data_27835 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27835 _Entry.Title ; HRdup moPrP 118-231 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-03-12 _Entry.Accession_date 2019-03-12 _Entry.Last_release_date 2019-03-12 _Entry.Original_release_date 2019-03-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Ze-Lin Fu . . . . 27835 2 Peter Holmes . C. . . 27835 3 David Westaway . . . . 27835 4 Brian Sykes . D. . . 27835 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27835 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 169 27835 '15N chemical shifts' 106 27835 '1H chemical shifts' 358 27835 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 . . 2019-06-26 2019-03-12 update BMRB 'update entry citation' 27835 1 . . 2019-05-22 2019-03-12 original author 'original release' 27835 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27835 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 31034890 _Citation.Full_citation . _Citation.Title ; Nascent beta structure in the Elongated Hydrophobic Region of a Gerstmann-Straussler-Scheinker PrP Allele ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 431 _Citation.Journal_issue 14 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2599 _Citation.Page_last 2611 _Citation.Year 2019 _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 Ze-Lin Fu . . . . 27835 1 2 Peter Holmes . C. . . 27835 1 3 David Westaway . . . . 27835 1 4 Brian Sykes . D. . . 27835 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27835 _Assembly.ID 1 _Assembly.Name 'HRduo mPrP' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'HRduo mPrP' 1 $HRdup_mPrP A . yes native no no . . . 27835 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 90 90 SG . 1 . 1 CYS 125 125 SG . . . 178 CYS SG . . . 213 CYS SG 27835 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_HRdup_mPrP _Entity.Sf_category entity _Entity.Sf_framecode HRdup_mPrP _Entity.Entry_ID 27835 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name HRdup_mPrP _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; HHHHHHGASTGGQQGENLYF QGAVVGGLGGYVLGGLGGYV LGSAMSRPMIHFGNDWEDRY YRENMYRYPNQVYYRPVDQY SNQNNFVHDCVNITIKQHTV TTTTKGENFTETDVKMMERV VEQMCVTQYQKESQAYYDGR RSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 143 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 -5 HIS . 27835 1 2 -4 HIS . 27835 1 3 -3 HIS . 27835 1 4 -2 HIS . 27835 1 5 -1 HIS . 27835 1 6 94 HIS . 27835 1 7 95 GLY . 27835 1 8 96 ALA . 27835 1 9 97 SER . 27835 1 10 98 THR . 27835 1 11 99 GLY . 27835 1 12 100 GLY . 27835 1 13 101 GLN . 27835 1 14 102 GLN . 27835 1 15 103 GLY . 27835 1 16 104 GLU . 27835 1 17 105 ASN . 27835 1 18 106 LEU . 27835 1 19 107 TYR . 27835 1 20 108 PHE . 27835 1 21 109 GLN . 27835 1 22 110 GLY . 27835 1 23 111 ALA . 27835 1 24 112 VAL . 27835 1 25 113 VAL . 27835 1 26 114 GLY . 27835 1 27 115 GLY . 27835 1 28 116 LEU . 27835 1 29 117 GLY . 27835 1 30 118 GLY . 27835 1 31 119 TYR . 27835 1 32 120 VAL . 27835 1 33 121 LEU . 27835 1 34 122 GLY . 27835 1 35 123 GLY . 27835 1 36 124 LEU . 27835 1 37 125 GLY . 27835 1 38 126 GLY . 27835 1 39 127 TYR . 27835 1 40 128 VAL . 27835 1 41 129 LEU . 27835 1 42 130 GLY . 27835 1 43 131 SER . 27835 1 44 132 ALA . 27835 1 45 133 MET . 27835 1 46 134 SER . 27835 1 47 135 ARG . 27835 1 48 136 PRO . 27835 1 49 137 MET . 27835 1 50 138 ILE . 27835 1 51 139 HIS . 27835 1 52 140 PHE . 27835 1 53 141 GLY . 27835 1 54 142 ASN . 27835 1 55 143 ASP . 27835 1 56 144 TRP . 27835 1 57 145 GLU . 27835 1 58 146 ASP . 27835 1 59 147 ARG . 27835 1 60 148 TYR . 27835 1 61 149 TYR . 27835 1 62 150 ARG . 27835 1 63 151 GLU . 27835 1 64 152 ASN . 27835 1 65 153 MET . 27835 1 66 154 TYR . 27835 1 67 155 ARG . 27835 1 68 156 TYR . 27835 1 69 157 PRO . 27835 1 70 158 ASN . 27835 1 71 159 GLN . 27835 1 72 160 VAL . 27835 1 73 161 TYR . 27835 1 74 162 TYR . 27835 1 75 163 ARG . 27835 1 76 164 PRO . 27835 1 77 165 VAL . 27835 1 78 166 ASP . 27835 1 79 167 GLN . 27835 1 80 168 TYR . 27835 1 81 169 SER . 27835 1 82 170 ASN . 27835 1 83 171 GLN . 27835 1 84 172 ASN . 27835 1 85 173 ASN . 27835 1 86 174 PHE . 27835 1 87 175 VAL . 27835 1 88 176 HIS . 27835 1 89 177 ASP . 27835 1 90 178 CYS . 27835 1 91 179 VAL . 27835 1 92 180 ASN . 27835 1 93 181 ILE . 27835 1 94 182 THR . 27835 1 95 183 ILE . 27835 1 96 184 LYS . 27835 1 97 185 GLN . 27835 1 98 186 HIS . 27835 1 99 187 THR . 27835 1 100 188 VAL . 27835 1 101 189 THR . 27835 1 102 190 THR . 27835 1 103 191 THR . 27835 1 104 192 THR . 27835 1 105 193 LYS . 27835 1 106 194 GLY . 27835 1 107 195 GLU . 27835 1 108 196 ASN . 27835 1 109 197 PHE . 27835 1 110 198 THR . 27835 1 111 199 GLU . 27835 1 112 200 THR . 27835 1 113 201 ASP . 27835 1 114 202 VAL . 27835 1 115 203 LYS . 27835 1 116 204 MET . 27835 1 117 205 MET . 27835 1 118 206 GLU . 27835 1 119 207 ARG . 27835 1 120 208 VAL . 27835 1 121 209 VAL . 27835 1 122 210 GLU . 27835 1 123 211 GLN . 27835 1 124 212 MET . 27835 1 125 213 CYS . 27835 1 126 214 VAL . 27835 1 127 215 THR . 27835 1 128 216 GLN . 27835 1 129 217 TYR . 27835 1 130 218 GLN . 27835 1 131 219 LYS . 27835 1 132 220 GLU . 27835 1 133 221 SER . 27835 1 134 222 GLN . 27835 1 135 223 ALA . 27835 1 136 224 TYR . 27835 1 137 225 TYR . 27835 1 138 226 ASP . 27835 1 139 227 GLY . 27835 1 140 228 ARG . 27835 1 141 229 ARG . 27835 1 142 230 SER . 27835 1 143 231 SER . 27835 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 . HIS 1 1 27835 1 . HIS 2 2 27835 1 . HIS 3 3 27835 1 . HIS 4 4 27835 1 . HIS 5 5 27835 1 . HIS 6 6 27835 1 . GLY 7 7 27835 1 . ALA 8 8 27835 1 . SER 9 9 27835 1 . THR 10 10 27835 1 . GLY 11 11 27835 1 . GLY 12 12 27835 1 . GLN 13 13 27835 1 . GLN 14 14 27835 1 . GLY 15 15 27835 1 . GLU 16 16 27835 1 . ASN 17 17 27835 1 . LEU 18 18 27835 1 . TYR 19 19 27835 1 . PHE 20 20 27835 1 . GLN 21 21 27835 1 . GLY 22 22 27835 1 . ALA 23 23 27835 1 . VAL 24 24 27835 1 . VAL 25 25 27835 1 . GLY 26 26 27835 1 . GLY 27 27 27835 1 . LEU 28 28 27835 1 . GLY 29 29 27835 1 . GLY 30 30 27835 1 . TYR 31 31 27835 1 . VAL 32 32 27835 1 . LEU 33 33 27835 1 . GLY 34 34 27835 1 . GLY 35 35 27835 1 . LEU 36 36 27835 1 . GLY 37 37 27835 1 . GLY 38 38 27835 1 . TYR 39 39 27835 1 . VAL 40 40 27835 1 . LEU 41 41 27835 1 . GLY 42 42 27835 1 . SER 43 43 27835 1 . ALA 44 44 27835 1 . MET 45 45 27835 1 . SER 46 46 27835 1 . ARG 47 47 27835 1 . PRO 48 48 27835 1 . MET 49 49 27835 1 . ILE 50 50 27835 1 . HIS 51 51 27835 1 . PHE 52 52 27835 1 . GLY 53 53 27835 1 . ASN 54 54 27835 1 . ASP 55 55 27835 1 . TRP 56 56 27835 1 . GLU 57 57 27835 1 . ASP 58 58 27835 1 . ARG 59 59 27835 1 . TYR 60 60 27835 1 . TYR 61 61 27835 1 . ARG 62 62 27835 1 . GLU 63 63 27835 1 . ASN 64 64 27835 1 . MET 65 65 27835 1 . TYR 66 66 27835 1 . ARG 67 67 27835 1 . TYR 68 68 27835 1 . PRO 69 69 27835 1 . ASN 70 70 27835 1 . GLN 71 71 27835 1 . VAL 72 72 27835 1 . TYR 73 73 27835 1 . TYR 74 74 27835 1 . ARG 75 75 27835 1 . PRO 76 76 27835 1 . VAL 77 77 27835 1 . ASP 78 78 27835 1 . GLN 79 79 27835 1 . TYR 80 80 27835 1 . SER 81 81 27835 1 . ASN 82 82 27835 1 . GLN 83 83 27835 1 . ASN 84 84 27835 1 . ASN 85 85 27835 1 . PHE 86 86 27835 1 . VAL 87 87 27835 1 . HIS 88 88 27835 1 . ASP 89 89 27835 1 . CYS 90 90 27835 1 . VAL 91 91 27835 1 . ASN 92 92 27835 1 . ILE 93 93 27835 1 . THR 94 94 27835 1 . ILE 95 95 27835 1 . LYS 96 96 27835 1 . GLN 97 97 27835 1 . HIS 98 98 27835 1 . THR 99 99 27835 1 . VAL 100 100 27835 1 . THR 101 101 27835 1 . THR 102 102 27835 1 . THR 103 103 27835 1 . THR 104 104 27835 1 . LYS 105 105 27835 1 . GLY 106 106 27835 1 . GLU 107 107 27835 1 . ASN 108 108 27835 1 . PHE 109 109 27835 1 . THR 110 110 27835 1 . GLU 111 111 27835 1 . THR 112 112 27835 1 . ASP 113 113 27835 1 . VAL 114 114 27835 1 . LYS 115 115 27835 1 . MET 116 116 27835 1 . MET 117 117 27835 1 . GLU 118 118 27835 1 . ARG 119 119 27835 1 . VAL 120 120 27835 1 . VAL 121 121 27835 1 . GLU 122 122 27835 1 . GLN 123 123 27835 1 . MET 124 124 27835 1 . CYS 125 125 27835 1 . VAL 126 126 27835 1 . THR 127 127 27835 1 . GLN 128 128 27835 1 . TYR 129 129 27835 1 . GLN 130 130 27835 1 . LYS 131 131 27835 1 . GLU 132 132 27835 1 . SER 133 133 27835 1 . GLN 134 134 27835 1 . ALA 135 135 27835 1 . TYR 136 136 27835 1 . TYR 137 137 27835 1 . ASP 138 138 27835 1 . GLY 139 139 27835 1 . ARG 140 140 27835 1 . ARG 141 141 27835 1 . SER 142 142 27835 1 . SER 143 143 27835 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 27835 _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 $HRdup_mPrP . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 27835 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 27835 _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 $HRdup_mPrP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pD444 . . . 27835 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27835 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HRdup mPrP' '[U-99% 13C; U-99% 15N]' . . 1 $HRdup_mPrP . . 0.1 . . mM . . . . 27835 1 2 'sodium acetate' 'natural abundance' . . . . . . 10 . . mM . . . . 27835 1 3 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 27835 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 27835 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.01 . M 27835 1 pH 5.0 . pH 27835 1 pressure 1 . atm 27835 1 temperature 273 . K 27835 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 27835 _Software.ID 1 _Software.Type . _Software.Name VNMRJ _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 27835 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27835 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27835 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 27835 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 27835 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 27835 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27835 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27835 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27835 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27835 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27835 1 6 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27835 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27835 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27835 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27835 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27835 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27835 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27835 1 3 '3D CBCA(CO)NH' . . . 27835 1 4 '3D HNCACB' . . . 27835 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 6 6 HIS CA C 13 55.743 . . 1 . . . . . 94 H CA . 27835 1 2 . 1 1 6 6 HIS CB C 13 29.732 . . 1 . . . . . 94 H CB . 27835 1 3 . 1 1 7 7 GLY H H 1 8.443 . . 1 . . . . . 95 G HN . 27835 1 4 . 1 1 7 7 GLY CA C 13 44.947 . . 1 . . . . . 95 G CA . 27835 1 5 . 1 1 7 7 GLY N N 15 110.833 . . 1 . . . . . 95 G N . 27835 1 6 . 1 1 8 8 ALA H H 1 8.271 . . 1 . . . . . 96 A HN . 27835 1 7 . 1 1 8 8 ALA HA H 1 4.375 . . 1 . . . . . 96 A HA . 27835 1 8 . 1 1 8 8 ALA HB1 H 1 1.386 . . 1 . . . . . 96 A HB# . 27835 1 9 . 1 1 8 8 ALA HB2 H 1 1.386 . . 1 . . . . . 96 A HB# . 27835 1 10 . 1 1 8 8 ALA HB3 H 1 1.386 . . 1 . . . . . 96 A HB# . 27835 1 11 . 1 1 8 8 ALA CA C 13 52.303 . . 1 . . . . . 96 A CA . 27835 1 12 . 1 1 8 8 ALA CB C 13 19.368 . . 1 . . . . . 96 A CB . 27835 1 13 . 1 1 8 8 ALA N N 15 123.882 . . 1 . . . . . 96 A N . 27835 1 14 . 1 1 9 9 SER H H 1 8.417 . . 1 . . . . . 97 S HN . 27835 1 15 . 1 1 9 9 SER HA H 1 4.537 . . 1 . . . . . 97 S HA . 27835 1 16 . 1 1 9 9 SER HB2 H 1 3.877 . . 1 . . . . . 97 S HB# . 27835 1 17 . 1 1 9 9 SER HB3 H 1 3.877 . . 1 . . . . . 97 S HB# . 27835 1 18 . 1 1 9 9 SER CA C 13 63.560 . . 1 . . . . . 97 S CA . 27835 1 19 . 1 1 9 9 SER N N 15 115.308 . . 1 . . . . . 97 S N . 27835 1 20 . 1 1 10 10 THR H H 1 8.162 . . 1 . . . . . 98 T HN . 27835 1 21 . 1 1 10 10 THR HA H 1 4.386 . . 1 . . . . . 98 T HA . 27835 1 22 . 1 1 10 10 THR HB H 1 4.275 . . 1 . . . . . 98 T HB . 27835 1 23 . 1 1 10 10 THR CA C 13 61.641 . . 1 . . . . . 98 T CA . 27835 1 24 . 1 1 10 10 THR CB C 13 69.579 . . 1 . . . . . 98 T CB . 27835 1 25 . 1 1 10 10 THR N N 15 114.978 . . 1 . . . . . 98 T N . 27835 1 26 . 1 1 11 11 GLY H H 1 8.394 . . 1 . . . . . 99 G HN . 27835 1 27 . 1 1 11 11 GLY HA2 H 1 3.982 . . 1 . . . . . 99 G HA# . 27835 1 28 . 1 1 11 11 GLY HA3 H 1 3.982 . . 1 . . . . . 99 G HA# . 27835 1 29 . 1 1 11 11 GLY CA C 13 45.261 . . 1 . . . . . 99 G CA . 27835 1 30 . 1 1 11 11 GLY N N 15 110.777 . . 1 . . . . . 99 G N . 27835 1 31 . 1 1 12 12 GLY H H 1 8.107 . . 1 . . . . . 100 G HN . 27835 1 32 . 1 1 12 12 GLY HA2 H 1 3.867 . . 1 . . . . . 100 G HA# . 27835 1 33 . 1 1 12 12 GLY HA3 H 1 3.867 . . 1 . . . . . 100 G HA# . 27835 1 34 . 1 1 12 12 GLY CA C 13 45.079 . . 1 . . . . . 100 G CA . 27835 1 35 . 1 1 12 12 GLY N N 15 108.091 . . 1 . . . . . 100 G N . 27835 1 36 . 1 1 14 14 GLN CA C 13 55.998 . . 1 . . . . . 102 Q CA . 27835 1 37 . 1 1 14 14 GLN CB C 13 29.136 . . 1 . . . . . 102 Q CB . 27835 1 38 . 1 1 15 15 GLY H H 1 8.378 . . 1 . . . . . 103 G HN . 27835 1 39 . 1 1 15 15 GLY HA2 H 1 4.313 . . 1 . . . . . 103 G HA1 . 27835 1 40 . 1 1 15 15 GLY HA3 H 1 3.937 . . 1 . . . . . 103 G HA2 . 27835 1 41 . 1 1 15 15 GLY CA C 13 45.226 . . 1 . . . . . 103 G CA . 27835 1 42 . 1 1 15 15 GLY N N 15 109.918 . . 1 . . . . . 103 G N . 27835 1 43 . 1 1 20 20 PHE H H 1 8.019 . . 1 . . . . . 108 F HN . 27835 1 44 . 1 1 20 20 PHE CA C 13 57.437 . . 1 . . . . . 108 F CA . 27835 1 45 . 1 1 20 20 PHE CB C 13 39.725 . . 1 . . . . . 108 F CB . 27835 1 46 . 1 1 20 20 PHE N N 15 119.745 . . 1 . . . . . 108 F N . 27835 1 47 . 1 1 21 21 GLN H H 1 8.257 . . 1 . . . . . 109 Q HN . 27835 1 48 . 1 1 21 21 GLN HA H 1 4.205 . . 1 . . . . . 109 Q HA . 27835 1 49 . 1 1 21 21 GLN HB2 H 1 1.891 . . 1 . . . . . 109 Q HB# . 27835 1 50 . 1 1 21 21 GLN HB3 H 1 1.891 . . 1 . . . . . 109 Q HB# . 27835 1 51 . 1 1 21 21 GLN HG2 H 1 2.237 . . 1 . . . . . 109 Q HG1 . 27835 1 52 . 1 1 21 21 GLN HG3 H 1 2.053 . . 1 . . . . . 109 Q HG2 . 27835 1 53 . 1 1 21 21 GLN CA C 13 55.871 . . 1 . . . . . 109 Q CA . 27835 1 54 . 1 1 21 21 GLN CB C 13 29.139 . . 1 . . . . . 109 Q CB . 27835 1 55 . 1 1 21 21 GLN N N 15 122.386 . . 1 . . . . . 109 Q N . 27835 1 56 . 1 1 22 22 GLY H H 1 7.872 . . 1 . . . . . 110 G HN . 27835 1 57 . 1 1 22 22 GLY HA2 H 1 3.862 . . 1 . . . . . 110 G HA# . 27835 1 58 . 1 1 22 22 GLY HA3 H 1 3.862 . . 1 . . . . . 110 G HA# . 27835 1 59 . 1 1 22 22 GLY CA C 13 45.056 . . 1 . . . . . 110 G CA . 27835 1 60 . 1 1 22 22 GLY N N 15 109.112 . . 1 . . . . . 110 G N . 27835 1 61 . 1 1 23 23 ALA H H 1 8.038 . . 1 . . . . . 111 A HN . 27835 1 62 . 1 1 23 23 ALA HA H 1 4.345 . . 1 . . . . . 111 A HA . 27835 1 63 . 1 1 23 23 ALA HB1 H 1 1.325 . . 1 . . . . . 111 A HB# . 27835 1 64 . 1 1 23 23 ALA HB2 H 1 1.325 . . 1 . . . . . 111 A HB# . 27835 1 65 . 1 1 23 23 ALA HB3 H 1 1.325 . . 1 . . . . . 111 A HB# . 27835 1 66 . 1 1 23 23 ALA CA C 13 52.197 . . 1 . . . . . 111 A CA . 27835 1 67 . 1 1 23 23 ALA CB C 13 19.414 . . 1 . . . . . 111 A CB . 27835 1 68 . 1 1 23 23 ALA N N 15 123.380 . . 1 . . . . . 111 A N . 27835 1 69 . 1 1 24 24 VAL H H 1 8.080 . . 1 . . . . . 112 V HN . 27835 1 70 . 1 1 24 24 VAL HA H 1 4.103 . . 1 . . . . . 112 V HA . 27835 1 71 . 1 1 24 24 VAL HB H 1 2.011 . . 1 . . . . . 112 V HB . 27835 1 72 . 1 1 24 24 VAL HG11 H 1 0.865 . . 1 . . . . . 112 V HG# . 27835 1 73 . 1 1 24 24 VAL HG12 H 1 0.865 . . 1 . . . . . 112 V HG# . 27835 1 74 . 1 1 24 24 VAL HG13 H 1 0.865 . . 1 . . . . . 112 V HG# . 27835 1 75 . 1 1 24 24 VAL HG21 H 1 0.865 . . 1 . . . . . 112 V HG# . 27835 1 76 . 1 1 24 24 VAL HG22 H 1 0.865 . . 1 . . . . . 112 V HG# . 27835 1 77 . 1 1 24 24 VAL HG23 H 1 0.865 . . 1 . . . . . 112 V HG# . 27835 1 78 . 1 1 24 24 VAL CA C 13 62.169 . . 1 . . . . . 112 V CA . 27835 1 79 . 1 1 24 24 VAL CB C 13 32.686 . . 1 . . . . . 112 V CB . 27835 1 80 . 1 1 24 24 VAL N N 15 119.403 . . 1 . . . . . 112 V N . 27835 1 81 . 1 1 25 25 VAL H H 1 8.194 . . 1 . . . . . 113 V HN . 27835 1 82 . 1 1 25 25 VAL HA H 1 4.095 . . 1 . . . . . 113 V HA . 27835 1 83 . 1 1 25 25 VAL HB H 1 2.016 . . 1 . . . . . 113 V HB . 27835 1 84 . 1 1 25 25 VAL HG11 H 1 0.892 . . 1 . . . . . 113 V HG# . 27835 1 85 . 1 1 25 25 VAL HG12 H 1 0.892 . . 1 . . . . . 113 V HG# . 27835 1 86 . 1 1 25 25 VAL HG13 H 1 0.892 . . 1 . . . . . 113 V HG# . 27835 1 87 . 1 1 25 25 VAL HG21 H 1 0.892 . . 1 . . . . . 113 V HG# . 27835 1 88 . 1 1 25 25 VAL HG22 H 1 0.892 . . 1 . . . . . 113 V HG# . 27835 1 89 . 1 1 25 25 VAL HG23 H 1 0.892 . . 1 . . . . . 113 V HG# . 27835 1 90 . 1 1 25 25 VAL CA C 13 62.356 . . 1 . . . . . 113 V CA . 27835 1 91 . 1 1 25 25 VAL CB C 13 32.617 . . 1 . . . . . 113 V CB . 27835 1 92 . 1 1 25 25 VAL N N 15 124.206 . . 1 . . . . . 113 V N . 27835 1 93 . 1 1 26 26 GLY H H 1 8.443 . . 1 . . . . . 114 G HN . 27835 1 94 . 1 1 26 26 GLY HA2 H 1 3.939 . . 1 . . . . . 114 G HA# . 27835 1 95 . 1 1 26 26 GLY HA3 H 1 3.939 . . 1 . . . . . 114 G HA# . 27835 1 96 . 1 1 26 26 GLY CA C 13 45.084 . . 1 . . . . . 114 G CA . 27835 1 97 . 1 1 26 26 GLY N N 15 112.720 . . 1 . . . . . 114 G N . 27835 1 98 . 1 1 27 27 GLY H H 1 8.182 . . 1 . . . . . 115 G HN . 27835 1 99 . 1 1 27 27 GLY HA2 H 1 3.940 . . 1 . . . . . 115 G HA# . 27835 1 100 . 1 1 27 27 GLY HA3 H 1 3.940 . . 1 . . . . . 115 G HA# . 27835 1 101 . 1 1 27 27 GLY CA C 13 45.229 . . 1 . . . . . 115 G CA . 27835 1 102 . 1 1 27 27 GLY N N 15 108.283 . . 1 . . . . . 115 G N . 27835 1 103 . 1 1 28 28 LEU H H 1 8.153 . . 1 . . . . . 116 L HN . 27835 1 104 . 1 1 28 28 LEU HA H 1 4.358 . . 1 . . . . . 116 L HA . 27835 1 105 . 1 1 28 28 LEU CA C 13 54.955 . . 1 . . . . . 116 L CA . 27835 1 106 . 1 1 28 28 LEU CB C 13 42.405 . . 1 . . . . . 116 L CB . 27835 1 107 . 1 1 28 28 LEU N N 15 121.663 . . 1 . . . . . 116 L N . 27835 1 108 . 1 1 29 29 GLY H H 1 8.445 . . 1 . . . . . 117 G HN . 27835 1 109 . 1 1 29 29 GLY HA2 H 1 3.953 . . 1 . . . . . 117 G HA# . 27835 1 110 . 1 1 29 29 GLY HA3 H 1 3.953 . . 1 . . . . . 117 G HA# . 27835 1 111 . 1 1 29 29 GLY CA C 13 45.836 . . 1 . . . . . 117 G CA . 27835 1 112 . 1 1 29 29 GLY N N 15 109.624 . . 1 . . . . . 117 G N . 27835 1 113 . 1 1 30 30 GLY H H 1 8.189 . . 1 . . . . . 118 G HN . 27835 1 114 . 1 1 30 30 GLY HA2 H 1 3.945 . . 1 . . . . . 118 G HA# . 27835 1 115 . 1 1 30 30 GLY HA3 H 1 3.945 . . 1 . . . . . 118 G HA# . 27835 1 116 . 1 1 30 30 GLY CA C 13 45.176 . . 1 . . . . . 118 G CA . 27835 1 117 . 1 1 30 30 GLY N N 15 108.554 . . 1 . . . . . 118 G N . 27835 1 118 . 1 1 31 31 TYR H H 1 8.040 . . 1 . . . . . 119 Y HN . 27835 1 119 . 1 1 31 31 TYR CA C 13 57.690 . . 1 . . . . . 119 Y CA . 27835 1 120 . 1 1 31 31 TYR CB C 13 38.816 . . 1 . . . . . 119 Y CB . 27835 1 121 . 1 1 31 31 TYR N N 15 119.802 . . 1 . . . . . 119 Y N . 27835 1 122 . 1 1 32 32 VAL H H 1 8.062 . . 1 . . . . . 120 V HN . 27835 1 123 . 1 1 32 32 VAL HA H 1 4.140 . . 1 . . . . . 120 V HA . 27835 1 124 . 1 1 32 32 VAL HB H 1 1.962 . . 1 . . . . . 120 V HB . 27835 1 125 . 1 1 32 32 VAL HG11 H 1 0.816 . . 1 . . . . . 120 V HG# . 27835 1 126 . 1 1 32 32 VAL HG12 H 1 0.816 . . 1 . . . . . 120 V HG# . 27835 1 127 . 1 1 32 32 VAL HG13 H 1 0.816 . . 1 . . . . . 120 V HG# . 27835 1 128 . 1 1 32 32 VAL HG21 H 1 0.816 . . 1 . . . . . 120 V HG# . 27835 1 129 . 1 1 32 32 VAL HG22 H 1 0.816 . . 1 . . . . . 120 V HG# . 27835 1 130 . 1 1 32 32 VAL HG23 H 1 0.816 . . 1 . . . . . 120 V HG# . 27835 1 131 . 1 1 32 32 VAL CA C 13 61.811 . . 1 . . . . . 120 V CA . 27835 1 132 . 1 1 32 32 VAL CB C 13 32.985 . . 1 . . . . . 120 V CB . 27835 1 133 . 1 1 32 32 VAL N N 15 121.597 . . 1 . . . . . 120 V N . 27835 1 134 . 1 1 33 33 LEU H H 1 8.260 . . 1 . . . . . 121 L HN . 27835 1 135 . 1 1 33 33 LEU HA H 1 4.294 . . 1 . . . . . 121 L HA . 27835 1 136 . 1 1 33 33 LEU CA C 13 55.132 . . 1 . . . . . 121 L CA . 27835 1 137 . 1 1 33 33 LEU CB C 13 42.131 . . 1 . . . . . 121 L CB . 27835 1 138 . 1 1 33 33 LEU N N 15 125.537 . . 1 . . . . . 121 L N . 27835 1 139 . 1 1 34 34 GLY H H 1 8.460 . . 1 . . . . . 122 G HN . 27835 1 140 . 1 1 34 34 GLY HA2 H 1 4.324 . . 1 . . . . . 122 G HA1 . 27835 1 141 . 1 1 34 34 GLY HA3 H 1 3.931 . . 1 . . . . . 122 G HA2 . 27835 1 142 . 1 1 34 34 GLY CA C 13 45.361 . . 1 . . . . . 122 G CA . 27835 1 143 . 1 1 34 34 GLY N N 15 110.520 . . 1 . . . . . 122 G N . 27835 1 144 . 1 1 35 35 GLY H H 1 8.193 . . 1 . . . . . 123 G HN . 27835 1 145 . 1 1 35 35 GLY HA2 H 1 3.930 . . 1 . . . . . 123 G HA# . 27835 1 146 . 1 1 35 35 GLY HA3 H 1 3.930 . . 1 . . . . . 123 G HA# . 27835 1 147 . 1 1 35 35 GLY CA C 13 45.615 . . 1 . . . . . 123 G CA . 27835 1 148 . 1 1 35 35 GLY N N 15 107.826 . . 1 . . . . . 123 G N . 27835 1 149 . 1 1 36 36 LEU H H 1 8.210 . . 1 . . . . . 124 L HN . 27835 1 150 . 1 1 36 36 LEU HA H 1 4.349 . . 1 . . . . . 124 L HA . 27835 1 151 . 1 1 36 36 LEU CA C 13 55.262 . . 1 . . . . . 124 L CA . 27835 1 152 . 1 1 36 36 LEU CB C 13 42.158 . . 1 . . . . . 124 L CB . 27835 1 153 . 1 1 36 36 LEU N N 15 121.564 . . 1 . . . . . 124 L N . 27835 1 154 . 1 1 37 37 GLY H H 1 8.412 . . 1 . . . . . 125 G HN . 27835 1 155 . 1 1 37 37 GLY HA2 H 1 3.903 . . 1 . . . . . 125 G HA# . 27835 1 156 . 1 1 37 37 GLY HA3 H 1 3.903 . . 1 . . . . . 125 G HA# . 27835 1 157 . 1 1 37 37 GLY CA C 13 45.297 . . 1 . . . . . 125 G CA . 27835 1 158 . 1 1 37 37 GLY N N 15 109.174 . . 1 . . . . . 125 G N . 27835 1 159 . 1 1 38 38 GLY H H 1 8.281 . . 1 . . . . . 126 G HN . 27835 1 160 . 1 1 38 38 GLY HA2 H 1 3.947 . . 1 . . . . . 126 G HA# . 27835 1 161 . 1 1 38 38 GLY HA3 H 1 3.947 . . 1 . . . . . 126 G HA# . 27835 1 162 . 1 1 38 38 GLY CA C 13 45.102 . . 1 . . . . . 126 G CA . 27835 1 163 . 1 1 38 38 GLY N N 15 108.682 . . 1 . . . . . 126 G N . 27835 1 164 . 1 1 39 39 TYR H H 1 7.851 . . 1 . . . . . 127 Y HN . 27835 1 165 . 1 1 39 39 TYR HA H 1 4.514 . . 1 . . . . . 127 Y HA . 27835 1 166 . 1 1 39 39 TYR CA C 13 58.116 . . 1 . . . . . 127 Y CA . 27835 1 167 . 1 1 39 39 TYR CB C 13 40.005 . . 1 . . . . . 127 Y CB . 27835 1 168 . 1 1 39 39 TYR N N 15 117.906 . . 1 . . . . . 127 Y N . 27835 1 169 . 1 1 40 40 VAL H H 1 8.189 . . 1 . . . . . 128 V HN . 27835 1 170 . 1 1 40 40 VAL HA H 1 3.931 . . 1 . . . . . 128 V HA . 27835 1 171 . 1 1 40 40 VAL N N 15 119.450 . . 1 . . . . . 128 V N . 27835 1 172 . 1 1 42 42 GLY CA C 13 45.120 . . 1 . . . . . 130 G CA . 27835 1 173 . 1 1 43 43 SER H H 1 8.242 . . 1 . . . . . 131 S HN . 27835 1 174 . 1 1 43 43 SER HA H 1 4.422 . . 1 . . . . . 131 S HA . 27835 1 175 . 1 1 43 43 SER HB2 H 1 3.917 . . 1 . . . . . 131 S HB# . 27835 1 176 . 1 1 43 43 SER HB3 H 1 3.917 . . 1 . . . . . 131 S HB# . 27835 1 177 . 1 1 43 43 SER CA C 13 58.320 . . 1 . . . . . 131 S CA . 27835 1 178 . 1 1 43 43 SER CB C 13 64.217 . . 1 . . . . . 131 S CB . 27835 1 179 . 1 1 43 43 SER N N 15 113.595 . . 1 . . . . . 131 S N . 27835 1 180 . 1 1 44 44 ALA H H 1 8.651 . . 1 . . . . . 132 A HN . 27835 1 181 . 1 1 44 44 ALA HA H 1 4.423 . . 1 . . . . . 132 A HA . 27835 1 182 . 1 1 44 44 ALA HB1 H 1 1.268 . . 1 . . . . . 132 A HB# . 27835 1 183 . 1 1 44 44 ALA HB2 H 1 1.268 . . 1 . . . . . 132 A HB# . 27835 1 184 . 1 1 44 44 ALA HB3 H 1 1.268 . . 1 . . . . . 132 A HB# . 27835 1 185 . 1 1 44 44 ALA CA C 13 52.880 . . 1 . . . . . 132 A CA . 27835 1 186 . 1 1 44 44 ALA CB C 13 18.487 . . 1 . . . . . 132 A CB . 27835 1 187 . 1 1 44 44 ALA N N 15 125.501 . . 1 . . . . . 132 A N . 27835 1 188 . 1 1 45 45 MET H H 1 8.717 . . 1 . . . . . 133 M HN . 27835 1 189 . 1 1 45 45 MET HA H 1 4.412 . . 1 . . . . . 133 M HA . 27835 1 190 . 1 1 45 45 MET HB2 H 1 1.974 . . 1 . . . . . 133 M HB2 . 27835 1 191 . 1 1 45 45 MET CA C 13 54.024 . . 1 . . . . . 133 M CA . 27835 1 192 . 1 1 45 45 MET CB C 13 36.537 . . 1 . . . . . 133 M CB . 27835 1 193 . 1 1 45 45 MET N N 15 121.047 . . 1 . . . . . 133 M N . 27835 1 194 . 1 1 46 46 SER H H 1 8.363 . . 1 . . . . . 134 S HN . 27835 1 195 . 1 1 46 46 SER HA H 1 4.350 . . 1 . . . . . 134 S HA . 27835 1 196 . 1 1 46 46 SER HB2 H 1 3.767 . . 1 . . . . . 134 S HB1 . 27835 1 197 . 1 1 46 46 SER HB3 H 1 3.794 . . 1 . . . . . 134 S HB2 . 27835 1 198 . 1 1 46 46 SER CA C 13 58.486 . . 1 . . . . . 134 S CA . 27835 1 199 . 1 1 46 46 SER CB C 13 63.028 . . 1 . . . . . 134 S CB . 27835 1 200 . 1 1 46 46 SER N N 15 116.066 . . 1 . . . . . 134 S N . 27835 1 201 . 1 1 47 47 ARG H H 1 8.604 . . 1 . . . . . 135 R HN . 27835 1 202 . 1 1 47 47 ARG HA H 1 4.376 . . 1 . . . . . 135 R HA . 27835 1 203 . 1 1 47 47 ARG HB2 H 1 1.788 . . 1 . . . . . 135 R HB# . 27835 1 204 . 1 1 47 47 ARG HB3 H 1 1.788 . . 1 . . . . . 135 R HB# . 27835 1 205 . 1 1 47 47 ARG HG2 H 1 1.687 . . 1 . . . . . 135 R HG# . 27835 1 206 . 1 1 47 47 ARG HG3 H 1 1.687 . . 1 . . . . . 135 R HG# . 27835 1 207 . 1 1 47 47 ARG CA C 13 54.651 . . 1 . . . . . 135 R CA . 27835 1 208 . 1 1 47 47 ARG CB C 13 29.430 . . 1 . . . . . 135 R CB . 27835 1 209 . 1 1 47 47 ARG N N 15 126.277 . . 1 . . . . . 135 R N . 27835 1 210 . 1 1 51 51 HIS H H 1 8.153 . . 1 . . . . . 139 H HN . 27835 1 211 . 1 1 51 51 HIS HA H 1 4.354 . . 1 . . . . . 139 H HA . 27835 1 212 . 1 1 51 51 HIS HB2 H 1 2.930 . . 1 . . . . . 139 H HB1 . 27835 1 213 . 1 1 51 51 HIS HB3 H 1 3.251 . . 1 . . . . . 139 H HB2 . 27835 1 214 . 1 1 51 51 HIS CA C 13 54.016 . . 1 . . . . . 139 H CA . 27835 1 215 . 1 1 51 51 HIS CB C 13 29.617 . . 1 . . . . . 139 H CB . 27835 1 216 . 1 1 51 51 HIS N N 15 121.745 . . 1 . . . . . 139 H N . 27835 1 217 . 1 1 52 52 PHE H H 1 10.295 . . 1 . . . . . 140 F HN . 27835 1 218 . 1 1 52 52 PHE HA H 1 4.261 . . 1 . . . . . 140 F HA . 27835 1 219 . 1 1 52 52 PHE CA C 13 59.483 . . 1 . . . . . 140 F CA . 27835 1 220 . 1 1 52 52 PHE CB C 13 40.722 . . 1 . . . . . 140 F CB . 27835 1 221 . 1 1 52 52 PHE N N 15 124.954 . . 1 . . . . . 140 F N . 27835 1 222 . 1 1 53 53 GLY H H 1 8.962 . . 1 . . . . . 141 G HN . 27835 1 223 . 1 1 53 53 GLY HA2 H 1 3.754 . . 1 . . . . . 141 G HA1 . 27835 1 224 . 1 1 53 53 GLY HA3 H 1 4.088 . . 1 . . . . . 141 G HA2 . 27835 1 225 . 1 1 53 53 GLY CA C 13 45.707 . . 1 . . . . . 141 G CA . 27835 1 226 . 1 1 53 53 GLY N N 15 108.767 . . 1 . . . . . 141 G N . 27835 1 227 . 1 1 54 54 ASN H H 1 7.251 . . 1 . . . . . 142 N HN . 27835 1 228 . 1 1 54 54 ASN HA H 1 4.889 . . 1 . . . . . 142 N HA . 27835 1 229 . 1 1 54 54 ASN CA C 13 52.341 . . 1 . . . . . 142 N CA . 27835 1 230 . 1 1 54 54 ASN CB C 13 41.280 . . 1 . . . . . 142 N CB . 27835 1 231 . 1 1 54 54 ASN N N 15 114.391 . . 1 . . . . . 142 N N . 27835 1 232 . 1 1 55 55 ASP H H 1 8.979 . . 1 . . . . . 143 D HN . 27835 1 233 . 1 1 55 55 ASP HA H 1 4.434 . . 1 . . . . . 143 D HA . 27835 1 234 . 1 1 55 55 ASP CA C 13 57.717 . . 1 . . . . . 143 D CA . 27835 1 235 . 1 1 55 55 ASP CB C 13 41.114 . . 1 . . . . . 143 D CB . 27835 1 236 . 1 1 55 55 ASP N N 15 123.204 . . 1 . . . . . 143 D N . 27835 1 237 . 1 1 56 56 TRP H H 1 8.484 . . 1 . . . . . 144 W HN . 27835 1 238 . 1 1 56 56 TRP HA H 1 4.242 . . 1 . . . . . 144 W HA . 27835 1 239 . 1 1 56 56 TRP HE1 H 1 10.202 . . 1 . . . . . 144 W HE1 . 27835 1 240 . 1 1 56 56 TRP CA C 13 61.629 . . 1 . . . . . 144 W CA . 27835 1 241 . 1 1 56 56 TRP CB C 13 28.181 . . 1 . . . . . 144 W CB . 27835 1 242 . 1 1 56 56 TRP N N 15 120.361 . . 1 . . . . . 144 W N . 27835 1 243 . 1 1 56 56 TRP NE1 N 15 129.481 . . 1 . . . . . 144 W NE1 . 27835 1 244 . 1 1 57 57 GLU H H 1 8.091 . . 1 . . . . . 145 E HN . 27835 1 245 . 1 1 57 57 GLU HA H 1 4.109 . . 1 . . . . . 145 E HA . 27835 1 246 . 1 1 57 57 GLU CA C 13 59.740 . . 1 . . . . . 145 E CA . 27835 1 247 . 1 1 57 57 GLU CB C 13 29.561 . . 1 . . . . . 145 E CB . 27835 1 248 . 1 1 57 57 GLU N N 15 120.530 . . 1 . . . . . 145 E N . 27835 1 249 . 1 1 58 58 ASP H H 1 7.889 . . 1 . . . . . 146 D HN . 27835 1 250 . 1 1 58 58 ASP HA H 1 4.223 . . 1 . . . . . 146 D HA . 27835 1 251 . 1 1 58 58 ASP N N 15 118.899 . . 1 . . . . . 146 D N . 27835 1 252 . 1 1 59 59 ARG H H 1 8.259 . . 1 . . . . . 147 R HN . 27835 1 253 . 1 1 59 59 ARG HA H 1 3.744 . . 1 . . . . . 147 R HA . 27835 1 254 . 1 1 59 59 ARG N N 15 120.834 . . 1 . . . . . 147 R N . 27835 1 255 . 1 1 61 61 TYR CA C 13 62.235 . . 1 . . . . . 149 Y CA . 27835 1 256 . 1 1 61 61 TYR CB C 13 38.177 . . 1 . . . . . 149 Y CB . 27835 1 257 . 1 1 62 62 ARG H H 1 8.965 . . 1 . . . . . 150 R HN . 27835 1 258 . 1 1 62 62 ARG CA C 13 62.839 . . 1 . . . . . 150 R CA . 27835 1 259 . 1 1 62 62 ARG N N 15 120.323 . . 1 . . . . . 150 R N . 27835 1 260 . 1 1 63 63 GLU H H 1 7.882 . . 1 . . . . . 151 E HN . 27835 1 261 . 1 1 63 63 GLU HA H 1 3.836 . . 1 . . . . . 151 E HA . 27835 1 262 . 1 1 63 63 GLU N N 15 117.292 . . 1 . . . . . 151 E N . 27835 1 263 . 1 1 64 64 ASN H H 1 7.875 . . 1 . . . . . 152 N HN . 27835 1 264 . 1 1 64 64 ASN HA H 1 4.089 . . 1 . . . . . 152 N HA . 27835 1 265 . 1 1 64 64 ASN N N 15 115.595 . . 1 . . . . . 152 N N . 27835 1 266 . 1 1 65 65 MET H H 1 7.534 . . 1 . . . . . 153 M HN . 27835 1 267 . 1 1 65 65 MET HA H 1 4.486 . . 1 . . . . . 153 M HA . 27835 1 268 . 1 1 65 65 MET HB2 H 1 1.849 . . 1 . . . . . 153 M HB2 . 27835 1 269 . 1 1 65 65 MET N N 15 115.128 . . 1 . . . . . 153 M N . 27835 1 270 . 1 1 66 66 TYR H H 1 7.829 . . 1 . . . . . 154 Y HN . 27835 1 271 . 1 1 66 66 TYR N N 15 118.304 . . 1 . . . . . 154 Y N . 27835 1 272 . 1 1 67 67 ARG H H 1 7.500 . . 1 . . . . . 155 R HN . 27835 1 273 . 1 1 67 67 ARG HA H 1 4.053 . . 1 . . . . . 155 R HA . 27835 1 274 . 1 1 67 67 ARG HD2 H 1 3.067 . . 1 . . . . . 155 R HD2 . 27835 1 275 . 1 1 67 67 ARG N N 15 118.694 . . 1 . . . . . 155 R N . 27835 1 276 . 1 1 68 68 TYR H H 1 7.384 . . 1 . . . . . 156 Y HN . 27835 1 277 . 1 1 68 68 TYR N N 15 120.879 . . 1 . . . . . 156 Y N . 27835 1 278 . 1 1 70 70 ASN H H 1 8.524 . . 1 . . . . . 158 N HN . 27835 1 279 . 1 1 70 70 ASN HA H 1 4.324 . . 1 . . . . . 158 N HA . 27835 1 280 . 1 1 70 70 ASN N N 15 116.226 . . 1 . . . . . 158 N N . 27835 1 281 . 1 1 71 71 GLN H H 1 7.273 . . 1 . . . . . 159 Q HN . 27835 1 282 . 1 1 71 71 GLN HA H 1 4.568 . . 1 . . . . . 159 Q HA . 27835 1 283 . 1 1 71 71 GLN N N 15 114.517 . . 1 . . . . . 159 Q N . 27835 1 284 . 1 1 72 72 VAL H H 1 8.430 . . 1 . . . . . 160 V HN . 27835 1 285 . 1 1 72 72 VAL HA H 1 4.909 . . 1 . . . . . 160 V HA . 27835 1 286 . 1 1 72 72 VAL N N 15 112.733 . . 1 . . . . . 160 V N . 27835 1 287 . 1 1 73 73 TYR H H 1 8.473 . . 1 . . . . . 161 Y HN . 27835 1 288 . 1 1 73 73 TYR N N 15 121.066 . . 1 . . . . . 161 Y N . 27835 1 289 . 1 1 74 74 TYR H H 1 8.495 . . 1 . . . . . 162 Y HN . 27835 1 290 . 1 1 74 74 TYR CA C 13 55.965 . . 1 . . . . . 162 Y CA . 27835 1 291 . 1 1 74 74 TYR CB C 13 39.712 . . 1 . . . . . 162 Y CB . 27835 1 292 . 1 1 74 74 TYR N N 15 111.025 . . 1 . . . . . 162 Y N . 27835 1 293 . 1 1 75 75 ARG H H 1 7.979 . . 1 . . . . . 163 R HN . 27835 1 294 . 1 1 75 75 ARG CA C 13 53.198 . . 1 . . . . . 163 R CA . 27835 1 295 . 1 1 75 75 ARG CB C 13 29.683 . . 1 . . . . . 163 R CB . 27835 1 296 . 1 1 75 75 ARG N N 15 120.176 . . 1 . . . . . 163 R N . 27835 1 297 . 1 1 83 83 GLN H H 1 8.635 . . 1 . . . . . 171 Q HN . 27835 1 298 . 1 1 83 83 GLN CA C 13 59.099 . . 1 . . . . . 171 Q CA . 27835 1 299 . 1 1 83 83 GLN CB C 13 29.105 . . 1 . . . . . 171 Q CB . 27835 1 300 . 1 1 83 83 GLN N N 15 120.311 . . 1 . . . . . 171 Q N . 27835 1 301 . 1 1 84 84 ASN H H 1 8.368 . . 1 . . . . . 172 N HN . 27835 1 302 . 1 1 84 84 ASN HB2 H 1 2.721 . . 1 . . . . . 172 N HB# . 27835 1 303 . 1 1 84 84 ASN HB3 H 1 2.721 . . 1 . . . . . 172 N HB# . 27835 1 304 . 1 1 84 84 ASN CA C 13 56.488 . . 1 . . . . . 172 N CA . 27835 1 305 . 1 1 84 84 ASN CB C 13 37.740 . . 1 . . . . . 172 N CB . 27835 1 306 . 1 1 84 84 ASN N N 15 117.009 . . 1 . . . . . 172 N N . 27835 1 307 . 1 1 85 85 ASN H H 1 8.544 . . 1 . . . . . 173 N HN . 27835 1 308 . 1 1 85 85 ASN HA H 1 4.550 . . 1 . . . . . 173 N HA . 27835 1 309 . 1 1 85 85 ASN HB2 H 1 2.704 . . 1 . . . . . 173 N HB1 . 27835 1 310 . 1 1 85 85 ASN HB3 H 1 2.933 . . 1 . . . . . 173 N HB2 . 27835 1 311 . 1 1 85 85 ASN CA C 13 55.942 . . 1 . . . . . 173 N CA . 27835 1 312 . 1 1 85 85 ASN CB C 13 37.880 . . 1 . . . . . 173 N CB . 27835 1 313 . 1 1 85 85 ASN N N 15 118.448 . . 1 . . . . . 173 N N . 27835 1 314 . 1 1 86 86 PHE CA C 13 60.964 . . 1 . . . . . 174 F CA . 27835 1 315 . 1 1 86 86 PHE CB C 13 39.046 . . 1 . . . . . 174 F CB . 27835 1 316 . 1 1 87 87 VAL H H 1 8.906 . . 1 . . . . . 175 V HN . 27835 1 317 . 1 1 87 87 VAL CA C 13 67.541 . . 1 . . . . . 175 V CA . 27835 1 318 . 1 1 87 87 VAL CB C 13 31.806 . . 1 . . . . . 175 V CB . 27835 1 319 . 1 1 87 87 VAL N N 15 120.127 . . 1 . . . . . 175 V N . 27835 1 320 . 1 1 88 88 HIS H H 1 8.309 . . 1 . . . . . 176 H HN . 27835 1 321 . 1 1 88 88 HIS HA H 1 4.292 . . 1 . . . . . 176 H HA . 27835 1 322 . 1 1 88 88 HIS HB2 H 1 3.350 . . 1 . . . . . 176 H HB# . 27835 1 323 . 1 1 88 88 HIS HB3 H 1 3.350 . . 1 . . . . . 176 H HB# . 27835 1 324 . 1 1 88 88 HIS CA C 13 59.454 . . 1 . . . . . 176 H CA . 27835 1 325 . 1 1 88 88 HIS CB C 13 28.454 . . 1 . . . . . 176 H CB . 27835 1 326 . 1 1 88 88 HIS N N 15 116.664 . . 1 . . . . . 176 H N . 27835 1 327 . 1 1 89 89 ASP H H 1 7.566 . . 1 . . . . . 177 D HN . 27835 1 328 . 1 1 89 89 ASP HA H 1 4.549 . . 1 . . . . . 177 D HA . 27835 1 329 . 1 1 89 89 ASP CA C 13 57.162 . . 1 . . . . . 177 D CA . 27835 1 330 . 1 1 89 89 ASP CB C 13 40.972 . . 1 . . . . . 177 D CB . 27835 1 331 . 1 1 89 89 ASP N N 15 118.625 . . 1 . . . . . 177 D N . 27835 1 332 . 1 1 90 90 CYS H H 1 8.187 . . 1 . . . . . 178 C HN . 27835 1 333 . 1 1 90 90 CYS CA C 13 58.733 . . 1 . . . . . 178 C CA . 27835 1 334 . 1 1 90 90 CYS CB C 13 41.085 . . 1 . . . . . 178 C CB . 27835 1 335 . 1 1 90 90 CYS N N 15 119.441 . . 1 . . . . . 178 C N . 27835 1 336 . 1 1 91 91 VAL H H 1 9.157 . . 1 . . . . . 179 V HN . 27835 1 337 . 1 1 91 91 VAL HA H 1 3.661 . . 1 . . . . . 179 V HA . 27835 1 338 . 1 1 91 91 VAL HB H 1 2.140 . . 1 . . . . . 179 V HB . 27835 1 339 . 1 1 91 91 VAL HG11 H 1 1.052 . . 1 . . . . . 179 V HG1# . 27835 1 340 . 1 1 91 91 VAL HG12 H 1 1.052 . . 1 . . . . . 179 V HG1# . 27835 1 341 . 1 1 91 91 VAL HG13 H 1 1.052 . . 1 . . . . . 179 V HG1# . 27835 1 342 . 1 1 91 91 VAL CA C 13 65.982 . . 1 . . . . . 179 V CA . 27835 1 343 . 1 1 91 91 VAL CB C 13 31.877 . . 1 . . . . . 179 V CB . 27835 1 344 . 1 1 91 91 VAL N N 15 124.344 . . 1 . . . . . 179 V N . 27835 1 345 . 1 1 92 92 ASN H H 1 7.568 . . 1 . . . . . 180 N HN . 27835 1 346 . 1 1 92 92 ASN HA H 1 4.296 . . 1 . . . . . 180 N HA . 27835 1 347 . 1 1 92 92 ASN HB2 H 1 2.742 . . 1 . . . . . 180 N HB1 . 27835 1 348 . 1 1 92 92 ASN HB3 H 1 2.844 . . 1 . . . . . 180 N HB2 . 27835 1 349 . 1 1 92 92 ASN CA C 13 56.602 . . 1 . . . . . 180 N CA . 27835 1 350 . 1 1 92 92 ASN CB C 13 38.953 . . 1 . . . . . 180 N CB . 27835 1 351 . 1 1 92 92 ASN N N 15 116.295 . . 1 . . . . . 180 N N . 27835 1 352 . 1 1 93 93 ILE H H 1 8.761 . . 1 . . . . . 181 I HN . 27835 1 353 . 1 1 93 93 ILE HA H 1 3.703 . . 1 . . . . . 181 I HA . 27835 1 354 . 1 1 93 93 ILE HB H 1 1.615 . . 1 . . . . . 181 I HB . 27835 1 355 . 1 1 93 93 ILE N N 15 118.713 . . 1 . . . . . 181 I N . 27835 1 356 . 1 1 95 95 ILE H H 1 8.489 . . 1 . . . . . 183 I HN . 27835 1 357 . 1 1 95 95 ILE CA C 13 65.949 . . 1 . . . . . 183 I CA . 27835 1 358 . 1 1 95 95 ILE CB C 13 36.678 . . 1 . . . . . 183 I CB . 27835 1 359 . 1 1 95 95 ILE N N 15 120.743 . . 1 . . . . . 183 I N . 27835 1 360 . 1 1 96 96 LYS H H 1 8.079 . . 1 . . . . . 184 K HN . 27835 1 361 . 1 1 96 96 LYS HA H 1 4.056 . . 1 . . . . . 184 K HA . 27835 1 362 . 1 1 96 96 LYS CA C 13 59.852 . . 1 . . . . . 184 K CA . 27835 1 363 . 1 1 96 96 LYS CB C 13 31.981 . . 1 . . . . . 184 K CB . 27835 1 364 . 1 1 96 96 LYS N N 15 122.818 . . 1 . . . . . 184 K N . 27835 1 365 . 1 1 97 97 GLN H H 1 8.432 . . 1 . . . . . 185 Q HN . 27835 1 366 . 1 1 97 97 GLN HA H 1 4.073 . . 1 . . . . . 185 Q HA . 27835 1 367 . 1 1 97 97 GLN HB2 H 1 1.906 . . 1 . . . . . 185 Q HB2 . 27835 1 368 . 1 1 97 97 GLN HG2 H 1 2.020 . . 1 . . . . . 185 Q HG# . 27835 1 369 . 1 1 97 97 GLN HG3 H 1 2.020 . . 1 . . . . . 185 Q HG# . 27835 1 370 . 1 1 97 97 GLN CA C 13 57.830 . . 1 . . . . . 185 Q CA . 27835 1 371 . 1 1 97 97 GLN CB C 13 27.862 . . 1 . . . . . 185 Q CB . 27835 1 372 . 1 1 97 97 GLN N N 15 116.842 . . 1 . . . . . 185 Q N . 27835 1 373 . 1 1 98 98 HIS H H 1 8.352 . . 1 . . . . . 186 H HN . 27835 1 374 . 1 1 98 98 HIS HA H 1 4.570 . . 1 . . . . . 186 H HA . 27835 1 375 . 1 1 98 98 HIS HB2 H 1 3.171 . . 1 . . . . . 186 H HB1 . 27835 1 376 . 1 1 98 98 HIS HB3 H 1 3.345 . . 1 . . . . . 186 H HB2 . 27835 1 377 . 1 1 98 98 HIS CA C 13 59.365 . . 1 . . . . . 186 H CA . 27835 1 378 . 1 1 98 98 HIS CB C 13 31.355 . . 1 . . . . . 186 H CB . 27835 1 379 . 1 1 98 98 HIS N N 15 119.143 . . 1 . . . . . 186 H N . 27835 1 380 . 1 1 99 99 THR H H 1 8.390 . . 1 . . . . . 187 T HN . 27835 1 381 . 1 1 99 99 THR HA H 1 4.443 . . 1 . . . . . 187 T HA . 27835 1 382 . 1 1 99 99 THR HB H 1 4.079 . . 1 . . . . . 187 T HB . 27835 1 383 . 1 1 99 99 THR HG21 H 1 1.245 . . 1 . . . . . 187 T HG1 . 27835 1 384 . 1 1 99 99 THR HG22 H 1 1.245 . . 1 . . . . . 187 T HG1 . 27835 1 385 . 1 1 99 99 THR HG23 H 1 1.245 . . 1 . . . . . 187 T HG1 . 27835 1 386 . 1 1 99 99 THR CA C 13 65.811 . . 1 . . . . . 187 T CA . 27835 1 387 . 1 1 99 99 THR CB C 13 68.952 . . 1 . . . . . 187 T CB . 27835 1 388 . 1 1 99 99 THR N N 15 114.134 . . 1 . . . . . 187 T N . 27835 1 389 . 1 1 100 100 VAL H H 1 8.060 . . 1 . . . . . 188 V HN . 27835 1 390 . 1 1 100 100 VAL HA H 1 3.922 . . 1 . . . . . 188 V HA . 27835 1 391 . 1 1 100 100 VAL HB H 1 2.214 . . 1 . . . . . 188 V HB . 27835 1 392 . 1 1 100 100 VAL HG11 H 1 1.037 . . 1 . . . . . 188 V HG# . 27835 1 393 . 1 1 100 100 VAL HG12 H 1 1.037 . . 1 . . . . . 188 V HG# . 27835 1 394 . 1 1 100 100 VAL HG13 H 1 1.037 . . 1 . . . . . 188 V HG# . 27835 1 395 . 1 1 100 100 VAL HG21 H 1 1.037 . . 1 . . . . . 188 V HG# . 27835 1 396 . 1 1 100 100 VAL HG22 H 1 1.037 . . 1 . . . . . 188 V HG# . 27835 1 397 . 1 1 100 100 VAL HG23 H 1 1.037 . . 1 . . . . . 188 V HG# . 27835 1 398 . 1 1 100 100 VAL CA C 13 65.605 . . 1 . . . . . 188 V CA . 27835 1 399 . 1 1 100 100 VAL CB C 13 31.685 . . 1 . . . . . 188 V CB . 27835 1 400 . 1 1 100 100 VAL N N 15 122.474 . . 1 . . . . . 188 V N . 27835 1 401 . 1 1 101 101 THR H H 1 8.069 . . 1 . . . . . 189 T HN . 27835 1 402 . 1 1 101 101 THR HA H 1 4.138 . . 1 . . . . . 189 T HA . 27835 1 403 . 1 1 101 101 THR HG21 H 1 1.284 . . 1 . . . . . 189 T HG1 . 27835 1 404 . 1 1 101 101 THR HG22 H 1 1.284 . . 1 . . . . . 189 T HG1 . 27835 1 405 . 1 1 101 101 THR HG23 H 1 1.284 . . 1 . . . . . 189 T HG1 . 27835 1 406 . 1 1 101 101 THR CA C 13 64.567 . . 1 . . . . . 189 T CA . 27835 1 407 . 1 1 101 101 THR CB C 13 69.018 . . 1 . . . . . 189 T CB . 27835 1 408 . 1 1 101 101 THR N N 15 114.867 . . 1 . . . . . 189 T N . 27835 1 409 . 1 1 102 102 THR H H 1 7.996 . . 1 . . . . . 190 T HN . 27835 1 410 . 1 1 102 102 THR HA H 1 4.110 . . 1 . . . . . 190 T HA . 27835 1 411 . 1 1 102 102 THR HG21 H 1 0.949 . . 1 . . . . . 190 T HG1 . 27835 1 412 . 1 1 102 102 THR HG22 H 1 0.949 . . 1 . . . . . 190 T HG1 . 27835 1 413 . 1 1 102 102 THR HG23 H 1 0.949 . . 1 . . . . . 190 T HG1 . 27835 1 414 . 1 1 102 102 THR CA C 13 64.503 . . 1 . . . . . 190 T CA . 27835 1 415 . 1 1 102 102 THR CB C 13 68.793 . . 1 . . . . . 190 T CB . 27835 1 416 . 1 1 102 102 THR N N 15 114.466 . . 1 . . . . . 190 T N . 27835 1 417 . 1 1 103 103 THR H H 1 8.196 . . 1 . . . . . 191 T HN . 27835 1 418 . 1 1 103 103 THR HA H 1 4.350 . . 1 . . . . . 191 T HA . 27835 1 419 . 1 1 103 103 THR HB H 1 4.119 . . 1 . . . . . 191 T HB . 27835 1 420 . 1 1 103 103 THR HG21 H 1 1.313 . . 1 . . . . . 191 T HG1 . 27835 1 421 . 1 1 103 103 THR HG22 H 1 1.313 . . 1 . . . . . 191 T HG1 . 27835 1 422 . 1 1 103 103 THR HG23 H 1 1.313 . . 1 . . . . . 191 T HG1 . 27835 1 423 . 1 1 103 103 THR CA C 13 64.699 . . 1 . . . . . 191 T CA . 27835 1 424 . 1 1 103 103 THR CB C 13 68.927 . . 1 . . . . . 191 T CB . 27835 1 425 . 1 1 103 103 THR N N 15 117.350 . . 1 . . . . . 191 T N . 27835 1 426 . 1 1 104 104 THR H H 1 7.834 . . 1 . . . . . 192 T HN . 27835 1 427 . 1 1 104 104 THR HA H 1 4.213 . . 1 . . . . . 192 T HA . 27835 1 428 . 1 1 104 104 THR HG21 H 1 1.290 . . 1 . . . . . 192 T HG1 . 27835 1 429 . 1 1 104 104 THR HG22 H 1 1.290 . . 1 . . . . . 192 T HG1 . 27835 1 430 . 1 1 104 104 THR HG23 H 1 1.290 . . 1 . . . . . 192 T HG1 . 27835 1 431 . 1 1 104 104 THR CA C 13 64.063 . . 1 . . . . . 192 T CA . 27835 1 432 . 1 1 104 104 THR CB C 13 68.934 . . 1 . . . . . 192 T CB . 27835 1 433 . 1 1 104 104 THR N N 15 115.967 . . 1 . . . . . 192 T N . 27835 1 434 . 1 1 105 105 LYS H H 1 7.612 . . 1 . . . . . 193 K HN . 27835 1 435 . 1 1 105 105 LYS HA H 1 4.362 . . 1 . . . . . 193 K HA . 27835 1 436 . 1 1 105 105 LYS CA C 13 56.088 . . 1 . . . . . 193 K CA . 27835 1 437 . 1 1 105 105 LYS CB C 13 32.517 . . 1 . . . . . 193 K CB . 27835 1 438 . 1 1 105 105 LYS N N 15 120.174 . . 1 . . . . . 193 K N . 27835 1 439 . 1 1 106 106 GLY H H 1 7.970 . . 1 . . . . . 194 G HN . 27835 1 440 . 1 1 106 106 GLY HA2 H 1 3.805 . . 1 . . . . . 194 G HA1 . 27835 1 441 . 1 1 106 106 GLY HA3 H 1 4.130 . . 1 . . . . . 194 G HA2 . 27835 1 442 . 1 1 106 106 GLY CA C 13 45.481 . . 1 . . . . . 194 G CA . 27835 1 443 . 1 1 106 106 GLY N N 15 108.168 . . 1 . . . . . 194 G N . 27835 1 444 . 1 1 107 107 GLU H H 1 7.564 . . 1 . . . . . 195 E HN . 27835 1 445 . 1 1 107 107 GLU HA H 1 4.257 . . 1 . . . . . 195 E HA . 27835 1 446 . 1 1 107 107 GLU HB2 H 1 1.603 . . 1 . . . . . 195 E HB# . 27835 1 447 . 1 1 107 107 GLU HB3 H 1 1.603 . . 1 . . . . . 195 E HB# . 27835 1 448 . 1 1 107 107 GLU HG2 H 1 1.944 . . 1 . . . . . 195 E HG2 . 27835 1 449 . 1 1 107 107 GLU CA C 13 55.638 . . 1 . . . . . 195 E CA . 27835 1 450 . 1 1 107 107 GLU CB C 13 30.872 . . 1 . . . . . 195 E CB . 27835 1 451 . 1 1 107 107 GLU N N 15 120.098 . . 1 . . . . . 195 E N . 27835 1 452 . 1 1 108 108 ASN H H 1 8.469 . . 1 . . . . . 196 N HN . 27835 1 453 . 1 1 108 108 ASN HA H 1 4.684 . . 1 . . . . . 196 N HA . 27835 1 454 . 1 1 108 108 ASN HB2 H 1 2.637 . . 1 . . . . . 196 N HB# . 27835 1 455 . 1 1 108 108 ASN HB3 H 1 2.637 . . 1 . . . . . 196 N HB# . 27835 1 456 . 1 1 108 108 ASN CA C 13 52.666 . . 1 . . . . . 196 N CA . 27835 1 457 . 1 1 108 108 ASN CB C 13 40.590 . . 1 . . . . . 196 N CB . 27835 1 458 . 1 1 108 108 ASN N N 15 119.569 . . 1 . . . . . 196 N N . 27835 1 459 . 1 1 109 109 PHE H H 1 8.642 . . 1 . . . . . 197 F HN . 27835 1 460 . 1 1 109 109 PHE HA H 1 5.288 . . 1 . . . . . 197 F HA . 27835 1 461 . 1 1 109 109 PHE HB2 H 1 2.948 . . 1 . . . . . 197 F HB1 . 27835 1 462 . 1 1 109 109 PHE HB3 H 1 3.154 . . 1 . . . . . 197 F HB2 . 27835 1 463 . 1 1 109 109 PHE CA C 13 56.675 . . 1 . . . . . 197 F CA . 27835 1 464 . 1 1 109 109 PHE CB C 13 40.191 . . 1 . . . . . 197 F CB . 27835 1 465 . 1 1 109 109 PHE N N 15 121.780 . . 1 . . . . . 197 F N . 27835 1 466 . 1 1 110 110 THR H H 1 9.510 . . 1 . . . . . 198 T HN . 27835 1 467 . 1 1 110 110 THR HA H 1 4.657 . . 1 . . . . . 198 T HA . 27835 1 468 . 1 1 110 110 THR HG21 H 1 1.442 . . 1 . . . . . 198 T HG2# . 27835 1 469 . 1 1 110 110 THR HG22 H 1 1.442 . . 1 . . . . . 198 T HG2# . 27835 1 470 . 1 1 110 110 THR HG23 H 1 1.442 . . 1 . . . . . 198 T HG2# . 27835 1 471 . 1 1 110 110 THR CA C 13 60.451 . . 1 . . . . . 198 T CA . 27835 1 472 . 1 1 110 110 THR CB C 13 72.028 . . 1 . . . . . 198 T CB . 27835 1 473 . 1 1 110 110 THR N N 15 115.844 . . 1 . . . . . 198 T N . 27835 1 474 . 1 1 111 111 GLU H H 1 9.131 . . 1 . . . . . 199 E HN . 27835 1 475 . 1 1 111 111 GLU HA H 1 4.073 . . 1 . . . . . 199 E HA . 27835 1 476 . 1 1 111 111 GLU CA C 13 60.016 . . 1 . . . . . 199 E CA . 27835 1 477 . 1 1 111 111 GLU CB C 13 29.058 . . 1 . . . . . 199 E CB . 27835 1 478 . 1 1 111 111 GLU N N 15 119.975 . . 1 . . . . . 199 E N . 27835 1 479 . 1 1 112 112 THR H H 1 7.927 . . 1 . . . . . 200 T HN . 27835 1 480 . 1 1 112 112 THR HA H 1 3.806 . . 1 . . . . . 200 T HA . 27835 1 481 . 1 1 112 112 THR CA C 13 66.761 . . 1 . . . . . 200 T CA . 27835 1 482 . 1 1 112 112 THR CB C 13 68.432 . . 1 . . . . . 200 T CB . 27835 1 483 . 1 1 112 112 THR N N 15 116.331 . . 1 . . . . . 200 T N . 27835 1 484 . 1 1 113 113 ASP H H 1 7.515 . . 1 . . . . . 201 D HN . 27835 1 485 . 1 1 113 113 ASP HA H 1 4.622 . . 1 . . . . . 201 D HA . 27835 1 486 . 1 1 113 113 ASP HB2 H 1 2.653 . . 1 . . . . . 201 D HB# . 27835 1 487 . 1 1 113 113 ASP HB3 H 1 2.653 . . 1 . . . . . 201 D HB# . 27835 1 488 . 1 1 113 113 ASP N N 15 119.949 . . 1 . . . . . 201 D N . 27835 1 489 . 1 1 114 114 VAL H H 1 8.225 . . 1 . . . . . 202 V HN . 27835 1 490 . 1 1 114 114 VAL HA H 1 3.328 . . 1 . . . . . 202 V HA . 27835 1 491 . 1 1 114 114 VAL HG11 H 1 0.968 . . 1 . . . . . 202 V HG# . 27835 1 492 . 1 1 114 114 VAL HG12 H 1 0.968 . . 1 . . . . . 202 V HG# . 27835 1 493 . 1 1 114 114 VAL HG13 H 1 0.968 . . 1 . . . . . 202 V HG# . 27835 1 494 . 1 1 114 114 VAL HG21 H 1 0.968 . . 1 . . . . . 202 V HG# . 27835 1 495 . 1 1 114 114 VAL HG22 H 1 0.968 . . 1 . . . . . 202 V HG# . 27835 1 496 . 1 1 114 114 VAL HG23 H 1 0.968 . . 1 . . . . . 202 V HG# . 27835 1 497 . 1 1 114 114 VAL CA C 13 67.621 . . 1 . . . . . 202 V CA . 27835 1 498 . 1 1 114 114 VAL CB C 13 31.548 . . 1 . . . . . 202 V CB . 27835 1 499 . 1 1 114 114 VAL N N 15 119.617 . . 1 . . . . . 202 V N . 27835 1 500 . 1 1 115 115 LYS H H 1 7.704 . . 1 . . . . . 203 K HN . 27835 1 501 . 1 1 115 115 LYS HA H 1 4.081 . . 1 . . . . . 203 K HA . 27835 1 502 . 1 1 115 115 LYS HB2 H 1 1.952 . . 1 . . . . . 203 K HB# . 27835 1 503 . 1 1 115 115 LYS HB3 H 1 1.952 . . 1 . . . . . 203 K HB# . 27835 1 504 . 1 1 115 115 LYS CA C 13 59.195 . . 1 . . . . . 203 K CA . 27835 1 505 . 1 1 115 115 LYS CB C 13 31.813 . . 1 . . . . . 203 K CB . 27835 1 506 . 1 1 115 115 LYS N N 15 119.171 . . 1 . . . . . 203 K N . 27835 1 507 . 1 1 116 116 MET H H 1 8.174 . . 1 . . . . . 204 M HN . 27835 1 508 . 1 1 116 116 MET HA H 1 4.157 . . 1 . . . . . 204 M HA . 27835 1 509 . 1 1 116 116 MET HB2 H 1 1.939 . . 1 . . . . . 204 M HB# . 27835 1 510 . 1 1 116 116 MET HB3 H 1 1.939 . . 1 . . . . . 204 M HB# . 27835 1 511 . 1 1 116 116 MET HG2 H 1 2.351 . . 1 . . . . . 204 M HG# . 27835 1 512 . 1 1 116 116 MET HG3 H 1 2.351 . . 1 . . . . . 204 M HG# . 27835 1 513 . 1 1 116 116 MET CA C 13 59.671 . . 1 . . . . . 204 M CA . 27835 1 514 . 1 1 116 116 MET CB C 13 32.765 . . 1 . . . . . 204 M CB . 27835 1 515 . 1 1 116 116 MET N N 15 118.473 . . 1 . . . . . 204 M N . 27835 1 516 . 1 1 117 117 MET H H 1 8.698 . . 1 . . . . . 205 M HN . 27835 1 517 . 1 1 117 117 MET HA H 1 3.547 . . 1 . . . . . 205 M HA . 27835 1 518 . 1 1 117 117 MET CA C 13 59.796 . . 1 . . . . . 205 M CA . 27835 1 519 . 1 1 117 117 MET CB C 13 33.536 . . 1 . . . . . 205 M CB . 27835 1 520 . 1 1 117 117 MET N N 15 118.140 . . 1 . . . . . 205 M N . 27835 1 521 . 1 1 118 118 GLU H H 1 8.472 . . 1 . . . . . 206 E HN . 27835 1 522 . 1 1 118 118 GLU CA C 13 60.556 . . 1 . . . . . 206 E CA . 27835 1 523 . 1 1 118 118 GLU CB C 13 28.662 . . 1 . . . . . 206 E CB . 27835 1 524 . 1 1 118 118 GLU N N 15 118.535 . . 1 . . . . . 206 E N . 27835 1 525 . 1 1 119 119 ARG H H 1 7.294 . . 1 . . . . . 207 R HN . 27835 1 526 . 1 1 119 119 ARG HA H 1 4.180 . . 1 . . . . . 207 R HA . 27835 1 527 . 1 1 119 119 ARG HB2 H 1 2.061 . . 1 . . . . . 207 R HB1 . 27835 1 528 . 1 1 119 119 ARG HB3 H 1 2.179 . . 1 . . . . . 207 R HB2 . 27835 1 529 . 1 1 119 119 ARG HG2 H 1 1.756 . . 1 . . . . . 207 R HG1 . 27835 1 530 . 1 1 119 119 ARG HG3 H 1 1.906 . . 1 . . . . . 207 R HG2 . 27835 1 531 . 1 1 119 119 ARG CA C 13 58.292 . . 1 . . . . . 207 R CA . 27835 1 532 . 1 1 119 119 ARG CB C 13 29.983 . . 1 . . . . . 207 R CB . 27835 1 533 . 1 1 119 119 ARG N N 15 116.854 . . 1 . . . . . 207 R N . 27835 1 534 . 1 1 120 120 VAL H H 1 8.219 . . 1 . . . . . 208 V HN . 27835 1 535 . 1 1 120 120 VAL HA H 1 3.752 . . 1 . . . . . 208 V HA . 27835 1 536 . 1 1 120 120 VAL HG11 H 1 1.261 . . 1 . . . . . 208 V HG1# . 27835 1 537 . 1 1 120 120 VAL HG12 H 1 1.261 . . 1 . . . . . 208 V HG1# . 27835 1 538 . 1 1 120 120 VAL HG13 H 1 1.261 . . 1 . . . . . 208 V HG1# . 27835 1 539 . 1 1 120 120 VAL CA C 13 65.842 . . 1 . . . . . 208 V CA . 27835 1 540 . 1 1 120 120 VAL CB C 13 32.272 . . 1 . . . . . 208 V CB . 27835 1 541 . 1 1 120 120 VAL N N 15 119.046 . . 1 . . . . . 208 V N . 27835 1 542 . 1 1 121 121 VAL H H 1 9.036 . . 1 . . . . . 209 V HN . 27835 1 543 . 1 1 121 121 VAL HA H 1 3.654 . . 1 . . . . . 209 V HA . 27835 1 544 . 1 1 121 121 VAL HB H 1 2.248 . . 1 . . . . . 209 V HB . 27835 1 545 . 1 1 121 121 VAL HG11 H 1 1.245 . . 1 . . . . . 209 V HG1# . 27835 1 546 . 1 1 121 121 VAL HG12 H 1 1.245 . . 1 . . . . . 209 V HG1# . 27835 1 547 . 1 1 121 121 VAL HG13 H 1 1.245 . . 1 . . . . . 209 V HG1# . 27835 1 548 . 1 1 121 121 VAL HG21 H 1 0.945 . . 1 . . . . . 209 V HG2# . 27835 1 549 . 1 1 121 121 VAL HG22 H 1 0.945 . . 1 . . . . . 209 V HG2# . 27835 1 550 . 1 1 121 121 VAL HG23 H 1 0.945 . . 1 . . . . . 209 V HG2# . 27835 1 551 . 1 1 121 121 VAL CA C 13 66.465 . . 1 . . . . . 209 V CA . 27835 1 552 . 1 1 121 121 VAL CB C 13 31.093 . . 1 . . . . . 209 V CB . 27835 1 553 . 1 1 121 121 VAL N N 15 120.884 . . 1 . . . . . 209 V N . 27835 1 554 . 1 1 122 122 GLU H H 1 8.112 . . 1 . . . . . 210 E HN . 27835 1 555 . 1 1 122 122 GLU HA H 1 3.587 . . 1 . . . . . 210 E HA . 27835 1 556 . 1 1 122 122 GLU CA C 13 61.145 . . 1 . . . . . 210 E CA . 27835 1 557 . 1 1 122 122 GLU CB C 13 28.930 . . 1 . . . . . 210 E CB . 27835 1 558 . 1 1 122 122 GLU N N 15 120.617 . . 1 . . . . . 210 E N . 27835 1 559 . 1 1 123 123 GLN H H 1 7.168 . . 1 . . . . . 211 Q HN . 27835 1 560 . 1 1 123 123 GLN HA H 1 3.979 . . 1 . . . . . 211 Q HA . 27835 1 561 . 1 1 123 123 GLN HB2 H 1 2.128 . . 1 . . . . . 211 Q HB# . 27835 1 562 . 1 1 123 123 GLN HB3 H 1 2.128 . . 1 . . . . . 211 Q HB# . 27835 1 563 . 1 1 123 123 GLN HG2 H 1 2.417 . . 1 . . . . . 211 Q HG# . 27835 1 564 . 1 1 123 123 GLN HG3 H 1 2.417 . . 1 . . . . . 211 Q HG# . 27835 1 565 . 1 1 123 123 GLN CA C 13 58.949 . . 1 . . . . . 211 Q CA . 27835 1 566 . 1 1 123 123 GLN CB C 13 27.803 . . 1 . . . . . 211 Q CB . 27835 1 567 . 1 1 123 123 GLN N N 15 115.487 . . 1 . . . . . 211 Q N . 27835 1 568 . 1 1 124 124 MET H H 1 8.189 . . 1 . . . . . 212 M HN . 27835 1 569 . 1 1 124 124 MET CA C 13 59.866 . . 1 . . . . . 212 M CA . 27835 1 570 . 1 1 124 124 MET CB C 13 34.463 . . 1 . . . . . 212 M CB . 27835 1 571 . 1 1 124 124 MET N N 15 119.451 . . 1 . . . . . 212 M N . 27835 1 572 . 1 1 125 125 CYS H H 1 9.173 . . 1 . . . . . 213 C HN . 27835 1 573 . 1 1 125 125 CYS CA C 13 59.992 . . 1 . . . . . 213 C CA . 27835 1 574 . 1 1 125 125 CYS CB C 13 41.902 . . 1 . . . . . 213 C CB . 27835 1 575 . 1 1 125 125 CYS N N 15 119.078 . . 1 . . . . . 213 C N . 27835 1 576 . 1 1 126 126 VAL H H 1 8.463 . . 1 . . . . . 214 V HN . 27835 1 577 . 1 1 126 126 VAL CA C 13 67.531 . . 1 . . . . . 214 V CA . 27835 1 578 . 1 1 126 126 VAL CB C 13 31.368 . . 1 . . . . . 214 V CB . 27835 1 579 . 1 1 126 126 VAL N N 15 123.239 . . 1 . . . . . 214 V N . 27835 1 580 . 1 1 127 127 THR H H 1 8.108 . . 1 . . . . . 215 T HN . 27835 1 581 . 1 1 127 127 THR HA H 1 4.304 . . 1 . . . . . 215 T HA . 27835 1 582 . 1 1 127 127 THR HB H 1 3.881 . . 1 . . . . . 215 T HB . 27835 1 583 . 1 1 127 127 THR N N 15 117.884 . . 1 . . . . . 215 T N . 27835 1 584 . 1 1 129 129 TYR H H 1 8.500 . . 1 . . . . . 217 Y HN . 27835 1 585 . 1 1 129 129 TYR HB2 H 1 2.700 . . 1 . . . . . 217 Y HB1 . 27835 1 586 . 1 1 129 129 TYR HB3 H 1 2.920 . . 1 . . . . . 217 Y HB2 . 27835 1 587 . 1 1 129 129 TYR N N 15 119.996 . . 1 . . . . . 217 Y N . 27835 1 588 . 1 1 135 135 ALA H H 1 7.574 . . 1 . . . . . 223 A HN . 27835 1 589 . 1 1 135 135 ALA HA H 1 4.182 . . 1 . . . . . 223 A HA . 27835 1 590 . 1 1 135 135 ALA HB1 H 1 1.392 . . 1 . . . . . 223 A HB# . 27835 1 591 . 1 1 135 135 ALA HB2 H 1 1.392 . . 1 . . . . . 223 A HB# . 27835 1 592 . 1 1 135 135 ALA HB3 H 1 1.392 . . 1 . . . . . 223 A HB# . 27835 1 593 . 1 1 135 135 ALA CA C 13 53.881 . . 1 . . . . . 223 A CA . 27835 1 594 . 1 1 135 135 ALA CB C 13 18.273 . . 1 . . . . . 223 A CB . 27835 1 595 . 1 1 135 135 ALA N N 15 120.750 . . 1 . . . . . 223 A N . 27835 1 596 . 1 1 137 137 TYR CA C 13 59.701 . . 1 . . . . . 225 Y CA . 27835 1 597 . 1 1 137 137 TYR CB C 13 38.256 . . 1 . . . . . 225 Y CB . 27835 1 598 . 1 1 138 138 ASP H H 1 8.194 . . 1 . . . . . 226 D HN . 27835 1 599 . 1 1 138 138 ASP HA H 1 4.502 . . 1 . . . . . 226 D HA . 27835 1 600 . 1 1 138 138 ASP HB2 H 1 2.716 . . 1 . . . . . 226 D HB# . 27835 1 601 . 1 1 138 138 ASP HB3 H 1 2.716 . . 1 . . . . . 226 D HB# . 27835 1 602 . 1 1 138 138 ASP CA C 13 55.129 . . 1 . . . . . 226 D CA . 27835 1 603 . 1 1 138 138 ASP CB C 13 40.773 . . 1 . . . . . 226 D CB . 27835 1 604 . 1 1 138 138 ASP N N 15 120.903 . . 1 . . . . . 226 D N . 27835 1 605 . 1 1 139 139 GLY H H 1 7.855 . . 1 . . . . . 227 G HN . 27835 1 606 . 1 1 139 139 GLY HA2 H 1 3.898 . . 1 . . . . . 227 G HA# . 27835 1 607 . 1 1 139 139 GLY HA3 H 1 3.898 . . 1 . . . . . 227 G HA# . 27835 1 608 . 1 1 139 139 GLY CA C 13 45.665 . . 1 . . . . . 227 G CA . 27835 1 609 . 1 1 139 139 GLY N N 15 107.942 . . 1 . . . . . 227 G N . 27835 1 610 . 1 1 140 140 ARG H H 1 7.839 . . 1 . . . . . 228 R HN . 27835 1 611 . 1 1 140 140 ARG HA H 1 4.283 . . 1 . . . . . 228 R HA . 27835 1 612 . 1 1 140 140 ARG HB2 H 1 1.713 . . 1 . . . . . 228 R HB1 . 27835 1 613 . 1 1 140 140 ARG HB3 H 1 1.832 . . 1 . . . . . 228 R HB2 . 27835 1 614 . 1 1 140 140 ARG HG2 H 1 1.538 . . 1 . . . . . 228 R HG# . 27835 1 615 . 1 1 140 140 ARG HG3 H 1 1.538 . . 1 . . . . . 228 R HG# . 27835 1 616 . 1 1 140 140 ARG CA C 13 55.952 . . 1 . . . . . 228 R CA . 27835 1 617 . 1 1 140 140 ARG CB C 13 30.400 . . 1 . . . . . 228 R CB . 27835 1 618 . 1 1 140 140 ARG N N 15 119.832 . . 1 . . . . . 228 R N . 27835 1 619 . 1 1 142 142 SER H H 1 8.350 . . 1 . . . . . 230 S HN . 27835 1 620 . 1 1 142 142 SER HA H 1 4.497 . . 1 . . . . . 230 S HA . 27835 1 621 . 1 1 142 142 SER HB2 H 1 3.882 . . 1 . . . . . 230 S HB# . 27835 1 622 . 1 1 142 142 SER HB3 H 1 3.882 . . 1 . . . . . 230 S HB# . 27835 1 623 . 1 1 142 142 SER CA C 13 58.396 . . 1 . . . . . 230 S CA . 27835 1 624 . 1 1 142 142 SER CB C 13 64.094 . . 1 . . . . . 230 S CB . 27835 1 625 . 1 1 142 142 SER N N 15 117.359 . . 1 . . . . . 230 S N . 27835 1 626 . 1 1 143 143 SER H H 1 7.962 . . 1 . . . . . 231 S HN . 27835 1 627 . 1 1 143 143 SER HA H 1 4.278 . . 1 . . . . . 231 S HA . 27835 1 628 . 1 1 143 143 SER HB2 H 1 3.864 . . 1 . . . . . 231 S HB# . 27835 1 629 . 1 1 143 143 SER HB3 H 1 3.864 . . 1 . . . . . 231 S HB# . 27835 1 630 . 1 1 143 143 SER HG H 1 6.490 . . 1 . . . . . 231 S HG . 27835 1 631 . 1 1 143 143 SER CA C 13 59.861 . . 1 . . . . . 231 S CA . 27835 1 632 . 1 1 143 143 SER CB C 13 64.631 . . 1 . . . . . 231 S CB . 27835 1 633 . 1 1 143 143 SER N N 15 122.820 . . 1 . . . . . 231 S N . 27835 1 stop_ save_