data_34532 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34532 _Entry.Title ; NMR structure of water-soluble domain of human Lynx2 (Lypd1) protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-07-16 _Entry.Accession_date 2020-07-16 _Entry.Last_release_date 2020-08-13 _Entry.Original_release_date 2020-08-13 _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 M. Kocharovskaya M. V. . . 34532 2 A. Paramonov A. S. . . 34532 3 E. Lyukmanova E. N. . . 34532 4 Z. Shenkarev Z. O. . . 34532 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Ly-6 . 34532 Ly6/uPAR . 34532 Lynx . 34532 Lynx2 . 34532 Lypd1 . 34532 NEUROPEPTIDE . 34532 'nicotinic acetylcholine receptor' . 34532 'snake neurotoxin' . 34532 'three-finger protein' . 34532 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34532 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 313 34532 '15N chemical shifts' 86 34532 '1H chemical shifts' 512 34532 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 2020-07-16 update BMRB 'update entry citation' 34532 1 . . 2021-01-06 2020-07-16 original author 'original release' 34532 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6ZSS 'BMRB Entry Tracking System' 34532 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34532 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33019770 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural Diversity and Dynamics of Human Three-Finger Proteins Acting on Nicotinic Acetylcholine Receptors ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Int. J. Mol. Sci.' _Citation.Journal_name_full 'International journal of molecular sciences' _Citation.Journal_volume 21 _Citation.Journal_issue 19 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1422-0067 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 7280 _Citation.Page_last 7280 _Citation.Year 2020 _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 Alexander Paramonov A. S. . . 34532 1 2 Milita Kocharovskaya M. V. . . 34532 1 3 Andrey Tsarev A. V. . . 34532 1 4 Dmitrii Kulbatskii D. S. . . 34532 1 5 Eugene Loktyushov E. V. . . 34532 1 6 Mikhail Shulepko M. A. . . 34532 1 7 Mikhail Kirpichnikov M. P. . . 34532 1 8 Ekaterina Lyukmanova E. N. . . 34532 1 9 Zakhar Shenkarev Z. O. . . 34532 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34532 _Assembly.ID 1 _Assembly.Name 'Ly6/PLAUR domain-containing 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 . . . . . . 34532 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 33 33 SG . . . . . . . . . . . . 34532 1 2 disulfide single . 1 . 1 CYS 7 7 SG . 1 . 1 CYS 16 16 SG . . . . . . . . . . . . 34532 1 3 disulfide single . 1 . 1 CYS 25 25 SG . 1 . 1 CYS 50 50 SG . . . . . . . . . . . . 34532 1 4 disulfide single . 1 . 1 CYS 56 56 SG . 1 . 1 CYS 79 79 SG . . . . . . . . . . . . 34532 1 5 disulfide single . 1 . 1 CYS 67 67 SG . 1 . 1 CYS 76 76 SG . . . . . . . . . . . . 34532 1 6 disulfide single . 1 . 1 CYS 80 80 SG . 1 . 1 CYS 85 85 SG . . . . . . . . . . . . 34532 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34532 _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 ; MIQCYQCEEFQLNNDCSSPE FIVNCTVNVQDMCQKEVMEQ SAGIMYRKSCASSAACLIAS AGYQSFCSPGKLNSVCISCC NTPLCN ; _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 86 _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 9390.756 _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 PHTS common 34532 1 'Putative HeLa tumor suppressor' common 34532 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 . 34532 1 2 101 ILE . 34532 1 3 102 GLN . 34532 1 4 103 CYS . 34532 1 5 104 TYR . 34532 1 6 105 GLN . 34532 1 7 106 CYS . 34532 1 8 107 GLU . 34532 1 9 108 GLU . 34532 1 10 109 PHE . 34532 1 11 110 GLN . 34532 1 12 111 LEU . 34532 1 13 112 ASN . 34532 1 14 113 ASN . 34532 1 15 114 ASP . 34532 1 16 115 CYS . 34532 1 17 116 SER . 34532 1 18 117 SER . 34532 1 19 118 PRO . 34532 1 20 119 GLU . 34532 1 21 120 PHE . 34532 1 22 121 ILE . 34532 1 23 122 VAL . 34532 1 24 123 ASN . 34532 1 25 124 CYS . 34532 1 26 125 THR . 34532 1 27 126 VAL . 34532 1 28 127 ASN . 34532 1 29 128 VAL . 34532 1 30 129 GLN . 34532 1 31 130 ASP . 34532 1 32 131 MET . 34532 1 33 132 CYS . 34532 1 34 133 GLN . 34532 1 35 134 LYS . 34532 1 36 135 GLU . 34532 1 37 136 VAL . 34532 1 38 137 MET . 34532 1 39 138 GLU . 34532 1 40 139 GLN . 34532 1 41 140 SER . 34532 1 42 141 ALA . 34532 1 43 142 GLY . 34532 1 44 143 ILE . 34532 1 45 144 MET . 34532 1 46 145 TYR . 34532 1 47 146 ARG . 34532 1 48 147 LYS . 34532 1 49 148 SER . 34532 1 50 149 CYS . 34532 1 51 150 ALA . 34532 1 52 151 SER . 34532 1 53 152 SER . 34532 1 54 153 ALA . 34532 1 55 154 ALA . 34532 1 56 155 CYS . 34532 1 57 156 LEU . 34532 1 58 157 ILE . 34532 1 59 158 ALA . 34532 1 60 159 SER . 34532 1 61 160 ALA . 34532 1 62 161 GLY . 34532 1 63 162 TYR . 34532 1 64 163 GLN . 34532 1 65 164 SER . 34532 1 66 165 PHE . 34532 1 67 166 CYS . 34532 1 68 167 SER . 34532 1 69 168 PRO . 34532 1 70 169 GLY . 34532 1 71 170 LYS . 34532 1 72 171 LEU . 34532 1 73 172 ASN . 34532 1 74 173 SER . 34532 1 75 174 VAL . 34532 1 76 175 CYS . 34532 1 77 176 ILE . 34532 1 78 177 SER . 34532 1 79 178 CYS . 34532 1 80 179 CYS . 34532 1 81 180 ASN . 34532 1 82 181 THR . 34532 1 83 182 PRO . 34532 1 84 183 LEU . 34532 1 85 184 CYS . 34532 1 86 185 ASN . 34532 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 34532 1 . ILE 2 2 34532 1 . GLN 3 3 34532 1 . CYS 4 4 34532 1 . TYR 5 5 34532 1 . GLN 6 6 34532 1 . CYS 7 7 34532 1 . GLU 8 8 34532 1 . GLU 9 9 34532 1 . PHE 10 10 34532 1 . GLN 11 11 34532 1 . LEU 12 12 34532 1 . ASN 13 13 34532 1 . ASN 14 14 34532 1 . ASP 15 15 34532 1 . CYS 16 16 34532 1 . SER 17 17 34532 1 . SER 18 18 34532 1 . PRO 19 19 34532 1 . GLU 20 20 34532 1 . PHE 21 21 34532 1 . ILE 22 22 34532 1 . VAL 23 23 34532 1 . ASN 24 24 34532 1 . CYS 25 25 34532 1 . THR 26 26 34532 1 . VAL 27 27 34532 1 . ASN 28 28 34532 1 . VAL 29 29 34532 1 . GLN 30 30 34532 1 . ASP 31 31 34532 1 . MET 32 32 34532 1 . CYS 33 33 34532 1 . GLN 34 34 34532 1 . LYS 35 35 34532 1 . GLU 36 36 34532 1 . VAL 37 37 34532 1 . MET 38 38 34532 1 . GLU 39 39 34532 1 . GLN 40 40 34532 1 . SER 41 41 34532 1 . ALA 42 42 34532 1 . GLY 43 43 34532 1 . ILE 44 44 34532 1 . MET 45 45 34532 1 . TYR 46 46 34532 1 . ARG 47 47 34532 1 . LYS 48 48 34532 1 . SER 49 49 34532 1 . CYS 50 50 34532 1 . ALA 51 51 34532 1 . SER 52 52 34532 1 . SER 53 53 34532 1 . ALA 54 54 34532 1 . ALA 55 55 34532 1 . CYS 56 56 34532 1 . LEU 57 57 34532 1 . ILE 58 58 34532 1 . ALA 59 59 34532 1 . SER 60 60 34532 1 . ALA 61 61 34532 1 . GLY 62 62 34532 1 . TYR 63 63 34532 1 . GLN 64 64 34532 1 . SER 65 65 34532 1 . PHE 66 66 34532 1 . CYS 67 67 34532 1 . SER 68 68 34532 1 . PRO 69 69 34532 1 . GLY 70 70 34532 1 . LYS 71 71 34532 1 . LEU 72 72 34532 1 . ASN 73 73 34532 1 . SER 74 74 34532 1 . VAL 75 75 34532 1 . CYS 76 76 34532 1 . ILE 77 77 34532 1 . SER 78 78 34532 1 . CYS 79 79 34532 1 . CYS 80 80 34532 1 . ASN 81 81 34532 1 . THR 82 82 34532 1 . PRO 83 83 34532 1 . LEU 84 84 34532 1 . CYS 85 85 34532 1 . ASN 86 86 34532 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 34532 _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 . . . . . . . . . . . 'LYPD1, LYPDC1, PSEC0181, UNQ3079/PRO9917' . 34532 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 34532 _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' . . 562 Escherichia coli . . . plasmid . . pET-22b(+) . . . 34532 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34532 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.25 mM [U-98% 13C; U-98% 15N] Lynx2, 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 Lynx2 '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 0.25 . . mM 0.03 . . . 34532 1 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 34532 _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 34532 1 pH 6.7 . pH 34532 1 pressure 1 . atm 34532 1 temperature 318 . K 34532 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34532 _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' . . 34532 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34532 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34532 _Software.ID 2 _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' . . 34532 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34532 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34532 _Software.ID 3 _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' . . 34532 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34532 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34532 _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' . . 34532 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34532 4 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 34532 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details CryoProbe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34532 _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 . . . 34532 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 34532 _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 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34532 1 2 '3D HNCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34532 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34532 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34532 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34532 1 6 '3D 1H-15N-TOCSY-HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34532 1 7 '3D 1H-15N-NOESY-HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34532 1 8 '3D 1H-13C-HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34532 1 9 '3D HNHA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34532 1 10 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34532 1 11 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34532 1 12 '3D HNHB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34532 1 13 '2D 1H-13C TROSY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34532 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 34532 _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 0.251449530 . . . . . 34532 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 34532 1 N 15 'ammonium chloride' nitrogen . . . . ppm 0 external indirect 0.101329118 . . . . . 34532 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 34532 _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 '3D HNCO' . . . 34532 1 2 '3D HNCACO' . . . 34532 1 3 '3D HNCACB' . . . 34532 1 4 '2D 1H-13C HSQC' . . . 34532 1 5 '2D 1H-15N HSQC' . . . 34532 1 6 '3D 1H-15N-TOCSY-HSQC' . . . 34532 1 7 '3D 1H-15N-NOESY-HSQC' . . . 34532 1 8 '3D 1H-13C-HCCH-TOCSY' . . . 34532 1 9 '3D HNHA' . . . 34532 1 10 '3D HNCA' . . . 34532 1 11 '3D HN(CO)CA' . . . 34532 1 12 '3D HNHB' . . . 34532 1 13 '2D 1H-13C TROSY aromatic' . . . 34532 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 2 2 ILE HA H 1 4.487 0.020 . 1 . . . . A 101 ILE HA . 34532 1 2 . 1 . 1 2 2 ILE HB H 1 1.743 0.020 . 1 . . . . A 101 ILE HB . 34532 1 3 . 1 . 1 2 2 ILE HG12 H 1 1.278 0.020 . 2 . . . . A 101 ILE HG12 . 34532 1 4 . 1 . 1 2 2 ILE HG13 H 1 1.278 0.020 . 2 . . . . A 101 ILE HG13 . 34532 1 5 . 1 . 1 2 2 ILE HG21 H 1 0.784 0.020 . 1 . . . . A 101 ILE HG21 . 34532 1 6 . 1 . 1 2 2 ILE HG22 H 1 0.784 0.020 . 1 . . . . A 101 ILE HG22 . 34532 1 7 . 1 . 1 2 2 ILE HG23 H 1 0.784 0.020 . 1 . . . . A 101 ILE HG23 . 34532 1 8 . 1 . 1 2 2 ILE HD11 H 1 0.683 0.020 . 1 . . . . A 101 ILE HD11 . 34532 1 9 . 1 . 1 2 2 ILE HD12 H 1 0.683 0.020 . 1 . . . . A 101 ILE HD12 . 34532 1 10 . 1 . 1 2 2 ILE HD13 H 1 0.683 0.020 . 1 . . . . A 101 ILE HD13 . 34532 1 11 . 1 . 1 2 2 ILE C C 13 169.516 0.400 . 1 . . . . A 101 ILE C . 34532 1 12 . 1 . 1 2 2 ILE CA C 13 58.864 0.400 . 1 . . . . A 101 ILE CA . 34532 1 13 . 1 . 1 2 2 ILE CB C 13 39.330 0.400 . 1 . . . . A 101 ILE CB . 34532 1 14 . 1 . 1 2 2 ILE CG1 C 13 26.848 0.400 . 1 . . . . A 101 ILE CG1 . 34532 1 15 . 1 . 1 2 2 ILE CG2 C 13 12.722 0.400 . 1 . . . . A 101 ILE CG2 . 34532 1 16 . 1 . 1 2 2 ILE CD1 C 13 11.405 0.400 . 1 . . . . A 101 ILE CD1 . 34532 1 17 . 1 . 1 3 3 GLN H H 1 6.411 0.020 . 1 . . . . A 102 GLN H . 34532 1 18 . 1 . 1 3 3 GLN HA H 1 5.423 0.020 . 1 . . . . A 102 GLN HA . 34532 1 19 . 1 . 1 3 3 GLN HB2 H 1 1.848 0.020 . 2 . . . . A 102 GLN HB2 . 34532 1 20 . 1 . 1 3 3 GLN HB3 H 1 1.848 0.020 . 2 . . . . A 102 GLN HB3 . 34532 1 21 . 1 . 1 3 3 GLN HG2 H 1 2.369 0.020 . 2 . . . . A 102 GLN HG2 . 34532 1 22 . 1 . 1 3 3 GLN HG3 H 1 2.369 0.020 . 2 . . . . A 102 GLN HG3 . 34532 1 23 . 1 . 1 3 3 GLN C C 13 172.567 0.400 . 1 . . . . A 102 GLN C . 34532 1 24 . 1 . 1 3 3 GLN CA C 13 51.938 0.400 . 1 . . . . A 102 GLN CA . 34532 1 25 . 1 . 1 3 3 GLN CB C 13 29.328 0.400 . 1 . . . . A 102 GLN CB . 34532 1 26 . 1 . 1 3 3 GLN N N 15 121.605 0.400 . 1 . . . . A 102 GLN N . 34532 1 27 . 1 . 1 4 4 CYS H H 1 8.383 0.020 . 1 . . . . A 103 CYS H . 34532 1 28 . 1 . 1 4 4 CYS HA H 1 4.964 0.020 . 1 . . . . A 103 CYS HA . 34532 1 29 . 1 . 1 4 4 CYS HB2 H 1 2.392 0.020 . 1 . . . . A 103 CYS HB2 . 34532 1 30 . 1 . 1 4 4 CYS HB3 H 1 3.173 0.020 . 1 . . . . A 103 CYS HB3 . 34532 1 31 . 1 . 1 4 4 CYS C C 13 171.085 0.400 . 1 . . . . A 103 CYS C . 34532 1 32 . 1 . 1 4 4 CYS CA C 13 49.521 0.400 . 1 . . . . A 103 CYS CA . 34532 1 33 . 1 . 1 4 4 CYS CB C 13 39.890 0.400 . 1 . . . . A 103 CYS CB . 34532 1 34 . 1 . 1 4 4 CYS N N 15 118.428 0.400 . 1 . . . . A 103 CYS N . 34532 1 35 . 1 . 1 5 5 TYR H H 1 8.707 0.020 . 1 . . . . A 104 TYR H . 34532 1 36 . 1 . 1 5 5 TYR HA H 1 4.676 0.020 . 1 . . . . A 104 TYR HA . 34532 1 37 . 1 . 1 5 5 TYR HB2 H 1 2.514 0.020 . 1 . . . . A 104 TYR HB2 . 34532 1 38 . 1 . 1 5 5 TYR HB3 H 1 3.168 0.020 . 1 . . . . A 104 TYR HB3 . 34532 1 39 . 1 . 1 5 5 TYR HD1 H 1 7.024 0.020 . 1 . . . . A 104 TYR HD1 . 34532 1 40 . 1 . 1 5 5 TYR HD2 H 1 7.024 0.020 . 1 . . . . A 104 TYR HD2 . 34532 1 41 . 1 . 1 5 5 TYR HE1 H 1 6.656 0.020 . 1 . . . . A 104 TYR HE1 . 34532 1 42 . 1 . 1 5 5 TYR HE2 H 1 6.656 0.020 . 1 . . . . A 104 TYR HE2 . 34532 1 43 . 1 . 1 5 5 TYR C C 13 173.988 0.400 . 1 . . . . A 104 TYR C . 34532 1 44 . 1 . 1 5 5 TYR CA C 13 57.443 0.400 . 1 . . . . A 104 TYR CA . 34532 1 45 . 1 . 1 5 5 TYR CB C 13 36.150 0.400 . 1 . . . . A 104 TYR CB . 34532 1 46 . 1 . 1 5 5 TYR CD1 C 13 130.456 0.400 . 3 . . . . A 104 TYR CD1 . 34532 1 47 . 1 . 1 5 5 TYR CE1 C 13 115.824 0.400 . 3 . . . . A 104 TYR CE1 . 34532 1 48 . 1 . 1 5 5 TYR N N 15 121.074 0.400 . 1 . . . . A 104 TYR N . 34532 1 49 . 1 . 1 6 6 GLN H H 1 9.379 0.020 . 1 . . . . A 105 GLN H . 34532 1 50 . 1 . 1 6 6 GLN HA H 1 4.666 0.020 . 1 . . . . A 105 GLN HA . 34532 1 51 . 1 . 1 6 6 GLN HB2 H 1 2.173 0.020 . 1 . . . . A 105 GLN HB2 . 34532 1 52 . 1 . 1 6 6 GLN HB3 H 1 1.913 0.020 . 1 . . . . A 105 GLN HB3 . 34532 1 53 . 1 . 1 6 6 GLN HG2 H 1 2.369 0.020 . 2 . . . . A 105 GLN HG2 . 34532 1 54 . 1 . 1 6 6 GLN HG3 H 1 2.462 0.020 . 2 . . . . A 105 GLN HG3 . 34532 1 55 . 1 . 1 6 6 GLN HE21 H 1 7.850 0.020 . 2 . . . . A 105 GLN HE21 . 34532 1 56 . 1 . 1 6 6 GLN HE22 H 1 6.806 0.020 . 2 . . . . A 105 GLN HE22 . 34532 1 57 . 1 . 1 6 6 GLN C C 13 171.245 0.400 . 1 . . . . A 105 GLN C . 34532 1 58 . 1 . 1 6 6 GLN CA C 13 52.589 0.400 . 1 . . . . A 105 GLN CA . 34532 1 59 . 1 . 1 6 6 GLN CB C 13 30.317 0.400 . 1 . . . . A 105 GLN CB . 34532 1 60 . 1 . 1 6 6 GLN CG C 13 32.062 0.400 . 1 . . . . A 105 GLN CG . 34532 1 61 . 1 . 1 6 6 GLN N N 15 121.541 0.400 . 1 . . . . A 105 GLN N . 34532 1 62 . 1 . 1 6 6 GLN NE2 N 15 112.588 0.400 . 1 . . . . A 105 GLN NE2 . 34532 1 63 . 1 . 1 7 7 CYS H H 1 8.689 0.020 . 1 . . . . A 106 CYS H . 34532 1 64 . 1 . 1 7 7 CYS HA H 1 4.967 0.020 . 1 . . . . A 106 CYS HA . 34532 1 65 . 1 . 1 7 7 CYS HB2 H 1 3.157 0.020 . 1 . . . . A 106 CYS HB2 . 34532 1 66 . 1 . 1 7 7 CYS HB3 H 1 3.363 0.020 . 1 . . . . A 106 CYS HB3 . 34532 1 67 . 1 . 1 7 7 CYS C C 13 171.035 0.400 . 1 . . . . A 106 CYS C . 34532 1 68 . 1 . 1 7 7 CYS CA C 13 53.834 0.400 . 1 . . . . A 106 CYS CA . 34532 1 69 . 1 . 1 7 7 CYS CB C 13 42.819 0.400 . 1 . . . . A 106 CYS CB . 34532 1 70 . 1 . 1 7 7 CYS N N 15 123.597 0.400 . 1 . . . . A 106 CYS N . 34532 1 71 . 1 . 1 8 8 GLU H H 1 9.096 0.020 . 1 . . . . A 107 GLU H . 34532 1 72 . 1 . 1 8 8 GLU HA H 1 4.050 0.020 . 1 . . . . A 107 GLU HA . 34532 1 73 . 1 . 1 8 8 GLU HB2 H 1 2.085 0.020 . 2 . . . . A 107 GLU HB2 . 34532 1 74 . 1 . 1 8 8 GLU HB3 H 1 2.197 0.020 . 2 . . . . A 107 GLU HB3 . 34532 1 75 . 1 . 1 8 8 GLU HG2 H 1 2.288 0.020 . 2 . . . . A 107 GLU HG2 . 34532 1 76 . 1 . 1 8 8 GLU HG3 H 1 2.390 0.020 . 2 . . . . A 107 GLU HG3 . 34532 1 77 . 1 . 1 8 8 GLU C C 13 173.308 0.400 . 1 . . . . A 107 GLU C . 34532 1 78 . 1 . 1 8 8 GLU CA C 13 56.621 0.400 . 1 . . . . A 107 GLU CA . 34532 1 79 . 1 . 1 8 8 GLU CB C 13 27.909 0.400 . 1 . . . . A 107 GLU CB . 34532 1 80 . 1 . 1 8 8 GLU CG C 13 34.716 0.400 . 1 . . . . A 107 GLU CG . 34532 1 81 . 1 . 1 8 8 GLU N N 15 121.798 0.400 . 1 . . . . A 107 GLU N . 34532 1 82 . 1 . 1 9 9 GLU H H 1 7.970 0.020 . 1 . . . . A 108 GLU H . 34532 1 83 . 1 . 1 9 9 GLU HA H 1 4.618 0.020 . 1 . . . . A 108 GLU HA . 34532 1 84 . 1 . 1 9 9 GLU HB2 H 1 1.917 0.020 . 1 . . . . A 108 GLU HB2 . 34532 1 85 . 1 . 1 9 9 GLU HB3 H 1 2.102 0.020 . 1 . . . . A 108 GLU HB3 . 34532 1 86 . 1 . 1 9 9 GLU HG2 H 1 2.316 0.020 . 2 . . . . A 108 GLU HG2 . 34532 1 87 . 1 . 1 9 9 GLU HG3 H 1 2.383 0.020 . 2 . . . . A 108 GLU HG3 . 34532 1 88 . 1 . 1 9 9 GLU C C 13 173.135 0.400 . 1 . . . . A 108 GLU C . 34532 1 89 . 1 . 1 9 9 GLU CA C 13 51.642 0.400 . 1 . . . . A 108 GLU CA . 34532 1 90 . 1 . 1 9 9 GLU CB C 13 28.837 0.400 . 1 . . . . A 108 GLU CB . 34532 1 91 . 1 . 1 9 9 GLU CG C 13 33.669 0.400 . 1 . . . . A 108 GLU CG . 34532 1 92 . 1 . 1 9 9 GLU N N 15 118.206 0.400 . 1 . . . . A 108 GLU N . 34532 1 93 . 1 . 1 10 10 PHE H H 1 8.479 0.020 . 1 . . . . A 109 PHE H . 34532 1 94 . 1 . 1 10 10 PHE HA H 1 4.619 0.020 . 1 . . . . A 109 PHE HA . 34532 1 95 . 1 . 1 10 10 PHE HB2 H 1 3.022 0.020 . 2 . . . . A 109 PHE HB2 . 34532 1 96 . 1 . 1 10 10 PHE HB3 H 1 2.929 0.020 . 2 . . . . A 109 PHE HB3 . 34532 1 97 . 1 . 1 10 10 PHE HD1 H 1 7.219 0.020 . 1 . . . . A 109 PHE HD1 . 34532 1 98 . 1 . 1 10 10 PHE HD2 H 1 7.219 0.020 . 1 . . . . A 109 PHE HD2 . 34532 1 99 . 1 . 1 10 10 PHE C C 13 174.506 0.400 . 1 . . . . A 109 PHE C . 34532 1 100 . 1 . 1 10 10 PHE CA C 13 57.475 0.400 . 1 . . . . A 109 PHE CA . 34532 1 101 . 1 . 1 10 10 PHE CB C 13 37.497 0.400 . 1 . . . . A 109 PHE CB . 34532 1 102 . 1 . 1 10 10 PHE CD1 C 13 129.359 0.400 . 3 . . . . A 109 PHE CD1 . 34532 1 103 . 1 . 1 10 10 PHE CE1 C 13 128.380 0.400 . 3 . . . . A 109 PHE CE1 . 34532 1 104 . 1 . 1 10 10 PHE N N 15 120.055 0.400 . 1 . . . . A 109 PHE N . 34532 1 105 . 1 . 1 11 11 GLN H H 1 9.288 0.020 . 1 . . . . A 110 GLN H . 34532 1 106 . 1 . 1 11 11 GLN HA H 1 4.723 0.020 . 1 . . . . A 110 GLN HA . 34532 1 107 . 1 . 1 11 11 GLN HB2 H 1 2.470 0.020 . 1 . . . . A 110 GLN HB2 . 34532 1 108 . 1 . 1 11 11 GLN HB3 H 1 2.322 0.020 . 1 . . . . A 110 GLN HB3 . 34532 1 109 . 1 . 1 11 11 GLN HG2 H 1 2.587 0.020 . 2 . . . . A 110 GLN HG2 . 34532 1 110 . 1 . 1 11 11 GLN HG3 H 1 2.827 0.020 . 2 . . . . A 110 GLN HG3 . 34532 1 111 . 1 . 1 11 11 GLN HE21 H 1 7.489 0.020 . 2 . . . . A 110 GLN HE21 . 34532 1 112 . 1 . 1 11 11 GLN HE22 H 1 6.813 0.020 . 2 . . . . A 110 GLN HE22 . 34532 1 113 . 1 . 1 11 11 GLN C C 13 173.222 0.400 . 1 . . . . A 110 GLN C . 34532 1 114 . 1 . 1 11 11 GLN CA C 13 51.387 0.400 . 1 . . . . A 110 GLN CA . 34532 1 115 . 1 . 1 11 11 GLN CB C 13 29.422 0.400 . 1 . . . . A 110 GLN CB . 34532 1 116 . 1 . 1 11 11 GLN CG C 13 30.947 0.400 . 1 . . . . A 110 GLN CG . 34532 1 117 . 1 . 1 11 11 GLN N N 15 120.919 0.400 . 1 . . . . A 110 GLN N . 34532 1 118 . 1 . 1 11 11 GLN NE2 N 15 114.034 0.400 . 1 . . . . A 110 GLN NE2 . 34532 1 119 . 1 . 1 12 12 LEU H H 1 8.699 0.020 . 1 . . . . A 111 LEU H . 34532 1 120 . 1 . 1 12 12 LEU HA H 1 4.667 0.020 . 1 . . . . A 111 LEU HA . 34532 1 121 . 1 . 1 12 12 LEU HB2 H 1 1.860 0.020 . 2 . . . . A 111 LEU HB2 . 34532 1 122 . 1 . 1 12 12 LEU HB3 H 1 1.552 0.020 . 2 . . . . A 111 LEU HB3 . 34532 1 123 . 1 . 1 12 12 LEU HG H 1 1.612 0.020 . 1 . . . . A 111 LEU HG . 34532 1 124 . 1 . 1 12 12 LEU HD11 H 1 0.919 0.020 . 2 . . . . A 111 LEU HD11 . 34532 1 125 . 1 . 1 12 12 LEU HD12 H 1 0.919 0.020 . 2 . . . . A 111 LEU HD12 . 34532 1 126 . 1 . 1 12 12 LEU HD13 H 1 0.919 0.020 . 2 . . . . A 111 LEU HD13 . 34532 1 127 . 1 . 1 12 12 LEU HD21 H 1 0.821 0.020 . 2 . . . . A 111 LEU HD21 . 34532 1 128 . 1 . 1 12 12 LEU HD22 H 1 0.821 0.020 . 2 . . . . A 111 LEU HD22 . 34532 1 129 . 1 . 1 12 12 LEU HD23 H 1 0.821 0.020 . 2 . . . . A 111 LEU HD23 . 34532 1 130 . 1 . 1 12 12 LEU C C 13 174.489 0.400 . 1 . . . . A 111 LEU C . 34532 1 131 . 1 . 1 12 12 LEU CA C 13 52.774 0.400 . 1 . . . . A 111 LEU CA . 34532 1 132 . 1 . 1 12 12 LEU CB C 13 40.480 0.400 . 1 . . . . A 111 LEU CB . 34532 1 133 . 1 . 1 12 12 LEU CG C 13 24.771 0.400 . 1 . . . . A 111 LEU CG . 34532 1 134 . 1 . 1 12 12 LEU CD1 C 13 22.745 0.400 . 2 . . . . A 111 LEU CD1 . 34532 1 135 . 1 . 1 12 12 LEU CD2 C 13 21.004 0.400 . 2 . . . . A 111 LEU CD2 . 34532 1 136 . 1 . 1 12 12 LEU N N 15 124.318 0.400 . 1 . . . . A 111 LEU N . 34532 1 137 . 1 . 1 13 13 ASN H H 1 9.591 0.020 . 1 . . . . A 112 ASN H . 34532 1 138 . 1 . 1 13 13 ASN HA H 1 4.600 0.020 . 1 . . . . A 112 ASN HA . 34532 1 139 . 1 . 1 13 13 ASN HD21 H 1 7.784 0.020 . 2 . . . . A 112 ASN HD21 . 34532 1 140 . 1 . 1 13 13 ASN HD22 H 1 7.074 0.020 . 2 . . . . A 112 ASN HD22 . 34532 1 141 . 1 . 1 13 13 ASN C C 13 171.097 0.400 . 1 . . . . A 112 ASN C . 34532 1 142 . 1 . 1 13 13 ASN CA C 13 52.289 0.400 . 1 . . . . A 112 ASN CA . 34532 1 143 . 1 . 1 13 13 ASN CB C 13 34.947 0.400 . 1 . . . . A 112 ASN CB . 34532 1 144 . 1 . 1 13 13 ASN N N 15 119.940 0.400 . 1 . . . . A 112 ASN N . 34532 1 145 . 1 . 1 13 13 ASN ND2 N 15 113.021 0.400 . 1 . . . . A 112 ASN ND2 . 34532 1 146 . 1 . 1 14 14 ASN H H 1 7.361 0.020 . 1 . . . . A 113 ASN H . 34532 1 147 . 1 . 1 14 14 ASN HA H 1 4.788 0.020 . 1 . . . . A 113 ASN HA . 34532 1 148 . 1 . 1 14 14 ASN HB2 H 1 2.867 0.020 . 2 . . . . A 113 ASN HB2 . 34532 1 149 . 1 . 1 14 14 ASN HB3 H 1 2.805 0.020 . 2 . . . . A 113 ASN HB3 . 34532 1 150 . 1 . 1 14 14 ASN HD21 H 1 7.492 0.020 . 2 . . . . A 113 ASN HD21 . 34532 1 151 . 1 . 1 14 14 ASN HD22 H 1 6.887 0.020 . 2 . . . . A 113 ASN HD22 . 34532 1 152 . 1 . 1 14 14 ASN C C 13 170.245 0.400 . 1 . . . . A 113 ASN C . 34532 1 153 . 1 . 1 14 14 ASN CA C 13 50.371 0.400 . 1 . . . . A 113 ASN CA . 34532 1 154 . 1 . 1 14 14 ASN CB C 13 37.640 0.400 . 1 . . . . A 113 ASN CB . 34532 1 155 . 1 . 1 14 14 ASN N N 15 115.542 0.400 . 1 . . . . A 113 ASN N . 34532 1 156 . 1 . 1 14 14 ASN ND2 N 15 112.542 0.400 . 1 . . . . A 113 ASN ND2 . 34532 1 157 . 1 . 1 15 15 ASP H H 1 7.865 0.020 . 1 . . . . A 114 ASP H . 34532 1 158 . 1 . 1 15 15 ASP HA H 1 3.535 0.020 . 1 . . . . A 114 ASP HA . 34532 1 159 . 1 . 1 15 15 ASP HB2 H 1 1.779 0.020 . 1 . . . . A 114 ASP HB2 . 34532 1 160 . 1 . 1 15 15 ASP HB3 H 1 2.059 0.020 . 1 . . . . A 114 ASP HB3 . 34532 1 161 . 1 . 1 15 15 ASP C C 13 173.333 0.400 . 1 . . . . A 114 ASP C . 34532 1 162 . 1 . 1 15 15 ASP CA C 13 50.022 0.400 . 1 . . . . A 114 ASP CA . 34532 1 163 . 1 . 1 15 15 ASP CB C 13 36.826 0.400 . 1 . . . . A 114 ASP CB . 34532 1 164 . 1 . 1 15 15 ASP N N 15 121.227 0.400 . 1 . . . . A 114 ASP N . 34532 1 165 . 1 . 1 16 16 CYS H H 1 8.195 0.020 . 1 . . . . A 115 CYS H . 34532 1 166 . 1 . 1 16 16 CYS HA H 1 3.050 0.020 . 1 . . . . A 115 CYS HA . 34532 1 167 . 1 . 1 16 16 CYS HB2 H 1 2.799 0.020 . 2 . . . . A 115 CYS HB2 . 34532 1 168 . 1 . 1 16 16 CYS HB3 H 1 2.668 0.020 . 2 . . . . A 115 CYS HB3 . 34532 1 169 . 1 . 1 16 16 CYS C C 13 170.836 0.400 . 1 . . . . A 115 CYS C . 34532 1 170 . 1 . 1 16 16 CYS CA C 13 53.254 0.400 . 1 . . . . A 115 CYS CA . 34532 1 171 . 1 . 1 16 16 CYS CB C 13 39.425 0.400 . 1 . . . . A 115 CYS CB . 34532 1 172 . 1 . 1 16 16 CYS N N 15 114.731 0.400 . 1 . . . . A 115 CYS N . 34532 1 173 . 1 . 1 17 17 SER H H 1 7.905 0.020 . 1 . . . . A 116 SER H . 34532 1 174 . 1 . 1 17 17 SER HA H 1 3.452 0.020 . 1 . . . . A 116 SER HA . 34532 1 175 . 1 . 1 17 17 SER HB2 H 1 3.514 0.020 . 2 . . . . A 116 SER HB2 . 34532 1 176 . 1 . 1 17 17 SER HB3 H 1 3.040 0.020 . 2 . . . . A 116 SER HB3 . 34532 1 177 . 1 . 1 17 17 SER C C 13 171.085 0.400 . 1 . . . . A 116 SER C . 34532 1 178 . 1 . 1 17 17 SER CA C 13 54.515 0.400 . 1 . . . . A 116 SER CA . 34532 1 179 . 1 . 1 17 17 SER CB C 13 60.996 0.400 . 1 . . . . A 116 SER CB . 34532 1 180 . 1 . 1 17 17 SER N N 15 110.813 0.400 . 1 . . . . A 116 SER N . 34532 1 181 . 1 . 1 18 18 SER H H 1 7.297 0.020 . 1 . . . . A 117 SER H . 34532 1 182 . 1 . 1 18 18 SER HA H 1 5.069 0.020 . 1 . . . . A 117 SER HA . 34532 1 183 . 1 . 1 18 18 SER HB2 H 1 4.228 0.020 . 2 . . . . A 117 SER HB2 . 34532 1 184 . 1 . 1 18 18 SER HB3 H 1 4.049 0.020 . 2 . . . . A 117 SER HB3 . 34532 1 185 . 1 . 1 18 18 SER CA C 13 53.931 0.400 . 1 . . . . A 117 SER CA . 34532 1 186 . 1 . 1 18 18 SER CB C 13 60.882 0.400 . 1 . . . . A 117 SER CB . 34532 1 187 . 1 . 1 18 18 SER N N 15 117.569 0.400 . 1 . . . . A 117 SER N . 34532 1 188 . 1 . 1 19 19 PRO HA H 1 4.472 0.020 . 1 . . . . A 118 PRO HA . 34532 1 189 . 1 . 1 19 19 PRO HB2 H 1 2.547 0.020 . 2 . . . . A 118 PRO HB2 . 34532 1 190 . 1 . 1 19 19 PRO HB3 H 1 2.068 0.020 . 2 . . . . A 118 PRO HB3 . 34532 1 191 . 1 . 1 19 19 PRO HG2 H 1 2.263 0.020 . 2 . . . . A 118 PRO HG2 . 34532 1 192 . 1 . 1 19 19 PRO HG3 H 1 2.193 0.020 . 2 . . . . A 118 PRO HG3 . 34532 1 193 . 1 . 1 19 19 PRO HD2 H 1 4.112 0.020 . 2 . . . . A 118 PRO HD2 . 34532 1 194 . 1 . 1 19 19 PRO HD3 H 1 3.985 0.020 . 2 . . . . A 118 PRO HD3 . 34532 1 195 . 1 . 1 19 19 PRO C C 13 175.605 0.400 . 1 . . . . A 118 PRO C . 34532 1 196 . 1 . 1 19 19 PRO CA C 13 62.924 0.400 . 1 . . . . A 118 PRO CA . 34532 1 197 . 1 . 1 19 19 PRO CB C 13 29.391 0.400 . 1 . . . . A 118 PRO CB . 34532 1 198 . 1 . 1 19 19 PRO CG C 13 25.227 0.400 . 1 . . . . A 118 PRO CG . 34532 1 199 . 1 . 1 19 19 PRO CD C 13 48.628 0.400 . 1 . . . . A 118 PRO CD . 34532 1 200 . 1 . 1 20 20 GLU H H 1 9.307 0.020 . 1 . . . . A 119 GLU H . 34532 1 201 . 1 . 1 20 20 GLU HA H 1 4.209 0.020 . 1 . . . . A 119 GLU HA . 34532 1 202 . 1 . 1 20 20 GLU HB2 H 1 1.773 0.020 . 2 . . . . A 119 GLU HB2 . 34532 1 203 . 1 . 1 20 20 GLU HB3 H 1 1.773 0.020 . 2 . . . . A 119 GLU HB3 . 34532 1 204 . 1 . 1 20 20 GLU HG2 H 1 1.917 0.020 . 2 . . . . A 119 GLU HG2 . 34532 1 205 . 1 . 1 20 20 GLU HG3 H 1 1.742 0.020 . 2 . . . . A 119 GLU HG3 . 34532 1 206 . 1 . 1 20 20 GLU C C 13 174.514 0.400 . 1 . . . . A 119 GLU C . 34532 1 207 . 1 . 1 20 20 GLU CA C 13 55.949 0.400 . 1 . . . . A 119 GLU CA . 34532 1 208 . 1 . 1 20 20 GLU CB C 13 25.707 0.400 . 1 . . . . A 119 GLU CB . 34532 1 209 . 1 . 1 20 20 GLU CG C 13 33.155 0.400 . 1 . . . . A 119 GLU CG . 34532 1 210 . 1 . 1 20 20 GLU N N 15 117.605 0.400 . 1 . . . . A 119 GLU N . 34532 1 211 . 1 . 1 21 21 PHE H H 1 8.186 0.020 . 1 . . . . A 120 PHE H . 34532 1 212 . 1 . 1 21 21 PHE HA H 1 4.936 0.020 . 1 . . . . A 120 PHE HA . 34532 1 213 . 1 . 1 21 21 PHE HB2 H 1 3.064 0.020 . 1 . . . . A 120 PHE HB2 . 34532 1 214 . 1 . 1 21 21 PHE HB3 H 1 3.897 0.020 . 1 . . . . A 120 PHE HB3 . 34532 1 215 . 1 . 1 21 21 PHE HD1 H 1 7.563 0.020 . 1 . . . . A 120 PHE HD1 . 34532 1 216 . 1 . 1 21 21 PHE HD2 H 1 7.563 0.020 . 1 . . . . A 120 PHE HD2 . 34532 1 217 . 1 . 1 21 21 PHE C C 13 172.542 0.400 . 1 . . . . A 120 PHE C . 34532 1 218 . 1 . 1 21 21 PHE CA C 13 55.249 0.400 . 1 . . . . A 120 PHE CA . 34532 1 219 . 1 . 1 21 21 PHE CB C 13 36.826 0.400 . 1 . . . . A 120 PHE CB . 34532 1 220 . 1 . 1 21 21 PHE CD1 C 13 129.401 0.400 . 3 . . . . A 120 PHE CD1 . 34532 1 221 . 1 . 1 21 21 PHE N N 15 117.952 0.400 . 1 . . . . A 120 PHE N . 34532 1 222 . 1 . 1 22 22 ILE H H 1 7.455 0.020 . 1 . . . . A 121 ILE H . 34532 1 223 . 1 . 1 22 22 ILE HA H 1 3.905 0.020 . 1 . . . . A 121 ILE HA . 34532 1 224 . 1 . 1 22 22 ILE HB H 1 1.772 0.020 . 1 . . . . A 121 ILE HB . 34532 1 225 . 1 . 1 22 22 ILE HG12 H 1 0.502 0.020 . 2 . . . . A 121 ILE HG12 . 34532 1 226 . 1 . 1 22 22 ILE HG13 H 1 1.878 0.020 . 2 . . . . A 121 ILE HG13 . 34532 1 227 . 1 . 1 22 22 ILE HG21 H 1 0.665 0.020 . 1 . . . . A 121 ILE HG21 . 34532 1 228 . 1 . 1 22 22 ILE HG22 H 1 0.665 0.020 . 1 . . . . A 121 ILE HG22 . 34532 1 229 . 1 . 1 22 22 ILE HG23 H 1 0.665 0.020 . 1 . . . . A 121 ILE HG23 . 34532 1 230 . 1 . 1 22 22 ILE HD11 H 1 0.977 0.020 . 1 . . . . A 121 ILE HD11 . 34532 1 231 . 1 . 1 22 22 ILE HD12 H 1 0.977 0.020 . 1 . . . . A 121 ILE HD12 . 34532 1 232 . 1 . 1 22 22 ILE HD13 H 1 0.977 0.020 . 1 . . . . A 121 ILE HD13 . 34532 1 233 . 1 . 1 22 22 ILE C C 13 173.907 0.400 . 1 . . . . A 121 ILE C . 34532 1 234 . 1 . 1 22 22 ILE CA C 13 61.580 0.400 . 1 . . . . A 121 ILE CA . 34532 1 235 . 1 . 1 22 22 ILE CB C 13 35.567 0.400 . 1 . . . . A 121 ILE CB . 34532 1 236 . 1 . 1 22 22 ILE CG1 C 13 26.834 0.400 . 1 . . . . A 121 ILE CG1 . 34532 1 237 . 1 . 1 22 22 ILE CG2 C 13 14.404 0.400 . 1 . . . . A 121 ILE CG2 . 34532 1 238 . 1 . 1 22 22 ILE CD1 C 13 11.141 0.400 . 1 . . . . A 121 ILE CD1 . 34532 1 239 . 1 . 1 22 22 ILE N N 15 121.295 0.400 . 1 . . . . A 121 ILE N . 34532 1 240 . 1 . 1 23 23 VAL H H 1 8.944 0.020 . 1 . . . . A 122 VAL H . 34532 1 241 . 1 . 1 23 23 VAL HA H 1 4.639 0.020 . 1 . . . . A 122 VAL HA . 34532 1 242 . 1 . 1 23 23 VAL HB H 1 2.088 0.020 . 1 . . . . A 122 VAL HB . 34532 1 243 . 1 . 1 23 23 VAL HG11 H 1 0.999 0.020 . 1 . . . . A 122 VAL HG11 . 34532 1 244 . 1 . 1 23 23 VAL HG12 H 1 0.999 0.020 . 1 . . . . A 122 VAL HG12 . 34532 1 245 . 1 . 1 23 23 VAL HG13 H 1 0.999 0.020 . 1 . . . . A 122 VAL HG13 . 34532 1 246 . 1 . 1 23 23 VAL HG21 H 1 0.921 0.020 . 1 . . . . A 122 VAL HG21 . 34532 1 247 . 1 . 1 23 23 VAL HG22 H 1 0.921 0.020 . 1 . . . . A 122 VAL HG22 . 34532 1 248 . 1 . 1 23 23 VAL HG23 H 1 0.921 0.020 . 1 . . . . A 122 VAL HG23 . 34532 1 249 . 1 . 1 23 23 VAL C C 13 171.715 0.400 . 1 . . . . A 122 VAL C . 34532 1 250 . 1 . 1 23 23 VAL CA C 13 57.328 0.400 . 1 . . . . A 122 VAL CA . 34532 1 251 . 1 . 1 23 23 VAL CB C 13 33.264 0.400 . 1 . . . . A 122 VAL CB . 34532 1 252 . 1 . 1 23 23 VAL CG1 C 13 19.261 0.400 . 2 . . . . A 122 VAL CG1 . 34532 1 253 . 1 . 1 23 23 VAL CG2 C 13 18.752 0.400 . 2 . . . . A 122 VAL CG2 . 34532 1 254 . 1 . 1 23 23 VAL N N 15 125.345 0.400 . 1 . . . . A 122 VAL N . 34532 1 255 . 1 . 1 24 24 ASN H H 1 8.396 0.020 . 1 . . . . A 123 ASN H . 34532 1 256 . 1 . 1 24 24 ASN HA H 1 4.885 0.020 . 1 . . . . A 123 ASN HA . 34532 1 257 . 1 . 1 24 24 ASN HB2 H 1 2.832 0.020 . 2 . . . . A 123 ASN HB2 . 34532 1 258 . 1 . 1 24 24 ASN HB3 H 1 2.832 0.020 . 2 . . . . A 123 ASN HB3 . 34532 1 259 . 1 . 1 24 24 ASN HD21 H 1 7.381 0.020 . 2 . . . . A 123 ASN HD21 . 34532 1 260 . 1 . 1 24 24 ASN HD22 H 1 6.570 0.020 . 2 . . . . A 123 ASN HD22 . 34532 1 261 . 1 . 1 24 24 ASN C C 13 172.277 0.400 . 1 . . . . A 123 ASN C . 34532 1 262 . 1 . 1 24 24 ASN CA C 13 50.071 0.400 . 1 . . . . A 123 ASN CA . 34532 1 263 . 1 . 1 24 24 ASN CB C 13 36.247 0.400 . 1 . . . . A 123 ASN CB . 34532 1 264 . 1 . 1 24 24 ASN N N 15 120.262 0.400 . 1 . . . . A 123 ASN N . 34532 1 265 . 1 . 1 24 24 ASN ND2 N 15 110.357 0.400 . 1 . . . . A 123 ASN ND2 . 34532 1 266 . 1 . 1 25 25 CYS H H 1 8.469 0.020 . 1 . . . . A 124 CYS H . 34532 1 267 . 1 . 1 25 25 CYS HA H 1 4.878 0.020 . 1 . . . . A 124 CYS HA . 34532 1 268 . 1 . 1 25 25 CYS HB2 H 1 3.562 0.020 . 2 . . . . A 124 CYS HB2 . 34532 1 269 . 1 . 1 25 25 CYS HB3 H 1 3.076 0.020 . 2 . . . . A 124 CYS HB3 . 34532 1 270 . 1 . 1 25 25 CYS CA C 13 51.007 0.400 . 1 . . . . A 124 CYS CA . 34532 1 271 . 1 . 1 25 25 CYS CB C 13 34.008 0.400 . 1 . . . . A 124 CYS CB . 34532 1 272 . 1 . 1 25 25 CYS N N 15 124.421 0.400 . 1 . . . . A 124 CYS N . 34532 1 273 . 1 . 1 26 26 THR HA H 1 4.268 0.020 . 1 . . . . A 125 THR HA . 34532 1 274 . 1 . 1 26 26 THR HB H 1 4.166 0.020 . 1 . . . . A 125 THR HB . 34532 1 275 . 1 . 1 26 26 THR HG21 H 1 1.365 0.020 . 1 . . . . A 125 THR HG21 . 34532 1 276 . 1 . 1 26 26 THR HG22 H 1 1.365 0.020 . 1 . . . . A 125 THR HG22 . 34532 1 277 . 1 . 1 26 26 THR HG23 H 1 1.365 0.020 . 1 . . . . A 125 THR HG23 . 34532 1 278 . 1 . 1 26 26 THR CA C 13 61.238 0.400 . 1 . . . . A 125 THR CA . 34532 1 279 . 1 . 1 26 26 THR CB C 13 66.809 0.400 . 1 . . . . A 125 THR CB . 34532 1 280 . 1 . 1 26 26 THR CG2 C 13 19.617 0.400 . 1 . . . . A 125 THR CG2 . 34532 1 281 . 1 . 1 27 27 VAL HA H 1 4.076 0.020 . 1 . . . . A 126 VAL HA . 34532 1 282 . 1 . 1 27 27 VAL HB H 1 2.088 0.020 . 1 . . . . A 126 VAL HB . 34532 1 283 . 1 . 1 27 27 VAL HG11 H 1 1.142 0.020 . 2 . . . . A 126 VAL HG11 . 34532 1 284 . 1 . 1 27 27 VAL HG12 H 1 1.142 0.020 . 2 . . . . A 126 VAL HG12 . 34532 1 285 . 1 . 1 27 27 VAL HG13 H 1 1.142 0.020 . 2 . . . . A 126 VAL HG13 . 34532 1 286 . 1 . 1 27 27 VAL HG21 H 1 1.142 0.020 . 2 . . . . A 126 VAL HG21 . 34532 1 287 . 1 . 1 27 27 VAL HG22 H 1 1.142 0.020 . 2 . . . . A 126 VAL HG22 . 34532 1 288 . 1 . 1 27 27 VAL HG23 H 1 1.142 0.020 . 2 . . . . A 126 VAL HG23 . 34532 1 289 . 1 . 1 27 27 VAL CA C 13 61.152 0.400 . 1 . . . . A 126 VAL CA . 34532 1 290 . 1 . 1 27 27 VAL CB C 13 29.468 0.400 . 1 . . . . A 126 VAL CB . 34532 1 291 . 1 . 1 27 27 VAL CG1 C 13 18.600 0.400 . 2 . . . . A 126 VAL CG1 . 34532 1 292 . 1 . 1 27 27 VAL CG2 C 13 18.976 0.400 . 2 . . . . A 126 VAL CG2 . 34532 1 293 . 1 . 1 29 29 VAL HA H 1 4.262 0.020 . 1 . . . . A 128 VAL HA . 34532 1 294 . 1 . 1 29 29 VAL HB H 1 2.082 0.020 . 1 . . . . A 128 VAL HB . 34532 1 295 . 1 . 1 29 29 VAL HG11 H 1 1.078 0.020 . 2 . . . . A 128 VAL HG11 . 34532 1 296 . 1 . 1 29 29 VAL HG12 H 1 1.078 0.020 . 2 . . . . A 128 VAL HG12 . 34532 1 297 . 1 . 1 29 29 VAL HG13 H 1 1.078 0.020 . 2 . . . . A 128 VAL HG13 . 34532 1 298 . 1 . 1 29 29 VAL HG21 H 1 1.021 0.020 . 2 . . . . A 128 VAL HG21 . 34532 1 299 . 1 . 1 29 29 VAL HG22 H 1 1.021 0.020 . 2 . . . . A 128 VAL HG22 . 34532 1 300 . 1 . 1 29 29 VAL HG23 H 1 1.021 0.020 . 2 . . . . A 128 VAL HG23 . 34532 1 301 . 1 . 1 29 29 VAL CA C 13 60.550 0.400 . 1 . . . . A 128 VAL CA . 34532 1 302 . 1 . 1 29 29 VAL CB C 13 30.761 0.400 . 1 . . . . A 128 VAL CB . 34532 1 303 . 1 . 1 29 29 VAL CG1 C 13 18.713 0.400 . 2 . . . . A 128 VAL CG1 . 34532 1 304 . 1 . 1 29 29 VAL CG2 C 13 17.804 0.400 . 2 . . . . A 128 VAL CG2 . 34532 1 305 . 1 . 1 30 30 GLN H H 1 7.961 0.020 . 1 . . . . A 129 GLN H . 34532 1 306 . 1 . 1 30 30 GLN HA H 1 4.429 0.020 . 1 . . . . A 129 GLN HA . 34532 1 307 . 1 . 1 30 30 GLN HB2 H 1 2.511 0.020 . 2 . . . . A 129 GLN HB2 . 34532 1 308 . 1 . 1 30 30 GLN HB3 H 1 1.778 0.020 . 2 . . . . A 129 GLN HB3 . 34532 1 309 . 1 . 1 30 30 GLN HG2 H 1 2.152 0.020 . 2 . . . . A 129 GLN HG2 . 34532 1 310 . 1 . 1 30 30 GLN HG3 H 1 2.303 0.020 . 2 . . . . A 129 GLN HG3 . 34532 1 311 . 1 . 1 30 30 GLN HE21 H 1 7.509 0.020 . 2 . . . . A 129 GLN HE21 . 34532 1 312 . 1 . 1 30 30 GLN HE22 H 1 6.805 0.020 . 2 . . . . A 129 GLN HE22 . 34532 1 313 . 1 . 1 30 30 GLN C C 13 171.268 0.400 . 1 . . . . A 129 GLN C . 34532 1 314 . 1 . 1 30 30 GLN CA C 13 53.193 0.400 . 1 . . . . A 129 GLN CA . 34532 1 315 . 1 . 1 30 30 GLN CB C 13 26.328 0.400 . 1 . . . . A 129 GLN CB . 34532 1 316 . 1 . 1 30 30 GLN CG C 13 31.314 0.400 . 1 . . . . A 129 GLN CG . 34532 1 317 . 1 . 1 30 30 GLN N N 15 118.300 0.400 . 1 . . . . A 129 GLN N . 34532 1 318 . 1 . 1 30 30 GLN NE2 N 15 111.271 0.400 . 1 . . . . A 129 GLN NE2 . 34532 1 319 . 1 . 1 31 31 ASP H H 1 8.640 0.020 . 1 . . . . A 130 ASP H . 34532 1 320 . 1 . 1 31 31 ASP HA H 1 4.603 0.020 . 1 . . . . A 130 ASP HA . 34532 1 321 . 1 . 1 31 31 ASP HB2 H 1 3.043 0.020 . 2 . . . . A 130 ASP HB2 . 34532 1 322 . 1 . 1 31 31 ASP HB3 H 1 2.670 0.020 . 2 . . . . A 130 ASP HB3 . 34532 1 323 . 1 . 1 31 31 ASP C C 13 171.912 0.400 . 1 . . . . A 130 ASP C . 34532 1 324 . 1 . 1 31 31 ASP CA C 13 50.429 0.400 . 1 . . . . A 130 ASP CA . 34532 1 325 . 1 . 1 31 31 ASP CB C 13 38.503 0.400 . 1 . . . . A 130 ASP CB . 34532 1 326 . 1 . 1 31 31 ASP N N 15 122.171 0.400 . 1 . . . . A 130 ASP N . 34532 1 327 . 1 . 1 32 32 MET H H 1 8.612 0.020 . 1 . . . . A 131 MET H . 34532 1 328 . 1 . 1 32 32 MET HA H 1 5.017 0.020 . 1 . . . . A 131 MET HA . 34532 1 329 . 1 . 1 32 32 MET HB2 H 1 2.124 0.020 . 1 . . . . A 131 MET HB2 . 34532 1 330 . 1 . 1 32 32 MET HB3 H 1 1.763 0.020 . 1 . . . . A 131 MET HB3 . 34532 1 331 . 1 . 1 32 32 MET HG2 H 1 2.488 0.020 . 2 . . . . A 131 MET HG2 . 34532 1 332 . 1 . 1 32 32 MET HG3 H 1 2.733 0.020 . 2 . . . . A 131 MET HG3 . 34532 1 333 . 1 . 1 32 32 MET HE1 H 1 2.111 0.020 . 1 . . . . A 131 MET HE1 . 34532 1 334 . 1 . 1 32 32 MET HE2 H 1 2.111 0.020 . 1 . . . . A 131 MET HE2 . 34532 1 335 . 1 . 1 32 32 MET HE3 H 1 2.111 0.020 . 1 . . . . A 131 MET HE3 . 34532 1 336 . 1 . 1 32 32 MET C C 13 170.356 0.400 . 1 . . . . A 131 MET C . 34532 1 337 . 1 . 1 32 32 MET CA C 13 52.208 0.400 . 1 . . . . A 131 MET CA . 34532 1 338 . 1 . 1 32 32 MET CB C 13 36.533 0.400 . 1 . . . . A 131 MET CB . 34532 1 339 . 1 . 1 32 32 MET CG C 13 31.350 0.400 . 1 . . . . A 131 MET CG . 34532 1 340 . 1 . 1 32 32 MET N N 15 119.249 0.400 . 1 . . . . A 131 MET N . 34532 1 341 . 1 . 1 33 33 CYS H H 1 9.126 0.020 . 1 . . . . A 132 CYS H . 34532 1 342 . 1 . 1 33 33 CYS HA H 1 5.600 0.020 . 1 . . . . A 132 CYS HA . 34532 1 343 . 1 . 1 33 33 CYS HB2 H 1 3.285 0.020 . 1 . . . . A 132 CYS HB2 . 34532 1 344 . 1 . 1 33 33 CYS HB3 H 1 3.118 0.020 . 1 . . . . A 132 CYS HB3 . 34532 1 345 . 1 . 1 33 33 CYS C C 13 171.454 0.400 . 1 . . . . A 132 CYS C . 34532 1 346 . 1 . 1 33 33 CYS CA C 13 49.854 0.400 . 1 . . . . A 132 CYS CA . 34532 1 347 . 1 . 1 33 33 CYS CB C 13 35.762 0.400 . 1 . . . . A 132 CYS CB . 34532 1 348 . 1 . 1 33 33 CYS N N 15 115.661 0.400 . 1 . . . . A 132 CYS N . 34532 1 349 . 1 . 1 34 34 GLN H H 1 9.481 0.020 . 1 . . . . A 133 GLN H . 34532 1 350 . 1 . 1 34 34 GLN HA H 1 5.529 0.020 . 1 . . . . A 133 GLN HA . 34532 1 351 . 1 . 1 34 34 GLN HB2 H 1 2.082 0.020 . 2 . . . . A 133 GLN HB2 . 34532 1 352 . 1 . 1 34 34 GLN HB3 H 1 2.082 0.020 . 2 . . . . A 133 GLN HB3 . 34532 1 353 . 1 . 1 34 34 GLN HG2 H 1 2.213 0.020 . 2 . . . . A 133 GLN HG2 . 34532 1 354 . 1 . 1 34 34 GLN HG3 H 1 2.435 0.020 . 2 . . . . A 133 GLN HG3 . 34532 1 355 . 1 . 1 34 34 GLN HE21 H 1 7.118 0.020 . 2 . . . . A 133 GLN HE21 . 34532 1 356 . 1 . 1 34 34 GLN HE22 H 1 6.186 0.020 . 2 . . . . A 133 GLN HE22 . 34532 1 357 . 1 . 1 34 34 GLN C C 13 173.172 0.400 . 1 . . . . A 133 GLN C . 34532 1 358 . 1 . 1 34 34 GLN CA C 13 52.539 0.400 . 1 . . . . A 133 GLN CA . 34532 1 359 . 1 . 1 34 34 GLN CB C 13 30.794 0.400 . 1 . . . . A 133 GLN CB . 34532 1 360 . 1 . 1 34 34 GLN CG C 13 31.762 0.400 . 1 . . . . A 133 GLN CG . 34532 1 361 . 1 . 1 34 34 GLN N N 15 123.918 0.400 . 1 . . . . A 133 GLN N . 34532 1 362 . 1 . 1 34 34 GLN NE2 N 15 107.753 0.400 . 1 . . . . A 133 GLN NE2 . 34532 1 363 . 1 . 1 35 35 LYS H H 1 8.955 0.020 . 1 . . . . A 134 LYS H . 34532 1 364 . 1 . 1 35 35 LYS HA H 1 5.195 0.020 . 1 . . . . A 134 LYS HA . 34532 1 365 . 1 . 1 35 35 LYS HB2 H 1 1.861 0.020 . 2 . . . . A 134 LYS HB2 . 34532 1 366 . 1 . 1 35 35 LYS HB3 H 1 2.092 0.020 . 2 . . . . A 134 LYS HB3 . 34532 1 367 . 1 . 1 35 35 LYS HG2 H 1 1.511 0.020 . 2 . . . . A 134 LYS HG2 . 34532 1 368 . 1 . 1 35 35 LYS HG3 H 1 1.511 0.020 . 2 . . . . A 134 LYS HG3 . 34532 1 369 . 1 . 1 35 35 LYS HD2 H 1 1.794 0.020 . 2 . . . . A 134 LYS HD2 . 34532 1 370 . 1 . 1 35 35 LYS HD3 H 1 1.794 0.020 . 2 . . . . A 134 LYS HD3 . 34532 1 371 . 1 . 1 35 35 LYS HE2 H 1 2.949 0.020 . 2 . . . . A 134 LYS HE2 . 34532 1 372 . 1 . 1 35 35 LYS HE3 H 1 3.014 0.020 . 2 . . . . A 134 LYS HE3 . 34532 1 373 . 1 . 1 35 35 LYS C C 13 170.096 0.400 . 1 . . . . A 134 LYS C . 34532 1 374 . 1 . 1 35 35 LYS CA C 13 53.162 0.400 . 1 . . . . A 134 LYS CA . 34532 1 375 . 1 . 1 35 35 LYS CB C 13 34.395 0.400 . 1 . . . . A 134 LYS CB . 34532 1 376 . 1 . 1 35 35 LYS CG C 13 22.532 0.400 . 1 . . . . A 134 LYS CG . 34532 1 377 . 1 . 1 35 35 LYS CD C 13 27.367 0.400 . 1 . . . . A 134 LYS CD . 34532 1 378 . 1 . 1 35 35 LYS CE C 13 39.130 0.400 . 1 . . . . A 134 LYS CE . 34532 1 379 . 1 . 1 35 35 LYS N N 15 127.654 0.400 . 1 . . . . A 134 LYS N . 34532 1 380 . 1 . 1 36 36 GLU H H 1 9.347 0.020 . 1 . . . . A 135 GLU H . 34532 1 381 . 1 . 1 36 36 GLU HA H 1 5.338 0.020 . 1 . . . . A 135 GLU HA . 34532 1 382 . 1 . 1 36 36 GLU HB2 H 1 2.082 0.020 . 2 . . . . A 135 GLU HB2 . 34532 1 383 . 1 . 1 36 36 GLU HB3 H 1 2.082 0.020 . 2 . . . . A 135 GLU HB3 . 34532 1 384 . 1 . 1 36 36 GLU HG2 H 1 2.204 0.020 . 2 . . . . A 135 GLU HG2 . 34532 1 385 . 1 . 1 36 36 GLU HG3 H 1 2.204 0.020 . 2 . . . . A 135 GLU HG3 . 34532 1 386 . 1 . 1 36 36 GLU C C 13 171.949 0.400 . 1 . . . . A 135 GLU C . 34532 1 387 . 1 . 1 36 36 GLU CA C 13 52.096 0.400 . 1 . . . . A 135 GLU CA . 34532 1 388 . 1 . 1 36 36 GLU CB C 13 29.863 0.400 . 1 . . . . A 135 GLU CB . 34532 1 389 . 1 . 1 36 36 GLU CG C 13 33.674 0.400 . 1 . . . . A 135 GLU CG . 34532 1 390 . 1 . 1 36 36 GLU N N 15 126.766 0.400 . 1 . . . . A 135 GLU N . 34532 1 391 . 1 . 1 37 37 VAL H H 1 8.610 0.020 . 1 . . . . A 136 VAL H . 34532 1 392 . 1 . 1 37 37 VAL HA H 1 4.868 0.020 . 1 . . . . A 136 VAL HA . 34532 1 393 . 1 . 1 37 37 VAL HB H 1 1.941 0.020 . 1 . . . . A 136 VAL HB . 34532 1 394 . 1 . 1 37 37 VAL HG11 H 1 0.698 0.020 . 1 . . . . A 136 VAL HG11 . 34532 1 395 . 1 . 1 37 37 VAL HG12 H 1 0.698 0.020 . 1 . . . . A 136 VAL HG12 . 34532 1 396 . 1 . 1 37 37 VAL HG13 H 1 0.698 0.020 . 1 . . . . A 136 VAL HG13 . 34532 1 397 . 1 . 1 37 37 VAL HG21 H 1 0.988 0.020 . 1 . . . . A 136 VAL HG21 . 34532 1 398 . 1 . 1 37 37 VAL HG22 H 1 0.988 0.020 . 1 . . . . A 136 VAL HG22 . 34532 1 399 . 1 . 1 37 37 VAL HG23 H 1 0.988 0.020 . 1 . . . . A 136 VAL HG23 . 34532 1 400 . 1 . 1 37 37 VAL C C 13 172.792 0.400 . 1 . . . . A 136 VAL C . 34532 1 401 . 1 . 1 37 37 VAL CA C 13 58.299 0.400 . 1 . . . . A 136 VAL CA . 34532 1 402 . 1 . 1 37 37 VAL CB C 13 32.190 0.400 . 1 . . . . A 136 VAL CB . 34532 1 403 . 1 . 1 37 37 VAL CG1 C 13 18.945 0.400 . 2 . . . . A 136 VAL CG1 . 34532 1 404 . 1 . 1 37 37 VAL CG2 C 13 18.478 0.400 . 2 . . . . A 136 VAL CG2 . 34532 1 405 . 1 . 1 37 37 VAL N N 15 122.611 0.400 . 1 . . . . A 136 VAL N . 34532 1 406 . 1 . 1 38 38 MET H H 1 9.243 0.020 . 1 . . . . A 137 MET H . 34532 1 407 . 1 . 1 38 38 MET HA H 1 5.632 0.020 . 1 . . . . A 137 MET HA . 34532 1 408 . 1 . 1 38 38 MET HB2 H 1 1.800 0.020 . 2 . . . . A 137 MET HB2 . 34532 1 409 . 1 . 1 38 38 MET HB3 H 1 1.737 0.020 . 2 . . . . A 137 MET HB3 . 34532 1 410 . 1 . 1 38 38 MET HG2 H 1 2.174 0.020 . 2 . . . . A 137 MET HG2 . 34532 1 411 . 1 . 1 38 38 MET HG3 H 1 2.357 0.020 . 2 . . . . A 137 MET HG3 . 34532 1 412 . 1 . 1 38 38 MET C C 13 171.664 0.400 . 1 . . . . A 137 MET C . 34532 1 413 . 1 . 1 38 38 MET CA C 13 51.237 0.400 . 1 . . . . A 137 MET CA . 34532 1 414 . 1 . 1 38 38 MET CB C 13 34.189 0.400 . 1 . . . . A 137 MET CB . 34532 1 415 . 1 . 1 38 38 MET CG C 13 28.910 0.400 . 1 . . . . A 137 MET CG . 34532 1 416 . 1 . 1 38 38 MET N N 15 128.760 0.400 . 1 . . . . A 137 MET N . 34532 1 417 . 1 . 1 39 39 GLU H H 1 8.650 0.020 . 1 . . . . A 138 GLU H . 34532 1 418 . 1 . 1 39 39 GLU HA H 1 4.597 0.020 . 1 . . . . A 138 GLU HA . 34532 1 419 . 1 . 1 39 39 GLU HB2 H 1 2.138 0.020 . 2 . . . . A 138 GLU HB2 . 34532 1 420 . 1 . 1 39 39 GLU HG2 H 1 2.105 0.020 . 2 . . . . A 138 GLU HG2 . 34532 1 421 . 1 . 1 39 39 GLU HG3 H 1 2.251 0.020 . 2 . . . . A 138 GLU HG3 . 34532 1 422 . 1 . 1 39 39 GLU C C 13 172.876 0.400 . 1 . . . . A 138 GLU C . 34532 1 423 . 1 . 1 39 39 GLU CA C 13 53.928 0.400 . 1 . . . . A 138 GLU CA . 34532 1 424 . 1 . 1 39 39 GLU CB C 13 27.478 0.400 . 1 . . . . A 138 GLU CB . 34532 1 425 . 1 . 1 39 39 GLU CG C 13 33.998 0.400 . 1 . . . . A 138 GLU CG . 34532 1 426 . 1 . 1 39 39 GLU N N 15 126.525 0.400 . 1 . . . . A 138 GLU N . 34532 1 427 . 1 . 1 40 40 GLN H H 1 8.214 0.020 . 1 . . . . A 139 GLN H . 34532 1 428 . 1 . 1 40 40 GLN HA H 1 4.990 0.020 . 1 . . . . A 139 GLN HA . 34532 1 429 . 1 . 1 40 40 GLN HB2 H 1 2.532 0.020 . 1 . . . . A 139 GLN HB2 . 34532 1 430 . 1 . 1 40 40 GLN HB3 H 1 2.136 0.020 . 1 . . . . A 139 GLN HB3 . 34532 1 431 . 1 . 1 40 40 GLN HG2 H 1 2.344 0.020 . 2 . . . . A 139 GLN HG2 . 34532 1 432 . 1 . 1 40 40 GLN HG3 H 1 2.344 0.020 . 2 . . . . A 139 GLN HG3 . 34532 1 433 . 1 . 1 40 40 GLN HE21 H 1 7.053 0.020 . 2 . . . . A 139 GLN HE21 . 34532 1 434 . 1 . 1 40 40 GLN HE22 H 1 6.837 0.020 . 2 . . . . A 139 GLN HE22 . 34532 1 435 . 1 . 1 40 40 GLN C C 13 174.056 0.400 . 1 . . . . A 139 GLN C . 34532 1 436 . 1 . 1 40 40 GLN CA C 13 51.793 0.400 . 1 . . . . A 139 GLN CA . 34532 1 437 . 1 . 1 40 40 GLN CB C 13 29.251 0.400 . 1 . . . . A 139 GLN CB . 34532 1 438 . 1 . 1 40 40 GLN CG C 13 31.408 0.400 . 1 . . . . A 139 GLN CG . 34532 1 439 . 1 . 1 40 40 GLN N N 15 122.953 0.400 . 1 . . . . A 139 GLN N . 34532 1 440 . 1 . 1 40 40 GLN NE2 N 15 111.068 0.400 . 1 . . . . A 139 GLN NE2 . 34532 1 441 . 1 . 1 41 41 SER H H 1 9.023 0.020 . 1 . . . . A 140 SER H . 34532 1 442 . 1 . 1 41 41 SER HA H 1 4.145 0.020 . 1 . . . . A 140 SER HA . 34532 1 443 . 1 . 1 41 41 SER HB2 H 1 4.017 0.020 . 2 . . . . A 140 SER HB2 . 34532 1 444 . 1 . 1 41 41 SER HB3 H 1 4.017 0.020 . 2 . . . . A 140 SER HB3 . 34532 1 445 . 1 . 1 41 41 SER C C 13 173.560 0.400 . 1 . . . . A 140 SER C . 34532 1 446 . 1 . 1 41 41 SER CA C 13 59.700 0.400 . 1 . . . . A 140 SER CA . 34532 1 447 . 1 . 1 41 41 SER CB C 13 60.056 0.400 . 1 . . . . A 140 SER CB . 34532 1 448 . 1 . 1 41 41 SER N N 15 118.199 0.400 . 1 . . . . A 140 SER N . 34532 1 449 . 1 . 1 42 42 ALA H H 1 8.055 0.020 . 1 . . . . A 141 ALA H . 34532 1 450 . 1 . 1 42 42 ALA HA H 1 4.431 0.020 . 1 . . . . A 141 ALA HA . 34532 1 451 . 1 . 1 42 42 ALA HB1 H 1 1.456 0.020 . 1 . . . . A 141 ALA HB1 . 34532 1 452 . 1 . 1 42 42 ALA HB2 H 1 1.456 0.020 . 1 . . . . A 141 ALA HB2 . 34532 1 453 . 1 . 1 42 42 ALA HB3 H 1 1.456 0.020 . 1 . . . . A 141 ALA HB3 . 34532 1 454 . 1 . 1 42 42 ALA C C 13 174.077 0.400 . 1 . . . . A 141 ALA C . 34532 1 455 . 1 . 1 42 42 ALA CA C 13 50.167 0.400 . 1 . . . . A 141 ALA CA . 34532 1 456 . 1 . 1 42 42 ALA CB C 13 16.908 0.400 . 1 . . . . A 141 ALA CB . 34532 1 457 . 1 . 1 42 42 ALA N N 15 119.606 0.400 . 1 . . . . A 141 ALA N . 34532 1 458 . 1 . 1 43 43 GLY H H 1 7.418 0.020 . 1 . . . . A 142 GLY H . 34532 1 459 . 1 . 1 43 43 GLY HA2 H 1 4.519 0.020 . 2 . . . . A 142 GLY HA2 . 34532 1 460 . 1 . 1 43 43 GLY HA3 H 1 4.519 0.020 . 2 . . . . A 142 GLY HA3 . 34532 1 461 . 1 . 1 43 43 GLY C C 13 168.295 0.400 . 1 . . . . A 142 GLY C . 34532 1 462 . 1 . 1 43 43 GLY CA C 13 41.832 0.400 . 1 . . . . A 142 GLY CA . 34532 1 463 . 1 . 1 43 43 GLY N N 15 105.118 0.400 . 1 . . . . A 142 GLY N . 34532 1 464 . 1 . 1 44 44 ILE H H 1 8.009 0.020 . 1 . . . . A 143 ILE H . 34532 1 465 . 1 . 1 44 44 ILE HA H 1 4.533 0.020 . 1 . . . . A 143 ILE HA . 34532 1 466 . 1 . 1 44 44 ILE HB H 1 1.790 0.020 . 1 . . . . A 143 ILE HB . 34532 1 467 . 1 . 1 44 44 ILE HG12 H 1 1.654 0.020 . 2 . . . . A 143 ILE HG12 . 34532 1 468 . 1 . 1 44 44 ILE HG13 H 1 1.025 0.020 . 2 . . . . A 143 ILE HG13 . 34532 1 469 . 1 . 1 44 44 ILE HG21 H 1 0.545 0.020 . 1 . . . . A 143 ILE HG21 . 34532 1 470 . 1 . 1 44 44 ILE HG22 H 1 0.545 0.020 . 1 . . . . A 143 ILE HG22 . 34532 1 471 . 1 . 1 44 44 ILE HG23 H 1 0.545 0.020 . 1 . . . . A 143 ILE HG23 . 34532 1 472 . 1 . 1 44 44 ILE HD11 H 1 0.899 0.020 . 1 . . . . A 143 ILE HD11 . 34532 1 473 . 1 . 1 44 44 ILE HD12 H 1 0.899 0.020 . 1 . . . . A 143 ILE HD12 . 34532 1 474 . 1 . 1 44 44 ILE HD13 H 1 0.899 0.020 . 1 . . . . A 143 ILE HD13 . 34532 1 475 . 1 . 1 44 44 ILE C C 13 172.246 0.400 . 1 . . . . A 143 ILE C . 34532 1 476 . 1 . 1 44 44 ILE CA C 13 58.279 0.400 . 1 . . . . A 143 ILE CA . 34532 1 477 . 1 . 1 44 44 ILE CB C 13 36.138 0.400 . 1 . . . . A 143 ILE CB . 34532 1 478 . 1 . 1 44 44 ILE CG1 C 13 25.845 0.400 . 1 . . . . A 143 ILE CG1 . 34532 1 479 . 1 . 1 44 44 ILE CG2 C 13 15.560 0.400 . 1 . . . . A 143 ILE CG2 . 34532 1 480 . 1 . 1 44 44 ILE CD1 C 13 10.400 0.400 . 1 . . . . A 143 ILE CD1 . 34532 1 481 . 1 . 1 44 44 ILE N N 15 120.103 0.400 . 1 . . . . A 143 ILE N . 34532 1 482 . 1 . 1 45 45 MET H H 1 9.047 0.020 . 1 . . . . A 144 MET H . 34532 1 483 . 1 . 1 45 45 MET HA H 1 5.422 0.020 . 1 . . . . A 144 MET HA . 34532 1 484 . 1 . 1 45 45 MET HB2 H 1 1.941 0.020 . 2 . . . . A 144 MET HB2 . 34532 1 485 . 1 . 1 45 45 MET HB3 H 1 1.822 0.020 . 2 . . . . A 144 MET HB3 . 34532 1 486 . 1 . 1 45 45 MET HG2 H 1 2.347 0.020 . 2 . . . . A 144 MET HG2 . 34532 1 487 . 1 . 1 45 45 MET HG3 H 1 2.347 0.020 . 2 . . . . A 144 MET HG3 . 34532 1 488 . 1 . 1 45 45 MET C C 13 172.011 0.400 . 1 . . . . A 144 MET C . 34532 1 489 . 1 . 1 45 45 MET CA C 13 51.202 0.400 . 1 . . . . A 144 MET CA . 34532 1 490 . 1 . 1 45 45 MET CB C 13 34.114 0.400 . 1 . . . . A 144 MET CB . 34532 1 491 . 1 . 1 45 45 MET CG C 13 29.770 0.400 . 1 . . . . A 144 MET CG . 34532 1 492 . 1 . 1 45 45 MET N N 15 125.123 0.400 . 1 . . . . A 144 MET N . 34532 1 493 . 1 . 1 46 46 TYR H H 1 8.761 0.020 . 1 . . . . A 145 TYR H . 34532 1 494 . 1 . 1 46 46 TYR HA H 1 5.722 0.020 . 1 . . . . A 145 TYR HA . 34532 1 495 . 1 . 1 46 46 TYR HB2 H 1 2.665 0.020 . 1 . . . . A 145 TYR HB2 . 34532 1 496 . 1 . 1 46 46 TYR HB3 H 1 3.153 0.020 . 1 . . . . A 145 TYR HB3 . 34532 1 497 . 1 . 1 46 46 TYR HD1 H 1 7.056 0.020 . 1 . . . . A 145 TYR HD1 . 34532 1 498 . 1 . 1 46 46 TYR HD2 H 1 7.056 0.020 . 1 . . . . A 145 TYR HD2 . 34532 1 499 . 1 . 1 46 46 TYR HE1 H 1 6.745 0.020 . 1 . . . . A 145 TYR HE1 . 34532 1 500 . 1 . 1 46 46 TYR HE2 H 1 6.745 0.020 . 1 . . . . A 145 TYR HE2 . 34532 1 501 . 1 . 1 46 46 TYR C C 13 172.752 0.400 . 1 . . . . A 145 TYR C . 34532 1 502 . 1 . 1 46 46 TYR CA C 13 54.645 0.400 . 1 . . . . A 145 TYR CA . 34532 1 503 . 1 . 1 46 46 TYR CB C 13 40.657 0.400 . 1 . . . . A 145 TYR CB . 34532 1 504 . 1 . 1 46 46 TYR CD1 C 13 131.083 0.400 . 3 . . . . A 145 TYR CD1 . 34532 1 505 . 1 . 1 46 46 TYR CE1 C 13 115.518 0.400 . 3 . . . . A 145 TYR CE1 . 34532 1 506 . 1 . 1 46 46 TYR N N 15 119.699 0.400 . 1 . . . . A 145 TYR N . 34532 1 507 . 1 . 1 47 47 ARG H H 1 8.953 0.020 . 1 . . . . A 146 ARG H . 34532 1 508 . 1 . 1 47 47 ARG HA H 1 4.737 0.020 . 1 . . . . A 146 ARG HA . 34532 1 509 . 1 . 1 47 47 ARG HB2 H 1 0.759 0.020 . 2 . . . . A 146 ARG HB2 . 34532 1 510 . 1 . 1 47 47 ARG HB3 H 1 1.172 0.020 . 2 . . . . A 146 ARG HB3 . 34532 1 511 . 1 . 1 47 47 ARG HG2 H 1 1.150 0.020 . 2 . . . . A 146 ARG HG2 . 34532 1 512 . 1 . 1 47 47 ARG HG3 H 1 1.236 0.020 . 2 . . . . A 146 ARG HG3 . 34532 1 513 . 1 . 1 47 47 ARG HD2 H 1 2.080 0.020 . 2 . . . . A 146 ARG HD2 . 34532 1 514 . 1 . 1 47 47 ARG HD3 H 1 2.658 0.020 . 2 . . . . A 146 ARG HD3 . 34532 1 515 . 1 . 1 47 47 ARG C C 13 172.085 0.400 . 1 . . . . A 146 ARG C . 34532 1 516 . 1 . 1 47 47 ARG CA C 13 53.907 0.400 . 1 . . . . A 146 ARG CA . 34532 1 517 . 1 . 1 47 47 ARG CB C 13 31.559 0.400 . 1 . . . . A 146 ARG CB . 34532 1 518 . 1 . 1 47 47 ARG CG C 13 24.175 0.400 . 1 . . . . A 146 ARG CG . 34532 1 519 . 1 . 1 47 47 ARG CD C 13 41.060 0.400 . 1 . . . . A 146 ARG CD . 34532 1 520 . 1 . 1 47 47 ARG N N 15 121.156 0.400 . 1 . . . . A 146 ARG N . 34532 1 521 . 1 . 1 48 48 LYS H H 1 8.314 0.020 . 1 . . . . A 147 LYS H . 34532 1 522 . 1 . 1 48 48 LYS HA H 1 5.396 0.020 . 1 . . . . A 147 LYS HA . 34532 1 523 . 1 . 1 48 48 LYS HB2 H 1 2.135 0.020 . 2 . . . . A 147 LYS HB2 . 34532 1 524 . 1 . 1 48 48 LYS HB3 H 1 1.852 0.020 . 2 . . . . A 147 LYS HB3 . 34532 1 525 . 1 . 1 48 48 LYS HG2 H 1 1.598 0.020 . 2 . . . . A 147 LYS HG2 . 34532 1 526 . 1 . 1 48 48 LYS HG3 H 1 1.440 0.020 . 2 . . . . A 147 LYS HG3 . 34532 1 527 . 1 . 1 48 48 LYS HD2 H 1 2.023 0.020 . 2 . . . . A 147 LYS HD2 . 34532 1 528 . 1 . 1 48 48 LYS HD3 H 1 1.669 0.020 . 2 . . . . A 147 LYS HD3 . 34532 1 529 . 1 . 1 48 48 LYS HE2 H 1 2.758 0.020 . 2 . . . . A 147 LYS HE2 . 34532 1 530 . 1 . 1 48 48 LYS HE3 H 1 2.686 0.020 . 2 . . . . A 147 LYS HE3 . 34532 1 531 . 1 . 1 48 48 LYS C C 13 173.296 0.400 . 1 . . . . A 147 LYS C . 34532 1 532 . 1 . 1 48 48 LYS CA C 13 53.006 0.400 . 1 . . . . A 147 LYS CA . 34532 1 533 . 1 . 1 48 48 LYS CB C 13 35.787 0.400 . 1 . . . . A 147 LYS CB . 34532 1 534 . 1 . 1 48 48 LYS CG C 13 24.679 0.400 . 1 . . . . A 147 LYS CG . 34532 1 535 . 1 . 1 48 48 LYS CD C 13 27.901 0.400 . 1 . . . . A 147 LYS CD . 34532 1 536 . 1 . 1 48 48 LYS CE C 13 40.470 0.400 . 1 . . . . A 147 LYS CE . 34532 1 537 . 1 . 1 48 48 LYS N N 15 123.807 0.400 . 1 . . . . A 147 LYS N . 34532 1 538 . 1 . 1 49 49 SER H H 1 8.449 0.020 . 1 . . . . A 148 SER H . 34532 1 539 . 1 . 1 49 49 SER HA H 1 4.873 0.020 . 1 . . . . A 148 SER HA . 34532 1 540 . 1 . 1 49 49 SER HB2 H 1 4.094 0.020 . 2 . . . . A 148 SER HB2 . 34532 1 541 . 1 . 1 49 49 SER C C 13 172.258 0.400 . 1 . . . . A 148 SER C . 34532 1 542 . 1 . 1 49 49 SER CA C 13 56.034 0.400 . 1 . . . . A 148 SER CA . 34532 1 543 . 1 . 1 49 49 SER CB C 13 63.577 0.400 . 1 . . . . A 148 SER CB . 34532 1 544 . 1 . 1 49 49 SER N N 15 112.824 0.400 . 1 . . . . A 148 SER N . 34532 1 545 . 1 . 1 50 50 CYS H H 1 8.361 0.020 . 1 . . . . A 149 CYS H . 34532 1 546 . 1 . 1 50 50 CYS HA H 1 5.158 0.020 . 1 . . . . A 149 CYS HA . 34532 1 547 . 1 . 1 50 50 CYS HB2 H 1 3.163 0.020 . 1 . . . . A 149 CYS HB2 . 34532 1 548 . 1 . 1 50 50 CYS HB3 H 1 2.808 0.020 . 1 . . . . A 149 CYS HB3 . 34532 1 549 . 1 . 1 50 50 CYS C C 13 172.802 0.400 . 1 . . . . A 149 CYS C . 34532 1 550 . 1 . 1 50 50 CYS CA C 13 55.746 0.400 . 1 . . . . A 149 CYS CA . 34532 1 551 . 1 . 1 50 50 CYS CB C 13 42.306 0.400 . 1 . . . . A 149 CYS CB . 34532 1 552 . 1 . 1 50 50 CYS N N 15 118.792 0.400 . 1 . . . . A 149 CYS N . 34532 1 553 . 1 . 1 51 51 ALA H H 1 9.213 0.020 . 1 . . . . A 150 ALA H . 34532 1 554 . 1 . 1 51 51 ALA HA H 1 4.865 0.020 . 1 . . . . A 150 ALA HA . 34532 1 555 . 1 . 1 51 51 ALA HB1 H 1 1.341 0.020 . 1 . . . . A 150 ALA HB1 . 34532 1 556 . 1 . 1 51 51 ALA HB2 H 1 1.341 0.020 . 1 . . . . A 150 ALA HB2 . 34532 1 557 . 1 . 1 51 51 ALA HB3 H 1 1.341 0.020 . 1 . . . . A 150 ALA HB3 . 34532 1 558 . 1 . 1 51 51 ALA CA C 13 49.227 0.400 . 1 . . . . A 150 ALA CA . 34532 1 559 . 1 . 1 51 51 ALA CB C 13 21.558 0.400 . 1 . . . . A 150 ALA CB . 34532 1 560 . 1 . 1 51 51 ALA N N 15 124.445 0.400 . 1 . . . . A 150 ALA N . 34532 1 561 . 1 . 1 52 52 SER H H 1 8.400 0.020 . 1 . . . . A 151 SER H . 34532 1 562 . 1 . 1 52 52 SER HA H 1 5.202 0.020 . 1 . . . . A 151 SER HA . 34532 1 563 . 1 . 1 52 52 SER HB2 H 1 4.317 0.020 . 2 . . . . A 151 SER HB2 . 34532 1 564 . 1 . 1 52 52 SER HB3 H 1 4.098 0.020 . 2 . . . . A 151 SER HB3 . 34532 1 565 . 1 . 1 52 52 SER C C 13 173.449 0.400 . 1 . . . . A 151 SER C . 34532 1 566 . 1 . 1 52 52 SER CA C 13 54.329 0.400 . 1 . . . . A 151 SER CA . 34532 1 567 . 1 . 1 52 52 SER CB C 13 62.936 0.400 . 1 . . . . A 151 SER CB . 34532 1 568 . 1 . 1 52 52 SER N N 15 114.124 0.400 . 1 . . . . A 151 SER N . 34532 1 569 . 1 . 1 53 53 SER H H 1 9.921 0.020 . 1 . . . . A 152 SER H . 34532 1 570 . 1 . 1 53 53 SER HA H 1 4.333 0.020 . 1 . . . . A 152 SER HA . 34532 1 571 . 1 . 1 53 53 SER HB2 H 1 4.061 0.020 . 2 . . . . A 152 SER HB2 . 34532 1 572 . 1 . 1 53 53 SER HB3 H 1 4.061 0.020 . 2 . . . . A 152 SER HB3 . 34532 1 573 . 1 . 1 53 53 SER C C 13 173.691 0.400 . 1 . . . . A 152 SER C . 34532 1 574 . 1 . 1 53 53 SER CA C 13 59.808 0.400 . 1 . . . . A 152 SER CA . 34532 1 575 . 1 . 1 53 53 SER CB C 13 60.159 0.400 . 1 . . . . A 152 SER CB . 34532 1 576 . 1 . 1 53 53 SER N N 15 122.659 0.400 . 1 . . . . A 152 SER N . 34532 1 577 . 1 . 1 54 54 ALA H H 1 8.393 0.020 . 1 . . . . A 153 ALA H . 34532 1 578 . 1 . 1 54 54 ALA HA H 1 4.197 0.020 . 1 . . . . A 153 ALA HA . 34532 1 579 . 1 . 1 54 54 ALA HB1 H 1 1.521 0.020 . 1 . . . . A 153 ALA HB1 . 34532 1 580 . 1 . 1 54 54 ALA HB2 H 1 1.521 0.020 . 1 . . . . A 153 ALA HB2 . 34532 1 581 . 1 . 1 54 54 ALA HB3 H 1 1.521 0.020 . 1 . . . . A 153 ALA HB3 . 34532 1 582 . 1 . 1 54 54 ALA C C 13 177.141 0.400 . 1 . . . . A 153 ALA C . 34532 1 583 . 1 . 1 54 54 ALA CA C 13 52.680 0.400 . 1 . . . . A 153 ALA CA . 34532 1 584 . 1 . 1 54 54 ALA CB C 13 15.716 0.400 . 1 . . . . A 153 ALA CB . 34532 1 585 . 1 . 1 54 54 ALA N N 15 121.888 0.400 . 1 . . . . A 153 ALA N . 34532 1 586 . 1 . 1 55 55 ALA H H 1 7.490 0.020 . 1 . . . . A 154 ALA H . 34532 1 587 . 1 . 1 55 55 ALA HA H 1 4.277 0.020 . 1 . . . . A 154 ALA HA . 34532 1 588 . 1 . 1 55 55 ALA HB1 H 1 1.638 0.020 . 1 . . . . A 154 ALA HB1 . 34532 1 589 . 1 . 1 55 55 ALA HB2 H 1 1.638 0.020 . 1 . . . . A 154 ALA HB2 . 34532 1 590 . 1 . 1 55 55 ALA HB3 H 1 1.638 0.020 . 1 . . . . A 154 ALA HB3 . 34532 1 591 . 1 . 1 55 55 ALA C C 13 177.897 0.400 . 1 . . . . A 154 ALA C . 34532 1 592 . 1 . 1 55 55 ALA CA C 13 52.007 0.400 . 1 . . . . A 154 ALA CA . 34532 1 593 . 1 . 1 55 55 ALA CB C 13 16.591 0.400 . 1 . . . . A 154 ALA CB . 34532 1 594 . 1 . 1 55 55 ALA N N 15 118.529 0.400 . 1 . . . . A 154 ALA N . 34532 1 595 . 1 . 1 56 56 CYS H H 1 8.502 0.020 . 1 . . . . A 155 CYS H . 34532 1 596 . 1 . 1 56 56 CYS HA H 1 4.266 0.020 . 1 . . . . A 155 CYS HA . 34532 1 597 . 1 . 1 56 56 CYS HB2 H 1 3.171 0.020 . 2 . . . . A 155 CYS HB2 . 34532 1 598 . 1 . 1 56 56 CYS HB3 H 1 3.171 0.020 . 2 . . . . A 155 CYS HB3 . 34532 1 599 . 1 . 1 56 56 CYS C C 13 174.601 0.400 . 1 . . . . A 155 CYS C . 34532 1 600 . 1 . 1 56 56 CYS CA C 13 58.871 0.400 . 1 . . . . A 155 CYS CA . 34532 1 601 . 1 . 1 56 56 CYS CB C 13 39.893 0.400 . 1 . . . . A 155 CYS CB . 34532 1 602 . 1 . 1 56 56 CYS N N 15 118.660 0.400 . 1 . . . . A 155 CYS N . 34532 1 603 . 1 . 1 57 57 LEU H H 1 8.422 0.020 . 1 . . . . A 156 LEU H . 34532 1 604 . 1 . 1 57 57 LEU HA H 1 4.189 0.020 . 1 . . . . A 156 LEU HA . 34532 1 605 . 1 . 1 57 57 LEU HB2 H 1 1.994 0.020 . 2 . . . . A 156 LEU HB2 . 34532 1 606 . 1 . 1 57 57 LEU HB3 H 1 1.646 0.020 . 2 . . . . A 156 LEU HB3 . 34532 1 607 . 1 . 1 57 57 LEU HG H 1 1.954 0.020 . 1 . . . . A 156 LEU HG . 34532 1 608 . 1 . 1 57 57 LEU HD11 H 1 0.985 0.020 . 2 . . . . A 156 LEU HD11 . 34532 1 609 . 1 . 1 57 57 LEU HD12 H 1 0.985 0.020 . 2 . . . . A 156 LEU HD12 . 34532 1 610 . 1 . 1 57 57 LEU HD13 H 1 0.985 0.020 . 2 . . . . A 156 LEU HD13 . 34532 1 611 . 1 . 1 57 57 LEU HD21 H 1 0.985 0.020 . 2 . . . . A 156 LEU HD21 . 34532 1 612 . 1 . 1 57 57 LEU HD22 H 1 0.985 0.020 . 2 . . . . A 156 LEU HD22 . 34532 1 613 . 1 . 1 57 57 LEU HD23 H 1 0.985 0.020 . 2 . . . . A 156 LEU HD23 . 34532 1 614 . 1 . 1 57 57 LEU C C 13 177.817 0.400 . 1 . . . . A 156 LEU C . 34532 1 615 . 1 . 1 57 57 LEU CA C 13 55.681 0.400 . 1 . . . . A 156 LEU CA . 34532 1 616 . 1 . 1 57 57 LEU CB C 13 38.758 0.400 . 1 . . . . A 156 LEU CB . 34532 1 617 . 1 . 1 57 57 LEU CG C 13 24.780 0.400 . 1 . . . . A 156 LEU CG . 34532 1 618 . 1 . 1 57 57 LEU CD1 C 13 22.331 0.400 . 2 . . . . A 156 LEU CD1 . 34532 1 619 . 1 . 1 57 57 LEU CD2 C 13 20.451 0.400 . 2 . . . . A 156 LEU CD2 . 34532 1 620 . 1 . 1 57 57 LEU N N 15 120.354 0.400 . 1 . . . . A 156 LEU N . 34532 1 621 . 1 . 1 58 58 ILE H H 1 7.697 0.020 . 1 . . . . A 157 ILE H . 34532 1 622 . 1 . 1 58 58 ILE HA H 1 4.036 0.020 . 1 . . . . A 157 ILE HA . 34532 1 623 . 1 . 1 58 58 ILE HB H 1 2.021 0.020 . 1 . . . . A 157 ILE HB . 34532 1 624 . 1 . 1 58 58 ILE HG12 H 1 1.780 0.020 . 2 . . . . A 157 ILE HG12 . 34532 1 625 . 1 . 1 58 58 ILE HG13 H 1 1.340 0.020 . 2 . . . . A 157 ILE HG13 . 34532 1 626 . 1 . 1 58 58 ILE HG21 H 1 1.043 0.020 . 1 . . . . A 157 ILE HG21 . 34532 1 627 . 1 . 1 58 58 ILE HG22 H 1 1.043 0.020 . 1 . . . . A 157 ILE HG22 . 34532 1 628 . 1 . 1 58 58 ILE HG23 H 1 1.043 0.020 . 1 . . . . A 157 ILE HG23 . 34532 1 629 . 1 . 1 58 58 ILE HD11 H 1 0.957 0.020 . 1 . . . . A 157 ILE HD11 . 34532 1 630 . 1 . 1 58 58 ILE HD12 H 1 0.957 0.020 . 1 . . . . A 157 ILE HD12 . 34532 1 631 . 1 . 1 58 58 ILE HD13 H 1 0.957 0.020 . 1 . . . . A 157 ILE HD13 . 34532 1 632 . 1 . 1 58 58 ILE C C 13 175.927 0.400 . 1 . . . . A 157 ILE C . 34532 1 633 . 1 . 1 58 58 ILE CA C 13 61.604 0.400 . 1 . . . . A 157 ILE CA . 34532 1 634 . 1 . 1 58 58 ILE CB C 13 35.631 0.400 . 1 . . . . A 157 ILE CB . 34532 1 635 . 1 . 1 58 58 ILE CG1 C 13 26.647 0.400 . 1 . . . . A 157 ILE CG1 . 34532 1 636 . 1 . 1 58 58 ILE CG2 C 13 14.910 0.400 . 1 . . . . A 157 ILE CG2 . 34532 1 637 . 1 . 1 58 58 ILE CD1 C 13 10.446 0.400 . 1 . . . . A 157 ILE CD1 . 34532 1 638 . 1 . 1 58 58 ILE N N 15 119.643 0.400 . 1 . . . . A 157 ILE N . 34532 1 639 . 1 . 1 59 59 ALA H H 1 7.937 0.020 . 1 . . . . A 158 ALA H . 34532 1 640 . 1 . 1 59 59 ALA HA H 1 4.282 0.020 . 1 . . . . A 158 ALA HA . 34532 1 641 . 1 . 1 59 59 ALA HB1 H 1 1.580 0.020 . 1 . . . . A 158 ALA HB1 . 34532 1 642 . 1 . 1 59 59 ALA HB2 H 1 1.580 0.020 . 1 . . . . A 158 ALA HB2 . 34532 1 643 . 1 . 1 59 59 ALA HB3 H 1 1.580 0.020 . 1 . . . . A 158 ALA HB3 . 34532 1 644 . 1 . 1 59 59 ALA C C 13 176.608 0.400 . 1 . . . . A 158 ALA C . 34532 1 645 . 1 . 1 59 59 ALA CA C 13 52.464 0.400 . 1 . . . . A 158 ALA CA . 34532 1 646 . 1 . 1 59 59 ALA CB C 13 15.627 0.400 . 1 . . . . A 158 ALA CB . 34532 1 647 . 1 . 1 59 59 ALA N N 15 124.789 0.400 . 1 . . . . A 158 ALA N . 34532 1 648 . 1 . 1 60 60 SER H H 1 8.677 0.020 . 1 . . . . A 159 SER H . 34532 1 649 . 1 . 1 60 60 SER HA H 1 4.285 0.020 . 1 . . . . A 159 SER HA . 34532 1 650 . 1 . 1 60 60 SER HB2 H 1 4.144 0.020 . 2 . . . . A 159 SER HB2 . 34532 1 651 . 1 . 1 60 60 SER HB3 H 1 4.054 0.020 . 2 . . . . A 159 SER HB3 . 34532 1 652 . 1 . 1 60 60 SER C C 13 174.527 0.400 . 1 . . . . A 159 SER C . 34532 1 653 . 1 . 1 60 60 SER CA C 13 58.402 0.400 . 1 . . . . A 159 SER CA . 34532 1 654 . 1 . 1 60 60 SER CB C 13 61.237 0.400 . 1 . . . . A 159 SER CB . 34532 1 655 . 1 . 1 60 60 SER N N 15 111.608 0.400 . 1 . . . . A 159 SER N . 34532 1 656 . 1 . 1 61 61 ALA H H 1 7.954 0.020 . 1 . . . . A 160 ALA H . 34532 1 657 . 1 . 1 61 61 ALA HA H 1 4.426 0.020 . 1 . . . . A 160 ALA HA . 34532 1 658 . 1 . 1 61 61 ALA HB1 H 1 1.630 0.020 . 1 . . . . A 160 ALA HB1 . 34532 1 659 . 1 . 1 61 61 ALA HB2 H 1 1.630 0.020 . 1 . . . . A 160 ALA HB2 . 34532 1 660 . 1 . 1 61 61 ALA HB3 H 1 1.630 0.020 . 1 . . . . A 160 ALA HB3 . 34532 1 661 . 1 . 1 61 61 ALA C C 13 177.711 0.400 . 1 . . . . A 160 ALA C . 34532 1 662 . 1 . 1 61 61 ALA CA C 13 51.921 0.400 . 1 . . . . A 160 ALA CA . 34532 1 663 . 1 . 1 61 61 ALA CB C 13 15.947 0.400 . 1 . . . . A 160 ALA CB . 34532 1 664 . 1 . 1 61 61 ALA N N 15 122.474 0.400 . 1 . . . . A 160 ALA N . 34532 1 665 . 1 . 1 62 62 GLY H H 1 8.294 0.020 . 1 . . . . A 161 GLY H . 34532 1 666 . 1 . 1 62 62 GLY HA2 H 1 4.011 0.020 . 2 . . . . A 161 GLY HA2 . 34532 1 667 . 1 . 1 62 62 GLY HA3 H 1 4.011 0.020 . 2 . . . . A 161 GLY HA3 . 34532 1 668 . 1 . 1 62 62 GLY C C 13 172.507 0.400 . 1 . . . . A 161 GLY C . 34532 1 669 . 1 . 1 62 62 GLY CA C 13 43.917 0.400 . 1 . . . . A 161 GLY CA . 34532 1 670 . 1 . 1 62 62 GLY N N 15 106.138 0.400 . 1 . . . . A 161 GLY N . 34532 1 671 . 1 . 1 63 63 TYR H H 1 7.990 0.020 . 1 . . . . A 162 TYR H . 34532 1 672 . 1 . 1 63 63 TYR HA H 1 4.816 0.020 . 1 . . . . A 162 TYR HA . 34532 1 673 . 1 . 1 63 63 TYR HB2 H 1 3.054 0.020 . 1 . . . . A 162 TYR HB2 . 34532 1 674 . 1 . 1 63 63 TYR HB3 H 1 3.498 0.020 . 1 . . . . A 162 TYR HB3 . 34532 1 675 . 1 . 1 63 63 TYR HD1 H 1 7.251 0.020 . 1 . . . . A 162 TYR HD1 . 34532 1 676 . 1 . 1 63 63 TYR HD2 H 1 7.251 0.020 . 1 . . . . A 162 TYR HD2 . 34532 1 677 . 1 . 1 63 63 TYR HE1 H 1 6.805 0.020 . 1 . . . . A 162 TYR HE1 . 34532 1 678 . 1 . 1 63 63 TYR HE2 H 1 6.805 0.020 . 1 . . . . A 162 TYR HE2 . 34532 1 679 . 1 . 1 63 63 TYR C C 13 174.568 0.400 . 1 . . . . A 162 TYR C . 34532 1 680 . 1 . 1 63 63 TYR CA C 13 56.349 0.400 . 1 . . . . A 162 TYR CA . 34532 1 681 . 1 . 1 63 63 TYR CB C 13 36.137 0.400 . 1 . . . . A 162 TYR CB . 34532 1 682 . 1 . 1 63 63 TYR CD1 C 13 130.310 0.400 . 3 . . . . A 162 TYR CD1 . 34532 1 683 . 1 . 1 63 63 TYR CE1 C 13 115.552 0.400 . 3 . . . . A 162 TYR CE1 . 34532 1 684 . 1 . 1 63 63 TYR N N 15 118.426 0.400 . 1 . . . . A 162 TYR N . 34532 1 685 . 1 . 1 64 64 GLN H H 1 7.893 0.020 . 1 . . . . A 163 GLN H . 34532 1 686 . 1 . 1 64 64 GLN C C 13 172.789 0.400 . 1 . . . . A 163 GLN C . 34532 1 687 . 1 . 1 64 64 GLN CA C 13 56.574 0.400 . 1 . . . . A 163 GLN CA . 34532 1 688 . 1 . 1 64 64 GLN N N 15 121.601 0.400 . 1 . . . . A 163 GLN N . 34532 1 689 . 1 . 1 66 66 PHE C C 13 172.789 0.400 . 1 . . . . A 165 PHE C . 34532 1 690 . 1 . 1 66 66 PHE CA C 13 54.671 0.400 . 1 . . . . A 165 PHE CA . 34532 1 691 . 1 . 1 67 67 CYS H H 1 7.881 0.020 . 1 . . . . A 166 CYS H . 34532 1 692 . 1 . 1 67 67 CYS HA H 1 4.890 0.020 . 1 . . . . A 166 CYS HA . 34532 1 693 . 1 . 1 67 67 CYS HB2 H 1 3.086 0.020 . 2 . . . . A 166 CYS HB2 . 34532 1 694 . 1 . 1 67 67 CYS HB3 H 1 3.810 0.020 . 2 . . . . A 166 CYS HB3 . 34532 1 695 . 1 . 1 67 67 CYS C C 13 171.739 0.400 . 1 . . . . A 166 CYS C . 34532 1 696 . 1 . 1 67 67 CYS CA C 13 53.061 0.400 . 1 . . . . A 166 CYS CA . 34532 1 697 . 1 . 1 67 67 CYS CB C 13 35.397 0.400 . 1 . . . . A 166 CYS CB . 34532 1 698 . 1 . 1 67 67 CYS N N 15 121.215 0.400 . 1 . . . . A 166 CYS N . 34532 1 699 . 1 . 1 68 68 SER H H 1 9.452 0.020 . 1 . . . . A 167 SER H . 34532 1 700 . 1 . 1 68 68 SER HA H 1 4.705 0.020 . 1 . . . . A 167 SER HA . 34532 1 701 . 1 . 1 68 68 SER HB2 H 1 3.968 0.020 . 2 . . . . A 167 SER HB2 . 34532 1 702 . 1 . 1 68 68 SER HB3 H 1 3.750 0.020 . 2 . . . . A 167 SER HB3 . 34532 1 703 . 1 . 1 68 68 SER CA C 13 52.646 0.400 . 1 . . . . A 167 SER CA . 34532 1 704 . 1 . 1 68 68 SER CB C 13 61.157 0.400 . 1 . . . . A 167 SER CB . 34532 1 705 . 1 . 1 68 68 SER N N 15 126.142 0.400 . 1 . . . . A 167 SER N . 34532 1 706 . 1 . 1 69 69 PRO HA H 1 4.372 0.020 . 1 . . . . A 168 PRO HA . 34532 1 707 . 1 . 1 69 69 PRO HB2 H 1 2.374 0.020 . 2 . . . . A 168 PRO HB2 . 34532 1 708 . 1 . 1 69 69 PRO HB3 H 1 1.936 0.020 . 2 . . . . A 168 PRO HB3 . 34532 1 709 . 1 . 1 69 69 PRO HG2 H 1 2.156 0.020 . 2 . . . . A 168 PRO HG2 . 34532 1 710 . 1 . 1 69 69 PRO HG3 H 1 2.156 0.020 . 2 . . . . A 168 PRO HG3 . 34532 1 711 . 1 . 1 69 69 PRO HD2 H 1 3.787 0.020 . 2 . . . . A 168 PRO HD2 . 34532 1 712 . 1 . 1 69 69 PRO HD3 H 1 3.689 0.020 . 2 . . . . A 168 PRO HD3 . 34532 1 713 . 1 . 1 69 69 PRO C C 13 175.544 0.400 . 1 . . . . A 168 PRO C . 34532 1 714 . 1 . 1 69 69 PRO CA C 13 61.688 0.400 . 1 . . . . A 168 PRO CA . 34532 1 715 . 1 . 1 69 69 PRO CB C 13 29.280 0.400 . 1 . . . . A 168 PRO CB . 34532 1 716 . 1 . 1 69 69 PRO CG C 13 25.155 0.400 . 1 . . . . A 168 PRO CG . 34532 1 717 . 1 . 1 69 69 PRO CD C 13 47.496 0.400 . 1 . . . . A 168 PRO CD . 34532 1 718 . 1 . 1 70 70 GLY H H 1 9.899 0.020 . 1 . . . . A 169 GLY H . 34532 1 719 . 1 . 1 70 70 GLY HA2 H 1 4.368 0.020 . 2 . . . . A 169 GLY HA2 . 34532 1 720 . 1 . 1 70 70 GLY HA3 H 1 4.368 0.020 . 2 . . . . A 169 GLY HA3 . 34532 1 721 . 1 . 1 70 70 GLY C C 13 171.739 0.400 . 1 . . . . A 169 GLY C . 34532 1 722 . 1 . 1 70 70 GLY CA C 13 42.466 0.400 . 1 . . . . A 169 GLY CA . 34532 1 723 . 1 . 1 70 70 GLY N N 15 115.338 0.400 . 1 . . . . A 169 GLY N . 34532 1 724 . 1 . 1 71 71 LYS H H 1 8.111 0.020 . 1 . . . . A 170 LYS H . 34532 1 725 . 1 . 1 71 71 LYS HA H 1 4.601 0.020 . 1 . . . . A 170 LYS HA . 34532 1 726 . 1 . 1 71 71 LYS HB2 H 1 1.985 0.020 . 2 . . . . A 170 LYS HB2 . 34532 1 727 . 1 . 1 71 71 LYS HB3 H 1 1.985 0.020 . 2 . . . . A 170 LYS HB3 . 34532 1 728 . 1 . 1 71 71 LYS HG2 H 1 1.528 0.020 . 2 . . . . A 170 LYS HG2 . 34532 1 729 . 1 . 1 71 71 LYS HG3 H 1 1.528 0.020 . 2 . . . . A 170 LYS HG3 . 34532 1 730 . 1 . 1 71 71 LYS HD2 H 1 1.773 0.020 . 2 . . . . A 170 LYS HD2 . 34532 1 731 . 1 . 1 71 71 LYS HD3 H 1 1.773 0.020 . 2 . . . . A 170 LYS HD3 . 34532 1 732 . 1 . 1 71 71 LYS HE2 H 1 3.103 0.020 . 2 . . . . A 170 LYS HE2 . 34532 1 733 . 1 . 1 71 71 LYS HE3 H 1 3.103 0.020 . 2 . . . . A 170 LYS HE3 . 34532 1 734 . 1 . 1 71 71 LYS C C 13 172.579 0.400 . 1 . . . . A 170 LYS C . 34532 1 735 . 1 . 1 71 71 LYS CA C 13 52.104 0.400 . 1 . . . . A 170 LYS CA . 34532 1 736 . 1 . 1 71 71 LYS CB C 13 31.372 0.400 . 1 . . . . A 170 LYS CB . 34532 1 737 . 1 . 1 71 71 LYS CG C 13 22.454 0.400 . 1 . . . . A 170 LYS CG . 34532 1 738 . 1 . 1 71 71 LYS CD C 13 26.483 0.400 . 1 . . . . A 170 LYS CD . 34532 1 739 . 1 . 1 71 71 LYS CE C 13 39.850 0.400 . 1 . . . . A 170 LYS CE . 34532 1 740 . 1 . 1 71 71 LYS N N 15 121.937 0.400 . 1 . . . . A 170 LYS N . 34532 1 741 . 1 . 1 72 72 LEU H H 1 8.110 0.020 . 1 . . . . A 171 LEU H . 34532 1 742 . 1 . 1 72 72 LEU HA H 1 3.886 0.020 . 1 . . . . A 171 LEU HA . 34532 1 743 . 1 . 1 72 72 LEU HB2 H 1 1.564 0.020 . 1 . . . . A 171 LEU HB2 . 34532 1 744 . 1 . 1 72 72 LEU HB3 H 1 1.663 0.020 . 1 . . . . A 171 LEU HB3 . 34532 1 745 . 1 . 1 72 72 LEU HG H 1 1.705 0.020 . 1 . . . . A 171 LEU HG . 34532 1 746 . 1 . 1 72 72 LEU HD11 H 1 0.906 0.020 . 2 . . . . A 171 LEU HD11 . 34532 1 747 . 1 . 1 72 72 LEU HD12 H 1 0.906 0.020 . 2 . . . . A 171 LEU HD12 . 34532 1 748 . 1 . 1 72 72 LEU HD13 H 1 0.906 0.020 . 2 . . . . A 171 LEU HD13 . 34532 1 749 . 1 . 1 72 72 LEU HD21 H 1 0.906 0.020 . 2 . . . . A 171 LEU HD21 . 34532 1 750 . 1 . 1 72 72 LEU HD22 H 1 0.906 0.020 . 2 . . . . A 171 LEU HD22 . 34532 1 751 . 1 . 1 72 72 LEU HD23 H 1 0.906 0.020 . 2 . . . . A 171 LEU HD23 . 34532 1 752 . 1 . 1 72 72 LEU C C 13 175.146 0.400 . 1 . . . . A 171 LEU C . 34532 1 753 . 1 . 1 72 72 LEU CA C 13 54.224 0.400 . 1 . . . . A 171 LEU CA . 34532 1 754 . 1 . 1 72 72 LEU CB C 13 39.247 0.400 . 1 . . . . A 171 LEU CB . 34532 1 755 . 1 . 1 72 72 LEU CG C 13 24.161 0.400 . 1 . . . . A 171 LEU CG . 34532 1 756 . 1 . 1 72 72 LEU CD1 C 13 21.485 0.400 . 2 . . . . A 171 LEU CD1 . 34532 1 757 . 1 . 1 72 72 LEU CD2 C 13 21.741 0.400 . 2 . . . . A 171 LEU CD2 . 34532 1 758 . 1 . 1 72 72 LEU N N 15 122.875 0.400 . 1 . . . . A 171 LEU N . 34532 1 759 . 1 . 1 73 73 ASN H H 1 8.587 0.020 . 1 . . . . A 172 ASN H . 34532 1 760 . 1 . 1 73 73 ASN HA H 1 4.478 0.020 . 1 . . . . A 172 ASN HA . 34532 1 761 . 1 . 1 73 73 ASN HB2 H 1 3.342 0.020 . 2 . . . . A 172 ASN HB2 . 34532 1 762 . 1 . 1 73 73 ASN HB3 H 1 3.104 0.020 . 2 . . . . A 172 ASN HB3 . 34532 1 763 . 1 . 1 73 73 ASN HD21 H 1 7.514 0.020 . 2 . . . . A 172 ASN HD21 . 34532 1 764 . 1 . 1 73 73 ASN HD22 H 1 6.855 0.020 . 2 . . . . A 172 ASN HD22 . 34532 1 765 . 1 . 1 73 73 ASN C C 13 171.840 0.400 . 1 . . . . A 172 ASN C . 34532 1 766 . 1 . 1 73 73 ASN CA C 13 52.665 0.400 . 1 . . . . A 172 ASN CA . 34532 1 767 . 1 . 1 73 73 ASN CB C 13 34.668 0.400 . 1 . . . . A 172 ASN CB . 34532 1 768 . 1 . 1 73 73 ASN N N 15 116.300 0.400 . 1 . . . . A 172 ASN N . 34532 1 769 . 1 . 1 73 73 ASN ND2 N 15 112.127 0.400 . 1 . . . . A 172 ASN ND2 . 34532 1 770 . 1 . 1 74 74 SER H H 1 7.953 0.020 . 1 . . . . A 173 SER H . 34532 1 771 . 1 . 1 74 74 SER HA H 1 4.662 0.020 . 1 . . . . A 173 SER HA . 34532 1 772 . 1 . 1 74 74 SER HB2 H 1 4.148 0.020 . 2 . . . . A 173 SER HB2 . 34532 1 773 . 1 . 1 74 74 SER HB3 H 1 3.885 0.020 . 2 . . . . A 173 SER HB3 . 34532 1 774 . 1 . 1 74 74 SER C C 13 172.345 0.400 . 1 . . . . A 173 SER C . 34532 1 775 . 1 . 1 74 74 SER CA C 13 56.176 0.400 . 1 . . . . A 173 SER CA . 34532 1 776 . 1 . 1 74 74 SER CB C 13 61.010 0.400 . 1 . . . . A 173 SER CB . 34532 1 777 . 1 . 1 74 74 SER N N 15 113.928 0.400 . 1 . . . . A 173 SER N . 34532 1 778 . 1 . 1 75 75 VAL H H 1 8.120 0.020 . 1 . . . . A 174 VAL H . 34532 1 779 . 1 . 1 75 75 VAL HA H 1 4.927 0.020 . 1 . . . . A 174 VAL HA . 34532 1 780 . 1 . 1 75 75 VAL HB H 1 2.050 0.020 . 1 . . . . A 174 VAL HB . 34532 1 781 . 1 . 1 75 75 VAL HG11 H 1 0.816 0.020 . 1 . . . . A 174 VAL HG11 . 34532 1 782 . 1 . 1 75 75 VAL HG12 H 1 0.816 0.020 . 1 . . . . A 174 VAL HG12 . 34532 1 783 . 1 . 1 75 75 VAL HG13 H 1 0.816 0.020 . 1 . . . . A 174 VAL HG13 . 34532 1 784 . 1 . 1 75 75 VAL HG21 H 1 0.989 0.020 . 1 . . . . A 174 VAL HG21 . 34532 1 785 . 1 . 1 75 75 VAL HG22 H 1 0.989 0.020 . 1 . . . . A 174 VAL HG22 . 34532 1 786 . 1 . 1 75 75 VAL HG23 H 1 0.989 0.020 . 1 . . . . A 174 VAL HG23 . 34532 1 787 . 1 . 1 75 75 VAL C C 13 171.628 0.400 . 1 . . . . A 174 VAL C . 34532 1 788 . 1 . 1 75 75 VAL CA C 13 59.551 0.400 . 1 . . . . A 174 VAL CA . 34532 1 789 . 1 . 1 75 75 VAL CB C 13 32.264 0.400 . 1 . . . . A 174 VAL CB . 34532 1 790 . 1 . 1 75 75 VAL CG1 C 13 18.322 0.400 . 2 . . . . A 174 VAL CG1 . 34532 1 791 . 1 . 1 75 75 VAL CG2 C 13 18.789 0.400 . 2 . . . . A 174 VAL CG2 . 34532 1 792 . 1 . 1 75 75 VAL N N 15 127.979 0.400 . 1 . . . . A 174 VAL N . 34532 1 793 . 1 . 1 76 76 CYS H H 1 8.508 0.020 . 1 . . . . A 175 CYS H . 34532 1 794 . 1 . 1 76 76 CYS HA H 1 5.235 0.020 . 1 . . . . A 175 CYS HA . 34532 1 795 . 1 . 1 76 76 CYS HB2 H 1 3.242 0.020 . 2 . . . . A 175 CYS HB2 . 34532 1 796 . 1 . 1 76 76 CYS HB3 H 1 2.992 0.020 . 2 . . . . A 175 CYS HB3 . 34532 1 797 . 1 . 1 76 76 CYS C C 13 171.981 0.400 . 1 . . . . A 175 CYS C . 34532 1 798 . 1 . 1 76 76 CYS CA C 13 52.154 0.400 . 1 . . . . A 175 CYS CA . 34532 1 799 . 1 . 1 76 76 CYS CB C 13 45.325 0.400 . 1 . . . . A 175 CYS CB . 34532 1 800 . 1 . 1 76 76 CYS N N 15 121.371 0.400 . 1 . . . . A 175 CYS N . 34532 1 801 . 1 . 1 77 77 ILE H H 1 9.188 0.020 . 1 . . . . A 176 ILE H . 34532 1 802 . 1 . 1 77 77 ILE HA H 1 5.354 0.020 . 1 . . . . A 176 ILE HA . 34532 1 803 . 1 . 1 77 77 ILE HB H 1 1.720 0.020 . 1 . . . . A 176 ILE HB . 34532 1 804 . 1 . 1 77 77 ILE HG12 H 1 0.998 0.020 . 2 . . . . A 176 ILE HG12 . 34532 1 805 . 1 . 1 77 77 ILE HG13 H 1 1.567 0.020 . 2 . . . . A 176 ILE HG13 . 34532 1 806 . 1 . 1 77 77 ILE HG21 H 1 0.924 0.020 . 1 . . . . A 176 ILE HG21 . 34532 1 807 . 1 . 1 77 77 ILE HG22 H 1 0.924 0.020 . 1 . . . . A 176 ILE HG22 . 34532 1 808 . 1 . 1 77 77 ILE HG23 H 1 0.924 0.020 . 1 . . . . A 176 ILE HG23 . 34532 1 809 . 1 . 1 77 77 ILE HD11 H 1 0.634 0.020 . 1 . . . . A 176 ILE HD11 . 34532 1 810 . 1 . 1 77 77 ILE HD12 H 1 0.634 0.020 . 1 . . . . A 176 ILE HD12 . 34532 1 811 . 1 . 1 77 77 ILE HD13 H 1 0.634 0.020 . 1 . . . . A 176 ILE HD13 . 34532 1 812 . 1 . 1 77 77 ILE C C 13 172.382 0.400 . 1 . . . . A 176 ILE C . 34532 1 813 . 1 . 1 77 77 ILE CA C 13 57.980 0.400 . 1 . . . . A 176 ILE CA . 34532 1 814 . 1 . 1 77 77 ILE CB C 13 37.993 0.400 . 1 . . . . A 176 ILE CB . 34532 1 815 . 1 . 1 77 77 ILE CG1 C 13 25.757 0.400 . 1 . . . . A 176 ILE CG1 . 34532 1 816 . 1 . 1 77 77 ILE CG2 C 13 14.426 0.400 . 1 . . . . A 176 ILE CG2 . 34532 1 817 . 1 . 1 77 77 ILE CD1 C 13 10.869 0.400 . 1 . . . . A 176 ILE CD1 . 34532 1 818 . 1 . 1 77 77 ILE N N 15 126.580 0.400 . 1 . . . . A 176 ILE N . 34532 1 819 . 1 . 1 78 78 SER H H 1 9.365 0.020 . 1 . . . . A 177 SER H . 34532 1 820 . 1 . 1 78 78 SER HA H 1 5.048 0.020 . 1 . . . . A 177 SER HA . 34532 1 821 . 1 . 1 78 78 SER HB2 H 1 3.925 0.020 . 2 . . . . A 177 SER HB2 . 34532 1 822 . 1 . 1 78 78 SER HB3 H 1 3.925 0.020 . 2 . . . . A 177 SER HB3 . 34532 1 823 . 1 . 1 78 78 SER C C 13 170.442 0.400 . 1 . . . . A 177 SER C . 34532 1 824 . 1 . 1 78 78 SER CA C 13 54.367 0.400 . 1 . . . . A 177 SER CA . 34532 1 825 . 1 . 1 78 78 SER CB C 13 63.810 0.400 . 1 . . . . A 177 SER CB . 34532 1 826 . 1 . 1 78 78 SER N N 15 121.397 0.400 . 1 . . . . A 177 SER N . 34532 1 827 . 1 . 1 79 79 CYS H H 1 8.572 0.020 . 1 . . . . A 178 CYS H . 34532 1 828 . 1 . 1 79 79 CYS HA H 1 5.719 0.020 . 1 . . . . A 178 CYS HA . 34532 1 829 . 1 . 1 79 79 CYS HB2 H 1 2.984 0.020 . 1 . . . . A 178 CYS HB2 . 34532 1 830 . 1 . 1 79 79 CYS HB3 H 1 3.538 0.020 . 1 . . . . A 178 CYS HB3 . 34532 1 831 . 1 . 1 79 79 CYS C C 13 170.961 0.400 . 1 . . . . A 178 CYS C . 34532 1 832 . 1 . 1 79 79 CYS CA C 13 51.448 0.400 . 1 . . . . A 178 CYS CA . 34532 1 833 . 1 . 1 79 79 CYS CB C 13 43.808 0.400 . 1 . . . . A 178 CYS CB . 34532 1 834 . 1 . 1 79 79 CYS N N 15 120.108 0.400 . 1 . . . . A 178 CYS N . 34532 1 835 . 1 . 1 80 80 CYS H H 1 9.353 0.020 . 1 . . . . A 179 CYS H . 34532 1 836 . 1 . 1 80 80 CYS HA H 1 5.249 0.020 . 1 . . . . A 179 CYS HA . 34532 1 837 . 1 . 1 80 80 CYS HB2 H 1 3.727 0.020 . 1 . . . . A 179 CYS HB2 . 34532 1 838 . 1 . 1 80 80 CYS HB3 H 1 3.422 0.020 . 1 . . . . A 179 CYS HB3 . 34532 1 839 . 1 . 1 80 80 CYS C C 13 170.945 0.400 . 1 . . . . A 179 CYS C . 34532 1 840 . 1 . 1 80 80 CYS CA C 13 52.333 0.400 . 1 . . . . A 179 CYS CA . 34532 1 841 . 1 . 1 80 80 CYS CB C 13 43.552 0.400 . 1 . . . . A 179 CYS CB . 34532 1 842 . 1 . 1 80 80 CYS N N 15 119.977 0.400 . 1 . . . . A 179 CYS N . 34532 1 843 . 1 . 1 81 81 ASN H H 1 8.696 0.020 . 1 . . . . A 180 ASN H . 34532 1 844 . 1 . 1 81 81 ASN HA H 1 5.207 0.020 . 1 . . . . A 180 ASN HA . 34532 1 845 . 1 . 1 81 81 ASN HB2 H 1 3.512 0.020 . 1 . . . . A 180 ASN HB2 . 34532 1 846 . 1 . 1 81 81 ASN HB3 H 1 2.808 0.020 . 1 . . . . A 180 ASN HB3 . 34532 1 847 . 1 . 1 81 81 ASN HD21 H 1 7.602 0.020 . 2 . . . . A 180 ASN HD21 . 34532 1 848 . 1 . 1 81 81 ASN HD22 H 1 6.780 0.020 . 2 . . . . A 180 ASN HD22 . 34532 1 849 . 1 . 1 81 81 ASN C C 13 172.172 0.400 . 1 . . . . A 180 ASN C . 34532 1 850 . 1 . 1 81 81 ASN CA C 13 50.330 0.400 . 1 . . . . A 180 ASN CA . 34532 1 851 . 1 . 1 81 81 ASN CB C 13 37.309 0.400 . 1 . . . . A 180 ASN CB . 34532 1 852 . 1 . 1 81 81 ASN N N 15 119.805 0.400 . 1 . . . . A 180 ASN N . 34532 1 853 . 1 . 1 81 81 ASN ND2 N 15 109.561 0.400 . 1 . . . . A 180 ASN ND2 . 34532 1 854 . 1 . 1 82 82 THR H H 1 7.659 0.020 . 1 . . . . A 181 THR H . 34532 1 855 . 1 . 1 82 82 THR HA H 1 5.033 0.020 . 1 . . . . A 181 THR HA . 34532 1 856 . 1 . 1 82 82 THR HB H 1 4.431 0.020 . 1 . . . . A 181 THR HB . 34532 1 857 . 1 . 1 82 82 THR HG21 H 1 1.360 0.020 . 1 . . . . A 181 THR HG21 . 34532 1 858 . 1 . 1 82 82 THR HG22 H 1 1.360 0.020 . 1 . . . . A 181 THR HG22 . 34532 1 859 . 1 . 1 82 82 THR HG23 H 1 1.360 0.020 . 1 . . . . A 181 THR HG23 . 34532 1 860 . 1 . 1 82 82 THR CA C 13 56.549 0.400 . 1 . . . . A 181 THR CA . 34532 1 861 . 1 . 1 82 82 THR CB C 13 66.792 0.400 . 1 . . . . A 181 THR CB . 34532 1 862 . 1 . 1 82 82 THR CG2 C 13 19.522 0.400 . 1 . . . . A 181 THR CG2 . 34532 1 863 . 1 . 1 82 82 THR N N 15 111.784 0.400 . 1 . . . . A 181 THR N . 34532 1 864 . 1 . 1 83 83 PRO HA H 1 4.548 0.020 . 1 . . . . A 182 PRO HA . 34532 1 865 . 1 . 1 83 83 PRO HB2 H 1 2.461 0.020 . 2 . . . . A 182 PRO HB2 . 34532 1 866 . 1 . 1 83 83 PRO HB3 H 1 2.025 0.020 . 2 . . . . A 182 PRO HB3 . 34532 1 867 . 1 . 1 83 83 PRO HG2 H 1 2.347 0.020 . 2 . . . . A 182 PRO HG2 . 34532 1 868 . 1 . 1 83 83 PRO HG3 H 1 2.159 0.020 . 2 . . . . A 182 PRO HG3 . 34532 1 869 . 1 . 1 83 83 PRO HD2 H 1 3.944 0.020 . 2 . . . . A 182 PRO HD2 . 34532 1 870 . 1 . 1 83 83 PRO HD3 H 1 3.758 0.020 . 2 . . . . A 182 PRO HD3 . 34532 1 871 . 1 . 1 83 83 PRO C C 13 174.973 0.400 . 1 . . . . A 182 PRO C . 34532 1 872 . 1 . 1 83 83 PRO CA C 13 61.549 0.400 . 1 . . . . A 182 PRO CA . 34532 1 873 . 1 . 1 83 83 PRO CB C 13 29.387 0.400 . 1 . . . . A 182 PRO CB . 34532 1 874 . 1 . 1 83 83 PRO CG C 13 26.094 0.400 . 1 . . . . A 182 PRO CG . 34532 1 875 . 1 . 1 83 83 PRO CD C 13 47.719 0.400 . 1 . . . . A 182 PRO CD . 34532 1 876 . 1 . 1 84 84 LEU H H 1 9.268 0.020 . 1 . . . . A 183 LEU H . 34532 1 877 . 1 . 1 84 84 LEU HA H 1 3.556 0.020 . 1 . . . . A 183 LEU HA . 34532 1 878 . 1 . 1 84 84 LEU HB2 H 1 2.012 0.020 . 2 . . . . A 183 LEU HB2 . 34532 1 879 . 1 . 1 84 84 LEU HB3 H 1 1.571 0.020 . 2 . . . . A 183 LEU HB3 . 34532 1 880 . 1 . 1 84 84 LEU HG H 1 1.270 0.020 . 1 . . . . A 183 LEU HG . 34532 1 881 . 1 . 1 84 84 LEU HD11 H 1 0.110 0.020 . 2 . . . . A 183 LEU HD11 . 34532 1 882 . 1 . 1 84 84 LEU HD12 H 1 0.110 0.020 . 2 . . . . A 183 LEU HD12 . 34532 1 883 . 1 . 1 84 84 LEU HD13 H 1 0.110 0.020 . 2 . . . . A 183 LEU HD13 . 34532 1 884 . 1 . 1 84 84 LEU HD21 H 1 0.815 0.020 . 2 . . . . A 183 LEU HD21 . 34532 1 885 . 1 . 1 84 84 LEU HD22 H 1 0.815 0.020 . 2 . . . . A 183 LEU HD22 . 34532 1 886 . 1 . 1 84 84 LEU HD23 H 1 0.815 0.020 . 2 . . . . A 183 LEU HD23 . 34532 1 887 . 1 . 1 84 84 LEU C C 13 173.605 0.400 . 1 . . . . A 183 LEU C . 34532 1 888 . 1 . 1 84 84 LEU CA C 13 53.060 0.400 . 1 . . . . A 183 LEU CA . 34532 1 889 . 1 . 1 84 84 LEU CB C 13 34.738 0.400 . 1 . . . . A 183 LEU CB . 34532 1 890 . 1 . 1 84 84 LEU CG C 13 23.805 0.400 . 1 . . . . A 183 LEU CG . 34532 1 891 . 1 . 1 84 84 LEU CD1 C 13 20.252 0.400 . 2 . . . . A 183 LEU CD1 . 34532 1 892 . 1 . 1 84 84 LEU CD2 C 13 22.747 0.400 . 2 . . . . A 183 LEU CD2 . 34532 1 893 . 1 . 1 84 84 LEU N N 15 116.319 0.400 . 1 . . . . A 183 LEU N . 34532 1 894 . 1 . 1 85 85 CYS H H 1 7.538 0.020 . 1 . . . . A 184 CYS H . 34532 1 895 . 1 . 1 85 85 CYS HA H 1 4.691 0.020 . 1 . . . . A 184 CYS HA . 34532 1 896 . 1 . 1 85 85 CYS HB2 H 1 3.795 0.020 . 2 . . . . A 184 CYS HB2 . 34532 1 897 . 1 . 1 85 85 CYS HB3 H 1 3.499 0.020 . 2 . . . . A 184 CYS HB3 . 34532 1 898 . 1 . 1 85 85 CYS C C 13 170.714 0.400 . 1 . . . . A 184 CYS C . 34532 1 899 . 1 . 1 85 85 CYS CA C 13 53.791 0.400 . 1 . . . . A 184 CYS CA . 34532 1 900 . 1 . 1 85 85 CYS CB C 13 43.145 0.400 . 1 . . . . A 184 CYS CB . 34532 1 901 . 1 . 1 85 85 CYS N N 15 111.379 0.400 . 1 . . . . A 184 CYS N . 34532 1 902 . 1 . 1 86 86 ASN H H 1 8.596 0.020 . 1 . . . . A 185 ASN H . 34532 1 903 . 1 . 1 86 86 ASN HA H 1 4.505 0.020 . 1 . . . . A 185 ASN HA . 34532 1 904 . 1 . 1 86 86 ASN HB2 H 1 3.053 0.020 . 1 . . . . A 185 ASN HB2 . 34532 1 905 . 1 . 1 86 86 ASN HB3 H 1 2.463 0.020 . 1 . . . . A 185 ASN HB3 . 34532 1 906 . 1 . 1 86 86 ASN HD21 H 1 8.525 0.020 . 2 . . . . A 185 ASN HD21 . 34532 1 907 . 1 . 1 86 86 ASN HD22 H 1 7.250 0.020 . 2 . . . . A 185 ASN HD22 . 34532 1 908 . 1 . 1 86 86 ASN CA C 13 50.905 0.400 . 1 . . . . A 185 ASN CA . 34532 1 909 . 1 . 1 86 86 ASN CB C 13 36.746 0.400 . 1 . . . . A 185 ASN CB . 34532 1 910 . 1 . 1 86 86 ASN N N 15 125.899 0.400 . 1 . . . . A 185 ASN N . 34532 1 911 . 1 . 1 86 86 ASN ND2 N 15 112.613 0.400 . 1 . . . . A 185 ASN ND2 . 34532 1 stop_ save_