data_16706 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16706 _Entry.Title ; 1H, 13C, and 15N chemical shift assignments for H2H2, a mini prion protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-02-04 _Entry.Accession_date 2010-02-04 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Annalisa Pastore . . . 16706 2 Kris Pauwels . . . 16706 3 Miquel Adrover . . . 16706 4 Cesira 'de Chiara' . . . 16706 5 Stephanie Prigent . . . 16706 6 Human Rezeai . . . 16706 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16706 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Pastore Group, NIMR' . 16706 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Fibrilization core' . 16706 H2H3 . 16706 'Peptide folding' . 16706 'Prion Protein' . 16706 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16706 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 194 16706 '15N chemical shifts' 72 16706 '1H chemical shifts' 420 16706 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 3 . . 2010-08-12 2010-02-04 update BMRB 'complete entry citation' 16706 2 . . 2010-05-18 2010-02-04 update BMRB 'update entry citation' 16706 1 . . 2010-03-31 2010-02-04 original author 'original release' 16706 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1tpx . 16706 PDB 1tqb . 16706 PDB 1xyu . 16706 PDB 1y2s . 16706 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16706 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20375014 _Citation.Full_citation . _Citation.Title 'Prion fibrillization is mediated by a native structural element that comprises helices H2 and H3.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 285 _Citation.Journal_issue 27 _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 21004 _Citation.Page_last 21012 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Miquel Adrover . . . 16706 1 2 Kris Pauwels . . . 16706 1 3 Stephanie Prigent . . . 16706 1 4 Cesira 'de Chiara' . . . 16706 1 5 Zhou Xu . . . 16706 1 6 Celine Chapuis . . . 16706 1 7 Annalisa Pastore . . . 16706 1 8 Human Rezaei . . . 16706 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Aggregation 16706 1 'Amyloid fibers' 16706 1 'Prion protein' 16706 1 Sheep 16706 1 'Solution NMR' 16706 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16706 _Assembly.ID 1 _Assembly.Name H2H3 _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 H2H3 1 $H2H3 A . yes native no no . . . 16706 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 37 37 SG . 1 . 1 CYS 72 72 SG . . 182 CYS SG . . 217 CYS SG 16706 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_H2H3 _Entity.Sf_category entity _Entity.Sf_framecode H2H3 _Entity.Entry_ID 16706 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name H2H3 _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 ; MGSSHHHHHHSSGLVPRGSH MRPVDQYSNQNNFVHDCVNI TVKQHTVTTTTKGENFTETD IKAMERVVEQMCITQYQRES QAYYQRGAS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'The first 21 residues represents a non-native his-tag. Residues 22-89 represent residues 167-234 of the native ovine PrP.' _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 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'H2H3 fragment from ARQ variant of ovine prion protein.' _Entity.Mutation I208A _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10227.3 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KTM . "Solution Nmr Structure Of H2h3 Domain Of Ovine Prion Protein (residues 167-234)" . . . . . 100.00 89 100.00 100.00 1.26e-58 . . . . 16706 1 2 no GB AAQ81754 . "prion protein [Ovis aries]" . . . . . 75.28 80 97.01 98.51 1.25e-39 . . . . 16706 1 3 no GB AIE40054 . "prion protein, partial [Bubalus bubalis]" . . . . . 76.40 69 97.06 98.53 2.52e-40 . . . . 16706 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 146 MET . 16706 1 2 147 GLY . 16706 1 3 148 SER . 16706 1 4 149 SER . 16706 1 5 150 HIS . 16706 1 6 151 HIS . 16706 1 7 152 HIS . 16706 1 8 153 HIS . 16706 1 9 154 HIS . 16706 1 10 155 HIS . 16706 1 11 156 SER . 16706 1 12 157 SER . 16706 1 13 158 GLY . 16706 1 14 159 LEU . 16706 1 15 160 VAL . 16706 1 16 161 PRO . 16706 1 17 162 ARG . 16706 1 18 163 GLY . 16706 1 19 164 SER . 16706 1 20 165 HIS . 16706 1 21 166 MET . 16706 1 22 167 ARG . 16706 1 23 168 PRO . 16706 1 24 169 VAL . 16706 1 25 170 ASP . 16706 1 26 171 GLN . 16706 1 27 172 TYR . 16706 1 28 173 SER . 16706 1 29 174 ASN . 16706 1 30 175 GLN . 16706 1 31 176 ASN . 16706 1 32 177 ASN . 16706 1 33 178 PHE . 16706 1 34 179 VAL . 16706 1 35 180 HIS . 16706 1 36 181 ASP . 16706 1 37 182 CYS . 16706 1 38 183 VAL . 16706 1 39 184 ASN . 16706 1 40 185 ILE . 16706 1 41 186 THR . 16706 1 42 187 VAL . 16706 1 43 188 LYS . 16706 1 44 189 GLN . 16706 1 45 190 HIS . 16706 1 46 191 THR . 16706 1 47 192 VAL . 16706 1 48 193 THR . 16706 1 49 194 THR . 16706 1 50 195 THR . 16706 1 51 196 THR . 16706 1 52 197 LYS . 16706 1 53 198 GLY . 16706 1 54 199 GLU . 16706 1 55 200 ASN . 16706 1 56 201 PHE . 16706 1 57 202 THR . 16706 1 58 203 GLU . 16706 1 59 204 THR . 16706 1 60 205 ASP . 16706 1 61 206 ILE . 16706 1 62 207 LYS . 16706 1 63 208 ALA . 16706 1 64 209 MET . 16706 1 65 210 GLU . 16706 1 66 211 ARG . 16706 1 67 212 VAL . 16706 1 68 213 VAL . 16706 1 69 214 GLU . 16706 1 70 215 GLN . 16706 1 71 216 MET . 16706 1 72 217 CYS . 16706 1 73 218 ILE . 16706 1 74 219 THR . 16706 1 75 220 GLN . 16706 1 76 221 TYR . 16706 1 77 222 GLN . 16706 1 78 223 ARG . 16706 1 79 224 GLU . 16706 1 80 225 SER . 16706 1 81 226 GLN . 16706 1 82 227 ALA . 16706 1 83 228 TYR . 16706 1 84 229 TYR . 16706 1 85 230 GLN . 16706 1 86 231 ARG . 16706 1 87 232 GLY . 16706 1 88 233 ALA . 16706 1 89 234 SER . 16706 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 16706 1 . GLY 2 2 16706 1 . SER 3 3 16706 1 . SER 4 4 16706 1 . HIS 5 5 16706 1 . HIS 6 6 16706 1 . HIS 7 7 16706 1 . HIS 8 8 16706 1 . HIS 9 9 16706 1 . HIS 10 10 16706 1 . SER 11 11 16706 1 . SER 12 12 16706 1 . GLY 13 13 16706 1 . LEU 14 14 16706 1 . VAL 15 15 16706 1 . PRO 16 16 16706 1 . ARG 17 17 16706 1 . GLY 18 18 16706 1 . SER 19 19 16706 1 . HIS 20 20 16706 1 . MET 21 21 16706 1 . ARG 22 22 16706 1 . PRO 23 23 16706 1 . VAL 24 24 16706 1 . ASP 25 25 16706 1 . GLN 26 26 16706 1 . TYR 27 27 16706 1 . SER 28 28 16706 1 . ASN 29 29 16706 1 . GLN 30 30 16706 1 . ASN 31 31 16706 1 . ASN 32 32 16706 1 . PHE 33 33 16706 1 . VAL 34 34 16706 1 . HIS 35 35 16706 1 . ASP 36 36 16706 1 . CYS 37 37 16706 1 . VAL 38 38 16706 1 . ASN 39 39 16706 1 . ILE 40 40 16706 1 . THR 41 41 16706 1 . VAL 42 42 16706 1 . LYS 43 43 16706 1 . GLN 44 44 16706 1 . HIS 45 45 16706 1 . THR 46 46 16706 1 . VAL 47 47 16706 1 . THR 48 48 16706 1 . THR 49 49 16706 1 . THR 50 50 16706 1 . THR 51 51 16706 1 . LYS 52 52 16706 1 . GLY 53 53 16706 1 . GLU 54 54 16706 1 . ASN 55 55 16706 1 . PHE 56 56 16706 1 . THR 57 57 16706 1 . GLU 58 58 16706 1 . THR 59 59 16706 1 . ASP 60 60 16706 1 . ILE 61 61 16706 1 . LYS 62 62 16706 1 . ALA 63 63 16706 1 . MET 64 64 16706 1 . GLU 65 65 16706 1 . ARG 66 66 16706 1 . VAL 67 67 16706 1 . VAL 68 68 16706 1 . GLU 69 69 16706 1 . GLN 70 70 16706 1 . MET 71 71 16706 1 . CYS 72 72 16706 1 . ILE 73 73 16706 1 . THR 74 74 16706 1 . GLN 75 75 16706 1 . TYR 76 76 16706 1 . GLN 77 77 16706 1 . ARG 78 78 16706 1 . GLU 79 79 16706 1 . SER 80 80 16706 1 . GLN 81 81 16706 1 . ALA 82 82 16706 1 . TYR 83 83 16706 1 . TYR 84 84 16706 1 . GLN 85 85 16706 1 . ARG 86 86 16706 1 . GLY 87 87 16706 1 . ALA 88 88 16706 1 . SER 89 89 16706 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 16706 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $H2H3 . 9940 organism . 'Ovis aries' sheep . . Eukaryota Metazoa Ovis aries Suffolk 'ARQ variant' . . . . . . . . . . . . . . PRNP . . . . 16706 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 16706 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $H2H3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET-28a . . . . . . 16706 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16706 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 H2H3 '[U-100% 13C; U-100% 15N]' . . 1 $H2H3 . . 0.5 0.7 . mM . . . . 16706 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16706 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16706 1 4 'sodium citrate' 'natural abundance' . . . . . . 5 . . mM . . . . 16706 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 16706 _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' 0.006 0.001 M 16706 1 pH 3.5 0.15 pH 16706 1 pressure 1 1 atm 16706 1 temperature 298 . K 16706 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 16706 _Software.ID 1 _Software.Name ARIA _Software.Version v2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 16706 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16706 1 'geometry optimization' 16706 1 'structure solution' 16706 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 16706 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16706 _NMR_spectrometer.ID 2 _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 16706 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 16706 1 2 spectrometer_2 Varian INOVA . 600 . . . 16706 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 16706 _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 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16706 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16706 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16706 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16706 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16706 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16706 1 7 CBARO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16706 1 8 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16706 1 9 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16706 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 16706 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 0.0 na indirect 0.251449530 . . . . . . . . . 16706 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . . . . . 16706 1 N 15 water protons . . . . ppm 0.0 na indirect 0.101329118 . . . . . . . . . 16706 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 16706 _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 2 '3D HNCA' . . . 16706 1 3 '3D HN(CO)CA' . . . 16706 1 4 '3D 1H-15N NOESY' . . . 16706 1 6 '3D HCCH-TOCSY' . . . 16706 1 7 CBARO . . . 16706 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 22 22 ARG H H 1 8.409 0.000 . 1 . . . . 167 ARG HN . 16706 1 2 . 1 1 22 22 ARG HA H 1 4.495 0.000 . 1 . . . . 167 ARG HA . 16706 1 3 . 1 1 22 22 ARG HB2 H 1 1.772 0.001 . 2 . . . . 167 ARG HB2 . 16706 1 4 . 1 1 22 22 ARG HB3 H 1 1.853 0.000 . 2 . . . . 167 ARG HB3 . 16706 1 5 . 1 1 22 22 ARG HD2 H 1 3.129 0.001 . 2 . . . . 167 ARG HD2 . 16706 1 6 . 1 1 22 22 ARG HD3 H 1 3.185 0.000 . 2 . . . . 167 ARG HD3 . 16706 1 7 . 1 1 22 22 ARG HE H 1 7.097 0.000 . 1 . . . . 167 ARG HE . 16706 1 8 . 1 1 22 22 ARG HG2 H 1 1.644 0.002 . 2 . . . . 167 ARG HG2 . 16706 1 9 . 1 1 22 22 ARG HG3 H 1 1.776 0.000 . 2 . . . . 167 ARG HG3 . 16706 1 10 . 1 1 22 22 ARG CA C 13 54.620 0.000 . 1 . . . . 167 ARG CA . 16706 1 11 . 1 1 22 22 ARG CB C 13 30.901 0.000 . 1 . . . . 167 ARG CB . 16706 1 12 . 1 1 22 22 ARG CD C 13 43.206 0.000 . 1 . . . . 167 ARG CD . 16706 1 13 . 1 1 22 22 ARG CG C 13 27.619 0.000 . 1 . . . . 167 ARG CG . 16706 1 14 . 1 1 22 22 ARG N N 15 123.445 0.000 . 1 . . . . 167 ARG N . 16706 1 15 . 1 1 22 22 ARG NE N 15 108.959 0.000 . 1 . . . . 167 ARG NE . 16706 1 16 . 1 1 23 23 PRO HA H 1 4.490 0.008 . 1 . . . . 168 PRO HA . 16706 1 17 . 1 1 23 23 PRO HB2 H 1 2.353 0.000 . 2 . . . . 168 PRO HB2 . 16706 1 18 . 1 1 23 23 PRO HB3 H 1 1.953 0.007 . 2 . . . . 168 PRO HB3 . 16706 1 19 . 1 1 23 23 PRO HD2 H 1 3.530 0.003 . 2 . . . . 168 PRO HD2 . 16706 1 20 . 1 1 23 23 PRO HD3 H 1 3.817 0.004 . 2 . . . . 168 PRO HD3 . 16706 1 21 . 1 1 23 23 PRO HG2 H 1 2.028 0.001 . 2 . . . . 168 PRO HG2 . 16706 1 22 . 1 1 23 23 PRO HG3 H 1 1.692 0.002 . 2 . . . . 168 PRO HG3 . 16706 1 23 . 1 1 23 23 PRO CA C 13 63.440 0.000 . 1 . . . . 168 PRO CA . 16706 1 24 . 1 1 23 23 PRO CB C 13 32.268 0.000 . 1 . . . . 168 PRO CB . 16706 1 25 . 1 1 23 23 PRO CD C 13 50.589 0.000 . 1 . . . . 168 PRO CD . 16706 1 26 . 1 1 23 23 PRO CG C 13 27.346 0.000 . 1 . . . . 168 PRO CG . 16706 1 27 . 1 1 24 24 VAL H H 1 8.352 0.000 . 1 . . . . 169 VAL HN . 16706 1 28 . 1 1 24 24 VAL HA H 1 4.041 0.010 . 1 . . . . 169 VAL HA . 16706 1 29 . 1 1 24 24 VAL HB H 1 2.067 0.009 . 1 . . . . 169 VAL HB . 16706 1 30 . 1 1 24 24 VAL HG11 H 1 0.903 0.003 . 1 . . . . 169 VAL QG1 . 16706 1 31 . 1 1 24 24 VAL HG12 H 1 0.903 0.003 . 1 . . . . 169 VAL QG1 . 16706 1 32 . 1 1 24 24 VAL HG13 H 1 0.903 0.003 . 1 . . . . 169 VAL QG1 . 16706 1 33 . 1 1 24 24 VAL HG21 H 1 0.760 0.001 . 1 . . . . 169 VAL QG2 . 16706 1 34 . 1 1 24 24 VAL HG22 H 1 0.760 0.001 . 1 . . . . 169 VAL QG2 . 16706 1 35 . 1 1 24 24 VAL HG23 H 1 0.760 0.001 . 1 . . . . 169 VAL QG2 . 16706 1 36 . 1 1 24 24 VAL CA C 13 64.056 0.000 . 1 . . . . 169 VAL CA . 16706 1 37 . 1 1 24 24 VAL CB C 13 32.268 0.000 . 1 . . . . 169 VAL CB . 16706 1 38 . 1 1 24 24 VAL CG1 C 13 20.510 0.000 . 2 . . . . 169 VAL CG1 . 16706 1 39 . 1 1 24 24 VAL CG2 C 13 20.510 0.000 . 2 . . . . 169 VAL CG2 . 16706 1 40 . 1 1 24 24 VAL N N 15 119.589 0.000 . 1 . . . . 169 VAL N . 16706 1 41 . 1 1 25 25 ASP H H 1 8.288 0.000 . 1 . . . . 170 ASP HN . 16706 1 42 . 1 1 25 25 ASP HA H 1 4.527 0.000 . 1 . . . . 170 ASP HA . 16706 1 43 . 1 1 25 25 ASP HB2 H 1 2.488 0.015 . 2 . . . . 170 ASP HB2 . 16706 1 44 . 1 1 25 25 ASP HB3 H 1 2.706 0.015 . 2 . . . . 170 ASP HB3 . 16706 1 45 . 1 1 25 25 ASP CA C 13 54.213 0.000 . 1 . . . . 170 ASP CA . 16706 1 46 . 1 1 25 25 ASP CB C 13 39.924 0.000 . 1 . . . . 170 ASP CB . 16706 1 47 . 1 1 25 25 ASP N N 15 119.960 0.000 . 1 . . . . 170 ASP N . 16706 1 48 . 1 1 26 26 GLN H H 1 8.251 0.000 . 1 . . . . 171 GLN HN . 16706 1 49 . 1 1 26 26 GLN HA H 1 4.216 0.000 . 1 . . . . 171 GLN HA . 16706 1 50 . 1 1 26 26 GLN HB2 H 1 2.054 0.010 . 2 . . . . 171 GLN HB2 . 16706 1 51 . 1 1 26 26 GLN HB3 H 1 1.975 0.013 . 2 . . . . 171 GLN HB3 . 16706 1 52 . 1 1 26 26 GLN HE21 H 1 7.576 0.000 . 2 . . . . 171 GLN HE21 . 16706 1 53 . 1 1 26 26 GLN HE22 H 1 6.846 0.000 . 2 . . . . 171 GLN HE22 . 16706 1 54 . 1 1 26 26 GLN HG2 H 1 2.156 0.002 . 2 . . . . 171 GLN HG2 . 16706 1 55 . 1 1 26 26 GLN HG3 H 1 2.109 0.001 . 2 . . . . 171 GLN HG3 . 16706 1 56 . 1 1 26 26 GLN CA C 13 56.202 0.000 . 1 . . . . 171 GLN CA . 16706 1 57 . 1 1 26 26 GLN CB C 13 29.260 0.000 . 1 . . . . 171 GLN CB . 16706 1 58 . 1 1 26 26 GLN CG C 13 33.564 0.000 . 1 . . . . 171 GLN CG . 16706 1 59 . 1 1 26 26 GLN N N 15 119.100 0.000 . 1 . . . . 171 GLN N . 16706 1 60 . 1 1 26 26 GLN NE2 N 15 112.365 0.000 . 1 . . . . 171 GLN NE2 . 16706 1 61 . 1 1 27 27 TYR H H 1 8.011 0.000 . 1 . . . . 172 TYR HN . 16706 1 62 . 1 1 27 27 TYR HA H 1 4.695 0.000 . 1 . . . . 172 TYR HA . 16706 1 63 . 1 1 27 27 TYR HB2 H 1 3.073 0.020 . 2 . . . . 172 TYR HB2 . 16706 1 64 . 1 1 27 27 TYR HB3 H 1 2.904 0.014 . 2 . . . . 172 TYR HB3 . 16706 1 65 . 1 1 27 27 TYR HD1 H 1 7.866 0.000 . 3 . . . . 172 TYR QD . 16706 1 66 . 1 1 27 27 TYR HD2 H 1 7.866 0.000 . 3 . . . . 172 TYR QD . 16706 1 67 . 1 1 27 27 TYR HE1 H 1 7.110 0.000 . 3 . . . . 172 TYR QE . 16706 1 68 . 1 1 27 27 TYR HE2 H 1 7.110 0.000 . 3 . . . . 172 TYR QE . 16706 1 69 . 1 1 27 27 TYR CA C 13 58.095 0.000 . 1 . . . . 172 TYR CA . 16706 1 70 . 1 1 27 27 TYR CB C 13 39.651 0.000 . 1 . . . . 172 TYR CB . 16706 1 71 . 1 1 27 27 TYR CD2 C 13 134.621 0.000 . 3 . . . . 172 TYR CD2 . 16706 1 72 . 1 1 27 27 TYR CE2 C 13 119.297 0.000 . 3 . . . . 172 TYR CE2 . 16706 1 73 . 1 1 27 27 TYR N N 15 118.712 0.000 . 1 . . . . 172 TYR N . 16706 1 74 . 1 1 28 28 SER H H 1 8.728 0.000 . 1 . . . . 173 SER HN . 16706 1 75 . 1 1 28 28 SER HA H 1 4.263 0.001 . 1 . . . . 173 SER HA . 16706 1 76 . 1 1 28 28 SER HB2 H 1 3.844 0.002 . 2 . . . . 173 SER QB . 16706 1 77 . 1 1 28 28 SER HB3 H 1 3.844 0.002 . 2 . . . . 173 SER QB . 16706 1 78 . 1 1 28 28 SER CA C 13 59.773 0.000 . 1 . . . . 173 SER CA . 16706 1 79 . 1 1 28 28 SER CB C 13 64.498 0.000 . 1 . . . . 173 SER CB . 16706 1 80 . 1 1 28 28 SER N N 15 115.769 0.000 . 1 . . . . 173 SER N . 16706 1 81 . 1 1 29 29 ASN HA H 1 4.649 0.003 . 1 . . . . 174 ASN HA . 16706 1 82 . 1 1 29 29 ASN HB2 H 1 3.003 0.001 . 2 . . . . 174 ASN HB2 . 16706 1 83 . 1 1 29 29 ASN HB3 H 1 3.118 0.002 . 2 . . . . 174 ASN HB3 . 16706 1 84 . 1 1 29 29 ASN HD21 H 1 7.612 0.000 . 2 . . . . 174 ASN HD21 . 16706 1 85 . 1 1 29 29 ASN HD22 H 1 6.846 0.000 . 2 . . . . 174 ASN HD22 . 16706 1 86 . 1 1 29 29 ASN CA C 13 53.356 0.000 . 1 . . . . 174 ASN CA . 16706 1 87 . 1 1 29 29 ASN CB C 13 39.307 0.000 . 1 . . . . 174 ASN CB . 16706 1 88 . 1 1 29 29 ASN ND2 N 15 113.314 0.000 . 1 . . . . 174 ASN ND2 . 16706 1 89 . 1 1 30 30 GLN H H 1 8.580 0.000 . 1 . . . . 175 GLN HN . 16706 1 90 . 1 1 30 30 GLN HB2 H 1 1.738 0.000 . 2 . . . . 175 GLN HB2 . 16706 1 91 . 1 1 30 30 GLN HB3 H 1 1.849 0.000 . 2 . . . . 175 GLN HB3 . 16706 1 92 . 1 1 30 30 GLN HE21 H 1 7.508 0.000 . 2 . . . . 175 GLN HE21 . 16706 1 93 . 1 1 30 30 GLN HE22 H 1 6.869 0.000 . 2 . . . . 175 GLN HE22 . 16706 1 94 . 1 1 30 30 GLN HG2 H 1 3.081 0.000 . 2 . . . . 175 GLN HG2 . 16706 1 95 . 1 1 30 30 GLN HG3 H 1 2.936 0.000 . 2 . . . . 175 GLN HG3 . 16706 1 96 . 1 1 30 30 GLN CA C 13 58.696 0.000 . 1 . . . . 175 GLN CA . 16706 1 97 . 1 1 30 30 GLN N N 15 121.314 0.000 . 1 . . . . 175 GLN N . 16706 1 98 . 1 1 30 30 GLN NE2 N 15 112.254 0.000 . 1 . . . . 175 GLN NE2 . 16706 1 99 . 1 1 31 31 ASN H H 1 8.415 0.001 . 1 . . . . 176 ASN HN . 16706 1 100 . 1 1 31 31 ASN HA H 1 4.295 0.013 . 1 . . . . 176 ASN HA . 16706 1 101 . 1 1 31 31 ASN HB2 H 1 2.767 0.008 . 2 . . . . 176 ASN HB2 . 16706 1 102 . 1 1 31 31 ASN HB3 H 1 2.676 0.002 . 2 . . . . 176 ASN HB3 . 16706 1 103 . 1 1 31 31 ASN HD21 H 1 7.618 0.000 . 2 . . . . 176 ASN HD21 . 16706 1 104 . 1 1 31 31 ASN HD22 H 1 6.896 0.000 . 2 . . . . 176 ASN HD22 . 16706 1 105 . 1 1 31 31 ASN CA C 13 56.033 0.000 . 1 . . . . 176 ASN CA . 16706 1 106 . 1 1 31 31 ASN CB C 13 37.853 0.000 . 1 . . . . 176 ASN CB . 16706 1 107 . 1 1 31 31 ASN N N 15 117.504 0.000 . 1 . . . . 176 ASN N . 16706 1 108 . 1 1 31 31 ASN ND2 N 15 112.640 0.000 . 1 . . . . 176 ASN ND2 . 16706 1 109 . 1 1 32 32 ASN H H 1 8.477 0.000 . 1 . . . . 177 ASN HN . 16706 1 110 . 1 1 32 32 ASN HA H 1 4.551 0.000 . 1 . . . . 177 ASN HA . 16706 1 111 . 1 1 32 32 ASN HB2 H 1 3.044 0.015 . 2 . . . . 177 ASN HB2 . 16706 1 112 . 1 1 32 32 ASN HB3 H 1 2.869 0.012 . 2 . . . . 177 ASN HB3 . 16706 1 113 . 1 1 32 32 ASN HD21 H 1 7.646 0.000 . 2 . . . . 177 ASN HD21 . 16706 1 114 . 1 1 32 32 ASN HD22 H 1 7.099 0.000 . 2 . . . . 177 ASN HD22 . 16706 1 115 . 1 1 32 32 ASN CA C 13 55.763 0.000 . 1 . . . . 177 ASN CA . 16706 1 116 . 1 1 32 32 ASN CB C 13 38.284 0.000 . 1 . . . . 177 ASN CB . 16706 1 117 . 1 1 32 32 ASN N N 15 119.093 0.000 . 1 . . . . 177 ASN N . 16706 1 118 . 1 1 32 32 ASN ND2 N 15 112.077 0.000 . 1 . . . . 177 ASN ND2 . 16706 1 119 . 1 1 33 33 PHE H H 1 7.683 0.000 . 1 . . . . 178 PHE HN . 16706 1 120 . 1 1 33 33 PHE HA H 1 4.301 0.002 . 1 . . . . 178 PHE HA . 16706 1 121 . 1 1 33 33 PHE HB2 H 1 3.011 0.002 . 2 . . . . 178 PHE HB2 . 16706 1 122 . 1 1 33 33 PHE HB3 H 1 2.844 0.005 . 2 . . . . 178 PHE HB3 . 16706 1 123 . 1 1 33 33 PHE HD1 H 1 6.770 0.000 . 3 . . . . 178 PHE QD . 16706 1 124 . 1 1 33 33 PHE HD2 H 1 6.770 0.000 . 3 . . . . 178 PHE QD . 16706 1 125 . 1 1 33 33 PHE HE1 H 1 7.812 0.000 . 3 . . . . 178 PHE QE . 16706 1 126 . 1 1 33 33 PHE HE2 H 1 7.812 0.000 . 3 . . . . 178 PHE QE . 16706 1 127 . 1 1 33 33 PHE HZ H 1 7.111 0.000 . 1 . . . . 178 PHE HZ . 16706 1 128 . 1 1 33 33 PHE CA C 13 61.224 0.000 . 1 . . . . 178 PHE CA . 16706 1 129 . 1 1 33 33 PHE CB C 13 39.120 0.000 . 1 . . . . 178 PHE CB . 16706 1 130 . 1 1 33 33 PHE CD1 C 13 130.221 0.000 . 3 . . . . 178 PHE CD1 . 16706 1 131 . 1 1 33 33 PHE CD2 C 13 130.221 0.000 . 3 . . . . 178 PHE CD2 . 16706 1 132 . 1 1 33 33 PHE CE1 C 13 132.823 0.000 . 3 . . . . 178 PHE CE1 . 16706 1 133 . 1 1 33 33 PHE CE2 C 13 132.823 0.000 . 3 . . . . 178 PHE CE2 . 16706 1 134 . 1 1 33 33 PHE N N 15 120.618 0.000 . 1 . . . . 178 PHE N . 16706 1 135 . 1 1 34 34 VAL H H 1 8.961 0.000 . 1 . . . . 179 VAL HN . 16706 1 136 . 1 1 34 34 VAL HA H 1 3.827 0.000 . 1 . . . . 179 VAL HA . 16706 1 137 . 1 1 34 34 VAL HB H 1 2.260 0.005 . 1 . . . . 179 VAL HB . 16706 1 138 . 1 1 34 34 VAL HG11 H 1 1.087 0.002 . 1 . . . . 179 VAL QG1 . 16706 1 139 . 1 1 34 34 VAL HG12 H 1 1.087 0.002 . 1 . . . . 179 VAL QG1 . 16706 1 140 . 1 1 34 34 VAL HG13 H 1 1.087 0.002 . 1 . . . . 179 VAL QG1 . 16706 1 141 . 1 1 34 34 VAL HG21 H 1 0.986 0.002 . 1 . . . . 179 VAL QG2 . 16706 1 142 . 1 1 34 34 VAL HG22 H 1 0.986 0.002 . 1 . . . . 179 VAL QG2 . 16706 1 143 . 1 1 34 34 VAL HG23 H 1 0.986 0.002 . 1 . . . . 179 VAL QG2 . 16706 1 144 . 1 1 34 34 VAL CA C 13 67.460 0.000 . 1 . . . . 179 VAL CA . 16706 1 145 . 1 1 34 34 VAL CB C 13 31.994 0.000 . 1 . . . . 179 VAL CB . 16706 1 146 . 1 1 34 34 VAL CG1 C 13 22.150 0.000 . 2 . . . . 179 VAL CG1 . 16706 1 147 . 1 1 34 34 VAL CG2 C 13 21.056 0.000 . 2 . . . . 179 VAL CG2 . 16706 1 148 . 1 1 34 34 VAL N N 15 120.254 0.000 . 1 . . . . 179 VAL N . 16706 1 149 . 1 1 35 35 HIS H H 1 8.297 0.000 . 1 . . . . 180 HIS HN . 16706 1 150 . 1 1 35 35 HIS HA H 1 4.304 0.000 . 1 . . . . 180 HIS HA . 16706 1 151 . 1 1 35 35 HIS HB2 H 1 3.338 0.001 . 2 . . . . 180 HIS QB . 16706 1 152 . 1 1 35 35 HIS HB3 H 1 3.338 0.001 . 2 . . . . 180 HIS QB . 16706 1 153 . 1 1 35 35 HIS HD2 H 1 7.396 0.000 . 1 . . . . 180 HIS HD2 . 16706 1 154 . 1 1 35 35 HIS HE1 H 1 8.255 0.000 . 1 . . . . 180 HIS HE1 . 16706 1 155 . 1 1 35 35 HIS CA C 13 58.999 0.000 . 1 . . . . 180 HIS CA . 16706 1 156 . 1 1 35 35 HIS CB C 13 28.166 0.000 . 1 . . . . 180 HIS CB . 16706 1 157 . 1 1 35 35 HIS N N 15 117.384 0.000 . 1 . . . . 180 HIS N . 16706 1 158 . 1 1 36 36 ASP H H 1 7.648 0.000 . 1 . . . . 181 ASP HN . 16706 1 159 . 1 1 36 36 ASP HA H 1 4.453 0.000 . 1 . . . . 181 ASP HA . 16706 1 160 . 1 1 36 36 ASP HB2 H 1 2.676 0.008 . 2 . . . . 181 ASP QB . 16706 1 161 . 1 1 36 36 ASP HB3 H 1 2.676 0.008 . 2 . . . . 181 ASP QB . 16706 1 162 . 1 1 36 36 ASP CA C 13 56.909 0.000 . 1 . . . . 181 ASP CA . 16706 1 163 . 1 1 36 36 ASP CB C 13 40.198 0.000 . 1 . . . . 181 ASP CB . 16706 1 164 . 1 1 36 36 ASP N N 15 119.542 0.000 . 1 . . . . 181 ASP N . 16706 1 165 . 1 1 37 37 CYS H H 1 8.436 0.000 . 1 . . . . 182 CYS HN . 16706 1 166 . 1 1 37 37 CYS HA H 1 4.168 0.000 . 1 . . . . 182 CYS HA . 16706 1 167 . 1 1 37 37 CYS HB2 H 1 3.003 0.005 . 2 . . . . 182 CYS HB2 . 16706 1 168 . 1 1 37 37 CYS HB3 H 1 2.624 0.012 . 2 . . . . 182 CYS HB3 . 16706 1 169 . 1 1 37 37 CYS CA C 13 59.370 0.000 . 1 . . . . 182 CYS CA . 16706 1 170 . 1 1 37 37 CYS CB C 13 40.745 0.000 . 1 . . . . 182 CYS CB . 16706 1 171 . 1 1 37 37 CYS N N 15 120.446 0.000 . 1 . . . . 182 CYS N . 16706 1 172 . 1 1 38 38 VAL H H 1 9.103 0.000 . 1 . . . . 183 VAL HN . 16706 1 173 . 1 1 38 38 VAL HA H 1 3.594 0.000 . 1 . . . . 183 VAL HA . 16706 1 174 . 1 1 38 38 VAL HB H 1 2.147 0.002 . 1 . . . . 183 VAL HB . 16706 1 175 . 1 1 38 38 VAL HG11 H 1 1.034 0.004 . 1 . . . . 183 VAL QG1 . 16706 1 176 . 1 1 38 38 VAL HG12 H 1 1.034 0.004 . 1 . . . . 183 VAL QG1 . 16706 1 177 . 1 1 38 38 VAL HG13 H 1 1.034 0.004 . 1 . . . . 183 VAL QG1 . 16706 1 178 . 1 1 38 38 VAL HG21 H 1 1.045 0.000 . 1 . . . . 183 VAL QG2 . 16706 1 179 . 1 1 38 38 VAL HG22 H 1 1.045 0.000 . 1 . . . . 183 VAL QG2 . 16706 1 180 . 1 1 38 38 VAL HG23 H 1 1.045 0.000 . 1 . . . . 183 VAL QG2 . 16706 1 181 . 1 1 38 38 VAL CA C 13 65.977 0.000 . 1 . . . . 183 VAL CA . 16706 1 182 . 1 1 38 38 VAL CB C 13 31.721 0.000 . 1 . . . . 183 VAL CB . 16706 1 183 . 1 1 38 38 VAL CG1 C 13 21.877 0.000 . 2 . . . . 183 VAL CG1 . 16706 1 184 . 1 1 38 38 VAL CG2 C 13 24.611 0.000 . 2 . . . . 183 VAL CG2 . 16706 1 185 . 1 1 38 38 VAL N N 15 124.740 0.000 . 1 . . . . 183 VAL N . 16706 1 186 . 1 1 39 39 ASN H H 1 7.541 0.000 . 1 . . . . 184 ASN HN . 16706 1 187 . 1 1 39 39 ASN HA H 1 4.426 0.002 . 1 . . . . 184 ASN HA . 16706 1 188 . 1 1 39 39 ASN HB2 H 1 2.775 0.015 . 2 . . . . 184 ASN QB . 16706 1 189 . 1 1 39 39 ASN HB3 H 1 2.775 0.015 . 2 . . . . 184 ASN QB . 16706 1 190 . 1 1 39 39 ASN HD21 H 1 7.635 0.000 . 2 . . . . 184 ASN HD21 . 16706 1 191 . 1 1 39 39 ASN HD22 H 1 6.753 0.000 . 2 . . . . 184 ASN HD22 . 16706 1 192 . 1 1 39 39 ASN CA C 13 56.067 0.000 . 1 . . . . 184 ASN CA . 16706 1 193 . 1 1 39 39 ASN CB C 13 38.557 0.000 . 1 . . . . 184 ASN CB . 16706 1 194 . 1 1 39 39 ASN N N 15 117.362 0.000 . 1 . . . . 184 ASN N . 16706 1 195 . 1 1 39 39 ASN ND2 N 15 111.857 0.000 . 1 . . . . 184 ASN ND2 . 16706 1 196 . 1 1 40 40 ILE H H 1 8.237 0.000 . 1 . . . . 185 ILE HN . 16706 1 197 . 1 1 40 40 ILE HA H 1 3.870 0.012 . 1 . . . . 185 ILE HA . 16706 1 198 . 1 1 40 40 ILE HB H 1 1.842 0.008 . 1 . . . . 185 ILE HB . 16706 1 199 . 1 1 40 40 ILE HD11 H 1 0.855 0.002 . 1 . . . . 185 ILE QD1 . 16706 1 200 . 1 1 40 40 ILE HD12 H 1 0.855 0.002 . 1 . . . . 185 ILE QD1 . 16706 1 201 . 1 1 40 40 ILE HD13 H 1 0.855 0.002 . 1 . . . . 185 ILE QD1 . 16706 1 202 . 1 1 40 40 ILE HG12 H 1 1.156 0.012 . 2 . . . . 185 ILE HG12 . 16706 1 203 . 1 1 40 40 ILE HG13 H 1 1.451 0.000 . 2 . . . . 185 ILE HG13 . 16706 1 204 . 1 1 40 40 ILE HG21 H 1 0.848 0.010 . 1 . . . . 185 ILE QG2 . 16706 1 205 . 1 1 40 40 ILE HG22 H 1 0.848 0.010 . 1 . . . . 185 ILE QG2 . 16706 1 206 . 1 1 40 40 ILE HG23 H 1 0.848 0.010 . 1 . . . . 185 ILE QG2 . 16706 1 207 . 1 1 40 40 ILE CA C 13 63.752 0.000 . 1 . . . . 185 ILE CA . 16706 1 208 . 1 1 40 40 ILE CB C 13 38.830 0.000 . 1 . . . . 185 ILE CB . 16706 1 209 . 1 1 40 40 ILE CD1 C 13 13.631 0.000 . 1 . . . . 185 ILE CD1 . 16706 1 210 . 1 1 40 40 ILE CG1 C 13 27.346 0.000 . 1 . . . . 185 ILE CG1 . 16706 1 211 . 1 1 40 40 ILE CG2 C 13 17.502 0.000 . 1 . . . . 185 ILE CG2 . 16706 1 212 . 1 1 40 40 ILE N N 15 118.141 0.000 . 1 . . . . 185 ILE N . 16706 1 213 . 1 1 41 41 THR H H 1 8.015 0.000 . 1 . . . . 186 THR HN . 16706 1 214 . 1 1 41 41 THR HA H 1 3.990 0.001 . 1 . . . . 186 THR HA . 16706 1 215 . 1 1 41 41 THR HB H 1 4.210 0.008 . 1 . . . . 186 THR HB . 16706 1 216 . 1 1 41 41 THR HG21 H 1 1.290 0.009 . 1 . . . . 186 THR QG2 . 16706 1 217 . 1 1 41 41 THR HG22 H 1 1.290 0.009 . 1 . . . . 186 THR QG2 . 16706 1 218 . 1 1 41 41 THR HG23 H 1 1.290 0.009 . 1 . . . . 186 THR QG2 . 16706 1 219 . 1 1 41 41 THR CA C 13 66.381 0.000 . 1 . . . . 186 THR CA . 16706 1 220 . 1 1 41 41 THR CB C 13 70.003 0.000 . 1 . . . . 186 THR CB . 16706 1 221 . 1 1 41 41 THR CG2 C 13 21.603 0.000 . 1 . . . . 186 THR CG2 . 16706 1 222 . 1 1 41 41 THR N N 15 117.691 0.000 . 1 . . . . 186 THR N . 16706 1 223 . 1 1 42 42 VAL H H 1 8.531 0.000 . 1 . . . . 187 VAL HN . 16706 1 224 . 1 1 42 42 VAL HA H 1 3.841 0.001 . 1 . . . . 187 VAL HA . 16706 1 225 . 1 1 42 42 VAL HB H 1 2.248 0.010 . 1 . . . . 187 VAL HB . 16706 1 226 . 1 1 42 42 VAL HG11 H 1 1.069 0.001 . 1 . . . . 187 VAL QG1 . 16706 1 227 . 1 1 42 42 VAL HG12 H 1 1.069 0.001 . 1 . . . . 187 VAL QG1 . 16706 1 228 . 1 1 42 42 VAL HG13 H 1 1.069 0.001 . 1 . . . . 187 VAL QG1 . 16706 1 229 . 1 1 42 42 VAL HG21 H 1 0.967 0.013 . 1 . . . . 187 VAL QG2 . 16706 1 230 . 1 1 42 42 VAL HG22 H 1 0.967 0.013 . 1 . . . . 187 VAL QG2 . 16706 1 231 . 1 1 42 42 VAL HG23 H 1 0.967 0.013 . 1 . . . . 187 VAL QG2 . 16706 1 232 . 1 1 42 42 VAL CA C 13 65.741 0.000 . 1 . . . . 187 VAL CA . 16706 1 233 . 1 1 42 42 VAL CB C 13 31.994 0.000 . 1 . . . . 187 VAL CB . 16706 1 234 . 1 1 42 42 VAL CG1 C 13 22.424 0.000 . 2 . . . . 187 VAL CG1 . 16706 1 235 . 1 1 42 42 VAL CG2 C 13 21.056 0.000 . 2 . . . . 187 VAL CG2 . 16706 1 236 . 1 1 42 42 VAL N N 15 120.984 0.000 . 1 . . . . 187 VAL N . 16706 1 237 . 1 1 43 43 LYS H H 1 7.790 0.000 . 1 . . . . 188 LYS HN . 16706 1 238 . 1 1 43 43 LYS HA H 1 4.193 0.000 . 1 . . . . 188 LYS HA . 16706 1 239 . 1 1 43 43 LYS HB2 H 1 1.787 0.033 . 2 . . . . 188 LYS HB2 . 16706 1 240 . 1 1 43 43 LYS HB3 H 1 1.933 0.008 . 2 . . . . 188 LYS HB3 . 16706 1 241 . 1 1 43 43 LYS HD2 H 1 1.671 0.001 . 2 . . . . 188 LYS QD . 16706 1 242 . 1 1 43 43 LYS HD3 H 1 1.671 0.001 . 2 . . . . 188 LYS QD . 16706 1 243 . 1 1 43 43 LYS HE2 H 1 2.981 0.000 . 2 . . . . 188 LYS QE . 16706 1 244 . 1 1 43 43 LYS HE3 H 1 2.981 0.000 . 2 . . . . 188 LYS QE . 16706 1 245 . 1 1 43 43 LYS HG2 H 1 1.558 0.016 . 2 . . . . 188 LYS HG2 . 16706 1 246 . 1 1 43 43 LYS HG3 H 1 1.457 0.017 . 2 . . . . 188 LYS HG3 . 16706 1 247 . 1 1 43 43 LYS CA C 13 58.190 0.000 . 1 . . . . 188 LYS CA . 16706 1 248 . 1 1 43 43 LYS CB C 13 32.268 0.000 . 1 . . . . 188 LYS CB . 16706 1 249 . 1 1 43 43 LYS CD C 13 29.260 0.000 . 1 . . . . 188 LYS CD . 16706 1 250 . 1 1 43 43 LYS CE C 13 42.112 0.000 . 1 . . . . 188 LYS CE . 16706 1 251 . 1 1 43 43 LYS CG C 13 25.432 0.000 . 1 . . . . 188 LYS CG . 16706 1 252 . 1 1 43 43 LYS N N 15 120.862 0.000 . 1 . . . . 188 LYS N . 16706 1 253 . 1 1 44 44 GLN H H 1 7.945 0.000 . 1 . . . . 189 GLN HN . 16706 1 254 . 1 1 44 44 GLN HA H 1 4.208 0.000 . 1 . . . . 189 GLN HA . 16706 1 255 . 1 1 44 44 GLN HB2 H 1 2.096 0.018 . 2 . . . . 189 GLN QB . 16706 1 256 . 1 1 44 44 GLN HB3 H 1 2.096 0.018 . 2 . . . . 189 GLN QB . 16706 1 257 . 1 1 44 44 GLN HE21 H 1 7.430 0.000 . 2 . . . . 189 GLN HE21 . 16706 1 258 . 1 1 44 44 GLN HE22 H 1 6.859 0.000 . 2 . . . . 189 GLN HE22 . 16706 1 259 . 1 1 44 44 GLN HG2 H 1 2.499 0.004 . 2 . . . . 189 GLN HG2 . 16706 1 260 . 1 1 44 44 GLN HG3 H 1 2.385 0.012 . 2 . . . . 189 GLN HG3 . 16706 1 261 . 1 1 44 44 GLN CA C 13 56.842 0.000 . 1 . . . . 189 GLN CA . 16706 1 262 . 1 1 44 44 GLN CB C 13 28.439 0.000 . 1 . . . . 189 GLN CB . 16706 1 263 . 1 1 44 44 GLN CG C 13 34.182 0.000 . 1 . . . . 189 GLN CG . 16706 1 264 . 1 1 44 44 GLN N N 15 117.702 0.000 . 1 . . . . 189 GLN N . 16706 1 265 . 1 1 44 44 GLN NE2 N 15 111.579 0.000 . 1 . . . . 189 GLN NE2 . 16706 1 266 . 1 1 45 45 HIS H H 1 8.136 0.000 . 1 . . . . 190 HIS HN . 16706 1 267 . 1 1 45 45 HIS HA H 1 4.687 0.000 . 1 . . . . 190 HIS HA . 16706 1 268 . 1 1 45 45 HIS HB2 H 1 3.336 0.023 . 2 . . . . 190 HIS HB2 . 16706 1 269 . 1 1 45 45 HIS HB3 H 1 3.221 0.003 . 2 . . . . 190 HIS HB3 . 16706 1 270 . 1 1 45 45 HIS HD2 H 1 7.253 0.000 . 1 . . . . 190 HIS HD2 . 16706 1 271 . 1 1 45 45 HIS HE1 H 1 8.086 0.000 . 1 . . . . 190 HIS HE1 . 16706 1 272 . 1 1 45 45 HIS CA C 13 56.067 0.000 . 1 . . . . 190 HIS CA . 16706 1 273 . 1 1 45 45 HIS CB C 13 28.713 0.000 . 1 . . . . 190 HIS CB . 16706 1 274 . 1 1 45 45 HIS N N 15 117.198 0.000 . 1 . . . . 190 HIS N . 16706 1 275 . 1 1 46 46 THR H H 1 8.098 0.000 . 1 . . . . 191 THR HN . 16706 1 276 . 1 1 46 46 THR HA H 1 4.334 0.000 . 1 . . . . 191 THR HA . 16706 1 277 . 1 1 46 46 THR HB H 1 4.228 0.010 . 1 . . . . 191 THR HB . 16706 1 278 . 1 1 46 46 THR HG21 H 1 1.195 0.006 . 1 . . . . 191 THR QG2 . 16706 1 279 . 1 1 46 46 THR HG22 H 1 1.195 0.006 . 1 . . . . 191 THR QG2 . 16706 1 280 . 1 1 46 46 THR HG23 H 1 1.195 0.006 . 1 . . . . 191 THR QG2 . 16706 1 281 . 1 1 46 46 THR CA C 13 62.673 0.000 . 1 . . . . 191 THR CA . 16706 1 282 . 1 1 46 46 THR CB C 13 70.003 0.000 . 1 . . . . 191 THR CB . 16706 1 283 . 1 1 46 46 THR CG2 C 13 22.424 0.000 . 1 . . . . 191 THR CG2 . 16706 1 284 . 1 1 46 46 THR N N 15 114.868 0.000 . 1 . . . . 191 THR N . 16706 1 285 . 1 1 47 47 VAL H H 1 8.182 0.000 . 1 . . . . 192 VAL HN . 16706 1 286 . 1 1 47 47 VAL HA H 1 4.234 0.000 . 1 . . . . 192 VAL HA . 16706 1 287 . 1 1 47 47 VAL HB H 1 2.132 0.008 . 1 . . . . 192 VAL HB . 16706 1 288 . 1 1 47 47 VAL HG11 H 1 0.933 0.001 . 1 . . . . 192 VAL QG1 . 16706 1 289 . 1 1 47 47 VAL HG12 H 1 0.933 0.001 . 1 . . . . 192 VAL QG1 . 16706 1 290 . 1 1 47 47 VAL HG13 H 1 0.933 0.001 . 1 . . . . 192 VAL QG1 . 16706 1 291 . 1 1 47 47 VAL HG21 H 1 0.933 0.002 . 1 . . . . 192 VAL QG2 . 16706 1 292 . 1 1 47 47 VAL HG22 H 1 0.933 0.002 . 1 . . . . 192 VAL QG2 . 16706 1 293 . 1 1 47 47 VAL HG23 H 1 0.933 0.002 . 1 . . . . 192 VAL QG2 . 16706 1 294 . 1 1 47 47 VAL CA C 13 62.808 0.000 . 1 . . . . 192 VAL CA . 16706 1 295 . 1 1 47 47 VAL CB C 13 32.541 0.000 . 1 . . . . 192 VAL CB . 16706 1 296 . 1 1 47 47 VAL CG1 C 13 21.056 0.000 . 2 . . . . 192 VAL CG1 . 16706 1 297 . 1 1 47 47 VAL CG2 C 13 21.056 0.000 . 2 . . . . 192 VAL CG2 . 16706 1 298 . 1 1 47 47 VAL N N 15 122.304 0.000 . 1 . . . . 192 VAL N . 16706 1 299 . 1 1 48 48 THR H H 1 8.246 0.000 . 1 . . . . 193 THR HN . 16706 1 300 . 1 1 48 48 THR HA H 1 4.467 0.000 . 1 . . . . 193 THR HA . 16706 1 301 . 1 1 48 48 THR HB H 1 4.248 0.014 . 1 . . . . 193 THR HB . 16706 1 302 . 1 1 48 48 THR HG21 H 1 1.199 0.015 . 1 . . . . 193 THR QG2 . 16706 1 303 . 1 1 48 48 THR HG22 H 1 1.199 0.015 . 1 . . . . 193 THR QG2 . 16706 1 304 . 1 1 48 48 THR HG23 H 1 1.199 0.015 . 1 . . . . 193 THR QG2 . 16706 1 305 . 1 1 48 48 THR CA C 13 61.999 0.000 . 1 . . . . 193 THR CA . 16706 1 306 . 1 1 48 48 THR CB C 13 70.003 0.000 . 1 . . . . 193 THR CB . 16706 1 307 . 1 1 48 48 THR CG2 C 13 21.603 0.000 . 1 . . . . 193 THR CG2 . 16706 1 308 . 1 1 48 48 THR N N 15 117.170 0.000 . 1 . . . . 193 THR N . 16706 1 309 . 1 1 49 49 THR H H 1 8.242 0.000 . 1 . . . . 194 THR HN . 16706 1 310 . 1 1 49 49 THR HA H 1 4.473 0.000 . 1 . . . . 194 THR HA . 16706 1 311 . 1 1 49 49 THR HB H 1 4.333 0.002 . 1 . . . . 194 THR HB . 16706 1 312 . 1 1 49 49 THR HG21 H 1 1.231 0.001 . 1 . . . . 194 THR QG2 . 16706 1 313 . 1 1 49 49 THR HG22 H 1 1.231 0.001 . 1 . . . . 194 THR QG2 . 16706 1 314 . 1 1 49 49 THR HG23 H 1 1.231 0.001 . 1 . . . . 194 THR QG2 . 16706 1 315 . 1 1 49 49 THR CA C 13 61.965 0.014 . 1 . . . . 194 THR CA . 16706 1 316 . 1 1 49 49 THR CB C 13 70.003 0.000 . 1 . . . . 194 THR CB . 16706 1 317 . 1 1 49 49 THR CG2 C 13 21.877 0.000 . 1 . . . . 194 THR CG2 . 16706 1 318 . 1 1 49 49 THR N N 15 115.312 0.000 . 1 . . . . 194 THR N . 16706 1 319 . 1 1 50 50 THR H H 1 8.157 0.000 . 1 . . . . 195 THR HN . 16706 1 320 . 1 1 50 50 THR HA H 1 4.452 0.015 . 1 . . . . 195 THR HA . 16706 1 321 . 1 1 50 50 THR HB H 1 4.284 0.003 . 1 . . . . 195 THR HB . 16706 1 322 . 1 1 50 50 THR HG21 H 1 1.218 0.001 . 1 . . . . 195 THR QG2 . 16706 1 323 . 1 1 50 50 THR HG22 H 1 1.218 0.001 . 1 . . . . 195 THR QG2 . 16706 1 324 . 1 1 50 50 THR HG23 H 1 1.218 0.001 . 1 . . . . 195 THR QG2 . 16706 1 325 . 1 1 50 50 THR CA C 13 61.999 0.034 . 1 . . . . 195 THR CA . 16706 1 326 . 1 1 50 50 THR CB C 13 70.003 0.000 . 1 . . . . 195 THR CB . 16706 1 327 . 1 1 50 50 THR CG2 C 13 21.330 0.000 . 1 . . . . 195 THR CG2 . 16706 1 328 . 1 1 50 50 THR N N 15 115.723 0.000 . 1 . . . . 195 THR N . 16706 1 329 . 1 1 51 51 THR H H 1 8.182 0.000 . 1 . . . . 196 THR HN . 16706 1 330 . 1 1 51 51 THR HA H 1 4.484 0.000 . 1 . . . . 196 THR HA . 16706 1 331 . 1 1 51 51 THR HB H 1 4.350 0.000 . 1 . . . . 196 THR HB . 16706 1 332 . 1 1 51 51 THR HG21 H 1 1.228 0.001 . 1 . . . . 196 THR QG2 . 16706 1 333 . 1 1 51 51 THR HG22 H 1 1.228 0.001 . 1 . . . . 196 THR QG2 . 16706 1 334 . 1 1 51 51 THR HG23 H 1 1.228 0.001 . 1 . . . . 196 THR QG2 . 16706 1 335 . 1 1 51 51 THR CA C 13 62.269 0.000 . 1 . . . . 196 THR CA . 16706 1 336 . 1 1 51 51 THR CB C 13 70.003 0.000 . 1 . . . . 196 THR CB . 16706 1 337 . 1 1 51 51 THR CG2 C 13 21.330 0.000 . 1 . . . . 196 THR CG2 . 16706 1 338 . 1 1 51 51 THR N N 15 116.282 0.000 . 1 . . . . 196 THR N . 16706 1 339 . 1 1 52 52 LYS H H 1 8.302 0.000 . 1 . . . . 197 LYS HN . 16706 1 340 . 1 1 52 52 LYS HA H 1 4.346 0.000 . 1 . . . . 197 LYS HA . 16706 1 341 . 1 1 52 52 LYS HB2 H 1 1.805 0.013 . 2 . . . . 197 LYS HB2 . 16706 1 342 . 1 1 52 52 LYS HB3 H 1 1.863 0.001 . 2 . . . . 197 LYS HB3 . 16706 1 343 . 1 1 52 52 LYS HD2 H 1 1.693 0.028 . 2 . . . . 197 LYS QD . 16706 1 344 . 1 1 52 52 LYS HD3 H 1 1.693 0.028 . 2 . . . . 197 LYS QD . 16706 1 345 . 1 1 52 52 LYS HE2 H 1 2.955 0.001 . 2 . . . . 197 LYS HE2 . 16706 1 346 . 1 1 52 52 LYS HE3 H 1 3.008 0.001 . 2 . . . . 197 LYS HE3 . 16706 1 347 . 1 1 52 52 LYS HG2 H 1 1.482 0.018 . 2 . . . . 197 LYS HG2 . 16706 1 348 . 1 1 52 52 LYS HG3 H 1 1.402 0.003 . 2 . . . . 197 LYS HG3 . 16706 1 349 . 1 1 52 52 LYS CA C 13 56.673 0.000 . 1 . . . . 197 LYS CA . 16706 1 350 . 1 1 52 52 LYS CB C 13 33.362 0.000 . 1 . . . . 197 LYS CB . 16706 1 351 . 1 1 52 52 LYS CD C 13 28.713 0.000 . 1 . . . . 197 LYS CD . 16706 1 352 . 1 1 52 52 LYS CE C 13 42.659 0.000 . 1 . . . . 197 LYS CE . 16706 1 353 . 1 1 52 52 LYS CG C 13 25.158 0.000 . 1 . . . . 197 LYS CG . 16706 1 354 . 1 1 52 52 LYS N N 15 123.143 0.000 . 1 . . . . 197 LYS N . 16706 1 355 . 1 1 53 53 GLY H H 1 8.371 0.000 . 1 . . . . 198 GLY HN . 16706 1 356 . 1 1 53 53 GLY HA2 H 1 4.014 0.000 . 1 . . . . 198 GLY HA1 . 16706 1 357 . 1 1 53 53 GLY HA3 H 1 3.889 0.000 . 2 . . . . 198 GLY HA2 . 16706 1 358 . 1 1 53 53 GLY CA C 13 45.247 0.000 . 1 . . . . 198 GLY CA . 16706 1 359 . 1 1 53 53 GLY N N 15 110.112 0.000 . 1 . . . . 198 GLY N . 16706 1 360 . 1 1 54 54 GLU H H 1 8.120 0.000 . 1 . . . . 199 GLU HN . 16706 1 361 . 1 1 54 54 GLU HA H 1 4.312 0.000 . 1 . . . . 199 GLU HA . 16706 1 362 . 1 1 54 54 GLU HB2 H 1 1.842 0.004 . 2 . . . . 199 GLU HB2 . 16706 1 363 . 1 1 54 54 GLU HB3 H 1 1.961 0.004 . 2 . . . . 199 GLU HB3 . 16706 1 364 . 1 1 54 54 GLU HG2 H 1 2.250 0.007 . 2 . . . . 199 GLU QG . 16706 1 365 . 1 1 54 54 GLU HG3 H 1 2.250 0.007 . 2 . . . . 199 GLU QG . 16706 1 366 . 1 1 54 54 GLU CA C 13 55.999 0.000 . 1 . . . . 199 GLU CA . 16706 1 367 . 1 1 54 54 GLU CB C 13 29.807 0.000 . 1 . . . . 199 GLU CB . 16706 1 368 . 1 1 54 54 GLU CG C 13 34.729 0.000 . 1 . . . . 199 GLU CG . 16706 1 369 . 1 1 54 54 GLU N N 15 119.970 0.000 . 1 . . . . 199 GLU N . 16706 1 370 . 1 1 55 55 ASN H H 1 8.473 0.000 . 1 . . . . 200 ASN HN . 16706 1 371 . 1 1 55 55 ASN HA H 1 4.757 0.000 . 1 . . . . 200 ASN HA . 16706 1 372 . 1 1 55 55 ASN HB2 H 1 2.756 0.001 . 2 . . . . 200 ASN HB2 . 16706 1 373 . 1 1 55 55 ASN HB3 H 1 2.665 0.000 . 2 . . . . 200 ASN HB3 . 16706 1 374 . 1 1 55 55 ASN HD21 H 1 7.573 0.000 . 2 . . . . 200 ASN HD21 . 16706 1 375 . 1 1 55 55 ASN HD22 H 1 6.905 0.000 . 2 . . . . 200 ASN HD22 . 16706 1 376 . 1 1 55 55 ASN CA C 13 52.929 0.000 . 1 . . . . 200 ASN CA . 16706 1 377 . 1 1 55 55 ASN CB C 13 39.104 0.000 . 1 . . . . 200 ASN CB . 16706 1 378 . 1 1 55 55 ASN N N 15 119.660 0.000 . 1 . . . . 200 ASN N . 16706 1 379 . 1 1 55 55 ASN ND2 N 15 113.025 0.000 . 1 . . . . 200 ASN ND2 . 16706 1 380 . 1 1 56 56 PHE H H 1 8.258 0.000 . 1 . . . . 201 PHE HN . 16706 1 381 . 1 1 56 56 PHE HA H 1 4.849 0.000 . 1 . . . . 201 PHE HA . 16706 1 382 . 1 1 56 56 PHE HB2 H 1 3.192 0.007 . 2 . . . . 201 PHE HB2 . 16706 1 383 . 1 1 56 56 PHE HB3 H 1 2.998 0.010 . 2 . . . . 201 PHE HB3 . 16706 1 384 . 1 1 56 56 PHE HD1 H 1 7.263 0.000 . 3 . . . . 201 PHE QD . 16706 1 385 . 1 1 56 56 PHE HD2 H 1 7.263 0.000 . 3 . . . . 201 PHE QD . 16706 1 386 . 1 1 56 56 PHE HE1 H 1 7.223 0.000 . 3 . . . . 201 PHE QE . 16706 1 387 . 1 1 56 56 PHE HE2 H 1 7.223 0.000 . 3 . . . . 201 PHE QE . 16706 1 388 . 1 1 56 56 PHE HZ H 1 7.470 0.000 . 1 . . . . 201 PHE HZ . 16706 1 389 . 1 1 56 56 PHE CA C 13 57.516 0.000 . 1 . . . . 201 PHE CA . 16706 1 390 . 1 1 56 56 PHE CB C 13 40.198 0.000 . 1 . . . . 201 PHE CB . 16706 1 391 . 1 1 56 56 PHE CD1 C 13 132.623 0.000 . 3 . . . . 201 PHE CD1 . 16706 1 392 . 1 1 56 56 PHE CD2 C 13 132.623 0.000 . 3 . . . . 201 PHE CD2 . 16706 1 393 . 1 1 56 56 PHE CE1 C 13 130.839 0.000 . 3 . . . . 201 PHE CE1 . 16706 1 394 . 1 1 56 56 PHE CE2 C 13 130.839 0.000 . 3 . . . . 201 PHE CE2 . 16706 1 395 . 1 1 56 56 PHE N N 15 121.169 0.000 . 1 . . . . 201 PHE N . 16706 1 396 . 1 1 57 57 THR H H 1 8.664 0.000 . 1 . . . . 202 THR HN . 16706 1 397 . 1 1 57 57 THR HA H 1 4.497 0.000 . 1 . . . . 202 THR HA . 16706 1 398 . 1 1 57 57 THR HB H 1 4.524 0.001 . 1 . . . . 202 THR HB . 16706 1 399 . 1 1 57 57 THR HG21 H 1 1.247 0.009 . 1 . . . . 202 THR QG2 . 16706 1 400 . 1 1 57 57 THR HG22 H 1 1.247 0.009 . 1 . . . . 202 THR QG2 . 16706 1 401 . 1 1 57 57 THR HG23 H 1 1.247 0.009 . 1 . . . . 202 THR QG2 . 16706 1 402 . 1 1 57 57 THR CA C 13 61.291 0.000 . 1 . . . . 202 THR CA . 16706 1 403 . 1 1 57 57 THR CB C 13 70.311 0.000 . 1 . . . . 202 THR CB . 16706 1 404 . 1 1 57 57 THR CG2 C 13 22.424 0.000 . 1 . . . . 202 THR CG2 . 16706 1 405 . 1 1 57 57 THR N N 15 115.312 0.000 . 1 . . . . 202 THR N . 16706 1 406 . 1 1 58 58 GLU H H 1 8.756 0.000 . 1 . . . . 203 GLU HN . 16706 1 407 . 1 1 58 58 GLU HA H 1 4.229 0.000 . 1 . . . . 203 GLU HA . 16706 1 408 . 1 1 58 58 GLU HB2 H 1 2.090 0.001 . 2 . . . . 203 GLU HB2 . 16706 1 409 . 1 1 58 58 GLU HB3 H 1 1.982 0.000 . 2 . . . . 203 GLU HB3 . 16706 1 410 . 1 1 58 58 GLU HG2 H 1 2.243 0.006 . 2 . . . . 203 GLU HG2 . 16706 1 411 . 1 1 58 58 GLU HG3 H 1 2.334 0.005 . 2 . . . . 203 GLU HG3 . 16706 1 412 . 1 1 58 58 GLU CA C 13 58.291 0.000 . 1 . . . . 203 GLU CA . 16706 1 413 . 1 1 58 58 GLU CB C 13 29.133 0.000 . 1 . . . . 203 GLU CB . 16706 1 414 . 1 1 58 58 GLU CG C 13 34.455 0.000 . 1 . . . . 203 GLU CG . 16706 1 415 . 1 1 58 58 GLU N N 15 121.795 0.000 . 1 . . . . 203 GLU N . 16706 1 416 . 1 1 59 59 THR H H 1 8.075 0.000 . 1 . . . . 204 THR HN . 16706 1 417 . 1 1 59 59 THR HA H 1 4.072 0.015 . 1 . . . . 204 THR HA . 16706 1 418 . 1 1 59 59 THR HB H 1 4.130 0.011 . 1 . . . . 204 THR HB . 16706 1 419 . 1 1 59 59 THR HG21 H 1 1.205 0.003 . 1 . . . . 204 THR QG2 . 16706 1 420 . 1 1 59 59 THR HG22 H 1 1.205 0.003 . 1 . . . . 204 THR QG2 . 16706 1 421 . 1 1 59 59 THR HG23 H 1 1.205 0.003 . 1 . . . . 204 THR QG2 . 16706 1 422 . 1 1 59 59 THR CA C 13 64.527 0.000 . 1 . . . . 204 THR CA . 16706 1 423 . 1 1 59 59 THR CB C 13 68.909 0.000 . 1 . . . . 204 THR CB . 16706 1 424 . 1 1 59 59 THR CG2 C 13 21.867 0.000 . 1 . . . . 204 THR CG2 . 16706 1 425 . 1 1 59 59 THR N N 15 114.222 0.000 . 1 . . . . 204 THR N . 16706 1 426 . 1 1 60 60 ASP H H 1 7.973 0.000 . 1 . . . . 205 ASP HN . 16706 1 427 . 1 1 60 60 ASP HA H 1 4.560 0.000 . 1 . . . . 205 ASP HA . 16706 1 428 . 1 1 60 60 ASP HB2 H 1 2.839 0.008 . 2 . . . . 205 ASP HB2 . 16706 1 429 . 1 1 60 60 ASP HB3 H 1 2.709 0.007 . 2 . . . . 205 ASP HB3 . 16706 1 430 . 1 1 60 60 ASP CA C 13 55.763 0.000 . 1 . . . . 205 ASP CA . 16706 1 431 . 1 1 60 60 ASP CB C 13 40.471 0.000 . 1 . . . . 205 ASP CB . 16706 1 432 . 1 1 60 60 ASP N N 15 123.290 0.000 . 1 . . . . 205 ASP N . 16706 1 433 . 1 1 61 61 ILE H H 1 8.225 0.000 . 1 . . . . 206 ILE HN . 16706 1 434 . 1 1 61 61 ILE HA H 1 3.789 0.015 . 1 . . . . 206 ILE HA . 16706 1 435 . 1 1 61 61 ILE HB H 1 1.940 0.017 . 1 . . . . 206 ILE HB . 16706 1 436 . 1 1 61 61 ILE HD11 H 1 0.798 0.004 . 1 . . . . 206 ILE QD1 . 16706 1 437 . 1 1 61 61 ILE HD12 H 1 0.798 0.004 . 1 . . . . 206 ILE QD1 . 16706 1 438 . 1 1 61 61 ILE HD13 H 1 0.798 0.004 . 1 . . . . 206 ILE QD1 . 16706 1 439 . 1 1 61 61 ILE HG12 H 1 1.205 0.000 . 2 . . . . 206 ILE HG12 . 16706 1 440 . 1 1 61 61 ILE HG13 H 1 1.536 0.004 . 2 . . . . 206 ILE HG13 . 16706 1 441 . 1 1 61 61 ILE HG21 H 1 0.912 0.011 . 1 . . . . 206 ILE QG2 . 16706 1 442 . 1 1 61 61 ILE HG22 H 1 0.912 0.011 . 1 . . . . 206 ILE QG2 . 16706 1 443 . 1 1 61 61 ILE HG23 H 1 0.912 0.011 . 1 . . . . 206 ILE QG2 . 16706 1 444 . 1 1 61 61 ILE CA C 13 63.954 0.000 . 1 . . . . 206 ILE CA . 16706 1 445 . 1 1 61 61 ILE CB C 13 38.010 0.000 . 1 . . . . 206 ILE CB . 16706 1 446 . 1 1 61 61 ILE CD1 C 13 12.853 0.000 . 1 . . . . 206 ILE CD1 . 16706 1 447 . 1 1 61 61 ILE CG1 C 13 28.439 0.000 . 1 . . . . 206 ILE CG1 . 16706 1 448 . 1 1 61 61 ILE CG2 C 13 17.228 0.000 . 1 . . . . 206 ILE CG2 . 16706 1 449 . 1 1 61 61 ILE N N 15 122.848 0.000 . 1 . . . . 206 ILE N . 16706 1 450 . 1 1 62 62 LYS H H 1 8.186 0.000 . 1 . . . . 207 LYS HN . 16706 1 451 . 1 1 62 62 LYS HA H 1 4.111 0.000 . 1 . . . . 207 LYS HA . 16706 1 452 . 1 1 62 62 LYS HB2 H 1 1.657 0.001 . 2 . . . . 207 LYS HB2 . 16706 1 453 . 1 1 62 62 LYS HB3 H 1 1.853 0.001 . 2 . . . . 207 LYS HB3 . 16706 1 454 . 1 1 62 62 LYS HD2 H 1 1.674 0.006 . 2 . . . . 207 LYS HD2 . 16706 1 455 . 1 1 62 62 LYS HD3 H 1 1.693 0.001 . 2 . . . . 207 LYS HD3 . 16706 1 456 . 1 1 62 62 LYS HE2 H 1 2.978 0.000 . 2 . . . . 207 LYS QE . 16706 1 457 . 1 1 62 62 LYS HE3 H 1 2.978 0.000 . 2 . . . . 207 LYS QE . 16706 1 458 . 1 1 62 62 LYS HG2 H 1 1.610 0.004 . 2 . . . . 207 LYS HG2 . 16706 1 459 . 1 1 62 62 LYS HG3 H 1 1.525 0.001 . 2 . . . . 207 LYS HG3 . 16706 1 460 . 1 1 62 62 LYS CA C 13 59.019 0.000 . 1 . . . . 207 LYS CA . 16706 1 461 . 1 1 62 62 LYS CB C 13 32.815 0.000 . 1 . . . . 207 LYS CB . 16706 1 462 . 1 1 62 62 LYS CD C 13 29.533 0.000 . 1 . . . . 207 LYS CD . 16706 1 463 . 1 1 62 62 LYS CE C 13 41.838 0.000 . 1 . . . . 207 LYS CE . 16706 1 464 . 1 1 62 62 LYS CG C 13 25.158 0.000 . 1 . . . . 207 LYS CG . 16706 1 465 . 1 1 62 62 LYS N N 15 120.736 0.000 . 1 . . . . 207 LYS N . 16706 1 466 . 1 1 63 63 ALA H H 1 7.881 0.000 . 1 . . . . 208 ALA HN . 16706 1 467 . 1 1 63 63 ALA HA H 1 4.147 0.012 . 1 . . . . 208 ALA HA . 16706 1 468 . 1 1 63 63 ALA HB1 H 1 1.492 0.000 . 1 . . . . 208 ALA QB . 16706 1 469 . 1 1 63 63 ALA HB2 H 1 1.492 0.000 . 1 . . . . 208 ALA QB . 16706 1 470 . 1 1 63 63 ALA HB3 H 1 1.492 0.000 . 1 . . . . 208 ALA QB . 16706 1 471 . 1 1 63 63 ALA CA C 13 54.811 0.000 . 1 . . . . 208 ALA CA . 16706 1 472 . 1 1 63 63 ALA CB C 13 18.322 0.000 . 1 . . . . 208 ALA CB . 16706 1 473 . 1 1 63 63 ALA N N 15 121.944 0.000 . 1 . . . . 208 ALA N . 16706 1 474 . 1 1 64 64 MET H H 1 8.005 0.000 . 1 . . . . 209 MET HN . 16706 1 475 . 1 1 64 64 MET HA H 1 4.214 0.000 . 1 . . . . 209 MET HA . 16706 1 476 . 1 1 64 64 MET HB2 H 1 2.174 0.002 . 2 . . . . 209 MET QB . 16706 1 477 . 1 1 64 64 MET HB3 H 1 2.174 0.002 . 2 . . . . 209 MET QB . 16706 1 478 . 1 1 64 64 MET HE1 H 1 2.092 0.000 . 1 . . . . 209 MET QE . 16706 1 479 . 1 1 64 64 MET HE2 H 1 2.092 0.000 . 1 . . . . 209 MET QE . 16706 1 480 . 1 1 64 64 MET HE3 H 1 2.092 0.000 . 1 . . . . 209 MET QE . 16706 1 481 . 1 1 64 64 MET HG2 H 1 2.378 0.000 . 2 . . . . 209 MET HG2 . 16706 1 482 . 1 1 64 64 MET HG3 H 1 2.300 0.000 . 2 . . . . 209 MET HG3 . 16706 1 483 . 1 1 64 64 MET CA C 13 58.148 0.000 . 1 . . . . 209 MET CA . 16706 1 484 . 1 1 64 64 MET CB C 13 33.635 0.000 . 1 . . . . 209 MET CB . 16706 1 485 . 1 1 64 64 MET CE C 13 17.002 0.000 . 1 . . . . 209 MET CE . 16706 1 486 . 1 1 64 64 MET CG C 13 35.002 0.000 . 1 . . . . 209 MET CG . 16706 1 487 . 1 1 64 64 MET N N 15 118.638 0.000 . 1 . . . . 209 MET N . 16706 1 488 . 1 1 65 65 GLU H H 1 8.458 0.001 . 1 . . . . 210 GLU HN . 16706 1 489 . 1 1 65 65 GLU HA H 1 3.761 0.007 . 1 . . . . 210 GLU HA . 16706 1 490 . 1 1 65 65 GLU HB2 H 1 2.201 0.012 . 2 . . . . 210 GLU HB2 . 16706 1 491 . 1 1 65 65 GLU HB3 H 1 2.072 0.001 . 2 . . . . 210 GLU HB3 . 16706 1 492 . 1 1 65 65 GLU HG2 H 1 2.200 0.014 . 2 . . . . 210 GLU HG2 . 16706 1 493 . 1 1 65 65 GLU HG3 H 1 2.573 0.001 . 2 . . . . 210 GLU HG3 . 16706 1 494 . 1 1 65 65 GLU CA C 13 59.758 0.000 . 1 . . . . 210 GLU CA . 16706 1 495 . 1 1 65 65 GLU CB C 13 28.164 0.000 . 1 . . . . 210 GLU CB . 16706 1 496 . 1 1 65 65 GLU CG C 13 35.276 0.000 . 1 . . . . 210 GLU CG . 16706 1 497 . 1 1 65 65 GLU N N 15 119.483 0.000 . 1 . . . . 210 GLU N . 16706 1 498 . 1 1 66 66 ARG H H 1 7.809 0.000 . 1 . . . . 211 ARG HN . 16706 1 499 . 1 1 66 66 ARG HA H 1 4.171 0.000 . 1 . . . . 211 ARG HA . 16706 1 500 . 1 1 66 66 ARG HB2 H 1 1.945 0.009 . 2 . . . . 211 ARG HB2 . 16706 1 501 . 1 1 66 66 ARG HB3 H 1 1.866 0.004 . 2 . . . . 211 ARG HB3 . 16706 1 502 . 1 1 66 66 ARG HD2 H 1 3.172 0.000 . 2 . . . . 211 ARG QD . 16706 1 503 . 1 1 66 66 ARG HD3 H 1 3.172 0.000 . 2 . . . . 211 ARG QD . 16706 1 504 . 1 1 66 66 ARG HE H 1 7.303 0.000 . 1 . . . . 211 ARG HE . 16706 1 505 . 1 1 66 66 ARG HG2 H 1 1.841 0.003 . 2 . . . . 211 ARG QG . 16706 1 506 . 1 1 66 66 ARG HG3 H 1 1.841 0.003 . 2 . . . . 211 ARG QG . 16706 1 507 . 1 1 66 66 ARG CA C 13 59.221 0.000 . 1 . . . . 211 ARG CA . 16706 1 508 . 1 1 66 66 ARG CB C 13 30.080 0.000 . 1 . . . . 211 ARG CB . 16706 1 509 . 1 1 66 66 ARG CD C 13 43.479 0.000 . 1 . . . . 211 ARG CD . 16706 1 510 . 1 1 66 66 ARG CG C 13 27.346 0.000 . 1 . . . . 211 ARG CG . 16706 1 511 . 1 1 66 66 ARG N N 15 118.544 0.000 . 1 . . . . 211 ARG N . 16706 1 512 . 1 1 66 66 ARG NE N 15 109.296 0.000 . 1 . . . . 211 ARG NE . 16706 1 513 . 1 1 67 67 VAL H H 1 7.592 0.000 . 1 . . . . 212 VAL HN . 16706 1 514 . 1 1 67 67 VAL HA H 1 3.850 0.002 . 1 . . . . 212 VAL HA . 16706 1 515 . 1 1 67 67 VAL HB H 1 2.276 0.010 . 1 . . . . 212 VAL HB . 16706 1 516 . 1 1 67 67 VAL HG11 H 1 1.002 0.010 . 1 . . . . 212 VAL QG1 . 16706 1 517 . 1 1 67 67 VAL HG12 H 1 1.002 0.010 . 1 . . . . 212 VAL QG1 . 16706 1 518 . 1 1 67 67 VAL HG13 H 1 1.002 0.010 . 1 . . . . 212 VAL QG1 . 16706 1 519 . 1 1 67 67 VAL HG21 H 1 1.114 0.004 . 1 . . . . 212 VAL QG2 . 16706 1 520 . 1 1 67 67 VAL HG22 H 1 1.114 0.004 . 1 . . . . 212 VAL QG2 . 16706 1 521 . 1 1 67 67 VAL HG23 H 1 1.114 0.004 . 1 . . . . 212 VAL QG2 . 16706 1 522 . 1 1 67 67 VAL CA C 13 65.909 0.000 . 1 . . . . 212 VAL CA . 16706 1 523 . 1 1 67 67 VAL CB C 13 32.268 0.000 . 1 . . . . 212 VAL CB . 16706 1 524 . 1 1 67 67 VAL CG1 C 13 21.603 0.000 . 2 . . . . 212 VAL CG1 . 16706 1 525 . 1 1 67 67 VAL CG2 C 13 22.697 0.000 . 2 . . . . 212 VAL CG2 . 16706 1 526 . 1 1 67 67 VAL N N 15 119.972 0.000 . 1 . . . . 212 VAL N . 16706 1 527 . 1 1 68 68 VAL H H 1 8.234 0.000 . 1 . . . . 213 VAL HN . 16706 1 528 . 1 1 68 68 VAL HA H 1 3.805 0.000 . 1 . . . . 213 VAL HA . 16706 1 529 . 1 1 68 68 VAL HB H 1 2.161 0.010 . 1 . . . . 213 VAL HB . 16706 1 530 . 1 1 68 68 VAL HG11 H 1 1.089 0.000 . 1 . . . . 213 VAL QG1 . 16706 1 531 . 1 1 68 68 VAL HG12 H 1 1.089 0.000 . 1 . . . . 213 VAL QG1 . 16706 1 532 . 1 1 68 68 VAL HG13 H 1 1.089 0.000 . 1 . . . . 213 VAL QG1 . 16706 1 533 . 1 1 68 68 VAL HG21 H 1 0.932 0.008 . 1 . . . . 213 VAL QG2 . 16706 1 534 . 1 1 68 68 VAL HG22 H 1 0.932 0.008 . 1 . . . . 213 VAL QG2 . 16706 1 535 . 1 1 68 68 VAL HG23 H 1 0.932 0.008 . 1 . . . . 213 VAL QG2 . 16706 1 536 . 1 1 68 68 VAL CA C 13 65.933 0.000 . 1 . . . . 213 VAL CA . 16706 1 537 . 1 1 68 68 VAL CB C 13 31.994 0.000 . 1 . . . . 213 VAL CB . 16706 1 538 . 1 1 68 68 VAL CG1 C 13 23.517 0.000 . 2 . . . . 213 VAL CG1 . 16706 1 539 . 1 1 68 68 VAL CG2 C 13 21.603 0.000 . 2 . . . . 213 VAL CG2 . 16706 1 540 . 1 1 68 68 VAL N N 15 120.969 0.000 . 1 . . . . 213 VAL N . 16706 1 541 . 1 1 69 69 GLU H H 1 8.597 0.003 . 1 . . . . 214 GLU HN . 16706 1 542 . 1 1 69 69 GLU HA H 1 3.597 0.010 . 1 . . . . 214 GLU HA . 16706 1 543 . 1 1 69 69 GLU HB2 H 1 2.177 0.009 . 2 . . . . 214 GLU QB . 16706 1 544 . 1 1 69 69 GLU HB3 H 1 2.177 0.009 . 2 . . . . 214 GLU QB . 16706 1 545 . 1 1 69 69 GLU HG2 H 1 2.179 0.020 . 2 . . . . 214 GLU QG . 16706 1 546 . 1 1 69 69 GLU HG3 H 1 2.179 0.020 . 2 . . . . 214 GLU QG . 16706 1 547 . 1 1 69 69 GLU CA C 13 60.516 0.000 . 1 . . . . 214 GLU CA . 16706 1 548 . 1 1 69 69 GLU CB C 13 28.439 0.000 . 1 . . . . 214 GLU CB . 16706 1 549 . 1 1 69 69 GLU CG C 13 35.431 0.000 . 1 . . . . 214 GLU CG . 16706 1 550 . 1 1 69 69 GLU N N 15 121.218 0.000 . 1 . . . . 214 GLU N . 16706 1 551 . 1 1 70 70 GLN H H 1 7.814 0.000 . 1 . . . . 215 GLN HN . 16706 1 552 . 1 1 70 70 GLN HA H 1 4.068 0.000 . 1 . . . . 215 GLN HA . 16706 1 553 . 1 1 70 70 GLN HB2 H 1 2.094 0.001 . 2 . . . . 215 GLN HB2 . 16706 1 554 . 1 1 70 70 GLN HB3 H 1 2.225 0.001 . 2 . . . . 215 GLN HB3 . 16706 1 555 . 1 1 70 70 GLN HE21 H 1 7.527 0.000 . 2 . . . . 215 GLN HE21 . 16706 1 556 . 1 1 70 70 GLN HE22 H 1 6.917 0.000 . 2 . . . . 215 GLN HE22 . 16706 1 557 . 1 1 70 70 GLN HG2 H 1 2.470 0.008 . 2 . . . . 215 GLN QG . 16706 1 558 . 1 1 70 70 GLN HG3 H 1 2.470 0.008 . 2 . . . . 215 GLN QG . 16706 1 559 . 1 1 70 70 GLN CA C 13 58.797 0.000 . 1 . . . . 215 GLN CA . 16706 1 560 . 1 1 70 70 GLN CB C 13 28.439 0.000 . 1 . . . . 215 GLN CB . 16706 1 561 . 1 1 70 70 GLN CG C 13 33.635 0.000 . 1 . . . . 215 GLN CG . 16706 1 562 . 1 1 70 70 GLN N N 15 116.584 0.000 . 1 . . . . 215 GLN N . 16706 1 563 . 1 1 70 70 GLN NE2 N 15 112.693 0.000 . 1 . . . . 215 GLN NE2 . 16706 1 564 . 1 1 71 71 MET H H 1 8.179 0.000 . 1 . . . . 216 MET HN . 16706 1 565 . 1 1 71 71 MET HA H 1 4.210 0.001 . 1 . . . . 216 MET HA . 16706 1 566 . 1 1 71 71 MET HB2 H 1 2.395 0.002 . 2 . . . . 216 MET QB . 16706 1 567 . 1 1 71 71 MET HB3 H 1 2.395 0.002 . 2 . . . . 216 MET QB . 16706 1 568 . 1 1 71 71 MET HE1 H 1 1.908 0.003 . 1 . . . . 216 MET QE . 16706 1 569 . 1 1 71 71 MET HE2 H 1 1.908 0.003 . 1 . . . . 216 MET QE . 16706 1 570 . 1 1 71 71 MET HE3 H 1 1.908 0.003 . 1 . . . . 216 MET QE . 16706 1 571 . 1 1 71 71 MET HG2 H 1 2.457 0.004 . 2 . . . . 216 MET QG . 16706 1 572 . 1 1 71 71 MET HG3 H 1 2.457 0.004 . 2 . . . . 216 MET QG . 16706 1 573 . 1 1 71 71 MET CA C 13 58.819 0.000 . 1 . . . . 216 MET CA . 16706 1 574 . 1 1 71 71 MET CB C 13 34.729 0.000 . 1 . . . . 216 MET CB . 16706 1 575 . 1 1 71 71 MET CE C 13 16.681 0.000 . 1 . . . . 216 MET CE . 16706 1 576 . 1 1 71 71 MET CG C 13 31.994 0.000 . 1 . . . . 216 MET CG . 16706 1 577 . 1 1 71 71 MET N N 15 120.709 0.000 . 1 . . . . 216 MET N . 16706 1 578 . 1 1 72 72 CYS H H 1 8.735 0.001 . 1 . . . . 217 CYS HN . 16706 1 579 . 1 1 72 72 CYS HA H 1 4.607 0.000 . 1 . . . . 217 CYS HA . 16706 1 580 . 1 1 72 72 CYS HB2 H 1 3.455 0.003 . 2 . . . . 217 CYS HB2 . 16706 1 581 . 1 1 72 72 CYS HB3 H 1 2.903 0.002 . 2 . . . . 217 CYS HB3 . 16706 1 582 . 1 1 72 72 CYS CA C 13 59.134 0.000 . 1 . . . . 217 CYS CA . 16706 1 583 . 1 1 72 72 CYS CB C 13 41.838 0.000 . 1 . . . . 217 CYS CB . 16706 1 584 . 1 1 72 72 CYS N N 15 120.364 0.000 . 1 . . . . 217 CYS N . 16706 1 585 . 1 1 73 73 ILE H H 1 8.722 0.000 . 1 . . . . 218 ILE HN . 16706 1 586 . 1 1 73 73 ILE HA H 1 3.858 0.012 . 1 . . . . 218 ILE HA . 16706 1 587 . 1 1 73 73 ILE HB H 1 1.822 0.008 . 1 . . . . 218 ILE HB . 16706 1 588 . 1 1 73 73 ILE HD11 H 1 0.731 0.001 . 1 . . . . 218 ILE QD1 . 16706 1 589 . 1 1 73 73 ILE HD12 H 1 0.731 0.001 . 1 . . . . 218 ILE QD1 . 16706 1 590 . 1 1 73 73 ILE HD13 H 1 0.731 0.001 . 1 . . . . 218 ILE QD1 . 16706 1 591 . 1 1 73 73 ILE HG12 H 1 1.574 0.001 . 2 . . . . 218 ILE HG12 . 16706 1 592 . 1 1 73 73 ILE HG13 H 1 1.151 0.000 . 2 . . . . 218 ILE HG13 . 16706 1 593 . 1 1 73 73 ILE HG21 H 1 0.867 0.004 . 1 . . . . 218 ILE QG2 . 16706 1 594 . 1 1 73 73 ILE HG22 H 1 0.867 0.004 . 1 . . . . 218 ILE QG2 . 16706 1 595 . 1 1 73 73 ILE HG23 H 1 0.867 0.004 . 1 . . . . 218 ILE QG2 . 16706 1 596 . 1 1 73 73 ILE CA C 13 64.014 0.013 . 1 . . . . 218 ILE CA . 16706 1 597 . 1 1 73 73 ILE CB C 13 38.557 0.000 . 1 . . . . 218 ILE CB . 16706 1 598 . 1 1 73 73 ILE CD1 C 13 13.400 0.000 . 1 . . . . 218 ILE CD1 . 16706 1 599 . 1 1 73 73 ILE CG1 C 13 29.260 0.000 . 1 . . . . 218 ILE CG1 . 16706 1 600 . 1 1 73 73 ILE CG2 C 13 17.228 0.000 . 1 . . . . 218 ILE CG2 . 16706 1 601 . 1 1 73 73 ILE N N 15 123.515 0.000 . 1 . . . . 218 ILE N . 16706 1 602 . 1 1 74 74 THR H H 1 8.217 0.000 . 1 . . . . 219 THR HN . 16706 1 603 . 1 1 74 74 THR HA H 1 4.023 0.005 . 1 . . . . 219 THR HA . 16706 1 604 . 1 1 74 74 THR HB H 1 4.337 0.017 . 1 . . . . 219 THR HB . 16706 1 605 . 1 1 74 74 THR HG21 H 1 1.300 0.012 . 1 . . . . 219 THR QG2 . 16706 1 606 . 1 1 74 74 THR HG22 H 1 1.300 0.012 . 1 . . . . 219 THR QG2 . 16706 1 607 . 1 1 74 74 THR HG23 H 1 1.300 0.012 . 1 . . . . 219 THR QG2 . 16706 1 608 . 1 1 74 74 THR CA C 13 66.550 0.000 . 1 . . . . 219 THR CA . 16706 1 609 . 1 1 74 74 THR CB C 13 68.858 0.000 . 1 . . . . 219 THR CB . 16706 1 610 . 1 1 74 74 THR CG2 C 13 21.877 0.000 . 1 . . . . 219 THR CG2 . 16706 1 611 . 1 1 74 74 THR N N 15 116.819 0.000 . 1 . . . . 219 THR N . 16706 1 612 . 1 1 75 75 GLN H H 1 8.368 0.000 . 1 . . . . 220 GLN HN . 16706 1 613 . 1 1 75 75 GLN HA H 1 4.257 0.003 . 1 . . . . 220 GLN HA . 16706 1 614 . 1 1 75 75 GLN HB2 H 1 2.313 0.010 . 2 . . . . 220 GLN QB . 16706 1 615 . 1 1 75 75 GLN HB3 H 1 2.313 0.010 . 2 . . . . 220 GLN QB . 16706 1 616 . 1 1 75 75 GLN HE21 H 1 7.500 0.000 . 2 . . . . 220 GLN HE21 . 16706 1 617 . 1 1 75 75 GLN HE22 H 1 6.859 0.000 . 2 . . . . 220 GLN HE22 . 16706 1 618 . 1 1 75 75 GLN HG2 H 1 2.778 0.001 . 2 . . . . 220 GLN HG2 . 16706 1 619 . 1 1 75 75 GLN HG3 H 1 2.596 0.001 . 2 . . . . 220 GLN HG3 . 16706 1 620 . 1 1 75 75 GLN CA C 13 59.269 0.000 . 1 . . . . 220 GLN CA . 16706 1 621 . 1 1 75 75 GLN CB C 13 32.268 0.000 . 1 . . . . 220 GLN CB . 16706 1 622 . 1 1 75 75 GLN CG C 13 31.994 0.000 . 1 . . . . 220 GLN CG . 16706 1 623 . 1 1 75 75 GLN N N 15 121.828 0.000 . 1 . . . . 220 GLN N . 16706 1 624 . 1 1 75 75 GLN NE2 N 15 112.061 0.000 . 1 . . . . 220 GLN NE2 . 16706 1 625 . 1 1 76 76 TYR H H 1 8.354 0.000 . 1 . . . . 221 TYR HN . 16706 1 626 . 1 1 76 76 TYR HA H 1 3.296 0.000 . 1 . . . . 221 TYR HA . 16706 1 627 . 1 1 76 76 TYR HB2 H 1 2.878 0.009 . 2 . . . . 221 TYR HB2 . 16706 1 628 . 1 1 76 76 TYR HB3 H 1 3.076 0.003 . 2 . . . . 221 TYR HB3 . 16706 1 629 . 1 1 76 76 TYR HD1 H 1 7.620 0.000 . 3 . . . . 221 TYR QD . 16706 1 630 . 1 1 76 76 TYR HD2 H 1 7.620 0.000 . 3 . . . . 221 TYR QD . 16706 1 631 . 1 1 76 76 TYR HE1 H 1 6.501 0.000 . 3 . . . . 221 TYR QE . 16706 1 632 . 1 1 76 76 TYR HE2 H 1 6.501 0.000 . 3 . . . . 221 TYR QE . 16706 1 633 . 1 1 76 76 TYR CA C 13 61.662 0.000 . 1 . . . . 221 TYR CA . 16706 1 634 . 1 1 76 76 TYR CB C 13 37.737 0.000 . 1 . . . . 221 TYR CB . 16706 1 635 . 1 1 76 76 TYR CD1 C 13 133.634 0.000 . 3 . . . . 221 TYR CD1 . 16706 1 636 . 1 1 76 76 TYR CD2 C 13 133.634 0.000 . 3 . . . . 221 TYR CD2 . 16706 1 637 . 1 1 76 76 TYR CE1 C 13 118.768 0.000 . 3 . . . . 221 TYR CE1 . 16706 1 638 . 1 1 76 76 TYR CE2 C 13 118.768 0.000 . 3 . . . . 221 TYR CE2 . 16706 1 639 . 1 1 76 76 TYR N N 15 120.198 0.000 . 1 . . . . 221 TYR N . 16706 1 640 . 1 1 77 77 GLN H H 1 8.403 0.000 . 1 . . . . 222 GLN HN . 16706 1 641 . 1 1 77 77 GLN HA H 1 3.740 0.001 . 1 . . . . 222 GLN HA . 16706 1 642 . 1 1 77 77 GLN HB2 H 1 2.094 0.004 . 2 . . . . 222 GLN HB2 . 16706 1 643 . 1 1 77 77 GLN HB3 H 1 2.241 0.001 . 2 . . . . 222 GLN HB3 . 16706 1 644 . 1 1 77 77 GLN HE21 H 1 7.513 0.000 . 2 . . . . 222 GLN HE21 . 16706 1 645 . 1 1 77 77 GLN HE22 H 1 6.843 0.000 . 2 . . . . 222 GLN HE22 . 16706 1 646 . 1 1 77 77 GLN HG2 H 1 2.460 0.006 . 2 . . . . 222 GLN HG2 . 16706 1 647 . 1 1 77 77 GLN HG3 H 1 2.706 0.005 . 2 . . . . 222 GLN HG3 . 16706 1 648 . 1 1 77 77 GLN CA C 13 58.864 0.000 . 1 . . . . 222 GLN CA . 16706 1 649 . 1 1 77 77 GLN CB C 13 28.166 0.000 . 1 . . . . 222 GLN CB . 16706 1 650 . 1 1 77 77 GLN CG C 13 33.908 0.000 . 1 . . . . 222 GLN CG . 16706 1 651 . 1 1 77 77 GLN N N 15 119.294 0.000 . 1 . . . . 222 GLN N . 16706 1 652 . 1 1 77 77 GLN NE2 N 15 111.012 0.000 . 1 . . . . 222 GLN NE2 . 16706 1 653 . 1 1 78 78 ARG H H 1 8.190 0.000 . 1 . . . . 223 ARG HN . 16706 1 654 . 1 1 78 78 ARG HA H 1 4.093 0.003 . 1 . . . . 223 ARG HA . 16706 1 655 . 1 1 78 78 ARG HB2 H 1 1.964 0.000 . 2 . . . . 223 ARG QB . 16706 1 656 . 1 1 78 78 ARG HB3 H 1 1.964 0.000 . 2 . . . . 223 ARG QB . 16706 1 657 . 1 1 78 78 ARG HD2 H 1 3.250 0.000 . 2 . . . . 223 ARG QD . 16706 1 658 . 1 1 78 78 ARG HD3 H 1 3.250 0.000 . 2 . . . . 223 ARG QD . 16706 1 659 . 1 1 78 78 ARG HE H 1 7.250 0.000 . 1 . . . . 223 ARG HE . 16706 1 660 . 1 1 78 78 ARG HG2 H 1 1.684 0.001 . 2 . . . . 223 ARG HG2 . 16706 1 661 . 1 1 78 78 ARG HG3 H 1 1.824 0.000 . 2 . . . . 223 ARG HG3 . 16706 1 662 . 1 1 78 78 ARG CA C 13 58.831 0.000 . 1 . . . . 223 ARG CA . 16706 1 663 . 1 1 78 78 ARG CB C 13 30.354 0.000 . 1 . . . . 223 ARG CB . 16706 1 664 . 1 1 78 78 ARG CD C 13 43.206 0.000 . 1 . . . . 223 ARG CD . 16706 1 665 . 1 1 78 78 ARG CG C 13 27.619 0.000 . 1 . . . . 223 ARG CG . 16706 1 666 . 1 1 78 78 ARG N N 15 118.790 0.000 . 1 . . . . 223 ARG N . 16706 1 667 . 1 1 78 78 ARG NE N 15 109.652 0.000 . 1 . . . . 223 ARG NE . 16706 1 668 . 1 1 79 79 GLU H H 1 8.353 0.000 . 1 . . . . 224 GLU HN . 16706 1 669 . 1 1 79 79 GLU HA H 1 4.100 0.000 . 1 . . . . 224 GLU HA . 16706 1 670 . 1 1 79 79 GLU HB2 H 1 1.789 0.016 . 2 . . . . 224 GLU HB2 . 16706 1 671 . 1 1 79 79 GLU HB3 H 1 1.684 0.013 . 2 . . . . 224 GLU HB3 . 16706 1 672 . 1 1 79 79 GLU HG2 H 1 2.414 0.004 . 2 . . . . 224 GLU HG2 . 16706 1 673 . 1 1 79 79 GLU HG3 H 1 2.542 0.012 . 2 . . . . 224 GLU HG3 . 16706 1 674 . 1 1 79 79 GLU CA C 13 58.359 0.000 . 1 . . . . 224 GLU CA . 16706 1 675 . 1 1 79 79 GLU CB C 13 28.166 0.000 . 1 . . . . 224 GLU CB . 16706 1 676 . 1 1 79 79 GLU CG C 13 33.635 0.000 . 1 . . . . 224 GLU CG . 16706 1 677 . 1 1 79 79 GLU N N 15 118.277 0.000 . 1 . . . . 224 GLU N . 16706 1 678 . 1 1 80 80 SER H H 1 8.127 0.000 . 1 . . . . 225 SER HN . 16706 1 679 . 1 1 80 80 SER HA H 1 3.928 0.000 . 1 . . . . 225 SER HA . 16706 1 680 . 1 1 80 80 SER HB2 H 1 3.578 0.002 . 2 . . . . 225 SER HB2 . 16706 1 681 . 1 1 80 80 SER HB3 H 1 3.338 0.006 . 2 . . . . 225 SER HB3 . 16706 1 682 . 1 1 80 80 SER CA C 13 60.516 0.000 . 1 . . . . 225 SER CA . 16706 1 683 . 1 1 80 80 SER CB C 13 63.167 0.000 . 1 . . . . 225 SER CB . 16706 1 684 . 1 1 80 80 SER N N 15 115.093 0.000 . 1 . . . . 225 SER N . 16706 1 685 . 1 1 81 81 GLN N N 15 120.837 0.000 . 1 . . . . 226 GLN N . 16706 1 stop_ save_