1 7.616 0.030 . 2 . . . . 114 GLN HE21 . 10267 1 1366 . 1 1 114 114 GLN HE22 H 1 6.771 0.030 . 2 . . . . 114 GLN HE22 . 10267 1 1367 . 1 1 114 114 GLN HG2 H 1 2.240 0.030 . 1 . . . . 114 GLN HG2 . 10267 1 1368 . 1 1 114 114 GLN HG3 H 1 2.240 0.030 . 1 . . . . 114 GLN HG3 . 10267 1 1369 . 1 1 114 114 GLN C C 13 180.341 0.300 . 1 . . . . 114 GLN C . 10267 1 1370 . 1 1 114 114 GLN CA C 13 57.454 0.300 . 1 . . . . 114 GLN CA . 10267 1 1371 . 1 1 114 114 GLN CB C 13 30.395 0.300 . 1 . . . . 114 GLN CB . 10267 1 1372 . 1 1 114 114 GLN CG C 13 34.315 0.300 . 1 . . . . 114 GLN CG . 10267 1 1373 . 1 1 114 114 GLN N N 15 123.906 0.300 . 1 . . . . 114 GLN N . 10267 1 1374 . 1 1 114 114 GLN NE2 N 15 112.963 0.300 . 1 . . . . 114 GLN NE2 . 10267 1 stop_ save_