data_19700 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19700 _Entry.Title ; Spatial structure of P33A mutant of non-conventional toxin WTX from Naja kaouthia ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-12-23 _Entry.Accession_date 2013-12-23 _Entry.Last_release_date 2014-12-22 _Entry.Original_release_date 2014-12-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 Alexander Paramonov . S. . 19700 2 Zakhar Shenkarev . O. . 19700 3 Ekaterina Lyukmanova . N. . 19700 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 'not applicable' 'not applicable' . 19700 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'muscarinic acetylcholine receptors' . 19700 'nicotonic acetylcholine receptors' . 19700 'non-conventional toxin' . 19700 'weak toxin' . 19700 WTX . 19700 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19700 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 74 19700 '1H chemical shifts' 460 19700 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 . . 2014-12-22 2013-12-23 original author . 19700 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MJ0 'BMRB Entry Tracking System' 19700 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 19700 _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 'Interaction of Weak Toxin from Naja kaouthia with Muscarinic Acetylcholine Receptors: Mutagenesis, NMR and Modeling Study' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be Published' _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 Alexander Paramonov . S. . 19700 1 2 Zakhar Shenkarev . O. . 19700 1 3 Ekaterina Lyukmanova . N. . 19700 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19700 _Assembly.ID 1 _Assembly.Name 'P33A mutant of non-conventional toxin WTX from Naja kaouthia' _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 'P33A mutant of non-conventional toxin WTX' 1 $P33A_WTX A . yes native no no . . . 19700 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 P33A_WTX 1 CYS 4 4 SG . 1 P33A_WTX 1 CYS 25 25 SG . P33A_WTX 103 CYS SG . P33A_WTX 124 CYS SG 19700 1 2 disulfide single . 1 P33A_WTX 1 CYS 7 7 SG . 1 P33A_WTX 1 CYS 12 12 SG . P33A_WTX 106 CYS SG . P33A_WTX 111 CYS SG 19700 1 3 disulfide single . 1 P33A_WTX 1 CYS 18 18 SG . 1 P33A_WTX 1 CYS 43 43 SG . P33A_WTX 117 CYS SG . P33A_WTX 142 CYS SG 19700 1 4 disulfide single . 1 P33A_WTX 1 CYS 47 47 SG . 1 P33A_WTX 1 CYS 58 58 SG . P33A_WTX 146 CYS SG . P33A_WTX 157 CYS SG 19700 1 5 disulfide single . 1 P33A_WTX 1 CYS 59 59 SG . 1 P33A_WTX 1 CYS 64 64 SG . P33A_WTX 158 CYS SG . P33A_WTX 163 CYS SG 19700 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_P33A_WTX _Entity.Sf_category entity _Entity.Sf_framecode P33A_WTX _Entity.Entry_ID 19700 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name WTX[P33A] _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MLTCLNCPEMFCGKFQICRN GEKICFKKLHQRRALSWRYI RGCADTCPVGKPYEMIECCS TDKCNR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 100,M 101,L ; _Entity.Polymer_author_seq_details 'Met residue at the N-terminus is non-native and were added due to bacterial expression.' _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 66 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation P33A _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7742.275 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 yes UNP P25679 . TXW9A_NAJKA . . . . . . . . . . . . . . 19700 1 2 no SP P82935 . "RecName: Full=Tryptophan-containing weak neurotoxin; Short=WTX; Flags: Precursor" . . . . . 98.48 86 98.46 98.46 3.20e-39 . . . . 19700 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 1 100 MET . 19700 1 2 101 LEU . 19700 1 3 102 THR . 19700 1 4 103 CYS . 19700 1 5 104 LEU . 19700 1 6 105 ASN . 19700 1 7 106 CYS . 19700 1 8 107 PRO . 19700 1 9 108 GLU . 19700 1 10 109 MET . 19700 1 11 110 PHE . 19700 1 12 111 CYS . 19700 1 13 112 GLY . 19700 1 14 113 LYS . 19700 1 15 114 PHE . 19700 1 16 115 GLN . 19700 1 17 116 ILE . 19700 1 18 117 CYS . 19700 1 19 118 ARG . 19700 1 20 119 ASN . 19700 1 21 120 GLY . 19700 1 22 121 GLU . 19700 1 23 122 LYS . 19700 1 24 123 ILE . 19700 1 25 124 CYS . 19700 1 26 125 PHE . 19700 1 27 126 LYS . 19700 1 28 127 LYS . 19700 1 29 128 LEU . 19700 1 30 129 HIS . 19700 1 31 130 GLN . 19700 1 32 131 ARG . 19700 1 33 132 ARG . 19700 1 34 133 ALA . 19700 1 35 134 LEU . 19700 1 36 135 SER . 19700 1 37 136 TRP . 19700 1 38 137 ARG . 19700 1 39 138 TYR . 19700 1 40 139 ILE . 19700 1 41 140 ARG . 19700 1 42 141 GLY . 19700 1 43 142 CYS . 19700 1 44 143 ALA . 19700 1 45 144 ASP . 19700 1 46 145 THR . 19700 1 47 146 CYS . 19700 1 48 147 PRO . 19700 1 49 148 VAL . 19700 1 50 149 GLY . 19700 1 51 150 LYS . 19700 1 52 151 PRO . 19700 1 53 152 TYR . 19700 1 54 153 GLU . 19700 1 55 154 MET . 19700 1 56 155 ILE . 19700 1 57 156 GLU . 19700 1 58 157 CYS . 19700 1 59 158 CYS . 19700 1 60 159 SER . 19700 1 61 160 THR . 19700 1 62 161 ASP . 19700 1 63 162 LYS . 19700 1 64 163 CYS . 19700 1 65 164 ASN . 19700 1 66 165 ARG . 19700 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 . MET 1 1 19700 1 . LEU 2 2 19700 1 . THR 3 3 19700 1 . CYS 4 4 19700 1 . LEU 5 5 19700 1 . ASN 6 6 19700 1 . CYS 7 7 19700 1 . PRO 8 8 19700 1 . GLU 9 9 19700 1 . MET 10 10 19700 1 . PHE 11 11 19700 1 . CYS 12 12 19700 1 . GLY 13 13 19700 1 . LYS 14 14 19700 1 . PHE 15 15 19700 1 . GLN 16 16 19700 1 . ILE 17 17 19700 1 . CYS 18 18 19700 1 . ARG 19 19 19700 1 . ASN 20 20 19700 1 . GLY 21 21 19700 1 . GLU 22 22 19700 1 . LYS 23 23 19700 1 . ILE 24 24 19700 1 . CYS 25 25 19700 1 . PHE 26 26 19700 1 . LYS 27 27 19700 1 . LYS 28 28 19700 1 . LEU 29 29 19700 1 . HIS 30 30 19700 1 . GLN 31 31 19700 1 . ARG 32 32 19700 1 . ARG 33 33 19700 1 . ALA 34 34 19700 1 . LEU 35 35 19700 1 . SER 36 36 19700 1 . TRP 37 37 19700 1 . ARG 38 38 19700 1 . TYR 39 39 19700 1 . ILE 40 40 19700 1 . ARG 41 41 19700 1 . GLY 42 42 19700 1 . CYS 43 43 19700 1 . ALA 44 44 19700 1 . ASP 45 45 19700 1 . THR 46 46 19700 1 . CYS 47 47 19700 1 . PRO 48 48 19700 1 . VAL 49 49 19700 1 . GLY 50 50 19700 1 . LYS 51 51 19700 1 . PRO 52 52 19700 1 . TYR 53 53 19700 1 . GLU 54 54 19700 1 . MET 55 55 19700 1 . ILE 56 56 19700 1 . GLU 57 57 19700 1 . CYS 58 58 19700 1 . CYS 59 59 19700 1 . SER 60 60 19700 1 . THR 61 61 19700 1 . ASP 62 62 19700 1 . LYS 63 63 19700 1 . CYS 64 64 19700 1 . ASN 65 65 19700 1 . ARG 66 66 19700 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 19700 _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 $P33A_WTX . 8649 organism . 'Naja kaouthia' 'monocled cobra' . . Eukaryota Metazoa Naja kaouthia . . . . . . . . . . . . . . . . . . . . $citations 19700 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 19700 _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 $P33A_WTX . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET22b(+) . . . . . $citations 19700 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19700 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 WTX[P33A] '[U-99% 15N]' . . 1 $P33A_WTX . . 0.5 . . mM . . . . 19700 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19700 1 3 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 19700 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19700 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 WTX[P33A] '[U-99% 15N]' . . 1 $P33A_WTX . . 0.5 . . mM . . . . 19700 2 2 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 19700 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19700 _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' 0.01 . M 19700 1 pH 3.0 . pH 19700 1 pressure 1 . atm 19700 1 temperature 313 . K 19700 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19700 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19700 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19700 1 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 19700 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 19700 _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 . 700 . . . 19700 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 19700 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19700 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19700 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19700 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19700 1 5 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19700 1 6 '2D DQF-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19700 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19700 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . 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 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19700 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19700 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19700 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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 3 '3D 1H-15N TOCSY' . . . 19700 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.170 0.02 . 1 . . . A 100 MET HA . 19700 1 2 . 1 1 1 1 MET HB2 H 1 2.172 0.02 . 2 . . . A 100 MET HB2 . 19700 1 3 . 1 1 1 1 MET HB3 H 1 2.213 0.02 . 2 . . . A 100 MET HB3 . 19700 1 4 . 1 1 1 1 MET HG2 H 1 2.655 0.02 . 1 . . . A 100 MET HG2 . 19700 1 5 . 1 1 1 1 MET HG3 H 1 2.655 0.02 . 1 . . . A 100 MET HG3 . 19700 1 6 . 1 1 2 2 LEU H H 1 8.706 0.02 . 1 . . . A 101 LEU H . 19700 1 7 . 1 1 2 2 LEU HA H 1 4.722 0.02 . 1 . . . A 101 LEU HA . 19700 1 8 . 1 1 2 2 LEU HB2 H 1 1.426 0.02 . 1 . . . A 101 LEU HB2 . 19700 1 9 . 1 1 2 2 LEU HB3 H 1 1.550 0.02 . 1 . . . A 101 LEU HB3 . 19700 1 10 . 1 1 2 2 LEU HG H 1 1.510 0.02 . 1 . . . A 101 LEU HG . 19700 1 11 . 1 1 2 2 LEU HD11 H 1 0.745 0.02 . 2 . . . A 101 LEU HD11 . 19700 1 12 . 1 1 2 2 LEU HD12 H 1 0.745 0.02 . 2 . . . A 101 LEU HD12 . 19700 1 13 . 1 1 2 2 LEU HD13 H 1 0.745 0.02 . 2 . . . A 101 LEU HD13 . 19700 1 14 . 1 1 2 2 LEU HD21 H 1 0.825 0.02 . 2 . . . A 101 LEU HD21 . 19700 1 15 . 1 1 2 2 LEU HD22 H 1 0.825 0.02 . 2 . . . A 101 LEU HD22 . 19700 1 16 . 1 1 2 2 LEU HD23 H 1 0.825 0.02 . 2 . . . A 101 LEU HD23 . 19700 1 17 . 1 1 2 2 LEU N N 15 128.488 0.10 . 1 . . . A 101 LEU N . 19700 1 18 . 1 1 3 3 THR H H 1 7.729 0.02 . 1 . . . A 102 THR H . 19700 1 19 . 1 1 3 3 THR HA H 1 5.198 0.02 . 1 . . . A 102 THR HA . 19700 1 20 . 1 1 3 3 THR HB H 1 3.756 0.02 . 1 . . . A 102 THR HB . 19700 1 21 . 1 1 3 3 THR HG21 H 1 1.056 0.02 . 1 . . . A 102 THR HG21 . 19700 1 22 . 1 1 3 3 THR HG22 H 1 1.056 0.02 . 1 . . . A 102 THR HG22 . 19700 1 23 . 1 1 3 3 THR HG23 H 1 1.056 0.02 . 1 . . . A 102 THR HG23 . 19700 1 24 . 1 1 3 3 THR N N 15 117.086 0.10 . 1 . . . A 102 THR N . 19700 1 25 . 1 1 4 4 CYS H H 1 8.514 0.02 . 1 . . . A 103 CYS H . 19700 1 26 . 1 1 4 4 CYS HA H 1 5.128 0.02 . 1 . . . A 103 CYS HA . 19700 1 27 . 1 1 4 4 CYS HB2 H 1 2.645 0.02 . 1 . . . A 103 CYS HB2 . 19700 1 28 . 1 1 4 4 CYS HB3 H 1 2.892 0.02 . 1 . . . A 103 CYS HB3 . 19700 1 29 . 1 1 4 4 CYS N N 15 119.021 0.10 . 1 . . . A 103 CYS N . 19700 1 30 . 1 1 5 5 LEU H H 1 9.147 0.02 . 1 . . . A 104 LEU H . 19700 1 31 . 1 1 5 5 LEU HA H 1 4.811 0.02 . 1 . . . A 104 LEU HA . 19700 1 32 . 1 1 5 5 LEU HB2 H 1 1.553 0.02 . 1 . . . A 104 LEU HB2 . 19700 1 33 . 1 1 5 5 LEU HB3 H 1 1.553 0.02 . 1 . . . A 104 LEU HB3 . 19700 1 34 . 1 1 5 5 LEU HG H 1 1.539 0.02 . 1 . . . A 104 LEU HG . 19700 1 35 . 1 1 5 5 LEU HD11 H 1 0.863 0.02 . 2 . . . A 104 LEU HD11 . 19700 1 36 . 1 1 5 5 LEU HD12 H 1 0.863 0.02 . 2 . . . A 104 LEU HD12 . 19700 1 37 . 1 1 5 5 LEU HD13 H 1 0.863 0.02 . 2 . . . A 104 LEU HD13 . 19700 1 38 . 1 1 5 5 LEU HD21 H 1 0.906 0.02 . 2 . . . A 104 LEU HD21 . 19700 1 39 . 1 1 5 5 LEU HD22 H 1 0.906 0.02 . 2 . . . A 104 LEU HD22 . 19700 1 40 . 1 1 5 5 LEU HD23 H 1 0.906 0.02 . 2 . . . A 104 LEU HD23 . 19700 1 41 . 1 1 5 5 LEU N N 15 123.028 0.10 . 1 . . . A 104 LEU N . 19700 1 42 . 1 1 6 6 ASN H H 1 8.611 0.02 . 1 . . . A 105 ASN H . 19700 1 43 . 1 1 6 6 ASN HA H 1 4.806 0.02 . 1 . . . A 105 ASN HA . 19700 1 44 . 1 1 6 6 ASN HB2 H 1 3.059 0.02 . 2 . . . A 105 ASN HB2 . 19700 1 45 . 1 1 6 6 ASN HB3 H 1 2.350 0.02 . 2 . . . A 105 ASN HB3 . 19700 1 46 . 1 1 6 6 ASN HD21 H 1 7.334 0.02 . 2 . . . A 105 ASN HD21 . 19700 1 47 . 1 1 6 6 ASN HD22 H 1 6.455 0.02 . 2 . . . A 105 ASN HD22 . 19700 1 48 . 1 1 6 6 ASN N N 15 119.029 0.10 . 1 . . . A 105 ASN N . 19700 1 49 . 1 1 6 6 ASN ND2 N 15 108.074 0.10 . 1 . . . A 105 ASN ND2 . 19700 1 50 . 1 1 7 7 CYS H H 1 7.210 0.02 . 1 . . . A 106 CYS H . 19700 1 51 . 1 1 7 7 CYS HA H 1 5.227 0.02 . 1 . . . A 106 CYS HA . 19700 1 52 . 1 1 7 7 CYS HB2 H 1 3.857 0.02 . 1 . . . A 106 CYS HB2 . 19700 1 53 . 1 1 7 7 CYS HB3 H 1 3.538 0.02 . 1 . . . A 106 CYS HB3 . 19700 1 54 . 1 1 7 7 CYS N N 15 117.427 0.10 . 1 . . . A 106 CYS N . 19700 1 55 . 1 1 8 8 PRO HA H 1 5.064 0.02 . 1 . . . A 107 PRO HA . 19700 1 56 . 1 1 8 8 PRO HB2 H 1 2.328 0.02 . 1 . . . A 107 PRO HB2 . 19700 1 57 . 1 1 8 8 PRO HB3 H 1 2.328 0.02 . 1 . . . A 107 PRO HB3 . 19700 1 58 . 1 1 8 8 PRO HG2 H 1 2.173 0.02 . 1 . . . A 107 PRO HG2 . 19700 1 59 . 1 1 8 8 PRO HG3 H 1 2.173 0.02 . 1 . . . A 107 PRO HG3 . 19700 1 60 . 1 1 8 8 PRO HD2 H 1 3.954 0.02 . 2 . . . A 107 PRO HD2 . 19700 1 61 . 1 1 8 8 PRO HD3 H 1 3.760 0.02 . 2 . . . A 107 PRO HD3 . 19700 1 62 . 1 1 9 9 GLU H H 1 7.777 0.02 . 1 . . . A 108 GLU H . 19700 1 63 . 1 1 9 9 GLU HA H 1 4.576 0.02 . 1 . . . A 108 GLU HA . 19700 1 64 . 1 1 9 9 GLU HB2 H 1 1.963 0.02 . 1 . . . A 108 GLU HB2 . 19700 1 65 . 1 1 9 9 GLU HB3 H 1 2.356 0.02 . 1 . . . A 108 GLU HB3 . 19700 1 66 . 1 1 9 9 GLU HG2 H 1 2.479 0.02 . 1 . . . A 108 GLU HG2 . 19700 1 67 . 1 1 9 9 GLU HG3 H 1 2.479 0.02 . 1 . . . A 108 GLU HG3 . 19700 1 68 . 1 1 9 9 GLU N N 15 119.996 0.10 . 1 . . . A 108 GLU N . 19700 1 69 . 1 1 10 10 MET H H 1 8.954 0.02 . 1 . . . A 109 MET H . 19700 1 70 . 1 1 10 10 MET HA H 1 3.879 0.02 . 1 . . . A 109 MET HA . 19700 1 71 . 1 1 10 10 MET HB2 H 1 2.097 0.02 . 2 . . . A 109 MET HB2 . 19700 1 72 . 1 1 10 10 MET HB3 H 1 1.979 0.02 . 2 . . . A 109 MET HB3 . 19700 1 73 . 1 1 10 10 MET HG2 H 1 2.147 0.02 . 1 . . . A 109 MET HG2 . 19700 1 74 . 1 1 10 10 MET HG3 H 1 2.147 0.02 . 1 . . . A 109 MET HG3 . 19700 1 75 . 1 1 10 10 MET N N 15 121.587 0.10 . 1 . . . A 109 MET N . 19700 1 76 . 1 1 11 11 PHE H H 1 7.943 0.02 . 1 . . . A 110 PHE H . 19700 1 77 . 1 1 11 11 PHE HA H 1 4.947 0.02 . 1 . . . A 110 PHE HA . 19700 1 78 . 1 1 11 11 PHE HB2 H 1 2.903 0.02 . 1 . . . A 110 PHE HB2 . 19700 1 79 . 1 1 11 11 PHE HB3 H 1 3.153 0.02 . 1 . . . A 110 PHE HB3 . 19700 1 80 . 1 1 11 11 PHE HD1 H 1 7.314 0.02 . 1 . . . A 110 PHE HD1 . 19700 1 81 . 1 1 11 11 PHE HD2 H 1 7.314 0.02 . 1 . . . A 110 PHE HD2 . 19700 1 82 . 1 1 11 11 PHE HE1 H 1 7.385 0.02 . 1 . . . A 110 PHE HE1 . 19700 1 83 . 1 1 11 11 PHE HE2 H 1 7.385 0.02 . 1 . . . A 110 PHE HE2 . 19700 1 84 . 1 1 11 11 PHE N N 15 114.224 0.10 . 1 . . . A 110 PHE N . 19700 1 85 . 1 1 12 12 CYS H H 1 8.141 0.02 . 1 . . . A 111 CYS H . 19700 1 86 . 1 1 12 12 CYS HA H 1 4.853 0.02 . 1 . . . A 111 CYS HA . 19700 1 87 . 1 1 12 12 CYS HB2 H 1 3.407 0.02 . 1 . . . A 111 CYS HB2 . 19700 1 88 . 1 1 12 12 CYS HB3 H 1 4.010 0.02 . 1 . . . A 111 CYS HB3 . 19700 1 89 . 1 1 12 12 CYS N N 15 117.718 0.10 . 1 . . . A 111 CYS N . 19700 1 90 . 1 1 13 13 GLY H H 1 8.738 0.02 . 1 . . . A 112 GLY H . 19700 1 91 . 1 1 13 13 GLY HA2 H 1 4.652 0.02 . 1 . . . A 112 GLY HA2 . 19700 1 92 . 1 1 13 13 GLY HA3 H 1 3.710 0.02 . 1 . . . A 112 GLY HA3 . 19700 1 93 . 1 1 13 13 GLY N N 15 106.232 0.10 . 1 . . . A 112 GLY N . 19700 1 94 . 1 1 14 14 LYS H H 1 7.064 0.02 . 1 . . . A 113 LYS H . 19700 1 95 . 1 1 14 14 LYS HA H 1 4.391 0.02 . 1 . . . A 113 LYS HA . 19700 1 96 . 1 1 14 14 LYS HB2 H 1 1.671 0.02 . 1 . . . A 113 LYS HB2 . 19700 1 97 . 1 1 14 14 LYS HB3 H 1 1.904 0.02 . 1 . . . A 113 LYS HB3 . 19700 1 98 . 1 1 14 14 LYS HG2 H 1 1.527 0.02 . 2 . . . A 113 LYS HG2 . 19700 1 99 . 1 1 14 14 LYS HG3 H 1 1.616 0.02 . 2 . . . A 113 LYS HG3 . 19700 1 100 . 1 1 14 14 LYS HD2 H 1 1.751 0.02 . 1 . . . A 113 LYS HD2 . 19700 1 101 . 1 1 14 14 LYS HD3 H 1 1.751 0.02 . 1 . . . A 113 LYS HD3 . 19700 1 102 . 1 1 14 14 LYS HE2 H 1 3.080 0.02 . 1 . . . A 113 LYS HE2 . 19700 1 103 . 1 1 14 14 LYS HE3 H 1 3.080 0.02 . 1 . . . A 113 LYS HE3 . 19700 1 104 . 1 1 14 14 LYS N N 15 123.354 0.10 . 1 . . . A 113 LYS N . 19700 1 105 . 1 1 15 15 PHE H H 1 7.823 0.02 . 1 . . . A 114 PHE H . 19700 1 106 . 1 1 15 15 PHE HA H 1 5.344 0.02 . 1 . . . A 114 PHE HA . 19700 1 107 . 1 1 15 15 PHE HB2 H 1 2.842 0.02 . 1 . . . A 114 PHE HB2 . 19700 1 108 . 1 1 15 15 PHE HB3 H 1 2.643 0.02 . 1 . . . A 114 PHE HB3 . 19700 1 109 . 1 1 15 15 PHE HD1 H 1 7.077 0.02 . 1 . . . A 114 PHE HD1 . 19700 1 110 . 1 1 15 15 PHE HD2 H 1 7.077 0.02 . 1 . . . A 114 PHE HD2 . 19700 1 111 . 1 1 15 15 PHE HE1 H 1 7.412 0.02 . 1 . . . A 114 PHE HE1 . 19700 1 112 . 1 1 15 15 PHE HE2 H 1 7.412 0.02 . 1 . . . A 114 PHE HE2 . 19700 1 113 . 1 1 15 15 PHE N N 15 117.507 0.10 . 1 . . . A 114 PHE N . 19700 1 114 . 1 1 16 16 GLN H H 1 9.044 0.02 . 1 . . . A 115 GLN H . 19700 1 115 . 1 1 16 16 GLN HA H 1 4.788 0.02 . 1 . . . A 115 GLN HA . 19700 1 116 . 1 1 16 16 GLN HB2 H 1 1.993 0.02 . 2 . . . A 115 GLN HB2 . 19700 1 117 . 1 1 16 16 GLN HB3 H 1 2.103 0.02 . 2 . . . A 115 GLN HB3 . 19700 1 118 . 1 1 16 16 GLN HG2 H 1 2.176 0.02 . 2 . . . A 115 GLN HG2 . 19700 1 119 . 1 1 16 16 GLN HG3 H 1 2.302 0.02 . 2 . . . A 115 GLN HG3 . 19700 1 120 . 1 1 16 16 GLN HE21 H 1 7.035 0.02 . 2 . . . A 115 GLN HE21 . 19700 1 121 . 1 1 16 16 GLN HE22 H 1 7.304 0.02 . 2 . . . A 115 GLN HE22 . 19700 1 122 . 1 1 16 16 GLN N N 15 117.426 0.10 . 1 . . . A 115 GLN N . 19700 1 123 . 1 1 16 16 GLN NE2 N 15 111.344 0.10 . 1 . . . A 115 GLN NE2 . 19700 1 124 . 1 1 17 17 ILE H H 1 8.705 0.02 . 1 . . . A 116 ILE H . 19700 1 125 . 1 1 17 17 ILE HA H 1 4.367 0.02 . 1 . . . A 116 ILE HA . 19700 1 126 . 1 1 17 17 ILE HB H 1 1.830 0.02 . 1 . . . A 116 ILE HB . 19700 1 127 . 1 1 17 17 ILE HG12 H 1 1.261 0.02 . 2 . . . A 116 ILE HG12 . 19700 1 128 . 1 1 17 17 ILE HG13 H 1 1.755 0.02 . 2 . . . A 116 ILE HG13 . 19700 1 129 . 1 1 17 17 ILE HG21 H 1 1.048 0.02 . 1 . . . A 116 ILE HG21 . 19700 1 130 . 1 1 17 17 ILE HG22 H 1 1.048 0.02 . 1 . . . A 116 ILE HG22 . 19700 1 131 . 1 1 17 17 ILE HG23 H 1 1.048 0.02 . 1 . . . A 116 ILE HG23 . 19700 1 132 . 1 1 17 17 ILE HD11 H 1 1.006 0.02 . 1 . . . A 116 ILE HD11 . 19700 1 133 . 1 1 17 17 ILE HD12 H 1 1.006 0.02 . 1 . . . A 116 ILE HD12 . 19700 1 134 . 1 1 17 17 ILE HD13 H 1 1.006 0.02 . 1 . . . A 116 ILE HD13 . 19700 1 135 . 1 1 17 17 ILE N N 15 124.941 0.10 . 1 . . . A 116 ILE N . 19700 1 136 . 1 1 18 18 CYS H H 1 9.103 0.02 . 1 . . . A 117 CYS H . 19700 1 137 . 1 1 18 18 CYS HA H 1 4.848 0.02 . 1 . . . A 117 CYS HA . 19700 1 138 . 1 1 18 18 CYS HB2 H 1 2.885 0.02 . 1 . . . A 117 CYS HB2 . 19700 1 139 . 1 1 18 18 CYS HB3 H 1 3.701 0.02 . 1 . . . A 117 CYS HB3 . 19700 1 140 . 1 1 18 18 CYS N N 15 127.674 0.10 . 1 . . . A 117 CYS N . 19700 1 141 . 1 1 19 19 ARG H H 1 8.396 0.02 . 1 . . . A 118 ARG H . 19700 1 142 . 1 1 19 19 ARG HA H 1 4.512 0.02 . 1 . . . A 118 ARG HA . 19700 1 143 . 1 1 19 19 ARG HB2 H 1 1.700 0.02 . 2 . . . A 118 ARG HB2 . 19700 1 144 . 1 1 19 19 ARG HB3 H 1 1.980 0.02 . 2 . . . A 118 ARG HB3 . 19700 1 145 . 1 1 19 19 ARG HG2 H 1 1.660 0.02 . 2 . . . A 118 ARG HG2 . 19700 1 146 . 1 1 19 19 ARG HG3 H 1 1.802 0.02 . 2 . . . A 118 ARG HG3 . 19700 1 147 . 1 1 19 19 ARG HD2 H 1 3.292 0.02 . 1 . . . A 118 ARG HD2 . 19700 1 148 . 1 1 19 19 ARG HD3 H 1 3.292 0.02 . 1 . . . A 118 ARG HD3 . 19700 1 149 . 1 1 19 19 ARG HE H 1 7.216 0.02 . 1 . . . A 118 ARG HE . 19700 1 150 . 1 1 19 19 ARG N N 15 120.976 0.10 . 1 . . . A 118 ARG N . 19700 1 151 . 1 1 19 19 ARG NE N 15 84.951 0.10 . 1 . . . A 118 ARG NE . 19700 1 152 . 1 1 20 20 ASN H H 1 8.836 0.02 . 1 . . . A 119 ASN H . 19700 1 153 . 1 1 20 20 ASN HA H 1 4.560 0.02 . 1 . . . A 119 ASN HA . 19700 1 154 . 1 1 20 20 ASN HB2 H 1 2.827 0.02 . 2 . . . A 119 ASN HB2 . 19700 1 155 . 1 1 20 20 ASN HB3 H 1 2.886 0.02 . 2 . . . A 119 ASN HB3 . 19700 1 156 . 1 1 20 20 ASN HD21 H 1 7.669 0.02 . 2 . . . A 119 ASN HD21 . 19700 1 157 . 1 1 20 20 ASN HD22 H 1 6.985 0.02 . 2 . . . A 119 ASN HD22 . 19700 1 158 . 1 1 20 20 ASN N N 15 119.240 0.10 . 1 . . . A 119 ASN N . 19700 1 159 . 1 1 20 20 ASN ND2 N 15 113.103 0.10 . 1 . . . A 119 ASN ND2 . 19700 1 160 . 1 1 21 21 GLY H H 1 8.755 0.02 . 1 . . . A 120 GLY H . 19700 1 161 . 1 1 21 21 GLY HA2 H 1 4.258 0.02 . 1 . . . A 120 GLY HA2 . 19700 1 162 . 1 1 21 21 GLY HA3 H 1 3.733 0.02 . 1 . . . A 120 GLY HA3 . 19700 1 163 . 1 1 21 21 GLY N N 15 111.230 0.10 . 1 . . . A 120 GLY N . 19700 1 164 . 1 1 22 22 GLU H H 1 8.158 0.02 . 1 . . . A 121 GLU H . 19700 1 165 . 1 1 22 22 GLU HA H 1 4.250 0.02 . 1 . . . A 121 GLU HA . 19700 1 166 . 1 1 22 22 GLU HB2 H 1 2.464 0.02 . 1 . . . A 121 GLU HB2 . 19700 1 167 . 1 1 22 22 GLU HB3 H 1 1.846 0.02 . 1 . . . A 121 GLU HB3 . 19700 1 168 . 1 1 22 22 GLU HG2 H 1 2.427 0.02 . 2 . . . A 121 GLU HG2 . 19700 1 169 . 1 1 22 22 GLU HG3 H 1 2.134 0.02 . 2 . . . A 121 GLU HG3 . 19700 1 170 . 1 1 22 22 GLU N N 15 119.650 0.10 . 1 . . . A 121 GLU N . 19700 1 171 . 1 1 23 23 LYS H H 1 7.622 0.02 . 1 . . . A 122 LYS H . 19700 1 172 . 1 1 23 23 LYS HA H 1 4.559 0.02 . 1 . . . A 122 LYS HA . 19700 1 173 . 1 1 23 23 LYS HB2 H 1 1.847 0.02 . 1 . . . A 122 LYS HB2 . 19700 1 174 . 1 1 23 23 LYS HB3 H 1 2.070 0.02 . 1 . . . A 122 LYS HB3 . 19700 1 175 . 1 1 23 23 LYS HG2 H 1 1.482 0.02 . 1 . . . A 122 LYS HG2 . 19700 1 176 . 1 1 23 23 LYS HG3 H 1 1.482 0.02 . 1 . . . A 122 LYS HG3 . 19700 1 177 . 1 1 23 23 LYS HD2 H 1 1.784 0.02 . 1 . . . A 122 LYS HD2 . 19700 1 178 . 1 1 23 23 LYS HD3 H 1 1.784 0.02 . 1 . . . A 122 LYS HD3 . 19700 1 179 . 1 1 23 23 LYS HE2 H 1 3.104 0.02 . 1 . . . A 122 LYS HE2 . 19700 1 180 . 1 1 23 23 LYS HE3 H 1 3.104 0.02 . 1 . . . A 122 LYS HE3 . 19700 1 181 . 1 1 23 23 LYS N N 15 120.471 0.10 . 1 . . . A 122 LYS N . 19700 1 182 . 1 1 24 24 ILE H H 1 8.142 0.02 . 1 . . . A 123 ILE H . 19700 1 183 . 1 1 24 24 ILE HA H 1 4.756 0.02 . 1 . . . A 123 ILE HA . 19700 1 184 . 1 1 24 24 ILE HB H 1 1.902 0.02 . 1 . . . A 123 ILE HB . 19700 1 185 . 1 1 24 24 ILE HG12 H 1 1.093 0.02 . 2 . . . A 123 ILE HG12 . 19700 1 186 . 1 1 24 24 ILE HG13 H 1 1.286 0.02 . 2 . . . A 123 ILE HG13 . 19700 1 187 . 1 1 24 24 ILE HG21 H 1 0.924 0.02 . 1 . . . A 123 ILE HG21 . 19700 1 188 . 1 1 24 24 ILE HG22 H 1 0.924 0.02 . 1 . . . A 123 ILE HG22 . 19700 1 189 . 1 1 24 24 ILE HG23 H 1 0.924 0.02 . 1 . . . A 123 ILE HG23 . 19700 1 190 . 1 1 24 24 ILE HD11 H 1 0.859 0.02 . 1 . . . A 123 ILE HD11 . 19700 1 191 . 1 1 24 24 ILE HD12 H 1 0.859 0.02 . 1 . . . A 123 ILE HD12 . 19700 1 192 . 1 1 24 24 ILE HD13 H 1 0.859 0.02 . 1 . . . A 123 ILE HD13 . 19700 1 193 . 1 1 24 24 ILE N N 15 118.223 0.10 . 1 . . . A 123 ILE N . 19700 1 194 . 1 1 25 25 CYS H H 1 9.196 0.02 . 1 . . . A 124 CYS H . 19700 1 195 . 1 1 25 25 CYS HA H 1 5.985 0.02 . 1 . . . A 124 CYS HA . 19700 1 196 . 1 1 25 25 CYS HB2 H 1 2.987 0.02 . 1 . . . A 124 CYS HB2 . 19700 1 197 . 1 1 25 25 CYS HB3 H 1 2.987 0.02 . 1 . . . A 124 CYS HB3 . 19700 1 198 . 1 1 25 25 CYS N N 15 118.872 0.10 . 1 . . . A 124 CYS N . 19700 1 199 . 1 1 26 26 PHE H H 1 8.958 0.02 . 1 . . . A 125 PHE H . 19700 1 200 . 1 1 26 26 PHE HA H 1 6.317 0.02 . 1 . . . A 125 PHE HA . 19700 1 201 . 1 1 26 26 PHE HB2 H 1 3.104 0.02 . 1 . . . A 125 PHE HB2 . 19700 1 202 . 1 1 26 26 PHE HB3 H 1 2.835 0.02 . 1 . . . A 125 PHE HB3 . 19700 1 203 . 1 1 26 26 PHE HD1 H 1 6.849 0.02 . 1 . . . A 125 PHE HD1 . 19700 1 204 . 1 1 26 26 PHE HD2 H 1 6.849 0.02 . 1 . . . A 125 PHE HD2 . 19700 1 205 . 1 1 26 26 PHE HE1 H 1 7.093 0.02 . 1 . . . A 125 PHE HE1 . 19700 1 206 . 1 1 26 26 PHE HE2 H 1 7.093 0.02 . 1 . . . A 125 PHE HE2 . 19700 1 207 . 1 1 26 26 PHE HZ H 1 7.241 0.02 . 1 . . . A 125 PHE HZ . 19700 1 208 . 1 1 26 26 PHE N N 15 116.458 0.10 . 1 . . . A 125 PHE N . 19700 1 209 . 1 1 27 27 LYS H H 1 9.109 0.02 . 1 . . . A 126 LYS H . 19700 1 210 . 1 1 27 27 LYS HA H 1 5.151 0.02 . 1 . . . A 126 LYS HA . 19700 1 211 . 1 1 27 27 LYS HB2 H 1 1.555 0.02 . 1 . . . A 126 LYS HB2 . 19700 1 212 . 1 1 27 27 LYS HB3 H 1 1.769 0.02 . 1 . . . A 126 LYS HB3 . 19700 1 213 . 1 1 27 27 LYS HG2 H 1 1.057 0.02 . 1 . . . A 126 LYS HG2 . 19700 1 214 . 1 1 27 27 LYS HG3 H 1 1.057 0.02 . 1 . . . A 126 LYS HG3 . 19700 1 215 . 1 1 27 27 LYS HD2 H 1 0.837 0.02 . 2 . . . A 126 LYS HD2 . 19700 1 216 . 1 1 27 27 LYS HD3 H 1 1.170 0.02 . 2 . . . A 126 LYS HD3 . 19700 1 217 . 1 1 27 27 LYS HE2 H 1 2.202 0.02 . 2 . . . A 126 LYS HE2 . 19700 1 218 . 1 1 27 27 LYS HE3 H 1 2.466 0.02 . 2 . . . A 126 LYS HE3 . 19700 1 219 . 1 1 27 27 LYS N N 15 125.559 0.10 . 1 . . . A 126 LYS N . 19700 1 220 . 1 1 28 28 LYS H H 1 9.498 0.02 . 1 . . . A 127 LYS H . 19700 1 221 . 1 1 28 28 LYS HA H 1 5.217 0.02 . 1 . . . A 127 LYS HA . 19700 1 222 . 1 1 28 28 LYS HB2 H 1 1.977 0.02 . 1 . . . A 127 LYS HB2 . 19700 1 223 . 1 1 28 28 LYS HB3 H 1 1.977 0.02 . 1 . . . A 127 LYS HB3 . 19700 1 224 . 1 1 28 28 LYS HG2 H 1 1.480 0.02 . 1 . . . A 127 LYS HG2 . 19700 1 225 . 1 1 28 28 LYS HG3 H 1 1.480 0.02 . 1 . . . A 127 LYS HG3 . 19700 1 226 . 1 1 28 28 LYS HD2 H 1 1.595 0.02 . 1 . . . A 127 LYS HD2 . 19700 1 227 . 1 1 28 28 LYS HD3 H 1 1.595 0.02 . 1 . . . A 127 LYS HD3 . 19700 1 228 . 1 1 28 28 LYS HE2 H 1 2.866 0.02 . 2 . . . A 127 LYS HE2 . 19700 1 229 . 1 1 28 28 LYS HE3 H 1 2.810 0.02 . 2 . . . A 127 LYS HE3 . 19700 1 230 . 1 1 28 28 LYS N N 15 124.796 0.10 . 1 . . . A 127 LYS N . 19700 1 231 . 1 1 29 29 LEU H H 1 9.105 0.02 . 1 . . . A 128 LEU H . 19700 1 232 . 1 1 29 29 LEU HA H 1 4.441 0.02 . 1 . . . A 128 LEU HA . 19700 1 233 . 1 1 29 29 LEU HB2 H 1 1.612 0.02 . 2 . . . A 128 LEU HB2 . 19700 1 234 . 1 1 29 29 LEU HB3 H 1 1.823 0.02 . 2 . . . A 128 LEU HB3 . 19700 1 235 . 1 1 29 29 LEU HG H 1 1.468 0.02 . 1 . . . A 128 LEU HG . 19700 1 236 . 1 1 29 29 LEU HD11 H 1 0.700 0.02 . 2 . . . A 128 LEU HD11 . 19700 1 237 . 1 1 29 29 LEU HD12 H 1 0.700 0.02 . 2 . . . A 128 LEU HD12 . 19700 1 238 . 1 1 29 29 LEU HD13 H 1 0.700 0.02 . 2 . . . A 128 LEU HD13 . 19700 1 239 . 1 1 29 29 LEU HD21 H 1 0.754 0.02 . 2 . . . A 128 LEU HD21 . 19700 1 240 . 1 1 29 29 LEU HD22 H 1 0.754 0.02 . 2 . . . A 128 LEU HD22 . 19700 1 241 . 1 1 29 29 LEU HD23 H 1 0.754 0.02 . 2 . . . A 128 LEU HD23 . 19700 1 242 . 1 1 29 29 LEU N N 15 126.430 0.10 . 1 . . . A 128 LEU N . 19700 1 243 . 1 1 30 30 HIS H H 1 9.123 0.02 . 1 . . . A 129 HIS H . 19700 1 244 . 1 1 30 30 HIS HA H 1 4.930 0.02 . 1 . . . A 129 HIS HA . 19700 1 245 . 1 1 30 30 HIS HB2 H 1 2.946 0.02 . 1 . . . A 129 HIS HB2 . 19700 1 246 . 1 1 30 30 HIS HB3 H 1 3.149 0.02 . 1 . . . A 129 HIS HB3 . 19700 1 247 . 1 1 30 30 HIS HD2 H 1 7.272 0.02 . 1 . . . A 129 HIS HD2 . 19700 1 248 . 1 1 30 30 HIS HE1 H 1 8.669 0.02 . 1 . . . A 129 HIS HE1 . 19700 1 249 . 1 1 30 30 HIS N N 15 124.315 0.10 . 1 . . . A 129 HIS N . 19700 1 250 . 1 1 31 31 GLN H H 1 8.246 0.02 . 1 . . . A 130 GLN H . 19700 1 251 . 1 1 31 31 GLN HA H 1 4.384 0.02 . 1 . . . A 130 GLN HA . 19700 1 252 . 1 1 31 31 GLN HB2 H 1 1.822 0.02 . 2 . . . A 130 GLN HB2 . 19700 1 253 . 1 1 31 31 GLN HB3 H 1 1.955 0.02 . 2 . . . A 130 GLN HB3 . 19700 1 254 . 1 1 31 31 GLN HG2 H 1 2.095 0.02 . 1 . . . A 130 GLN HG2 . 19700 1 255 . 1 1 31 31 GLN HG3 H 1 2.095 0.02 . 1 . . . A 130 GLN HG3 . 19700 1 256 . 1 1 31 31 GLN HE21 H 1 7.321 0.02 . 2 . . . A 130 GLN HE21 . 19700 1 257 . 1 1 31 31 GLN HE22 H 1 6.757 0.02 . 2 . . . A 130 GLN HE22 . 19700 1 258 . 1 1 31 31 GLN N N 15 120.311 0.10 . 1 . . . A 130 GLN N . 19700 1 259 . 1 1 31 31 GLN NE2 N 15 111.337 0.10 . 1 . . . A 130 GLN NE2 . 19700 1 260 . 1 1 32 32 ARG H H 1 8.510 0.02 . 1 . . . A 131 ARG H . 19700 1 261 . 1 1 32 32 ARG HA H 1 4.290 0.02 . 1 . . . A 131 ARG HA . 19700 1 262 . 1 1 32 32 ARG HB2 H 1 1.577 0.02 . 2 . . . A 131 ARG HB2 . 19700 1 263 . 1 1 32 32 ARG HB3 H 1 1.729 0.02 . 2 . . . A 131 ARG HB3 . 19700 1 264 . 1 1 32 32 ARG HG2 H 1 1.328 0.02 . 1 . . . A 131 ARG HG2 . 19700 1 265 . 1 1 32 32 ARG HG3 H 1 1.328 0.02 . 1 . . . A 131 ARG HG3 . 19700 1 266 . 1 1 32 32 ARG HD2 H 1 2.960 0.02 . 1 . . . A 131 ARG HD2 . 19700 1 267 . 1 1 32 32 ARG HD3 H 1 2.960 0.02 . 1 . . . A 131 ARG HD3 . 19700 1 268 . 1 1 32 32 ARG HE H 1 7.006 0.02 . 1 . . . A 131 ARG HE . 19700 1 269 . 1 1 32 32 ARG N N 15 123.995 0.10 . 1 . . . A 131 ARG N . 19700 1 270 . 1 1 32 32 ARG NE N 15 84.583 0.10 . 1 . . . A 131 ARG NE . 19700 1 271 . 1 1 33 33 ARG H H 1 8.183 0.02 . 1 . . . A 132 ARG H . 19700 1 272 . 1 1 33 33 ARG HA H 1 4.308 0.02 . 1 . . . A 132 ARG HA . 19700 1 273 . 1 1 33 33 ARG HB2 H 1 1.766 0.02 . 2 . . . A 132 ARG HB2 . 19700 1 274 . 1 1 33 33 ARG HB3 H 1 1.893 0.02 . 2 . . . A 132 ARG HB3 . 19700 1 275 . 1 1 33 33 ARG HG2 H 1 1.590 0.02 . 2 . . . A 132 ARG HG2 . 19700 1 276 . 1 1 33 33 ARG HG3 H 1 1.628 0.02 . 2 . . . A 132 ARG HG3 . 19700 1 277 . 1 1 33 33 ARG HD2 H 1 3.201 0.02 . 1 . . . A 132 ARG HD2 . 19700 1 278 . 1 1 33 33 ARG HD3 H 1 3.201 0.02 . 1 . . . A 132 ARG HD3 . 19700 1 279 . 1 1 33 33 ARG HE H 1 7.162 0.02 . 1 . . . A 132 ARG HE . 19700 1 280 . 1 1 33 33 ARG N N 15 121.592 0.10 . 1 . . . A 132 ARG N . 19700 1 281 . 1 1 33 33 ARG NE N 15 84.589 0.10 . 1 . . . A 132 ARG NE . 19700 1 282 . 1 1 34 34 ALA H H 1 8.249 0.02 . 1 . . . A 133 ALA H . 19700 1 283 . 1 1 34 34 ALA HA H 1 4.236 0.02 . 1 . . . A 133 ALA HA . 19700 1 284 . 1 1 34 34 ALA HB1 H 1 1.410 0.02 . 1 . . . A 133 ALA HB1 . 19700 1 285 . 1 1 34 34 ALA HB2 H 1 1.410 0.02 . 1 . . . A 133 ALA HB2 . 19700 1 286 . 1 1 34 34 ALA HB3 H 1 1.410 0.02 . 1 . . . A 133 ALA HB3 . 19700 1 287 . 1 1 34 34 ALA N N 15 124.315 0.10 . 1 . . . A 133 ALA N . 19700 1 288 . 1 1 35 35 LEU H H 1 8.146 0.02 . 1 . . . A 134 LEU H . 19700 1 289 . 1 1 35 35 LEU HA H 1 4.265 0.02 . 1 . . . A 134 LEU HA . 19700 1 290 . 1 1 35 35 LEU HB2 H 1 1.724 0.02 . 1 . . . A 134 LEU HB2 . 19700 1 291 . 1 1 35 35 LEU HB3 H 1 1.651 0.02 . 1 . . . A 134 LEU HB3 . 19700 1 292 . 1 1 35 35 LEU HG H 1 1.710 0.02 . 1 . . . A 134 LEU HG . 19700 1 293 . 1 1 35 35 LEU HD11 H 1 0.922 0.02 . 1 . . . A 134 LEU HD11 . 19700 1 294 . 1 1 35 35 LEU HD12 H 1 0.922 0.02 . 1 . . . A 134 LEU HD12 . 19700 1 295 . 1 1 35 35 LEU HD13 H 1 0.922 0.02 . 1 . . . A 134 LEU HD13 . 19700 1 296 . 1 1 35 35 LEU HD21 H 1 0.922 0.02 . 1 . . . A 134 LEU HD21 . 19700 1 297 . 1 1 35 35 LEU HD22 H 1 0.922 0.02 . 1 . . . A 134 LEU HD22 . 19700 1 298 . 1 1 35 35 LEU HD23 H 1 0.922 0.02 . 1 . . . A 134 LEU HD23 . 19700 1 299 . 1 1 35 35 LEU N N 15 119.576 0.10 . 1 . . . A 134 LEU N . 19700 1 300 . 1 1 36 36 SER H H 1 7.980 0.02 . 1 . . . A 135 SER H . 19700 1 301 . 1 1 36 36 SER HA H 1 4.504 0.02 . 1 . . . A 135 SER HA . 19700 1 302 . 1 1 36 36 SER HB2 H 1 3.859 0.02 . 1 . . . A 135 SER HB2 . 19700 1 303 . 1 1 36 36 SER HB3 H 1 3.859 0.02 . 1 . . . A 135 SER HB3 . 19700 1 304 . 1 1 36 36 SER N N 15 113.103 0.10 . 1 . . . A 135 SER N . 19700 1 305 . 1 1 37 37 TRP H H 1 8.027 0.02 . 1 . . . A 136 TRP H . 19700 1 306 . 1 1 37 37 TRP HA H 1 4.853 0.02 . 1 . . . A 136 TRP HA . 19700 1 307 . 1 1 37 37 TRP HB2 H 1 3.128 0.02 . 2 . . . A 136 TRP HB2 . 19700 1 308 . 1 1 37 37 TRP HB3 H 1 3.181 0.02 . 2 . . . A 136 TRP HB3 . 19700 1 309 . 1 1 37 37 TRP HD1 H 1 7.185 0.02 . 1 . . . A 136 TRP HD1 . 19700 1 310 . 1 1 37 37 TRP HE1 H 1 10.035 0.02 . 1 . . . A 136 TRP HE1 . 19700 1 311 . 1 1 37 37 TRP HE3 H 1 7.596 0.02 . 1 . . . A 136 TRP HE3 . 19700 1 312 . 1 1 37 37 TRP HZ2 H 1 7.537 0.02 . 1 . . . A 136 TRP HZ2 . 19700 1 313 . 1 1 37 37 TRP HZ3 H 1 7.137 0.02 . 1 . . . A 136 TRP HZ3 . 19700 1 314 . 1 1 37 37 TRP HH2 H 1 7.285 0.02 . 1 . . . A 136 TRP HH2 . 19700 1 315 . 1 1 37 37 TRP N N 15 123.354 0.10 . 1 . . . A 136 TRP N . 19700 1 316 . 1 1 37 37 TRP NE1 N 15 128.640 0.10 . 1 . . . A 136 TRP NE1 . 19700 1 317 . 1 1 38 38 ARG H H 1 7.991 0.02 . 1 . . . A 137 ARG H . 19700 1 318 . 1 1 38 38 ARG HA H 1 4.674 0.02 . 1 . . . A 137 ARG HA . 19700 1 319 . 1 1 38 38 ARG HB2 H 1 1.723 0.02 . 1 . . . A 137 ARG HB2 . 19700 1 320 . 1 1 38 38 ARG HB3 H 1 1.723 0.02 . 1 . . . A 137 ARG HB3 . 19700 1 321 . 1 1 38 38 ARG HG2 H 1 1.398 0.02 . 1 . . . A 137 ARG HG2 . 19700 1 322 . 1 1 38 38 ARG HG3 H 1 1.398 0.02 . 1 . . . A 137 ARG HG3 . 19700 1 323 . 1 1 38 38 ARG HD2 H 1 3.178 0.02 . 1 . . . A 137 ARG HD2 . 19700 1 324 . 1 1 38 38 ARG HD3 H 1 3.178 0.02 . 1 . . . A 137 ARG HD3 . 19700 1 325 . 1 1 38 38 ARG HE H 1 7.180 0.02 . 1 . . . A 137 ARG HE . 19700 1 326 . 1 1 38 38 ARG N N 15 120.614 0.10 . 1 . . . A 137 ARG N . 19700 1 327 . 1 1 38 38 ARG NE N 15 84.270 0.10 . 1 . . . A 137 ARG NE . 19700 1 328 . 1 1 39 39 TYR H H 1 9.191 0.02 . 1 . . . A 138 TYR H . 19700 1 329 . 1 1 39 39 TYR HA H 1 5.414 0.02 . 1 . . . A 138 TYR HA . 19700 1 330 . 1 1 39 39 TYR HB2 H 1 2.622 0.02 . 1 . . . A 138 TYR HB2 . 19700 1 331 . 1 1 39 39 TYR HB3 H 1 2.915 0.02 . 1 . . . A 138 TYR HB3 . 19700 1 332 . 1 1 39 39 TYR HD1 H 1 6.950 0.02 . 1 . . . A 138 TYR HD1 . 19700 1 333 . 1 1 39 39 TYR HD2 H 1 6.950 0.02 . 1 . . . A 138 TYR HD2 . 19700 1 334 . 1 1 39 39 TYR HE1 H 1 6.866 0.02 . 1 . . . A 138 TYR HE1 . 19700 1 335 . 1 1 39 39 TYR HE2 H 1 6.866 0.02 . 1 . . . A 138 TYR HE2 . 19700 1 336 . 1 1 39 39 TYR N N 15 119.354 0.10 . 1 . . . A 138 TYR N . 19700 1 337 . 1 1 40 40 ILE H H 1 9.104 0.02 . 1 . . . A 139 ILE H . 19700 1 338 . 1 1 40 40 ILE HA H 1 4.318 0.02 . 1 . . . A 139 ILE HA . 19700 1 339 . 1 1 40 40 ILE HB H 1 1.699 0.02 . 1 . . . A 139 ILE HB . 19700 1 340 . 1 1 40 40 ILE HG12 H 1 1.148 0.02 . 2 . . . A 139 ILE HG12 . 19700 1 341 . 1 1 40 40 ILE HG13 H 1 1.514 0.02 . 2 . . . A 139 ILE HG13 . 19700 1 342 . 1 1 40 40 ILE HG21 H 1 1.068 0.02 . 1 . . . A 139 ILE HG21 . 19700 1 343 . 1 1 40 40 ILE HG22 H 1 1.068 0.02 . 1 . . . A 139 ILE HG22 . 19700 1 344 . 1 1 40 40 ILE HG23 H 1 1.068 0.02 . 1 . . . A 139 ILE HG23 . 19700 1 345 . 1 1 40 40 ILE HD11 H 1 0.734 0.02 . 1 . . . A 139 ILE HD11 . 19700 1 346 . 1 1 40 40 ILE HD12 H 1 0.734 0.02 . 1 . . . A 139 ILE HD12 . 19700 1 347 . 1 1 40 40 ILE HD13 H 1 0.734 0.02 . 1 . . . A 139 ILE HD13 . 19700 1 348 . 1 1 40 40 ILE N N 15 119.510 0.10 . 1 . . . A 139 ILE N . 19700 1 349 . 1 1 41 41 ARG H H 1 8.393 0.02 . 1 . . . A 140 ARG H . 19700 1 350 . 1 1 41 41 ARG HA H 1 4.816 0.02 . 1 . . . A 140 ARG HA . 19700 1 351 . 1 1 41 41 ARG HB2 H 1 1.352 0.02 . 2 . . . A 140 ARG HB2 . 19700 1 352 . 1 1 41 41 ARG HB3 H 1 1.447 0.02 . 2 . . . A 140 ARG HB3 . 19700 1 353 . 1 1 41 41 ARG HG2 H 1 1.765 0.02 . 1 . . . A 140 ARG HG2 . 19700 1 354 . 1 1 41 41 ARG HG3 H 1 1.765 0.02 . 1 . . . A 140 ARG HG3 . 19700 1 355 . 1 1 41 41 ARG HD2 H 1 3.209 0.02 . 1 . . . A 140 ARG HD2 . 19700 1 356 . 1 1 41 41 ARG HD3 H 1 3.209 0.02 . 1 . . . A 140 ARG HD3 . 19700 1 357 . 1 1 41 41 ARG HE H 1 6.627 0.02 . 1 . . . A 140 ARG HE . 19700 1 358 . 1 1 41 41 ARG N N 15 125.596 0.10 . 1 . . . A 140 ARG N . 19700 1 359 . 1 1 41 41 ARG NE N 15 80.743 0.10 . 1 . . . A 140 ARG NE . 19700 1 360 . 1 1 42 42 GLY H H 1 6.307 0.02 . 1 . . . A 141 GLY H . 19700 1 361 . 1 1 42 42 GLY HA2 H 1 3.915 0.02 . 2 . . . A 141 GLY HA2 . 19700 1 362 . 1 1 42 42 GLY HA3 H 1 4.012 0.02 . 2 . . . A 141 GLY HA3 . 19700 1 363 . 1 1 42 42 GLY N N 15 103.964 0.10 . 1 . . . A 141 GLY N . 19700 1 364 . 1 1 43 43 CYS H H 1 8.184 0.02 . 1 . . . A 142 CYS H . 19700 1 365 . 1 1 43 43 CYS HA H 1 5.756 0.02 . 1 . . . A 142 CYS HA . 19700 1 366 . 1 1 43 43 CYS HB2 H 1 3.298 0.02 . 1 . . . A 142 CYS HB2 . 19700 1 367 . 1 1 43 43 CYS HB3 H 1 2.804 0.02 . 1 . . . A 142 CYS HB3 . 19700 1 368 . 1 1 43 43 CYS N N 15 117.908 0.10 . 1 . . . A 142 CYS N . 19700 1 369 . 1 1 44 44 ALA H H 1 9.508 0.02 . 1 . . . A 143 ALA H . 19700 1 370 . 1 1 44 44 ALA HA H 1 4.795 0.02 . 1 . . . A 143 ALA HA . 19700 1 371 . 1 1 44 44 ALA HB1 H 1 1.571 0.02 . 1 . . . A 143 ALA HB1 . 19700 1 372 . 1 1 44 44 ALA HB2 H 1 1.571 0.02 . 1 . . . A 143 ALA HB2 . 19700 1 373 . 1 1 44 44 ALA HB3 H 1 1.571 0.02 . 1 . . . A 143 ALA HB3 . 19700 1 374 . 1 1 44 44 ALA N N 15 121.268 0.10 . 1 . . . A 143 ALA N . 19700 1 375 . 1 1 45 45 ASP H H 1 9.030 0.02 . 1 . . . A 144 ASP H . 19700 1 376 . 1 1 45 45 ASP HA H 1 4.892 0.02 . 1 . . . A 144 ASP HA . 19700 1 377 . 1 1 45 45 ASP HB2 H 1 2.972 0.02 . 1 . . . A 144 ASP HB2 . 19700 1 378 . 1 1 45 45 ASP HB3 H 1 2.972 0.02 . 1 . . . A 144 ASP HB3 . 19700 1 379 . 1 1 45 45 ASP N N 15 118.068 0.10 . 1 . . . A 144 ASP N . 19700 1 380 . 1 1 46 46 THR H H 1 7.401 0.02 . 1 . . . A 145 THR H . 19700 1 381 . 1 1 46 46 THR HA H 1 4.422 0.02 . 1 . . . A 145 THR HA . 19700 1 382 . 1 1 46 46 THR HB H 1 4.074 0.02 . 1 . . . A 145 THR HB . 19700 1 383 . 1 1 46 46 THR HG21 H 1 1.124 0.02 . 1 . . . A 145 THR HG21 . 19700 1 384 . 1 1 46 46 THR HG22 H 1 1.124 0.02 . 1 . . . A 145 THR HG22 . 19700 1 385 . 1 1 46 46 THR HG23 H 1 1.124 0.02 . 1 . . . A 145 THR HG23 . 19700 1 386 . 1 1 46 46 THR N N 15 108.476 0.10 . 1 . . . A 145 THR N . 19700 1 387 . 1 1 47 47 CYS H H 1 8.850 0.02 . 1 . . . A 146 CYS H . 19700 1 388 . 1 1 47 47 CYS HA H 1 4.713 0.02 . 1 . . . A 146 CYS HA . 19700 1 389 . 1 1 47 47 CYS HB2 H 1 3.073 0.02 . 1 . . . A 146 CYS HB2 . 19700 1 390 . 1 1 47 47 CYS HB3 H 1 2.956 0.02 . 1 . . . A 146 CYS HB3 . 19700 1 391 . 1 1 47 47 CYS N N 15 123.516 0.10 . 1 . . . A 146 CYS N . 19700 1 392 . 1 1 48 48 PRO HA H 1 4.256 0.02 . 1 . . . A 147 PRO HA . 19700 1 393 . 1 1 48 48 PRO HB2 H 1 2.035 0.02 . 1 . . . A 147 PRO HB2 . 19700 1 394 . 1 1 48 48 PRO HB3 H 1 1.558 0.02 . 1 . . . A 147 PRO HB3 . 19700 1 395 . 1 1 48 48 PRO HG2 H 1 1.225 0.02 . 2 . . . A 147 PRO HG2 . 19700 1 396 . 1 1 48 48 PRO HG3 H 1 1.135 0.02 . 2 . . . A 147 PRO HG3 . 19700 1 397 . 1 1 48 48 PRO HD2 H 1 3.337 0.02 . 2 . . . A 147 PRO HD2 . 19700 1 398 . 1 1 48 48 PRO HD3 H 1 3.651 0.02 . 2 . . . A 147 PRO HD3 . 19700 1 399 . 1 1 49 49 VAL H H 1 7.857 0.02 . 1 . . . A 148 VAL H . 19700 1 400 . 1 1 49 49 VAL HA H 1 4.086 0.02 . 1 . . . A 148 VAL HA . 19700 1 401 . 1 1 49 49 VAL HB H 1 1.983 0.02 . 1 . . . A 148 VAL HB . 19700 1 402 . 1 1 49 49 VAL HG11 H 1 0.957 0.02 . 1 . . . A 148 VAL HG11 . 19700 1 403 . 1 1 49 49 VAL HG12 H 1 0.957 0.02 . 1 . . . A 148 VAL HG12 . 19700 1 404 . 1 1 49 49 VAL HG13 H 1 0.957 0.02 . 1 . . . A 148 VAL HG13 . 19700 1 405 . 1 1 49 49 VAL HG21 H 1 0.957 0.02 . 1 . . . A 148 VAL HG21 . 19700 1 406 . 1 1 49 49 VAL HG22 H 1 0.957 0.02 . 1 . . . A 148 VAL HG22 . 19700 1 407 . 1 1 49 49 VAL HG23 H 1 0.957 0.02 . 1 . . . A 148 VAL HG23 . 19700 1 408 . 1 1 49 49 VAL N N 15 118.686 0.10 . 1 . . . A 148 VAL N . 19700 1 409 . 1 1 50 50 GLY H H 1 8.357 0.02 . 1 . . . A 149 GLY H . 19700 1 410 . 1 1 50 50 GLY HA2 H 1 3.757 0.02 . 2 . . . A 149 GLY HA2 . 19700 1 411 . 1 1 50 50 GLY HA3 H 1 4.301 0.02 . 2 . . . A 149 GLY HA3 . 19700 1 412 . 1 1 50 50 GLY N N 15 113.423 0.10 . 1 . . . A 149 GLY N . 19700 1 413 . 1 1 51 51 LYS H H 1 8.574 0.02 . 1 . . . A 150 LYS H . 19700 1 414 . 1 1 51 51 LYS HA H 1 4.627 0.02 . 1 . . . A 150 LYS HA . 19700 1 415 . 1 1 51 51 LYS HB2 H 1 1.191 0.02 . 1 . . . A 150 LYS HB2 . 19700 1 416 . 1 1 51 51 LYS HB3 H 1 1.633 0.02 . 1 . . . A 150 LYS HB3 . 19700 1 417 . 1 1 51 51 LYS HG2 H 1 1.537 0.02 . 1 . . . A 150 LYS HG2 . 19700 1 418 . 1 1 51 51 LYS HG3 H 1 1.537 0.02 . 1 . . . A 150 LYS HG3 . 19700 1 419 . 1 1 51 51 LYS HD2 H 1 1.745 0.02 . 2 . . . A 150 LYS HD2 . 19700 1 420 . 1 1 51 51 LYS HD3 H 1 1.809 0.02 . 2 . . . A 150 LYS HD3 . 19700 1 421 . 1 1 51 51 LYS HE2 H 1 3.099 0.02 . 1 . . . A 150 LYS HE2 . 19700 1 422 . 1 1 51 51 LYS HE3 H 1 3.099 0.02 . 1 . . . A 150 LYS HE3 . 19700 1 423 . 1 1 51 51 LYS N N 15 121.492 0.10 . 1 . . . A 150 LYS N . 19700 1 424 . 1 1 52 52 PRO HA H 1 4.342 0.02 . 1 . . . A 151 PRO HA . 19700 1 425 . 1 1 52 52 PRO HB2 H 1 2.237 0.02 . 1 . . . A 151 PRO HB2 . 19700 1 426 . 1 1 52 52 PRO HB3 H 1 2.432 0.02 . 1 . . . A 151 PRO HB3 . 19700 1 427 . 1 1 52 52 PRO HG2 H 1 2.124 0.02 . 1 . . . A 151 PRO HG2 . 19700 1 428 . 1 1 52 52 PRO HG3 H 1 2.001 0.02 . 1 . . . A 151 PRO HG3 . 19700 1 429 . 1 1 52 52 PRO HD2 H 1 3.736 0.02 . 1 . . . A 151 PRO HD2 . 19700 1 430 . 1 1 52 52 PRO HD3 H 1 3.945 0.02 . 1 . . . A 151 PRO HD3 . 19700 1 431 . 1 1 53 53 TYR H H 1 7.127 0.02 . 1 . . . A 152 TYR H . 19700 1 432 . 1 1 53 53 TYR HA H 1 4.524 0.02 . 1 . . . A 152 TYR HA . 19700 1 433 . 1 1 53 53 TYR HB2 H 1 3.082 0.02 . 1 . . . A 152 TYR HB2 . 19700 1 434 . 1 1 53 53 TYR HB3 H 1 3.359 0.02 . 1 . . . A 152 TYR HB3 . 19700 1 435 . 1 1 53 53 TYR HD1 H 1 7.116 0.02 . 1 . . . A 152 TYR HD1 . 19700 1 436 . 1 1 53 53 TYR HD2 H 1 7.116 0.02 . 1 . . . A 152 TYR HD2 . 19700 1 437 . 1 1 53 53 TYR HE1 H 1 6.914 0.02 . 1 . . . A 152 TYR HE1 . 19700 1 438 . 1 1 53 53 TYR HE2 H 1 6.914 0.02 . 1 . . . A 152 TYR HE2 . 19700 1 439 . 1 1 53 53 TYR N N 15 111.257 0.10 . 1 . . . A 152 TYR N . 19700 1 440 . 1 1 54 54 GLU H H 1 7.603 0.02 . 1 . . . A 153 GLU H . 19700 1 441 . 1 1 54 54 GLU HA H 1 4.407 0.02 . 1 . . . A 153 GLU HA . 19700 1 442 . 1 1 54 54 GLU HB2 H 1 2.129 0.02 . 1 . . . A 153 GLU HB2 . 19700 1 443 . 1 1 54 54 GLU HB3 H 1 2.129 0.02 . 1 . . . A 153 GLU HB3 . 19700 1 444 . 1 1 54 54 GLU HG2 H 1 1.945 0.02 . 2 . . . A 153 GLU HG2 . 19700 1 445 . 1 1 54 54 GLU HG3 H 1 2.210 0.02 . 2 . . . A 153 GLU HG3 . 19700 1 446 . 1 1 54 54 GLU N N 15 119.670 0.10 . 1 . . . A 153 GLU N . 19700 1 447 . 1 1 55 55 MET H H 1 8.052 0.02 . 1 . . . A 154 MET H . 19700 1 448 . 1 1 55 55 MET HA H 1 4.335 0.02 . 1 . . . A 154 MET HA . 19700 1 449 . 1 1 55 55 MET HB2 H 1 2.142 0.02 . 1 . . . A 154 MET HB2 . 19700 1 450 . 1 1 55 55 MET HB3 H 1 2.236 0.02 . 1 . . . A 154 MET HB3 . 19700 1 451 . 1 1 55 55 MET HG2 H 1 2.594 0.02 . 2 . . . A 154 MET HG2 . 19700 1 452 . 1 1 55 55 MET HG3 H 1 2.693 0.02 . 2 . . . A 154 MET HG3 . 19700 1 453 . 1 1 55 55 MET N N 15 117.748 0.10 . 1 . . . A 154 MET N . 19700 1 454 . 1 1 56 56 ILE H H 1 8.393 0.02 . 1 . . . A 155 ILE H . 19700 1 455 . 1 1 56 56 ILE HA H 1 4.544 0.02 . 1 . . . A 155 ILE HA . 19700 1 456 . 1 1 56 56 ILE HB H 1 1.718 0.02 . 1 . . . A 155 ILE HB . 19700 1 457 . 1 1 56 56 ILE HG12 H 1 0.960 0.02 . 2 . . . A 155 ILE HG12 . 19700 1 458 . 1 1 56 56 ILE HG13 H 1 1.616 0.02 . 2 . . . A 155 ILE HG13 . 19700 1 459 . 1 1 56 56 ILE HG21 H 1 0.940 0.02 . 1 . . . A 155 ILE HG21 . 19700 1 460 . 1 1 56 56 ILE HG22 H 1 0.940 0.02 . 1 . . . A 155 ILE HG22 . 19700 1 461 . 1 1 56 56 ILE HG23 H 1 0.940 0.02 . 1 . . . A 155 ILE HG23 . 19700 1 462 . 1 1 56 56 ILE HD11 H 1 0.722 0.02 . 1 . . . A 155 ILE HD11 . 19700 1 463 . 1 1 56 56 ILE HD12 H 1 0.722 0.02 . 1 . . . A 155 ILE HD12 . 19700 1 464 . 1 1 56 56 ILE HD13 H 1 0.722 0.02 . 1 . . . A 155 ILE HD13 . 19700 1 465 . 1 1 56 56 ILE N N 15 121.057 0.10 . 1 . . . A 155 ILE N . 19700 1 466 . 1 1 57 57 GLU H H 1 8.994 0.02 . 1 . . . A 156 GLU H . 19700 1 467 . 1 1 57 57 GLU HA H 1 4.872 0.02 . 1 . . . A 156 GLU HA . 19700 1 468 . 1 1 57 57 GLU HB2 H 1 2.067 0.02 . 2 . . . A 156 GLU HB2 . 19700 1 469 . 1 1 57 57 GLU HB3 H 1 2.153 0.02 . 2 . . . A 156 GLU HB3 . 19700 1 470 . 1 1 57 57 GLU HG2 H 1 2.522 0.02 . 2 . . . A 156 GLU HG2 . 19700 1 471 . 1 1 57 57 GLU HG3 H 1 2.283 0.02 . 2 . . . A 156 GLU HG3 . 19700 1 472 . 1 1 57 57 GLU N N 15 127.999 0.10 . 1 . . . A 156 GLU N . 19700 1 473 . 1 1 58 58 CYS H H 1 9.029 0.02 . 1 . . . A 157 CYS H . 19700 1 474 . 1 1 58 58 CYS HA H 1 5.518 0.02 . 1 . . . A 157 CYS HA . 19700 1 475 . 1 1 58 58 CYS HB2 H 1 3.011 0.02 . 1 . . . A 157 CYS HB2 . 19700 1 476 . 1 1 58 58 CYS HB3 H 1 3.775 0.02 . 1 . . . A 157 CYS HB3 . 19700 1 477 . 1 1 58 58 CYS N N 15 123.034 0.10 . 1 . . . A 157 CYS N . 19700 1 478 . 1 1 59 59 CYS H H 1 9.344 0.02 . 1 . . . A 158 CYS H . 19700 1 479 . 1 1 59 59 CYS HA H 1 5.171 0.02 . 1 . . . A 158 CYS HA . 19700 1 480 . 1 1 59 59 CYS HB2 H 1 3.637 0.02 . 1 . . . A 158 CYS HB2 . 19700 1 481 . 1 1 59 59 CYS HB3 H 1 3.545 0.02 . 1 . . . A 158 CYS HB3 . 19700 1 482 . 1 1 59 59 CYS N N 15 119.670 0.10 . 1 . . . A 158 CYS N . 19700 1 483 . 1 1 60 60 SER H H 1 9.064 0.02 . 1 . . . A 159 SER H . 19700 1 484 . 1 1 60 60 SER HA H 1 5.112 0.02 . 1 . . . A 159 SER HA . 19700 1 485 . 1 1 60 60 SER HB2 H 1 4.032 0.02 . 2 . . . A 159 SER HB2 . 19700 1 486 . 1 1 60 60 SER HB3 H 1 4.212 0.02 . 2 . . . A 159 SER HB3 . 19700 1 487 . 1 1 60 60 SER N N 15 114.684 0.10 . 1 . . . A 159 SER N . 19700 1 488 . 1 1 61 61 THR H H 1 7.626 0.02 . 1 . . . A 160 THR H . 19700 1 489 . 1 1 61 61 THR HA H 1 4.784 0.02 . 1 . . . A 160 THR HA . 19700 1 490 . 1 1 61 61 THR HB H 1 4.374 0.02 . 1 . . . A 160 THR HB . 19700 1 491 . 1 1 61 61 THR HG21 H 1 1.241 0.02 . 1 . . . A 160 THR HG21 . 19700 1 492 . 1 1 61 61 THR HG22 H 1 1.241 0.02 . 1 . . . A 160 THR HG22 . 19700 1 493 . 1 1 61 61 THR HG23 H 1 1.241 0.02 . 1 . . . A 160 THR HG23 . 19700 1 494 . 1 1 61 61 THR N N 15 111.828 0.10 . 1 . . . A 160 THR N . 19700 1 495 . 1 1 62 62 ASP H H 1 8.332 0.02 . 1 . . . A 161 ASP H . 19700 1 496 . 1 1 62 62 ASP HA H 1 4.856 0.02 . 1 . . . A 161 ASP HA . 19700 1 497 . 1 1 62 62 ASP HB2 H 1 2.626 0.02 . 1 . . . A 161 ASP HB2 . 19700 1 498 . 1 1 62 62 ASP HB3 H 1 2.412 0.02 . 1 . . . A 161 ASP HB3 . 19700 1 499 . 1 1 62 62 ASP N N 15 118.279 0.10 . 1 . . . A 161 ASP N . 19700 1 500 . 1 1 63 63 LYS H H 1 9.460 0.02 . 1 . . . A 162 LYS H . 19700 1 501 . 1 1 63 63 LYS HA H 1 3.452 0.02 . 1 . . . A 162 LYS HA . 19700 1 502 . 1 1 63 63 LYS HB2 H 1 1.793 0.02 . 1 . . . A 162 LYS HB2 . 19700 1 503 . 1 1 63 63 LYS HB3 H 1 1.879 0.02 . 1 . . . A 162 LYS HB3 . 19700 1 504 . 1 1 63 63 LYS HG2 H 1 1.107 0.02 . 2 . . . A 162 LYS HG2 . 19700 1 505 . 1 1 63 63 LYS HG3 H 1 0.691 0.02 . 2 . . . A 162 LYS HG3 . 19700 1 506 . 1 1 63 63 LYS HD2 H 1 1.264 0.02 . 1 . . . A 162 LYS HD2 . 19700 1 507 . 1 1 63 63 LYS HD3 H 1 1.264 0.02 . 1 . . . A 162 LYS HD3 . 19700 1 508 . 1 1 63 63 LYS HE2 H 1 2.339 0.02 . 1 . . . A 162 LYS HE2 . 19700 1 509 . 1 1 63 63 LYS HE3 H 1 2.339 0.02 . 1 . . . A 162 LYS HE3 . 19700 1 510 . 1 1 63 63 LYS N N 15 116.091 0.10 . 1 . . . A 162 LYS N . 19700 1 511 . 1 1 64 64 CYS H H 1 7.751 0.02 . 1 . . . A 163 CYS H . 19700 1 512 . 1 1 64 64 CYS HA H 1 4.416 0.02 . 1 . . . A 163 CYS HA . 19700 1 513 . 1 1 64 64 CYS HB2 H 1 3.357 0.02 . 1 . . . A 163 CYS HB2 . 19700 1 514 . 1 1 64 64 CYS HB3 H 1 3.760 0.02 . 1 . . . A 163 CYS HB3 . 19700 1 515 . 1 1 64 64 CYS N N 15 111.859 0.10 . 1 . . . A 163 CYS N . 19700 1 516 . 1 1 65 65 ASN H H 1 9.396 0.02 . 1 . . . A 164 ASN H . 19700 1 517 . 1 1 65 65 ASN HA H 1 4.684 0.02 . 1 . . . A 164 ASN HA . 19700 1 518 . 1 1 65 65 ASN HB2 H 1 2.579 0.02 . 1 . . . A 164 ASN HB2 . 19700 1 519 . 1 1 65 65 ASN HB3 H 1 2.188 0.02 . 1 . . . A 164 ASN HB3 . 19700 1 520 . 1 1 65 65 ASN HD21 H 1 7.777 0.02 . 1 . . . A 164 ASN HD21 . 19700 1 521 . 1 1 65 65 ASN HD22 H 1 7.833 0.02 . 1 . . . A 164 ASN HD22 . 19700 1 522 . 1 1 65 65 ASN N N 15 122.713 0.10 . 1 . . . A 164 ASN N . 19700 1 523 . 1 1 65 65 ASN ND2 N 15 114.224 0.10 . 1 . . . A 164 ASN ND2 . 19700 1 524 . 1 1 66 66 ARG H H 1 7.512 0.02 . 1 . . . A 165 ARG H . 19700 1 525 . 1 1 66 66 ARG HA H 1 3.740 0.02 . 1 . . . A 165 ARG HA . 19700 1 526 . 1 1 66 66 ARG HB2 H 1 1.849 0.02 . 1 . . . A 165 ARG HB2 . 19700 1 527 . 1 1 66 66 ARG HB3 H 1 1.770 0.02 . 1 . . . A 165 ARG HB3 . 19700 1 528 . 1 1 66 66 ARG HG2 H 1 1.710 0.02 . 1 . . . A 165 ARG HG2 . 19700 1 529 . 1 1 66 66 ARG HG3 H 1 1.710 0.02 . 1 . . . A 165 ARG HG3 . 19700 1 530 . 1 1 66 66 ARG HD2 H 1 3.337 0.02 . 1 . . . A 165 ARG HD2 . 19700 1 531 . 1 1 66 66 ARG HD3 H 1 3.337 0.02 . 1 . . . A 165 ARG HD3 . 19700 1 532 . 1 1 66 66 ARG HE H 1 7.276 0.02 . 1 . . . A 165 ARG HE . 19700 1 533 . 1 1 66 66 ARG N N 15 124.772 0.10 . 1 . . . A 165 ARG N . 19700 1 534 . 1 1 66 66 ARG NE N 15 84.909 0.10 . 1 . . . A 165 ARG NE . 19700 1 stop_ save_