data_34531 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34531 _Entry.Title ; Solution structure of the water-soluble LU-domain of human Lypd6b 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 A. Tsarev A. V. . . 34531 2 D. Kulbatskii D. S. . . 34531 3 A. Paramonov A. S. . . 34531 4 E. Lyukmanova E. N. . . 34531 5 Z. Shenkarev Z. O. . . 34531 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Ly6/uPAR . 34531 Lypd6b . 34531 NEUROPEPTIDE . 34531 'nicotinic acetylcholine receptor modulator' . 34531 'three-finger proteins' . 34531 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34531 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 373 34531 '15N chemical shifts' 107 34531 '1H chemical shifts' 596 34531 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' 34531 1 . . 2021-01-06 2020-07-16 original author 'original release' 34531 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6ZSO 'BMRB Entry Tracking System' 34531 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34531 _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. . . 34531 1 2 Milita Kocharovskaya M. V. . . 34531 1 3 Andrey Tsarev A. V. . . 34531 1 4 Dmitrii Kulbatskii D. S. . . 34531 1 5 Eugene Loktyushov E. V. . . 34531 1 6 Mikhail Shulepko M. A. . . 34531 1 7 Mikhail Kirpichnikov M. P. . . 34531 1 8 Ekaterina Lyukmanova E. N. . . 34531 1 9 Zakhar Shenkarev Z. O. . . 34531 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34531 _Assembly.ID 1 _Assembly.Name 'Ly6/PLAUR domain-containing protein 6B' _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 . . . . . . 34531 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 32 32 SG . . . . . . . . . . . . 34531 1 2 disulfide single . 1 . 1 CYS 7 7 SG . 1 . 1 CYS 16 16 SG . . . . . . . . . . . . 34531 1 3 disulfide single . 1 . 1 CYS 25 25 SG . 1 . 1 CYS 51 51 SG . . . . . . . . . . . . 34531 1 4 disulfide single . 1 . 1 CYS 57 57 SG . 1 . 1 CYS 76 76 SG . . . . . . . . . . . . 34531 1 5 disulfide single . 1 . 1 CYS 62 62 SG . 1 . 1 CYS 73 73 SG . . . . . . . . . . . . 34531 1 6 disulfide single . 1 . 1 CYS 77 77 SG . 1 . 1 CYS 82 82 SG . . . . . . . . . . . . 34531 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34531 _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 ; MFKCFTCENAGDNYNCNRWA EDKWCPQNTQYCLTVHHFTS HGRSTSITKKCASRSECHFV GCHHSRDSEHTECRSCCEGM ICNVELPTNHTNAVFA ; _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 96 _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 11012.296 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . 34531 1 2 101 PHE . 34531 1 3 102 LYS . 34531 1 4 103 CYS . 34531 1 5 104 PHE . 34531 1 6 105 THR . 34531 1 7 106 CYS . 34531 1 8 107 GLU . 34531 1 9 108 ASN . 34531 1 10 109 ALA . 34531 1 11 110 GLY . 34531 1 12 111 ASP . 34531 1 13 112 ASN . 34531 1 14 113 TYR . 34531 1 15 114 ASN . 34531 1 16 115 CYS . 34531 1 17 116 ASN . 34531 1 18 117 ARG . 34531 1 19 118 TRP . 34531 1 20 119 ALA . 34531 1 21 120 GLU . 34531 1 22 121 ASP . 34531 1 23 122 LYS . 34531 1 24 123 TRP . 34531 1 25 124 CYS . 34531 1 26 125 PRO . 34531 1 27 126 GLN . 34531 1 28 127 ASN . 34531 1 29 128 THR . 34531 1 30 129 GLN . 34531 1 31 130 TYR . 34531 1 32 131 CYS . 34531 1 33 132 LEU . 34531 1 34 133 THR . 34531 1 35 134 VAL . 34531 1 36 135 HIS . 34531 1 37 136 HIS . 34531 1 38 137 PHE . 34531 1 39 138 THR . 34531 1 40 139 SER . 34531 1 41 140 HIS . 34531 1 42 141 GLY . 34531 1 43 142 ARG . 34531 1 44 143 SER . 34531 1 45 144 THR . 34531 1 46 145 SER . 34531 1 47 146 ILE . 34531 1 48 147 THR . 34531 1 49 148 LYS . 34531 1 50 149 LYS . 34531 1 51 150 CYS . 34531 1 52 151 ALA . 34531 1 53 152 SER . 34531 1 54 153 ARG . 34531 1 55 154 SER . 34531 1 56 155 GLU . 34531 1 57 156 CYS . 34531 1 58 157 HIS . 34531 1 59 158 PHE . 34531 1 60 159 VAL . 34531 1 61 160 GLY . 34531 1 62 161 CYS . 34531 1 63 162 HIS . 34531 1 64 163 HIS . 34531 1 65 164 SER . 34531 1 66 165 ARG . 34531 1 67 166 ASP . 34531 1 68 167 SER . 34531 1 69 168 GLU . 34531 1 70 169 HIS . 34531 1 71 170 THR . 34531 1 72 171 GLU . 34531 1 73 172 CYS . 34531 1 74 173 ARG . 34531 1 75 174 SER . 34531 1 76 175 CYS . 34531 1 77 176 CYS . 34531 1 78 177 GLU . 34531 1 79 178 GLY . 34531 1 80 179 MET . 34531 1 81 180 ILE . 34531 1 82 181 CYS . 34531 1 83 182 ASN . 34531 1 84 183 VAL . 34531 1 85 184 GLU . 34531 1 86 185 LEU . 34531 1 87 186 PRO . 34531 1 88 187 THR . 34531 1 89 188 ASN . 34531 1 90 189 HIS . 34531 1 91 190 THR . 34531 1 92 191 ASN . 34531 1 93 192 ALA . 34531 1 94 193 VAL . 34531 1 95 194 PHE . 34531 1 96 195 ALA . 34531 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 34531 1 . PHE 2 2 34531 1 . LYS 3 3 34531 1 . CYS 4 4 34531 1 . PHE 5 5 34531 1 . THR 6 6 34531 1 . CYS 7 7 34531 1 . GLU 8 8 34531 1 . ASN 9 9 34531 1 . ALA 10 10 34531 1 . GLY 11 11 34531 1 . ASP 12 12 34531 1 . ASN 13 13 34531 1 . TYR 14 14 34531 1 . ASN 15 15 34531 1 . CYS 16 16 34531 1 . ASN 17 17 34531 1 . ARG 18 18 34531 1 . TRP 19 19 34531 1 . ALA 20 20 34531 1 . GLU 21 21 34531 1 . ASP 22 22 34531 1 . LYS 23 23 34531 1 . TRP 24 24 34531 1 . CYS 25 25 34531 1 . PRO 26 26 34531 1 . GLN 27 27 34531 1 . ASN 28 28 34531 1 . THR 29 29 34531 1 . GLN 30 30 34531 1 . TYR 31 31 34531 1 . CYS 32 32 34531 1 . LEU 33 33 34531 1 . THR 34 34 34531 1 . VAL 35 35 34531 1 . HIS 36 36 34531 1 . HIS 37 37 34531 1 . PHE 38 38 34531 1 . THR 39 39 34531 1 . SER 40 40 34531 1 . HIS 41 41 34531 1 . GLY 42 42 34531 1 . ARG 43 43 34531 1 . SER 44 44 34531 1 . THR 45 45 34531 1 . SER 46 46 34531 1 . ILE 47 47 34531 1 . THR 48 48 34531 1 . LYS 49 49 34531 1 . LYS 50 50 34531 1 . CYS 51 51 34531 1 . ALA 52 52 34531 1 . SER 53 53 34531 1 . ARG 54 54 34531 1 . SER 55 55 34531 1 . GLU 56 56 34531 1 . CYS 57 57 34531 1 . HIS 58 58 34531 1 . PHE 59 59 34531 1 . VAL 60 60 34531 1 . GLY 61 61 34531 1 . CYS 62 62 34531 1 . HIS 63 63 34531 1 . HIS 64 64 34531 1 . SER 65 65 34531 1 . ARG 66 66 34531 1 . ASP 67 67 34531 1 . SER 68 68 34531 1 . GLU 69 69 34531 1 . HIS 70 70 34531 1 . THR 71 71 34531 1 . GLU 72 72 34531 1 . CYS 73 73 34531 1 . ARG 74 74 34531 1 . SER 75 75 34531 1 . CYS 76 76 34531 1 . CYS 77 77 34531 1 . GLU 78 78 34531 1 . GLY 79 79 34531 1 . MET 80 80 34531 1 . ILE 81 81 34531 1 . CYS 82 82 34531 1 . ASN 83 83 34531 1 . VAL 84 84 34531 1 . GLU 85 85 34531 1 . LEU 86 86 34531 1 . PRO 87 87 34531 1 . THR 88 88 34531 1 . ASN 89 89 34531 1 . HIS 90 90 34531 1 . THR 91 91 34531 1 . ASN 92 92 34531 1 . ALA 93 93 34531 1 . VAL 94 94 34531 1 . PHE 95 95 34531 1 . ALA 96 96 34531 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 34531 _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 . . . . . . . . . . . LYPD6B . 34531 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 34531 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli BL21(DE3)' . 'coding sequence cloned into pET22b(+) between NdeI and HindIII sites' 469008 . . . . . plasmid . . pET22b(+) . . . 34531 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34531 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.2 mM [U-13C; U-15N] lypd6, 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 lypd6 '[U-13C; U-15N]' . . 1 $entity_1 . . 0.2 . . mM 0.02 . . . 34531 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 34531 _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 34531 1 pH 5.5 0.05 pH 34531 1 pressure 1 . atm 34531 1 temperature 303 0.1 K 34531 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34531 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version 3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34531 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34531 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34531 _Software.ID 2 _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' . . 34531 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 34531 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34531 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version 3.98.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34531 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34531 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34531 _Software.ID 4 _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' . . 34531 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34531 4 'peak picking' . 34531 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 34531 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'with CryoProbe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34531 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'with CryoProbe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 34531 _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 . . . 34531 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 600 . . . 34531 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 34531 _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 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34531 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34531 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34531 1 4 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34531 1 5 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34531 1 6 '3D HNHA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34531 1 7 '3D HNHB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34531 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34531 1 9 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34531 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34531 1 11 '2d 1h-13C TROSY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34531 1 12 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34531 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 34531 _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 . . . . . 34531 1 H 1 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . 34531 1 N 15 'ammonium chloride' nitrogen . . . . ppm 0 external indirect 0.1013291 . . . . . 34531 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 34531 _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 1H-15N NOESY' . . . 34531 1 2 '3D HNCO' . . . 34531 1 3 '3D HNCACB' . . . 34531 1 4 '3D HNCA' . . . 34531 1 5 '3D HN(CO)CA' . . . 34531 1 6 '3D HNHA' . . . 34531 1 7 '3D HNHB' . . . 34531 1 8 '3D HCCH-TOCSY' . . . 34531 1 9 '2D 1H-13C HSQC aliphatic' . . . 34531 1 10 '2D 1H-15N HSQC' . . . 34531 1 11 '2d 1h-13C TROSY aromatic' . . . 34531 1 12 '3D CBCA(CO)NH' . . . 34531 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET HA H 1 4.220 0.000 . 1 . . . . A 100 MET HA . 34531 1 2 . 1 . 1 1 1 MET HB2 H 1 1.845 0.000 . 1 . . . . A 100 MET HB2 . 34531 1 3 . 1 . 1 1 1 MET HB3 H 1 1.474 0.000 . 1 . . . . A 100 MET HB3 . 34531 1 4 . 1 . 1 1 1 MET HG2 H 1 2.209 0.000 . 2 . . . . A 100 MET HG2 . 34531 1 5 . 1 . 1 1 1 MET HG3 H 1 2.127 0.000 . 2 . . . . A 100 MET HG3 . 34531 1 6 . 1 . 1 1 1 MET HE1 H 1 1.451 0.000 . 1 . . . . A 100 MET HE1 . 34531 1 7 . 1 . 1 1 1 MET HE2 H 1 1.451 0.000 . 1 . . . . A 100 MET HE2 . 34531 1 8 . 1 . 1 1 1 MET HE3 H 1 1.451 0.000 . 1 . . . . A 100 MET HE3 . 34531 1 9 . 1 . 1 1 1 MET C C 13 169.038 0.000 . 1 . . . . A 100 MET C . 34531 1 10 . 1 . 1 1 1 MET CA C 13 52.561 0.000 . 1 . . . . A 100 MET CA . 34531 1 11 . 1 . 1 1 1 MET CB C 13 30.945 0.000 . 1 . . . . A 100 MET CB . 34531 1 12 . 1 . 1 1 1 MET CG C 13 28.027 0.000 . 1 . . . . A 100 MET CG . 34531 1 13 . 1 . 1 1 1 MET CE C 13 13.200 0.000 . 1 . . . . A 100 MET CE . 34531 1 14 . 1 . 1 2 2 PHE H H 1 9.288 0.000 . 1 . . . . A 101 PHE H . 34531 1 15 . 1 . 1 2 2 PHE HA H 1 5.321 0.000 . 1 . . . . A 101 PHE HA . 34531 1 16 . 1 . 1 2 2 PHE HB2 H 1 2.825 0.000 . 1 . . . . A 101 PHE HB2 . 34531 1 17 . 1 . 1 2 2 PHE HB3 H 1 3.292 0.000 . 1 . . . . A 101 PHE HB3 . 34531 1 18 . 1 . 1 2 2 PHE HD1 H 1 7.015 0.000 . 1 . . . . A 101 PHE HD1 . 34531 1 19 . 1 . 1 2 2 PHE HD2 H 1 7.015 0.000 . 1 . . . . A 101 PHE HD2 . 34531 1 20 . 1 . 1 2 2 PHE HE1 H 1 7.246 0.000 . 1 . . . . A 101 PHE HE1 . 34531 1 21 . 1 . 1 2 2 PHE HE2 H 1 7.246 0.000 . 1 . . . . A 101 PHE HE2 . 34531 1 22 . 1 . 1 2 2 PHE HZ H 1 6.961 0.000 . 1 . . . . A 101 PHE HZ . 34531 1 23 . 1 . 1 2 2 PHE C C 13 168.621 0.000 . 1 . . . . A 101 PHE C . 34531 1 24 . 1 . 1 2 2 PHE CA C 13 53.999 0.000 . 1 . . . . A 101 PHE CA . 34531 1 25 . 1 . 1 2 2 PHE CB C 13 38.238 0.000 . 1 . . . . A 101 PHE CB . 34531 1 26 . 1 . 1 2 2 PHE CD1 C 13 128.746 0.000 . 1 . . . . A 101 PHE CD1 . 34531 1 27 . 1 . 1 2 2 PHE CE1 C 13 129.726 0.000 . 1 . . . . A 101 PHE CE1 . 34531 1 28 . 1 . 1 2 2 PHE CZ C 13 128.031 0.000 . 1 . . . . A 101 PHE CZ . 34531 1 29 . 1 . 1 2 2 PHE N N 15 119.659 0.000 . 1 . . . . A 101 PHE N . 34531 1 30 . 1 . 1 3 3 LYS H H 1 7.302 0.000 . 1 . . . . A 102 LYS H . 34531 1 31 . 1 . 1 3 3 LYS HA H 1 4.744 0.000 . 1 . . . . A 102 LYS HA . 34531 1 32 . 1 . 1 3 3 LYS HB2 H 1 1.175 0.000 . 1 . . . . A 102 LYS HB2 . 34531 1 33 . 1 . 1 3 3 LYS HB3 H 1 1.502 0.000 . 1 . . . . A 102 LYS HB3 . 34531 1 34 . 1 . 1 3 3 LYS HG2 H 1 0.899 0.000 . 2 . . . . A 102 LYS HG2 . 34531 1 35 . 1 . 1 3 3 LYS HG3 H 1 0.724 0.000 . 2 . . . . A 102 LYS HG3 . 34531 1 36 . 1 . 1 3 3 LYS HD2 H 1 0.726 0.000 . 2 . . . . A 102 LYS HD2 . 34531 1 37 . 1 . 1 3 3 LYS HD3 H 1 0.635 0.000 . 2 . . . . A 102 LYS HD3 . 34531 1 38 . 1 . 1 3 3 LYS HE2 H 1 0.842 0.000 . 2 . . . . A 102 LYS HE2 . 34531 1 39 . 1 . 1 3 3 LYS HE3 H 1 1.176 0.000 . 2 . . . . A 102 LYS HE3 . 34531 1 40 . 1 . 1 3 3 LYS C C 13 171.825 0.000 . 1 . . . . A 102 LYS C . 34531 1 41 . 1 . 1 3 3 LYS CA C 13 52.405 0.000 . 1 . . . . A 102 LYS CA . 34531 1 42 . 1 . 1 3 3 LYS CB C 13 34.282 0.000 . 1 . . . . A 102 LYS CB . 34531 1 43 . 1 . 1 3 3 LYS CG C 13 26.283 0.000 . 1 . . . . A 102 LYS CG . 34531 1 44 . 1 . 1 3 3 LYS CD C 13 22.728 0.000 . 1 . . . . A 102 LYS CD . 34531 1 45 . 1 . 1 3 3 LYS CE C 13 37.650 0.000 . 1 . . . . A 102 LYS CE . 34531 1 46 . 1 . 1 3 3 LYS N N 15 119.695 0.000 . 1 . . . . A 102 LYS N . 34531 1 47 . 1 . 1 4 4 CYS H H 1 8.327 0.000 . 1 . . . . A 103 CYS H . 34531 1 48 . 1 . 1 4 4 CYS HA H 1 4.884 0.000 . 1 . . . . A 103 CYS HA . 34531 1 49 . 1 . 1 4 4 CYS HB2 H 1 2.287 0.000 . 1 . . . . A 103 CYS HB2 . 34531 1 50 . 1 . 1 4 4 CYS HB3 H 1 3.122 0.000 . 1 . . . . A 103 CYS HB3 . 34531 1 51 . 1 . 1 4 4 CYS C C 13 173.544 0.000 . 1 . . . . A 103 CYS C . 34531 1 52 . 1 . 1 4 4 CYS CA C 13 50.219 0.000 . 1 . . . . A 103 CYS CA . 34531 1 53 . 1 . 1 4 4 CYS CB C 13 38.959 0.000 . 1 . . . . A 103 CYS CB . 34531 1 54 . 1 . 1 4 4 CYS N N 15 117.482 0.000 . 1 . . . . A 103 CYS N . 34531 1 55 . 1 . 1 5 5 PHE H H 1 8.681 0.000 . 1 . . . . A 104 PHE H . 34531 1 56 . 1 . 1 5 5 PHE HA H 1 4.374 0.000 . 1 . . . . A 104 PHE HA . 34531 1 57 . 1 . 1 5 5 PHE HB2 H 1 2.461 0.000 . 1 . . . . A 104 PHE HB2 . 34531 1 58 . 1 . 1 5 5 PHE HB3 H 1 2.776 0.000 . 1 . . . . A 104 PHE HB3 . 34531 1 59 . 1 . 1 5 5 PHE HD1 H 1 6.939 0.000 . 1 . . . . A 104 PHE HD1 . 34531 1 60 . 1 . 1 5 5 PHE HD2 H 1 6.939 0.000 . 1 . . . . A 104 PHE HD2 . 34531 1 61 . 1 . 1 5 5 PHE HE1 H 1 7.151 0.000 . 1 . . . . A 104 PHE HE1 . 34531 1 62 . 1 . 1 5 5 PHE HE2 H 1 7.151 0.000 . 1 . . . . A 104 PHE HE2 . 34531 1 63 . 1 . 1 5 5 PHE HZ H 1 7.245 0.000 . 1 . . . . A 104 PHE HZ . 34531 1 64 . 1 . 1 5 5 PHE C C 13 173.336 0.000 . 1 . . . . A 104 PHE C . 34531 1 65 . 1 . 1 5 5 PHE CA C 13 58.776 0.000 . 1 . . . . A 104 PHE CA . 34531 1 66 . 1 . 1 5 5 PHE CB C 13 35.815 0.000 . 1 . . . . A 104 PHE CB . 34531 1 67 . 1 . 1 5 5 PHE CD1 C 13 128.016 0.000 . 1 . . . . A 104 PHE CD1 . 34531 1 68 . 1 . 1 5 5 PHE CE1 C 13 126.838 0.000 . 1 . . . . A 104 PHE CE1 . 34531 1 69 . 1 . 1 5 5 PHE CZ C 13 129.025 0.000 . 1 . . . . A 104 PHE CZ . 34531 1 70 . 1 . 1 5 5 PHE N N 15 121.627 0.000 . 1 . . . . A 104 PHE N . 34531 1 71 . 1 . 1 6 6 THR H H 1 7.601 0.000 . 1 . . . . A 105 THR H . 34531 1 72 . 1 . 1 6 6 THR HA H 1 4.777 0.000 . 1 . . . . A 105 THR HA . 34531 1 73 . 1 . 1 6 6 THR HB H 1 4.176 0.000 . 1 . . . . A 105 THR HB . 34531 1 74 . 1 . 1 6 6 THR HG21 H 1 1.136 0.000 . 1 . . . . A 105 THR HG21 . 34531 1 75 . 1 . 1 6 6 THR HG22 H 1 1.136 0.000 . 1 . . . . A 105 THR HG22 . 34531 1 76 . 1 . 1 6 6 THR HG23 H 1 1.136 0.000 . 1 . . . . A 105 THR HG23 . 34531 1 77 . 1 . 1 6 6 THR C C 13 169.663 0.000 . 1 . . . . A 105 THR C . 34531 1 78 . 1 . 1 6 6 THR CA C 13 56.735 0.000 . 1 . . . . A 105 THR CA . 34531 1 79 . 1 . 1 6 6 THR CB C 13 69.271 0.000 . 1 . . . . A 105 THR CB . 34531 1 80 . 1 . 1 6 6 THR CG2 C 13 18.941 0.000 . 1 . . . . A 105 THR CG2 . 34531 1 81 . 1 . 1 6 6 THR N N 15 111.961 0.000 . 1 . . . . A 105 THR N . 34531 1 82 . 1 . 1 7 7 CYS H H 1 8.855 0.000 . 1 . . . . A 106 CYS H . 34531 1 83 . 1 . 1 7 7 CYS HA H 1 4.741 0.000 . 1 . . . . A 106 CYS HA . 34531 1 84 . 1 . 1 7 7 CYS HB2 H 1 3.726 0.000 . 1 . . . . A 106 CYS HB2 . 34531 1 85 . 1 . 1 7 7 CYS HB3 H 1 4.037 0.000 . 1 . . . . A 106 CYS HB3 . 34531 1 86 . 1 . 1 7 7 CYS C C 13 169.807 0.000 . 1 . . . . A 106 CYS C . 34531 1 87 . 1 . 1 7 7 CYS CA C 13 53.076 0.000 . 1 . . . . A 106 CYS CA . 34531 1 88 . 1 . 1 7 7 CYS CB C 13 45.972 0.000 . 1 . . . . A 106 CYS CB . 34531 1 89 . 1 . 1 7 7 CYS N N 15 114.556 0.000 . 1 . . . . A 106 CYS N . 34531 1 90 . 1 . 1 8 8 GLU H H 1 8.606 0.000 . 1 . . . . A 107 GLU H . 34531 1 91 . 1 . 1 8 8 GLU HA H 1 4.796 0.000 . 1 . . . . A 107 GLU HA . 34531 1 92 . 1 . 1 8 8 GLU HB2 H 1 1.933 0.000 . 1 . . . . A 107 GLU HB2 . 34531 1 93 . 1 . 1 8 8 GLU HB3 H 1 1.887 0.000 . 1 . . . . A 107 GLU HB3 . 34531 1 94 . 1 . 1 8 8 GLU HG2 H 1 2.166 0.000 . 2 . . . . A 107 GLU HG2 . 34531 1 95 . 1 . 1 8 8 GLU HG3 H 1 2.166 0.000 . 2 . . . . A 107 GLU HG3 . 34531 1 96 . 1 . 1 8 8 GLU C C 13 171.578 0.000 . 1 . . . . A 107 GLU C . 34531 1 97 . 1 . 1 8 8 GLU CA C 13 53.188 0.000 . 1 . . . . A 107 GLU CA . 34531 1 98 . 1 . 1 8 8 GLU CB C 13 29.231 0.000 . 1 . . . . A 107 GLU CB . 34531 1 99 . 1 . 1 8 8 GLU CG C 13 33.313 0.000 . 1 . . . . A 107 GLU CG . 34531 1 100 . 1 . 1 8 8 GLU N N 15 120.299 0.000 . 1 . . . . A 107 GLU N . 34531 1 101 . 1 . 1 9 9 ASN H H 1 8.326 0.000 . 1 . . . . A 108 ASN H . 34531 1 102 . 1 . 1 9 9 ASN HA H 1 4.241 0.000 . 1 . . . . A 108 ASN HA . 34531 1 103 . 1 . 1 9 9 ASN HB2 H 1 2.985 0.000 . 1 . . . . A 108 ASN HB2 . 34531 1 104 . 1 . 1 9 9 ASN HB3 H 1 2.699 0.000 . 1 . . . . A 108 ASN HB3 . 34531 1 105 . 1 . 1 9 9 ASN HD21 H 1 7.504 0.000 . 2 . . . . A 108 ASN HD21 . 34531 1 106 . 1 . 1 9 9 ASN HD22 H 1 6.867 0.000 . 2 . . . . A 108 ASN HD22 . 34531 1 107 . 1 . 1 9 9 ASN C C 13 172.073 0.000 . 1 . . . . A 108 ASN C . 34531 1 108 . 1 . 1 9 9 ASN CA C 13 51.420 0.000 . 1 . . . . A 108 ASN CA . 34531 1 109 . 1 . 1 9 9 ASN CB C 13 34.472 0.000 . 1 . . . . A 108 ASN CB . 34531 1 110 . 1 . 1 9 9 ASN N N 15 123.699 0.000 . 1 . . . . A 108 ASN N . 34531 1 111 . 1 . 1 9 9 ASN ND2 N 15 113.487 0.000 . 1 . . . . A 108 ASN ND2 . 34531 1 112 . 1 . 1 10 10 ALA H H 1 8.996 0.000 . 1 . . . . A 109 ALA H . 34531 1 113 . 1 . 1 10 10 ALA HA H 1 4.516 0.000 . 1 . . . . A 109 ALA HA . 34531 1 114 . 1 . 1 10 10 ALA HB1 H 1 1.539 0.000 . 1 . . . . A 109 ALA HB1 . 34531 1 115 . 1 . 1 10 10 ALA HB2 H 1 1.539 0.000 . 1 . . . . A 109 ALA HB2 . 34531 1 116 . 1 . 1 10 10 ALA HB3 H 1 1.539 0.000 . 1 . . . . A 109 ALA HB3 . 34531 1 117 . 1 . 1 10 10 ALA C C 13 175.797 0.000 . 1 . . . . A 109 ALA C . 34531 1 118 . 1 . 1 10 10 ALA CA C 13 49.288 0.000 . 1 . . . . A 109 ALA CA . 34531 1 119 . 1 . 1 10 10 ALA CB C 13 18.822 0.000 . 1 . . . . A 109 ALA CB . 34531 1 120 . 1 . 1 10 10 ALA N N 15 121.797 0.000 . 1 . . . . A 109 ALA N . 34531 1 121 . 1 . 1 11 11 GLY H H 1 8.840 0.000 . 1 . . . . A 110 GLY H . 34531 1 122 . 1 . 1 11 11 GLY HA2 H 1 4.101 0.000 . 2 . . . . A 110 GLY HA2 . 34531 1 123 . 1 . 1 11 11 GLY HA3 H 1 3.752 0.000 . 2 . . . . A 110 GLY HA3 . 34531 1 124 . 1 . 1 11 11 GLY C C 13 170.549 0.000 . 1 . . . . A 110 GLY C . 34531 1 125 . 1 . 1 11 11 GLY CA C 13 42.742 0.000 . 1 . . . . A 110 GLY CA . 34531 1 126 . 1 . 1 11 11 GLY N N 15 105.121 0.000 . 1 . . . . A 110 GLY N . 34531 1 127 . 1 . 1 12 12 ASP H H 1 7.293 0.000 . 1 . . . . A 111 ASP H . 34531 1 128 . 1 . 1 12 12 ASP HA H 1 4.484 0.000 . 1 . . . . A 111 ASP HA . 34531 1 129 . 1 . 1 12 12 ASP HB2 H 1 2.865 0.000 . 1 . . . . A 111 ASP HB2 . 34531 1 130 . 1 . 1 12 12 ASP HB3 H 1 2.793 0.000 . 1 . . . . A 111 ASP HB3 . 34531 1 131 . 1 . 1 12 12 ASP C C 13 172.607 0.000 . 1 . . . . A 111 ASP C . 34531 1 132 . 1 . 1 12 12 ASP CA C 13 50.404 0.000 . 1 . . . . A 111 ASP CA . 34531 1 133 . 1 . 1 12 12 ASP CB C 13 40.392 0.000 . 1 . . . . A 111 ASP CB . 34531 1 134 . 1 . 1 12 12 ASP N N 15 112.095 0.000 . 1 . . . . A 111 ASP N . 34531 1 135 . 1 . 1 13 13 ASN H H 1 8.919 0.000 . 1 . . . . A 112 ASN H . 34531 1 136 . 1 . 1 13 13 ASN HA H 1 4.068 0.000 . 1 . . . . A 112 ASN HA . 34531 1 137 . 1 . 1 13 13 ASN HB2 H 1 2.306 0.000 . 1 . . . . A 112 ASN HB2 . 34531 1 138 . 1 . 1 13 13 ASN HB3 H 1 2.517 0.000 . 1 . . . . A 112 ASN HB3 . 34531 1 139 . 1 . 1 13 13 ASN HD21 H 1 7.301 0.000 . 2 . . . . A 112 ASN HD21 . 34531 1 140 . 1 . 1 13 13 ASN HD22 H 1 7.139 0.000 . 2 . . . . A 112 ASN HD22 . 34531 1 141 . 1 . 1 13 13 ASN C C 13 173.453 0.000 . 1 . . . . A 112 ASN C . 34531 1 142 . 1 . 1 13 13 ASN CA C 13 53.828 0.000 . 1 . . . . A 112 ASN CA . 34531 1 143 . 1 . 1 13 13 ASN CB C 13 37.227 0.000 . 1 . . . . A 112 ASN CB . 34531 1 144 . 1 . 1 13 13 ASN N N 15 120.600 0.000 . 1 . . . . A 112 ASN N . 34531 1 145 . 1 . 1 13 13 ASN ND2 N 15 111.864 0.000 . 1 . . . . A 112 ASN ND2 . 34531 1 146 . 1 . 1 14 14 TYR H H 1 8.151 0.000 . 1 . . . . A 113 TYR H . 34531 1 147 . 1 . 1 14 14 TYR HA H 1 3.899 0.000 . 1 . . . . A 113 TYR HA . 34531 1 148 . 1 . 1 14 14 TYR HB2 H 1 3.033 0.000 . 1 . . . . A 113 TYR HB2 . 34531 1 149 . 1 . 1 14 14 TYR HB3 H 1 2.892 0.000 . 1 . . . . A 113 TYR HB3 . 34531 1 150 . 1 . 1 14 14 TYR HD1 H 1 6.985 0.000 . 1 . . . . A 113 TYR HD1 . 34531 1 151 . 1 . 1 14 14 TYR HD2 H 1 6.985 0.000 . 1 . . . . A 113 TYR HD2 . 34531 1 152 . 1 . 1 14 14 TYR HE1 H 1 6.689 0.000 . 1 . . . . A 113 TYR HE1 . 34531 1 153 . 1 . 1 14 14 TYR HE2 H 1 6.689 0.000 . 1 . . . . A 113 TYR HE2 . 34531 1 154 . 1 . 1 14 14 TYR C C 13 175.289 0.000 . 1 . . . . A 113 TYR C . 34531 1 155 . 1 . 1 14 14 TYR CA C 13 58.450 0.000 . 1 . . . . A 113 TYR CA . 34531 1 156 . 1 . 1 14 14 TYR CB C 13 34.751 0.000 . 1 . . . . A 113 TYR CB . 34531 1 157 . 1 . 1 14 14 TYR CD1 C 13 130.603 0.000 . 1 . . . . A 113 TYR CD1 . 34531 1 158 . 1 . 1 14 14 TYR CE1 C 13 115.288 0.000 . 1 . . . . A 113 TYR CE1 . 34531 1 159 . 1 . 1 14 14 TYR N N 15 118.527 0.000 . 1 . . . . A 113 TYR N . 34531 1 160 . 1 . 1 15 15 ASN H H 1 8.916 0.000 . 1 . . . . A 114 ASN H . 34531 1 161 . 1 . 1 15 15 ASN HA H 1 4.105 0.000 . 1 . . . . A 114 ASN HA . 34531 1 162 . 1 . 1 15 15 ASN HB2 H 1 2.845 0.000 . 1 . . . . A 114 ASN HB2 . 34531 1 163 . 1 . 1 15 15 ASN HB3 H 1 2.649 0.000 . 1 . . . . A 114 ASN HB3 . 34531 1 164 . 1 . 1 15 15 ASN HD21 H 1 8.921 0.000 . 2 . . . . A 114 ASN HD21 . 34531 1 165 . 1 . 1 15 15 ASN HD22 H 1 7.112 0.000 . 2 . . . . A 114 ASN HD22 . 34531 1 166 . 1 . 1 15 15 ASN C C 13 174.521 0.000 . 1 . . . . A 114 ASN C . 34531 1 167 . 1 . 1 15 15 ASN CA C 13 53.765 0.000 . 1 . . . . A 114 ASN CA . 34531 1 168 . 1 . 1 15 15 ASN CB C 13 36.050 0.000 . 1 . . . . A 114 ASN CB . 34531 1 169 . 1 . 1 15 15 ASN N N 15 117.488 0.000 . 1 . . . . A 114 ASN N . 34531 1 170 . 1 . 1 15 15 ASN ND2 N 15 116.799 0.000 . 1 . . . . A 114 ASN ND2 . 34531 1 171 . 1 . 1 16 16 CYS H H 1 7.515 0.000 . 1 . . . . A 115 CYS H . 34531 1 172 . 1 . 1 16 16 CYS HA H 1 4.068 0.000 . 1 . . . . A 115 CYS HA . 34531 1 173 . 1 . 1 16 16 CYS HB2 H 1 2.801 0.000 . 1 . . . . A 115 CYS HB2 . 34531 1 174 . 1 . 1 16 16 CYS HB3 H 1 3.183 0.000 . 1 . . . . A 115 CYS HB3 . 34531 1 175 . 1 . 1 16 16 CYS C C 13 172.034 0.000 . 1 . . . . A 115 CYS C . 34531 1 176 . 1 . 1 16 16 CYS CA C 13 56.906 0.000 . 1 . . . . A 115 CYS CA . 34531 1 177 . 1 . 1 16 16 CYS CB C 13 41.017 0.000 . 1 . . . . A 115 CYS CB . 34531 1 178 . 1 . 1 16 16 CYS N N 15 116.946 0.000 . 1 . . . . A 115 CYS N . 34531 1 179 . 1 . 1 17 17 ASN H H 1 7.395 0.000 . 1 . . . . A 116 ASN H . 34531 1 180 . 1 . 1 17 17 ASN HA H 1 4.072 0.000 . 1 . . . . A 116 ASN HA . 34531 1 181 . 1 . 1 17 17 ASN HB2 H 1 2.254 0.000 . 1 . . . . A 116 ASN HB2 . 34531 1 182 . 1 . 1 17 17 ASN HB3 H 1 1.993 0.000 . 1 . . . . A 116 ASN HB3 . 34531 1 183 . 1 . 1 17 17 ASN HD21 H 1 6.932 0.000 . 2 . . . . A 116 ASN HD21 . 34531 1 184 . 1 . 1 17 17 ASN HD22 H 1 6.263 0.000 . 2 . . . . A 116 ASN HD22 . 34531 1 185 . 1 . 1 17 17 ASN C C 13 174.612 0.000 . 1 . . . . A 116 ASN C . 34531 1 186 . 1 . 1 17 17 ASN CA C 13 51.549 0.000 . 1 . . . . A 116 ASN CA . 34531 1 187 . 1 . 1 17 17 ASN CB C 13 33.608 0.000 . 1 . . . . A 116 ASN CB . 34531 1 188 . 1 . 1 17 17 ASN N N 15 115.441 0.000 . 1 . . . . A 116 ASN N . 34531 1 189 . 1 . 1 17 17 ASN ND2 N 15 105.946 0.000 . 1 . . . . A 116 ASN ND2 . 34531 1 190 . 1 . 1 18 18 ARG H H 1 7.770 0.000 . 1 . . . . A 117 ARG H . 34531 1 191 . 1 . 1 18 18 ARG HA H 1 3.823 0.000 . 1 . . . . A 117 ARG HA . 34531 1 192 . 1 . 1 18 18 ARG HB2 H 1 1.241 0.000 . 1 . . . . A 117 ARG HB2 . 34531 1 193 . 1 . 1 18 18 ARG HB3 H 1 1.097 0.000 . 1 . . . . A 117 ARG HB3 . 34531 1 194 . 1 . 1 18 18 ARG HG2 H 1 0.836 0.000 . 2 . . . . A 117 ARG HG2 . 34531 1 195 . 1 . 1 18 18 ARG HG3 H 1 0.612 0.000 . 2 . . . . A 117 ARG HG3 . 34531 1 196 . 1 . 1 18 18 ARG HD2 H 1 2.594 0.000 . 2 . . . . A 117 ARG HD2 . 34531 1 197 . 1 . 1 18 18 ARG HD3 H 1 2.467 0.000 . 2 . . . . A 117 ARG HD3 . 34531 1 198 . 1 . 1 18 18 ARG HE H 1 6.679 0.000 . 1 . . . . A 117 ARG HE . 34531 1 199 . 1 . 1 18 18 ARG C C 13 174.273 0.000 . 1 . . . . A 117 ARG C . 34531 1 200 . 1 . 1 18 18 ARG CA C 13 54.733 0.000 . 1 . . . . A 117 ARG CA . 34531 1 201 . 1 . 1 18 18 ARG CB C 13 27.180 0.000 . 1 . . . . A 117 ARG CB . 34531 1 202 . 1 . 1 18 18 ARG CG C 13 23.275 0.000 . 1 . . . . A 117 ARG CG . 34531 1 203 . 1 . 1 18 18 ARG CD C 13 40.253 0.000 . 1 . . . . A 117 ARG CD . 34531 1 204 . 1 . 1 18 18 ARG N N 15 119.307 0.000 . 1 . . . . A 117 ARG N . 34531 1 205 . 1 . 1 18 18 ARG NE N 15 84.900 0.000 . 1 . . . . A 117 ARG NE . 34531 1 206 . 1 . 1 19 19 TRP H H 1 7.307 0.000 . 1 . . . . A 118 TRP H . 34531 1 207 . 1 . 1 19 19 TRP HA H 1 4.792 0.000 . 1 . . . . A 118 TRP HA . 34531 1 208 . 1 . 1 19 19 TRP HB2 H 1 3.570 0.000 . 1 . . . . A 118 TRP HB2 . 34531 1 209 . 1 . 1 19 19 TRP HB3 H 1 3.276 0.000 . 1 . . . . A 118 TRP HB3 . 34531 1 210 . 1 . 1 19 19 TRP HD1 H 1 7.395 0.000 . 1 . . . . A 118 TRP HD1 . 34531 1 211 . 1 . 1 19 19 TRP HE1 H 1 9.977 0.000 . 1 . . . . A 118 TRP HE1 . 34531 1 212 . 1 . 1 19 19 TRP HE3 H 1 7.667 0.000 . 1 . . . . A 118 TRP HE3 . 34531 1 213 . 1 . 1 19 19 TRP HZ2 H 1 7.392 0.000 . 1 . . . . A 118 TRP HZ2 . 34531 1 214 . 1 . 1 19 19 TRP HZ3 H 1 7.063 0.000 . 1 . . . . A 118 TRP HZ3 . 34531 1 215 . 1 . 1 19 19 TRP HH2 H 1 7.137 0.000 . 1 . . . . A 118 TRP HH2 . 34531 1 216 . 1 . 1 19 19 TRP C C 13 173.088 0.000 . 1 . . . . A 118 TRP C . 34531 1 217 . 1 . 1 19 19 TRP CA C 13 53.525 0.000 . 1 . . . . A 118 TRP CA . 34531 1 218 . 1 . 1 19 19 TRP CB C 13 26.242 0.000 . 1 . . . . A 118 TRP CB . 34531 1 219 . 1 . 1 19 19 TRP CD1 C 13 125.432 0.000 . 1 . . . . A 118 TRP CD1 . 34531 1 220 . 1 . 1 19 19 TRP CE3 C 13 118.463 0.000 . 1 . . . . A 118 TRP CE3 . 34531 1 221 . 1 . 1 19 19 TRP CZ2 C 13 111.794 0.000 . 1 . . . . A 118 TRP CZ2 . 34531 1 222 . 1 . 1 19 19 TRP CZ3 C 13 119.223 0.000 . 1 . . . . A 118 TRP CZ3 . 34531 1 223 . 1 . 1 19 19 TRP CH2 C 13 121.865 0.000 . 1 . . . . A 118 TRP CH2 . 34531 1 224 . 1 . 1 19 19 TRP N N 15 118.419 0.000 . 1 . . . . A 118 TRP N . 34531 1 225 . 1 . 1 19 19 TRP NE1 N 15 128.058 0.000 . 1 . . . . A 118 TRP NE1 . 34531 1 226 . 1 . 1 20 20 ALA H H 1 7.491 0.000 . 1 . . . . A 119 ALA H . 34531 1 227 . 1 . 1 20 20 ALA HA H 1 4.464 0.000 . 1 . . . . A 119 ALA HA . 34531 1 228 . 1 . 1 20 20 ALA HB1 H 1 1.610 0.000 . 1 . . . . A 119 ALA HB1 . 34531 1 229 . 1 . 1 20 20 ALA HB2 H 1 1.610 0.000 . 1 . . . . A 119 ALA HB2 . 34531 1 230 . 1 . 1 20 20 ALA HB3 H 1 1.610 0.000 . 1 . . . . A 119 ALA HB3 . 34531 1 231 . 1 . 1 20 20 ALA C C 13 175.055 0.000 . 1 . . . . A 119 ALA C . 34531 1 232 . 1 . 1 20 20 ALA CA C 13 49.954 0.000 . 1 . . . . A 119 ALA CA . 34531 1 233 . 1 . 1 20 20 ALA CB C 13 17.215 0.000 . 1 . . . . A 119 ALA CB . 34531 1 234 . 1 . 1 20 20 ALA N N 15 123.956 0.000 . 1 . . . . A 119 ALA N . 34531 1 235 . 1 . 1 21 21 GLU H H 1 8.397 0.000 . 1 . . . . A 120 GLU H . 34531 1 236 . 1 . 1 21 21 GLU HA H 1 4.138 0.000 . 1 . . . . A 120 GLU HA . 34531 1 237 . 1 . 1 21 21 GLU HB2 H 1 1.897 0.000 . 2 . . . . A 120 GLU HB2 . 34531 1 238 . 1 . 1 21 21 GLU HB3 H 1 1.897 0.000 . 2 . . . . A 120 GLU HB3 . 34531 1 239 . 1 . 1 21 21 GLU HG2 H 1 2.307 0.000 . 2 . . . . A 120 GLU HG2 . 34531 1 240 . 1 . 1 21 21 GLU HG3 H 1 2.192 0.000 . 2 . . . . A 120 GLU HG3 . 34531 1 241 . 1 . 1 21 21 GLU C C 13 173.674 0.000 . 1 . . . . A 120 GLU C . 34531 1 242 . 1 . 1 21 21 GLU CA C 13 53.808 0.000 . 1 . . . . A 120 GLU CA . 34531 1 243 . 1 . 1 21 21 GLU CB C 13 28.052 0.000 . 1 . . . . A 120 GLU CB . 34531 1 244 . 1 . 1 21 21 GLU CG C 13 33.610 0.000 . 1 . . . . A 120 GLU CG . 34531 1 245 . 1 . 1 21 21 GLU N N 15 121.715 0.000 . 1 . . . . A 120 GLU N . 34531 1 246 . 1 . 1 22 22 ASP H H 1 8.705 0.000 . 1 . . . . A 121 ASP H . 34531 1 247 . 1 . 1 22 22 ASP HA H 1 4.379 0.000 . 1 . . . . A 121 ASP HA . 34531 1 248 . 1 . 1 22 22 ASP HB2 H 1 2.594 0.000 . 1 . . . . A 121 ASP HB2 . 34531 1 249 . 1 . 1 22 22 ASP HB3 H 1 2.364 0.000 . 1 . . . . A 121 ASP HB3 . 34531 1 250 . 1 . 1 22 22 ASP C C 13 172.047 0.000 . 1 . . . . A 121 ASP C . 34531 1 251 . 1 . 1 22 22 ASP CA C 13 50.859 0.000 . 1 . . . . A 121 ASP CA . 34531 1 252 . 1 . 1 22 22 ASP CB C 13 37.010 0.000 . 1 . . . . A 121 ASP CB . 34531 1 253 . 1 . 1 22 22 ASP N N 15 123.538 0.000 . 1 . . . . A 121 ASP N . 34531 1 254 . 1 . 1 23 23 LYS H H 1 7.310 0.000 . 1 . . . . A 122 LYS H . 34531 1 255 . 1 . 1 23 23 LYS HA H 1 4.355 0.000 . 1 . . . . A 122 LYS HA . 34531 1 256 . 1 . 1 23 23 LYS HB2 H 1 1.690 0.000 . 2 . . . . A 122 LYS HB2 . 34531 1 257 . 1 . 1 23 23 LYS HB3 H 1 1.534 0.000 . 2 . . . . A 122 LYS HB3 . 34531 1 258 . 1 . 1 23 23 LYS HG2 H 1 1.252 0.000 . 2 . . . . A 122 LYS HG2 . 34531 1 259 . 1 . 1 23 23 LYS HG3 H 1 1.252 0.000 . 2 . . . . A 122 LYS HG3 . 34531 1 260 . 1 . 1 23 23 LYS HD2 H 1 1.583 0.000 . 2 . . . . A 122 LYS HD2 . 34531 1 261 . 1 . 1 23 23 LYS HD3 H 1 1.583 0.000 . 2 . . . . A 122 LYS HD3 . 34531 1 262 . 1 . 1 23 23 LYS HE2 H 1 2.929 0.000 . 2 . . . . A 122 LYS HE2 . 34531 1 263 . 1 . 1 23 23 LYS HE3 H 1 2.929 0.000 . 2 . . . . A 122 LYS HE3 . 34531 1 264 . 1 . 1 23 23 LYS C C 13 172.463 0.000 . 1 . . . . A 122 LYS C . 34531 1 265 . 1 . 1 23 23 LYS CA C 13 51.916 0.000 . 1 . . . . A 122 LYS CA . 34531 1 266 . 1 . 1 23 23 LYS CB C 13 32.602 0.000 . 1 . . . . A 122 LYS CB . 34531 1 267 . 1 . 1 23 23 LYS CG C 13 21.636 0.000 . 1 . . . . A 122 LYS CG . 34531 1 268 . 1 . 1 23 23 LYS CD C 13 26.470 0.000 . 1 . . . . A 122 LYS CD . 34531 1 269 . 1 . 1 23 23 LYS CE C 13 39.511 0.000 . 1 . . . . A 122 LYS CE . 34531 1 270 . 1 . 1 23 23 LYS N N 15 121.398 0.000 . 1 . . . . A 122 LYS N . 34531 1 271 . 1 . 1 24 24 TRP H H 1 8.078 0.000 . 1 . . . . A 123 TRP H . 34531 1 272 . 1 . 1 24 24 TRP HA H 1 4.363 0.000 . 1 . . . . A 123 TRP HA . 34531 1 273 . 1 . 1 24 24 TRP HB2 H 1 3.185 0.000 . 1 . . . . A 123 TRP HB2 . 34531 1 274 . 1 . 1 24 24 TRP HB3 H 1 2.862 0.000 . 1 . . . . A 123 TRP HB3 . 34531 1 275 . 1 . 1 24 24 TRP HD1 H 1 7.268 0.000 . 1 . . . . A 123 TRP HD1 . 34531 1 276 . 1 . 1 24 24 TRP HE1 H 1 10.051 0.000 . 1 . . . . A 123 TRP HE1 . 34531 1 277 . 1 . 1 24 24 TRP HE3 H 1 7.306 0.000 . 1 . . . . A 123 TRP HE3 . 34531 1 278 . 1 . 1 24 24 TRP HZ2 H 1 7.420 0.000 . 1 . . . . A 123 TRP HZ2 . 34531 1 279 . 1 . 1 24 24 TRP HZ3 H 1 6.707 0.000 . 1 . . . . A 123 TRP HZ3 . 34531 1 280 . 1 . 1 24 24 TRP HH2 H 1 7.127 0.000 . 1 . . . . A 123 TRP HH2 . 34531 1 281 . 1 . 1 24 24 TRP C C 13 174.703 0.000 . 1 . . . . A 123 TRP C . 34531 1 282 . 1 . 1 24 24 TRP CA C 13 54.134 0.000 . 1 . . . . A 123 TRP CA . 34531 1 283 . 1 . 1 24 24 TRP CB C 13 27.430 0.000 . 1 . . . . A 123 TRP CB . 34531 1 284 . 1 . 1 24 24 TRP CD1 C 13 125.622 0.000 . 1 . . . . A 123 TRP CD1 . 34531 1 285 . 1 . 1 24 24 TRP CE3 C 13 118.675 0.000 . 1 . . . . A 123 TRP CE3 . 34531 1 286 . 1 . 1 24 24 TRP CZ2 C 13 112.093 0.000 . 1 . . . . A 123 TRP CZ2 . 34531 1 287 . 1 . 1 24 24 TRP CZ3 C 13 118.178 0.000 . 1 . . . . A 123 TRP CZ3 . 34531 1 288 . 1 . 1 24 24 TRP CH2 C 13 121.693 0.000 . 1 . . . . A 123 TRP CH2 . 34531 1 289 . 1 . 1 24 24 TRP N N 15 121.871 0.000 . 1 . . . . A 123 TRP N . 34531 1 290 . 1 . 1 24 24 TRP NE1 N 15 129.152 0.000 . 1 . . . . A 123 TRP NE1 . 34531 1 291 . 1 . 1 25 25 CYS H H 1 8.933 0.000 . 1 . . . . A 124 CYS H . 34531 1 292 . 1 . 1 25 25 CYS HA H 1 4.930 0.000 . 1 . . . . A 124 CYS HA . 34531 1 293 . 1 . 1 25 25 CYS HB2 H 1 1.632 0.000 . 1 . . . . A 124 CYS HB2 . 34531 1 294 . 1 . 1 25 25 CYS HB3 H 1 3.088 0.000 . 1 . . . . A 124 CYS HB3 . 34531 1 295 . 1 . 1 25 25 CYS CA C 13 49.510 0.000 . 1 . . . . A 124 CYS CA . 34531 1 296 . 1 . 1 25 25 CYS CB C 13 33.177 0.000 . 1 . . . . A 124 CYS CB . 34531 1 297 . 1 . 1 25 25 CYS N N 15 121.266 0.000 . 1 . . . . A 124 CYS N . 34531 1 298 . 1 . 1 26 26 PRO HA H 1 4.533 0.000 . 1 . . . . A 125 PRO HA . 34531 1 299 . 1 . 1 26 26 PRO HB2 H 1 2.406 0.000 . 2 . . . . A 125 PRO HB2 . 34531 1 300 . 1 . 1 26 26 PRO HB3 H 1 2.031 0.000 . 2 . . . . A 125 PRO HB3 . 34531 1 301 . 1 . 1 26 26 PRO HG2 H 1 2.057 0.000 . 2 . . . . A 125 PRO HG2 . 34531 1 302 . 1 . 1 26 26 PRO HG3 H 1 2.057 0.000 . 2 . . . . A 125 PRO HG3 . 34531 1 303 . 1 . 1 26 26 PRO HD2 H 1 4.038 0.000 . 2 . . . . A 125 PRO HD2 . 34531 1 304 . 1 . 1 26 26 PRO HD3 H 1 3.434 0.000 . 2 . . . . A 125 PRO HD3 . 34531 1 305 . 1 . 1 26 26 PRO C C 13 175.120 0.000 . 1 . . . . A 125 PRO C . 34531 1 306 . 1 . 1 26 26 PRO CA C 13 59.845 0.000 . 1 . . . . A 125 PRO CA . 34531 1 307 . 1 . 1 26 26 PRO CB C 13 29.973 0.000 . 1 . . . . A 125 PRO CB . 34531 1 308 . 1 . 1 26 26 PRO CG C 13 24.871 0.000 . 1 . . . . A 125 PRO CG . 34531 1 309 . 1 . 1 26 26 PRO CD C 13 47.580 0.000 . 1 . . . . A 125 PRO CD . 34531 1 310 . 1 . 1 27 27 GLN H H 1 8.840 0.000 . 1 . . . . A 126 GLN H . 34531 1 311 . 1 . 1 27 27 GLN HA H 1 4.137 0.000 . 1 . . . . A 126 GLN HA . 34531 1 312 . 1 . 1 27 27 GLN HB2 H 1 2.055 0.000 . 2 . . . . A 126 GLN HB2 . 34531 1 313 . 1 . 1 27 27 GLN HB3 H 1 2.055 0.000 . 2 . . . . A 126 GLN HB3 . 34531 1 314 . 1 . 1 27 27 GLN HG2 H 1 2.424 0.000 . 2 . . . . A 126 GLN HG2 . 34531 1 315 . 1 . 1 27 27 GLN HG3 H 1 2.424 0.000 . 2 . . . . A 126 GLN HG3 . 34531 1 316 . 1 . 1 27 27 GLN HE21 H 1 7.504 0.000 . 2 . . . . A 126 GLN HE21 . 34531 1 317 . 1 . 1 27 27 GLN HE22 H 1 6.792 0.000 . 2 . . . . A 126 GLN HE22 . 34531 1 318 . 1 . 1 27 27 GLN C C 13 172.945 0.000 . 1 . . . . A 126 GLN C . 34531 1 319 . 1 . 1 27 27 GLN CA C 13 55.458 0.000 . 1 . . . . A 126 GLN CA . 34531 1 320 . 1 . 1 27 27 GLN CB C 13 25.893 0.000 . 1 . . . . A 126 GLN CB . 34531 1 321 . 1 . 1 27 27 GLN CG C 13 31.014 0.000 . 1 . . . . A 126 GLN CG . 34531 1 322 . 1 . 1 27 27 GLN N N 15 120.914 0.000 . 1 . . . . A 126 GLN N . 34531 1 323 . 1 . 1 27 27 GLN NE2 N 15 111.976 0.000 . 1 . . . . A 126 GLN NE2 . 34531 1 324 . 1 . 1 28 28 ASN H H 1 8.265 0.000 . 1 . . . . A 127 ASN H . 34531 1 325 . 1 . 1 28 28 ASN HA H 1 4.642 0.000 . 1 . . . . A 127 ASN HA . 34531 1 326 . 1 . 1 28 28 ASN HB2 H 1 3.082 0.000 . 1 . . . . A 127 ASN HB2 . 34531 1 327 . 1 . 1 28 28 ASN HB3 H 1 2.806 0.000 . 1 . . . . A 127 ASN HB3 . 34531 1 328 . 1 . 1 28 28 ASN HD21 H 1 7.527 0.000 . 2 . . . . A 127 ASN HD21 . 34531 1 329 . 1 . 1 28 28 ASN HD22 H 1 6.731 0.000 . 2 . . . . A 127 ASN HD22 . 34531 1 330 . 1 . 1 28 28 ASN C C 13 172.177 0.000 . 1 . . . . A 127 ASN C . 34531 1 331 . 1 . 1 28 28 ASN CA C 13 50.635 0.000 . 1 . . . . A 127 ASN CA . 34531 1 332 . 1 . 1 28 28 ASN CB C 13 34.188 0.000 . 1 . . . . A 127 ASN CB . 34531 1 333 . 1 . 1 28 28 ASN N N 15 114.120 0.000 . 1 . . . . A 127 ASN N . 34531 1 334 . 1 . 1 28 28 ASN ND2 N 15 111.469 0.000 . 1 . . . . A 127 ASN ND2 . 34531 1 335 . 1 . 1 29 29 THR H H 1 7.587 0.000 . 1 . . . . A 128 THR H . 34531 1 336 . 1 . 1 29 29 THR HA H 1 4.258 0.000 . 1 . . . . A 128 THR HA . 34531 1 337 . 1 . 1 29 29 THR HB H 1 4.176 0.000 . 1 . . . . A 128 THR HB . 34531 1 338 . 1 . 1 29 29 THR HG21 H 1 0.951 0.000 . 1 . . . . A 128 THR HG21 . 34531 1 339 . 1 . 1 29 29 THR HG22 H 1 0.951 0.000 . 1 . . . . A 128 THR HG22 . 34531 1 340 . 1 . 1 29 29 THR HG23 H 1 0.951 0.000 . 1 . . . . A 128 THR HG23 . 34531 1 341 . 1 . 1 29 29 THR C C 13 170.588 0.000 . 1 . . . . A 128 THR C . 34531 1 342 . 1 . 1 29 29 THR CA C 13 58.309 0.000 . 1 . . . . A 128 THR CA . 34531 1 343 . 1 . 1 29 29 THR CB C 13 69.583 0.000 . 1 . . . . A 128 THR CB . 34531 1 344 . 1 . 1 29 29 THR CG2 C 13 20.386 0.000 . 1 . . . . A 128 THR CG2 . 34531 1 345 . 1 . 1 29 29 THR N N 15 108.469 0.000 . 1 . . . . A 128 THR N . 34531 1 346 . 1 . 1 30 30 GLN H H 1 7.819 0.000 . 1 . . . . A 129 GLN H . 34531 1 347 . 1 . 1 30 30 GLN HA H 1 4.346 0.000 . 1 . . . . A 129 GLN HA . 34531 1 348 . 1 . 1 30 30 GLN HB2 H 1 1.366 0.000 . 1 . . . . A 129 GLN HB2 . 34531 1 349 . 1 . 1 30 30 GLN HB3 H 1 1.573 0.000 . 1 . . . . A 129 GLN HB3 . 34531 1 350 . 1 . 1 30 30 GLN HG2 H 1 1.910 0.000 . 2 . . . . A 129 GLN HG2 . 34531 1 351 . 1 . 1 30 30 GLN HG3 H 1 1.910 0.000 . 2 . . . . A 129 GLN HG3 . 34531 1 352 . 1 . 1 30 30 GLN HE21 H 1 7.233 0.000 . 2 . . . . A 129 GLN HE21 . 34531 1 353 . 1 . 1 30 30 GLN HE22 H 1 6.410 0.000 . 2 . . . . A 129 GLN HE22 . 34531 1 354 . 1 . 1 30 30 GLN C C 13 170.914 0.000 . 1 . . . . A 129 GLN C . 34531 1 355 . 1 . 1 30 30 GLN CA C 13 54.280 0.000 . 1 . . . . A 129 GLN CA . 34531 1 356 . 1 . 1 30 30 GLN CB C 13 29.713 0.000 . 1 . . . . A 129 GLN CB . 34531 1 357 . 1 . 1 30 30 GLN CG C 13 31.325 0.000 . 1 . . . . A 129 GLN CG . 34531 1 358 . 1 . 1 30 30 GLN N N 15 117.085 0.000 . 1 . . . . A 129 GLN N . 34531 1 359 . 1 . 1 30 30 GLN NE2 N 15 111.259 0.000 . 1 . . . . A 129 GLN NE2 . 34531 1 360 . 1 . 1 31 31 TYR H H 1 8.550 0.000 . 1 . . . . A 130 TYR H . 34531 1 361 . 1 . 1 31 31 TYR HA H 1 5.148 0.000 . 1 . . . . A 130 TYR HA . 34531 1 362 . 1 . 1 31 31 TYR HB2 H 1 2.503 0.000 . 1 . . . . A 130 TYR HB2 . 34531 1 363 . 1 . 1 31 31 TYR HB3 H 1 3.159 0.000 . 1 . . . . A 130 TYR HB3 . 34531 1 364 . 1 . 1 31 31 TYR HD1 H 1 6.746 0.000 . 1 . . . . A 130 TYR HD1 . 34531 1 365 . 1 . 1 31 31 TYR HD2 H 1 6.746 0.000 . 1 . . . . A 130 TYR HD2 . 34531 1 366 . 1 . 1 31 31 TYR HE1 H 1 6.615 0.000 . 1 . . . . A 130 TYR HE1 . 34531 1 367 . 1 . 1 31 31 TYR HE2 H 1 6.615 0.000 . 1 . . . . A 130 TYR HE2 . 34531 1 368 . 1 . 1 31 31 TYR C C 13 172.216 0.000 . 1 . . . . A 130 TYR C . 34531 1 369 . 1 . 1 31 31 TYR CA C 13 53.293 0.000 . 1 . . . . A 130 TYR CA . 34531 1 370 . 1 . 1 31 31 TYR CB C 13 41.679 0.000 . 1 . . . . A 130 TYR CB . 34531 1 371 . 1 . 1 31 31 TYR CD1 C 13 130.714 0.000 . 1 . . . . A 130 TYR CD1 . 34531 1 372 . 1 . 1 31 31 TYR CE1 C 13 115.004 0.000 . 1 . . . . A 130 TYR CE1 . 34531 1 373 . 1 . 1 31 31 TYR N N 15 117.497 0.000 . 1 . . . . A 130 TYR N . 34531 1 374 . 1 . 1 32 32 CYS H H 1 9.332 0.000 . 1 . . . . A 131 CYS H . 34531 1 375 . 1 . 1 32 32 CYS HA H 1 5.728 0.000 . 1 . . . . A 131 CYS HA . 34531 1 376 . 1 . 1 32 32 CYS HB2 H 1 3.204 0.000 . 1 . . . . A 131 CYS HB2 . 34531 1 377 . 1 . 1 32 32 CYS HB3 H 1 3.072 0.000 . 1 . . . . A 131 CYS HB3 . 34531 1 378 . 1 . 1 32 32 CYS C C 13 171.487 0.000 . 1 . . . . A 131 CYS C . 34531 1 379 . 1 . 1 32 32 CYS CA C 13 50.426 0.000 . 1 . . . . A 131 CYS CA . 34531 1 380 . 1 . 1 32 32 CYS CB C 13 35.571 0.000 . 1 . . . . A 131 CYS CB . 34531 1 381 . 1 . 1 32 32 CYS N N 15 116.484 0.000 . 1 . . . . A 131 CYS N . 34531 1 382 . 1 . 1 33 33 LEU H H 1 9.493 0.000 . 1 . . . . A 132 LEU H . 34531 1 383 . 1 . 1 33 33 LEU HA H 1 5.466 0.000 . 1 . . . . A 132 LEU HA . 34531 1 384 . 1 . 1 33 33 LEU HB2 H 1 1.659 0.000 . 1 . . . . A 132 LEU HB2 . 34531 1 385 . 1 . 1 33 33 LEU HB3 H 1 1.438 0.000 . 1 . . . . A 132 LEU HB3 . 34531 1 386 . 1 . 1 33 33 LEU HG H 1 1.461 0.000 . 1 . . . . A 132 LEU HG . 34531 1 387 . 1 . 1 33 33 LEU HD11 H 1 0.895 0.000 . 2 . . . . A 132 LEU HD11 . 34531 1 388 . 1 . 1 33 33 LEU HD12 H 1 0.895 0.000 . 2 . . . . A 132 LEU HD12 . 34531 1 389 . 1 . 1 33 33 LEU HD13 H 1 0.895 0.000 . 2 . . . . A 132 LEU HD13 . 34531 1 390 . 1 . 1 33 33 LEU HD21 H 1 0.763 0.000 . 2 . . . . A 132 LEU HD21 . 34531 1 391 . 1 . 1 33 33 LEU HD22 H 1 0.763 0.000 . 2 . . . . A 132 LEU HD22 . 34531 1 392 . 1 . 1 33 33 LEU HD23 H 1 0.763 0.000 . 2 . . . . A 132 LEU HD23 . 34531 1 393 . 1 . 1 33 33 LEU C C 13 173.362 0.000 . 1 . . . . A 132 LEU C . 34531 1 394 . 1 . 1 33 33 LEU CA C 13 51.824 0.000 . 1 . . . . A 132 LEU CA . 34531 1 395 . 1 . 1 33 33 LEU CB C 13 43.639 0.000 . 1 . . . . A 132 LEU CB . 34531 1 396 . 1 . 1 33 33 LEU CG C 13 25.397 0.000 . 1 . . . . A 132 LEU CG . 34531 1 397 . 1 . 1 33 33 LEU CD1 C 13 21.590 0.000 . 1 . . . . A 132 LEU CD1 . 34531 1 398 . 1 . 1 33 33 LEU CD2 C 13 24.065 0.000 . 1 . . . . A 132 LEU CD2 . 34531 1 399 . 1 . 1 33 33 LEU N N 15 129.221 0.000 . 1 . . . . A 132 LEU N . 34531 1 400 . 1 . 1 34 34 THR H H 1 8.893 0.000 . 1 . . . . A 133 THR H . 34531 1 401 . 1 . 1 34 34 THR HA H 1 5.039 0.000 . 1 . . . . A 133 THR HA . 34531 1 402 . 1 . 1 34 34 THR HB H 1 3.953 0.000 . 1 . . . . A 133 THR HB . 34531 1 403 . 1 . 1 34 34 THR HG21 H 1 1.067 0.000 . 1 . . . . A 133 THR HG21 . 34531 1 404 . 1 . 1 34 34 THR HG22 H 1 1.067 0.000 . 1 . . . . A 133 THR HG22 . 34531 1 405 . 1 . 1 34 34 THR HG23 H 1 1.067 0.000 . 1 . . . . A 133 THR HG23 . 34531 1 406 . 1 . 1 34 34 THR C C 13 169.624 0.000 . 1 . . . . A 133 THR C . 34531 1 407 . 1 . 1 34 34 THR CA C 13 59.772 0.000 . 1 . . . . A 133 THR CA . 34531 1 408 . 1 . 1 34 34 THR CB C 13 67.849 0.000 . 1 . . . . A 133 THR CB . 34531 1 409 . 1 . 1 34 34 THR CG2 C 13 21.351 0.000 . 1 . . . . A 133 THR CG2 . 34531 1 410 . 1 . 1 34 34 THR N N 15 122.073 0.000 . 1 . . . . A 133 THR N . 34531 1 411 . 1 . 1 35 35 VAL H H 1 9.743 0.000 . 1 . . . . A 134 VAL H . 34531 1 412 . 1 . 1 35 35 VAL HA H 1 4.575 0.000 . 1 . . . . A 134 VAL HA . 34531 1 413 . 1 . 1 35 35 VAL HB H 1 2.092 0.000 . 1 . . . . A 134 VAL HB . 34531 1 414 . 1 . 1 35 35 VAL HG11 H 1 0.911 0.000 . 2 . . . . A 134 VAL HG11 . 34531 1 415 . 1 . 1 35 35 VAL HG12 H 1 0.911 0.000 . 2 . . . . A 134 VAL HG12 . 34531 1 416 . 1 . 1 35 35 VAL HG13 H 1 0.911 0.000 . 2 . . . . A 134 VAL HG13 . 34531 1 417 . 1 . 1 35 35 VAL HG21 H 1 0.911 0.000 . 2 . . . . A 134 VAL HG21 . 34531 1 418 . 1 . 1 35 35 VAL HG22 H 1 0.911 0.000 . 2 . . . . A 134 VAL HG22 . 34531 1 419 . 1 . 1 35 35 VAL HG23 H 1 0.911 0.000 . 2 . . . . A 134 VAL HG23 . 34531 1 420 . 1 . 1 35 35 VAL C C 13 171.434 0.000 . 1 . . . . A 134 VAL C . 34531 1 421 . 1 . 1 35 35 VAL CA C 13 59.011 0.000 . 1 . . . . A 134 VAL CA . 34531 1 422 . 1 . 1 35 35 VAL CB C 13 31.212 0.000 . 1 . . . . A 134 VAL CB . 34531 1 423 . 1 . 1 35 35 VAL CG1 C 13 18.906 0.000 . 1 . . . . A 134 VAL CG1 . 34531 1 424 . 1 . 1 35 35 VAL CG2 C 13 17.332 0.000 . 1 . . . . A 134 VAL CG2 . 34531 1 425 . 1 . 1 35 35 VAL N N 15 126.725 0.000 . 1 . . . . A 134 VAL N . 34531 1 426 . 1 . 1 36 36 HIS H H 1 9.351 0.000 . 1 . . . . A 135 HIS H . 34531 1 427 . 1 . 1 36 36 HIS HA H 1 5.593 0.000 . 1 . . . . A 135 HIS HA . 34531 1 428 . 1 . 1 36 36 HIS HB2 H 1 3.357 0.000 . 1 . . . . A 135 HIS HB2 . 34531 1 429 . 1 . 1 36 36 HIS HB3 H 1 2.615 0.000 . 1 . . . . A 135 HIS HB3 . 34531 1 430 . 1 . 1 36 36 HIS C C 13 170.406 0.000 . 1 . . . . A 135 HIS C . 34531 1 431 . 1 . 1 36 36 HIS CA C 13 49.760 0.000 . 1 . . . . A 135 HIS CA . 34531 1 432 . 1 . 1 36 36 HIS CB C 13 30.596 0.000 . 1 . . . . A 135 HIS CB . 34531 1 433 . 1 . 1 36 36 HIS N N 15 127.107 0.000 . 1 . . . . A 135 HIS N . 34531 1 434 . 1 . 1 37 37 HIS H H 1 9.500 0.000 . 1 . . . . A 136 HIS H . 34531 1 435 . 1 . 1 37 37 HIS HA H 1 5.507 0.000 . 1 . . . . A 136 HIS HA . 34531 1 436 . 1 . 1 37 37 HIS HB2 H 1 3.049 0.000 . 1 . . . . A 136 HIS HB2 . 34531 1 437 . 1 . 1 37 37 HIS HB3 H 1 3.265 0.000 . 1 . . . . A 136 HIS HB3 . 34531 1 438 . 1 . 1 37 37 HIS HD2 H 1 7.086 0.000 . 1 . . . . A 136 HIS HD2 . 34531 1 439 . 1 . 1 37 37 HIS C C 13 171.825 0.000 . 1 . . . . A 136 HIS C . 34531 1 440 . 1 . 1 37 37 HIS CA C 13 51.866 0.000 . 1 . . . . A 136 HIS CA . 34531 1 441 . 1 . 1 37 37 HIS CB C 13 28.992 0.000 . 1 . . . . A 136 HIS CB . 34531 1 442 . 1 . 1 37 37 HIS CD2 C 13 117.367 0.000 . 1 . . . . A 136 HIS CD2 . 34531 1 443 . 1 . 1 37 37 HIS N N 15 127.350 0.000 . 1 . . . . A 136 HIS N . 34531 1 444 . 1 . 1 38 38 PHE H H 1 8.558 0.000 . 1 . . . . A 137 PHE H . 34531 1 445 . 1 . 1 38 38 PHE HA H 1 5.433 0.000 . 1 . . . . A 137 PHE HA . 34531 1 446 . 1 . 1 38 38 PHE HB2 H 1 2.896 0.000 . 1 . . . . A 137 PHE HB2 . 34531 1 447 . 1 . 1 38 38 PHE HB3 H 1 2.736 0.000 . 1 . . . . A 137 PHE HB3 . 34531 1 448 . 1 . 1 38 38 PHE HD1 H 1 6.236 0.000 . 1 . . . . A 137 PHE HD1 . 34531 1 449 . 1 . 1 38 38 PHE HD2 H 1 6.236 0.000 . 1 . . . . A 137 PHE HD2 . 34531 1 450 . 1 . 1 38 38 PHE HE1 H 1 6.899 0.000 . 1 . . . . A 137 PHE HE1 . 34531 1 451 . 1 . 1 38 38 PHE HE2 H 1 6.899 0.000 . 1 . . . . A 137 PHE HE2 . 34531 1 452 . 1 . 1 38 38 PHE HZ H 1 7.166 0.000 . 1 . . . . A 137 PHE HZ . 34531 1 453 . 1 . 1 38 38 PHE C C 13 171.526 0.000 . 1 . . . . A 137 PHE C . 34531 1 454 . 1 . 1 38 38 PHE CA C 13 53.122 0.000 . 1 . . . . A 137 PHE CA . 34531 1 455 . 1 . 1 38 38 PHE CB C 13 38.086 0.000 . 1 . . . . A 137 PHE CB . 34531 1 456 . 1 . 1 38 38 PHE CD1 C 13 130.019 0.000 . 1 . . . . A 137 PHE CD1 . 34531 1 457 . 1 . 1 38 38 PHE CE1 C 13 127.650 0.000 . 1 . . . . A 137 PHE CE1 . 34531 1 458 . 1 . 1 38 38 PHE CZ C 13 126.904 0.000 . 1 . . . . A 137 PHE CZ . 34531 1 459 . 1 . 1 38 38 PHE N N 15 119.206 0.000 . 1 . . . . A 137 PHE N . 34531 1 460 . 1 . 1 39 39 THR H H 1 8.695 0.000 . 1 . . . . A 138 THR H . 34531 1 461 . 1 . 1 39 39 THR HA H 1 5.012 0.000 . 1 . . . . A 138 THR HA . 34531 1 462 . 1 . 1 39 39 THR HB H 1 4.506 0.000 . 1 . . . . A 138 THR HB . 34531 1 463 . 1 . 1 39 39 THR HG21 H 1 1.165 0.000 . 1 . . . . A 138 THR HG21 . 34531 1 464 . 1 . 1 39 39 THR HG22 H 1 1.165 0.000 . 1 . . . . A 138 THR HG22 . 34531 1 465 . 1 . 1 39 39 THR HG23 H 1 1.165 0.000 . 1 . . . . A 138 THR HG23 . 34531 1 466 . 1 . 1 39 39 THR C C 13 173.388 0.000 . 1 . . . . A 138 THR C . 34531 1 467 . 1 . 1 39 39 THR CA C 13 56.874 0.000 . 1 . . . . A 138 THR CA . 34531 1 468 . 1 . 1 39 39 THR CB C 13 68.945 0.000 . 1 . . . . A 138 THR CB . 34531 1 469 . 1 . 1 39 39 THR CG2 C 13 18.680 0.000 . 1 . . . . A 138 THR CG2 . 34531 1 470 . 1 . 1 39 39 THR N N 15 111.163 0.000 . 1 . . . . A 138 THR N . 34531 1 471 . 1 . 1 40 40 SER H H 1 8.394 0.000 . 1 . . . . A 139 SER H . 34531 1 472 . 1 . 1 40 40 SER HA H 1 4.245 0.000 . 1 . . . . A 139 SER HA . 34531 1 473 . 1 . 1 40 40 SER HB2 H 1 3.806 0.000 . 2 . . . . A 139 SER HB2 . 34531 1 474 . 1 . 1 40 40 SER HB3 H 1 3.806 0.000 . 2 . . . . A 139 SER HB3 . 34531 1 475 . 1 . 1 40 40 SER CA C 13 57.269 0.000 . 1 . . . . A 139 SER CA . 34531 1 476 . 1 . 1 40 40 SER CB C 13 60.305 0.000 . 1 . . . . A 139 SER CB . 34531 1 477 . 1 . 1 40 40 SER N N 15 116.108 0.000 . 1 . . . . A 139 SER N . 34531 1 478 . 1 . 1 42 42 GLY H H 1 8.324 0.000 . 1 . . . . A 141 GLY H . 34531 1 479 . 1 . 1 42 42 GLY HA2 H 1 3.887 0.000 . 2 . . . . A 141 GLY HA2 . 34531 1 480 . 1 . 1 42 42 GLY HA3 H 1 3.887 0.000 . 2 . . . . A 141 GLY HA3 . 34531 1 481 . 1 . 1 42 42 GLY C C 13 171.226 0.000 . 1 . . . . A 141 GLY C . 34531 1 482 . 1 . 1 42 42 GLY CA C 13 42.588 0.000 . 1 . . . . A 141 GLY CA . 34531 1 483 . 1 . 1 42 42 GLY N N 15 109.455 0.000 . 1 . . . . A 141 GLY N . 34531 1 484 . 1 . 1 43 43 ARG H H 1 8.198 0.000 . 1 . . . . A 142 ARG H . 34531 1 485 . 1 . 1 43 43 ARG HA H 1 4.346 0.000 . 1 . . . . A 142 ARG HA . 34531 1 486 . 1 . 1 43 43 ARG HB2 H 1 1.811 0.000 . 1 . . . . A 142 ARG HB2 . 34531 1 487 . 1 . 1 43 43 ARG HB3 H 1 1.705 0.000 . 1 . . . . A 142 ARG HB3 . 34531 1 488 . 1 . 1 43 43 ARG HG2 H 1 1.582 0.000 . 2 . . . . A 142 ARG HG2 . 34531 1 489 . 1 . 1 43 43 ARG HG3 H 1 1.582 0.000 . 2 . . . . A 142 ARG HG3 . 34531 1 490 . 1 . 1 43 43 ARG HD2 H 1 3.111 0.000 . 2 . . . . A 142 ARG HD2 . 34531 1 491 . 1 . 1 43 43 ARG HD3 H 1 3.111 0.000 . 2 . . . . A 142 ARG HD3 . 34531 1 492 . 1 . 1 43 43 ARG HE H 1 7.530 0.000 . 1 . . . . A 142 ARG HE . 34531 1 493 . 1 . 1 43 43 ARG C C 13 173.740 0.000 . 1 . . . . A 142 ARG C . 34531 1 494 . 1 . 1 43 43 ARG CA C 13 53.323 0.000 . 1 . . . . A 142 ARG CA . 34531 1 495 . 1 . 1 43 43 ARG CB C 13 28.280 0.000 . 1 . . . . A 142 ARG CB . 34531 1 496 . 1 . 1 43 43 ARG CG C 13 24.316 0.000 . 1 . . . . A 142 ARG CG . 34531 1 497 . 1 . 1 43 43 ARG CD C 13 40.565 0.000 . 1 . . . . A 142 ARG CD . 34531 1 498 . 1 . 1 43 43 ARG N N 15 120.498 0.000 . 1 . . . . A 142 ARG N . 34531 1 499 . 1 . 1 43 43 ARG NE N 15 84.142 0.000 . 1 . . . . A 142 ARG NE . 34531 1 500 . 1 . 1 44 44 SER H H 1 8.399 0.000 . 1 . . . . A 143 SER H . 34531 1 501 . 1 . 1 44 44 SER HA H 1 4.478 0.000 . 1 . . . . A 143 SER HA . 34531 1 502 . 1 . 1 44 44 SER HB2 H 1 3.794 0.000 . 2 . . . . A 143 SER HB2 . 34531 1 503 . 1 . 1 44 44 SER HB3 H 1 3.794 0.000 . 2 . . . . A 143 SER HB3 . 34531 1 504 . 1 . 1 44 44 SER C C 13 172.138 0.000 . 1 . . . . A 143 SER C . 34531 1 505 . 1 . 1 44 44 SER CA C 13 55.610 0.000 . 1 . . . . A 143 SER CA . 34531 1 506 . 1 . 1 44 44 SER CB C 13 61.112 0.000 . 1 . . . . A 143 SER CB . 34531 1 507 . 1 . 1 44 44 SER N N 15 117.119 0.000 . 1 . . . . A 143 SER N . 34531 1 508 . 1 . 1 45 45 THR H H 1 8.189 0.000 . 1 . . . . A 144 THR H . 34531 1 509 . 1 . 1 45 45 THR HA H 1 4.377 0.000 . 1 . . . . A 144 THR HA . 34531 1 510 . 1 . 1 45 45 THR HB H 1 4.213 0.000 . 1 . . . . A 144 THR HB . 34531 1 511 . 1 . 1 45 45 THR HG21 H 1 1.147 0.000 . 1 . . . . A 144 THR HG21 . 34531 1 512 . 1 . 1 45 45 THR HG22 H 1 1.147 0.000 . 1 . . . . A 144 THR HG22 . 34531 1 513 . 1 . 1 45 45 THR HG23 H 1 1.147 0.000 . 1 . . . . A 144 THR HG23 . 34531 1 514 . 1 . 1 45 45 THR C C 13 171.799 0.000 . 1 . . . . A 144 THR C . 34531 1 515 . 1 . 1 45 45 THR CA C 13 58.949 0.000 . 1 . . . . A 144 THR CA . 34531 1 516 . 1 . 1 45 45 THR CB C 13 67.024 0.000 . 1 . . . . A 144 THR CB . 34531 1 517 . 1 . 1 45 45 THR CG2 C 13 19.051 0.000 . 1 . . . . A 144 THR CG2 . 34531 1 518 . 1 . 1 45 45 THR N N 15 115.630 0.000 . 1 . . . . A 144 THR N . 34531 1 519 . 1 . 1 46 46 SER H H 1 8.244 0.000 . 1 . . . . A 145 SER H . 34531 1 520 . 1 . 1 46 46 SER HA H 1 4.359 0.000 . 1 . . . . A 145 SER HA . 34531 1 521 . 1 . 1 46 46 SER HB2 H 1 3.737 0.000 . 2 . . . . A 145 SER HB2 . 34531 1 522 . 1 . 1 46 46 SER HB3 H 1 3.737 0.000 . 2 . . . . A 145 SER HB3 . 34531 1 523 . 1 . 1 46 46 SER CA C 13 55.686 0.000 . 1 . . . . A 145 SER CA . 34531 1 524 . 1 . 1 46 46 SER CB C 13 60.985 0.000 . 1 . . . . A 145 SER CB . 34531 1 525 . 1 . 1 46 46 SER N N 15 117.816 0.000 . 1 . . . . A 145 SER N . 34531 1 526 . 1 . 1 47 47 ILE HA H 1 5.141 0.000 . 1 . . . . A 146 ILE HA . 34531 1 527 . 1 . 1 47 47 ILE HB H 1 1.400 0.000 . 1 . . . . A 146 ILE HB . 34531 1 528 . 1 . 1 47 47 ILE HG12 H 1 1.546 0.000 . 2 . . . . A 146 ILE HG12 . 34531 1 529 . 1 . 1 47 47 ILE HG13 H 1 0.875 0.000 . 2 . . . . A 146 ILE HG13 . 34531 1 530 . 1 . 1 47 47 ILE HG21 H 1 0.748 0.000 . 1 . . . . A 146 ILE HG21 . 34531 1 531 . 1 . 1 47 47 ILE HG22 H 1 0.748 0.000 . 1 . . . . A 146 ILE HG22 . 34531 1 532 . 1 . 1 47 47 ILE HG23 H 1 0.748 0.000 . 1 . . . . A 146 ILE HG23 . 34531 1 533 . 1 . 1 47 47 ILE HD11 H 1 0.521 0.000 . 1 . . . . A 146 ILE HD11 . 34531 1 534 . 1 . 1 47 47 ILE HD12 H 1 0.521 0.000 . 1 . . . . A 146 ILE HD12 . 34531 1 535 . 1 . 1 47 47 ILE HD13 H 1 0.521 0.000 . 1 . . . . A 146 ILE HD13 . 34531 1 536 . 1 . 1 47 47 ILE C C 13 171.851 0.000 . 1 . . . . A 146 ILE C . 34531 1 537 . 1 . 1 47 47 ILE CA C 13 57.599 0.000 . 1 . . . . A 146 ILE CA . 34531 1 538 . 1 . 1 47 47 ILE CB C 13 40.110 0.000 . 1 . . . . A 146 ILE CB . 34531 1 539 . 1 . 1 47 47 ILE CG1 C 13 25.859 0.000 . 1 . . . . A 146 ILE CG1 . 34531 1 540 . 1 . 1 47 47 ILE CG2 C 13 16.125 0.000 . 1 . . . . A 146 ILE CG2 . 34531 1 541 . 1 . 1 47 47 ILE CD1 C 13 12.691 0.000 . 1 . . . . A 146 ILE CD1 . 34531 1 542 . 1 . 1 48 48 THR H H 1 9.021 0.000 . 1 . . . . A 147 THR H . 34531 1 543 . 1 . 1 48 48 THR HA H 1 4.885 0.000 . 1 . . . . A 147 THR HA . 34531 1 544 . 1 . 1 48 48 THR HB H 1 3.910 0.000 . 1 . . . . A 147 THR HB . 34531 1 545 . 1 . 1 48 48 THR HG21 H 1 1.346 0.000 . 1 . . . . A 147 THR HG21 . 34531 1 546 . 1 . 1 48 48 THR HG22 H 1 1.346 0.000 . 1 . . . . A 147 THR HG22 . 34531 1 547 . 1 . 1 48 48 THR HG23 H 1 1.346 0.000 . 1 . . . . A 147 THR HG23 . 34531 1 548 . 1 . 1 48 48 THR C C 13 169.533 0.000 . 1 . . . . A 147 THR C . 34531 1 549 . 1 . 1 48 48 THR CA C 13 58.885 0.000 . 1 . . . . A 147 THR CA . 34531 1 550 . 1 . 1 48 48 THR CB C 13 70.463 0.000 . 1 . . . . A 147 THR CB . 34531 1 551 . 1 . 1 48 48 THR CG2 C 13 18.605 0.000 . 1 . . . . A 147 THR CG2 . 34531 1 552 . 1 . 1 48 48 THR N N 15 123.341 0.000 . 1 . . . . A 147 THR N . 34531 1 553 . 1 . 1 49 49 LYS H H 1 9.053 0.000 . 1 . . . . A 148 LYS H . 34531 1 554 . 1 . 1 49 49 LYS HA H 1 5.626 0.000 . 1 . . . . A 148 LYS HA . 34531 1 555 . 1 . 1 49 49 LYS HB2 H 1 1.830 0.000 . 1 . . . . A 148 LYS HB2 . 34531 1 556 . 1 . 1 49 49 LYS HB3 H 1 1.546 0.000 . 1 . . . . A 148 LYS HB3 . 34531 1 557 . 1 . 1 49 49 LYS HG2 H 1 1.973 0.000 . 2 . . . . A 148 LYS HG2 . 34531 1 558 . 1 . 1 49 49 LYS HG3 H 1 1.378 0.000 . 2 . . . . A 148 LYS HG3 . 34531 1 559 . 1 . 1 49 49 LYS HD2 H 1 1.825 0.000 . 2 . . . . A 148 LYS HD2 . 34531 1 560 . 1 . 1 49 49 LYS HD3 H 1 1.162 0.000 . 2 . . . . A 148 LYS HD3 . 34531 1 561 . 1 . 1 49 49 LYS HE2 H 1 2.602 0.000 . 2 . . . . A 148 LYS HE2 . 34531 1 562 . 1 . 1 49 49 LYS HE3 H 1 2.602 0.000 . 2 . . . . A 148 LYS HE3 . 34531 1 563 . 1 . 1 49 49 LYS C C 13 173.414 0.000 . 1 . . . . A 148 LYS C . 34531 1 564 . 1 . 1 49 49 LYS CA C 13 52.575 0.000 . 1 . . . . A 148 LYS CA . 34531 1 565 . 1 . 1 49 49 LYS CB C 13 34.607 0.000 . 1 . . . . A 148 LYS CB . 34531 1 566 . 1 . 1 49 49 LYS CG C 13 28.118 0.000 . 1 . . . . A 148 LYS CG . 34531 1 567 . 1 . 1 49 49 LYS CD C 13 23.703 0.000 . 1 . . . . A 148 LYS CD . 34531 1 568 . 1 . 1 49 49 LYS CE C 13 39.509 0.000 . 1 . . . . A 148 LYS CE . 34531 1 569 . 1 . 1 49 49 LYS N N 15 126.964 0.000 . 1 . . . . A 148 LYS N . 34531 1 570 . 1 . 1 50 50 LYS H H 1 8.894 0.000 . 1 . . . . A 149 LYS H . 34531 1 571 . 1 . 1 50 50 LYS HA H 1 4.883 0.000 . 1 . . . . A 149 LYS HA . 34531 1 572 . 1 . 1 50 50 LYS HB2 H 1 1.929 0.000 . 1 . . . . A 149 LYS HB2 . 34531 1 573 . 1 . 1 50 50 LYS HB3 H 1 2.045 0.000 . 1 . . . . A 149 LYS HB3 . 34531 1 574 . 1 . 1 50 50 LYS HG2 H 1 1.350 0.000 . 2 . . . . A 149 LYS HG2 . 34531 1 575 . 1 . 1 50 50 LYS HG3 H 1 1.203 0.000 . 2 . . . . A 149 LYS HG3 . 34531 1 576 . 1 . 1 50 50 LYS HD2 H 1 1.793 0.000 . 2 . . . . A 149 LYS HD2 . 34531 1 577 . 1 . 1 50 50 LYS HD3 H 1 1.585 0.000 . 2 . . . . A 149 LYS HD3 . 34531 1 578 . 1 . 1 50 50 LYS HE2 H 1 2.990 0.000 . 2 . . . . A 149 LYS HE2 . 34531 1 579 . 1 . 1 50 50 LYS HE3 H 1 2.990 0.000 . 2 . . . . A 149 LYS HE3 . 34531 1 580 . 1 . 1 50 50 LYS C C 13 172.268 0.000 . 1 . . . . A 149 LYS C . 34531 1 581 . 1 . 1 50 50 LYS CA C 13 52.795 0.000 . 1 . . . . A 149 LYS CA . 34531 1 582 . 1 . 1 50 50 LYS CB C 13 32.488 0.000 . 1 . . . . A 149 LYS CB . 34531 1 583 . 1 . 1 50 50 LYS CG C 13 19.731 0.000 . 1 . . . . A 149 LYS CG . 34531 1 584 . 1 . 1 50 50 LYS CD C 13 26.009 0.000 . 1 . . . . A 149 LYS CD . 34531 1 585 . 1 . 1 50 50 LYS CE C 13 38.217 0.000 . 1 . . . . A 149 LYS CE . 34531 1 586 . 1 . 1 50 50 LYS N N 15 117.334 0.000 . 1 . . . . A 149 LYS N . 34531 1 587 . 1 . 1 51 51 CYS H H 1 8.811 0.000 . 1 . . . . A 150 CYS H . 34531 1 588 . 1 . 1 51 51 CYS HA H 1 5.401 0.000 . 1 . . . . A 150 CYS HA . 34531 1 589 . 1 . 1 51 51 CYS HB2 H 1 3.192 0.000 . 1 . . . . A 150 CYS HB2 . 34531 1 590 . 1 . 1 51 51 CYS HB3 H 1 3.111 0.000 . 1 . . . . A 150 CYS HB3 . 34531 1 591 . 1 . 1 51 51 CYS C C 13 172.815 0.000 . 1 . . . . A 150 CYS C . 34531 1 592 . 1 . 1 51 51 CYS CA C 13 55.138 0.000 . 1 . . . . A 150 CYS CA . 34531 1 593 . 1 . 1 51 51 CYS CB C 13 39.842 0.000 . 1 . . . . A 150 CYS CB . 34531 1 594 . 1 . 1 51 51 CYS N N 15 121.427 0.000 . 1 . . . . A 150 CYS N . 34531 1 595 . 1 . 1 52 52 ALA H H 1 9.787 0.000 . 1 . . . . A 151 ALA H . 34531 1 596 . 1 . 1 52 52 ALA HA H 1 5.218 0.000 . 1 . . . . A 151 ALA HA . 34531 1 597 . 1 . 1 52 52 ALA HB1 H 1 1.393 0.000 . 1 . . . . A 151 ALA HB1 . 34531 1 598 . 1 . 1 52 52 ALA HB2 H 1 1.393 0.000 . 1 . . . . A 151 ALA HB2 . 34531 1 599 . 1 . 1 52 52 ALA HB3 H 1 1.393 0.000 . 1 . . . . A 151 ALA HB3 . 34531 1 600 . 1 . 1 52 52 ALA C C 13 174.065 0.000 . 1 . . . . A 151 ALA C . 34531 1 601 . 1 . 1 52 52 ALA CA C 13 48.494 0.000 . 1 . . . . A 151 ALA CA . 34531 1 602 . 1 . 1 52 52 ALA CB C 13 23.327 0.000 . 1 . . . . A 151 ALA CB . 34531 1 603 . 1 . 1 52 52 ALA N N 15 126.520 0.000 . 1 . . . . A 151 ALA N . 34531 1 604 . 1 . 1 53 53 SER H H 1 9.350 0.000 . 1 . . . . A 152 SER H . 34531 1 605 . 1 . 1 53 53 SER HA H 1 4.884 0.000 . 1 . . . . A 152 SER HA . 34531 1 606 . 1 . 1 53 53 SER HB2 H 1 4.410 0.000 . 1 . . . . A 152 SER HB2 . 34531 1 607 . 1 . 1 53 53 SER HB3 H 1 4.114 0.000 . 1 . . . . A 152 SER HB3 . 34531 1 608 . 1 . 1 53 53 SER C C 13 172.346 0.000 . 1 . . . . A 152 SER C . 34531 1 609 . 1 . 1 53 53 SER CA C 13 54.232 0.000 . 1 . . . . A 152 SER CA . 34531 1 610 . 1 . 1 53 53 SER CB C 13 63.216 0.000 . 1 . . . . A 152 SER CB . 34531 1 611 . 1 . 1 53 53 SER N N 15 119.638 0.000 . 1 . . . . A 152 SER N . 34531 1 612 . 1 . 1 54 54 ARG H H 1 8.930 0.000 . 1 . . . . A 153 ARG H . 34531 1 613 . 1 . 1 54 54 ARG HA H 1 3.798 0.000 . 1 . . . . A 153 ARG HA . 34531 1 614 . 1 . 1 54 54 ARG HB2 H 1 1.926 0.000 . 2 . . . . A 153 ARG HB2 . 34531 1 615 . 1 . 1 54 54 ARG HB3 H 1 1.926 0.000 . 2 . . . . A 153 ARG HB3 . 34531 1 616 . 1 . 1 54 54 ARG HG2 H 1 1.605 0.000 . 2 . . . . A 153 ARG HG2 . 34531 1 617 . 1 . 1 54 54 ARG HG3 H 1 1.605 0.000 . 2 . . . . A 153 ARG HG3 . 34531 1 618 . 1 . 1 54 54 ARG HD2 H 1 3.180 0.000 . 2 . . . . A 153 ARG HD2 . 34531 1 619 . 1 . 1 54 54 ARG HD3 H 1 3.180 0.000 . 2 . . . . A 153 ARG HD3 . 34531 1 620 . 1 . 1 54 54 ARG HE H 1 7.145 0.000 . 1 . . . . A 153 ARG HE . 34531 1 621 . 1 . 1 54 54 ARG C C 13 176.631 0.000 . 1 . . . . A 153 ARG C . 34531 1 622 . 1 . 1 54 54 ARG CA C 13 57.567 0.000 . 1 . . . . A 153 ARG CA . 34531 1 623 . 1 . 1 54 54 ARG CB C 13 27.355 0.000 . 1 . . . . A 153 ARG CB . 34531 1 624 . 1 . 1 54 54 ARG CG C 13 24.788 0.000 . 1 . . . . A 153 ARG CG . 34531 1 625 . 1 . 1 54 54 ARG CD C 13 40.520 0.000 . 1 . . . . A 153 ARG CD . 34531 1 626 . 1 . 1 54 54 ARG N N 15 120.091 0.000 . 1 . . . . A 153 ARG N . 34531 1 627 . 1 . 1 54 54 ARG NE N 15 84.549 0.000 . 1 . . . . A 153 ARG NE . 34531 1 628 . 1 . 1 55 55 SER H H 1 8.402 0.000 . 1 . . . . A 154 SER H . 34531 1 629 . 1 . 1 55 55 SER HA H 1 3.955 0.000 . 1 . . . . A 154 SER HA . 34531 1 630 . 1 . 1 55 55 SER HB2 H 1 3.856 0.000 . 2 . . . . A 154 SER HB2 . 34531 1 631 . 1 . 1 55 55 SER HB3 H 1 3.856 0.000 . 2 . . . . A 154 SER HB3 . 34531 1 632 . 1 . 1 55 55 SER C C 13 174.352 0.000 . 1 . . . . A 154 SER C . 34531 1 633 . 1 . 1 55 55 SER CA C 13 58.670 0.000 . 1 . . . . A 154 SER CA . 34531 1 634 . 1 . 1 55 55 SER CB C 13 59.596 0.000 . 1 . . . . A 154 SER CB . 34531 1 635 . 1 . 1 55 55 SER N N 15 113.566 0.000 . 1 . . . . A 154 SER N . 34531 1 636 . 1 . 1 56 56 GLU H H 1 7.549 0.000 . 1 . . . . A 155 GLU H . 34531 1 637 . 1 . 1 56 56 GLU HA H 1 4.214 0.000 . 1 . . . . A 155 GLU HA . 34531 1 638 . 1 . 1 56 56 GLU HB2 H 1 2.337 0.000 . 1 . . . . A 155 GLU HB2 . 34531 1 639 . 1 . 1 56 56 GLU HB3 H 1 2.104 0.000 . 1 . . . . A 155 GLU HB3 . 34531 1 640 . 1 . 1 56 56 GLU HG2 H 1 2.356 0.000 . 2 . . . . A 155 GLU HG2 . 34531 1 641 . 1 . 1 56 56 GLU HG3 H 1 2.220 0.000 . 2 . . . . A 155 GLU HG3 . 34531 1 642 . 1 . 1 56 56 GLU C C 13 174.925 0.000 . 1 . . . . A 155 GLU C . 34531 1 643 . 1 . 1 56 56 GLU CA C 13 55.799 0.000 . 1 . . . . A 155 GLU CA . 34531 1 644 . 1 . 1 56 56 GLU CB C 13 28.262 0.000 . 1 . . . . A 155 GLU CB . 34531 1 645 . 1 . 1 56 56 GLU CG C 13 35.415 0.000 . 1 . . . . A 155 GLU CG . 34531 1 646 . 1 . 1 56 56 GLU N N 15 121.324 0.000 . 1 . . . . A 155 GLU N . 34531 1 647 . 1 . 1 57 57 CYS H H 1 7.379 0.000 . 1 . . . . A 156 CYS H . 34531 1 648 . 1 . 1 57 57 CYS HA H 1 4.313 0.000 . 1 . . . . A 156 CYS HA . 34531 1 649 . 1 . 1 57 57 CYS HB2 H 1 2.753 0.000 . 1 . . . . A 156 CYS HB2 . 34531 1 650 . 1 . 1 57 57 CYS HB3 H 1 2.364 0.000 . 1 . . . . A 156 CYS HB3 . 34531 1 651 . 1 . 1 57 57 CYS C C 13 170.848 0.000 . 1 . . . . A 156 CYS C . 34531 1 652 . 1 . 1 57 57 CYS CA C 13 52.851 0.000 . 1 . . . . A 156 CYS CA . 34531 1 653 . 1 . 1 57 57 CYS CB C 13 38.658 0.000 . 1 . . . . A 156 CYS CB . 34531 1 654 . 1 . 1 57 57 CYS N N 15 115.784 0.000 . 1 . . . . A 156 CYS N . 34531 1 655 . 1 . 1 58 58 HIS H H 1 7.361 0.000 . 1 . . . . A 157 HIS H . 34531 1 656 . 1 . 1 58 58 HIS HA H 1 4.337 0.000 . 1 . . . . A 157 HIS HA . 34531 1 657 . 1 . 1 58 58 HIS HB2 H 1 3.101 0.000 . 1 . . . . A 157 HIS HB2 . 34531 1 658 . 1 . 1 58 58 HIS HB3 H 1 2.945 0.000 . 1 . . . . A 157 HIS HB3 . 34531 1 659 . 1 . 1 58 58 HIS HD2 H 1 6.677 0.000 . 1 . . . . A 157 HIS HD2 . 34531 1 660 . 1 . 1 58 58 HIS C C 13 172.073 0.000 . 1 . . . . A 157 HIS C . 34531 1 661 . 1 . 1 58 58 HIS CA C 13 55.070 0.000 . 1 . . . . A 157 HIS CA . 34531 1 662 . 1 . 1 58 58 HIS CB C 13 26.476 0.000 . 1 . . . . A 157 HIS CB . 34531 1 663 . 1 . 1 58 58 HIS CD2 C 13 117.248 0.000 . 1 . . . . A 157 HIS CD2 . 34531 1 664 . 1 . 1 58 58 HIS N N 15 117.841 0.000 . 1 . . . . A 157 HIS N . 34531 1 665 . 1 . 1 59 59 PHE H H 1 7.669 0.000 . 1 . . . . A 158 PHE H . 34531 1 666 . 1 . 1 59 59 PHE HA H 1 4.767 0.000 . 1 . . . . A 158 PHE HA . 34531 1 667 . 1 . 1 59 59 PHE HB2 H 1 2.828 0.000 . 1 . . . . A 158 PHE HB2 . 34531 1 668 . 1 . 1 59 59 PHE HB3 H 1 2.969 0.000 . 1 . . . . A 158 PHE HB3 . 34531 1 669 . 1 . 1 59 59 PHE HD1 H 1 7.101 0.000 . 1 . . . . A 158 PHE HD1 . 34531 1 670 . 1 . 1 59 59 PHE HD2 H 1 7.101 0.000 . 1 . . . . A 158 PHE HD2 . 34531 1 671 . 1 . 1 59 59 PHE HE1 H 1 6.972 0.000 . 1 . . . . A 158 PHE HE1 . 34531 1 672 . 1 . 1 59 59 PHE HE2 H 1 6.972 0.000 . 1 . . . . A 158 PHE HE2 . 34531 1 673 . 1 . 1 59 59 PHE HZ H 1 6.952 0.000 . 1 . . . . A 158 PHE HZ . 34531 1 674 . 1 . 1 59 59 PHE C C 13 171.734 0.000 . 1 . . . . A 158 PHE C . 34531 1 675 . 1 . 1 59 59 PHE CA C 13 53.698 0.000 . 1 . . . . A 158 PHE CA . 34531 1 676 . 1 . 1 59 59 PHE CB C 13 35.792 0.000 . 1 . . . . A 158 PHE CB . 34531 1 677 . 1 . 1 59 59 PHE CD1 C 13 128.995 0.000 . 1 . . . . A 158 PHE CD1 . 34531 1 678 . 1 . 1 59 59 PHE CE1 C 13 128.068 0.000 . 1 . . . . A 158 PHE CE1 . 34531 1 679 . 1 . 1 59 59 PHE CZ C 13 126.494 0.000 . 1 . . . . A 158 PHE CZ . 34531 1 680 . 1 . 1 59 59 PHE N N 15 117.854 0.000 . 1 . . . . A 158 PHE N . 34531 1 681 . 1 . 1 60 60 VAL H H 1 7.497 0.000 . 1 . . . . A 159 VAL H . 34531 1 682 . 1 . 1 60 60 VAL HA H 1 4.162 0.000 . 1 . . . . A 159 VAL HA . 34531 1 683 . 1 . 1 60 60 VAL HB H 1 2.096 0.000 . 1 . . . . A 159 VAL HB . 34531 1 684 . 1 . 1 60 60 VAL HG11 H 1 0.741 0.000 . 2 . . . . A 159 VAL HG11 . 34531 1 685 . 1 . 1 60 60 VAL HG12 H 1 0.741 0.000 . 2 . . . . A 159 VAL HG12 . 34531 1 686 . 1 . 1 60 60 VAL HG13 H 1 0.741 0.000 . 2 . . . . A 159 VAL HG13 . 34531 1 687 . 1 . 1 60 60 VAL HG21 H 1 0.775 0.000 . 2 . . . . A 159 VAL HG21 . 34531 1 688 . 1 . 1 60 60 VAL HG22 H 1 0.775 0.000 . 2 . . . . A 159 VAL HG22 . 34531 1 689 . 1 . 1 60 60 VAL HG23 H 1 0.775 0.000 . 2 . . . . A 159 VAL HG23 . 34531 1 690 . 1 . 1 60 60 VAL C C 13 172.177 0.000 . 1 . . . . A 159 VAL C . 34531 1 691 . 1 . 1 60 60 VAL CA C 13 57.886 0.000 . 1 . . . . A 159 VAL CA . 34531 1 692 . 1 . 1 60 60 VAL CB C 13 31.442 0.000 . 1 . . . . A 159 VAL CB . 34531 1 693 . 1 . 1 60 60 VAL CG1 C 13 19.515 0.000 . 1 . . . . A 159 VAL CG1 . 34531 1 694 . 1 . 1 60 60 VAL CG2 C 13 15.354 0.000 . 1 . . . . A 159 VAL CG2 . 34531 1 695 . 1 . 1 60 60 VAL N N 15 116.852 0.000 . 1 . . . . A 159 VAL N . 34531 1 696 . 1 . 1 61 61 GLY H H 1 8.186 0.000 . 1 . . . . A 160 GLY H . 34531 1 697 . 1 . 1 61 61 GLY HA2 H 1 4.573 0.000 . 2 . . . . A 160 GLY HA2 . 34531 1 698 . 1 . 1 61 61 GLY HA3 H 1 3.888 0.000 . 2 . . . . A 160 GLY HA3 . 34531 1 699 . 1 . 1 61 61 GLY C C 13 171.565 0.000 . 1 . . . . A 160 GLY C . 34531 1 700 . 1 . 1 61 61 GLY CA C 13 40.920 0.000 . 1 . . . . A 160 GLY CA . 34531 1 701 . 1 . 1 61 61 GLY N N 15 108.968 0.000 . 1 . . . . A 160 GLY N . 34531 1 702 . 1 . 1 62 62 CYS H H 1 8.755 0.000 . 1 . . . . A 161 CYS H . 34531 1 703 . 1 . 1 62 62 CYS HA H 1 5.860 0.000 . 1 . . . . A 161 CYS HA . 34531 1 704 . 1 . 1 62 62 CYS HB2 H 1 2.895 0.000 . 1 . . . . A 161 CYS HB2 . 34531 1 705 . 1 . 1 62 62 CYS HB3 H 1 2.485 0.000 . 1 . . . . A 161 CYS HB3 . 34531 1 706 . 1 . 1 62 62 CYS C C 13 170.887 0.000 . 1 . . . . A 161 CYS C . 34531 1 707 . 1 . 1 62 62 CYS CA C 13 52.871 0.000 . 1 . . . . A 161 CYS CA . 34531 1 708 . 1 . 1 62 62 CYS CB C 13 44.994 0.000 . 1 . . . . A 161 CYS CB . 34531 1 709 . 1 . 1 62 62 CYS N N 15 117.159 0.000 . 1 . . . . A 161 CYS N . 34531 1 710 . 1 . 1 63 63 HIS H H 1 8.944 0.000 . 1 . . . . A 162 HIS H . 34531 1 711 . 1 . 1 63 63 HIS HA H 1 4.818 0.000 . 1 . . . . A 162 HIS HA . 34531 1 712 . 1 . 1 63 63 HIS HB2 H 1 3.214 0.000 . 1 . . . . A 162 HIS HB2 . 34531 1 713 . 1 . 1 63 63 HIS HB3 H 1 3.031 0.000 . 1 . . . . A 162 HIS HB3 . 34531 1 714 . 1 . 1 63 63 HIS CA C 13 51.745 0.000 . 1 . . . . A 162 HIS CA . 34531 1 715 . 1 . 1 63 63 HIS CB C 13 28.932 0.000 . 1 . . . . A 162 HIS CB . 34531 1 716 . 1 . 1 63 63 HIS N N 15 118.373 0.000 . 1 . . . . A 162 HIS N . 34531 1 717 . 1 . 1 64 64 HIS HA H 1 5.029 0.000 . 1 . . . . A 163 HIS HA . 34531 1 718 . 1 . 1 64 64 HIS HB2 H 1 3.204 0.000 . 2 . . . . A 163 HIS HB2 . 34531 1 719 . 1 . 1 64 64 HIS HB3 H 1 3.056 0.000 . 2 . . . . A 163 HIS HB3 . 34531 1 720 . 1 . 1 64 64 HIS HD2 H 1 7.162 0.000 . 1 . . . . A 163 HIS HD2 . 34531 1 721 . 1 . 1 64 64 HIS C C 13 171.916 0.000 . 1 . . . . A 163 HIS C . 34531 1 722 . 1 . 1 64 64 HIS CA C 13 52.324 0.000 . 1 . . . . A 163 HIS CA . 34531 1 723 . 1 . 1 64 64 HIS CB C 13 27.428 0.000 . 1 . . . . A 163 HIS CB . 34531 1 724 . 1 . 1 64 64 HIS CD2 C 13 118.079 0.000 . 1 . . . . A 163 HIS CD2 . 34531 1 725 . 1 . 1 65 65 SER H H 1 8.569 0.000 . 1 . . . . A 164 SER H . 34531 1 726 . 1 . 1 65 65 SER HA H 1 4.455 0.000 . 1 . . . . A 164 SER HA . 34531 1 727 . 1 . 1 65 65 SER HB2 H 1 3.795 0.000 . 1 . . . . A 164 SER HB2 . 34531 1 728 . 1 . 1 65 65 SER HB3 H 1 3.896 0.000 . 1 . . . . A 164 SER HB3 . 34531 1 729 . 1 . 1 65 65 SER C C 13 172.489 0.000 . 1 . . . . A 164 SER C . 34531 1 730 . 1 . 1 65 65 SER CA C 13 55.229 0.000 . 1 . . . . A 164 SER CA . 34531 1 731 . 1 . 1 65 65 SER CB C 13 60.973 0.000 . 1 . . . . A 164 SER CB . 34531 1 732 . 1 . 1 65 65 SER N N 15 119.478 0.000 . 1 . . . . A 164 SER N . 34531 1 733 . 1 . 1 66 66 ARG H H 1 8.738 0.000 . 1 . . . . A 165 ARG H . 34531 1 734 . 1 . 1 66 66 ARG HA H 1 4.047 0.000 . 1 . . . . A 165 ARG HA . 34531 1 735 . 1 . 1 66 66 ARG HB2 H 1 1.813 0.000 . 2 . . . . A 165 ARG HB2 . 34531 1 736 . 1 . 1 66 66 ARG HB3 H 1 1.813 0.000 . 2 . . . . A 165 ARG HB3 . 34531 1 737 . 1 . 1 66 66 ARG HG2 H 1 1.608 0.000 . 2 . . . . A 165 ARG HG2 . 34531 1 738 . 1 . 1 66 66 ARG HG3 H 1 1.608 0.000 . 2 . . . . A 165 ARG HG3 . 34531 1 739 . 1 . 1 66 66 ARG HD2 H 1 3.123 0.000 . 2 . . . . A 165 ARG HD2 . 34531 1 740 . 1 . 1 66 66 ARG HD3 H 1 3.123 0.000 . 2 . . . . A 165 ARG HD3 . 34531 1 741 . 1 . 1 66 66 ARG HE H 1 7.174 0.000 . 1 . . . . A 165 ARG HE . 34531 1 742 . 1 . 1 66 66 ARG C C 13 173.896 0.000 . 1 . . . . A 165 ARG C . 34531 1 743 . 1 . 1 66 66 ARG CA C 13 55.981 0.000 . 1 . . . . A 165 ARG CA . 34531 1 744 . 1 . 1 66 66 ARG CB C 13 27.323 0.000 . 1 . . . . A 165 ARG CB . 34531 1 745 . 1 . 1 66 66 ARG CG C 13 24.325 0.000 . 1 . . . . A 165 ARG CG . 34531 1 746 . 1 . 1 66 66 ARG CD C 13 40.497 0.000 . 1 . . . . A 165 ARG CD . 34531 1 747 . 1 . 1 66 66 ARG N N 15 123.146 0.000 . 1 . . . . A 165 ARG N . 34531 1 748 . 1 . 1 66 66 ARG NE N 15 84.321 0.000 . 1 . . . . A 165 ARG NE . 34531 1 749 . 1 . 1 67 67 ASP H H 1 8.240 0.000 . 1 . . . . A 166 ASP H . 34531 1 750 . 1 . 1 67 67 ASP HA H 1 4.554 0.000 . 1 . . . . A 166 ASP HA . 34531 1 751 . 1 . 1 67 67 ASP HB2 H 1 2.907 0.000 . 1 . . . . A 166 ASP HB2 . 34531 1 752 . 1 . 1 67 67 ASP HB3 H 1 2.698 0.000 . 1 . . . . A 166 ASP HB3 . 34531 1 753 . 1 . 1 67 67 ASP C C 13 173.036 0.000 . 1 . . . . A 166 ASP C . 34531 1 754 . 1 . 1 67 67 ASP CA C 13 51.030 0.000 . 1 . . . . A 166 ASP CA . 34531 1 755 . 1 . 1 67 67 ASP CB C 13 38.236 0.000 . 1 . . . . A 166 ASP CB . 34531 1 756 . 1 . 1 67 67 ASP N N 15 116.650 0.000 . 1 . . . . A 166 ASP N . 34531 1 757 . 1 . 1 68 68 SER H H 1 7.934 0.000 . 1 . . . . A 167 SER H . 34531 1 758 . 1 . 1 68 68 SER HA H 1 4.015 0.000 . 1 . . . . A 167 SER HA . 34531 1 759 . 1 . 1 68 68 SER HB2 H 1 3.853 0.000 . 1 . . . . A 167 SER HB2 . 34531 1 760 . 1 . 1 68 68 SER HB3 H 1 3.730 0.000 . 1 . . . . A 167 SER HB3 . 34531 1 761 . 1 . 1 68 68 SER C C 13 171.578 0.000 . 1 . . . . A 167 SER C . 34531 1 762 . 1 . 1 68 68 SER CA C 13 56.594 0.000 . 1 . . . . A 167 SER CA . 34531 1 763 . 1 . 1 68 68 SER CB C 13 60.731 0.000 . 1 . . . . A 167 SER CB . 34531 1 764 . 1 . 1 68 68 SER N N 15 111.972 0.000 . 1 . . . . A 167 SER N . 34531 1 765 . 1 . 1 69 69 GLU H H 1 8.314 0.000 . 1 . . . . A 168 GLU H . 34531 1 766 . 1 . 1 69 69 GLU HA H 1 4.271 0.000 . 1 . . . . A 168 GLU HA . 34531 1 767 . 1 . 1 69 69 GLU HB2 H 1 1.996 0.000 . 1 . . . . A 168 GLU HB2 . 34531 1 768 . 1 . 1 69 69 GLU HB3 H 1 1.856 0.000 . 1 . . . . A 168 GLU HB3 . 34531 1 769 . 1 . 1 69 69 GLU HG2 H 1 2.093 0.000 . 2 . . . . A 168 GLU HG2 . 34531 1 770 . 1 . 1 69 69 GLU HG3 H 1 2.093 0.000 . 2 . . . . A 168 GLU HG3 . 34531 1 771 . 1 . 1 69 69 GLU C C 13 173.127 0.000 . 1 . . . . A 168 GLU C . 34531 1 772 . 1 . 1 69 69 GLU CA C 13 53.976 0.000 . 1 . . . . A 168 GLU CA . 34531 1 773 . 1 . 1 69 69 GLU CB C 13 27.167 0.000 . 1 . . . . A 168 GLU CB . 34531 1 774 . 1 . 1 69 69 GLU CG C 13 33.287 0.000 . 1 . . . . A 168 GLU CG . 34531 1 775 . 1 . 1 69 69 GLU N N 15 120.093 0.000 . 1 . . . . A 168 GLU N . 34531 1 776 . 1 . 1 70 70 HIS H H 1 7.904 0.000 . 1 . . . . A 169 HIS H . 34531 1 777 . 1 . 1 70 70 HIS HA H 1 4.831 0.000 . 1 . . . . A 169 HIS HA . 34531 1 778 . 1 . 1 70 70 HIS HB2 H 1 3.020 0.000 . 2 . . . . A 169 HIS HB2 . 34531 1 779 . 1 . 1 70 70 HIS HB3 H 1 3.020 0.000 . 2 . . . . A 169 HIS HB3 . 34531 1 780 . 1 . 1 70 70 HIS HD2 H 1 7.035 0.000 . 1 . . . . A 169 HIS HD2 . 34531 1 781 . 1 . 1 70 70 HIS C C 13 171.539 0.000 . 1 . . . . A 169 HIS C . 34531 1 782 . 1 . 1 70 70 HIS CA C 13 53.138 0.000 . 1 . . . . A 169 HIS CA . 34531 1 783 . 1 . 1 70 70 HIS CB C 13 28.653 0.000 . 1 . . . . A 169 HIS CB . 34531 1 784 . 1 . 1 70 70 HIS CD2 C 13 117.173 0.000 . 1 . . . . A 169 HIS CD2 . 34531 1 785 . 1 . 1 70 70 HIS N N 15 117.367 0.000 . 1 . . . . A 169 HIS N . 34531 1 786 . 1 . 1 71 71 THR H H 1 8.499 0.000 . 1 . . . . A 170 THR H . 34531 1 787 . 1 . 1 71 71 THR HA H 1 4.382 0.000 . 1 . . . . A 170 THR HA . 34531 1 788 . 1 . 1 71 71 THR HB H 1 2.210 0.000 . 1 . . . . A 170 THR HB . 34531 1 789 . 1 . 1 71 71 THR HG21 H 1 0.706 0.000 . 1 . . . . A 170 THR HG21 . 34531 1 790 . 1 . 1 71 71 THR HG22 H 1 0.706 0.000 . 1 . . . . A 170 THR HG22 . 34531 1 791 . 1 . 1 71 71 THR HG23 H 1 0.706 0.000 . 1 . . . . A 170 THR HG23 . 34531 1 792 . 1 . 1 71 71 THR C C 13 168.335 0.000 . 1 . . . . A 170 THR C . 34531 1 793 . 1 . 1 71 71 THR CA C 13 59.460 0.000 . 1 . . . . A 170 THR CA . 34531 1 794 . 1 . 1 71 71 THR CB C 13 67.792 0.000 . 1 . . . . A 170 THR CB . 34531 1 795 . 1 . 1 71 71 THR CG2 C 13 20.750 0.000 . 1 . . . . A 170 THR CG2 . 34531 1 796 . 1 . 1 71 71 THR N N 15 121.294 0.000 . 1 . . . . A 170 THR N . 34531 1 797 . 1 . 1 72 72 GLU H H 1 8.234 0.000 . 1 . . . . A 171 GLU H . 34531 1 798 . 1 . 1 72 72 GLU HA H 1 4.934 0.000 . 1 . . . . A 171 GLU HA . 34531 1 799 . 1 . 1 72 72 GLU HB2 H 1 1.648 0.000 . 2 . . . . A 171 GLU HB2 . 34531 1 800 . 1 . 1 72 72 GLU HB3 H 1 1.648 0.000 . 2 . . . . A 171 GLU HB3 . 34531 1 801 . 1 . 1 72 72 GLU HG2 H 1 1.409 0.000 . 2 . . . . A 171 GLU HG2 . 34531 1 802 . 1 . 1 72 72 GLU HG3 H 1 1.409 0.000 . 2 . . . . A 171 GLU HG3 . 34531 1 803 . 1 . 1 72 72 GLU C C 13 173.114 0.000 . 1 . . . . A 171 GLU C . 34531 1 804 . 1 . 1 72 72 GLU CA C 13 51.316 0.000 . 1 . . . . A 171 GLU CA . 34531 1 805 . 1 . 1 72 72 GLU CB C 13 30.381 0.000 . 1 . . . . A 171 GLU CB . 34531 1 806 . 1 . 1 72 72 GLU N N 15 124.872 0.000 . 1 . . . . A 171 GLU N . 34531 1 807 . 1 . 1 73 73 CYS H H 1 9.268 0.000 . 1 . . . . A 172 CYS H . 34531 1 808 . 1 . 1 73 73 CYS HA H 1 5.711 0.000 . 1 . . . . A 172 CYS HA . 34531 1 809 . 1 . 1 73 73 CYS HB2 H 1 2.923 0.000 . 1 . . . . A 172 CYS HB2 . 34531 1 810 . 1 . 1 73 73 CYS HB3 H 1 2.721 0.000 . 1 . . . . A 172 CYS HB3 . 34531 1 811 . 1 . 1 73 73 CYS C C 13 170.275 0.000 . 1 . . . . A 172 CYS C . 34531 1 812 . 1 . 1 73 73 CYS CA C 13 52.478 0.000 . 1 . . . . A 172 CYS CA . 34531 1 813 . 1 . 1 73 73 CYS CB C 13 44.695 0.000 . 1 . . . . A 172 CYS CB . 34531 1 814 . 1 . 1 73 73 CYS N N 15 123.751 0.000 . 1 . . . . A 172 CYS N . 34531 1 815 . 1 . 1 74 74 ARG H H 1 8.817 0.000 . 1 . . . . A 173 ARG H . 34531 1 816 . 1 . 1 74 74 ARG HA H 1 5.712 0.000 . 1 . . . . A 173 ARG HA . 34531 1 817 . 1 . 1 74 74 ARG HB2 H 1 1.746 0.000 . 1 . . . . A 173 ARG HB2 . 34531 1 818 . 1 . 1 74 74 ARG HB3 H 1 1.821 0.000 . 1 . . . . A 173 ARG HB3 . 34531 1 819 . 1 . 1 74 74 ARG HG2 H 1 1.593 0.000 . 2 . . . . A 173 ARG HG2 . 34531 1 820 . 1 . 1 74 74 ARG HG3 H 1 1.593 0.000 . 2 . . . . A 173 ARG HG3 . 34531 1 821 . 1 . 1 74 74 ARG HD2 H 1 3.186 0.000 . 2 . . . . A 173 ARG HD2 . 34531 1 822 . 1 . 1 74 74 ARG HD3 H 1 3.069 0.000 . 2 . . . . A 173 ARG HD3 . 34531 1 823 . 1 . 1 74 74 ARG HE H 1 7.190 0.000 . 1 . . . . A 173 ARG HE . 34531 1 824 . 1 . 1 74 74 ARG C C 13 172.567 0.000 . 1 . . . . A 173 ARG C . 34531 1 825 . 1 . 1 74 74 ARG CA C 13 51.479 0.000 . 1 . . . . A 173 ARG CA . 34531 1 826 . 1 . 1 74 74 ARG CB C 13 32.424 0.000 . 1 . . . . A 173 ARG CB . 34531 1 827 . 1 . 1 74 74 ARG CG C 13 26.260 0.000 . 1 . . . . A 173 ARG CG . 34531 1 828 . 1 . 1 74 74 ARG CD C 13 40.879 0.000 . 1 . . . . A 173 ARG CD . 34531 1 829 . 1 . 1 74 74 ARG N N 15 121.308 0.000 . 1 . . . . A 173 ARG N . 34531 1 830 . 1 . 1 74 74 ARG NE N 15 84.416 0.000 . 1 . . . . A 173 ARG NE . 34531 1 831 . 1 . 1 75 75 SER H H 1 9.083 0.000 . 1 . . . . A 174 SER H . 34531 1 832 . 1 . 1 75 75 SER HA H 1 4.768 0.000 . 1 . . . . A 174 SER HA . 34531 1 833 . 1 . 1 75 75 SER HB2 H 1 3.682 0.000 . 1 . . . . A 174 SER HB2 . 34531 1 834 . 1 . 1 75 75 SER HB3 H 1 4.012 0.000 . 1 . . . . A 174 SER HB3 . 34531 1 835 . 1 . 1 75 75 SER C C 13 169.754 0.000 . 1 . . . . A 174 SER C . 34531 1 836 . 1 . 1 75 75 SER CA C 13 53.925 0.000 . 1 . . . . A 174 SER CA . 34531 1 837 . 1 . 1 75 75 SER CB C 13 64.052 0.000 . 1 . . . . A 174 SER CB . 34531 1 838 . 1 . 1 75 75 SER N N 15 115.924 0.000 . 1 . . . . A 174 SER N . 34531 1 839 . 1 . 1 76 76 CYS H H 1 8.445 0.000 . 1 . . . . A 175 CYS H . 34531 1 840 . 1 . 1 76 76 CYS HA H 1 5.908 0.000 . 1 . . . . A 175 CYS HA . 34531 1 841 . 1 . 1 76 76 CYS HB2 H 1 3.073 0.000 . 1 . . . . A 175 CYS HB2 . 34531 1 842 . 1 . 1 76 76 CYS HB3 H 1 2.487 0.000 . 1 . . . . A 175 CYS HB3 . 34531 1 843 . 1 . 1 76 76 CYS C C 13 169.715 0.000 . 1 . . . . A 175 CYS C . 34531 1 844 . 1 . 1 76 76 CYS CA C 13 52.427 0.000 . 1 . . . . A 175 CYS CA . 34531 1 845 . 1 . 1 76 76 CYS CB C 13 46.621 0.000 . 1 . . . . A 175 CYS CB . 34531 1 846 . 1 . 1 76 76 CYS N N 15 117.760 0.000 . 1 . . . . A 175 CYS N . 34531 1 847 . 1 . 1 77 77 CYS H H 1 8.928 0.000 . 1 . . . . A 176 CYS H . 34531 1 848 . 1 . 1 77 77 CYS HA H 1 5.204 0.000 . 1 . . . . A 176 CYS HA . 34531 1 849 . 1 . 1 77 77 CYS HB2 H 1 3.438 0.000 . 1 . . . . A 176 CYS HB2 . 34531 1 850 . 1 . 1 77 77 CYS HB3 H 1 3.087 0.000 . 1 . . . . A 176 CYS HB3 . 34531 1 851 . 1 . 1 77 77 CYS C C 13 168.908 0.000 . 1 . . . . A 176 CYS C . 34531 1 852 . 1 . 1 77 77 CYS CA C 13 50.338 0.000 . 1 . . . . A 176 CYS CA . 34531 1 853 . 1 . 1 77 77 CYS CB C 13 41.788 0.000 . 1 . . . . A 176 CYS CB . 34531 1 854 . 1 . 1 77 77 CYS N N 15 115.991 0.000 . 1 . . . . A 176 CYS N . 34531 1 855 . 1 . 1 78 78 GLU H H 1 8.892 0.000 . 1 . . . . A 177 GLU H . 34531 1 856 . 1 . 1 78 78 GLU HA H 1 4.800 0.000 . 1 . . . . A 177 GLU HA . 34531 1 857 . 1 . 1 78 78 GLU HB2 H 1 2.020 0.000 . 1 . . . . A 177 GLU HB2 . 34531 1 858 . 1 . 1 78 78 GLU HB3 H 1 1.844 0.000 . 1 . . . . A 177 GLU HB3 . 34531 1 859 . 1 . 1 78 78 GLU HG2 H 1 2.021 0.000 . 2 . . . . A 177 GLU HG2 . 34531 1 860 . 1 . 1 78 78 GLU HG3 H 1 2.146 0.000 . 2 . . . . A 177 GLU HG3 . 34531 1 861 . 1 . 1 78 78 GLU C C 13 172.242 0.000 . 1 . . . . A 177 GLU C . 34531 1 862 . 1 . 1 78 78 GLU CA C 13 51.983 0.000 . 1 . . . . A 177 GLU CA . 34531 1 863 . 1 . 1 78 78 GLU CB C 13 30.197 0.000 . 1 . . . . A 177 GLU CB . 34531 1 864 . 1 . 1 78 78 GLU CG C 13 34.055 0.000 . 1 . . . . A 177 GLU CG . 34531 1 865 . 1 . 1 78 78 GLU N N 15 121.837 0.000 . 1 . . . . A 177 GLU N . 34531 1 866 . 1 . 1 79 79 GLY H H 1 8.144 0.000 . 1 . . . . A 178 GLY H . 34531 1 867 . 1 . 1 79 79 GLY HA2 H 1 4.385 0.000 . 2 . . . . A 178 GLY HA2 . 34531 1 868 . 1 . 1 79 79 GLY HA3 H 1 3.480 0.000 . 2 . . . . A 178 GLY HA3 . 34531 1 869 . 1 . 1 79 79 GLY C C 13 169.715 0.000 . 1 . . . . A 178 GLY C . 34531 1 870 . 1 . 1 79 79 GLY CA C 13 40.809 0.000 . 1 . . . . A 178 GLY CA . 34531 1 871 . 1 . 1 79 79 GLY N N 15 114.578 0.000 . 1 . . . . A 178 GLY N . 34531 1 872 . 1 . 1 80 80 MET H H 1 8.129 0.000 . 1 . . . . A 179 MET H . 34531 1 873 . 1 . 1 80 80 MET HA H 1 4.350 0.000 . 1 . . . . A 179 MET HA . 34531 1 874 . 1 . 1 80 80 MET HB2 H 1 2.003 0.000 . 1 . . . . A 179 MET HB2 . 34531 1 875 . 1 . 1 80 80 MET HB3 H 1 2.110 0.000 . 1 . . . . A 179 MET HB3 . 34531 1 876 . 1 . 1 80 80 MET HG2 H 1 2.835 0.000 . 2 . . . . A 179 MET HG2 . 34531 1 877 . 1 . 1 80 80 MET HG3 H 1 2.622 0.000 . 2 . . . . A 179 MET HG3 . 34531 1 878 . 1 . 1 80 80 MET HE1 H 1 2.195 0.000 . 1 . . . . A 179 MET HE1 . 34531 1 879 . 1 . 1 80 80 MET HE2 H 1 2.195 0.000 . 1 . . . . A 179 MET HE2 . 34531 1 880 . 1 . 1 80 80 MET HE3 H 1 2.195 0.000 . 1 . . . . A 179 MET HE3 . 34531 1 881 . 1 . 1 80 80 MET C C 13 173.896 0.000 . 1 . . . . A 179 MET C . 34531 1 882 . 1 . 1 80 80 MET CA C 13 53.593 0.000 . 1 . . . . A 179 MET CA . 34531 1 883 . 1 . 1 80 80 MET CB C 13 29.507 0.000 . 1 . . . . A 179 MET CB . 34531 1 884 . 1 . 1 80 80 MET CG C 13 29.613 0.000 . 1 . . . . A 179 MET CG . 34531 1 885 . 1 . 1 80 80 MET CE C 13 14.446 0.000 . 1 . . . . A 179 MET CE . 34531 1 886 . 1 . 1 80 80 MET N N 15 118.658 0.000 . 1 . . . . A 179 MET N . 34531 1 887 . 1 . 1 81 81 ILE H H 1 9.244 0.000 . 1 . . . . A 180 ILE H . 34531 1 888 . 1 . 1 81 81 ILE HA H 1 3.345 0.000 . 1 . . . . A 180 ILE HA . 34531 1 889 . 1 . 1 81 81 ILE HB H 1 1.649 0.000 . 1 . . . . A 180 ILE HB . 34531 1 890 . 1 . 1 81 81 ILE HG12 H 1 1.507 0.000 . 2 . . . . A 180 ILE HG12 . 34531 1 891 . 1 . 1 81 81 ILE HG13 H 1 0.405 0.000 . 2 . . . . A 180 ILE HG13 . 34531 1 892 . 1 . 1 81 81 ILE HG21 H 1 0.024 0.000 . 1 . . . . A 180 ILE HG21 . 34531 1 893 . 1 . 1 81 81 ILE HG22 H 1 0.024 0.000 . 1 . . . . A 180 ILE HG22 . 34531 1 894 . 1 . 1 81 81 ILE HG23 H 1 0.024 0.000 . 1 . . . . A 180 ILE HG23 . 34531 1 895 . 1 . 1 81 81 ILE HD11 H 1 0.599 0.000 . 1 . . . . A 180 ILE HD11 . 34531 1 896 . 1 . 1 81 81 ILE HD12 H 1 0.599 0.000 . 1 . . . . A 180 ILE HD12 . 34531 1 897 . 1 . 1 81 81 ILE HD13 H 1 0.599 0.000 . 1 . . . . A 180 ILE HD13 . 34531 1 898 . 1 . 1 81 81 ILE C C 13 172.281 0.000 . 1 . . . . A 180 ILE C . 34531 1 899 . 1 . 1 81 81 ILE CA C 13 59.924 0.000 . 1 . . . . A 180 ILE CA . 34531 1 900 . 1 . 1 81 81 ILE CB C 13 34.689 0.000 . 1 . . . . A 180 ILE CB . 34531 1 901 . 1 . 1 81 81 ILE CG1 C 13 24.224 0.000 . 1 . . . . A 180 ILE CG1 . 34531 1 902 . 1 . 1 81 81 ILE CG2 C 13 15.668 0.000 . 1 . . . . A 180 ILE CG2 . 34531 1 903 . 1 . 1 81 81 ILE CD1 C 13 11.089 0.000 . 1 . . . . A 180 ILE CD1 . 34531 1 904 . 1 . 1 81 81 ILE N N 15 118.658 0.000 . 1 . . . . A 180 ILE N . 34531 1 905 . 1 . 1 82 82 CYS H H 1 7.065 0.000 . 1 . . . . A 181 CYS H . 34531 1 906 . 1 . 1 82 82 CYS HA H 1 4.349 0.000 . 1 . . . . A 181 CYS HA . 34531 1 907 . 1 . 1 82 82 CYS HB2 H 1 3.326 0.000 . 1 . . . . A 181 CYS HB2 . 34531 1 908 . 1 . 1 82 82 CYS HB3 H 1 2.678 0.000 . 1 . . . . A 181 CYS HB3 . 34531 1 909 . 1 . 1 82 82 CYS C C 13 173.414 0.000 . 1 . . . . A 181 CYS C . 34531 1 910 . 1 . 1 82 82 CYS CA C 13 54.181 0.000 . 1 . . . . A 181 CYS CA . 34531 1 911 . 1 . 1 82 82 CYS CB C 13 39.170 0.000 . 1 . . . . A 181 CYS CB . 34531 1 912 . 1 . 1 82 82 CYS N N 15 111.445 0.000 . 1 . . . . A 181 CYS N . 34531 1 913 . 1 . 1 83 83 ASN H H 1 9.031 0.000 . 1 . . . . A 182 ASN H . 34531 1 914 . 1 . 1 83 83 ASN HA H 1 4.723 0.000 . 1 . . . . A 182 ASN HA . 34531 1 915 . 1 . 1 83 83 ASN HB2 H 1 3.040 0.000 . 1 . . . . A 182 ASN HB2 . 34531 1 916 . 1 . 1 83 83 ASN HB3 H 1 2.496 0.000 . 1 . . . . A 182 ASN HB3 . 34531 1 917 . 1 . 1 83 83 ASN HD21 H 1 6.025 0.000 . 1 . . . . A 182 ASN HD21 . 34531 1 918 . 1 . 1 83 83 ASN HD22 H 1 7.993 0.000 . 1 . . . . A 182 ASN HD22 . 34531 1 919 . 1 . 1 83 83 ASN C C 13 171.981 0.000 . 1 . . . . A 182 ASN C . 34531 1 920 . 1 . 1 83 83 ASN CA C 13 50.293 0.000 . 1 . . . . A 182 ASN CA . 34531 1 921 . 1 . 1 83 83 ASN CB C 13 32.667 0.000 . 1 . . . . A 182 ASN CB . 34531 1 922 . 1 . 1 83 83 ASN N N 15 121.905 0.000 . 1 . . . . A 182 ASN N . 34531 1 923 . 1 . 1 83 83 ASN ND2 N 15 110.341 0.000 . 1 . . . . A 182 ASN ND2 . 34531 1 924 . 1 . 1 84 84 VAL H H 1 7.545 0.000 . 1 . . . . A 183 VAL H . 34531 1 925 . 1 . 1 84 84 VAL HA H 1 3.366 0.000 . 1 . . . . A 183 VAL HA . 34531 1 926 . 1 . 1 84 84 VAL HB H 1 2.061 0.000 . 1 . . . . A 183 VAL HB . 34531 1 927 . 1 . 1 84 84 VAL HG11 H 1 0.941 0.000 . 2 . . . . A 183 VAL HG11 . 34531 1 928 . 1 . 1 84 84 VAL HG12 H 1 0.941 0.000 . 2 . . . . A 183 VAL HG12 . 34531 1 929 . 1 . 1 84 84 VAL HG13 H 1 0.941 0.000 . 2 . . . . A 183 VAL HG13 . 34531 1 930 . 1 . 1 84 84 VAL HG21 H 1 0.861 0.000 . 2 . . . . A 183 VAL HG21 . 34531 1 931 . 1 . 1 84 84 VAL HG22 H 1 0.861 0.000 . 2 . . . . A 183 VAL HG22 . 34531 1 932 . 1 . 1 84 84 VAL HG23 H 1 0.861 0.000 . 2 . . . . A 183 VAL HG23 . 34531 1 933 . 1 . 1 84 84 VAL C C 13 173.857 0.000 . 1 . . . . A 183 VAL C . 34531 1 934 . 1 . 1 84 84 VAL CA C 13 62.692 0.000 . 1 . . . . A 183 VAL CA . 34531 1 935 . 1 . 1 84 84 VAL CB C 13 30.259 0.000 . 1 . . . . A 183 VAL CB . 34531 1 936 . 1 . 1 84 84 VAL CG1 C 13 19.100 0.000 . 1 . . . . A 183 VAL CG1 . 34531 1 937 . 1 . 1 84 84 VAL CG2 C 13 17.770 0.000 . 1 . . . . A 183 VAL CG2 . 34531 1 938 . 1 . 1 84 84 VAL N N 15 120.708 0.000 . 1 . . . . A 183 VAL N . 34531 1 939 . 1 . 1 85 85 GLU H H 1 8.307 0.000 . 1 . . . . A 184 GLU H . 34531 1 940 . 1 . 1 85 85 GLU HA H 1 4.313 0.000 . 1 . . . . A 184 GLU HA . 34531 1 941 . 1 . 1 85 85 GLU HB2 H 1 1.685 0.000 . 1 . . . . A 184 GLU HB2 . 34531 1 942 . 1 . 1 85 85 GLU HB3 H 1 1.977 0.000 . 1 . . . . A 184 GLU HB3 . 34531 1 943 . 1 . 1 85 85 GLU HG2 H 1 2.242 0.000 . 2 . . . . A 184 GLU HG2 . 34531 1 944 . 1 . 1 85 85 GLU HG3 H 1 2.079 0.000 . 2 . . . . A 184 GLU HG3 . 34531 1 945 . 1 . 1 85 85 GLU C C 13 172.971 0.000 . 1 . . . . A 184 GLU C . 34531 1 946 . 1 . 1 85 85 GLU CA C 13 51.979 0.000 . 1 . . . . A 184 GLU CA . 34531 1 947 . 1 . 1 85 85 GLU CB C 13 28.150 0.000 . 1 . . . . A 184 GLU CB . 34531 1 948 . 1 . 1 85 85 GLU CG C 13 32.937 0.000 . 1 . . . . A 184 GLU CG . 34531 1 949 . 1 . 1 85 85 GLU N N 15 118.964 0.000 . 1 . . . . A 184 GLU N . 34531 1 950 . 1 . 1 86 86 LEU H H 1 8.239 0.000 . 1 . . . . A 185 LEU H . 34531 1 951 . 1 . 1 86 86 LEU HA H 1 4.426 0.000 . 1 . . . . A 185 LEU HA . 34531 1 952 . 1 . 1 86 86 LEU HB2 H 1 1.232 0.000 . 2 . . . . A 185 LEU HB2 . 34531 1 953 . 1 . 1 86 86 LEU HB3 H 1 1.232 0.000 . 2 . . . . A 185 LEU HB3 . 34531 1 954 . 1 . 1 86 86 LEU HG H 1 1.188 0.000 . 1 . . . . A 185 LEU HG . 34531 1 955 . 1 . 1 86 86 LEU HD11 H 1 0.342 0.000 . 2 . . . . A 185 LEU HD11 . 34531 1 956 . 1 . 1 86 86 LEU HD12 H 1 0.342 0.000 . 2 . . . . A 185 LEU HD12 . 34531 1 957 . 1 . 1 86 86 LEU HD13 H 1 0.342 0.000 . 2 . . . . A 185 LEU HD13 . 34531 1 958 . 1 . 1 86 86 LEU HD21 H 1 0.171 0.000 . 2 . . . . A 185 LEU HD21 . 34531 1 959 . 1 . 1 86 86 LEU HD22 H 1 0.171 0.000 . 2 . . . . A 185 LEU HD22 . 34531 1 960 . 1 . 1 86 86 LEU HD23 H 1 0.171 0.000 . 2 . . . . A 185 LEU HD23 . 34531 1 961 . 1 . 1 86 86 LEU CA C 13 48.970 0.000 . 1 . . . . A 185 LEU CA . 34531 1 962 . 1 . 1 86 86 LEU CB C 13 39.298 0.000 . 1 . . . . A 185 LEU CB . 34531 1 963 . 1 . 1 86 86 LEU CG C 13 23.041 0.000 . 1 . . . . A 185 LEU CG . 34531 1 964 . 1 . 1 86 86 LEU CD1 C 13 21.324 0.000 . 1 . . . . A 185 LEU CD1 . 34531 1 965 . 1 . 1 86 86 LEU CD2 C 13 22.049 0.000 . 1 . . . . A 185 LEU CD2 . 34531 1 966 . 1 . 1 86 86 LEU N N 15 118.861 0.000 . 1 . . . . A 185 LEU N . 34531 1 967 . 1 . 1 87 87 PRO HA H 1 4.430 0.000 . 1 . . . . A 186 PRO HA . 34531 1 968 . 1 . 1 87 87 PRO HB2 H 1 2.230 0.000 . 2 . . . . A 186 PRO HB2 . 34531 1 969 . 1 . 1 87 87 PRO HB3 H 1 1.871 0.000 . 2 . . . . A 186 PRO HB3 . 34531 1 970 . 1 . 1 87 87 PRO HG2 H 1 1.959 0.000 . 2 . . . . A 186 PRO HG2 . 34531 1 971 . 1 . 1 87 87 PRO HG3 H 1 1.959 0.000 . 2 . . . . A 186 PRO HG3 . 34531 1 972 . 1 . 1 87 87 PRO HD2 H 1 3.764 0.000 . 2 . . . . A 186 PRO HD2 . 34531 1 973 . 1 . 1 87 87 PRO HD3 H 1 3.567 0.000 . 2 . . . . A 186 PRO HD3 . 34531 1 974 . 1 . 1 87 87 PRO C C 13 174.417 0.000 . 1 . . . . A 186 PRO C . 34531 1 975 . 1 . 1 87 87 PRO CA C 13 60.420 0.000 . 1 . . . . A 186 PRO CA . 34531 1 976 . 1 . 1 87 87 PRO CB C 13 29.260 0.000 . 1 . . . . A 186 PRO CB . 34531 1 977 . 1 . 1 87 87 PRO CG C 13 24.658 0.000 . 1 . . . . A 186 PRO CG . 34531 1 978 . 1 . 1 87 87 PRO CD C 13 47.795 0.000 . 1 . . . . A 186 PRO CD . 34531 1 979 . 1 . 1 88 88 THR H H 1 8.063 0.000 . 1 . . . . A 187 THR H . 34531 1 980 . 1 . 1 88 88 THR HA H 1 4.218 0.000 . 1 . . . . A 187 THR HA . 34531 1 981 . 1 . 1 88 88 THR HB H 1 4.140 0.000 . 1 . . . . A 187 THR HB . 34531 1 982 . 1 . 1 88 88 THR HG21 H 1 1.118 0.000 . 1 . . . . A 187 THR HG21 . 34531 1 983 . 1 . 1 88 88 THR HG22 H 1 1.118 0.000 . 1 . . . . A 187 THR HG22 . 34531 1 984 . 1 . 1 88 88 THR HG23 H 1 1.118 0.000 . 1 . . . . A 187 THR HG23 . 34531 1 985 . 1 . 1 88 88 THR C C 13 171.643 0.000 . 1 . . . . A 187 THR C . 34531 1 986 . 1 . 1 88 88 THR CA C 13 59.136 0.000 . 1 . . . . A 187 THR CA . 34531 1 987 . 1 . 1 88 88 THR CB C 13 67.009 0.000 . 1 . . . . A 187 THR CB . 34531 1 988 . 1 . 1 88 88 THR CG2 C 13 18.786 0.000 . 1 . . . . A 187 THR CG2 . 34531 1 989 . 1 . 1 88 88 THR N N 15 113.257 0.000 . 1 . . . . A 187 THR N . 34531 1 990 . 1 . 1 89 89 ASN H H 1 8.262 0.000 . 1 . . . . A 188 ASN H . 34531 1 991 . 1 . 1 89 89 ASN HA H 1 4.644 0.000 . 1 . . . . A 188 ASN HA . 34531 1 992 . 1 . 1 89 89 ASN HB2 H 1 2.880 0.000 . 1 . . . . A 188 ASN HB2 . 34531 1 993 . 1 . 1 89 89 ASN HB3 H 1 2.724 0.000 . 1 . . . . A 188 ASN HB3 . 34531 1 994 . 1 . 1 89 89 ASN HD21 H 1 7.523 0.000 . 2 . . . . A 188 ASN HD21 . 34531 1 995 . 1 . 1 89 89 ASN HD22 H 1 6.835 0.000 . 2 . . . . A 188 ASN HD22 . 34531 1 996 . 1 . 1 89 89 ASN CA C 13 50.484 0.000 . 1 . . . . A 188 ASN CA . 34531 1 997 . 1 . 1 89 89 ASN CB C 13 36.045 0.000 . 1 . . . . A 188 ASN CB . 34531 1 998 . 1 . 1 89 89 ASN N N 15 120.150 0.000 . 1 . . . . A 188 ASN N . 34531 1 999 . 1 . 1 89 89 ASN ND2 N 15 112.552 0.000 . 1 . . . . A 188 ASN ND2 . 34531 1 1000 . 1 . 1 90 90 HIS H H 1 8.370 0.000 . 1 . . . . A 189 HIS H . 34531 1 1001 . 1 . 1 90 90 HIS HA H 1 4.555 0.000 . 1 . . . . A 189 HIS HA . 34531 1 1002 . 1 . 1 90 90 HIS HB2 H 1 3.144 0.000 . 1 . . . . A 189 HIS HB2 . 34531 1 1003 . 1 . 1 90 90 HIS HB3 H 1 3.198 0.000 . 1 . . . . A 189 HIS HB3 . 34531 1 1004 . 1 . 1 90 90 HIS C C 13 171.916 0.000 . 1 . . . . A 189 HIS C . 34531 1 1005 . 1 . 1 90 90 HIS CA C 13 53.064 0.000 . 1 . . . . A 189 HIS CA . 34531 1 1006 . 1 . 1 90 90 HIS CB C 13 26.915 0.000 . 1 . . . . A 189 HIS CB . 34531 1 1007 . 1 . 1 90 90 HIS N N 15 119.004 0.000 . 1 . . . . A 189 HIS N . 34531 1 1008 . 1 . 1 91 91 THR H H 1 8.120 0.000 . 1 . . . . A 190 THR H . 34531 1 1009 . 1 . 1 91 91 THR HA H 1 4.270 0.000 . 1 . . . . A 190 THR HA . 34531 1 1010 . 1 . 1 91 91 THR HB H 1 4.149 0.000 . 1 . . . . A 190 THR HB . 34531 1 1011 . 1 . 1 91 91 THR HG21 H 1 1.120 0.000 . 1 . . . . A 190 THR HG21 . 34531 1 1012 . 1 . 1 91 91 THR HG22 H 1 1.120 0.000 . 1 . . . . A 190 THR HG22 . 34531 1 1013 . 1 . 1 91 91 THR HG23 H 1 1.120 0.000 . 1 . . . . A 190 THR HG23 . 34531 1 1014 . 1 . 1 91 91 THR C C 13 171.408 0.000 . 1 . . . . A 190 THR C . 34531 1 1015 . 1 . 1 91 91 THR CA C 13 59.320 0.000 . 1 . . . . A 190 THR CA . 34531 1 1016 . 1 . 1 91 91 THR CB C 13 67.058 0.000 . 1 . . . . A 190 THR CB . 34531 1 1017 . 1 . 1 91 91 THR CG2 C 13 19.008 0.000 . 1 . . . . A 190 THR CG2 . 34531 1 1018 . 1 . 1 91 91 THR N N 15 115.052 0.000 . 1 . . . . A 190 THR N . 34531 1 1019 . 1 . 1 92 92 ASN H H 1 8.422 0.000 . 1 . . . . A 191 ASN H . 34531 1 1020 . 1 . 1 92 92 ASN HA H 1 4.678 0.000 . 1 . . . . A 191 ASN HA . 34531 1 1021 . 1 . 1 92 92 ASN HB2 H 1 2.759 0.000 . 2 . . . . A 191 ASN HB2 . 34531 1 1022 . 1 . 1 92 92 ASN HB3 H 1 2.759 0.000 . 2 . . . . A 191 ASN HB3 . 34531 1 1023 . 1 . 1 92 92 ASN HD21 H 1 7.598 0.000 . 2 . . . . A 191 ASN HD21 . 34531 1 1024 . 1 . 1 92 92 ASN HD22 H 1 6.798 0.000 . 2 . . . . A 191 ASN HD22 . 34531 1 1025 . 1 . 1 92 92 ASN C C 13 171.929 0.000 . 1 . . . . A 191 ASN C . 34531 1 1026 . 1 . 1 92 92 ASN CA C 13 50.579 0.000 . 1 . . . . A 191 ASN CA . 34531 1 1027 . 1 . 1 92 92 ASN CB C 13 36.135 0.000 . 1 . . . . A 191 ASN CB . 34531 1 1028 . 1 . 1 92 92 ASN N N 15 120.877 0.000 . 1 . . . . A 191 ASN N . 34531 1 1029 . 1 . 1 92 92 ASN ND2 N 15 113.170 0.000 . 1 . . . . A 191 ASN ND2 . 34531 1 1030 . 1 . 1 93 93 ALA H H 1 8.099 0.000 . 1 . . . . A 192 ALA H . 34531 1 1031 . 1 . 1 93 93 ALA HA H 1 4.221 0.000 . 1 . . . . A 192 ALA HA . 34531 1 1032 . 1 . 1 93 93 ALA HB1 H 1 1.231 0.000 . 1 . . . . A 192 ALA HB1 . 34531 1 1033 . 1 . 1 93 93 ALA HB2 H 1 1.231 0.000 . 1 . . . . A 192 ALA HB2 . 34531 1 1034 . 1 . 1 93 93 ALA HB3 H 1 1.231 0.000 . 1 . . . . A 192 ALA HB3 . 34531 1 1035 . 1 . 1 93 93 ALA C C 13 174.300 0.000 . 1 . . . . A 192 ALA C . 34531 1 1036 . 1 . 1 93 93 ALA CA C 13 49.734 0.000 . 1 . . . . A 192 ALA CA . 34531 1 1037 . 1 . 1 93 93 ALA CB C 13 16.702 0.000 . 1 . . . . A 192 ALA CB . 34531 1 1038 . 1 . 1 93 93 ALA N N 15 124.173 0.000 . 1 . . . . A 192 ALA N . 34531 1 1039 . 1 . 1 94 94 VAL H H 1 7.857 0.000 . 1 . . . . A 193 VAL H . 34531 1 1040 . 1 . 1 94 94 VAL HA H 1 3.973 0.000 . 1 . . . . A 193 VAL HA . 34531 1 1041 . 1 . 1 94 94 VAL HB H 1 1.877 0.000 . 1 . . . . A 193 VAL HB . 34531 1 1042 . 1 . 1 94 94 VAL HG11 H 1 0.772 0.000 . 2 . . . . A 193 VAL HG11 . 34531 1 1043 . 1 . 1 94 94 VAL HG12 H 1 0.772 0.000 . 2 . . . . A 193 VAL HG12 . 34531 1 1044 . 1 . 1 94 94 VAL HG13 H 1 0.772 0.000 . 2 . . . . A 193 VAL HG13 . 34531 1 1045 . 1 . 1 94 94 VAL HG21 H 1 0.724 0.000 . 2 . . . . A 193 VAL HG21 . 34531 1 1046 . 1 . 1 94 94 VAL HG22 H 1 0.724 0.000 . 2 . . . . A 193 VAL HG22 . 34531 1 1047 . 1 . 1 94 94 VAL HG23 H 1 0.724 0.000 . 2 . . . . A 193 VAL HG23 . 34531 1 1048 . 1 . 1 94 94 VAL C C 13 172.893 0.000 . 1 . . . . A 193 VAL C . 34531 1 1049 . 1 . 1 94 94 VAL CA C 13 59.457 0.000 . 1 . . . . A 193 VAL CA . 34531 1 1050 . 1 . 1 94 94 VAL CB C 13 30.184 0.000 . 1 . . . . A 193 VAL CB . 34531 1 1051 . 1 . 1 94 94 VAL CG1 C 13 17.686 0.000 . 1 . . . . A 193 VAL CG1 . 34531 1 1052 . 1 . 1 94 94 VAL CG2 C 13 18.556 0.000 . 1 . . . . A 193 VAL CG2 . 34531 1 1053 . 1 . 1 94 94 VAL N N 15 118.615 0.000 . 1 . . . . A 193 VAL N . 34531 1 1054 . 1 . 1 95 95 PHE H H 1 8.162 0.000 . 1 . . . . A 194 PHE H . 34531 1 1055 . 1 . 1 95 95 PHE HA H 1 4.607 0.000 . 1 . . . . A 194 PHE HA . 34531 1 1056 . 1 . 1 95 95 PHE HB2 H 1 3.097 0.000 . 1 . . . . A 194 PHE HB2 . 34531 1 1057 . 1 . 1 95 95 PHE HB3 H 1 2.861 0.000 . 1 . . . . A 194 PHE HB3 . 34531 1 1058 . 1 . 1 95 95 PHE HD1 H 1 7.224 0.000 . 1 . . . . A 194 PHE HD1 . 34531 1 1059 . 1 . 1 95 95 PHE HD2 H 1 7.224 0.000 . 1 . . . . A 194 PHE HD2 . 34531 1 1060 . 1 . 1 95 95 PHE HE1 H 1 7.165 0.000 . 1 . . . . A 194 PHE HE1 . 34531 1 1061 . 1 . 1 95 95 PHE HE2 H 1 7.165 0.000 . 1 . . . . A 194 PHE HE2 . 34531 1 1062 . 1 . 1 95 95 PHE HZ H 1 7.102 0.000 . 1 . . . . A 194 PHE HZ . 34531 1 1063 . 1 . 1 95 95 PHE CA C 13 54.609 0.000 . 1 . . . . A 194 PHE CA . 34531 1 1064 . 1 . 1 95 95 PHE CB C 13 36.758 0.000 . 1 . . . . A 194 PHE CB . 34531 1 1065 . 1 . 1 95 95 PHE CD1 C 13 128.627 0.000 . 1 . . . . A 194 PHE CD1 . 34531 1 1066 . 1 . 1 95 95 PHE CE1 C 13 129.192 0.000 . 1 . . . . A 194 PHE CE1 . 34531 1 1067 . 1 . 1 95 95 PHE CZ C 13 128.448 0.000 . 1 . . . . A 194 PHE CZ . 34531 1 1068 . 1 . 1 95 95 PHE N N 15 123.758 0.000 . 1 . . . . A 194 PHE N . 34531 1 1069 . 1 . 1 96 96 ALA H H 1 7.749 0.000 . 1 . . . . A 195 ALA H . 34531 1 1070 . 1 . 1 96 96 ALA HA H 1 4.049 0.000 . 1 . . . . A 195 ALA HA . 34531 1 1071 . 1 . 1 96 96 ALA HB1 H 1 1.257 0.000 . 1 . . . . A 195 ALA HB1 . 34531 1 1072 . 1 . 1 96 96 ALA HB2 H 1 1.257 0.000 . 1 . . . . A 195 ALA HB2 . 34531 1 1073 . 1 . 1 96 96 ALA HB3 H 1 1.257 0.000 . 1 . . . . A 195 ALA HB3 . 34531 1 1074 . 1 . 1 96 96 ALA CA C 13 50.943 0.000 . 1 . . . . A 195 ALA CA . 34531 1 1075 . 1 . 1 96 96 ALA CB C 13 17.894 0.000 . 1 . . . . A 195 ALA CB . 34531 1 1076 . 1 . 1 96 96 ALA N N 15 130.584 0.000 . 1 . . . . A 195 ALA N . 34531 1 stop_ save_