data_34547 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34547 _Entry.Title ; Structure of the trans-(Tyr39-Pro40) form of the Human Secreted Ly-6/uPAR Related Protein-1 (SLURP-1) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-08-04 _Entry.Accession_date 2020-08-04 _Entry.Last_release_date 2020-09-01 _Entry.Original_release_date 2020-09-01 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 A. Paramonov A. S. . . 34547 2 E. Lyukmanova E. N. . . 34547 3 Z. Shenkarev Z. O. . . 34547 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Ly-6 . 34547 Lynx . 34547 Lynx1 . 34547 NEUROPEPTIDE . 34547 SLURP . 34547 'nicotinic acetylcholine receptor' . 34547 'snake neurotoxin' . 34547 'three-finger protein' . 34547 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34547 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 301 34547 '15N chemical shifts' 81 34547 '1H chemical shifts' 529 34547 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 2 . . 2022-03-25 2020-08-04 update BMRB 'update entry citation' 34547 1 . . 2021-01-06 2020-08-04 original author 'original release' 34547 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6ZZE 'BMRB Entry Tracking System' 34547 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34547 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33741389 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Biochemical Basis of Skin Disease Mal de Meleda: SLURP-1 Mutants Differently Affect Keratinocyte Proliferation and Apoptosis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Invest. Dermatol.' _Citation.Journal_name_full 'The Journal of investigative dermatology' _Citation.Journal_volume 141 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1523-1747 _Citation.Journal_CSD 0353 _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 2229 _Citation.Page_last 2237 _Citation.Year 2021 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Mikhail Shulepko M. A. . . 34547 1 2 Maxim Bychkov M. L. . . 34547 1 3 Zakhar Shenkarev Z. O. . . 34547 1 4 Dmitrii Kulbatskii D. S. . . 34547 1 5 Alexey Makhonin A. M. . . 34547 1 6 Alexander Paramonov A. S. . . 34547 1 7 Anton Chugunov A. O. . . 34547 1 8 Mikhail Kirpichnikov M. P. . . 34547 1 9 Ekaterina Lyukmanova E. N. . . 34547 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34547 _Assembly.ID 1 _Assembly.Name 'Secreted Ly-6/uPAR-related protein 1' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 unit_1 1 $entity_1 A A yes . . . . . . 34547 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_asym_ID_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_asym_ID_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 . 1 CYS 4 4 SG . 1 . 1 CYS 22 22 SG . . . . . . . . . . . . 34547 1 2 disulfide single . 1 . 1 CYS 4 4 SG . 1 . 1 CYS 29 29 SG . . . . . . . . . . . . 34547 1 3 disulfide single . 1 . 1 CYS 7 7 SG . 1 . 1 CYS 16 16 SG . . . . . . . . . . . . 34547 1 4 disulfide single . 1 . 1 CYS 22 22 SG . 1 . 1 CYS 52 52 SG . . . . . . . . . . . . 34547 1 5 disulfide single . 1 . 1 CYS 56 56 SG . 1 . 1 CYS 72 72 SG . . . . . . . . . . . . 34547 1 6 disulfide single . 1 . 1 CYS 73 73 SG . 1 . 1 CYS 78 78 SG . . . . . . . . . . . . 34547 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34547 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MLKCYTCKEPMTSASCRTIT RCKPEDTACMTTLVTVEAEY PFNQSPVVTRSCSSSCVATD PDSIGAAHLIFCCFRDLCNS EL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 82 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8992.360 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ANUP common 34547 1 'ARS component B' common 34547 1 'ARS(component B)-81/S' common 34547 1 'Anti-neoplastic urinary protein' common 34547 1 SLURP-1 common 34547 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 . 34547 1 2 101 LEU . 34547 1 3 102 LYS . 34547 1 4 103 CYS . 34547 1 5 104 TYR . 34547 1 6 105 THR . 34547 1 7 106 CYS . 34547 1 8 107 LYS . 34547 1 9 108 GLU . 34547 1 10 109 PRO . 34547 1 11 110 MET . 34547 1 12 111 THR . 34547 1 13 112 SER . 34547 1 14 113 ALA . 34547 1 15 114 SER . 34547 1 16 115 CYS . 34547 1 17 116 ARG . 34547 1 18 117 THR . 34547 1 19 118 ILE . 34547 1 20 119 THR . 34547 1 21 120 ARG . 34547 1 22 121 CYS . 34547 1 23 122 LYS . 34547 1 24 123 PRO . 34547 1 25 124 GLU . 34547 1 26 125 ASP . 34547 1 27 126 THR . 34547 1 28 127 ALA . 34547 1 29 128 CYS . 34547 1 30 129 MET . 34547 1 31 130 THR . 34547 1 32 131 THR . 34547 1 33 132 LEU . 34547 1 34 133 VAL . 34547 1 35 134 THR . 34547 1 36 135 VAL . 34547 1 37 136 GLU . 34547 1 38 137 ALA . 34547 1 39 138 GLU . 34547 1 40 139 TYR . 34547 1 41 140 PRO . 34547 1 42 141 PHE . 34547 1 43 142 ASN . 34547 1 44 143 GLN . 34547 1 45 144 SER . 34547 1 46 145 PRO . 34547 1 47 146 VAL . 34547 1 48 147 VAL . 34547 1 49 148 THR . 34547 1 50 149 ARG . 34547 1 51 150 SER . 34547 1 52 151 CYS . 34547 1 53 152 SER . 34547 1 54 153 SER . 34547 1 55 154 SER . 34547 1 56 155 CYS . 34547 1 57 156 VAL . 34547 1 58 157 ALA . 34547 1 59 158 THR . 34547 1 60 159 ASP . 34547 1 61 160 PRO . 34547 1 62 161 ASP . 34547 1 63 162 SER . 34547 1 64 163 ILE . 34547 1 65 164 GLY . 34547 1 66 165 ALA . 34547 1 67 166 ALA . 34547 1 68 167 HIS . 34547 1 69 168 LEU . 34547 1 70 169 ILE . 34547 1 71 170 PHE . 34547 1 72 171 CYS . 34547 1 73 172 CYS . 34547 1 74 173 PHE . 34547 1 75 174 ARG . 34547 1 76 175 ASP . 34547 1 77 176 LEU . 34547 1 78 177 CYS . 34547 1 79 178 ASN . 34547 1 80 179 SER . 34547 1 81 180 GLU . 34547 1 82 181 LEU . 34547 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 34547 1 . LEU 2 2 34547 1 . LYS 3 3 34547 1 . CYS 4 4 34547 1 . TYR 5 5 34547 1 . THR 6 6 34547 1 . CYS 7 7 34547 1 . LYS 8 8 34547 1 . GLU 9 9 34547 1 . PRO 10 10 34547 1 . MET 11 11 34547 1 . THR 12 12 34547 1 . SER 13 13 34547 1 . ALA 14 14 34547 1 . SER 15 15 34547 1 . CYS 16 16 34547 1 . ARG 17 17 34547 1 . THR 18 18 34547 1 . ILE 19 19 34547 1 . THR 20 20 34547 1 . ARG 21 21 34547 1 . CYS 22 22 34547 1 . LYS 23 23 34547 1 . PRO 24 24 34547 1 . GLU 25 25 34547 1 . ASP 26 26 34547 1 . THR 27 27 34547 1 . ALA 28 28 34547 1 . CYS 29 29 34547 1 . MET 30 30 34547 1 . THR 31 31 34547 1 . THR 32 32 34547 1 . LEU 33 33 34547 1 . VAL 34 34 34547 1 . THR 35 35 34547 1 . VAL 36 36 34547 1 . GLU 37 37 34547 1 . ALA 38 38 34547 1 . GLU 39 39 34547 1 . TYR 40 40 34547 1 . PRO 41 41 34547 1 . PHE 42 42 34547 1 . ASN 43 43 34547 1 . GLN 44 44 34547 1 . SER 45 45 34547 1 . PRO 46 46 34547 1 . VAL 47 47 34547 1 . VAL 48 48 34547 1 . THR 49 49 34547 1 . ARG 50 50 34547 1 . SER 51 51 34547 1 . CYS 52 52 34547 1 . SER 53 53 34547 1 . SER 54 54 34547 1 . SER 55 55 34547 1 . CYS 56 56 34547 1 . VAL 57 57 34547 1 . ALA 58 58 34547 1 . THR 59 59 34547 1 . ASP 60 60 34547 1 . PRO 61 61 34547 1 . ASP 62 62 34547 1 . SER 63 63 34547 1 . ILE 64 64 34547 1 . GLY 65 65 34547 1 . ALA 66 66 34547 1 . ALA 67 67 34547 1 . HIS 68 68 34547 1 . LEU 69 69 34547 1 . ILE 70 70 34547 1 . PHE 71 71 34547 1 . CYS 72 72 34547 1 . CYS 73 73 34547 1 . PHE 74 74 34547 1 . ARG 75 75 34547 1 . ASP 76 76 34547 1 . LEU 77 77 34547 1 . CYS 78 78 34547 1 . ASN 79 79 34547 1 . SER 80 80 34547 1 . GLU 81 81 34547 1 . LEU 82 82 34547 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 34547 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'SLURP1, ARS' . 34547 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 34547 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . . 469008 . . . . . plasmid . . pET-22b(+) . . . 34547 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34547 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.3 mM [U-15N] SLURP-1, 95% H2O/5% D2O' _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 SLURP-1 [U-15N] . . 1 $entity_1 . . 0.3 . . mM 0.03 . . . 34547 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34547 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.3 mM [U-13C; U-15N] SLURP-1, 95% H2O/5% D2O' _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 SLURP-1 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.3 . . mM 0.03 . . . 34547 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34547 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.3 mM [U-13C; U-15N] SLURP-1, 100% D2O' _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 SLURP-1 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.3 . . mM 0.03 . . . 34547 3 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 34547 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 10 5 mM 34547 1 pH 4.7 0.05 pH 34547 1 pressure 1 . atm 34547 1 temperature 310 . K 34547 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34547 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 3.98.13 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34547 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34547 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34547 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version 1.8 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34547 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34547 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34547 _Software.ID 3 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34547 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34547 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34547 _Software.ID 4 _Software.Type . _Software.Name MddNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'V. Orekhov, V. Jaravine, M. Mayzel, K. Kazimierczuk, Swedish NMR Center, University of Gothenburg' . . 34547 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34547 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34547 _Software.ID 5 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34547 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 34547 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34547 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34547 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _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 34547 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker 'AVANCE III' . 800 . . . 34547 1 2 NMR_spectrometer_2 Bruker AVANCE . 700 . . . 34547 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 34547 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34547 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34547 1 3 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34547 1 4 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34547 1 5 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34547 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34547 1 7 '3D HNHA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34547 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34547 1 9 '3D HN(CO)CA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34547 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34547 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34547 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TMS 'methyl carbons' . . . . ppm 2.7 external indirect 0.25144953 . . . . . 34547 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 34547 1 N 15 'ammonium chloride' nitrogen . . . . ppm 0 external indirect 0.1013291 . . . . . 34547 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34547 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 '2D 1H-15N HSQC' . . . 34547 1 2 '2D 1H-1H NOESY' . . . 34547 1 3 '3D HNCO' . . . 34547 1 4 '3D HNCA' . . . 34547 1 5 '3D HNCACB' . . . 34547 1 6 '3D HCCH-TOCSY' . . . 34547 1 7 '3D HNHA' . . . 34547 1 8 '3D 1H-15N TOCSY' . . . 34547 1 9 '3D HN(CO)CA' . . . 34547 1 10 '2D 1H-13C HSQC' . . . 34547 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 4.207 0.020 . 1 . . . . A 100 MET HA . 34547 1 2 . 1 . 1 1 1 MET HB2 H 1 2.069 0.020 . 2 . . . . A 100 MET HB2 . 34547 1 3 . 1 . 1 1 1 MET HB3 H 1 2.133 0.020 . 2 . . . . A 100 MET HB3 . 34547 1 4 . 1 . 1 1 1 MET HG2 H 1 2.578 0.020 . 2 . . . . A 100 MET HG2 . 34547 1 5 . 1 . 1 1 1 MET HG3 H 1 2.578 0.020 . 2 . . . . A 100 MET HG3 . 34547 1 6 . 1 . 1 1 1 MET C C 13 168.726 0.400 . 1 . . . . A 100 MET C . 34547 1 7 . 1 . 1 1 1 MET CA C 13 52.120 0.400 . 1 . . . . A 100 MET CA . 34547 1 8 . 1 . 1 1 1 MET CB C 13 29.018 0.400 . 1 . . . . A 100 MET CB . 34547 1 9 . 1 . 1 1 1 MET CG C 13 28.406 0.400 . 1 . . . . A 100 MET CG . 34547 1 10 . 1 . 1 2 2 LEU H H 1 8.754 0.020 . 1 . . . . A 101 LEU H . 34547 1 11 . 1 . 1 2 2 LEU HA H 1 4.634 0.020 . 1 . . . . A 101 LEU HA . 34547 1 12 . 1 . 1 2 2 LEU HB2 H 1 1.369 0.020 . 2 . . . . A 101 LEU HB2 . 34547 1 13 . 1 . 1 2 2 LEU HB3 H 1 1.318 0.020 . 2 . . . . A 101 LEU HB3 . 34547 1 14 . 1 . 1 2 2 LEU HG H 1 1.498 0.020 . 1 . . . . A 101 LEU HG . 34547 1 15 . 1 . 1 2 2 LEU HD11 H 1 0.633 0.020 . 1 . . . . A 101 LEU HD11 . 34547 1 16 . 1 . 1 2 2 LEU HD12 H 1 0.633 0.020 . 1 . . . . A 101 LEU HD12 . 34547 1 17 . 1 . 1 2 2 LEU HD13 H 1 0.633 0.020 . 1 . . . . A 101 LEU HD13 . 34547 1 18 . 1 . 1 2 2 LEU HD21 H 1 0.734 0.020 . 1 . . . . A 101 LEU HD21 . 34547 1 19 . 1 . 1 2 2 LEU HD22 H 1 0.734 0.020 . 1 . . . . A 101 LEU HD22 . 34547 1 20 . 1 . 1 2 2 LEU HD23 H 1 0.734 0.020 . 1 . . . . A 101 LEU HD23 . 34547 1 21 . 1 . 1 2 2 LEU C C 13 172.405 0.400 . 1 . . . . A 101 LEU C . 34547 1 22 . 1 . 1 2 2 LEU CA C 13 51.876 0.400 . 1 . . . . A 101 LEU CA . 34547 1 23 . 1 . 1 2 2 LEU CB C 13 42.021 0.400 . 1 . . . . A 101 LEU CB . 34547 1 24 . 1 . 1 2 2 LEU CG C 13 23.738 0.400 . 1 . . . . A 101 LEU CG . 34547 1 25 . 1 . 1 2 2 LEU CD1 C 13 22.188 0.400 . 2 . . . . A 101 LEU CD1 . 34547 1 26 . 1 . 1 2 2 LEU CD2 C 13 19.885 0.400 . 2 . . . . A 101 LEU CD2 . 34547 1 27 . 1 . 1 2 2 LEU N N 15 127.862 0.400 . 1 . . . . A 101 LEU N . 34547 1 28 . 1 . 1 3 3 LYS H H 1 7.879 0.020 . 1 . . . . A 102 LYS H . 34547 1 29 . 1 . 1 3 3 LYS HA H 1 5.261 0.020 . 1 . . . . A 102 LYS HA . 34547 1 30 . 1 . 1 3 3 LYS HB2 H 1 1.384 0.020 . 2 . . . . A 102 LYS HB2 . 34547 1 31 . 1 . 1 3 3 LYS HB3 H 1 1.340 0.020 . 2 . . . . A 102 LYS HB3 . 34547 1 32 . 1 . 1 3 3 LYS HG2 H 1 1.356 0.020 . 2 . . . . A 102 LYS HG2 . 34547 1 33 . 1 . 1 3 3 LYS HG3 H 1 1.219 0.020 . 2 . . . . A 102 LYS HG3 . 34547 1 34 . 1 . 1 3 3 LYS HD2 H 1 1.476 0.020 . 2 . . . . A 102 LYS HD2 . 34547 1 35 . 1 . 1 3 3 LYS HD3 H 1 1.529 0.020 . 2 . . . . A 102 LYS HD3 . 34547 1 36 . 1 . 1 3 3 LYS HE2 H 1 2.804 0.020 . 2 . . . . A 102 LYS HE2 . 34547 1 37 . 1 . 1 3 3 LYS HE3 H 1 2.804 0.020 . 2 . . . . A 102 LYS HE3 . 34547 1 38 . 1 . 1 3 3 LYS C C 13 172.781 0.400 . 1 . . . . A 102 LYS C . 34547 1 39 . 1 . 1 3 3 LYS CA C 13 51.592 0.400 . 1 . . . . A 102 LYS CA . 34547 1 40 . 1 . 1 3 3 LYS CB C 13 32.019 0.400 . 1 . . . . A 102 LYS CB . 34547 1 41 . 1 . 1 3 3 LYS CG C 13 21.370 0.400 . 1 . . . . A 102 LYS CG . 34547 1 42 . 1 . 1 3 3 LYS CD C 13 26.286 0.400 . 1 . . . . A 102 LYS CD . 34547 1 43 . 1 . 1 3 3 LYS CE C 13 38.304 0.400 . 1 . . . . A 102 LYS CE . 34547 1 44 . 1 . 1 3 3 LYS N N 15 121.006 0.400 . 1 . . . . A 102 LYS N . 34547 1 45 . 1 . 1 4 4 CYS H H 1 8.427 0.020 . 1 . . . . A 103 CYS H . 34547 1 46 . 1 . 1 4 4 CYS HA H 1 4.946 0.020 . 1 . . . . A 103 CYS HA . 34547 1 47 . 1 . 1 4 4 CYS HB2 H 1 2.331 0.020 . 1 . . . . A 103 CYS HB2 . 34547 1 48 . 1 . 1 4 4 CYS HB3 H 1 3.002 0.020 . 1 . . . . A 103 CYS HB3 . 34547 1 49 . 1 . 1 4 4 CYS C C 13 171.906 0.400 . 1 . . . . A 103 CYS C . 34547 1 50 . 1 . 1 4 4 CYS CA C 13 48.998 0.400 . 1 . . . . A 103 CYS CA . 34547 1 51 . 1 . 1 4 4 CYS CB C 13 38.912 0.400 . 1 . . . . A 103 CYS CB . 34547 1 52 . 1 . 1 4 4 CYS N N 15 117.708 0.400 . 1 . . . . A 103 CYS N . 34547 1 53 . 1 . 1 5 5 TYR H H 1 8.442 0.020 . 1 . . . . A 104 TYR H . 34547 1 54 . 1 . 1 5 5 TYR HA H 1 5.136 0.020 . 1 . . . . A 104 TYR HA . 34547 1 55 . 1 . 1 5 5 TYR HB2 H 1 2.621 0.020 . 1 . . . . A 104 TYR HB2 . 34547 1 56 . 1 . 1 5 5 TYR HB3 H 1 2.906 0.020 . 1 . . . . A 104 TYR HB3 . 34547 1 57 . 1 . 1 5 5 TYR HD1 H 1 6.667 0.020 . 1 . . . . A 104 TYR HD1 . 34547 1 58 . 1 . 1 5 5 TYR HD2 H 1 6.667 0.020 . 1 . . . . A 104 TYR HD2 . 34547 1 59 . 1 . 1 5 5 TYR HE1 H 1 6.789 0.020 . 1 . . . . A 104 TYR HE1 . 34547 1 60 . 1 . 1 5 5 TYR HE2 H 1 6.789 0.020 . 1 . . . . A 104 TYR HE2 . 34547 1 61 . 1 . 1 5 5 TYR C C 13 174.465 0.400 . 1 . . . . A 104 TYR C . 34547 1 62 . 1 . 1 5 5 TYR CA C 13 55.542 0.400 . 1 . . . . A 104 TYR CA . 34547 1 63 . 1 . 1 5 5 TYR CB C 13 34.783 0.400 . 1 . . . . A 104 TYR CB . 34547 1 64 . 1 . 1 5 5 TYR N N 15 121.098 0.400 . 1 . . . . A 104 TYR N . 34547 1 65 . 1 . 1 6 6 THR H H 1 9.312 0.020 . 1 . . . . A 105 THR H . 34547 1 66 . 1 . 1 6 6 THR HA H 1 4.624 0.020 . 1 . . . . A 105 THR HA . 34547 1 67 . 1 . 1 6 6 THR HB H 1 4.167 0.020 . 1 . . . . A 105 THR HB . 34547 1 68 . 1 . 1 6 6 THR HG21 H 1 1.037 0.020 . 1 . . . . A 105 THR HG21 . 34547 1 69 . 1 . 1 6 6 THR HG22 H 1 1.037 0.020 . 1 . . . . A 105 THR HG22 . 34547 1 70 . 1 . 1 6 6 THR HG23 H 1 1.037 0.020 . 1 . . . . A 105 THR HG23 . 34547 1 71 . 1 . 1 6 6 THR C C 13 171.076 0.400 . 1 . . . . A 105 THR C . 34547 1 72 . 1 . 1 6 6 THR CA C 13 57.375 0.400 . 1 . . . . A 105 THR CA . 34547 1 73 . 1 . 1 6 6 THR CB C 13 70.082 0.400 . 1 . . . . A 105 THR CB . 34547 1 74 . 1 . 1 6 6 THR CG2 C 13 19.140 0.400 . 1 . . . . A 105 THR CG2 . 34547 1 75 . 1 . 1 6 6 THR N N 15 110.634 0.400 . 1 . . . . A 105 THR N . 34547 1 76 . 1 . 1 7 7 CYS H H 1 8.260 0.020 . 1 . . . . A 106 CYS H . 34547 1 77 . 1 . 1 7 7 CYS HA H 1 4.842 0.020 . 1 . . . . A 106 CYS HA . 34547 1 78 . 1 . 1 7 7 CYS HB2 H 1 3.650 0.020 . 1 . . . . A 106 CYS HB2 . 34547 1 79 . 1 . 1 7 7 CYS HB3 H 1 3.994 0.020 . 1 . . . . A 106 CYS HB3 . 34547 1 80 . 1 . 1 7 7 CYS C C 13 171.023 0.400 . 1 . . . . A 106 CYS C . 34547 1 81 . 1 . 1 7 7 CYS CA C 13 54.234 0.400 . 1 . . . . A 106 CYS CA . 34547 1 82 . 1 . 1 7 7 CYS CB C 13 43.098 0.400 . 1 . . . . A 106 CYS CB . 34547 1 83 . 1 . 1 7 7 CYS N N 15 109.134 0.400 . 1 . . . . A 106 CYS N . 34547 1 84 . 1 . 1 8 8 LYS H H 1 8.624 0.020 . 1 . . . . A 107 LYS H . 34547 1 85 . 1 . 1 8 8 LYS HA H 1 4.368 0.020 . 1 . . . . A 107 LYS HA . 34547 1 86 . 1 . 1 8 8 LYS HB2 H 1 1.920 0.020 . 2 . . . . A 107 LYS HB2 . 34547 1 87 . 1 . 1 8 8 LYS HB3 H 1 1.875 0.020 . 2 . . . . A 107 LYS HB3 . 34547 1 88 . 1 . 1 8 8 LYS HG2 H 1 1.511 0.020 . 2 . . . . A 107 LYS HG2 . 34547 1 89 . 1 . 1 8 8 LYS HG3 H 1 1.511 0.020 . 2 . . . . A 107 LYS HG3 . 34547 1 90 . 1 . 1 8 8 LYS HD2 H 1 1.751 0.020 . 2 . . . . A 107 LYS HD2 . 34547 1 91 . 1 . 1 8 8 LYS HD3 H 1 1.751 0.020 . 2 . . . . A 107 LYS HD3 . 34547 1 92 . 1 . 1 8 8 LYS HE2 H 1 3.046 0.020 . 2 . . . . A 107 LYS HE2 . 34547 1 93 . 1 . 1 8 8 LYS HE3 H 1 3.046 0.020 . 2 . . . . A 107 LYS HE3 . 34547 1 94 . 1 . 1 8 8 LYS C C 13 173.484 0.400 . 1 . . . . A 107 LYS C . 34547 1 95 . 1 . 1 8 8 LYS CA C 13 54.209 0.400 . 1 . . . . A 107 LYS CA . 34547 1 96 . 1 . 1 8 8 LYS CB C 13 30.567 0.400 . 1 . . . . A 107 LYS CB . 34547 1 97 . 1 . 1 8 8 LYS CG C 13 21.901 0.400 . 1 . . . . A 107 LYS CG . 34547 1 98 . 1 . 1 8 8 LYS CD C 13 25.976 0.400 . 1 . . . . A 107 LYS CD . 34547 1 99 . 1 . 1 8 8 LYS CE C 13 38.760 0.400 . 1 . . . . A 107 LYS CE . 34547 1 100 . 1 . 1 8 8 LYS N N 15 120.821 0.400 . 1 . . . . A 107 LYS N . 34547 1 101 . 1 . 1 9 9 GLU H H 1 7.627 0.020 . 1 . . . . A 108 GLU H . 34547 1 102 . 1 . 1 9 9 GLU HA H 1 4.728 0.020 . 1 . . . . A 108 GLU HA . 34547 1 103 . 1 . 1 9 9 GLU HB2 H 1 1.880 0.020 . 2 . . . . A 108 GLU HB2 . 34547 1 104 . 1 . 1 9 9 GLU HB3 H 1 2.065 0.020 . 2 . . . . A 108 GLU HB3 . 34547 1 105 . 1 . 1 9 9 GLU HG2 H 1 2.206 0.020 . 2 . . . . A 108 GLU HG2 . 34547 1 106 . 1 . 1 9 9 GLU HG3 H 1 2.228 0.020 . 2 . . . . A 108 GLU HG3 . 34547 1 107 . 1 . 1 9 9 GLU CA C 13 49.712 0.400 . 1 . . . . A 108 GLU CA . 34547 1 108 . 1 . 1 9 9 GLU CB C 13 27.002 0.400 . 1 . . . . A 108 GLU CB . 34547 1 109 . 1 . 1 9 9 GLU CG C 13 32.641 0.400 . 1 . . . . A 108 GLU CG . 34547 1 110 . 1 . 1 9 9 GLU N N 15 118.533 0.400 . 1 . . . . A 108 GLU N . 34547 1 111 . 1 . 1 10 10 PRO HA H 1 4.557 0.020 . 1 . . . . A 109 PRO HA . 34547 1 112 . 1 . 1 10 10 PRO HB2 H 1 1.868 0.020 . 2 . . . . A 109 PRO HB2 . 34547 1 113 . 1 . 1 10 10 PRO HB3 H 1 1.772 0.020 . 2 . . . . A 109 PRO HB3 . 34547 1 114 . 1 . 1 10 10 PRO HG2 H 1 2.107 0.020 . 2 . . . . A 109 PRO HG2 . 34547 1 115 . 1 . 1 10 10 PRO HG3 H 1 1.798 0.020 . 2 . . . . A 109 PRO HG3 . 34547 1 116 . 1 . 1 10 10 PRO HD2 H 1 3.752 0.020 . 2 . . . . A 109 PRO HD2 . 34547 1 117 . 1 . 1 10 10 PRO HD3 H 1 3.613 0.020 . 2 . . . . A 109 PRO HD3 . 34547 1 118 . 1 . 1 10 10 PRO C C 13 174.858 0.400 . 1 . . . . A 109 PRO C . 34547 1 119 . 1 . 1 10 10 PRO CA C 13 59.633 0.400 . 1 . . . . A 109 PRO CA . 34547 1 120 . 1 . 1 10 10 PRO CB C 13 28.574 0.400 . 1 . . . . A 109 PRO CB . 34547 1 121 . 1 . 1 10 10 PRO CG C 13 24.653 0.400 . 1 . . . . A 109 PRO CG . 34547 1 122 . 1 . 1 10 10 PRO CD C 13 47.020 0.400 . 1 . . . . A 109 PRO CD . 34547 1 123 . 1 . 1 11 11 MET H H 1 9.017 0.020 . 1 . . . . A 110 MET H . 34547 1 124 . 1 . 1 11 11 MET HA H 1 4.827 0.020 . 1 . . . . A 110 MET HA . 34547 1 125 . 1 . 1 11 11 MET HB2 H 1 2.404 0.020 . 2 . . . . A 110 MET HB2 . 34547 1 126 . 1 . 1 11 11 MET HB3 H 1 2.043 0.020 . 2 . . . . A 110 MET HB3 . 34547 1 127 . 1 . 1 11 11 MET HG2 H 1 2.774 0.020 . 2 . . . . A 110 MET HG2 . 34547 1 128 . 1 . 1 11 11 MET HG3 H 1 2.774 0.020 . 2 . . . . A 110 MET HG3 . 34547 1 129 . 1 . 1 11 11 MET HE1 H 1 2.201 0.020 . 1 . . . . A 110 MET HE1 . 34547 1 130 . 1 . 1 11 11 MET HE2 H 1 2.201 0.020 . 1 . . . . A 110 MET HE2 . 34547 1 131 . 1 . 1 11 11 MET HE3 H 1 2.201 0.020 . 1 . . . . A 110 MET HE3 . 34547 1 132 . 1 . 1 11 11 MET C C 13 172.405 0.400 . 1 . . . . A 110 MET C . 34547 1 133 . 1 . 1 11 11 MET CA C 13 51.502 0.400 . 1 . . . . A 110 MET CA . 34547 1 134 . 1 . 1 11 11 MET CB C 13 34.636 0.400 . 1 . . . . A 110 MET CB . 34547 1 135 . 1 . 1 11 11 MET CG C 13 29.005 0.400 . 1 . . . . A 110 MET CG . 34547 1 136 . 1 . 1 11 11 MET CE C 13 14.205 0.400 . 1 . . . . A 110 MET CE . 34547 1 137 . 1 . 1 11 11 MET N N 15 122.942 0.400 . 1 . . . . A 110 MET N . 34547 1 138 . 1 . 1 12 12 THR H H 1 8.282 0.020 . 1 . . . . A 111 THR H . 34547 1 139 . 1 . 1 12 12 THR HA H 1 4.534 0.020 . 1 . . . . A 111 THR HA . 34547 1 140 . 1 . 1 12 12 THR HB H 1 4.553 0.020 . 1 . . . . A 111 THR HB . 34547 1 141 . 1 . 1 12 12 THR HG21 H 1 1.327 0.020 . 1 . . . . A 111 THR HG21 . 34547 1 142 . 1 . 1 12 12 THR HG22 H 1 1.327 0.020 . 1 . . . . A 111 THR HG22 . 34547 1 143 . 1 . 1 12 12 THR HG23 H 1 1.327 0.020 . 1 . . . . A 111 THR HG23 . 34547 1 144 . 1 . 1 12 12 THR CA C 13 59.025 0.400 . 1 . . . . A 111 THR CA . 34547 1 145 . 1 . 1 12 12 THR CG2 C 13 19.090 0.400 . 1 . . . . A 111 THR CG2 . 34547 1 146 . 1 . 1 12 12 THR N N 15 110.441 0.400 . 1 . . . . A 111 THR N . 34547 1 147 . 1 . 1 13 13 SER H H 1 8.739 0.020 . 1 . . . . A 112 SER H . 34547 1 148 . 1 . 1 13 13 SER HA H 1 3.890 0.020 . 1 . . . . A 112 SER HA . 34547 1 149 . 1 . 1 13 13 SER HB2 H 1 3.814 0.020 . 2 . . . . A 112 SER HB2 . 34547 1 150 . 1 . 1 13 13 SER HB3 H 1 3.960 0.020 . 2 . . . . A 112 SER HB3 . 34547 1 151 . 1 . 1 13 13 SER CA C 13 57.930 0.400 . 1 . . . . A 112 SER CA . 34547 1 152 . 1 . 1 13 13 SER CB C 13 59.493 0.400 . 1 . . . . A 112 SER CB . 34547 1 153 . 1 . 1 13 13 SER N N 15 115.495 0.400 . 1 . . . . A 112 SER N . 34547 1 154 . 1 . 1 14 14 ALA H H 1 8.374 0.020 . 1 . . . . A 113 ALA H . 34547 1 155 . 1 . 1 14 14 ALA HA H 1 4.015 0.020 . 1 . . . . A 113 ALA HA . 34547 1 156 . 1 . 1 14 14 ALA HB1 H 1 1.379 0.020 . 1 . . . . A 113 ALA HB1 . 34547 1 157 . 1 . 1 14 14 ALA HB2 H 1 1.379 0.020 . 1 . . . . A 113 ALA HB2 . 34547 1 158 . 1 . 1 14 14 ALA HB3 H 1 1.379 0.020 . 1 . . . . A 113 ALA HB3 . 34547 1 159 . 1 . 1 14 14 ALA N N 15 119.080 0.400 . 1 . . . . A 113 ALA N . 34547 1 160 . 1 . 1 15 15 SER H H 1 7.561 0.020 . 1 . . . . A 114 SER H . 34547 1 161 . 1 . 1 15 15 SER HA H 1 4.515 0.020 . 1 . . . . A 114 SER HA . 34547 1 162 . 1 . 1 15 15 SER HB2 H 1 3.881 0.020 . 2 . . . . A 114 SER HB2 . 34547 1 163 . 1 . 1 15 15 SER HB3 H 1 3.968 0.020 . 2 . . . . A 114 SER HB3 . 34547 1 164 . 1 . 1 15 15 SER C C 13 171.489 0.400 . 1 . . . . A 114 SER C . 34547 1 165 . 1 . 1 15 15 SER CA C 13 55.891 0.400 . 1 . . . . A 114 SER CA . 34547 1 166 . 1 . 1 15 15 SER CB C 13 61.376 0.400 . 1 . . . . A 114 SER CB . 34547 1 167 . 1 . 1 15 15 SER N N 15 110.843 0.400 . 1 . . . . A 114 SER N . 34547 1 168 . 1 . 1 16 16 CYS H H 1 7.576 0.020 . 1 . . . . A 115 CYS H . 34547 1 169 . 1 . 1 16 16 CYS HA H 1 5.081 0.020 . 1 . . . . A 115 CYS HA . 34547 1 170 . 1 . 1 16 16 CYS HB2 H 1 2.720 0.020 . 1 . . . . A 115 CYS HB2 . 34547 1 171 . 1 . 1 16 16 CYS HB3 H 1 3.129 0.020 . 1 . . . . A 115 CYS HB3 . 34547 1 172 . 1 . 1 16 16 CYS C C 13 172.266 0.400 . 1 . . . . A 115 CYS C . 34547 1 173 . 1 . 1 16 16 CYS CA C 13 53.227 0.400 . 1 . . . . A 115 CYS CA . 34547 1 174 . 1 . 1 16 16 CYS CB C 13 41.064 0.400 . 1 . . . . A 115 CYS CB . 34547 1 175 . 1 . 1 16 16 CYS N N 15 124.537 0.400 . 1 . . . . A 115 CYS N . 34547 1 176 . 1 . 1 17 17 ARG H H 1 7.869 0.020 . 1 . . . . A 116 ARG H . 34547 1 177 . 1 . 1 17 17 ARG HA H 1 4.495 0.020 . 1 . . . . A 116 ARG HA . 34547 1 178 . 1 . 1 17 17 ARG HB2 H 1 1.361 0.020 . 1 . . . . A 116 ARG HB2 . 34547 1 179 . 1 . 1 17 17 ARG HB3 H 1 1.992 0.020 . 1 . . . . A 116 ARG HB3 . 34547 1 180 . 1 . 1 17 17 ARG HG2 H 1 0.896 0.020 . 2 . . . . A 116 ARG HG2 . 34547 1 181 . 1 . 1 17 17 ARG HG3 H 1 1.291 0.020 . 2 . . . . A 116 ARG HG3 . 34547 1 182 . 1 . 1 17 17 ARG HD2 H 1 2.636 0.020 . 2 . . . . A 116 ARG HD2 . 34547 1 183 . 1 . 1 17 17 ARG HD3 H 1 2.636 0.020 . 2 . . . . A 116 ARG HD3 . 34547 1 184 . 1 . 1 17 17 ARG HE H 1 6.519 0.020 . 1 . . . . A 116 ARG HE . 34547 1 185 . 1 . 1 17 17 ARG C C 13 172.863 0.400 . 1 . . . . A 116 ARG C . 34547 1 186 . 1 . 1 17 17 ARG CA C 13 51.903 0.400 . 1 . . . . A 116 ARG CA . 34547 1 187 . 1 . 1 17 17 ARG CB C 13 28.608 0.400 . 1 . . . . A 116 ARG CB . 34547 1 188 . 1 . 1 17 17 ARG CG C 13 24.147 0.400 . 1 . . . . A 116 ARG CG . 34547 1 189 . 1 . 1 17 17 ARG CD C 13 39.913 0.400 . 1 . . . . A 116 ARG CD . 34547 1 190 . 1 . 1 17 17 ARG N N 15 121.872 0.400 . 1 . . . . A 116 ARG N . 34547 1 191 . 1 . 1 17 17 ARG NE N 15 84.476 0.400 . 1 . . . . A 116 ARG NE . 34547 1 192 . 1 . 1 18 18 THR H H 1 8.309 0.020 . 1 . . . . A 117 THR H . 34547 1 193 . 1 . 1 18 18 THR HA H 1 4.311 0.020 . 1 . . . . A 117 THR HA . 34547 1 194 . 1 . 1 18 18 THR HB H 1 4.427 0.020 . 1 . . . . A 117 THR HB . 34547 1 195 . 1 . 1 18 18 THR HG21 H 1 1.167 0.020 . 1 . . . . A 117 THR HG21 . 34547 1 196 . 1 . 1 18 18 THR HG22 H 1 1.167 0.020 . 1 . . . . A 117 THR HG22 . 34547 1 197 . 1 . 1 18 18 THR HG23 H 1 1.167 0.020 . 1 . . . . A 117 THR HG23 . 34547 1 198 . 1 . 1 18 18 THR C C 13 172.200 0.400 . 1 . . . . A 117 THR C . 34547 1 199 . 1 . 1 18 18 THR CA C 13 61.472 0.400 . 1 . . . . A 117 THR CA . 34547 1 200 . 1 . 1 18 18 THR CB C 13 65.533 0.400 . 1 . . . . A 117 THR CB . 34547 1 201 . 1 . 1 18 18 THR CG2 C 13 18.523 0.400 . 1 . . . . A 117 THR CG2 . 34547 1 202 . 1 . 1 18 18 THR N N 15 119.541 0.400 . 1 . . . . A 117 THR N . 34547 1 203 . 1 . 1 19 19 ILE H H 1 8.949 0.020 . 1 . . . . A 118 ILE H . 34547 1 204 . 1 . 1 19 19 ILE HA H 1 3.924 0.020 . 1 . . . . A 118 ILE HA . 34547 1 205 . 1 . 1 19 19 ILE HB H 1 1.750 0.020 . 1 . . . . A 118 ILE HB . 34547 1 206 . 1 . 1 19 19 ILE HG12 H 1 1.893 0.020 . 2 . . . . A 118 ILE HG12 . 34547 1 207 . 1 . 1 19 19 ILE HG13 H 1 0.697 0.020 . 2 . . . . A 118 ILE HG13 . 34547 1 208 . 1 . 1 19 19 ILE HG21 H 1 0.676 0.020 . 1 . . . . A 118 ILE HG21 . 34547 1 209 . 1 . 1 19 19 ILE HG22 H 1 0.676 0.020 . 1 . . . . A 118 ILE HG22 . 34547 1 210 . 1 . 1 19 19 ILE HG23 H 1 0.676 0.020 . 1 . . . . A 118 ILE HG23 . 34547 1 211 . 1 . 1 19 19 ILE HD11 H 1 0.968 0.020 . 1 . . . . A 118 ILE HD11 . 34547 1 212 . 1 . 1 19 19 ILE HD12 H 1 0.968 0.020 . 1 . . . . A 118 ILE HD12 . 34547 1 213 . 1 . 1 19 19 ILE HD13 H 1 0.968 0.020 . 1 . . . . A 118 ILE HD13 . 34547 1 214 . 1 . 1 19 19 ILE C C 13 173.230 0.400 . 1 . . . . A 118 ILE C . 34547 1 215 . 1 . 1 19 19 ILE CA C 13 60.351 0.400 . 1 . . . . A 118 ILE CA . 34547 1 216 . 1 . 1 19 19 ILE CB C 13 34.735 0.400 . 1 . . . . A 118 ILE CB . 34547 1 217 . 1 . 1 19 19 ILE CG1 C 13 25.773 0.400 . 1 . . . . A 118 ILE CG1 . 34547 1 218 . 1 . 1 19 19 ILE CG2 C 13 14.100 0.400 . 1 . . . . A 118 ILE CG2 . 34547 1 219 . 1 . 1 19 19 ILE CD1 C 13 10.330 0.400 . 1 . . . . A 118 ILE CD1 . 34547 1 220 . 1 . 1 19 19 ILE N N 15 129.953 0.400 . 1 . . . . A 118 ILE N . 34547 1 221 . 1 . 1 20 20 THR H H 1 8.711 0.020 . 1 . . . . A 119 THR H . 34547 1 222 . 1 . 1 20 20 THR HA H 1 4.475 0.020 . 1 . . . . A 119 THR HA . 34547 1 223 . 1 . 1 20 20 THR HB H 1 3.803 0.020 . 1 . . . . A 119 THR HB . 34547 1 224 . 1 . 1 20 20 THR HG21 H 1 1.107 0.020 . 1 . . . . A 119 THR HG21 . 34547 1 225 . 1 . 1 20 20 THR HG22 H 1 1.107 0.020 . 1 . . . . A 119 THR HG22 . 34547 1 226 . 1 . 1 20 20 THR HG23 H 1 1.107 0.020 . 1 . . . . A 119 THR HG23 . 34547 1 227 . 1 . 1 20 20 THR C C 13 170.026 0.400 . 1 . . . . A 119 THR C . 34547 1 228 . 1 . 1 20 20 THR CA C 13 58.200 0.400 . 1 . . . . A 119 THR CA . 34547 1 229 . 1 . 1 20 20 THR CB C 13 67.794 0.400 . 1 . . . . A 119 THR CB . 34547 1 230 . 1 . 1 20 20 THR CG2 C 13 18.421 0.400 . 1 . . . . A 119 THR CG2 . 34547 1 231 . 1 . 1 20 20 THR N N 15 126.753 0.400 . 1 . . . . A 119 THR N . 34547 1 232 . 1 . 1 21 21 ARG H H 1 8.549 0.020 . 1 . . . . A 120 ARG H . 34547 1 233 . 1 . 1 21 21 ARG HA H 1 4.293 0.020 . 1 . . . . A 120 ARG HA . 34547 1 234 . 1 . 1 21 21 ARG HB2 H 1 1.769 0.020 . 1 . . . . A 120 ARG HB2 . 34547 1 235 . 1 . 1 21 21 ARG HB3 H 1 1.886 0.020 . 1 . . . . A 120 ARG HB3 . 34547 1 236 . 1 . 1 21 21 ARG HG2 H 1 1.693 0.020 . 2 . . . . A 120 ARG HG2 . 34547 1 237 . 1 . 1 21 21 ARG HG3 H 1 1.693 0.020 . 2 . . . . A 120 ARG HG3 . 34547 1 238 . 1 . 1 21 21 ARG HD2 H 1 3.243 0.020 . 2 . . . . A 120 ARG HD2 . 34547 1 239 . 1 . 1 21 21 ARG HD3 H 1 3.243 0.020 . 2 . . . . A 120 ARG HD3 . 34547 1 240 . 1 . 1 21 21 ARG HE H 1 7.250 0.020 . 1 . . . . A 120 ARG HE . 34547 1 241 . 1 . 1 21 21 ARG C C 13 172.634 0.400 . 1 . . . . A 120 ARG C . 34547 1 242 . 1 . 1 21 21 ARG CA C 13 53.380 0.400 . 1 . . . . A 120 ARG CA . 34547 1 243 . 1 . 1 21 21 ARG CB C 13 26.640 0.400 . 1 . . . . A 120 ARG CB . 34547 1 244 . 1 . 1 21 21 ARG CG C 13 24.403 0.400 . 1 . . . . A 120 ARG CG . 34547 1 245 . 1 . 1 21 21 ARG CD C 13 40.395 0.400 . 1 . . . . A 120 ARG CD . 34547 1 246 . 1 . 1 21 21 ARG N N 15 126.298 0.400 . 1 . . . . A 120 ARG N . 34547 1 247 . 1 . 1 21 21 ARG NE N 15 84.894 0.400 . 1 . . . . A 120 ARG NE . 34547 1 248 . 1 . 1 22 22 CYS H H 1 8.747 0.020 . 1 . . . . A 121 CYS H . 34547 1 249 . 1 . 1 22 22 CYS HA H 1 4.774 0.020 . 1 . . . . A 121 CYS HA . 34547 1 250 . 1 . 1 22 22 CYS HB2 H 1 2.884 0.020 . 1 . . . . A 121 CYS HB2 . 34547 1 251 . 1 . 1 22 22 CYS HB3 H 1 4.390 0.020 . 1 . . . . A 121 CYS HB3 . 34547 1 252 . 1 . 1 22 22 CYS C C 13 172.274 0.400 . 1 . . . . A 121 CYS C . 34547 1 253 . 1 . 1 22 22 CYS CA C 13 48.887 0.400 . 1 . . . . A 121 CYS CA . 34547 1 254 . 1 . 1 22 22 CYS CB C 13 33.669 0.400 . 1 . . . . A 121 CYS CB . 34547 1 255 . 1 . 1 22 22 CYS N N 15 125.959 0.400 . 1 . . . . A 121 CYS N . 34547 1 256 . 1 . 1 23 23 LYS H H 1 8.576 0.020 . 1 . . . . A 122 LYS H . 34547 1 257 . 1 . 1 23 23 LYS HA H 1 4.489 0.020 . 1 . . . . A 122 LYS HA . 34547 1 258 . 1 . 1 23 23 LYS HB2 H 1 1.640 0.020 . 1 . . . . A 122 LYS HB2 . 34547 1 259 . 1 . 1 23 23 LYS HB3 H 1 2.070 0.020 . 1 . . . . A 122 LYS HB3 . 34547 1 260 . 1 . 1 23 23 LYS HG2 H 1 1.568 0.020 . 2 . . . . A 122 LYS HG2 . 34547 1 261 . 1 . 1 23 23 LYS HG3 H 1 1.689 0.020 . 2 . . . . A 122 LYS HG3 . 34547 1 262 . 1 . 1 23 23 LYS HD2 H 1 1.794 0.020 . 2 . . . . A 122 LYS HD2 . 34547 1 263 . 1 . 1 23 23 LYS HD3 H 1 1.794 0.020 . 2 . . . . A 122 LYS HD3 . 34547 1 264 . 1 . 1 23 23 LYS HE2 H 1 3.081 0.020 . 2 . . . . A 122 LYS HE2 . 34547 1 265 . 1 . 1 23 23 LYS HE3 H 1 3.081 0.020 . 2 . . . . A 122 LYS HE3 . 34547 1 266 . 1 . 1 23 23 LYS CA C 13 52.781 0.400 . 1 . . . . A 122 LYS CA . 34547 1 267 . 1 . 1 23 23 LYS CB C 13 27.458 0.400 . 1 . . . . A 122 LYS CB . 34547 1 268 . 1 . 1 23 23 LYS CG C 13 22.132 0.400 . 1 . . . . A 122 LYS CG . 34547 1 269 . 1 . 1 23 23 LYS CD C 13 25.728 0.400 . 1 . . . . A 122 LYS CD . 34547 1 270 . 1 . 1 23 23 LYS CE C 13 38.645 0.400 . 1 . . . . A 122 LYS CE . 34547 1 271 . 1 . 1 23 23 LYS N N 15 119.892 0.400 . 1 . . . . A 122 LYS N . 34547 1 272 . 1 . 1 24 24 PRO HA H 1 4.249 0.020 . 1 . . . . A 123 PRO HA . 34547 1 273 . 1 . 1 24 24 PRO HB2 H 1 2.430 0.020 . 2 . . . . A 123 PRO HB2 . 34547 1 274 . 1 . 1 24 24 PRO HB3 H 1 1.965 0.020 . 2 . . . . A 123 PRO HB3 . 34547 1 275 . 1 . 1 24 24 PRO HG2 H 1 2.259 0.020 . 2 . . . . A 123 PRO HG2 . 34547 1 276 . 1 . 1 24 24 PRO HG3 H 1 2.066 0.020 . 2 . . . . A 123 PRO HG3 . 34547 1 277 . 1 . 1 24 24 PRO HD2 H 1 3.892 0.020 . 2 . . . . A 123 PRO HD2 . 34547 1 278 . 1 . 1 24 24 PRO HD3 H 1 3.849 0.020 . 2 . . . . A 123 PRO HD3 . 34547 1 279 . 1 . 1 24 24 PRO C C 13 174.710 0.400 . 1 . . . . A 123 PRO C . 34547 1 280 . 1 . 1 24 24 PRO CA C 13 63.009 0.400 . 1 . . . . A 123 PRO CA . 34547 1 281 . 1 . 1 24 24 PRO CB C 13 28.688 0.400 . 1 . . . . A 123 PRO CB . 34547 1 282 . 1 . 1 24 24 PRO CG C 13 24.837 0.400 . 1 . . . . A 123 PRO CG . 34547 1 283 . 1 . 1 24 24 PRO CD C 13 47.139 0.400 . 1 . . . . A 123 PRO CD . 34547 1 284 . 1 . 1 25 25 GLU H H 1 8.892 0.020 . 1 . . . . A 124 GLU H . 34547 1 285 . 1 . 1 25 25 GLU HA H 1 4.222 0.020 . 1 . . . . A 124 GLU HA . 34547 1 286 . 1 . 1 25 25 GLU HB2 H 1 2.084 0.020 . 2 . . . . A 124 GLU HB2 . 34547 1 287 . 1 . 1 25 25 GLU HB3 H 1 2.084 0.020 . 2 . . . . A 124 GLU HB3 . 34547 1 288 . 1 . 1 25 25 GLU HG2 H 1 2.278 0.020 . 2 . . . . A 124 GLU HG2 . 34547 1 289 . 1 . 1 25 25 GLU HG3 H 1 2.278 0.020 . 2 . . . . A 124 GLU HG3 . 34547 1 290 . 1 . 1 25 25 GLU C C 13 173.582 0.400 . 1 . . . . A 124 GLU C . 34547 1 291 . 1 . 1 25 25 GLU CA C 13 54.020 0.400 . 1 . . . . A 124 GLU CA . 34547 1 292 . 1 . 1 25 25 GLU CB C 13 25.773 0.400 . 1 . . . . A 124 GLU CB . 34547 1 293 . 1 . 1 25 25 GLU CG C 13 32.891 0.400 . 1 . . . . A 124 GLU CG . 34547 1 294 . 1 . 1 25 25 GLU N N 15 112.877 0.400 . 1 . . . . A 124 GLU N . 34547 1 295 . 1 . 1 26 26 ASP H H 1 7.675 0.020 . 1 . . . . A 125 ASP H . 34547 1 296 . 1 . 1 26 26 ASP HA H 1 4.514 0.020 . 1 . . . . A 125 ASP HA . 34547 1 297 . 1 . 1 26 26 ASP HB2 H 1 2.932 0.020 . 1 . . . . A 125 ASP HB2 . 34547 1 298 . 1 . 1 26 26 ASP HB3 H 1 2.412 0.020 . 1 . . . . A 125 ASP HB3 . 34547 1 299 . 1 . 1 26 26 ASP C C 13 174.105 0.400 . 1 . . . . A 125 ASP C . 34547 1 300 . 1 . 1 26 26 ASP CA C 13 53.162 0.400 . 1 . . . . A 125 ASP CA . 34547 1 301 . 1 . 1 26 26 ASP CB C 13 37.075 0.400 . 1 . . . . A 125 ASP CB . 34547 1 302 . 1 . 1 26 26 ASP N N 15 120.983 0.400 . 1 . . . . A 125 ASP N . 34547 1 303 . 1 . 1 27 27 THR H H 1 8.139 0.020 . 1 . . . . A 126 THR H . 34547 1 304 . 1 . 1 27 27 THR HA H 1 4.445 0.020 . 1 . . . . A 126 THR HA . 34547 1 305 . 1 . 1 27 27 THR HB H 1 4.553 0.020 . 1 . . . . A 126 THR HB . 34547 1 306 . 1 . 1 27 27 THR HG21 H 1 1.290 0.020 . 1 . . . . A 126 THR HG21 . 34547 1 307 . 1 . 1 27 27 THR HG22 H 1 1.290 0.020 . 1 . . . . A 126 THR HG22 . 34547 1 308 . 1 . 1 27 27 THR HG23 H 1 1.290 0.020 . 1 . . . . A 126 THR HG23 . 34547 1 309 . 1 . 1 27 27 THR C C 13 170.810 0.400 . 1 . . . . A 126 THR C . 34547 1 310 . 1 . 1 27 27 THR CA C 13 57.795 0.400 . 1 . . . . A 126 THR CA . 34547 1 311 . 1 . 1 27 27 THR CB C 13 68.080 0.400 . 1 . . . . A 126 THR CB . 34547 1 312 . 1 . 1 27 27 THR CG2 C 13 18.894 0.400 . 1 . . . . A 126 THR CG2 . 34547 1 313 . 1 . 1 27 27 THR N N 15 110.714 0.400 . 1 . . . . A 126 THR N . 34547 1 314 . 1 . 1 28 28 ALA H H 1 8.408 0.020 . 1 . . . . A 127 ALA H . 34547 1 315 . 1 . 1 28 28 ALA HA H 1 4.969 0.020 . 1 . . . . A 127 ALA HA . 34547 1 316 . 1 . 1 28 28 ALA HB1 H 1 1.249 0.020 . 1 . . . . A 127 ALA HB1 . 34547 1 317 . 1 . 1 28 28 ALA HB2 H 1 1.249 0.020 . 1 . . . . A 127 ALA HB2 . 34547 1 318 . 1 . 1 28 28 ALA HB3 H 1 1.249 0.020 . 1 . . . . A 127 ALA HB3 . 34547 1 319 . 1 . 1 28 28 ALA C C 13 172.699 0.400 . 1 . . . . A 127 ALA C . 34547 1 320 . 1 . 1 28 28 ALA CA C 13 47.826 0.400 . 1 . . . . A 127 ALA CA . 34547 1 321 . 1 . 1 28 28 ALA CB C 13 21.011 0.400 . 1 . . . . A 127 ALA CB . 34547 1 322 . 1 . 1 28 28 ALA N N 15 123.060 0.400 . 1 . . . . A 127 ALA N . 34547 1 323 . 1 . 1 29 29 CYS H H 1 8.764 0.020 . 1 . . . . A 128 CYS H . 34547 1 324 . 1 . 1 29 29 CYS HA H 1 5.405 0.020 . 1 . . . . A 128 CYS HA . 34547 1 325 . 1 . 1 29 29 CYS HB2 H 1 2.845 0.020 . 1 . . . . A 128 CYS HB2 . 34547 1 326 . 1 . 1 29 29 CYS HB3 H 1 3.129 0.020 . 1 . . . . A 128 CYS HB3 . 34547 1 327 . 1 . 1 29 29 CYS C C 13 171.375 0.400 . 1 . . . . A 128 CYS C . 34547 1 328 . 1 . 1 29 29 CYS CA C 13 49.138 0.400 . 1 . . . . A 128 CYS CA . 34547 1 329 . 1 . 1 29 29 CYS CB C 13 33.728 0.400 . 1 . . . . A 128 CYS CB . 34547 1 330 . 1 . 1 29 29 CYS N N 15 115.816 0.400 . 1 . . . . A 128 CYS N . 34547 1 331 . 1 . 1 30 30 MET H H 1 9.366 0.020 . 1 . . . . A 129 MET H . 34547 1 332 . 1 . 1 30 30 MET HA H 1 5.485 0.020 . 1 . . . . A 129 MET HA . 34547 1 333 . 1 . 1 30 30 MET HB2 H 1 1.725 0.020 . 1 . . . . A 129 MET HB2 . 34547 1 334 . 1 . 1 30 30 MET HB3 H 1 2.212 0.020 . 1 . . . . A 129 MET HB3 . 34547 1 335 . 1 . 1 30 30 MET HG2 H 1 2.637 0.020 . 2 . . . . A 129 MET HG2 . 34547 1 336 . 1 . 1 30 30 MET HG3 H 1 2.373 0.020 . 2 . . . . A 129 MET HG3 . 34547 1 337 . 1 . 1 30 30 MET HE1 H 1 2.046 0.020 . 1 . . . . A 129 MET HE1 . 34547 1 338 . 1 . 1 30 30 MET HE2 H 1 2.046 0.020 . 1 . . . . A 129 MET HE2 . 34547 1 339 . 1 . 1 30 30 MET HE3 H 1 2.046 0.020 . 1 . . . . A 129 MET HE3 . 34547 1 340 . 1 . 1 30 30 MET C C 13 173.427 0.400 . 1 . . . . A 129 MET C . 34547 1 341 . 1 . 1 30 30 MET CA C 13 51.630 0.400 . 1 . . . . A 129 MET CA . 34547 1 342 . 1 . 1 30 30 MET CB C 13 35.308 0.400 . 1 . . . . A 129 MET CB . 34547 1 343 . 1 . 1 30 30 MET CG C 13 28.604 0.400 . 1 . . . . A 129 MET CG . 34547 1 344 . 1 . 1 30 30 MET CE C 13 14.162 0.400 . 1 . . . . A 129 MET CE . 34547 1 345 . 1 . 1 30 30 MET N N 15 126.078 0.400 . 1 . . . . A 129 MET N . 34547 1 346 . 1 . 1 31 31 THR H H 1 8.903 0.020 . 1 . . . . A 130 THR H . 34547 1 347 . 1 . 1 31 31 THR HA H 1 5.177 0.020 . 1 . . . . A 130 THR HA . 34547 1 348 . 1 . 1 31 31 THR HB H 1 4.117 0.020 . 1 . . . . A 130 THR HB . 34547 1 349 . 1 . 1 31 31 THR HG21 H 1 1.245 0.020 . 1 . . . . A 130 THR HG21 . 34547 1 350 . 1 . 1 31 31 THR HG22 H 1 1.245 0.020 . 1 . . . . A 130 THR HG22 . 34547 1 351 . 1 . 1 31 31 THR HG23 H 1 1.245 0.020 . 1 . . . . A 130 THR HG23 . 34547 1 352 . 1 . 1 31 31 THR C C 13 170.173 0.400 . 1 . . . . A 130 THR C . 34547 1 353 . 1 . 1 31 31 THR CA C 13 59.260 0.400 . 1 . . . . A 130 THR CA . 34547 1 354 . 1 . 1 31 31 THR CB C 13 68.549 0.400 . 1 . . . . A 130 THR CB . 34547 1 355 . 1 . 1 31 31 THR CG2 C 13 18.292 0.400 . 1 . . . . A 130 THR CG2 . 34547 1 356 . 1 . 1 31 31 THR N N 15 123.706 0.400 . 1 . . . . A 130 THR N . 34547 1 357 . 1 . 1 32 32 THR H H 1 9.284 0.020 . 1 . . . . A 131 THR H . 34547 1 358 . 1 . 1 32 32 THR HA H 1 5.110 0.020 . 1 . . . . A 131 THR HA . 34547 1 359 . 1 . 1 32 32 THR HB H 1 4.122 0.020 . 1 . . . . A 131 THR HB . 34547 1 360 . 1 . 1 32 32 THR HG21 H 1 0.980 0.020 . 1 . . . . A 131 THR HG21 . 34547 1 361 . 1 . 1 32 32 THR HG22 H 1 0.980 0.020 . 1 . . . . A 131 THR HG22 . 34547 1 362 . 1 . 1 32 32 THR HG23 H 1 0.980 0.020 . 1 . . . . A 131 THR HG23 . 34547 1 363 . 1 . 1 32 32 THR C C 13 170.703 0.400 . 1 . . . . A 131 THR C . 34547 1 364 . 1 . 1 32 32 THR CA C 13 58.370 0.400 . 1 . . . . A 131 THR CA . 34547 1 365 . 1 . 1 32 32 THR CB C 13 66.519 0.400 . 1 . . . . A 131 THR CB . 34547 1 366 . 1 . 1 32 32 THR CG2 C 13 17.746 0.400 . 1 . . . . A 131 THR CG2 . 34547 1 367 . 1 . 1 32 32 THR N N 15 123.644 0.400 . 1 . . . . A 131 THR N . 34547 1 368 . 1 . 1 33 33 LEU H H 1 9.132 0.020 . 1 . . . . A 132 LEU H . 34547 1 369 . 1 . 1 33 33 LEU HA H 1 4.749 0.020 . 1 . . . . A 132 LEU HA . 34547 1 370 . 1 . 1 33 33 LEU HB2 H 1 1.566 0.020 . 2 . . . . A 132 LEU HB2 . 34547 1 371 . 1 . 1 33 33 LEU HB3 H 1 2.086 0.020 . 2 . . . . A 132 LEU HB3 . 34547 1 372 . 1 . 1 33 33 LEU HG H 1 1.655 0.020 . 1 . . . . A 132 LEU HG . 34547 1 373 . 1 . 1 33 33 LEU HD11 H 1 1.002 0.020 . 2 . . . . A 132 LEU HD11 . 34547 1 374 . 1 . 1 33 33 LEU HD12 H 1 1.002 0.020 . 2 . . . . A 132 LEU HD12 . 34547 1 375 . 1 . 1 33 33 LEU HD13 H 1 1.002 0.020 . 2 . . . . A 132 LEU HD13 . 34547 1 376 . 1 . 1 33 33 LEU HD21 H 1 1.002 0.020 . 2 . . . . A 132 LEU HD21 . 34547 1 377 . 1 . 1 33 33 LEU HD22 H 1 1.002 0.020 . 2 . . . . A 132 LEU HD22 . 34547 1 378 . 1 . 1 33 33 LEU HD23 H 1 1.002 0.020 . 2 . . . . A 132 LEU HD23 . 34547 1 379 . 1 . 1 33 33 LEU CA C 13 51.916 0.400 . 1 . . . . A 132 LEU CA . 34547 1 380 . 1 . 1 33 33 LEU CB C 13 40.734 0.400 . 1 . . . . A 132 LEU CB . 34547 1 381 . 1 . 1 33 33 LEU CG C 13 24.966 0.400 . 1 . . . . A 132 LEU CG . 34547 1 382 . 1 . 1 33 33 LEU CD1 C 13 21.968 0.400 . 2 . . . . A 132 LEU CD1 . 34547 1 383 . 1 . 1 33 33 LEU CD2 C 13 22.764 0.400 . 2 . . . . A 132 LEU CD2 . 34547 1 384 . 1 . 1 33 33 LEU N N 15 128.424 0.400 . 1 . . . . A 132 LEU N . 34547 1 385 . 1 . 1 34 34 VAL H H 1 8.781 0.020 . 1 . . . . A 133 VAL H . 34547 1 386 . 1 . 1 34 34 VAL HA H 1 4.073 0.020 . 1 . . . . A 133 VAL HA . 34547 1 387 . 1 . 1 34 34 VAL HB H 1 1.917 0.020 . 1 . . . . A 133 VAL HB . 34547 1 388 . 1 . 1 34 34 VAL HG11 H 1 0.878 0.020 . 2 . . . . A 133 VAL HG11 . 34547 1 389 . 1 . 1 34 34 VAL HG12 H 1 0.878 0.020 . 2 . . . . A 133 VAL HG12 . 34547 1 390 . 1 . 1 34 34 VAL HG13 H 1 0.878 0.020 . 2 . . . . A 133 VAL HG13 . 34547 1 391 . 1 . 1 34 34 VAL HG21 H 1 0.878 0.020 . 2 . . . . A 133 VAL HG21 . 34547 1 392 . 1 . 1 34 34 VAL HG22 H 1 0.878 0.020 . 2 . . . . A 133 VAL HG22 . 34547 1 393 . 1 . 1 34 34 VAL HG23 H 1 0.878 0.020 . 2 . . . . A 133 VAL HG23 . 34547 1 394 . 1 . 1 34 34 VAL CA C 13 60.262 0.400 . 1 . . . . A 133 VAL CA . 34547 1 395 . 1 . 1 34 34 VAL CB C 13 29.588 0.400 . 1 . . . . A 133 VAL CB . 34547 1 396 . 1 . 1 34 34 VAL CG1 C 13 18.048 0.400 . 2 . . . . A 133 VAL CG1 . 34547 1 397 . 1 . 1 34 34 VAL N N 15 126.950 0.400 . 1 . . . . A 133 VAL N . 34547 1 398 . 1 . 1 35 35 THR H H 1 7.870 0.020 . 1 . . . . A 134 THR H . 34547 1 399 . 1 . 1 35 35 THR HA H 1 4.473 0.020 . 1 . . . . A 134 THR HA . 34547 1 400 . 1 . 1 35 35 THR HB H 1 4.187 0.020 . 1 . . . . A 134 THR HB . 34547 1 401 . 1 . 1 35 35 THR HG21 H 1 1.156 0.020 . 1 . . . . A 134 THR HG21 . 34547 1 402 . 1 . 1 35 35 THR HG22 H 1 1.156 0.020 . 1 . . . . A 134 THR HG22 . 34547 1 403 . 1 . 1 35 35 THR HG23 H 1 1.156 0.020 . 1 . . . . A 134 THR HG23 . 34547 1 404 . 1 . 1 35 35 THR CA C 13 58.340 0.400 . 1 . . . . A 134 THR CA . 34547 1 405 . 1 . 1 35 35 THR CB C 13 66.590 0.400 . 1 . . . . A 134 THR CB . 34547 1 406 . 1 . 1 35 35 THR CG2 C 13 18.280 0.400 . 1 . . . . A 134 THR CG2 . 34547 1 407 . 1 . 1 35 35 THR N N 15 115.286 0.400 . 1 . . . . A 134 THR N . 34547 1 408 . 1 . 1 36 36 VAL H H 1 8.142 0.020 . 1 . . . . A 135 VAL H . 34547 1 409 . 1 . 1 36 36 VAL HA H 1 4.291 0.020 . 1 . . . . A 135 VAL HA . 34547 1 410 . 1 . 1 36 36 VAL HB H 1 2.101 0.020 . 1 . . . . A 135 VAL HB . 34547 1 411 . 1 . 1 36 36 VAL HG11 H 1 0.925 0.020 . 2 . . . . A 135 VAL HG11 . 34547 1 412 . 1 . 1 36 36 VAL HG12 H 1 0.925 0.020 . 2 . . . . A 135 VAL HG12 . 34547 1 413 . 1 . 1 36 36 VAL HG13 H 1 0.925 0.020 . 2 . . . . A 135 VAL HG13 . 34547 1 414 . 1 . 1 36 36 VAL HG21 H 1 0.925 0.020 . 2 . . . . A 135 VAL HG21 . 34547 1 415 . 1 . 1 36 36 VAL HG22 H 1 0.925 0.020 . 2 . . . . A 135 VAL HG22 . 34547 1 416 . 1 . 1 36 36 VAL HG23 H 1 0.925 0.020 . 2 . . . . A 135 VAL HG23 . 34547 1 417 . 1 . 1 36 36 VAL CA C 13 58.549 0.400 . 1 . . . . A 135 VAL CA . 34547 1 418 . 1 . 1 36 36 VAL CB C 13 30.204 0.400 . 1 . . . . A 135 VAL CB . 34547 1 419 . 1 . 1 36 36 VAL CG1 C 13 18.242 0.400 . 2 . . . . A 135 VAL CG1 . 34547 1 420 . 1 . 1 36 36 VAL CG2 C 13 17.153 0.400 . 2 . . . . A 135 VAL CG2 . 34547 1 421 . 1 . 1 36 36 VAL N N 15 121.196 0.400 . 1 . . . . A 135 VAL N . 34547 1 422 . 1 . 1 37 37 GLU H H 1 8.424 0.020 . 1 . . . . A 136 GLU H . 34547 1 423 . 1 . 1 37 37 GLU HA H 1 4.322 0.020 . 1 . . . . A 136 GLU HA . 34547 1 424 . 1 . 1 37 37 GLU HB2 H 1 2.301 0.020 . 2 . . . . A 136 GLU HB2 . 34547 1 425 . 1 . 1 37 37 GLU HB3 H 1 2.301 0.020 . 2 . . . . A 136 GLU HB3 . 34547 1 426 . 1 . 1 37 37 GLU HG2 H 1 1.947 0.020 . 2 . . . . A 136 GLU HG2 . 34547 1 427 . 1 . 1 37 37 GLU HG3 H 1 2.107 0.020 . 2 . . . . A 136 GLU HG3 . 34547 1 428 . 1 . 1 37 37 GLU C C 13 173.288 0.400 . 1 . . . . A 136 GLU C . 34547 1 429 . 1 . 1 37 37 GLU CA C 13 53.456 0.400 . 1 . . . . A 136 GLU CA . 34547 1 430 . 1 . 1 37 37 GLU CB C 13 32.388 0.400 . 1 . . . . A 136 GLU CB . 34547 1 431 . 1 . 1 37 37 GLU CG C 13 26.904 0.400 . 1 . . . . A 136 GLU CG . 34547 1 432 . 1 . 1 37 37 GLU N N 15 123.911 0.400 . 1 . . . . A 136 GLU N . 34547 1 433 . 1 . 1 38 38 ALA H H 1 8.292 0.020 . 1 . . . . A 137 ALA H . 34547 1 434 . 1 . 1 38 38 ALA HA H 1 4.288 0.020 . 1 . . . . A 137 ALA HA . 34547 1 435 . 1 . 1 38 38 ALA HB1 H 1 1.382 0.020 . 1 . . . . A 137 ALA HB1 . 34547 1 436 . 1 . 1 38 38 ALA HB2 H 1 1.382 0.020 . 1 . . . . A 137 ALA HB2 . 34547 1 437 . 1 . 1 38 38 ALA HB3 H 1 1.382 0.020 . 1 . . . . A 137 ALA HB3 . 34547 1 438 . 1 . 1 38 38 ALA C C 13 174.678 0.400 . 1 . . . . A 137 ALA C . 34547 1 439 . 1 . 1 38 38 ALA CA C 13 49.707 0.400 . 1 . . . . A 137 ALA CA . 34547 1 440 . 1 . 1 38 38 ALA CB C 13 16.293 0.400 . 1 . . . . A 137 ALA CB . 34547 1 441 . 1 . 1 38 38 ALA N N 15 124.105 0.400 . 1 . . . . A 137 ALA N . 34547 1 442 . 1 . 1 39 39 GLU H H 1 8.137 0.020 . 1 . . . . A 138 GLU H . 34547 1 443 . 1 . 1 39 39 GLU HA H 1 4.262 0.020 . 1 . . . . A 138 GLU HA . 34547 1 444 . 1 . 1 39 39 GLU HB2 H 1 1.914 0.020 . 2 . . . . A 138 GLU HB2 . 34547 1 445 . 1 . 1 39 39 GLU HB3 H 1 1.914 0.020 . 2 . . . . A 138 GLU HB3 . 34547 1 446 . 1 . 1 39 39 GLU HG2 H 1 2.118 0.020 . 2 . . . . A 138 GLU HG2 . 34547 1 447 . 1 . 1 39 39 GLU HG3 H 1 2.197 0.020 . 2 . . . . A 138 GLU HG3 . 34547 1 448 . 1 . 1 39 39 GLU C C 13 172.903 0.400 . 1 . . . . A 138 GLU C . 34547 1 449 . 1 . 1 39 39 GLU CA C 13 53.603 0.400 . 1 . . . . A 138 GLU CA . 34547 1 450 . 1 . 1 39 39 GLU CB C 13 26.856 0.400 . 1 . . . . A 138 GLU CB . 34547 1 451 . 1 . 1 39 39 GLU CG C 13 32.490 0.400 . 1 . . . . A 138 GLU CG . 34547 1 452 . 1 . 1 39 39 GLU N N 15 117.459 0.400 . 1 . . . . A 138 GLU N . 34547 1 453 . 1 . 1 40 40 TYR H H 1 7.916 0.020 . 1 . . . . A 139 TYR H . 34547 1 454 . 1 . 1 40 40 TYR HA H 1 4.796 0.020 . 1 . . . . A 139 TYR HA . 34547 1 455 . 1 . 1 40 40 TYR HB2 H 1 2.845 0.020 . 2 . . . . A 139 TYR HB2 . 34547 1 456 . 1 . 1 40 40 TYR HB3 H 1 2.960 0.020 . 2 . . . . A 139 TYR HB3 . 34547 1 457 . 1 . 1 40 40 TYR HD1 H 1 7.119 0.020 . 1 . . . . A 139 TYR HD1 . 34547 1 458 . 1 . 1 40 40 TYR HD2 H 1 7.119 0.020 . 1 . . . . A 139 TYR HD2 . 34547 1 459 . 1 . 1 40 40 TYR CA C 13 52.684 0.400 . 1 . . . . A 139 TYR CA . 34547 1 460 . 1 . 1 40 40 TYR CB C 13 35.389 0.400 . 1 . . . . A 139 TYR CB . 34547 1 461 . 1 . 1 40 40 TYR N N 15 119.908 0.400 . 1 . . . . A 139 TYR N . 34547 1 462 . 1 . 1 41 41 PRO HA H 1 4.340 0.020 . 1 . . . . A 140 PRO HA . 34547 1 463 . 1 . 1 41 41 PRO HB2 H 1 1.669 0.020 . 2 . . . . A 140 PRO HB2 . 34547 1 464 . 1 . 1 41 41 PRO HB3 H 1 2.134 0.020 . 2 . . . . A 140 PRO HB3 . 34547 1 465 . 1 . 1 41 41 PRO HG2 H 1 1.916 0.020 . 2 . . . . A 140 PRO HG2 . 34547 1 466 . 1 . 1 41 41 PRO HG3 H 1 1.781 0.020 . 2 . . . . A 140 PRO HG3 . 34547 1 467 . 1 . 1 41 41 PRO HD2 H 1 3.406 0.020 . 2 . . . . A 140 PRO HD2 . 34547 1 468 . 1 . 1 41 41 PRO HD3 H 1 3.686 0.020 . 2 . . . . A 140 PRO HD3 . 34547 1 469 . 1 . 1 41 41 PRO CA C 13 60.669 0.400 . 1 . . . . A 140 PRO CA . 34547 1 470 . 1 . 1 41 41 PRO CB C 13 28.512 0.400 . 1 . . . . A 140 PRO CB . 34547 1 471 . 1 . 1 41 41 PRO CG C 13 24.178 0.400 . 1 . . . . A 140 PRO CG . 34547 1 472 . 1 . 1 41 41 PRO CD C 13 47.504 0.400 . 1 . . . . A 140 PRO CD . 34547 1 473 . 1 . 1 42 42 PHE H H 1 7.755 0.020 . 1 . . . . A 141 PHE H . 34547 1 474 . 1 . 1 42 42 PHE HA H 1 4.603 0.020 . 1 . . . . A 141 PHE HA . 34547 1 475 . 1 . 1 42 42 PHE HB2 H 1 3.091 0.020 . 2 . . . . A 141 PHE HB2 . 34547 1 476 . 1 . 1 42 42 PHE HB3 H 1 3.249 0.020 . 2 . . . . A 141 PHE HB3 . 34547 1 477 . 1 . 1 42 42 PHE C C 13 172.895 0.400 . 1 . . . . A 141 PHE C . 34547 1 478 . 1 . 1 42 42 PHE CA C 13 54.567 0.400 . 1 . . . . A 141 PHE CA . 34547 1 479 . 1 . 1 42 42 PHE CB C 13 35.676 0.400 . 1 . . . . A 141 PHE CB . 34547 1 480 . 1 . 1 42 42 PHE N N 15 117.257 0.400 . 1 . . . . A 141 PHE N . 34547 1 481 . 1 . 1 43 43 ASN H H 1 8.101 0.020 . 1 . . . . A 142 ASN H . 34547 1 482 . 1 . 1 43 43 ASN HA H 1 4.655 0.020 . 1 . . . . A 142 ASN HA . 34547 1 483 . 1 . 1 43 43 ASN HB2 H 1 2.759 0.020 . 2 . . . . A 142 ASN HB2 . 34547 1 484 . 1 . 1 43 43 ASN HB3 H 1 2.873 0.020 . 2 . . . . A 142 ASN HB3 . 34547 1 485 . 1 . 1 43 43 ASN C C 13 172.536 0.400 . 1 . . . . A 142 ASN C . 34547 1 486 . 1 . 1 43 43 ASN CA C 13 50.310 0.400 . 1 . . . . A 142 ASN CA . 34547 1 487 . 1 . 1 43 43 ASN CB C 13 35.355 0.400 . 1 . . . . A 142 ASN CB . 34547 1 488 . 1 . 1 43 43 ASN N N 15 118.560 0.400 . 1 . . . . A 142 ASN N . 34547 1 489 . 1 . 1 44 44 GLN H H 1 8.222 0.020 . 1 . . . . A 143 GLN H . 34547 1 490 . 1 . 1 44 44 GLN HA H 1 4.379 0.020 . 1 . . . . A 143 GLN HA . 34547 1 491 . 1 . 1 44 44 GLN HB2 H 1 2.009 0.020 . 2 . . . . A 143 GLN HB2 . 34547 1 492 . 1 . 1 44 44 GLN HB3 H 1 2.176 0.020 . 2 . . . . A 143 GLN HB3 . 34547 1 493 . 1 . 1 44 44 GLN HG2 H 1 2.353 0.020 . 2 . . . . A 143 GLN HG2 . 34547 1 494 . 1 . 1 44 44 GLN HG3 H 1 2.353 0.020 . 2 . . . . A 143 GLN HG3 . 34547 1 495 . 1 . 1 44 44 GLN HE21 H 1 7.454 0.020 . 2 . . . . A 143 GLN HE21 . 34547 1 496 . 1 . 1 44 44 GLN HE22 H 1 6.803 0.020 . 2 . . . . A 143 GLN HE22 . 34547 1 497 . 1 . 1 44 44 GLN CA C 13 52.922 0.400 . 1 . . . . A 143 GLN CA . 34547 1 498 . 1 . 1 44 44 GLN CB C 13 26.499 0.400 . 1 . . . . A 143 GLN CB . 34547 1 499 . 1 . 1 44 44 GLN CG C 13 30.855 0.400 . 1 . . . . A 143 GLN CG . 34547 1 500 . 1 . 1 44 44 GLN N N 15 119.234 0.400 . 1 . . . . A 143 GLN N . 34547 1 501 . 1 . 1 44 44 GLN NE2 N 15 111.891 0.400 . 1 . . . . A 143 GLN NE2 . 34547 1 502 . 1 . 1 45 45 SER H H 1 8.248 0.020 . 1 . . . . A 144 SER H . 34547 1 503 . 1 . 1 45 45 SER HA H 1 4.830 0.020 . 1 . . . . A 144 SER HA . 34547 1 504 . 1 . 1 45 45 SER HB2 H 1 3.813 0.020 . 2 . . . . A 144 SER HB2 . 34547 1 505 . 1 . 1 45 45 SER HB3 H 1 3.905 0.020 . 2 . . . . A 144 SER HB3 . 34547 1 506 . 1 . 1 45 45 SER CB C 13 60.633 0.400 . 1 . . . . A 144 SER CB . 34547 1 507 . 1 . 1 45 45 SER N N 15 117.221 0.400 . 1 . . . . A 144 SER N . 34547 1 508 . 1 . 1 46 46 PRO HA H 1 4.574 0.020 . 1 . . . . A 145 PRO HA . 34547 1 509 . 1 . 1 46 46 PRO HB2 H 1 2.209 0.020 . 2 . . . . A 145 PRO HB2 . 34547 1 510 . 1 . 1 46 46 PRO HB3 H 1 1.743 0.020 . 2 . . . . A 145 PRO HB3 . 34547 1 511 . 1 . 1 46 46 PRO HG2 H 1 2.016 0.020 . 2 . . . . A 145 PRO HG2 . 34547 1 512 . 1 . 1 46 46 PRO HG3 H 1 2.016 0.020 . 2 . . . . A 145 PRO HG3 . 34547 1 513 . 1 . 1 46 46 PRO HD2 H 1 3.826 0.020 . 2 . . . . A 145 PRO HD2 . 34547 1 514 . 1 . 1 46 46 PRO HD3 H 1 3.733 0.020 . 2 . . . . A 145 PRO HD3 . 34547 1 515 . 1 . 1 46 46 PRO C C 13 173.042 0.400 . 1 . . . . A 145 PRO C . 34547 1 516 . 1 . 1 46 46 PRO CA C 13 60.040 0.400 . 1 . . . . A 145 PRO CA . 34547 1 517 . 1 . 1 46 46 PRO CB C 13 29.313 0.400 . 1 . . . . A 145 PRO CB . 34547 1 518 . 1 . 1 46 46 PRO CG C 13 24.268 0.400 . 1 . . . . A 145 PRO CG . 34547 1 519 . 1 . 1 46 46 PRO CD C 13 47.710 0.400 . 1 . . . . A 145 PRO CD . 34547 1 520 . 1 . 1 47 47 VAL H H 1 8.330 0.020 . 1 . . . . A 146 VAL H . 34547 1 521 . 1 . 1 47 47 VAL HA H 1 4.304 0.020 . 1 . . . . A 146 VAL HA . 34547 1 522 . 1 . 1 47 47 VAL HB H 1 1.874 0.020 . 1 . . . . A 146 VAL HB . 34547 1 523 . 1 . 1 47 47 VAL HG11 H 1 0.738 0.020 . 2 . . . . A 146 VAL HG11 . 34547 1 524 . 1 . 1 47 47 VAL HG12 H 1 0.738 0.020 . 2 . . . . A 146 VAL HG12 . 34547 1 525 . 1 . 1 47 47 VAL HG13 H 1 0.738 0.020 . 2 . . . . A 146 VAL HG13 . 34547 1 526 . 1 . 1 47 47 VAL HG21 H 1 0.855 0.020 . 2 . . . . A 146 VAL HG21 . 34547 1 527 . 1 . 1 47 47 VAL HG22 H 1 0.855 0.020 . 2 . . . . A 146 VAL HG22 . 34547 1 528 . 1 . 1 47 47 VAL HG23 H 1 0.855 0.020 . 2 . . . . A 146 VAL HG23 . 34547 1 529 . 1 . 1 47 47 VAL CA C 13 58.340 0.400 . 1 . . . . A 146 VAL CA . 34547 1 530 . 1 . 1 47 47 VAL CB C 13 30.060 0.400 . 1 . . . . A 146 VAL CB . 34547 1 531 . 1 . 1 47 47 VAL CG1 C 13 19.006 0.400 . 2 . . . . A 146 VAL CG1 . 34547 1 532 . 1 . 1 47 47 VAL CG2 C 13 17.373 0.400 . 2 . . . . A 146 VAL CG2 . 34547 1 533 . 1 . 1 47 47 VAL N N 15 120.628 0.400 . 1 . . . . A 146 VAL N . 34547 1 534 . 1 . 1 48 48 VAL H H 1 9.040 0.020 . 1 . . . . A 147 VAL H . 34547 1 535 . 1 . 1 48 48 VAL HA H 1 5.704 0.020 . 1 . . . . A 147 VAL HA . 34547 1 536 . 1 . 1 48 48 VAL HB H 1 2.256 0.020 . 1 . . . . A 147 VAL HB . 34547 1 537 . 1 . 1 48 48 VAL HG11 H 1 0.779 0.020 . 2 . . . . A 147 VAL HG11 . 34547 1 538 . 1 . 1 48 48 VAL HG12 H 1 0.779 0.020 . 2 . . . . A 147 VAL HG12 . 34547 1 539 . 1 . 1 48 48 VAL HG13 H 1 0.779 0.020 . 2 . . . . A 147 VAL HG13 . 34547 1 540 . 1 . 1 48 48 VAL HG21 H 1 0.684 0.020 . 2 . . . . A 147 VAL HG21 . 34547 1 541 . 1 . 1 48 48 VAL HG22 H 1 0.684 0.020 . 2 . . . . A 147 VAL HG22 . 34547 1 542 . 1 . 1 48 48 VAL HG23 H 1 0.684 0.020 . 2 . . . . A 147 VAL HG23 . 34547 1 543 . 1 . 1 48 48 VAL N N 15 116.972 0.400 . 1 . . . . A 147 VAL N . 34547 1 544 . 1 . 1 49 49 THR H H 1 8.442 0.020 . 1 . . . . A 148 THR H . 34547 1 545 . 1 . 1 49 49 THR HA H 1 4.906 0.020 . 1 . . . . A 148 THR HA . 34547 1 546 . 1 . 1 49 49 THR HB H 1 4.236 0.020 . 1 . . . . A 148 THR HB . 34547 1 547 . 1 . 1 49 49 THR HG21 H 1 0.937 0.020 . 1 . . . . A 148 THR HG21 . 34547 1 548 . 1 . 1 49 49 THR HG22 H 1 0.937 0.020 . 1 . . . . A 148 THR HG22 . 34547 1 549 . 1 . 1 49 49 THR HG23 H 1 0.937 0.020 . 1 . . . . A 148 THR HG23 . 34547 1 550 . 1 . 1 49 49 THR C C 13 171.816 0.400 . 1 . . . . A 148 THR C . 34547 1 551 . 1 . 1 49 49 THR CA C 13 58.020 0.400 . 1 . . . . A 148 THR CA . 34547 1 552 . 1 . 1 49 49 THR CB C 13 67.765 0.400 . 1 . . . . A 148 THR CB . 34547 1 553 . 1 . 1 49 49 THR CG2 C 13 18.598 0.400 . 1 . . . . A 148 THR CG2 . 34547 1 554 . 1 . 1 49 49 THR N N 15 107.103 0.400 . 1 . . . . A 148 THR N . 34547 1 555 . 1 . 1 50 50 ARG H H 1 7.623 0.020 . 1 . . . . A 149 ARG H . 34547 1 556 . 1 . 1 50 50 ARG HA H 1 5.631 0.020 . 1 . . . . A 149 ARG HA . 34547 1 557 . 1 . 1 50 50 ARG HB2 H 1 2.171 0.020 . 1 . . . . A 149 ARG HB2 . 34547 1 558 . 1 . 1 50 50 ARG HB3 H 1 1.569 0.020 . 1 . . . . A 149 ARG HB3 . 34547 1 559 . 1 . 1 50 50 ARG HG2 H 1 1.712 0.020 . 2 . . . . A 149 ARG HG2 . 34547 1 560 . 1 . 1 50 50 ARG HG3 H 1 2.247 0.020 . 2 . . . . A 149 ARG HG3 . 34547 1 561 . 1 . 1 50 50 ARG HD2 H 1 3.184 0.020 . 2 . . . . A 149 ARG HD2 . 34547 1 562 . 1 . 1 50 50 ARG HD3 H 1 3.184 0.020 . 2 . . . . A 149 ARG HD3 . 34547 1 563 . 1 . 1 50 50 ARG HE H 1 6.011 0.020 . 1 . . . . A 149 ARG HE . 34547 1 564 . 1 . 1 50 50 ARG C C 13 173.378 0.400 . 1 . . . . A 149 ARG C . 34547 1 565 . 1 . 1 50 50 ARG CA C 13 51.979 0.400 . 1 . . . . A 149 ARG CA . 34547 1 566 . 1 . 1 50 50 ARG CB C 13 33.261 0.400 . 1 . . . . A 149 ARG CB . 34547 1 567 . 1 . 1 50 50 ARG CG C 13 27.616 0.400 . 1 . . . . A 149 ARG CG . 34547 1 568 . 1 . 1 50 50 ARG CD C 13 39.968 0.400 . 1 . . . . A 149 ARG CD . 34547 1 569 . 1 . 1 50 50 ARG N N 15 120.370 0.400 . 1 . . . . A 149 ARG N . 34547 1 570 . 1 . 1 50 50 ARG NE N 15 89.377 0.400 . 1 . . . . A 149 ARG NE . 34547 1 571 . 1 . 1 51 51 SER H H 1 8.709 0.020 . 1 . . . . A 150 SER H . 34547 1 572 . 1 . 1 51 51 SER HA H 1 4.790 0.020 . 1 . . . . A 150 SER HA . 34547 1 573 . 1 . 1 51 51 SER HB2 H 1 3.874 0.020 . 2 . . . . A 150 SER HB2 . 34547 1 574 . 1 . 1 51 51 SER HB3 H 1 3.874 0.020 . 2 . . . . A 150 SER HB3 . 34547 1 575 . 1 . 1 51 51 SER C C 13 171.473 0.400 . 1 . . . . A 150 SER C . 34547 1 576 . 1 . 1 51 51 SER CA C 13 54.647 0.400 . 1 . . . . A 150 SER CA . 34547 1 577 . 1 . 1 51 51 SER CB C 13 63.412 0.400 . 1 . . . . A 150 SER CB . 34547 1 578 . 1 . 1 51 51 SER N N 15 113.789 0.400 . 1 . . . . A 150 SER N . 34547 1 579 . 1 . 1 52 52 CYS H H 1 8.473 0.020 . 1 . . . . A 151 CYS H . 34547 1 580 . 1 . 1 52 52 CYS HA H 1 5.141 0.020 . 1 . . . . A 151 CYS HA . 34547 1 581 . 1 . 1 52 52 CYS HB2 H 1 3.189 0.020 . 1 . . . . A 151 CYS HB2 . 34547 1 582 . 1 . 1 52 52 CYS HB3 H 1 3.127 0.020 . 1 . . . . A 151 CYS HB3 . 34547 1 583 . 1 . 1 52 52 CYS C C 13 173.280 0.400 . 1 . . . . A 151 CYS C . 34547 1 584 . 1 . 1 52 52 CYS CA C 13 55.095 0.400 . 1 . . . . A 151 CYS CA . 34547 1 585 . 1 . 1 52 52 CYS CB C 13 42.021 0.400 . 1 . . . . A 151 CYS CB . 34547 1 586 . 1 . 1 52 52 CYS N N 15 120.824 0.400 . 1 . . . . A 151 CYS N . 34547 1 587 . 1 . 1 53 53 SER H H 1 9.052 0.020 . 1 . . . . A 152 SER H . 34547 1 588 . 1 . 1 53 53 SER HA H 1 4.834 0.020 . 1 . . . . A 152 SER HA . 34547 1 589 . 1 . 1 53 53 SER HB2 H 1 3.688 0.020 . 1 . . . . A 152 SER HB2 . 34547 1 590 . 1 . 1 53 53 SER HB3 H 1 3.235 0.020 . 1 . . . . A 152 SER HB3 . 34547 1 591 . 1 . 1 53 53 SER C C 13 171.203 0.400 . 1 . . . . A 152 SER C . 34547 1 592 . 1 . 1 53 53 SER CA C 13 54.771 0.400 . 1 . . . . A 152 SER CA . 34547 1 593 . 1 . 1 53 53 SER CB C 13 62.761 0.400 . 1 . . . . A 152 SER CB . 34547 1 594 . 1 . 1 53 53 SER N N 15 115.253 0.400 . 1 . . . . A 152 SER N . 34547 1 595 . 1 . 1 54 54 SER H H 1 8.783 0.020 . 1 . . . . A 153 SER H . 34547 1 596 . 1 . 1 54 54 SER HA H 1 4.930 0.020 . 1 . . . . A 153 SER HA . 34547 1 597 . 1 . 1 54 54 SER HB2 H 1 4.160 0.020 . 1 . . . . A 153 SER HB2 . 34547 1 598 . 1 . 1 54 54 SER HB3 H 1 4.010 0.020 . 1 . . . . A 153 SER HB3 . 34547 1 599 . 1 . 1 54 54 SER C C 13 172.176 0.400 . 1 . . . . A 153 SER C . 34547 1 600 . 1 . 1 54 54 SER CA C 13 55.479 0.400 . 1 . . . . A 153 SER CA . 34547 1 601 . 1 . 1 54 54 SER CB C 13 61.137 0.400 . 1 . . . . A 153 SER CB . 34547 1 602 . 1 . 1 54 54 SER N N 15 120.787 0.400 . 1 . . . . A 153 SER N . 34547 1 603 . 1 . 1 55 55 SER H H 1 8.300 0.020 . 1 . . . . A 154 SER H . 34547 1 604 . 1 . 1 55 55 SER HA H 1 4.555 0.020 . 1 . . . . A 154 SER HA . 34547 1 605 . 1 . 1 55 55 SER HB2 H 1 3.872 0.020 . 1 . . . . A 154 SER HB2 . 34547 1 606 . 1 . 1 55 55 SER HB3 H 1 3.717 0.020 . 1 . . . . A 154 SER HB3 . 34547 1 607 . 1 . 1 55 55 SER C C 13 169.952 0.400 . 1 . . . . A 154 SER C . 34547 1 608 . 1 . 1 55 55 SER CA C 13 54.084 0.400 . 1 . . . . A 154 SER CA . 34547 1 609 . 1 . 1 55 55 SER CB C 13 60.141 0.400 . 1 . . . . A 154 SER CB . 34547 1 610 . 1 . 1 55 55 SER N N 15 117.808 0.400 . 1 . . . . A 154 SER N . 34547 1 611 . 1 . 1 56 56 CYS H H 1 8.668 0.020 . 1 . . . . A 155 CYS H . 34547 1 612 . 1 . 1 56 56 CYS HA H 1 4.372 0.020 . 1 . . . . A 155 CYS HA . 34547 1 613 . 1 . 1 56 56 CYS HB2 H 1 2.619 0.020 . 1 . . . . A 155 CYS HB2 . 34547 1 614 . 1 . 1 56 56 CYS HB3 H 1 3.007 0.020 . 1 . . . . A 155 CYS HB3 . 34547 1 615 . 1 . 1 56 56 CYS C C 13 171.146 0.400 . 1 . . . . A 155 CYS C . 34547 1 616 . 1 . 1 56 56 CYS CA C 13 55.638 0.400 . 1 . . . . A 155 CYS CA . 34547 1 617 . 1 . 1 56 56 CYS CB C 13 37.300 0.400 . 1 . . . . A 155 CYS CB . 34547 1 618 . 1 . 1 56 56 CYS N N 15 125.978 0.400 . 1 . . . . A 155 CYS N . 34547 1 619 . 1 . 1 57 57 VAL H H 1 8.239 0.020 . 1 . . . . A 156 VAL H . 34547 1 620 . 1 . 1 57 57 VAL HA H 1 4.165 0.020 . 1 . . . . A 156 VAL HA . 34547 1 621 . 1 . 1 57 57 VAL HB H 1 1.984 0.020 . 1 . . . . A 156 VAL HB . 34547 1 622 . 1 . 1 57 57 VAL HG11 H 1 0.928 0.020 . 1 . . . . A 156 VAL HG11 . 34547 1 623 . 1 . 1 57 57 VAL HG12 H 1 0.928 0.020 . 1 . . . . A 156 VAL HG12 . 34547 1 624 . 1 . 1 57 57 VAL HG13 H 1 0.928 0.020 . 1 . . . . A 156 VAL HG13 . 34547 1 625 . 1 . 1 57 57 VAL HG21 H 1 0.890 0.020 . 1 . . . . A 156 VAL HG21 . 34547 1 626 . 1 . 1 57 57 VAL HG22 H 1 0.890 0.020 . 1 . . . . A 156 VAL HG22 . 34547 1 627 . 1 . 1 57 57 VAL HG23 H 1 0.890 0.020 . 1 . . . . A 156 VAL HG23 . 34547 1 628 . 1 . 1 57 57 VAL C C 13 171.603 0.400 . 1 . . . . A 156 VAL C . 34547 1 629 . 1 . 1 57 57 VAL CA C 13 58.943 0.400 . 1 . . . . A 156 VAL CA . 34547 1 630 . 1 . 1 57 57 VAL CB C 13 30.381 0.400 . 1 . . . . A 156 VAL CB . 34547 1 631 . 1 . 1 57 57 VAL CG1 C 13 17.976 0.400 . 2 . . . . A 156 VAL CG1 . 34547 1 632 . 1 . 1 57 57 VAL CG2 C 13 17.460 0.400 . 2 . . . . A 156 VAL CG2 . 34547 1 633 . 1 . 1 57 57 VAL N N 15 129.527 0.400 . 1 . . . . A 156 VAL N . 34547 1 634 . 1 . 1 58 58 ALA H H 1 8.414 0.020 . 1 . . . . A 157 ALA H . 34547 1 635 . 1 . 1 58 58 ALA HA H 1 4.142 0.020 . 1 . . . . A 157 ALA HA . 34547 1 636 . 1 . 1 58 58 ALA HB1 H 1 1.438 0.020 . 1 . . . . A 157 ALA HB1 . 34547 1 637 . 1 . 1 58 58 ALA HB2 H 1 1.438 0.020 . 1 . . . . A 157 ALA HB2 . 34547 1 638 . 1 . 1 58 58 ALA HB3 H 1 1.438 0.020 . 1 . . . . A 157 ALA HB3 . 34547 1 639 . 1 . 1 58 58 ALA C C 13 175.610 0.400 . 1 . . . . A 157 ALA C . 34547 1 640 . 1 . 1 58 58 ALA CA C 13 49.047 0.400 . 1 . . . . A 157 ALA CA . 34547 1 641 . 1 . 1 58 58 ALA CB C 13 16.567 0.400 . 1 . . . . A 157 ALA CB . 34547 1 642 . 1 . 1 58 58 ALA N N 15 130.280 0.400 . 1 . . . . A 157 ALA N . 34547 1 643 . 1 . 1 59 59 THR H H 1 8.219 0.020 . 1 . . . . A 158 THR H . 34547 1 644 . 1 . 1 59 59 THR HA H 1 4.214 0.020 . 1 . . . . A 158 THR HA . 34547 1 645 . 1 . 1 59 59 THR HB H 1 4.039 0.020 . 1 . . . . A 158 THR HB . 34547 1 646 . 1 . 1 59 59 THR HG21 H 1 1.318 0.020 . 1 . . . . A 158 THR HG21 . 34547 1 647 . 1 . 1 59 59 THR HG22 H 1 1.318 0.020 . 1 . . . . A 158 THR HG22 . 34547 1 648 . 1 . 1 59 59 THR HG23 H 1 1.318 0.020 . 1 . . . . A 158 THR HG23 . 34547 1 649 . 1 . 1 59 59 THR C C 13 171.710 0.400 . 1 . . . . A 158 THR C . 34547 1 650 . 1 . 1 59 59 THR CA C 13 59.207 0.400 . 1 . . . . A 158 THR CA . 34547 1 651 . 1 . 1 59 59 THR CB C 13 66.814 0.400 . 1 . . . . A 158 THR CB . 34547 1 652 . 1 . 1 59 59 THR CG2 C 13 19.192 0.400 . 1 . . . . A 158 THR CG2 . 34547 1 653 . 1 . 1 59 59 THR N N 15 115.127 0.400 . 1 . . . . A 158 THR N . 34547 1 654 . 1 . 1 60 60 ASP H H 1 8.548 0.020 . 1 . . . . A 159 ASP H . 34547 1 655 . 1 . 1 60 60 ASP HA H 1 4.858 0.020 . 1 . . . . A 159 ASP HA . 34547 1 656 . 1 . 1 60 60 ASP HB2 H 1 2.682 0.020 . 1 . . . . A 159 ASP HB2 . 34547 1 657 . 1 . 1 60 60 ASP HB3 H 1 2.782 0.020 . 1 . . . . A 159 ASP HB3 . 34547 1 658 . 1 . 1 60 60 ASP CA C 13 49.315 0.400 . 1 . . . . A 159 ASP CA . 34547 1 659 . 1 . 1 60 60 ASP CB C 13 38.260 0.400 . 1 . . . . A 159 ASP CB . 34547 1 660 . 1 . 1 60 60 ASP N N 15 125.274 0.400 . 1 . . . . A 159 ASP N . 34547 1 661 . 1 . 1 61 61 PRO HA H 1 4.380 0.020 . 1 . . . . A 160 PRO HA . 34547 1 662 . 1 . 1 61 61 PRO HB2 H 1 2.025 0.020 . 2 . . . . A 160 PRO HB2 . 34547 1 663 . 1 . 1 61 61 PRO HB3 H 1 2.363 0.020 . 2 . . . . A 160 PRO HB3 . 34547 1 664 . 1 . 1 61 61 PRO HG2 H 1 2.071 0.020 . 2 . . . . A 160 PRO HG2 . 34547 1 665 . 1 . 1 61 61 PRO HG3 H 1 2.071 0.020 . 2 . . . . A 160 PRO HG3 . 34547 1 666 . 1 . 1 61 61 PRO HD2 H 1 3.956 0.020 . 2 . . . . A 160 PRO HD2 . 34547 1 667 . 1 . 1 61 61 PRO HD3 H 1 3.875 0.020 . 2 . . . . A 160 PRO HD3 . 34547 1 668 . 1 . 1 61 61 PRO C C 13 174.326 0.400 . 1 . . . . A 160 PRO C . 34547 1 669 . 1 . 1 61 61 PRO CA C 13 61.319 0.400 . 1 . . . . A 160 PRO CA . 34547 1 670 . 1 . 1 61 61 PRO CB C 13 29.002 0.400 . 1 . . . . A 160 PRO CB . 34547 1 671 . 1 . 1 61 61 PRO CG C 13 24.222 0.400 . 1 . . . . A 160 PRO CG . 34547 1 672 . 1 . 1 61 61 PRO CD C 13 48.009 0.400 . 1 . . . . A 160 PRO CD . 34547 1 673 . 1 . 1 62 62 ASP H H 1 8.402 0.020 . 1 . . . . A 161 ASP H . 34547 1 674 . 1 . 1 62 62 ASP HA H 1 4.709 0.020 . 1 . . . . A 161 ASP HA . 34547 1 675 . 1 . 1 62 62 ASP HB2 H 1 2.706 0.020 . 2 . . . . A 161 ASP HB2 . 34547 1 676 . 1 . 1 62 62 ASP HB3 H 1 2.780 0.020 . 2 . . . . A 161 ASP HB3 . 34547 1 677 . 1 . 1 62 62 ASP C C 13 173.598 0.400 . 1 . . . . A 161 ASP C . 34547 1 678 . 1 . 1 62 62 ASP CA C 13 51.383 0.400 . 1 . . . . A 161 ASP CA . 34547 1 679 . 1 . 1 62 62 ASP CB C 13 37.609 0.400 . 1 . . . . A 161 ASP CB . 34547 1 680 . 1 . 1 62 62 ASP N N 15 116.981 0.400 . 1 . . . . A 161 ASP N . 34547 1 681 . 1 . 1 63 63 SER H H 1 7.865 0.020 . 1 . . . . A 162 SER H . 34547 1 682 . 1 . 1 63 63 SER HA H 1 4.477 0.020 . 1 . . . . A 162 SER HA . 34547 1 683 . 1 . 1 63 63 SER HB2 H 1 3.913 0.020 . 2 . . . . A 162 SER HB2 . 34547 1 684 . 1 . 1 63 63 SER HB3 H 1 3.913 0.020 . 2 . . . . A 162 SER HB3 . 34547 1 685 . 1 . 1 63 63 SER C C 13 171.881 0.400 . 1 . . . . A 162 SER C . 34547 1 686 . 1 . 1 63 63 SER CA C 13 55.371 0.400 . 1 . . . . A 162 SER CA . 34547 1 687 . 1 . 1 63 63 SER CB C 13 60.763 0.400 . 1 . . . . A 162 SER CB . 34547 1 688 . 1 . 1 63 63 SER N N 15 115.678 0.400 . 1 . . . . A 162 SER N . 34547 1 689 . 1 . 1 64 64 ILE H H 1 8.098 0.020 . 1 . . . . A 163 ILE H . 34547 1 690 . 1 . 1 64 64 ILE HA H 1 4.190 0.020 . 1 . . . . A 163 ILE HA . 34547 1 691 . 1 . 1 64 64 ILE HB H 1 1.917 0.020 . 1 . . . . A 163 ILE HB . 34547 1 692 . 1 . 1 64 64 ILE HG12 H 1 1.533 0.020 . 2 . . . . A 163 ILE HG12 . 34547 1 693 . 1 . 1 64 64 ILE HG13 H 1 1.249 0.020 . 2 . . . . A 163 ILE HG13 . 34547 1 694 . 1 . 1 64 64 ILE HG21 H 1 0.946 0.020 . 1 . . . . A 163 ILE HG21 . 34547 1 695 . 1 . 1 64 64 ILE HG22 H 1 0.946 0.020 . 1 . . . . A 163 ILE HG22 . 34547 1 696 . 1 . 1 64 64 ILE HG23 H 1 0.946 0.020 . 1 . . . . A 163 ILE HG23 . 34547 1 697 . 1 . 1 64 64 ILE HD11 H 1 0.901 0.020 . 1 . . . . A 163 ILE HD11 . 34547 1 698 . 1 . 1 64 64 ILE HD12 H 1 0.901 0.020 . 1 . . . . A 163 ILE HD12 . 34547 1 699 . 1 . 1 64 64 ILE HD13 H 1 0.901 0.020 . 1 . . . . A 163 ILE HD13 . 34547 1 700 . 1 . 1 64 64 ILE C C 13 174.441 0.400 . 1 . . . . A 163 ILE C . 34547 1 701 . 1 . 1 64 64 ILE CA C 13 58.539 0.400 . 1 . . . . A 163 ILE CA . 34547 1 702 . 1 . 1 64 64 ILE CB C 13 35.563 0.400 . 1 . . . . A 163 ILE CB . 34547 1 703 . 1 . 1 64 64 ILE CG1 C 13 24.379 0.400 . 1 . . . . A 163 ILE CG1 . 34547 1 704 . 1 . 1 64 64 ILE CG2 C 13 14.416 0.400 . 1 . . . . A 163 ILE CG2 . 34547 1 705 . 1 . 1 64 64 ILE CD1 C 13 9.943 0.400 . 1 . . . . A 163 ILE CD1 . 34547 1 706 . 1 . 1 64 64 ILE N N 15 122.425 0.400 . 1 . . . . A 163 ILE N . 34547 1 707 . 1 . 1 65 65 GLY H H 1 8.564 0.020 . 1 . . . . A 164 GLY H . 34547 1 708 . 1 . 1 65 65 GLY HA2 H 1 3.991 0.020 . 1 . . . . A 164 GLY HA2 . 34547 1 709 . 1 . 1 65 65 GLY HA3 H 1 3.881 0.020 . 1 . . . . A 164 GLY HA3 . 34547 1 710 . 1 . 1 65 65 GLY C C 13 171.530 0.400 . 1 . . . . A 164 GLY C . 34547 1 711 . 1 . 1 65 65 GLY CA C 13 42.342 0.400 . 1 . . . . A 164 GLY CA . 34547 1 712 . 1 . 1 65 65 GLY N N 15 112.830 0.400 . 1 . . . . A 164 GLY N . 34547 1 713 . 1 . 1 66 66 ALA H H 1 7.901 0.020 . 1 . . . . A 165 ALA H . 34547 1 714 . 1 . 1 66 66 ALA HA H 1 4.318 0.020 . 1 . . . . A 165 ALA HA . 34547 1 715 . 1 . 1 66 66 ALA HB1 H 1 1.388 0.020 . 1 . . . . A 165 ALA HB1 . 34547 1 716 . 1 . 1 66 66 ALA HB2 H 1 1.388 0.020 . 1 . . . . A 165 ALA HB2 . 34547 1 717 . 1 . 1 66 66 ALA HB3 H 1 1.388 0.020 . 1 . . . . A 165 ALA HB3 . 34547 1 718 . 1 . 1 66 66 ALA C C 13 174.596 0.400 . 1 . . . . A 165 ALA C . 34547 1 719 . 1 . 1 66 66 ALA CA C 13 49.188 0.400 . 1 . . . . A 165 ALA CA . 34547 1 720 . 1 . 1 66 66 ALA CB C 13 16.158 0.400 . 1 . . . . A 165 ALA CB . 34547 1 721 . 1 . 1 66 66 ALA N N 15 123.606 0.400 . 1 . . . . A 165 ALA N . 34547 1 722 . 1 . 1 67 67 ALA H H 1 8.243 0.020 . 1 . . . . A 166 ALA H . 34547 1 723 . 1 . 1 67 67 ALA HA H 1 4.232 0.020 . 1 . . . . A 166 ALA HA . 34547 1 724 . 1 . 1 67 67 ALA HB1 H 1 1.330 0.020 . 1 . . . . A 166 ALA HB1 . 34547 1 725 . 1 . 1 67 67 ALA HB2 H 1 1.330 0.020 . 1 . . . . A 166 ALA HB2 . 34547 1 726 . 1 . 1 67 67 ALA HB3 H 1 1.330 0.020 . 1 . . . . A 166 ALA HB3 . 34547 1 727 . 1 . 1 67 67 ALA C C 13 174.637 0.400 . 1 . . . . A 166 ALA C . 34547 1 728 . 1 . 1 67 67 ALA CA C 13 49.778 0.400 . 1 . . . . A 166 ALA CA . 34547 1 729 . 1 . 1 67 67 ALA CB C 13 16.171 0.400 . 1 . . . . A 166 ALA CB . 34547 1 730 . 1 . 1 67 67 ALA N N 15 122.736 0.400 . 1 . . . . A 166 ALA N . 34547 1 731 . 1 . 1 68 68 HIS H H 1 7.931 0.020 . 1 . . . . A 167 HIS H . 34547 1 732 . 1 . 1 68 68 HIS HA H 1 4.987 0.020 . 1 . . . . A 167 HIS HA . 34547 1 733 . 1 . 1 68 68 HIS HB2 H 1 3.022 0.020 . 1 . . . . A 167 HIS HB2 . 34547 1 734 . 1 . 1 68 68 HIS HB3 H 1 3.181 0.020 . 1 . . . . A 167 HIS HB3 . 34547 1 735 . 1 . 1 68 68 HIS HD2 H 1 7.150 0.020 . 1 . . . . A 167 HIS HD2 . 34547 1 736 . 1 . 1 68 68 HIS HE1 H 1 8.459 0.020 . 1 . . . . A 167 HIS HE1 . 34547 1 737 . 1 . 1 68 68 HIS C C 13 170.835 0.400 . 1 . . . . A 167 HIS C . 34547 1 738 . 1 . 1 68 68 HIS CA C 13 51.148 0.400 . 1 . . . . A 167 HIS CA . 34547 1 739 . 1 . 1 68 68 HIS CB C 13 27.221 0.400 . 1 . . . . A 167 HIS CB . 34547 1 740 . 1 . 1 68 68 HIS CD2 C 13 119.043 0.400 . 1 . . . . A 167 HIS CD2 . 34547 1 741 . 1 . 1 68 68 HIS CE1 C 13 136.075 0.400 . 1 . . . . A 167 HIS CE1 . 34547 1 742 . 1 . 1 68 68 HIS N N 15 114.237 0.400 . 1 . . . . A 167 HIS N . 34547 1 743 . 1 . 1 69 69 LEU H H 1 8.371 0.020 . 1 . . . . A 168 LEU H . 34547 1 744 . 1 . 1 69 69 LEU HA H 1 4.480 0.020 . 1 . . . . A 168 LEU HA . 34547 1 745 . 1 . 1 69 69 LEU HB2 H 1 1.708 0.020 . 1 . . . . A 168 LEU HB2 . 34547 1 746 . 1 . 1 69 69 LEU HB3 H 1 1.402 0.020 . 1 . . . . A 168 LEU HB3 . 34547 1 747 . 1 . 1 69 69 LEU HG H 1 1.597 0.020 . 1 . . . . A 168 LEU HG . 34547 1 748 . 1 . 1 69 69 LEU HD11 H 1 0.968 0.020 . 2 . . . . A 168 LEU HD11 . 34547 1 749 . 1 . 1 69 69 LEU HD12 H 1 0.968 0.020 . 2 . . . . A 168 LEU HD12 . 34547 1 750 . 1 . 1 69 69 LEU HD13 H 1 0.968 0.020 . 2 . . . . A 168 LEU HD13 . 34547 1 751 . 1 . 1 69 69 LEU HD21 H 1 0.875 0.020 . 2 . . . . A 168 LEU HD21 . 34547 1 752 . 1 . 1 69 69 LEU HD22 H 1 0.875 0.020 . 2 . . . . A 168 LEU HD22 . 34547 1 753 . 1 . 1 69 69 LEU HD23 H 1 0.875 0.020 . 2 . . . . A 168 LEU HD23 . 34547 1 754 . 1 . 1 69 69 LEU C C 13 172.045 0.400 . 1 . . . . A 168 LEU C . 34547 1 755 . 1 . 1 69 69 LEU CA C 13 52.044 0.400 . 1 . . . . A 168 LEU CA . 34547 1 756 . 1 . 1 69 69 LEU CB C 13 40.719 0.400 . 1 . . . . A 168 LEU CB . 34547 1 757 . 1 . 1 69 69 LEU CG C 13 24.162 0.400 . 1 . . . . A 168 LEU CG . 34547 1 758 . 1 . 1 69 69 LEU CD1 C 13 22.243 0.400 . 2 . . . . A 168 LEU CD1 . 34547 1 759 . 1 . 1 69 69 LEU CD2 C 13 20.887 0.400 . 2 . . . . A 168 LEU CD2 . 34547 1 760 . 1 . 1 69 69 LEU N N 15 123.034 0.400 . 1 . . . . A 168 LEU N . 34547 1 761 . 1 . 1 70 70 ILE H H 1 8.097 0.020 . 1 . . . . A 169 ILE H . 34547 1 762 . 1 . 1 70 70 ILE HA H 1 4.907 0.020 . 1 . . . . A 169 ILE HA . 34547 1 763 . 1 . 1 70 70 ILE HB H 1 1.775 0.020 . 1 . . . . A 169 ILE HB . 34547 1 764 . 1 . 1 70 70 ILE HG12 H 1 1.491 0.020 . 2 . . . . A 169 ILE HG12 . 34547 1 765 . 1 . 1 70 70 ILE HG13 H 1 1.217 0.020 . 2 . . . . A 169 ILE HG13 . 34547 1 766 . 1 . 1 70 70 ILE HG21 H 1 0.872 0.020 . 1 . . . . A 169 ILE HG21 . 34547 1 767 . 1 . 1 70 70 ILE HG22 H 1 0.872 0.020 . 1 . . . . A 169 ILE HG22 . 34547 1 768 . 1 . 1 70 70 ILE HG23 H 1 0.872 0.020 . 1 . . . . A 169 ILE HG23 . 34547 1 769 . 1 . 1 70 70 ILE HD11 H 1 0.873 0.020 . 1 . . . . A 169 ILE HD11 . 34547 1 770 . 1 . 1 70 70 ILE HD12 H 1 0.873 0.020 . 1 . . . . A 169 ILE HD12 . 34547 1 771 . 1 . 1 70 70 ILE HD13 H 1 0.873 0.020 . 1 . . . . A 169 ILE HD13 . 34547 1 772 . 1 . 1 70 70 ILE C C 13 172.715 0.400 . 1 . . . . A 169 ILE C . 34547 1 773 . 1 . 1 70 70 ILE CA C 13 56.856 0.400 . 1 . . . . A 169 ILE CA . 34547 1 774 . 1 . 1 70 70 ILE CB C 13 37.464 0.400 . 1 . . . . A 169 ILE CB . 34547 1 775 . 1 . 1 70 70 ILE CG1 C 13 24.743 0.400 . 1 . . . . A 169 ILE CG1 . 34547 1 776 . 1 . 1 70 70 ILE CG2 C 13 15.972 0.400 . 1 . . . . A 169 ILE CG2 . 34547 1 777 . 1 . 1 70 70 ILE CD1 C 13 10.306 0.400 . 1 . . . . A 169 ILE CD1 . 34547 1 778 . 1 . 1 70 70 ILE N N 15 121.493 0.400 . 1 . . . . A 169 ILE N . 34547 1 779 . 1 . 1 71 71 PHE H H 1 9.246 0.020 . 1 . . . . A 170 PHE H . 34547 1 780 . 1 . 1 71 71 PHE HA H 1 4.930 0.020 . 1 . . . . A 170 PHE HA . 34547 1 781 . 1 . 1 71 71 PHE HB2 H 1 2.823 0.020 . 1 . . . . A 170 PHE HB2 . 34547 1 782 . 1 . 1 71 71 PHE HB3 H 1 3.209 0.020 . 1 . . . . A 170 PHE HB3 . 34547 1 783 . 1 . 1 71 71 PHE HD1 H 1 7.173 0.020 . 1 . . . . A 170 PHE HD1 . 34547 1 784 . 1 . 1 71 71 PHE HD2 H 1 7.173 0.020 . 1 . . . . A 170 PHE HD2 . 34547 1 785 . 1 . 1 71 71 PHE HE1 H 1 7.240 0.020 . 1 . . . . A 170 PHE HE1 . 34547 1 786 . 1 . 1 71 71 PHE HE2 H 1 7.240 0.020 . 1 . . . . A 170 PHE HE2 . 34547 1 787 . 1 . 1 71 71 PHE HZ H 1 7.408 0.020 . 1 . . . . A 170 PHE HZ . 34547 1 788 . 1 . 1 71 71 PHE C C 13 172.315 0.400 . 1 . . . . A 170 PHE C . 34547 1 789 . 1 . 1 71 71 PHE CA C 13 52.803 0.400 . 1 . . . . A 170 PHE CA . 34547 1 790 . 1 . 1 71 71 PHE CB C 13 38.773 0.400 . 1 . . . . A 170 PHE CB . 34547 1 791 . 1 . 1 71 71 PHE N N 15 125.500 0.400 . 1 . . . . A 170 PHE N . 34547 1 792 . 1 . 1 72 72 CYS H H 1 8.577 0.020 . 1 . . . . A 171 CYS H . 34547 1 793 . 1 . 1 72 72 CYS HA H 1 5.361 0.020 . 1 . . . . A 171 CYS HA . 34547 1 794 . 1 . 1 72 72 CYS HB2 H 1 2.697 0.020 . 2 . . . . A 171 CYS HB2 . 34547 1 795 . 1 . 1 72 72 CYS HB3 H 1 2.697 0.020 . 2 . . . . A 171 CYS HB3 . 34547 1 796 . 1 . 1 72 72 CYS C C 13 170.124 0.400 . 1 . . . . A 171 CYS C . 34547 1 797 . 1 . 1 72 72 CYS CA C 13 49.869 0.400 . 1 . . . . A 171 CYS CA . 34547 1 798 . 1 . 1 72 72 CYS CB C 13 42.371 0.400 . 1 . . . . A 171 CYS CB . 34547 1 799 . 1 . 1 72 72 CYS N N 15 118.630 0.400 . 1 . . . . A 171 CYS N . 34547 1 800 . 1 . 1 73 73 CYS H H 1 8.679 0.020 . 1 . . . . A 172 CYS H . 34547 1 801 . 1 . 1 73 73 CYS HA H 1 4.459 0.020 . 1 . . . . A 172 CYS HA . 34547 1 802 . 1 . 1 73 73 CYS HB2 H 1 3.458 0.020 . 1 . . . . A 172 CYS HB2 . 34547 1 803 . 1 . 1 73 73 CYS HB3 H 1 3.253 0.020 . 1 . . . . A 172 CYS HB3 . 34547 1 804 . 1 . 1 73 73 CYS C C 13 171.097 0.400 . 1 . . . . A 172 CYS C . 34547 1 805 . 1 . 1 73 73 CYS CA C 13 51.892 0.400 . 1 . . . . A 172 CYS CA . 34547 1 806 . 1 . 1 73 73 CYS CB C 13 41.131 0.400 . 1 . . . . A 172 CYS CB . 34547 1 807 . 1 . 1 73 73 CYS N N 15 118.255 0.400 . 1 . . . . A 172 CYS N . 34547 1 808 . 1 . 1 74 74 PHE H H 1 8.810 0.020 . 1 . . . . A 173 PHE H . 34547 1 809 . 1 . 1 74 74 PHE HA H 1 5.148 0.020 . 1 . . . . A 173 PHE HA . 34547 1 810 . 1 . 1 74 74 PHE HB2 H 1 2.813 0.020 . 1 . . . . A 173 PHE HB2 . 34547 1 811 . 1 . 1 74 74 PHE HB3 H 1 3.753 0.020 . 1 . . . . A 173 PHE HB3 . 34547 1 812 . 1 . 1 74 74 PHE HD1 H 1 7.501 0.020 . 1 . . . . A 173 PHE HD1 . 34547 1 813 . 1 . 1 74 74 PHE HD2 H 1 7.501 0.020 . 1 . . . . A 173 PHE HD2 . 34547 1 814 . 1 . 1 74 74 PHE HE1 H 1 7.366 0.020 . 1 . . . . A 173 PHE HE1 . 34547 1 815 . 1 . 1 74 74 PHE HE2 H 1 7.366 0.020 . 1 . . . . A 173 PHE HE2 . 34547 1 816 . 1 . 1 74 74 PHE C C 13 172.413 0.400 . 1 . . . . A 173 PHE C . 34547 1 817 . 1 . 1 74 74 PHE CA C 13 55.243 0.400 . 1 . . . . A 173 PHE CA . 34547 1 818 . 1 . 1 74 74 PHE CB C 13 37.440 0.400 . 1 . . . . A 173 PHE CB . 34547 1 819 . 1 . 1 74 74 PHE N N 15 119.428 0.400 . 1 . . . . A 173 PHE N . 34547 1 820 . 1 . 1 75 75 ARG H H 1 7.450 0.020 . 1 . . . . A 174 ARG H . 34547 1 821 . 1 . 1 75 75 ARG HA H 1 4.774 0.020 . 1 . . . . A 174 ARG HA . 34547 1 822 . 1 . 1 75 75 ARG HB2 H 1 1.708 0.020 . 1 . . . . A 174 ARG HB2 . 34547 1 823 . 1 . 1 75 75 ARG HB3 H 1 1.912 0.020 . 1 . . . . A 174 ARG HB3 . 34547 1 824 . 1 . 1 75 75 ARG HG2 H 1 1.691 0.020 . 2 . . . . A 174 ARG HG2 . 34547 1 825 . 1 . 1 75 75 ARG HG3 H 1 1.691 0.020 . 2 . . . . A 174 ARG HG3 . 34547 1 826 . 1 . 1 75 75 ARG HD2 H 1 3.296 0.020 . 2 . . . . A 174 ARG HD2 . 34547 1 827 . 1 . 1 75 75 ARG HD3 H 1 3.296 0.020 . 2 . . . . A 174 ARG HD3 . 34547 1 828 . 1 . 1 75 75 ARG HE H 1 7.290 0.020 . 1 . . . . A 174 ARG HE . 34547 1 829 . 1 . 1 75 75 ARG C C 13 171.497 0.400 . 1 . . . . A 174 ARG C . 34547 1 830 . 1 . 1 75 75 ARG CA C 13 51.136 0.400 . 1 . . . . A 174 ARG CA . 34547 1 831 . 1 . 1 75 75 ARG CB C 13 31.229 0.400 . 1 . . . . A 174 ARG CB . 34547 1 832 . 1 . 1 75 75 ARG CG C 13 24.044 0.400 . 1 . . . . A 174 ARG CG . 34547 1 833 . 1 . 1 75 75 ARG CD C 13 40.191 0.400 . 1 . . . . A 174 ARG CD . 34547 1 834 . 1 . 1 75 75 ARG N N 15 119.247 0.400 . 1 . . . . A 174 ARG N . 34547 1 835 . 1 . 1 75 75 ARG NE N 15 85.065 0.400 . 1 . . . . A 174 ARG NE . 34547 1 836 . 1 . 1 76 76 ASP H H 1 8.290 0.020 . 1 . . . . A 175 ASP H . 34547 1 837 . 1 . 1 76 76 ASP HA H 1 4.846 0.020 . 1 . . . . A 175 ASP HA . 34547 1 838 . 1 . 1 76 76 ASP HB2 H 1 2.519 0.020 . 1 . . . . A 175 ASP HB2 . 34547 1 839 . 1 . 1 76 76 ASP HB3 H 1 2.279 0.020 . 1 . . . . A 175 ASP HB3 . 34547 1 840 . 1 . 1 76 76 ASP C C 13 174.784 0.400 . 1 . . . . A 175 ASP C . 34547 1 841 . 1 . 1 76 76 ASP CA C 13 52.514 0.400 . 1 . . . . A 175 ASP CA . 34547 1 842 . 1 . 1 76 76 ASP CB C 13 38.535 0.400 . 1 . . . . A 175 ASP CB . 34547 1 843 . 1 . 1 76 76 ASP N N 15 119.844 0.400 . 1 . . . . A 175 ASP N . 34547 1 844 . 1 . 1 77 77 LEU H H 1 9.298 0.020 . 1 . . . . A 176 LEU H . 34547 1 845 . 1 . 1 77 77 LEU HA H 1 3.344 0.020 . 1 . . . . A 176 LEU HA . 34547 1 846 . 1 . 1 77 77 LEU HB2 H 1 1.844 0.020 . 1 . . . . A 176 LEU HB2 . 34547 1 847 . 1 . 1 77 77 LEU HB3 H 1 1.426 0.020 . 1 . . . . A 176 LEU HB3 . 34547 1 848 . 1 . 1 77 77 LEU HG H 1 1.112 0.020 . 1 . . . . A 176 LEU HG . 34547 1 849 . 1 . 1 77 77 LEU HD11 H 1 0.744 0.020 . 1 . . . . A 176 LEU HD11 . 34547 1 850 . 1 . 1 77 77 LEU HD12 H 1 0.744 0.020 . 1 . . . . A 176 LEU HD12 . 34547 1 851 . 1 . 1 77 77 LEU HD13 H 1 0.744 0.020 . 1 . . . . A 176 LEU HD13 . 34547 1 852 . 1 . 1 77 77 LEU HD21 H 1 -0.117 0.020 . 1 . . . . A 176 LEU HD21 . 34547 1 853 . 1 . 1 77 77 LEU HD22 H 1 -0.117 0.020 . 1 . . . . A 176 LEU HD22 . 34547 1 854 . 1 . 1 77 77 LEU HD23 H 1 -0.117 0.020 . 1 . . . . A 176 LEU HD23 . 34547 1 855 . 1 . 1 77 77 LEU C C 13 173.737 0.400 . 1 . . . . A 176 LEU C . 34547 1 856 . 1 . 1 77 77 LEU CA C 13 52.139 0.400 . 1 . . . . A 176 LEU CA . 34547 1 857 . 1 . 1 77 77 LEU CB C 13 33.886 0.400 . 1 . . . . A 176 LEU CB . 34547 1 858 . 1 . 1 77 77 LEU CG C 13 23.391 0.400 . 1 . . . . A 176 LEU CG . 34547 1 859 . 1 . 1 77 77 LEU CD1 C 13 22.066 0.400 . 2 . . . . A 176 LEU CD1 . 34547 1 860 . 1 . 1 77 77 LEU CD2 C 13 18.760 0.400 . 2 . . . . A 176 LEU CD2 . 34547 1 861 . 1 . 1 77 77 LEU N N 15 114.448 0.400 . 1 . . . . A 176 LEU N . 34547 1 862 . 1 . 1 78 78 CYS H H 1 7.834 0.020 . 1 . . . . A 177 CYS H . 34547 1 863 . 1 . 1 78 78 CYS HA H 1 4.547 0.020 . 1 . . . . A 177 CYS HA . 34547 1 864 . 1 . 1 78 78 CYS HB2 H 1 3.507 0.020 . 1 . . . . A 177 CYS HB2 . 34547 1 865 . 1 . 1 78 78 CYS HB3 H 1 3.269 0.020 . 1 . . . . A 177 CYS HB3 . 34547 1 866 . 1 . 1 78 78 CYS C C 13 172.298 0.400 . 1 . . . . A 177 CYS C . 34547 1 867 . 1 . 1 78 78 CYS CA C 13 53.532 0.400 . 1 . . . . A 177 CYS CA . 34547 1 868 . 1 . 1 78 78 CYS CB C 13 41.582 0.400 . 1 . . . . A 177 CYS CB . 34547 1 869 . 1 . 1 78 78 CYS N N 15 112.101 0.400 . 1 . . . . A 177 CYS N . 34547 1 870 . 1 . 1 79 79 ASN H H 1 9.014 0.020 . 1 . . . . A 178 ASN H . 34547 1 871 . 1 . 1 79 79 ASN HA H 1 4.778 0.020 . 1 . . . . A 178 ASN HA . 34547 1 872 . 1 . 1 79 79 ASN HB2 H 1 2.884 0.020 . 1 . . . . A 178 ASN HB2 . 34547 1 873 . 1 . 1 79 79 ASN HB3 H 1 2.529 0.020 . 1 . . . . A 178 ASN HB3 . 34547 1 874 . 1 . 1 79 79 ASN CA C 13 49.564 0.400 . 1 . . . . A 178 ASN CA . 34547 1 875 . 1 . 1 79 79 ASN CB C 13 33.138 0.400 . 1 . . . . A 178 ASN CB . 34547 1 876 . 1 . 1 79 79 ASN N N 15 122.157 0.400 . 1 . . . . A 178 ASN N . 34547 1 877 . 1 . 1 80 80 SER H H 1 7.482 0.020 . 1 . . . . A 179 SER H . 34547 1 878 . 1 . 1 80 80 SER HA H 1 3.945 0.020 . 1 . . . . A 179 SER HA . 34547 1 879 . 1 . 1 80 80 SER HB2 H 1 3.753 0.020 . 2 . . . . A 179 SER HB2 . 34547 1 880 . 1 . 1 80 80 SER HB3 H 1 3.753 0.020 . 2 . . . . A 179 SER HB3 . 34547 1 881 . 1 . 1 80 80 SER C C 13 171.980 0.400 . 1 . . . . A 179 SER C . 34547 1 882 . 1 . 1 80 80 SER CA C 13 55.092 0.400 . 1 . . . . A 179 SER CA . 34547 1 883 . 1 . 1 80 80 SER CB C 13 59.118 0.400 . 1 . . . . A 179 SER CB . 34547 1 884 . 1 . 1 80 80 SER N N 15 109.444 0.400 . 1 . . . . A 179 SER N . 34547 1 885 . 1 . 1 81 81 GLU H H 1 7.936 0.020 . 1 . . . . A 180 GLU H . 34547 1 886 . 1 . 1 81 81 GLU HA H 1 4.359 0.020 . 1 . . . . A 180 GLU HA . 34547 1 887 . 1 . 1 81 81 GLU HB2 H 1 1.783 0.020 . 1 . . . . A 180 GLU HB2 . 34547 1 888 . 1 . 1 81 81 GLU HB3 H 1 2.008 0.020 . 1 . . . . A 180 GLU HB3 . 34547 1 889 . 1 . 1 81 81 GLU HG2 H 1 2.156 0.020 . 2 . . . . A 180 GLU HG2 . 34547 1 890 . 1 . 1 81 81 GLU HG3 H 1 2.205 0.020 . 2 . . . . A 180 GLU HG3 . 34547 1 891 . 1 . 1 81 81 GLU CA C 13 52.226 0.400 . 1 . . . . A 180 GLU CA . 34547 1 892 . 1 . 1 81 81 GLU CB C 13 28.439 0.400 . 1 . . . . A 180 GLU CB . 34547 1 893 . 1 . 1 81 81 GLU CG C 13 32.399 0.400 . 1 . . . . A 180 GLU CG . 34547 1 894 . 1 . 1 81 81 GLU N N 15 120.035 0.400 . 1 . . . . A 180 GLU N . 34547 1 895 . 1 . 1 82 82 LEU H H 1 7.911 0.020 . 1 . . . . A 181 LEU H . 34547 1 896 . 1 . 1 82 82 LEU HA H 1 3.989 0.020 . 1 . . . . A 181 LEU HA . 34547 1 897 . 1 . 1 82 82 LEU HB2 H 1 1.336 0.020 . 2 . . . . A 181 LEU HB2 . 34547 1 898 . 1 . 1 82 82 LEU HB3 H 1 1.336 0.020 . 2 . . . . A 181 LEU HB3 . 34547 1 899 . 1 . 1 82 82 LEU HG H 1 1.375 0.020 . 1 . . . . A 181 LEU HG . 34547 1 900 . 1 . 1 82 82 LEU HD11 H 1 0.619 0.020 . 2 . . . . A 181 LEU HD11 . 34547 1 901 . 1 . 1 82 82 LEU HD12 H 1 0.619 0.020 . 2 . . . . A 181 LEU HD12 . 34547 1 902 . 1 . 1 82 82 LEU HD13 H 1 0.619 0.020 . 2 . . . . A 181 LEU HD13 . 34547 1 903 . 1 . 1 82 82 LEU HD21 H 1 0.693 0.020 . 2 . . . . A 181 LEU HD21 . 34547 1 904 . 1 . 1 82 82 LEU HD22 H 1 0.693 0.020 . 2 . . . . A 181 LEU HD22 . 34547 1 905 . 1 . 1 82 82 LEU HD23 H 1 0.693 0.020 . 2 . . . . A 181 LEU HD23 . 34547 1 906 . 1 . 1 82 82 LEU CA C 13 53.452 0.400 . 1 . . . . A 181 LEU CA . 34547 1 907 . 1 . 1 82 82 LEU CB C 13 40.101 0.400 . 1 . . . . A 181 LEU CB . 34547 1 908 . 1 . 1 82 82 LEU CG C 13 24.288 0.400 . 1 . . . . A 181 LEU CG . 34547 1 909 . 1 . 1 82 82 LEU CD1 C 13 21.090 0.400 . 2 . . . . A 181 LEU CD1 . 34547 1 910 . 1 . 1 82 82 LEU CD2 C 13 22.256 0.400 . 2 . . . . A 181 LEU CD2 . 34547 1 911 . 1 . 1 82 82 LEU N N 15 127.265 0.400 . 1 . . . . A 181 LEU N . 34547 1 stop_ save_