data_17233 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17233 _Entry.Title ; Solution structure of the PlyG cell wall binding domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-10-01 _Entry.Accession_date 2010-10-01 _Entry.Last_release_date 2012-07-25 _Entry.Original_release_date 2012-07-25 _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 NMR' _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 B. Volkman B. F. . 17233 2 J. Dias J. S. . 17233 3 F. Peterson F. C. . 17233 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 1 'not applicable' 'not applicable' . 17233 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ACT-type domain' . 17233 'Bacillus anthracis' . 17233 'Bacillus phage Gamma' . 17233 'cell wall binding domain' . 17233 endolysin . 17233 homodimer . 17233 PlyG . 17233 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17233 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 376 17233 '15N chemical shifts' 96 17233 '1H chemical shifts' 634 17233 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 1 . . 2012-07-25 2010-10-01 original author . 17233 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17232 'PlyG (E.C.3.5.1.28)' 17233 PDB 2L48 'BMRB Entry Tracking System' 17233 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 17233 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title TBD _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 J. Dias J. S. . 17233 1 2 F. Peterson F. C. . 17233 1 3 B. Volkman B. F. . 17233 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17233 _Assembly.ID 1 _Assembly.Name PlyG _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 PlyG_1 1 $PlyG A . yes native no no . . . 17233 1 2 PlyG_2 1 $PlyG A . yes native no no . . . 17233 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PlyG _Entity.Sf_category entity _Entity.Sf_framecode PlyG _Entity.Entry_ID 17233 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PlyG _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 ; GSIQKVKNGNVATTSPTKQN IIQSGAFSPYETPDVMGALT SLKMTADFILQSDGLTYFIS KPTSDAQLKAMKEYLDRKGW WYEVK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'The numbering of chain B is staggered by 200.' _Entity.Polymer_author_seq_details 'The GS dipeptide, residues 149 and 150, are a cloning artifact.' _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 85 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'cell wall binding domain, residues 151-233' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9447.814 _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 2L48 . "Solution Structure Of The Plyg Cell Wall Binding Domain" . . . . . 100.00 85 100.00 100.00 2.49e-54 . . . . 17233 1 2 no GB AAM97149 . "N-acetylmuramoyl-L-alanine amidase [Bacillus phage Gamma]" . . . . . 97.65 233 100.00 100.00 2.33e-51 . . . . 17233 1 3 no GB ABA42708 . "N-acetylmuramoyl-L-alanine amidase [Bacillus phage Fah]" . . . . . 97.65 233 100.00 100.00 2.33e-51 . . . . 17233 1 4 no GB ABA46392 . "N-acetylmuramoyl-L-alanine amidase [Bacillus phage Cherry]" . . . . . 97.65 233 100.00 100.00 2.33e-51 . . . . 17233 1 5 no GB ABA46449 . "N-acetylmuramoyl-L-alanine amidase [Bacillus phage Gamma]" . . . . . 97.65 233 100.00 100.00 2.33e-51 . . . . 17233 1 6 no GB ABA46501 . "N-acetylmuramoyl-L-alanine amidase [Bacillus phage Gamma]" . . . . . 97.65 233 100.00 100.00 2.33e-51 . . . . 17233 1 7 no REF WP_001982889 . "MULTISPECIES: N-acetylmuramoyl-L-alanine amidase [Bacillus cereus group]" . . . . . 97.65 233 100.00 100.00 2.33e-51 . . . . 17233 1 8 no REF YP_338149 . "N-acetylmuramoyl-L-alanine amidase [Bacillus phage Cherry]" . . . . . 97.65 233 100.00 100.00 2.33e-51 . . . . 17233 1 9 no REF YP_338200 . "N-acetylmuramoyl-L-alanine amidase [Bacillus phage Gamma]" . . . . . 97.65 233 100.00 100.00 2.33e-51 . . . . 17233 1 10 no REF YP_459981 . "phage lysin N-acetylmuramoyl-L-alanine amidase [Bacillus phage WBeta]" . . . . . 97.65 233 100.00 100.00 2.33e-51 . . . . 17233 1 11 no REF YP_512326 . "N-acetylmuramoyl-L-alanine amidase [Bacillus phage Fah]" . . . . . 97.65 233 100.00 100.00 2.33e-51 . . . . 17233 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 1 149 GLY . 17233 1 2 150 SER . 17233 1 3 151 ILE . 17233 1 4 152 GLN . 17233 1 5 153 LYS . 17233 1 6 154 VAL . 17233 1 7 155 LYS . 17233 1 8 156 ASN . 17233 1 9 157 GLY . 17233 1 10 158 ASN . 17233 1 11 159 VAL . 17233 1 12 160 ALA . 17233 1 13 161 THR . 17233 1 14 162 THR . 17233 1 15 163 SER . 17233 1 16 164 PRO . 17233 1 17 165 THR . 17233 1 18 166 LYS . 17233 1 19 167 GLN . 17233 1 20 168 ASN . 17233 1 21 169 ILE . 17233 1 22 170 ILE . 17233 1 23 171 GLN . 17233 1 24 172 SER . 17233 1 25 173 GLY . 17233 1 26 174 ALA . 17233 1 27 175 PHE . 17233 1 28 176 SER . 17233 1 29 177 PRO . 17233 1 30 178 TYR . 17233 1 31 179 GLU . 17233 1 32 180 THR . 17233 1 33 181 PRO . 17233 1 34 182 ASP . 17233 1 35 183 VAL . 17233 1 36 184 MET . 17233 1 37 185 GLY . 17233 1 38 186 ALA . 17233 1 39 187 LEU . 17233 1 40 188 THR . 17233 1 41 189 SER . 17233 1 42 190 LEU . 17233 1 43 191 LYS . 17233 1 44 192 MET . 17233 1 45 193 THR . 17233 1 46 194 ALA . 17233 1 47 195 ASP . 17233 1 48 196 PHE . 17233 1 49 197 ILE . 17233 1 50 198 LEU . 17233 1 51 199 GLN . 17233 1 52 200 SER . 17233 1 53 201 ASP . 17233 1 54 202 GLY . 17233 1 55 203 LEU . 17233 1 56 204 THR . 17233 1 57 205 TYR . 17233 1 58 206 PHE . 17233 1 59 207 ILE . 17233 1 60 208 SER . 17233 1 61 209 LYS . 17233 1 62 210 PRO . 17233 1 63 211 THR . 17233 1 64 212 SER . 17233 1 65 213 ASP . 17233 1 66 214 ALA . 17233 1 67 215 GLN . 17233 1 68 216 LEU . 17233 1 69 217 LYS . 17233 1 70 218 ALA . 17233 1 71 219 MET . 17233 1 72 220 LYS . 17233 1 73 221 GLU . 17233 1 74 222 TYR . 17233 1 75 223 LEU . 17233 1 76 224 ASP . 17233 1 77 225 ARG . 17233 1 78 226 LYS . 17233 1 79 227 GLY . 17233 1 80 228 TRP . 17233 1 81 229 TRP . 17233 1 82 230 TYR . 17233 1 83 231 GLU . 17233 1 84 232 VAL . 17233 1 85 233 LYS . 17233 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 . GLY 1 1 17233 1 . SER 2 2 17233 1 . ILE 3 3 17233 1 . GLN 4 4 17233 1 . LYS 5 5 17233 1 . VAL 6 6 17233 1 . LYS 7 7 17233 1 . ASN 8 8 17233 1 . GLY 9 9 17233 1 . ASN 10 10 17233 1 . VAL 11 11 17233 1 . ALA 12 12 17233 1 . THR 13 13 17233 1 . THR 14 14 17233 1 . SER 15 15 17233 1 . PRO 16 16 17233 1 . THR 17 17 17233 1 . LYS 18 18 17233 1 . GLN 19 19 17233 1 . ASN 20 20 17233 1 . ILE 21 21 17233 1 . ILE 22 22 17233 1 . GLN 23 23 17233 1 . SER 24 24 17233 1 . GLY 25 25 17233 1 . ALA 26 26 17233 1 . PHE 27 27 17233 1 . SER 28 28 17233 1 . PRO 29 29 17233 1 . TYR 30 30 17233 1 . GLU 31 31 17233 1 . THR 32 32 17233 1 . PRO 33 33 17233 1 . ASP 34 34 17233 1 . VAL 35 35 17233 1 . MET 36 36 17233 1 . GLY 37 37 17233 1 . ALA 38 38 17233 1 . LEU 39 39 17233 1 . THR 40 40 17233 1 . SER 41 41 17233 1 . LEU 42 42 17233 1 . LYS 43 43 17233 1 . MET 44 44 17233 1 . THR 45 45 17233 1 . ALA 46 46 17233 1 . ASP 47 47 17233 1 . PHE 48 48 17233 1 . ILE 49 49 17233 1 . LEU 50 50 17233 1 . GLN 51 51 17233 1 . SER 52 52 17233 1 . ASP 53 53 17233 1 . GLY 54 54 17233 1 . LEU 55 55 17233 1 . THR 56 56 17233 1 . TYR 57 57 17233 1 . PHE 58 58 17233 1 . ILE 59 59 17233 1 . SER 60 60 17233 1 . LYS 61 61 17233 1 . PRO 62 62 17233 1 . THR 63 63 17233 1 . SER 64 64 17233 1 . ASP 65 65 17233 1 . ALA 66 66 17233 1 . GLN 67 67 17233 1 . LEU 68 68 17233 1 . LYS 69 69 17233 1 . ALA 70 70 17233 1 . MET 71 71 17233 1 . LYS 72 72 17233 1 . GLU 73 73 17233 1 . TYR 74 74 17233 1 . LEU 75 75 17233 1 . ASP 76 76 17233 1 . ARG 77 77 17233 1 . LYS 78 78 17233 1 . GLY 79 79 17233 1 . TRP 80 80 17233 1 . TRP 81 81 17233 1 . TYR 82 82 17233 1 . GLU 83 83 17233 1 . VAL 84 84 17233 1 . LYS 85 85 17233 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 17233 _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 $PlyG . 347962 organism . 'Bacillus phage Gamma' 'Bacillus phage Gamma' . . viruses . . 'Bacillus phage Gamma' . . . . . . . . . . . . . . . . PlyG . . . . 17233 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 17233 _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 $PlyG . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21[pREP4] . . . . . . . . . . . . . . . pQE30 . . . . . . 17233 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17233 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.25 mM PlyG(151-233) U-15N/13C, 20 mM BisTris' _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 PlyG '[U-100% 13C; U-100% 15N]' . . 1 $PlyG . . 1.25 . . mM . . . . 17233 1 2 Bis-Tris '[U-99% 2H]' . . . . . . 20 . . mM . . . . 17233 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17233 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17233 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 17233 _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' 13 . mM 17233 1 pH 6.0 . pH 17233 1 pressure 1 . atm 17233 1 temperature 298 . K 17233 1 stop_ save_ ############################ # Computer software used # ############################ save_Xplor-NIH _Software.Sf_category software _Software.Sf_framecode Xplor-NIH _Software.Entry_ID 17233 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.9.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. . . 17233 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17233 1 stop_ save_ save_TopSpin _Software.Sf_category software _Software.Sf_framecode TopSpin _Software.Entry_ID 17233 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 17233 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17233 2 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 17233 _Software.ID 3 _Software.Name NMRPipe _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delagio,F. et al.' . . 17233 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17233 3 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 17233 _Software.ID 4 _Software.Name XEASY _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Eccles, C., Guntert, P., Billeter, M., Wuthrich, K.' . . 17233 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17233 4 stop_ save_ save_GARANT _Software.Sf_category software _Software.Sf_framecode GARANT _Software.Entry_ID 17233 _Software.ID 5 _Software.Name GARANT _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'C. Bartels' . . 17233 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17233 5 stop_ save_ save_Cyana _Software.Sf_category software _Software.Sf_framecode Cyana _Software.Entry_ID 17233 _Software.ID 6 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 17233 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structural calculation' 17233 6 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 17233 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 17233 _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 DRX . 600 . . . 17233 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 17233 _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 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17233 1 2 3D_13C-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17233 1 3 '3D_13C-separated_NOESY (AROMATIC)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17233 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 17233 _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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17233 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17233 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17233 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 17233 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 3D_15N-separated_NOESY . . . 17233 1 2 3D_13C-separated_NOESY . . . 17233 1 3 '3D_13C-separated_NOESY (AROMATIC)' . . . 17233 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 2 2 SER HA H 1 4.544 0.02 . 1 . . . . 149 SER HA . 17233 1 2 . 1 1 2 2 SER HB2 H 1 3.860 0.02 . 2 . . . . 149 SER HB2 . 17233 1 3 . 1 1 2 2 SER HB3 H 1 3.860 0.02 . 2 . . . . 149 SER HB3 . 17233 1 4 . 1 1 2 2 SER C C 13 174.552 0.1 . 1 . . . . 149 SER C . 17233 1 5 . 1 1 2 2 SER CA C 13 58.436 0.1 . 1 . . . . 149 SER CA . 17233 1 6 . 1 1 2 2 SER CB C 13 64.751 0.1 . 1 . . . . 149 SER CB . 17233 1 7 . 1 1 3 3 ILE H H 1 8.332 0.02 . 1 . . . . 150 ILE H . 17233 1 8 . 1 1 3 3 ILE HA H 1 4.202 0.02 . 1 . . . . 150 ILE HA . 17233 1 9 . 1 1 3 3 ILE HB H 1 1.842 0.02 . 1 . . . . 150 ILE HB . 17233 1 10 . 1 1 3 3 ILE HD11 H 1 0.872 0.02 . 1 . . . . 150 ILE HD11 . 17233 1 11 . 1 1 3 3 ILE HD12 H 1 0.872 0.02 . 1 . . . . 150 ILE HD12 . 17233 1 12 . 1 1 3 3 ILE HD13 H 1 0.872 0.02 . 1 . . . . 150 ILE HD13 . 17233 1 13 . 1 1 3 3 ILE HG12 H 1 1.458 0.014 . 2 . . . . 150 ILE HG12 . 17233 1 14 . 1 1 3 3 ILE HG13 H 1 1.199 0.02 . 2 . . . . 150 ILE HG13 . 17233 1 15 . 1 1 3 3 ILE HG21 H 1 0.901 0.014 . 1 . . . . 150 ILE HG21 . 17233 1 16 . 1 1 3 3 ILE HG22 H 1 0.901 0.014 . 1 . . . . 150 ILE HG22 . 17233 1 17 . 1 1 3 3 ILE HG23 H 1 0.901 0.014 . 1 . . . . 150 ILE HG23 . 17233 1 18 . 1 1 3 3 ILE C C 13 176.297 0.1 . 1 . . . . 150 ILE C . 17233 1 19 . 1 1 3 3 ILE CA C 13 61.438 0.1 . 1 . . . . 150 ILE CA . 17233 1 20 . 1 1 3 3 ILE CB C 13 39.028 0.1 . 1 . . . . 150 ILE CB . 17233 1 21 . 1 1 3 3 ILE CD1 C 13 13.067 0.1 . 1 . . . . 150 ILE CD1 . 17233 1 22 . 1 1 3 3 ILE CG1 C 13 27.559 0.064 . 1 . . . . 150 ILE CG1 . 17233 1 23 . 1 1 3 3 ILE CG2 C 13 17.791 0.1 . 1 . . . . 150 ILE CG2 . 17233 1 24 . 1 1 3 3 ILE N N 15 122.891 0.1 . 1 . . . . 150 ILE N . 17233 1 25 . 1 1 4 4 GLN H H 1 8.440 0.02 . 1 . . . . 151 GLN H . 17233 1 26 . 1 1 4 4 GLN HA H 1 4.342 0.02 . 1 . . . . 151 GLN HA . 17233 1 27 . 1 1 4 4 GLN HB2 H 1 2.051 0.02 . 2 . . . . 151 GLN HB2 . 17233 1 28 . 1 1 4 4 GLN HB3 H 1 1.965 0.02 . 2 . . . . 151 GLN HB3 . 17233 1 29 . 1 1 4 4 GLN HE21 H 1 7.008 0.002 . 2 . . . . 151 GLN HE21 . 17233 1 30 . 1 1 4 4 GLN HE22 H 1 7.684 0.02 . 2 . . . . 151 GLN HE22 . 17233 1 31 . 1 1 4 4 GLN HG2 H 1 2.350 0.02 . 2 . . . . 151 GLN HG2 . 17233 1 32 . 1 1 4 4 GLN HG3 H 1 2.350 0.02 . 2 . . . . 151 GLN HG3 . 17233 1 33 . 1 1 4 4 GLN C C 13 175.756 0.1 . 1 . . . . 151 GLN C . 17233 1 34 . 1 1 4 4 GLN CA C 13 55.898 0.1 . 1 . . . . 151 GLN CA . 17233 1 35 . 1 1 4 4 GLN CB C 13 29.811 0.008 . 1 . . . . 151 GLN CB . 17233 1 36 . 1 1 4 4 GLN CG C 13 33.879 0.1 . 1 . . . . 151 GLN CG . 17233 1 37 . 1 1 4 4 GLN N N 15 125.208 0.1 . 1 . . . . 151 GLN N . 17233 1 38 . 1 1 4 4 GLN NE2 N 15 112.453 0.1 . 1 . . . . 151 GLN NE2 . 17233 1 39 . 1 1 5 5 LYS H H 1 8.418 0.02 . 1 . . . . 152 LYS H . 17233 1 40 . 1 1 5 5 LYS HA H 1 4.321 0.02 . 1 . . . . 152 LYS HA . 17233 1 41 . 1 1 5 5 LYS HB2 H 1 1.797 0.02 . 2 . . . . 152 LYS HB2 . 17233 1 42 . 1 1 5 5 LYS HB3 H 1 1.797 0.02 . 2 . . . . 152 LYS HB3 . 17233 1 43 . 1 1 5 5 LYS HD2 H 1 1.678 0.007 . 2 . . . . 152 LYS HD2 . 17233 1 44 . 1 1 5 5 LYS HD3 H 1 1.678 0.007 . 2 . . . . 152 LYS HD3 . 17233 1 45 . 1 1 5 5 LYS HE2 H 1 3.001 0.004 . 2 . . . . 152 LYS HE2 . 17233 1 46 . 1 1 5 5 LYS HE3 H 1 3.001 0.004 . 2 . . . . 152 LYS HE3 . 17233 1 47 . 1 1 5 5 LYS HG2 H 1 1.415 0.02 . 2 . . . . 152 LYS HG2 . 17233 1 48 . 1 1 5 5 LYS HG3 H 1 1.415 0.02 . 2 . . . . 152 LYS HG3 . 17233 1 49 . 1 1 5 5 LYS C C 13 176.529 0.1 . 1 . . . . 152 LYS C . 17233 1 50 . 1 1 5 5 LYS CA C 13 56.594 0.043 . 1 . . . . 152 LYS CA . 17233 1 51 . 1 1 5 5 LYS CB C 13 33.481 0.141 . 1 . . . . 152 LYS CB . 17233 1 52 . 1 1 5 5 LYS CD C 13 29.566 0.1 . 1 . . . . 152 LYS CD . 17233 1 53 . 1 1 5 5 LYS CE C 13 42.247 0.099 . 1 . . . . 152 LYS CE . 17233 1 54 . 1 1 5 5 LYS CG C 13 25.111 0.142 . 1 . . . . 152 LYS CG . 17233 1 55 . 1 1 5 5 LYS N N 15 123.924 0.1 . 1 . . . . 152 LYS N . 17233 1 56 . 1 1 6 6 VAL H H 1 8.150 0.02 . 1 . . . . 153 VAL H . 17233 1 57 . 1 1 6 6 VAL HA H 1 4.145 0.013 . 1 . . . . 153 VAL HA . 17233 1 58 . 1 1 6 6 VAL HB H 1 2.036 0.02 . 1 . . . . 153 VAL HB . 17233 1 59 . 1 1 6 6 VAL HG11 H 1 1.100 0.02 . 2 . . . . 153 VAL HG11 . 17233 1 60 . 1 1 6 6 VAL HG12 H 1 1.100 0.02 . 2 . . . . 153 VAL HG12 . 17233 1 61 . 1 1 6 6 VAL HG13 H 1 1.100 0.02 . 2 . . . . 153 VAL HG13 . 17233 1 62 . 1 1 6 6 VAL HG21 H 1 0.955 0.02 . 2 . . . . 153 VAL HG21 . 17233 1 63 . 1 1 6 6 VAL HG22 H 1 0.955 0.02 . 2 . . . . 153 VAL HG22 . 17233 1 64 . 1 1 6 6 VAL HG23 H 1 0.955 0.02 . 2 . . . . 153 VAL HG23 . 17233 1 65 . 1 1 6 6 VAL C C 13 175.891 0.1 . 1 . . . . 153 VAL C . 17233 1 66 . 1 1 6 6 VAL CA C 13 62.482 0.025 . 1 . . . . 153 VAL CA . 17233 1 67 . 1 1 6 6 VAL CB C 13 33.405 0.1 . 1 . . . . 153 VAL CB . 17233 1 68 . 1 1 6 6 VAL CG2 C 13 20.983 0.1 . 1 . . . . 153 VAL CG2 . 17233 1 69 . 1 1 6 6 VAL N N 15 121.653 0.1 . 1 . . . . 153 VAL N . 17233 1 70 . 1 1 7 7 LYS H H 1 8.531 0.02 . 1 . . . . 154 LYS H . 17233 1 71 . 1 1 7 7 LYS HA H 1 4.302 0.02 . 1 . . . . 154 LYS HA . 17233 1 72 . 1 1 7 7 LYS HB2 H 1 1.781 0.02 . 2 . . . . 154 LYS HB2 . 17233 1 73 . 1 1 7 7 LYS HB3 H 1 1.781 0.02 . 2 . . . . 154 LYS HB3 . 17233 1 74 . 1 1 7 7 LYS HD2 H 1 1.686 0.02 . 2 . . . . 154 LYS HD2 . 17233 1 75 . 1 1 7 7 LYS HD3 H 1 1.686 0.02 . 2 . . . . 154 LYS HD3 . 17233 1 76 . 1 1 7 7 LYS HE2 H 1 3.003 0.02 . 2 . . . . 154 LYS HE2 . 17233 1 77 . 1 1 7 7 LYS HE3 H 1 3.003 0.02 . 2 . . . . 154 LYS HE3 . 17233 1 78 . 1 1 7 7 LYS HG2 H 1 1.419 0.02 . 2 . . . . 154 LYS HG2 . 17233 1 79 . 1 1 7 7 LYS HG3 H 1 1.419 0.02 . 2 . . . . 154 LYS HG3 . 17233 1 80 . 1 1 7 7 LYS C C 13 176.162 0.1 . 1 . . . . 154 LYS C . 17233 1 81 . 1 1 7 7 LYS CA C 13 56.882 0.1 . 1 . . . . 154 LYS CA . 17233 1 82 . 1 1 7 7 LYS CB C 13 33.324 0.1 . 1 . . . . 154 LYS CB . 17233 1 83 . 1 1 7 7 LYS CD C 13 29.566 0.1 . 1 . . . . 154 LYS CD . 17233 1 84 . 1 1 7 7 LYS CE C 13 42.179 0.1 . 1 . . . . 154 LYS CE . 17233 1 85 . 1 1 7 7 LYS CG C 13 24.942 0.1 . 1 . . . . 154 LYS CG . 17233 1 86 . 1 1 7 7 LYS N N 15 125.927 0.1 . 1 . . . . 154 LYS N . 17233 1 87 . 1 1 8 8 ASN H H 1 8.500 0.02 . 1 . . . . 155 ASN H . 17233 1 88 . 1 1 8 8 ASN HA H 1 4.672 0.02 . 1 . . . . 155 ASN HA . 17233 1 89 . 1 1 8 8 ASN HB2 H 1 2.797 0.02 . 2 . . . . 155 ASN HB2 . 17233 1 90 . 1 1 8 8 ASN HB3 H 1 2.797 0.02 . 2 . . . . 155 ASN HB3 . 17233 1 91 . 1 1 8 8 ASN HD21 H 1 6.856 0.009 . 2 . . . . 155 ASN HD21 . 17233 1 92 . 1 1 8 8 ASN HD22 H 1 7.489 0.010 . 2 . . . . 155 ASN HD22 . 17233 1 93 . 1 1 8 8 ASN C C 13 175.640 0.1 . 1 . . . . 155 ASN C . 17233 1 94 . 1 1 8 8 ASN CA C 13 53.479 0.1 . 1 . . . . 155 ASN CA . 17233 1 95 . 1 1 8 8 ASN CB C 13 39.294 0.012 . 1 . . . . 155 ASN CB . 17233 1 96 . 1 1 8 8 ASN N N 15 120.925 0.1 . 1 . . . . 155 ASN N . 17233 1 97 . 1 1 8 8 ASN ND2 N 15 112.543 0.095 . 1 . . . . 155 ASN ND2 . 17233 1 98 . 1 1 9 9 GLY H H 1 8.410 0.02 . 1 . . . . 156 GLY H . 17233 1 99 . 1 1 9 9 GLY HA2 H 1 3.944 0.02 . 2 . . . . 156 GLY HA2 . 17233 1 100 . 1 1 9 9 GLY HA3 H 1 3.944 0.02 . 2 . . . . 156 GLY HA3 . 17233 1 101 . 1 1 9 9 GLY C C 13 173.901 0.1 . 1 . . . . 156 GLY C . 17233 1 102 . 1 1 9 9 GLY CA C 13 45.667 0.1 . 1 . . . . 156 GLY CA . 17233 1 103 . 1 1 9 9 GLY N N 15 109.415 0.1 . 1 . . . . 156 GLY N . 17233 1 104 . 1 1 10 10 ASN H H 1 8.349 0.02 . 1 . . . . 157 ASN H . 17233 1 105 . 1 1 10 10 ASN HA H 1 4.751 0.02 . 1 . . . . 157 ASN HA . 17233 1 106 . 1 1 10 10 ASN HB2 H 1 2.839 0.02 . 2 . . . . 157 ASN HB2 . 17233 1 107 . 1 1 10 10 ASN HB3 H 1 2.782 0.02 . 2 . . . . 157 ASN HB3 . 17233 1 108 . 1 1 10 10 ASN HD21 H 1 7.586 0.003 . 2 . . . . 157 ASN HD21 . 17233 1 109 . 1 1 10 10 ASN HD22 H 1 6.922 0.001 . 2 . . . . 157 ASN HD22 . 17233 1 110 . 1 1 10 10 ASN C C 13 175.273 0.1 . 1 . . . . 157 ASN C . 17233 1 111 . 1 1 10 10 ASN CA C 13 53.485 0.1 . 1 . . . . 157 ASN CA . 17233 1 112 . 1 1 10 10 ASN CB C 13 39.277 0.1 . 1 . . . . 157 ASN CB . 17233 1 113 . 1 1 10 10 ASN N N 15 118.958 0.1 . 1 . . . . 157 ASN N . 17233 1 114 . 1 1 10 10 ASN ND2 N 15 112.865 0.001 . 1 . . . . 157 ASN ND2 . 17233 1 115 . 1 1 11 11 VAL H H 1 8.092 0.02 . 1 . . . . 158 VAL H . 17233 1 116 . 1 1 11 11 VAL HA H 1 4.135 0.007 . 1 . . . . 158 VAL HA . 17233 1 117 . 1 1 11 11 VAL HB H 1 2.091 0.005 . 1 . . . . 158 VAL HB . 17233 1 118 . 1 1 11 11 VAL HG11 H 1 0.933 0.008 . 2 . . . . 158 VAL HG11 . 17233 1 119 . 1 1 11 11 VAL HG12 H 1 0.933 0.008 . 2 . . . . 158 VAL HG12 . 17233 1 120 . 1 1 11 11 VAL HG13 H 1 0.933 0.008 . 2 . . . . 158 VAL HG13 . 17233 1 121 . 1 1 11 11 VAL HG21 H 1 0.933 0.008 . 2 . . . . 158 VAL HG21 . 17233 1 122 . 1 1 11 11 VAL HG22 H 1 0.933 0.008 . 2 . . . . 158 VAL HG22 . 17233 1 123 . 1 1 11 11 VAL HG23 H 1 0.933 0.008 . 2 . . . . 158 VAL HG23 . 17233 1 124 . 1 1 11 11 VAL C C 13 175.891 0.1 . 1 . . . . 158 VAL C . 17233 1 125 . 1 1 11 11 VAL CA C 13 62.432 0.1 . 1 . . . . 158 VAL CA . 17233 1 126 . 1 1 11 11 VAL CB C 13 33.215 0.1 . 1 . . . . 158 VAL CB . 17233 1 127 . 1 1 11 11 VAL CG1 C 13 20.856 0.1 . 1 . . . . 158 VAL CG1 . 17233 1 128 . 1 1 11 11 VAL N N 15 120.429 0.1 . 1 . . . . 158 VAL N . 17233 1 129 . 1 1 12 12 ALA H H 1 8.431 0.02 . 1 . . . . 159 ALA H . 17233 1 130 . 1 1 12 12 ALA HA H 1 4.434 0.02 . 1 . . . . 159 ALA HA . 17233 1 131 . 1 1 12 12 ALA HB1 H 1 1.408 0.02 . 1 . . . . 159 ALA HB1 . 17233 1 132 . 1 1 12 12 ALA HB2 H 1 1.408 0.02 . 1 . . . . 159 ALA HB2 . 17233 1 133 . 1 1 12 12 ALA HB3 H 1 1.408 0.02 . 1 . . . . 159 ALA HB3 . 17233 1 134 . 1 1 12 12 ALA C C 13 177.959 0.1 . 1 . . . . 159 ALA C . 17233 1 135 . 1 1 12 12 ALA CA C 13 52.671 0.1 . 1 . . . . 159 ALA CA . 17233 1 136 . 1 1 12 12 ALA CB C 13 19.612 0.1 . 1 . . . . 159 ALA CB . 17233 1 137 . 1 1 12 12 ALA N N 15 127.986 0.1 . 1 . . . . 159 ALA N . 17233 1 138 . 1 1 13 13 THR H H 1 8.188 0.005 . 1 . . . . 160 THR H . 17233 1 139 . 1 1 13 13 THR HA H 1 4.373 0.02 . 1 . . . . 160 THR HA . 17233 1 140 . 1 1 13 13 THR HB H 1 4.251 0.02 . 1 . . . . 160 THR HB . 17233 1 141 . 1 1 13 13 THR HG21 H 1 1.203 0.004 . 1 . . . . 160 THR HG21 . 17233 1 142 . 1 1 13 13 THR HG22 H 1 1.203 0.004 . 1 . . . . 160 THR HG22 . 17233 1 143 . 1 1 13 13 THR HG23 H 1 1.203 0.004 . 1 . . . . 160 THR HG23 . 17233 1 144 . 1 1 13 13 THR C C 13 174.789 0.1 . 1 . . . . 160 THR C . 17233 1 145 . 1 1 13 13 THR CA C 13 61.938 0.1 . 1 . . . . 160 THR CA . 17233 1 146 . 1 1 13 13 THR CB C 13 70.393 0.1 . 1 . . . . 160 THR CB . 17233 1 147 . 1 1 13 13 THR CG2 C 13 21.430 0.111 . 1 . . . . 160 THR CG2 . 17233 1 148 . 1 1 13 13 THR N N 15 113.905 0.1 . 1 . . . . 160 THR N . 17233 1 149 . 1 1 14 14 THR H H 1 8.154 0.009 . 1 . . . . 161 THR H . 17233 1 150 . 1 1 14 14 THR HA H 1 4.418 0.008 . 1 . . . . 161 THR HA . 17233 1 151 . 1 1 14 14 THR HB H 1 4.943 0.02 . 1 . . . . 161 THR HB . 17233 1 152 . 1 1 14 14 THR HG21 H 1 1.206 0.011 . 1 . . . . 161 THR HG21 . 17233 1 153 . 1 1 14 14 THR HG22 H 1 1.206 0.011 . 1 . . . . 161 THR HG22 . 17233 1 154 . 1 1 14 14 THR HG23 H 1 1.206 0.011 . 1 . . . . 161 THR HG23 . 17233 1 155 . 1 1 14 14 THR C C 13 174.364 0.1 . 1 . . . . 161 THR C . 17233 1 156 . 1 1 14 14 THR CA C 13 61.868 0.1 . 1 . . . . 161 THR CA . 17233 1 157 . 1 1 14 14 THR CB C 13 70.677 0.1 . 1 . . . . 161 THR CB . 17233 1 158 . 1 1 14 14 THR CG2 C 13 21.750 0.127 . 1 . . . . 161 THR CG2 . 17233 1 159 . 1 1 14 14 THR N N 15 116.167 0.1 . 1 . . . . 161 THR N . 17233 1 160 . 1 1 15 15 SER H H 1 8.374 0.013 . 1 . . . . 162 SER H . 17233 1 161 . 1 1 15 15 SER C C 13 172.825 0.1 . 1 . . . . 162 SER C . 17233 1 162 . 1 1 15 15 SER N N 15 119.726 0.057 . 1 . . . . 162 SER N . 17233 1 163 . 1 1 16 16 PRO HA H 1 4.546 0.02 . 1 . . . . 163 PRO HA . 17233 1 164 . 1 1 16 16 PRO HB2 H 1 2.350 0.02 . 2 . . . . 163 PRO HB2 . 17233 1 165 . 1 1 16 16 PRO HB3 H 1 1.966 0.02 . 2 . . . . 163 PRO HB3 . 17233 1 166 . 1 1 16 16 PRO HD2 H 1 3.858 0.02 . 2 . . . . 163 PRO HD2 . 17233 1 167 . 1 1 16 16 PRO HD3 H 1 3.766 0.02 . 2 . . . . 163 PRO HD3 . 17233 1 168 . 1 1 16 16 PRO HG2 H 1 2.047 0.02 . 2 . . . . 163 PRO HG2 . 17233 1 169 . 1 1 16 16 PRO HG3 H 1 2.047 0.02 . 2 . . . . 163 PRO HG3 . 17233 1 170 . 1 1 16 16 PRO C C 13 177.074 0.1 . 1 . . . . 163 PRO C . 17233 1 171 . 1 1 16 16 PRO CA C 13 63.585 0.1 . 1 . . . . 163 PRO CA . 17233 1 172 . 1 1 16 16 PRO CB C 13 32.406 0.1 . 1 . . . . 163 PRO CB . 17233 1 173 . 1 1 16 16 PRO CD C 13 51.250 0.005 . 1 . . . . 163 PRO CD . 17233 1 174 . 1 1 16 16 PRO CG C 13 27.623 0.1 . 1 . . . . 163 PRO CG . 17233 1 175 . 1 1 17 17 THR H H 1 8.224 0.02 . 1 . . . . 164 THR H . 17233 1 176 . 1 1 17 17 THR HA H 1 4.318 0.02 . 1 . . . . 164 THR HA . 17233 1 177 . 1 1 17 17 THR HB H 1 4.181 0.002 . 1 . . . . 164 THR HB . 17233 1 178 . 1 1 17 17 THR HG21 H 1 1.235 0.006 . 1 . . . . 164 THR HG21 . 17233 1 179 . 1 1 17 17 THR HG22 H 1 1.235 0.006 . 1 . . . . 164 THR HG22 . 17233 1 180 . 1 1 17 17 THR HG23 H 1 1.235 0.006 . 1 . . . . 164 THR HG23 . 17233 1 181 . 1 1 17 17 THR C C 13 174.422 0.1 . 1 . . . . 164 THR C . 17233 1 182 . 1 1 17 17 THR CA C 13 62.156 0.1 . 1 . . . . 164 THR CA . 17233 1 183 . 1 1 17 17 THR CB C 13 70.353 0.1 . 1 . . . . 164 THR CB . 17233 1 184 . 1 1 17 17 THR CG2 C 13 21.877 0.1 . 1 . . . . 164 THR CG2 . 17233 1 185 . 1 1 17 17 THR N N 15 115.025 0.1 . 1 . . . . 164 THR N . 17233 1 186 . 1 1 18 18 LYS H H 1 8.329 0.02 . 1 . . . . 165 LYS H . 17233 1 187 . 1 1 18 18 LYS HA H 1 4.449 0.002 . 1 . . . . 165 LYS HA . 17233 1 188 . 1 1 18 18 LYS HB2 H 1 1.885 0.007 . 2 . . . . 165 LYS HB2 . 17233 1 189 . 1 1 18 18 LYS HB3 H 1 1.789 0.02 . 2 . . . . 165 LYS HB3 . 17233 1 190 . 1 1 18 18 LYS HD2 H 1 1.669 0.009 . 2 . . . . 165 LYS HD2 . 17233 1 191 . 1 1 18 18 LYS HD3 H 1 1.669 0.009 . 2 . . . . 165 LYS HD3 . 17233 1 192 . 1 1 18 18 LYS HE2 H 1 3.002 0.014 . 2 . . . . 165 LYS HE2 . 17233 1 193 . 1 1 18 18 LYS HE3 H 1 3.002 0.014 . 2 . . . . 165 LYS HE3 . 17233 1 194 . 1 1 18 18 LYS HG2 H 1 1.468 0.012 . 2 . . . . 165 LYS HG2 . 17233 1 195 . 1 1 18 18 LYS HG3 H 1 1.428 0.02 . 2 . . . . 165 LYS HG3 . 17233 1 196 . 1 1 18 18 LYS C C 13 176.683 0.1 . 1 . . . . 165 LYS C . 17233 1 197 . 1 1 18 18 LYS CA C 13 56.110 0.1 . 1 . . . . 165 LYS CA . 17233 1 198 . 1 1 18 18 LYS CB C 13 33.451 0.1 . 1 . . . . 165 LYS CB . 17233 1 199 . 1 1 18 18 LYS CD C 13 29.243 0.1 . 1 . . . . 165 LYS CD . 17233 1 200 . 1 1 18 18 LYS CE C 13 42.230 0.055 . 1 . . . . 165 LYS CE . 17233 1 201 . 1 1 18 18 LYS CG C 13 25.052 0.065 . 1 . . . . 165 LYS CG . 17233 1 202 . 1 1 18 18 LYS N N 15 124.219 0.1 . 1 . . . . 165 LYS N . 17233 1 203 . 1 1 19 19 GLN H H 1 10.266 0.004 . 1 . . . . 166 GLN H . 17233 1 204 . 1 1 19 19 GLN HA H 1 4.321 0.02 . 1 . . . . 166 GLN HA . 17233 1 205 . 1 1 19 19 GLN HB2 H 1 2.135 0.004 . 2 . . . . 166 GLN HB2 . 17233 1 206 . 1 1 19 19 GLN HB3 H 1 1.845 0.02 . 2 . . . . 166 GLN HB3 . 17233 1 207 . 1 1 19 19 GLN HE21 H 1 7.570 0.001 . 2 . . . . 166 GLN HE21 . 17233 1 208 . 1 1 19 19 GLN HE22 H 1 6.828 0.02 . 2 . . . . 166 GLN HE22 . 17233 1 209 . 1 1 19 19 GLN HG2 H 1 2.425 0.003 . 2 . . . . 166 GLN HG2 . 17233 1 210 . 1 1 19 19 GLN HG3 H 1 2.269 0.005 . 2 . . . . 166 GLN HG3 . 17233 1 211 . 1 1 19 19 GLN C C 13 176.200 0.1 . 1 . . . . 166 GLN C . 17233 1 212 . 1 1 19 19 GLN CA C 13 56.882 0.1 . 1 . . . . 166 GLN CA . 17233 1 213 . 1 1 19 19 GLN CB C 13 31.449 0.1 . 1 . . . . 166 GLN CB . 17233 1 214 . 1 1 19 19 GLN CG C 13 35.539 0.1 . 1 . . . . 166 GLN CG . 17233 1 215 . 1 1 19 19 GLN N N 15 123.794 0.1 . 1 . . . . 166 GLN N . 17233 1 216 . 1 1 19 19 GLN NE2 N 15 112.189 0.1 . 1 . . . . 166 GLN NE2 . 17233 1 217 . 1 1 20 20 ASN H H 1 8.920 0.001 . 1 . . . . 167 ASN H . 17233 1 218 . 1 1 20 20 ASN HA H 1 4.138 0.003 . 1 . . . . 167 ASN HA . 17233 1 219 . 1 1 20 20 ASN HB2 H 1 3.410 0.003 . 2 . . . . 167 ASN HB2 . 17233 1 220 . 1 1 20 20 ASN HB3 H 1 2.975 0.005 . 2 . . . . 167 ASN HB3 . 17233 1 221 . 1 1 20 20 ASN HD21 H 1 7.372 0.001 . 2 . . . . 167 ASN HD21 . 17233 1 222 . 1 1 20 20 ASN HD22 H 1 7.248 0.001 . 2 . . . . 167 ASN HD22 . 17233 1 223 . 1 1 20 20 ASN C C 13 174.190 0.1 . 1 . . . . 167 ASN C . 17233 1 224 . 1 1 20 20 ASN CA C 13 53.768 0.1 . 1 . . . . 167 ASN CA . 17233 1 225 . 1 1 20 20 ASN CB C 13 36.167 0.1 . 1 . . . . 167 ASN CB . 17233 1 226 . 1 1 20 20 ASN N N 15 117.843 0.1 . 1 . . . . 167 ASN N . 17233 1 227 . 1 1 20 20 ASN ND2 N 15 108.858 0.1 . 1 . . . . 167 ASN ND2 . 17233 1 228 . 1 1 21 21 ILE H H 1 8.245 0.004 . 1 . . . . 168 ILE H . 17233 1 229 . 1 1 21 21 ILE HA H 1 3.955 0.02 . 1 . . . . 168 ILE HA . 17233 1 230 . 1 1 21 21 ILE HB H 1 1.556 0.014 . 1 . . . . 168 ILE HB . 17233 1 231 . 1 1 21 21 ILE HD11 H 1 0.832 0.008 . 1 . . . . 168 ILE HD11 . 17233 1 232 . 1 1 21 21 ILE HD12 H 1 0.832 0.008 . 1 . . . . 168 ILE HD12 . 17233 1 233 . 1 1 21 21 ILE HD13 H 1 0.832 0.008 . 1 . . . . 168 ILE HD13 . 17233 1 234 . 1 1 21 21 ILE HG12 H 1 1.336 0.02 . 2 . . . . 168 ILE HG12 . 17233 1 235 . 1 1 21 21 ILE HG13 H 1 1.336 0.02 . 2 . . . . 168 ILE HG13 . 17233 1 236 . 1 1 21 21 ILE HG21 H 1 0.873 0.003 . 1 . . . . 168 ILE HG21 . 17233 1 237 . 1 1 21 21 ILE HG22 H 1 0.873 0.003 . 1 . . . . 168 ILE HG22 . 17233 1 238 . 1 1 21 21 ILE HG23 H 1 0.873 0.003 . 1 . . . . 168 ILE HG23 . 17233 1 239 . 1 1 21 21 ILE C C 13 174.074 0.1 . 1 . . . . 168 ILE C . 17233 1 240 . 1 1 21 21 ILE CA C 13 61.030 0.1 . 1 . . . . 168 ILE CA . 17233 1 241 . 1 1 21 21 ILE CB C 13 42.561 0.1 . 1 . . . . 168 ILE CB . 17233 1 242 . 1 1 21 21 ILE CD1 C 13 14.352 0.1 . 1 . . . . 168 ILE CD1 . 17233 1 243 . 1 1 21 21 ILE CG1 C 13 26.977 0.1 . 1 . . . . 168 ILE CG1 . 17233 1 244 . 1 1 21 21 ILE CG2 C 13 17.291 0.1 . 1 . . . . 168 ILE CG2 . 17233 1 245 . 1 1 21 21 ILE N N 15 118.871 0.1 . 1 . . . . 168 ILE N . 17233 1 246 . 1 1 22 22 ILE H H 1 8.038 0.003 . 1 . . . . 169 ILE H . 17233 1 247 . 1 1 22 22 ILE HA H 1 4.870 0.02 . 1 . . . . 169 ILE HA . 17233 1 248 . 1 1 22 22 ILE HB H 1 1.765 0.002 . 1 . . . . 169 ILE HB . 17233 1 249 . 1 1 22 22 ILE HD11 H 1 0.594 0.004 . 1 . . . . 169 ILE HD11 . 17233 1 250 . 1 1 22 22 ILE HD12 H 1 0.594 0.004 . 1 . . . . 169 ILE HD12 . 17233 1 251 . 1 1 22 22 ILE HD13 H 1 0.594 0.004 . 1 . . . . 169 ILE HD13 . 17233 1 252 . 1 1 22 22 ILE HG12 H 1 0.655 0.004 . 2 . . . . 169 ILE HG12 . 17233 1 253 . 1 1 22 22 ILE HG13 H 1 1.503 0.02 . 2 . . . . 169 ILE HG13 . 17233 1 254 . 1 1 22 22 ILE HG21 H 1 0.611 0.011 . 1 . . . . 169 ILE HG21 . 17233 1 255 . 1 1 22 22 ILE HG22 H 1 0.611 0.011 . 1 . . . . 169 ILE HG22 . 17233 1 256 . 1 1 22 22 ILE HG23 H 1 0.611 0.011 . 1 . . . . 169 ILE HG23 . 17233 1 257 . 1 1 22 22 ILE C C 13 174.287 0.1 . 1 . . . . 169 ILE C . 17233 1 258 . 1 1 22 22 ILE CA C 13 59.892 0.1 . 1 . . . . 169 ILE CA . 17233 1 259 . 1 1 22 22 ILE CB C 13 41.486 0.147 . 1 . . . . 169 ILE CB . 17233 1 260 . 1 1 22 22 ILE CD1 C 13 14.700 0.1 . 1 . . . . 169 ILE CD1 . 17233 1 261 . 1 1 22 22 ILE CG1 C 13 28.595 0.1 . 1 . . . . 169 ILE CG1 . 17233 1 262 . 1 1 22 22 ILE CG2 C 13 17.791 0.1 . 1 . . . . 169 ILE CG2 . 17233 1 263 . 1 1 22 22 ILE N N 15 123.498 0.1 . 1 . . . . 169 ILE N . 17233 1 264 . 1 1 23 23 GLN H H 1 8.677 0.002 . 1 . . . . 170 GLN H . 17233 1 265 . 1 1 23 23 GLN HA H 1 5.378 0.006 . 1 . . . . 170 GLN HA . 17233 1 266 . 1 1 23 23 GLN HB2 H 1 2.002 0.014 . 2 . . . . 170 GLN HB2 . 17233 1 267 . 1 1 23 23 GLN HB3 H 1 1.890 0.02 . 2 . . . . 170 GLN HB3 . 17233 1 268 . 1 1 23 23 GLN HE21 H 1 7.181 0.002 . 2 . . . . 170 GLN HE21 . 17233 1 269 . 1 1 23 23 GLN HE22 H 1 6.630 0.006 . 2 . . . . 170 GLN HE22 . 17233 1 270 . 1 1 23 23 GLN HG2 H 1 2.359 0.008 . 2 . . . . 170 GLN HG2 . 17233 1 271 . 1 1 23 23 GLN HG3 H 1 2.359 0.008 . 2 . . . . 170 GLN HG3 . 17233 1 272 . 1 1 23 23 GLN C C 13 175.543 0.1 . 1 . . . . 170 GLN C . 17233 1 273 . 1 1 23 23 GLN CA C 13 53.972 0.1 . 1 . . . . 170 GLN CA . 17233 1 274 . 1 1 23 23 GLN CB C 13 31.115 0.1 . 1 . . . . 170 GLN CB . 17233 1 275 . 1 1 23 23 GLN CG C 13 33.879 0.1 . 1 . . . . 170 GLN CG . 17233 1 276 . 1 1 23 23 GLN N N 15 126.347 0.1 . 1 . . . . 170 GLN N . 17233 1 277 . 1 1 23 23 GLN NE2 N 15 111.123 0.1 . 1 . . . . 170 GLN NE2 . 17233 1 278 . 1 1 24 24 SER H H 1 8.781 0.001 . 1 . . . . 171 SER H . 17233 1 279 . 1 1 24 24 SER HA H 1 4.609 0.006 . 1 . . . . 171 SER HA . 17233 1 280 . 1 1 24 24 SER HB2 H 1 4.430 0.006 . 2 . . . . 171 SER HB2 . 17233 1 281 . 1 1 24 24 SER HB3 H 1 2.825 0.004 . 2 . . . . 171 SER HB3 . 17233 1 282 . 1 1 24 24 SER HG H 1 5.914 0.02 . 1 . . . . 171 SER HG . 17233 1 283 . 1 1 24 24 SER C C 13 174.480 0.1 . 1 . . . . 171 SER C . 17233 1 284 . 1 1 24 24 SER CA C 13 59.043 0.1 . 1 . . . . 171 SER CA . 17233 1 285 . 1 1 24 24 SER CB C 13 67.094 0.003 . 1 . . . . 171 SER CB . 17233 1 286 . 1 1 24 24 SER N N 15 123.414 0.1 . 1 . . . . 171 SER N . 17233 1 287 . 1 1 25 25 GLY H H 1 8.564 0.005 . 1 . . . . 172 GLY H . 17233 1 288 . 1 1 25 25 GLY HA2 H 1 4.322 0.02 . 2 . . . . 172 GLY HA2 . 17233 1 289 . 1 1 25 25 GLY HA3 H 1 3.890 0.011 . 2 . . . . 172 GLY HA3 . 17233 1 290 . 1 1 25 25 GLY C C 13 173.166 0.1 . 1 . . . . 172 GLY C . 17233 1 291 . 1 1 25 25 GLY CA C 13 44.714 0.1 . 1 . . . . 172 GLY CA . 17233 1 292 . 1 1 25 25 GLY N N 15 105.192 0.1 . 1 . . . . 172 GLY N . 17233 1 293 . 1 1 26 26 ALA H H 1 8.214 0.003 . 1 . . . . 173 ALA H . 17233 1 294 . 1 1 26 26 ALA HA H 1 4.678 0.02 . 1 . . . . 173 ALA HA . 17233 1 295 . 1 1 26 26 ALA HB1 H 1 1.188 0.005 . 1 . . . . 173 ALA HB1 . 17233 1 296 . 1 1 26 26 ALA HB2 H 1 1.188 0.005 . 1 . . . . 173 ALA HB2 . 17233 1 297 . 1 1 26 26 ALA HB3 H 1 1.188 0.005 . 1 . . . . 173 ALA HB3 . 17233 1 298 . 1 1 26 26 ALA C C 13 178.017 0.1 . 1 . . . . 173 ALA C . 17233 1 299 . 1 1 26 26 ALA CA C 13 51.702 0.1 . 1 . . . . 173 ALA CA . 17233 1 300 . 1 1 26 26 ALA CB C 13 19.995 0.1 . 1 . . . . 173 ALA CB . 17233 1 301 . 1 1 26 26 ALA N N 15 121.685 0.1 . 1 . . . . 173 ALA N . 17233 1 302 . 1 1 27 27 PHE H H 1 9.296 0.001 . 1 . . . . 174 PHE H . 17233 1 303 . 1 1 27 27 PHE HA H 1 4.723 0.02 . 1 . . . . 174 PHE HA . 17233 1 304 . 1 1 27 27 PHE HB2 H 1 2.828 0.02 . 2 . . . . 174 PHE HB2 . 17233 1 305 . 1 1 27 27 PHE HB3 H 1 1.895 0.015 . 2 . . . . 174 PHE HB3 . 17233 1 306 . 1 1 27 27 PHE HD1 H 1 7.070 0.02 . 1 . . . . 174 PHE HD1 . 17233 1 307 . 1 1 27 27 PHE HD2 H 1 7.070 0.02 . 1 . . . . 174 PHE HD2 . 17233 1 308 . 1 1 27 27 PHE HE1 H 1 7.362 0.02 . 1 . . . . 174 PHE HE1 . 17233 1 309 . 1 1 27 27 PHE HE2 H 1 7.362 0.02 . 1 . . . . 174 PHE HE2 . 17233 1 310 . 1 1 27 27 PHE HZ H 1 7.358 0.02 . 1 . . . . 174 PHE HZ . 17233 1 311 . 1 1 27 27 PHE C C 13 173.804 0.1 . 1 . . . . 174 PHE C . 17233 1 312 . 1 1 27 27 PHE CA C 13 55.452 0.1 . 1 . . . . 174 PHE CA . 17233 1 313 . 1 1 27 27 PHE CB C 13 41.558 0.1 . 1 . . . . 174 PHE CB . 17233 1 314 . 1 1 27 27 PHE CD1 C 13 134.898 0.1 . 1 . . . . 174 PHE CD1 . 17233 1 315 . 1 1 27 27 PHE CE1 C 13 130.237 0.1 . 1 . . . . 174 PHE CE1 . 17233 1 316 . 1 1 27 27 PHE CZ C 13 127.388 0.1 . 1 . . . . 174 PHE CZ . 17233 1 317 . 1 1 27 27 PHE N N 15 120.647 0.1 . 1 . . . . 174 PHE N . 17233 1 318 . 1 1 28 28 SER H H 1 8.679 0.003 . 1 . . . . 175 SER H . 17233 1 319 . 1 1 28 28 SER HA H 1 4.681 0.02 . 1 . . . . 175 SER HA . 17233 1 320 . 1 1 28 28 SER HB2 H 1 4.176 0.02 . 2 . . . . 175 SER HB2 . 17233 1 321 . 1 1 28 28 SER HB3 H 1 3.993 0.001 . 2 . . . . 175 SER HB3 . 17233 1 322 . 1 1 28 28 SER C C 13 174.990 0.1 . 1 . . . . 175 SER C . 17233 1 323 . 1 1 28 28 SER CA C 13 57.081 0.1 . 1 . . . . 175 SER CA . 17233 1 324 . 1 1 28 28 SER CB C 13 64.867 0.058 . 1 . . . . 175 SER CB . 17233 1 325 . 1 1 28 28 SER N N 15 112.599 0.1 . 1 . . . . 175 SER N . 17233 1 326 . 1 1 29 29 PRO HA H 1 4.175 0.007 . 1 . . . . 176 PRO HA . 17233 1 327 . 1 1 29 29 PRO HB2 H 1 2.334 0.02 . 2 . . . . 176 PRO HB2 . 17233 1 328 . 1 1 29 29 PRO HB3 H 1 1.704 0.008 . 2 . . . . 176 PRO HB3 . 17233 1 329 . 1 1 29 29 PRO HD2 H 1 4.168 0.02 . 2 . . . . 176 PRO HD2 . 17233 1 330 . 1 1 29 29 PRO HD3 H 1 3.964 0.006 . 2 . . . . 176 PRO HD3 . 17233 1 331 . 1 1 29 29 PRO HG2 H 1 2.021 0.02 . 2 . . . . 176 PRO HG2 . 17233 1 332 . 1 1 29 29 PRO HG3 H 1 1.956 0.004 . 2 . . . . 176 PRO HG3 . 17233 1 333 . 1 1 29 29 PRO C C 13 179.300 0.1 . 1 . . . . 176 PRO C . 17233 1 334 . 1 1 29 29 PRO CA C 13 64.996 0.103 . 1 . . . . 176 PRO CA . 17233 1 335 . 1 1 29 29 PRO CB C 13 33.535 0.1 . 1 . . . . 176 PRO CB . 17233 1 336 . 1 1 29 29 PRO CD C 13 52.011 0.1 . 1 . . . . 176 PRO CD . 17233 1 337 . 1 1 29 29 PRO CG C 13 28.389 0.1 . 1 . . . . 176 PRO CG . 17233 1 338 . 1 1 30 30 TYR H H 1 7.939 0.007 . 1 . . . . 177 TYR H . 17233 1 339 . 1 1 30 30 TYR HA H 1 4.131 0.007 . 1 . . . . 177 TYR HA . 17233 1 340 . 1 1 30 30 TYR HB2 H 1 3.251 0.02 . 2 . . . . 177 TYR HB2 . 17233 1 341 . 1 1 30 30 TYR HB3 H 1 3.060 0.002 . 2 . . . . 177 TYR HB3 . 17233 1 342 . 1 1 30 30 TYR HD1 H 1 7.229 0.02 . 1 . . . . 177 TYR HD1 . 17233 1 343 . 1 1 30 30 TYR HD2 H 1 7.229 0.02 . 1 . . . . 177 TYR HD2 . 17233 1 344 . 1 1 30 30 TYR HE1 H 1 6.949 0.003 . 1 . . . . 177 TYR HE1 . 17233 1 345 . 1 1 30 30 TYR HE2 H 1 6.949 0.003 . 1 . . . . 177 TYR HE2 . 17233 1 346 . 1 1 30 30 TYR C C 13 176.993 0.1 . 1 . . . . 177 TYR C . 17233 1 347 . 1 1 30 30 TYR CA C 13 61.617 0.1 . 1 . . . . 177 TYR CA . 17233 1 348 . 1 1 30 30 TYR CB C 13 37.753 0.055 . 1 . . . . 177 TYR CB . 17233 1 349 . 1 1 30 30 TYR CD1 C 13 133.085 0.1 . 1 . . . . 177 TYR CD1 . 17233 1 350 . 1 1 30 30 TYR CE1 C 13 118.843 0.1 . 1 . . . . 177 TYR CE1 . 17233 1 351 . 1 1 30 30 TYR N N 15 115.199 0.1 . 1 . . . . 177 TYR N . 17233 1 352 . 1 1 31 31 GLU H H 1 8.233 0.002 . 1 . . . . 178 GLU H . 17233 1 353 . 1 1 31 31 GLU HA H 1 4.727 0.02 . 1 . . . . 178 GLU HA . 17233 1 354 . 1 1 31 31 GLU HB2 H 1 2.666 0.009 . 2 . . . . 178 GLU HB2 . 17233 1 355 . 1 1 31 31 GLU HB3 H 1 2.392 0.02 . 2 . . . . 178 GLU HB3 . 17233 1 356 . 1 1 31 31 GLU HG2 H 1 2.674 0.003 . 2 . . . . 178 GLU HG2 . 17233 1 357 . 1 1 31 31 GLU HG3 H 1 2.483 0.005 . 2 . . . . 178 GLU HG3 . 17233 1 358 . 1 1 31 31 GLU C C 13 177.766 0.1 . 1 . . . . 178 GLU C . 17233 1 359 . 1 1 31 31 GLU CA C 13 57.185 0.1 . 1 . . . . 178 GLU CA . 17233 1 360 . 1 1 31 31 GLU CB C 13 30.777 0.1 . 1 . . . . 178 GLU CB . 17233 1 361 . 1 1 31 31 GLU CG C 13 36.040 0.1 . 1 . . . . 178 GLU CG . 17233 1 362 . 1 1 31 31 GLU N N 15 116.923 0.1 . 1 . . . . 178 GLU N . 17233 1 363 . 1 1 32 32 THR H H 1 7.902 0.02 . 1 . . . . 179 THR H . 17233 1 364 . 1 1 32 32 THR HA H 1 3.946 0.002 . 1 . . . . 179 THR HA . 17233 1 365 . 1 1 32 32 THR HB H 1 4.189 0.008 . 1 . . . . 179 THR HB . 17233 1 366 . 1 1 32 32 THR HG1 H 1 4.456 0.02 . 1 . . . . 179 THR HG1 . 17233 1 367 . 1 1 32 32 THR HG21 H 1 1.117 0.02 . 1 . . . . 179 THR HG21 . 17233 1 368 . 1 1 32 32 THR HG22 H 1 1.117 0.02 . 1 . . . . 179 THR HG22 . 17233 1 369 . 1 1 32 32 THR HG23 H 1 1.117 0.02 . 1 . . . . 179 THR HG23 . 17233 1 370 . 1 1 32 32 THR C C 13 177.748 0.1 . 1 . . . . 179 THR C . 17233 1 371 . 1 1 32 32 THR CA C 13 69.034 0.1 . 1 . . . . 179 THR CA . 17233 1 372 . 1 1 32 32 THR CB C 13 68.063 0.1 . 1 . . . . 179 THR CB . 17233 1 373 . 1 1 32 32 THR CG2 C 13 24.387 0.1 . 1 . . . . 179 THR CG2 . 17233 1 374 . 1 1 32 32 THR N N 15 112.698 0.1 . 1 . . . . 179 THR N . 17233 1 375 . 1 1 33 33 PRO HA H 1 3.774 0.02 . 1 . . . . 180 PRO HA . 17233 1 376 . 1 1 33 33 PRO HB2 H 1 1.867 0.02 . 2 . . . . 180 PRO HB2 . 17233 1 377 . 1 1 33 33 PRO HB3 H 1 1.656 0.02 . 2 . . . . 180 PRO HB3 . 17233 1 378 . 1 1 33 33 PRO HD2 H 1 3.678 0.007 . 2 . . . . 180 PRO HD2 . 17233 1 379 . 1 1 33 33 PRO HD3 H 1 3.937 0.001 . 2 . . . . 180 PRO HD3 . 17233 1 380 . 1 1 33 33 PRO HG2 H 1 2.183 0.02 . 2 . . . . 180 PRO HG2 . 17233 1 381 . 1 1 33 33 PRO HG3 H 1 1.997 0.006 . 2 . . . . 180 PRO HG3 . 17233 1 382 . 1 1 33 33 PRO C C 13 174.214 0.1 . 1 . . . . 180 PRO C . 17233 1 383 . 1 1 33 33 PRO CA C 13 67.087 0.1 . 1 . . . . 180 PRO CA . 17233 1 384 . 1 1 33 33 PRO CB C 13 31.027 0.1 . 1 . . . . 180 PRO CB . 17233 1 385 . 1 1 33 33 PRO CD C 13 49.960 0.1 . 1 . . . . 180 PRO CD . 17233 1 386 . 1 1 33 33 PRO CG C 13 28.595 0.1 . 1 . . . . 180 PRO CG . 17233 1 387 . 1 1 34 34 ASP H H 1 7.572 0.005 . 1 . . . . 181 ASP H . 17233 1 388 . 1 1 34 34 ASP HA H 1 4.413 0.003 . 1 . . . . 181 ASP HA . 17233 1 389 . 1 1 34 34 ASP HB2 H 1 2.899 0.006 . 2 . . . . 181 ASP HB2 . 17233 1 390 . 1 1 34 34 ASP HB3 H 1 2.899 0.006 . 2 . . . . 181 ASP HB3 . 17233 1 391 . 1 1 34 34 ASP C C 13 178.365 0.1 . 1 . . . . 181 ASP C . 17233 1 392 . 1 1 34 34 ASP CA C 13 57.634 0.1 . 1 . . . . 181 ASP CA . 17233 1 393 . 1 1 34 34 ASP CB C 13 42.687 0.1 . 1 . . . . 181 ASP CB . 17233 1 394 . 1 1 34 34 ASP N N 15 117.836 0.007 . 1 . . . . 181 ASP N . 17233 1 395 . 1 1 35 35 VAL H H 1 7.834 0.007 . 1 . . . . 182 VAL H . 17233 1 396 . 1 1 35 35 VAL HA H 1 3.624 0.004 . 1 . . . . 182 VAL HA . 17233 1 397 . 1 1 35 35 VAL HB H 1 2.158 0.009 . 1 . . . . 182 VAL HB . 17233 1 398 . 1 1 35 35 VAL HG11 H 1 1.020 0.02 . 2 . . . . 182 VAL HG11 . 17233 1 399 . 1 1 35 35 VAL HG12 H 1 1.020 0.02 . 2 . . . . 182 VAL HG12 . 17233 1 400 . 1 1 35 35 VAL HG13 H 1 1.020 0.02 . 2 . . . . 182 VAL HG13 . 17233 1 401 . 1 1 35 35 VAL HG21 H 1 1.126 0.003 . 2 . . . . 182 VAL HG21 . 17233 1 402 . 1 1 35 35 VAL HG22 H 1 1.126 0.003 . 2 . . . . 182 VAL HG22 . 17233 1 403 . 1 1 35 35 VAL HG23 H 1 1.126 0.003 . 2 . . . . 182 VAL HG23 . 17233 1 404 . 1 1 35 35 VAL C C 13 178.461 0.1 . 1 . . . . 182 VAL C . 17233 1 405 . 1 1 35 35 VAL CA C 13 66.034 0.1 . 1 . . . . 182 VAL CA . 17233 1 406 . 1 1 35 35 VAL CB C 13 32.595 0.1 . 1 . . . . 182 VAL CB . 17233 1 407 . 1 1 35 35 VAL CG1 C 13 23.026 0.1 . 1 . . . . 182 VAL CG1 . 17233 1 408 . 1 1 35 35 VAL CG2 C 13 23.416 0.1 . 1 . . . . 182 VAL CG2 . 17233 1 409 . 1 1 35 35 VAL N N 15 120.042 0.1 . 1 . . . . 182 VAL N . 17233 1 410 . 1 1 36 36 MET H H 1 8.919 0.012 . 1 . . . . 183 MET H . 17233 1 411 . 1 1 36 36 MET HA H 1 3.850 0.009 . 1 . . . . 183 MET HA . 17233 1 412 . 1 1 36 36 MET HB2 H 1 1.959 0.004 . 2 . . . . 183 MET HB2 . 17233 1 413 . 1 1 36 36 MET HB3 H 1 1.741 0.007 . 2 . . . . 183 MET HB3 . 17233 1 414 . 1 1 36 36 MET HE1 H 1 1.108 0.02 . 1 . . . . 183 MET HE1 . 17233 1 415 . 1 1 36 36 MET HE2 H 1 1.108 0.02 . 1 . . . . 183 MET HE2 . 17233 1 416 . 1 1 36 36 MET HE3 H 1 1.108 0.02 . 1 . . . . 183 MET HE3 . 17233 1 417 . 1 1 36 36 MET HG2 H 1 2.333 0.001 . 2 . . . . 183 MET HG2 . 17233 1 418 . 1 1 36 36 MET HG3 H 1 1.745 0.006 . 2 . . . . 183 MET HG3 . 17233 1 419 . 1 1 36 36 MET C C 13 177.630 0.1 . 1 . . . . 183 MET C . 17233 1 420 . 1 1 36 36 MET CA C 13 61.403 0.1 . 1 . . . . 183 MET CA . 17233 1 421 . 1 1 36 36 MET CB C 13 31.090 0.1 . 1 . . . . 183 MET CB . 17233 1 422 . 1 1 36 36 MET CE C 13 17.613 0.1 . 1 . . . . 183 MET CE . 17233 1 423 . 1 1 36 36 MET CG C 13 37.327 0.1 . 1 . . . . 183 MET CG . 17233 1 424 . 1 1 36 36 MET N N 15 118.538 0.1 . 1 . . . . 183 MET N . 17233 1 425 . 1 1 37 37 GLY H H 1 7.983 0.003 . 1 . . . . 184 GLY H . 17233 1 426 . 1 1 37 37 GLY HA2 H 1 3.842 0.013 . 2 . . . . 184 GLY HA2 . 17233 1 427 . 1 1 37 37 GLY HA3 H 1 3.698 0.02 . 2 . . . . 184 GLY HA3 . 17233 1 428 . 1 1 37 37 GLY C C 13 176.471 0.1 . 1 . . . . 184 GLY C . 17233 1 429 . 1 1 37 37 GLY CA C 13 47.386 0.1 . 1 . . . . 184 GLY CA . 17233 1 430 . 1 1 37 37 GLY N N 15 105.225 0.1 . 1 . . . . 184 GLY N . 17233 1 431 . 1 1 38 38 ALA H H 1 7.814 0.02 . 1 . . . . 185 ALA H . 17233 1 432 . 1 1 38 38 ALA HA H 1 3.813 0.007 . 1 . . . . 185 ALA HA . 17233 1 433 . 1 1 38 38 ALA HB1 H 1 0.620 0.002 . 1 . . . . 185 ALA HB1 . 17233 1 434 . 1 1 38 38 ALA HB2 H 1 0.620 0.002 . 1 . . . . 185 ALA HB2 . 17233 1 435 . 1 1 38 38 ALA HB3 H 1 0.620 0.002 . 1 . . . . 185 ALA HB3 . 17233 1 436 . 1 1 38 38 ALA C C 13 180.355 0.1 . 1 . . . . 185 ALA C . 17233 1 437 . 1 1 38 38 ALA CA C 13 55.273 0.1 . 1 . . . . 185 ALA CA . 17233 1 438 . 1 1 38 38 ALA CB C 13 16.979 0.1 . 1 . . . . 185 ALA CB . 17233 1 439 . 1 1 38 38 ALA N N 15 126.838 0.1 . 1 . . . . 185 ALA N . 17233 1 440 . 1 1 39 39 LEU H H 1 7.821 0.003 . 1 . . . . 186 LEU H . 17233 1 441 . 1 1 39 39 LEU HA H 1 3.809 0.002 . 1 . . . . 186 LEU HA . 17233 1 442 . 1 1 39 39 LEU HB2 H 1 1.802 0.006 . 2 . . . . 186 LEU HB2 . 17233 1 443 . 1 1 39 39 LEU HB3 H 1 0.982 0.003 . 2 . . . . 186 LEU HB3 . 17233 1 444 . 1 1 39 39 LEU HD11 H 1 0.241 0.009 . 2 . . . . 186 LEU HD11 . 17233 1 445 . 1 1 39 39 LEU HD12 H 1 0.241 0.009 . 2 . . . . 186 LEU HD12 . 17233 1 446 . 1 1 39 39 LEU HD13 H 1 0.241 0.009 . 2 . . . . 186 LEU HD13 . 17233 1 447 . 1 1 39 39 LEU HD21 H 1 0.683 0.002 . 2 . . . . 186 LEU HD21 . 17233 1 448 . 1 1 39 39 LEU HD22 H 1 0.683 0.002 . 2 . . . . 186 LEU HD22 . 17233 1 449 . 1 1 39 39 LEU HD23 H 1 0.683 0.002 . 2 . . . . 186 LEU HD23 . 17233 1 450 . 1 1 39 39 LEU HG H 1 1.305 0.002 . 1 . . . . 186 LEU HG . 17233 1 451 . 1 1 39 39 LEU C C 13 179.775 0.1 . 1 . . . . 186 LEU C . 17233 1 452 . 1 1 39 39 LEU CA C 13 58.714 0.1 . 1 . . . . 186 LEU CA . 17233 1 453 . 1 1 39 39 LEU CB C 13 42.248 0.1 . 1 . . . . 186 LEU CB . 17233 1 454 . 1 1 39 39 LEU CD1 C 13 28.272 0.1 . 1 . . . . 186 LEU CD1 . 17233 1 455 . 1 1 39 39 LEU CD2 C 13 24.387 0.1 . 1 . . . . 186 LEU CD2 . 17233 1 456 . 1 1 39 39 LEU CG C 13 27.624 0.1 . 1 . . . . 186 LEU CG . 17233 1 457 . 1 1 39 39 LEU N N 15 118.943 0.1 . 1 . . . . 186 LEU N . 17233 1 458 . 1 1 40 40 THR H H 1 8.853 0.004 . 1 . . . . 187 THR H . 17233 1 459 . 1 1 40 40 THR HA H 1 4.082 0.02 . 1 . . . . 187 THR HA . 17233 1 460 . 1 1 40 40 THR HB H 1 4.044 0.009 . 1 . . . . 187 THR HB . 17233 1 461 . 1 1 40 40 THR HG1 H 1 5.484 0.001 . 1 . . . . 187 THR HG1 . 17233 1 462 . 1 1 40 40 THR HG21 H 1 1.206 0.002 . 1 . . . . 187 THR HG21 . 17233 1 463 . 1 1 40 40 THR HG22 H 1 1.206 0.002 . 1 . . . . 187 THR HG22 . 17233 1 464 . 1 1 40 40 THR HG23 H 1 1.206 0.002 . 1 . . . . 187 THR HG23 . 17233 1 465 . 1 1 40 40 THR C C 13 179.389 0.1 . 1 . . . . 187 THR C . 17233 1 466 . 1 1 40 40 THR CA C 13 67.211 0.1 . 1 . . . . 187 THR CA . 17233 1 467 . 1 1 40 40 THR CB C 13 68.710 0.1 . 1 . . . . 187 THR CB . 17233 1 468 . 1 1 40 40 THR CG2 C 13 22.445 0.1 . 1 . . . . 187 THR CG2 . 17233 1 469 . 1 1 40 40 THR N N 15 117.562 0.1 . 1 . . . . 187 THR N . 17233 1 470 . 1 1 41 41 SER H H 1 8.489 0.008 . 1 . . . . 188 SER H . 17233 1 471 . 1 1 41 41 SER HA H 1 4.227 0.003 . 1 . . . . 188 SER HA . 17233 1 472 . 1 1 41 41 SER HB2 H 1 3.994 0.02 . 2 . . . . 188 SER HB2 . 17233 1 473 . 1 1 41 41 SER HB3 H 1 3.994 0.02 . 2 . . . . 188 SER HB3 . 17233 1 474 . 1 1 41 41 SER C C 13 175.253 0.1 . 1 . . . . 188 SER C . 17233 1 475 . 1 1 41 41 SER CA C 13 62.335 0.1 . 1 . . . . 188 SER CA . 17233 1 476 . 1 1 41 41 SER N N 15 120.624 0.1 . 1 . . . . 188 SER N . 17233 1 477 . 1 1 42 42 LEU H H 1 7.243 0.002 . 1 . . . . 189 LEU H . 17233 1 478 . 1 1 42 42 LEU HA H 1 4.408 0.006 . 1 . . . . 189 LEU HA . 17233 1 479 . 1 1 42 42 LEU HB2 H 1 1.733 0.001 . 2 . . . . 189 LEU HB2 . 17233 1 480 . 1 1 42 42 LEU HB3 H 1 1.542 0.02 . 2 . . . . 189 LEU HB3 . 17233 1 481 . 1 1 42 42 LEU HD11 H 1 0.794 0.001 . 2 . . . . 189 LEU HD11 . 17233 1 482 . 1 1 42 42 LEU HD12 H 1 0.794 0.001 . 2 . . . . 189 LEU HD12 . 17233 1 483 . 1 1 42 42 LEU HD13 H 1 0.794 0.001 . 2 . . . . 189 LEU HD13 . 17233 1 484 . 1 1 42 42 LEU HD21 H 1 0.795 0.02 . 2 . . . . 189 LEU HD21 . 17233 1 485 . 1 1 42 42 LEU HD22 H 1 0.795 0.02 . 2 . . . . 189 LEU HD22 . 17233 1 486 . 1 1 42 42 LEU HD23 H 1 0.795 0.02 . 2 . . . . 189 LEU HD23 . 17233 1 487 . 1 1 42 42 LEU HG H 1 1.688 0.008 . 1 . . . . 189 LEU HG . 17233 1 488 . 1 1 42 42 LEU C C 13 175.891 0.1 . 1 . . . . 189 LEU C . 17233 1 489 . 1 1 42 42 LEU CA C 13 54.401 0.1 . 1 . . . . 189 LEU CA . 17233 1 490 . 1 1 42 42 LEU CB C 13 43.157 0.070 . 1 . . . . 189 LEU CB . 17233 1 491 . 1 1 42 42 LEU CD1 C 13 23.026 0.1 . 1 . . . . 189 LEU CD1 . 17233 1 492 . 1 1 42 42 LEU CD2 C 13 26.729 0.1 . 1 . . . . 189 LEU CD2 . 17233 1 493 . 1 1 42 42 LEU CG C 13 26.977 0.1 . 1 . . . . 189 LEU CG . 17233 1 494 . 1 1 42 42 LEU N N 15 121.168 0.1 . 1 . . . . 189 LEU N . 17233 1 495 . 1 1 43 43 LYS H H 1 8.327 0.002 . 1 . . . . 190 LYS H . 17233 1 496 . 1 1 43 43 LYS HA H 1 4.179 0.009 . 1 . . . . 190 LYS HA . 17233 1 497 . 1 1 43 43 LYS HB2 H 1 1.968 0.017 . 2 . . . . 190 LYS HB2 . 17233 1 498 . 1 1 43 43 LYS HB3 H 1 1.968 0.017 . 2 . . . . 190 LYS HB3 . 17233 1 499 . 1 1 43 43 LYS HD2 H 1 1.415 0.009 . 2 . . . . 190 LYS HD2 . 17233 1 500 . 1 1 43 43 LYS HD3 H 1 1.415 0.009 . 2 . . . . 190 LYS HD3 . 17233 1 501 . 1 1 43 43 LYS HE2 H 1 3.016 0.02 . 2 . . . . 190 LYS HE2 . 17233 1 502 . 1 1 43 43 LYS HE3 H 1 3.016 0.02 . 2 . . . . 190 LYS HE3 . 17233 1 503 . 1 1 43 43 LYS HG2 H 1 1.403 0.02 . 2 . . . . 190 LYS HG2 . 17233 1 504 . 1 1 43 43 LYS HG3 H 1 1.403 0.02 . 2 . . . . 190 LYS HG3 . 17233 1 505 . 1 1 43 43 LYS C C 13 175.736 0.1 . 1 . . . . 190 LYS C . 17233 1 506 . 1 1 43 43 LYS CA C 13 57.200 0.1 . 1 . . . . 190 LYS CA . 17233 1 507 . 1 1 43 43 LYS CB C 13 28.771 0.1 . 1 . . . . 190 LYS CB . 17233 1 508 . 1 1 43 43 LYS CD C 13 25.228 0.137 . 1 . . . . 190 LYS CD . 17233 1 509 . 1 1 43 43 LYS CE C 13 42.434 0.1 . 1 . . . . 190 LYS CE . 17233 1 510 . 1 1 43 43 LYS N N 15 117.334 0.1 . 1 . . . . 190 LYS N . 17233 1 511 . 1 1 44 44 MET H H 1 8.271 0.007 . 1 . . . . 191 MET H . 17233 1 512 . 1 1 44 44 MET HA H 1 4.561 0.005 . 1 . . . . 191 MET HA . 17233 1 513 . 1 1 44 44 MET HB2 H 1 2.266 0.008 . 2 . . . . 191 MET HB2 . 17233 1 514 . 1 1 44 44 MET HB3 H 1 1.707 0.004 . 2 . . . . 191 MET HB3 . 17233 1 515 . 1 1 44 44 MET HE1 H 1 1.981 0.02 . 1 . . . . 191 MET HE1 . 17233 1 516 . 1 1 44 44 MET HE2 H 1 1.981 0.02 . 1 . . . . 191 MET HE2 . 17233 1 517 . 1 1 44 44 MET HE3 H 1 1.981 0.02 . 1 . . . . 191 MET HE3 . 17233 1 518 . 1 1 44 44 MET HG2 H 1 2.535 0.007 . 2 . . . . 191 MET HG2 . 17233 1 519 . 1 1 44 44 MET HG3 H 1 2.317 0.02 . 2 . . . . 191 MET HG3 . 17233 1 520 . 1 1 44 44 MET C C 13 175.427 0.1 . 1 . . . . 191 MET C . 17233 1 521 . 1 1 44 44 MET CA C 13 55.086 0.1 . 1 . . . . 191 MET CA . 17233 1 522 . 1 1 44 44 MET CB C 13 37.797 0.1 . 1 . . . . 191 MET CB . 17233 1 523 . 1 1 44 44 MET CE C 13 16.642 0.1 . 1 . . . . 191 MET CE . 17233 1 524 . 1 1 44 44 MET CG C 13 31.834 0.002 . 1 . . . . 191 MET CG . 17233 1 525 . 1 1 44 44 MET N N 15 117.971 0.1 . 1 . . . . 191 MET N . 17233 1 526 . 1 1 45 45 THR H H 1 8.564 0.005 . 1 . . . . 192 THR H . 17233 1 527 . 1 1 45 45 THR HA H 1 4.310 0.003 . 1 . . . . 192 THR HA . 17233 1 528 . 1 1 45 45 THR HB H 1 4.555 0.02 . 1 . . . . 192 THR HB . 17233 1 529 . 1 1 45 45 THR HG21 H 1 0.985 0.010 . 1 . . . . 192 THR HG21 . 17233 1 530 . 1 1 45 45 THR HG22 H 1 0.985 0.010 . 1 . . . . 192 THR HG22 . 17233 1 531 . 1 1 45 45 THR HG23 H 1 0.985 0.010 . 1 . . . . 192 THR HG23 . 17233 1 532 . 1 1 45 45 THR C C 13 173.572 0.1 . 1 . . . . 192 THR C . 17233 1 533 . 1 1 45 45 THR CA C 13 60.401 0.1 . 1 . . . . 192 THR CA . 17233 1 534 . 1 1 45 45 THR CB C 13 71.624 0.1 . 1 . . . . 192 THR CB . 17233 1 535 . 1 1 45 45 THR CG2 C 13 22.771 0.1 . 1 . . . . 192 THR CG2 . 17233 1 536 . 1 1 45 45 THR N N 15 108.235 0.1 . 1 . . . . 192 THR N . 17233 1 537 . 1 1 46 46 ALA H H 1 7.327 0.008 . 1 . . . . 193 ALA H . 17233 1 538 . 1 1 46 46 ALA HA H 1 4.837 0.02 . 1 . . . . 193 ALA HA . 17233 1 539 . 1 1 46 46 ALA HB1 H 1 1.181 0.013 . 1 . . . . 193 ALA HB1 . 17233 1 540 . 1 1 46 46 ALA HB2 H 1 1.181 0.013 . 1 . . . . 193 ALA HB2 . 17233 1 541 . 1 1 46 46 ALA HB3 H 1 1.181 0.013 . 1 . . . . 193 ALA HB3 . 17233 1 542 . 1 1 46 46 ALA C C 13 173.765 0.1 . 1 . . . . 193 ALA C . 17233 1 543 . 1 1 46 46 ALA CA C 13 52.321 0.1 . 1 . . . . 193 ALA CA . 17233 1 544 . 1 1 46 46 ALA CB C 13 24.822 0.1 . 1 . . . . 193 ALA CB . 17233 1 545 . 1 1 46 46 ALA N N 15 116.369 0.1 . 1 . . . . 193 ALA N . 17233 1 546 . 1 1 47 47 ASP H H 1 8.204 0.004 . 1 . . . . 194 ASP H . 17233 1 547 . 1 1 47 47 ASP HA H 1 5.571 0.002 . 1 . . . . 194 ASP HA . 17233 1 548 . 1 1 47 47 ASP HB2 H 1 2.535 0.02 . 2 . . . . 194 ASP HB2 . 17233 1 549 . 1 1 47 47 ASP HB3 H 1 2.535 0.02 . 2 . . . . 194 ASP HB3 . 17233 1 550 . 1 1 47 47 ASP C C 13 174.770 0.1 . 1 . . . . 194 ASP C . 17233 1 551 . 1 1 47 47 ASP CA C 13 53.426 0.1 . 1 . . . . 194 ASP CA . 17233 1 552 . 1 1 47 47 ASP CB C 13 42.514 0.1 . 1 . . . . 194 ASP CB . 17233 1 553 . 1 1 47 47 ASP N N 15 119.224 0.1 . 1 . . . . 194 ASP N . 17233 1 554 . 1 1 48 48 PHE H H 1 10.237 0.004 . 1 . . . . 195 PHE H . 17233 1 555 . 1 1 48 48 PHE HA H 1 5.062 0.004 . 1 . . . . 195 PHE HA . 17233 1 556 . 1 1 48 48 PHE HB2 H 1 3.182 0.02 . 2 . . . . 195 PHE HB2 . 17233 1 557 . 1 1 48 48 PHE HB3 H 1 2.566 0.003 . 2 . . . . 195 PHE HB3 . 17233 1 558 . 1 1 48 48 PHE HD1 H 1 7.208 0.009 . 1 . . . . 195 PHE HD1 . 17233 1 559 . 1 1 48 48 PHE HD2 H 1 7.208 0.009 . 1 . . . . 195 PHE HD2 . 17233 1 560 . 1 1 48 48 PHE HE1 H 1 7.095 0.006 . 1 . . . . 195 PHE HE1 . 17233 1 561 . 1 1 48 48 PHE HE2 H 1 7.095 0.006 . 1 . . . . 195 PHE HE2 . 17233 1 562 . 1 1 48 48 PHE HZ H 1 6.666 0.009 . 1 . . . . 195 PHE HZ . 17233 1 563 . 1 1 48 48 PHE C C 13 174.152 0.1 . 1 . . . . 195 PHE C . 17233 1 564 . 1 1 48 48 PHE CA C 13 56.380 0.1 . 1 . . . . 195 PHE CA . 17233 1 565 . 1 1 48 48 PHE CB C 13 39.557 0.1 . 1 . . . . 195 PHE CB . 17233 1 566 . 1 1 48 48 PHE CD1 C 13 132.050 0.1 . 1 . . . . 195 PHE CD1 . 17233 1 567 . 1 1 48 48 PHE CE1 C 13 130.755 0.1 . 1 . . . . 195 PHE CE1 . 17233 1 568 . 1 1 48 48 PHE CZ C 13 129.978 0.1 . 1 . . . . 195 PHE CZ . 17233 1 569 . 1 1 48 48 PHE N N 15 122.984 0.1 . 1 . . . . 195 PHE N . 17233 1 570 . 1 1 49 49 ILE H H 1 8.853 0.006 . 1 . . . . 196 ILE H . 17233 1 571 . 1 1 49 49 ILE HA H 1 4.317 0.001 . 1 . . . . 196 ILE HA . 17233 1 572 . 1 1 49 49 ILE HB H 1 0.705 0.002 . 1 . . . . 196 ILE HB . 17233 1 573 . 1 1 49 49 ILE HD11 H 1 0.569 0.006 . 1 . . . . 196 ILE HD11 . 17233 1 574 . 1 1 49 49 ILE HD12 H 1 0.569 0.006 . 1 . . . . 196 ILE HD12 . 17233 1 575 . 1 1 49 49 ILE HD13 H 1 0.569 0.006 . 1 . . . . 196 ILE HD13 . 17233 1 576 . 1 1 49 49 ILE HG12 H 1 1.198 0.02 . 2 . . . . 196 ILE HG12 . 17233 1 577 . 1 1 49 49 ILE HG13 H 1 1.114 0.02 . 2 . . . . 196 ILE HG13 . 17233 1 578 . 1 1 49 49 ILE HG21 H 1 0.718 0.005 . 1 . . . . 196 ILE HG21 . 17233 1 579 . 1 1 49 49 ILE HG22 H 1 0.718 0.005 . 1 . . . . 196 ILE HG22 . 17233 1 580 . 1 1 49 49 ILE HG23 H 1 0.718 0.005 . 1 . . . . 196 ILE HG23 . 17233 1 581 . 1 1 49 49 ILE C C 13 176.335 0.1 . 1 . . . . 196 ILE C . 17233 1 582 . 1 1 49 49 ILE CA C 13 61.187 0.1 . 1 . . . . 196 ILE CA . 17233 1 583 . 1 1 49 49 ILE CB C 13 38.881 0.1 . 1 . . . . 196 ILE CB . 17233 1 584 . 1 1 49 49 ILE CD1 C 13 13.405 0.1 . 1 . . . . 196 ILE CD1 . 17233 1 585 . 1 1 49 49 ILE CG1 C 13 30.049 0.1 . 1 . . . . 196 ILE CG1 . 17233 1 586 . 1 1 49 49 ILE CG2 C 13 19.579 0.1 . 1 . . . . 196 ILE CG2 . 17233 1 587 . 1 1 49 49 ILE N N 15 126.486 0.1 . 1 . . . . 196 ILE N . 17233 1 588 . 1 1 50 50 LEU H H 1 8.637 0.007 . 1 . . . . 197 LEU H . 17233 1 589 . 1 1 50 50 LEU HA H 1 4.751 0.006 . 1 . . . . 197 LEU HA . 17233 1 590 . 1 1 50 50 LEU HB2 H 1 2.260 0.02 . 2 . . . . 197 LEU HB2 . 17233 1 591 . 1 1 50 50 LEU HB3 H 1 1.186 0.006 . 2 . . . . 197 LEU HB3 . 17233 1 592 . 1 1 50 50 LEU HD11 H 1 1.023 0.014 . 2 . . . . 197 LEU HD11 . 17233 1 593 . 1 1 50 50 LEU HD12 H 1 1.023 0.014 . 2 . . . . 197 LEU HD12 . 17233 1 594 . 1 1 50 50 LEU HD13 H 1 1.023 0.014 . 2 . . . . 197 LEU HD13 . 17233 1 595 . 1 1 50 50 LEU HD21 H 1 0.837 0.010 . 2 . . . . 197 LEU HD21 . 17233 1 596 . 1 1 50 50 LEU HD22 H 1 0.837 0.010 . 2 . . . . 197 LEU HD22 . 17233 1 597 . 1 1 50 50 LEU HD23 H 1 0.837 0.010 . 2 . . . . 197 LEU HD23 . 17233 1 598 . 1 1 50 50 LEU HG H 1 1.686 0.02 . 1 . . . . 197 LEU HG . 17233 1 599 . 1 1 50 50 LEU C C 13 175.852 0.1 . 1 . . . . 197 LEU C . 17233 1 600 . 1 1 50 50 LEU CA C 13 54.414 0.1 . 1 . . . . 197 LEU CA . 17233 1 601 . 1 1 50 50 LEU CB C 13 44.764 0.1 . 1 . . . . 197 LEU CB . 17233 1 602 . 1 1 50 50 LEU CD1 C 13 29.538 0.1 . 1 . . . . 197 LEU CD1 . 17233 1 603 . 1 1 50 50 LEU CD2 C 13 22.771 0.1 . 1 . . . . 197 LEU CD2 . 17233 1 604 . 1 1 50 50 LEU CG C 13 27.623 0.1 . 1 . . . . 197 LEU CG . 17233 1 605 . 1 1 50 50 LEU N N 15 129.924 0.1 . 1 . . . . 197 LEU N . 17233 1 606 . 1 1 51 51 GLN H H 1 8.852 0.007 . 1 . . . . 198 GLN H . 17233 1 607 . 1 1 51 51 GLN HA H 1 4.613 0.003 . 1 . . . . 198 GLN HA . 17233 1 608 . 1 1 51 51 GLN HB2 H 1 2.597 0.003 . 2 . . . . 198 GLN HB2 . 17233 1 609 . 1 1 51 51 GLN HB3 H 1 2.280 0.005 . 2 . . . . 198 GLN HB3 . 17233 1 610 . 1 1 51 51 GLN HE21 H 1 8.263 0.003 . 2 . . . . 198 GLN HE21 . 17233 1 611 . 1 1 51 51 GLN HE22 H 1 6.621 0.005 . 2 . . . . 198 GLN HE22 . 17233 1 612 . 1 1 51 51 GLN HG2 H 1 2.587 0.011 . 2 . . . . 198 GLN HG2 . 17233 1 613 . 1 1 51 51 GLN HG3 H 1 2.243 0.02 . 2 . . . . 198 GLN HG3 . 17233 1 614 . 1 1 51 51 GLN C C 13 179.563 0.1 . 1 . . . . 198 GLN C . 17233 1 615 . 1 1 51 51 GLN CA C 13 55.453 0.058 . 1 . . . . 198 GLN CA . 17233 1 616 . 1 1 51 51 GLN CB C 13 31.591 0.1 . 1 . . . . 198 GLN CB . 17233 1 617 . 1 1 51 51 GLN CG C 13 34.102 0.011 . 1 . . . . 198 GLN CG . 17233 1 618 . 1 1 51 51 GLN N N 15 124.411 0.1 . 1 . . . . 198 GLN N . 17233 1 619 . 1 1 51 51 GLN NE2 N 15 112.863 0.1 . 1 . . . . 198 GLN NE2 . 17233 1 620 . 1 1 52 52 SER H H 1 9.302 0.006 . 1 . . . . 199 SER H . 17233 1 621 . 1 1 52 52 SER HA H 1 3.990 0.003 . 1 . . . . 199 SER HA . 17233 1 622 . 1 1 52 52 SER HB2 H 1 3.855 0.02 . 2 . . . . 199 SER HB2 . 17233 1 623 . 1 1 52 52 SER C C 13 179.312 0.1 . 1 . . . . 199 SER C . 17233 1 624 . 1 1 52 52 SER CA C 13 61.433 0.1 . 1 . . . . 199 SER CA . 17233 1 625 . 1 1 52 52 SER CB C 13 63.373 0.1 . 1 . . . . 199 SER CB . 17233 1 626 . 1 1 52 52 SER N N 15 118.922 0.1 . 1 . . . . 199 SER N . 17233 1 627 . 1 1 53 53 ASP H H 1 7.585 0.005 . 1 . . . . 200 ASP H . 17233 1 628 . 1 1 53 53 ASP HA H 1 4.463 0.023 . 1 . . . . 200 ASP HA . 17233 1 629 . 1 1 53 53 ASP HB2 H 1 3.013 0.012 . 2 . . . . 200 ASP HB2 . 17233 1 630 . 1 1 53 53 ASP HB3 H 1 2.537 0.02 . 2 . . . . 200 ASP HB3 . 17233 1 631 . 1 1 53 53 ASP C C 13 176.954 0.1 . 1 . . . . 200 ASP C . 17233 1 632 . 1 1 53 53 ASP CA C 13 53.506 0.1 . 1 . . . . 200 ASP CA . 17233 1 633 . 1 1 53 53 ASP CB C 13 40.188 0.103 . 1 . . . . 200 ASP CB . 17233 1 634 . 1 1 53 53 ASP N N 15 117.816 0.008 . 1 . . . . 200 ASP N . 17233 1 635 . 1 1 54 54 GLY H H 1 7.739 0.011 . 1 . . . . 201 GLY H . 17233 1 636 . 1 1 54 54 GLY HA2 H 1 4.193 0.004 . 2 . . . . 201 GLY HA2 . 17233 1 637 . 1 1 54 54 GLY HA3 H 1 3.694 0.003 . 2 . . . . 201 GLY HA3 . 17233 1 638 . 1 1 54 54 GLY C C 13 173.359 0.1 . 1 . . . . 201 GLY C . 17233 1 639 . 1 1 54 54 GLY CA C 13 46.187 0.1 . 1 . . . . 201 GLY CA . 17233 1 640 . 1 1 54 54 GLY N N 15 106.723 0.062 . 1 . . . . 201 GLY N . 17233 1 641 . 1 1 55 55 LEU H H 1 7.687 0.006 . 1 . . . . 202 LEU H . 17233 1 642 . 1 1 55 55 LEU HA H 1 4.553 0.02 . 1 . . . . 202 LEU HA . 17233 1 643 . 1 1 55 55 LEU HB2 H 1 1.758 0.001 . 2 . . . . 202 LEU HB2 . 17233 1 644 . 1 1 55 55 LEU HB3 H 1 1.243 0.02 . 2 . . . . 202 LEU HB3 . 17233 1 645 . 1 1 55 55 LEU HD11 H 1 0.668 0.002 . 2 . . . . 202 LEU HD11 . 17233 1 646 . 1 1 55 55 LEU HD12 H 1 0.668 0.002 . 2 . . . . 202 LEU HD12 . 17233 1 647 . 1 1 55 55 LEU HD13 H 1 0.668 0.002 . 2 . . . . 202 LEU HD13 . 17233 1 648 . 1 1 55 55 LEU HD21 H 1 0.672 0.002 . 2 . . . . 202 LEU HD21 . 17233 1 649 . 1 1 55 55 LEU HD22 H 1 0.672 0.002 . 2 . . . . 202 LEU HD22 . 17233 1 650 . 1 1 55 55 LEU HD23 H 1 0.672 0.002 . 2 . . . . 202 LEU HD23 . 17233 1 651 . 1 1 55 55 LEU HG H 1 1.335 0.006 . 1 . . . . 202 LEU HG . 17233 1 652 . 1 1 55 55 LEU C C 13 174.770 0.1 . 1 . . . . 202 LEU C . 17233 1 653 . 1 1 55 55 LEU CA C 13 54.026 0.1 . 1 . . . . 202 LEU CA . 17233 1 654 . 1 1 55 55 LEU CB C 13 43.000 0.1 . 1 . . . . 202 LEU CB . 17233 1 655 . 1 1 55 55 LEU CD1 C 13 25.835 0.1 . 1 . . . . 202 LEU CD1 . 17233 1 656 . 1 1 55 55 LEU CD2 C 13 22.516 0.1 . 1 . . . . 202 LEU CD2 . 17233 1 657 . 1 1 55 55 LEU CG C 13 27.948 0.1 . 1 . . . . 202 LEU CG . 17233 1 658 . 1 1 55 55 LEU N N 15 118.389 0.1 . 1 . . . . 202 LEU N . 17233 1 659 . 1 1 56 56 THR H H 1 8.359 0.003 . 1 . . . . 203 THR H . 17233 1 660 . 1 1 56 56 THR HA H 1 5.727 0.008 . 1 . . . . 203 THR HA . 17233 1 661 . 1 1 56 56 THR HB H 1 3.489 0.002 . 1 . . . . 203 THR HB . 17233 1 662 . 1 1 56 56 THR HG1 H 1 2.758 0.02 . 1 . . . . 203 THR HG1 . 17233 1 663 . 1 1 56 56 THR HG21 H 1 0.511 0.006 . 1 . . . . 203 THR HG21 . 17233 1 664 . 1 1 56 56 THR HG22 H 1 0.511 0.006 . 1 . . . . 203 THR HG22 . 17233 1 665 . 1 1 56 56 THR HG23 H 1 0.511 0.006 . 1 . . . . 203 THR HG23 . 17233 1 666 . 1 1 56 56 THR C C 13 170.345 0.1 . 1 . . . . 203 THR C . 17233 1 667 . 1 1 56 56 THR CA C 13 58.011 0.1 . 1 . . . . 203 THR CA . 17233 1 668 . 1 1 56 56 THR CB C 13 71.971 0.1 . 1 . . . . 203 THR CB . 17233 1 669 . 1 1 56 56 THR CG2 C 13 19.555 0.1 . 1 . . . . 203 THR CG2 . 17233 1 670 . 1 1 56 56 THR N N 15 113.636 0.1 . 1 . . . . 203 THR N . 17233 1 671 . 1 1 57 57 TYR H H 1 7.663 0.002 . 1 . . . . 204 TYR H . 17233 1 672 . 1 1 57 57 TYR HA H 1 4.635 0.007 . 1 . . . . 204 TYR HA . 17233 1 673 . 1 1 57 57 TYR HB2 H 1 2.996 0.012 . 2 . . . . 204 TYR HB2 . 17233 1 674 . 1 1 57 57 TYR HB3 H 1 2.096 0.009 . 2 . . . . 204 TYR HB3 . 17233 1 675 . 1 1 57 57 TYR HD1 H 1 6.794 0.006 . 1 . . . . 204 TYR HD1 . 17233 1 676 . 1 1 57 57 TYR HD2 H 1 6.794 0.006 . 1 . . . . 204 TYR HD2 . 17233 1 677 . 1 1 57 57 TYR HE1 H 1 6.645 0.007 . 1 . . . . 204 TYR HE1 . 17233 1 678 . 1 1 57 57 TYR HE2 H 1 6.645 0.007 . 1 . . . . 204 TYR HE2 . 17233 1 679 . 1 1 57 57 TYR C C 13 172.432 0.1 . 1 . . . . 204 TYR C . 17233 1 680 . 1 1 57 57 TYR CA C 13 55.352 0.1 . 1 . . . . 204 TYR CA . 17233 1 681 . 1 1 57 57 TYR CB C 13 41.855 0.102 . 1 . . . . 204 TYR CB . 17233 1 682 . 1 1 57 57 TYR CD1 C 13 133.862 0.1 . 1 . . . . 204 TYR CD1 . 17233 1 683 . 1 1 57 57 TYR CE1 C 13 118.066 0.1 . 1 . . . . 204 TYR CE1 . 17233 1 684 . 1 1 57 57 TYR N N 15 120.445 0.1 . 1 . . . . 204 TYR N . 17233 1 685 . 1 1 58 58 PHE H H 1 8.350 0.001 . 1 . . . . 205 PHE H . 17233 1 686 . 1 1 58 58 PHE HA H 1 5.843 0.004 . 1 . . . . 205 PHE HA . 17233 1 687 . 1 1 58 58 PHE HB2 H 1 2.084 0.003 . 2 . . . . 205 PHE HB2 . 17233 1 688 . 1 1 58 58 PHE HB3 H 1 1.157 0.02 . 2 . . . . 205 PHE HB3 . 17233 1 689 . 1 1 58 58 PHE HD1 H 1 7.067 0.02 . 1 . . . . 205 PHE HD1 . 17233 1 690 . 1 1 58 58 PHE HD2 H 1 7.067 0.02 . 1 . . . . 205 PHE HD2 . 17233 1 691 . 1 1 58 58 PHE HE1 H 1 7.157 0.02 . 1 . . . . 205 PHE HE1 . 17233 1 692 . 1 1 58 58 PHE HE2 H 1 7.157 0.02 . 1 . . . . 205 PHE HE2 . 17233 1 693 . 1 1 58 58 PHE HZ H 1 7.072 0.02 . 1 . . . . 205 PHE HZ . 17233 1 694 . 1 1 58 58 PHE C C 13 173.456 0.1 . 1 . . . . 205 PHE C . 17233 1 695 . 1 1 58 58 PHE CA C 13 54.673 0.1 . 1 . . . . 205 PHE CA . 17233 1 696 . 1 1 58 58 PHE CB C 13 42.054 0.085 . 1 . . . . 205 PHE CB . 17233 1 697 . 1 1 58 58 PHE CD1 C 13 132.826 0.1 . 1 . . . . 205 PHE CD1 . 17233 1 698 . 1 1 58 58 PHE CE1 C 13 130.237 0.1 . 1 . . . . 205 PHE CE1 . 17233 1 699 . 1 1 58 58 PHE CZ C 13 128.165 0.1 . 1 . . . . 205 PHE CZ . 17233 1 700 . 1 1 58 58 PHE N N 15 115.239 0.1 . 1 . . . . 205 PHE N . 17233 1 701 . 1 1 59 59 ILE H H 1 8.765 0.002 . 1 . . . . 206 ILE H . 17233 1 702 . 1 1 59 59 ILE HA H 1 5.292 0.001 . 1 . . . . 206 ILE HA . 17233 1 703 . 1 1 59 59 ILE HB H 1 1.744 0.015 . 1 . . . . 206 ILE HB . 17233 1 704 . 1 1 59 59 ILE HD11 H 1 1.011 0.02 . 1 . . . . 206 ILE HD11 . 17233 1 705 . 1 1 59 59 ILE HD12 H 1 1.011 0.02 . 1 . . . . 206 ILE HD12 . 17233 1 706 . 1 1 59 59 ILE HD13 H 1 1.011 0.02 . 1 . . . . 206 ILE HD13 . 17233 1 707 . 1 1 59 59 ILE HG12 H 1 1.013 0.003 . 2 . . . . 206 ILE HG12 . 17233 1 708 . 1 1 59 59 ILE HG13 H 1 1.694 0.002 . 2 . . . . 206 ILE HG13 . 17233 1 709 . 1 1 59 59 ILE HG21 H 1 1.013 0.002 . 1 . . . . 206 ILE HG21 . 17233 1 710 . 1 1 59 59 ILE HG22 H 1 1.013 0.002 . 1 . . . . 206 ILE HG22 . 17233 1 711 . 1 1 59 59 ILE HG23 H 1 1.013 0.002 . 1 . . . . 206 ILE HG23 . 17233 1 712 . 1 1 59 59 ILE C C 13 178.345 0.1 . 1 . . . . 206 ILE C . 17233 1 713 . 1 1 59 59 ILE CA C 13 60.606 0.1 . 1 . . . . 206 ILE CA . 17233 1 714 . 1 1 59 59 ILE CB C 13 41.526 0.148 . 1 . . . . 206 ILE CB . 17233 1 715 . 1 1 59 59 ILE CD1 C 13 14.700 0.1 . 1 . . . . 206 ILE CD1 . 17233 1 716 . 1 1 59 59 ILE CG1 C 13 28.595 0.1 . 1 . . . . 206 ILE CG1 . 17233 1 717 . 1 1 59 59 ILE CG2 C 13 18.241 0.1 . 1 . . . . 206 ILE CG2 . 17233 1 718 . 1 1 59 59 ILE N N 15 118.688 0.1 . 1 . . . . 206 ILE N . 17233 1 719 . 1 1 60 60 SER H H 1 9.906 0.004 . 1 . . . . 207 SER H . 17233 1 720 . 1 1 60 60 SER HB2 H 1 4.415 0.012 . 2 . . . . 207 SER HB2 . 17233 1 721 . 1 1 60 60 SER HB3 H 1 3.892 0.002 . 2 . . . . 207 SER HB3 . 17233 1 722 . 1 1 60 60 SER HG H 1 7.011 0.02 . 1 . . . . 207 SER HG . 17233 1 723 . 1 1 60 60 SER C C 13 173.688 0.1 . 1 . . . . 207 SER C . 17233 1 724 . 1 1 60 60 SER CB C 13 65.150 0.1 . 1 . . . . 207 SER CB . 17233 1 725 . 1 1 60 60 SER N N 15 125.811 0.1 . 1 . . . . 207 SER N . 17233 1 726 . 1 1 61 61 LYS HA H 1 4.879 0.02 . 1 . . . . 208 LYS HA . 17233 1 727 . 1 1 61 61 LYS HB2 H 1 2.420 0.02 . 2 . . . . 208 LYS HB2 . 17233 1 728 . 1 1 61 61 LYS HB3 H 1 2.187 0.008 . 2 . . . . 208 LYS HB3 . 17233 1 729 . 1 1 61 61 LYS HD2 H 1 1.848 0.02 . 2 . . . . 208 LYS HD2 . 17233 1 730 . 1 1 61 61 LYS HD3 H 1 1.848 0.02 . 2 . . . . 208 LYS HD3 . 17233 1 731 . 1 1 61 61 LYS HE2 H 1 3.614 0.02 . 2 . . . . 208 LYS HE2 . 17233 1 732 . 1 1 61 61 LYS HE3 H 1 3.543 0.02 . 2 . . . . 208 LYS HE3 . 17233 1 733 . 1 1 61 61 LYS HG2 H 1 1.982 0.02 . 2 . . . . 208 LYS HG2 . 17233 1 734 . 1 1 61 61 LYS HG3 H 1 1.845 0.002 . 2 . . . . 208 LYS HG3 . 17233 1 735 . 1 1 61 61 LYS CA C 13 63.231 0.1 . 1 . . . . 208 LYS CA . 17233 1 736 . 1 1 61 61 LYS CB C 13 34.746 0.1 . 1 . . . . 208 LYS CB . 17233 1 737 . 1 1 61 61 LYS CE C 13 50.283 0.1 . 1 . . . . 208 LYS CE . 17233 1 738 . 1 1 61 61 LYS CG C 13 25.035 0.1 . 1 . . . . 208 LYS CG . 17233 1 739 . 1 1 62 62 PRO HA H 1 4.265 0.005 . 1 . . . . 209 PRO HA . 17233 1 740 . 1 1 62 62 PRO HB2 H 1 2.574 0.02 . 2 . . . . 209 PRO HB2 . 17233 1 741 . 1 1 62 62 PRO HB3 H 1 1.885 0.006 . 2 . . . . 209 PRO HB3 . 17233 1 742 . 1 1 62 62 PRO HD2 H 1 3.802 0.02 . 2 . . . . 209 PRO HD2 . 17233 1 743 . 1 1 62 62 PRO HD3 H 1 3.660 0.02 . 2 . . . . 209 PRO HD3 . 17233 1 744 . 1 1 62 62 PRO HG2 H 1 2.208 0.02 . 2 . . . . 209 PRO HG2 . 17233 1 745 . 1 1 62 62 PRO HG3 H 1 1.882 0.02 . 2 . . . . 209 PRO HG3 . 17233 1 746 . 1 1 62 62 PRO CA C 13 65.150 0.1 . 1 . . . . 209 PRO CA . 17233 1 747 . 1 1 62 62 PRO CB C 13 32.821 0.071 . 1 . . . . 209 PRO CB . 17233 1 748 . 1 1 62 62 PRO CD C 13 50.607 0.1 . 1 . . . . 209 PRO CD . 17233 1 749 . 1 1 62 62 PRO CG C 13 27.948 0.1 . 1 . . . . 209 PRO CG . 17233 1 750 . 1 1 63 63 THR H H 1 7.335 0.02 . 1 . . . . 210 THR H . 17233 1 751 . 1 1 63 63 THR HA H 1 4.932 0.02 . 1 . . . . 210 THR HA . 17233 1 752 . 1 1 63 63 THR HB H 1 4.157 0.02 . 1 . . . . 210 THR HB . 17233 1 753 . 1 1 63 63 THR HG1 H 1 5.570 0.02 . 1 . . . . 210 THR HG1 . 17233 1 754 . 1 1 63 63 THR HG21 H 1 1.464 0.02 . 1 . . . . 210 THR HG21 . 17233 1 755 . 1 1 63 63 THR HG22 H 1 1.464 0.02 . 1 . . . . 210 THR HG22 . 17233 1 756 . 1 1 63 63 THR HG23 H 1 1.464 0.02 . 1 . . . . 210 THR HG23 . 17233 1 757 . 1 1 63 63 THR C C 13 174.538 0.1 . 1 . . . . 210 THR C . 17233 1 758 . 1 1 63 63 THR CA C 13 60.796 0.1 . 1 . . . . 210 THR CA . 17233 1 759 . 1 1 63 63 THR CB C 13 70.653 0.1 . 1 . . . . 210 THR CB . 17233 1 760 . 1 1 63 63 THR CG2 C 13 18.657 0.104 . 1 . . . . 210 THR CG2 . 17233 1 761 . 1 1 64 64 SER H H 1 8.232 0.002 . 1 . . . . 211 SER H . 17233 1 762 . 1 1 64 64 SER HA H 1 4.685 0.02 . 1 . . . . 211 SER HA . 17233 1 763 . 1 1 64 64 SER HB2 H 1 4.403 0.004 . 2 . . . . 211 SER HB2 . 17233 1 764 . 1 1 64 64 SER HB3 H 1 4.151 0.012 . 2 . . . . 211 SER HB3 . 17233 1 765 . 1 1 64 64 SER HG H 1 5.574 0.02 . 1 . . . . 211 SER HG . 17233 1 766 . 1 1 64 64 SER C C 13 175.195 0.1 . 1 . . . . 211 SER C . 17233 1 767 . 1 1 64 64 SER CA C 13 58.376 0.1 . 1 . . . . 211 SER CA . 17233 1 768 . 1 1 64 64 SER CB C 13 66.145 0.1 . 1 . . . . 211 SER CB . 17233 1 769 . 1 1 64 64 SER N N 15 117.539 0.1 . 1 . . . . 211 SER N . 17233 1 770 . 1 1 65 65 ASP H H 1 8.960 0.006 . 1 . . . . 212 ASP H . 17233 1 771 . 1 1 65 65 ASP HA H 1 4.245 0.015 . 1 . . . . 212 ASP HA . 17233 1 772 . 1 1 65 65 ASP HB2 H 1 2.695 0.006 . 2 . . . . 212 ASP HB2 . 17233 1 773 . 1 1 65 65 ASP HB3 H 1 2.695 0.006 . 2 . . . . 212 ASP HB3 . 17233 1 774 . 1 1 65 65 ASP C C 13 178.906 0.1 . 1 . . . . 212 ASP C . 17233 1 775 . 1 1 65 65 ASP CA C 13 58.366 0.1 . 1 . . . . 212 ASP CA . 17233 1 776 . 1 1 65 65 ASP CB C 13 40.555 0.1 . 1 . . . . 212 ASP CB . 17233 1 777 . 1 1 65 65 ASP N N 15 121.261 0.1 . 1 . . . . 212 ASP N . 17233 1 778 . 1 1 66 66 ALA H H 1 8.561 0.004 . 1 . . . . 213 ALA H . 17233 1 779 . 1 1 66 66 ALA HA H 1 4.134 0.02 . 1 . . . . 213 ALA HA . 17233 1 780 . 1 1 66 66 ALA HB1 H 1 1.455 0.002 . 1 . . . . 213 ALA HB1 . 17233 1 781 . 1 1 66 66 ALA HB2 H 1 1.455 0.002 . 1 . . . . 213 ALA HB2 . 17233 1 782 . 1 1 66 66 ALA HB3 H 1 1.455 0.002 . 1 . . . . 213 ALA HB3 . 17233 1 783 . 1 1 66 66 ALA C C 13 181.573 0.1 . 1 . . . . 213 ALA C . 17233 1 784 . 1 1 66 66 ALA CA C 13 55.664 0.1 . 1 . . . . 213 ALA CA . 17233 1 785 . 1 1 66 66 ALA CB C 13 18.773 0.077 . 1 . . . . 213 ALA CB . 17233 1 786 . 1 1 66 66 ALA N N 15 121.398 0.1 . 1 . . . . 213 ALA N . 17233 1 787 . 1 1 67 67 GLN H H 1 7.594 0.006 . 1 . . . . 214 GLN H . 17233 1 788 . 1 1 67 67 GLN HA H 1 3.916 0.006 . 1 . . . . 214 GLN HA . 17233 1 789 . 1 1 67 67 GLN HB2 H 1 2.425 0.011 . 2 . . . . 214 GLN HB2 . 17233 1 790 . 1 1 67 67 GLN HB3 H 1 2.425 0.011 . 2 . . . . 214 GLN HB3 . 17233 1 791 . 1 1 67 67 GLN HE21 H 1 6.883 0.006 . 2 . . . . 214 GLN HE21 . 17233 1 792 . 1 1 67 67 GLN HE22 H 1 8.592 0.02 . 2 . . . . 214 GLN HE22 . 17233 1 793 . 1 1 67 67 GLN HG2 H 1 2.688 0.001 . 2 . . . . 214 GLN HG2 . 17233 1 794 . 1 1 67 67 GLN HG3 H 1 2.084 0.02 . 2 . . . . 214 GLN HG3 . 17233 1 795 . 1 1 67 67 GLN C C 13 176.606 0.1 . 1 . . . . 214 GLN C . 17233 1 796 . 1 1 67 67 GLN CA C 13 59.865 0.1 . 1 . . . . 214 GLN CA . 17233 1 797 . 1 1 67 67 GLN CB C 13 30.275 0.1 . 1 . . . . 214 GLN CB . 17233 1 798 . 1 1 67 67 GLN CG C 13 36.040 0.1 . 1 . . . . 214 GLN CG . 17233 1 799 . 1 1 67 67 GLN N N 15 120.260 0.1 . 1 . . . . 214 GLN N . 17233 1 800 . 1 1 67 67 GLN NE2 N 15 116.301 0.1 . 1 . . . . 214 GLN NE2 . 17233 1 801 . 1 1 68 68 LEU H H 1 8.350 0.008 . 1 . . . . 215 LEU H . 17233 1 802 . 1 1 68 68 LEU HA H 1 3.709 0.003 . 1 . . . . 215 LEU HA . 17233 1 803 . 1 1 68 68 LEU HB2 H 1 1.884 0.02 . 2 . . . . 215 LEU HB2 . 17233 1 804 . 1 1 68 68 LEU HB3 H 1 1.473 0.005 . 2 . . . . 215 LEU HB3 . 17233 1 805 . 1 1 68 68 LEU HD11 H 1 0.776 0.007 . 2 . . . . 215 LEU HD11 . 17233 1 806 . 1 1 68 68 LEU HD12 H 1 0.776 0.007 . 2 . . . . 215 LEU HD12 . 17233 1 807 . 1 1 68 68 LEU HD13 H 1 0.776 0.007 . 2 . . . . 215 LEU HD13 . 17233 1 808 . 1 1 68 68 LEU HD21 H 1 0.685 0.004 . 2 . . . . 215 LEU HD21 . 17233 1 809 . 1 1 68 68 LEU HD22 H 1 0.685 0.004 . 2 . . . . 215 LEU HD22 . 17233 1 810 . 1 1 68 68 LEU HD23 H 1 0.685 0.004 . 2 . . . . 215 LEU HD23 . 17233 1 811 . 1 1 68 68 LEU HG H 1 1.451 0.02 . 1 . . . . 215 LEU HG . 17233 1 812 . 1 1 68 68 LEU C C 13 178.770 0.1 . 1 . . . . 215 LEU C . 17233 1 813 . 1 1 68 68 LEU CA C 13 58.675 0.1 . 1 . . . . 215 LEU CA . 17233 1 814 . 1 1 68 68 LEU CB C 13 42.561 0.1 . 1 . . . . 215 LEU CB . 17233 1 815 . 1 1 68 68 LEU CD1 C 13 25.963 0.1 . 1 . . . . 215 LEU CD1 . 17233 1 816 . 1 1 68 68 LEU CD2 C 13 24.942 0.1 . 1 . . . . 215 LEU CD2 . 17233 1 817 . 1 1 68 68 LEU CG C 13 26.653 0.1 . 1 . . . . 215 LEU CG . 17233 1 818 . 1 1 68 68 LEU N N 15 119.645 0.1 . 1 . . . . 215 LEU N . 17233 1 819 . 1 1 69 69 LYS H H 1 8.119 0.003 . 1 . . . . 216 LYS H . 17233 1 820 . 1 1 69 69 LYS HA H 1 3.803 0.003 . 1 . . . . 216 LYS HA . 17233 1 821 . 1 1 69 69 LYS HB2 H 1 1.903 0.002 . 2 . . . . 216 LYS HB2 . 17233 1 822 . 1 1 69 69 LYS HB3 H 1 1.903 0.002 . 2 . . . . 216 LYS HB3 . 17233 1 823 . 1 1 69 69 LYS HD2 H 1 1.665 0.001 . 2 . . . . 216 LYS HD2 . 17233 1 824 . 1 1 69 69 LYS HD3 H 1 1.665 0.001 . 2 . . . . 216 LYS HD3 . 17233 1 825 . 1 1 69 69 LYS HE2 H 1 3.017 0.02 . 2 . . . . 216 LYS HE2 . 17233 1 826 . 1 1 69 69 LYS HE3 H 1 3.017 0.02 . 2 . . . . 216 LYS HE3 . 17233 1 827 . 1 1 69 69 LYS HG2 H 1 1.483 0.006 . 2 . . . . 216 LYS HG2 . 17233 1 828 . 1 1 69 69 LYS HG3 H 1 1.359 0.009 . 2 . . . . 216 LYS HG3 . 17233 1 829 . 1 1 69 69 LYS C C 13 178.539 0.1 . 1 . . . . 216 LYS C . 17233 1 830 . 1 1 69 69 LYS CA C 13 60.128 0.1 . 1 . . . . 216 LYS CA . 17233 1 831 . 1 1 69 69 LYS CB C 13 33.012 0.132 . 1 . . . . 216 LYS CB . 17233 1 832 . 1 1 69 69 LYS CD C 13 30.177 0.1 . 1 . . . . 216 LYS CD . 17233 1 833 . 1 1 69 69 LYS CE C 13 42.307 0.1 . 1 . . . . 216 LYS CE . 17233 1 834 . 1 1 69 69 LYS CG C 13 25.069 0.1 . 1 . . . . 216 LYS CG . 17233 1 835 . 1 1 69 69 LYS N N 15 117.540 0.1 . 1 . . . . 216 LYS N . 17233 1 836 . 1 1 70 70 ALA H H 1 7.341 0.02 . 1 . . . . 217 ALA H . 17233 1 837 . 1 1 70 70 ALA HA H 1 4.266 0.004 . 1 . . . . 217 ALA HA . 17233 1 838 . 1 1 70 70 ALA HB1 H 1 1.552 0.002 . 1 . . . . 217 ALA HB1 . 17233 1 839 . 1 1 70 70 ALA HB2 H 1 1.552 0.002 . 1 . . . . 217 ALA HB2 . 17233 1 840 . 1 1 70 70 ALA HB3 H 1 1.552 0.002 . 1 . . . . 217 ALA HB3 . 17233 1 841 . 1 1 70 70 ALA C C 13 180.722 0.1 . 1 . . . . 217 ALA C . 17233 1 842 . 1 1 70 70 ALA CA C 13 54.914 0.1 . 1 . . . . 217 ALA CA . 17233 1 843 . 1 1 70 70 ALA CB C 13 19.494 0.1 . 1 . . . . 217 ALA CB . 17233 1 844 . 1 1 70 70 ALA N N 15 120.689 0.1 . 1 . . . . 217 ALA N . 17233 1 845 . 1 1 71 71 MET H H 1 8.430 0.005 . 1 . . . . 218 MET H . 17233 1 846 . 1 1 71 71 MET HA H 1 4.593 0.008 . 1 . . . . 218 MET HA . 17233 1 847 . 1 1 71 71 MET HB2 H 1 1.949 0.02 . 2 . . . . 218 MET HB2 . 17233 1 848 . 1 1 71 71 MET HB3 H 1 1.949 0.02 . 2 . . . . 218 MET HB3 . 17233 1 849 . 1 1 71 71 MET HE1 H 1 1.703 0.02 . 1 . . . . 218 MET HE1 . 17233 1 850 . 1 1 71 71 MET HE2 H 1 1.703 0.02 . 1 . . . . 218 MET HE2 . 17233 1 851 . 1 1 71 71 MET HE3 H 1 1.703 0.02 . 1 . . . . 218 MET HE3 . 17233 1 852 . 1 1 71 71 MET HG2 H 1 2.603 0.008 . 2 . . . . 218 MET HG2 . 17233 1 853 . 1 1 71 71 MET HG3 H 1 2.603 0.008 . 2 . . . . 218 MET HG3 . 17233 1 854 . 1 1 71 71 MET C C 13 178.577 0.1 . 1 . . . . 218 MET C . 17233 1 855 . 1 1 71 71 MET CA C 13 56.419 0.1 . 1 . . . . 218 MET CA . 17233 1 856 . 1 1 71 71 MET CB C 13 30.777 0.1 . 1 . . . . 218 MET CB . 17233 1 857 . 1 1 71 71 MET CE C 13 18.908 0.1 . 1 . . . . 218 MET CE . 17233 1 858 . 1 1 71 71 MET CG C 13 34.118 0.018 . 1 . . . . 218 MET CG . 17233 1 859 . 1 1 71 71 MET N N 15 121.925 0.1 . 1 . . . . 218 MET N . 17233 1 860 . 1 1 72 72 LYS H H 1 8.723 0.006 . 1 . . . . 219 LYS H . 17233 1 861 . 1 1 72 72 LYS HA H 1 3.367 0.005 . 1 . . . . 219 LYS HA . 17233 1 862 . 1 1 72 72 LYS HB2 H 1 1.942 0.02 . 2 . . . . 219 LYS HB2 . 17233 1 863 . 1 1 72 72 LYS HB3 H 1 1.812 0.002 . 2 . . . . 219 LYS HB3 . 17233 1 864 . 1 1 72 72 LYS HD2 H 1 1.738 0.003 . 2 . . . . 219 LYS HD2 . 17233 1 865 . 1 1 72 72 LYS HD3 H 1 1.607 0.02 . 2 . . . . 219 LYS HD3 . 17233 1 866 . 1 1 72 72 LYS HE2 H 1 3.061 0.02 . 2 . . . . 219 LYS HE2 . 17233 1 867 . 1 1 72 72 LYS HE3 H 1 3.061 0.02 . 2 . . . . 219 LYS HE3 . 17233 1 868 . 1 1 72 72 LYS HG2 H 1 1.606 0.007 . 2 . . . . 219 LYS HG2 . 17233 1 869 . 1 1 72 72 LYS HG3 H 1 1.164 0.007 . 2 . . . . 219 LYS HG3 . 17233 1 870 . 1 1 72 72 LYS C C 13 177.746 0.1 . 1 . . . . 219 LYS C . 17233 1 871 . 1 1 72 72 LYS CA C 13 60.986 0.1 . 1 . . . . 219 LYS CA . 17233 1 872 . 1 1 72 72 LYS CB C 13 32.093 0.1 . 1 . . . . 219 LYS CB . 17233 1 873 . 1 1 72 72 LYS CD C 13 30.214 0.1 . 1 . . . . 219 LYS CD . 17233 1 874 . 1 1 72 72 LYS CE C 13 41.668 0.1 . 1 . . . . 219 LYS CE . 17233 1 875 . 1 1 72 72 LYS CG C 13 25.358 0.1 . 1 . . . . 219 LYS CG . 17233 1 876 . 1 1 72 72 LYS N N 15 120.327 0.1 . 1 . . . . 219 LYS N . 17233 1 877 . 1 1 73 73 GLU H H 1 7.664 0.001 . 1 . . . . 220 GLU H . 17233 1 878 . 1 1 73 73 GLU HA H 1 4.014 0.02 . 1 . . . . 220 GLU HA . 17233 1 879 . 1 1 73 73 GLU HB2 H 1 2.211 0.015 . 2 . . . . 220 GLU HB2 . 17233 1 880 . 1 1 73 73 GLU HB3 H 1 2.040 0.02 . 2 . . . . 220 GLU HB3 . 17233 1 881 . 1 1 73 73 GLU HG2 H 1 2.561 0.005 . 2 . . . . 220 GLU HG2 . 17233 1 882 . 1 1 73 73 GLU HG3 H 1 2.275 0.02 . 2 . . . . 220 GLU HG3 . 17233 1 883 . 1 1 73 73 GLU C C 13 179.273 0.1 . 1 . . . . 220 GLU C . 17233 1 884 . 1 1 73 73 GLU CA C 13 60.040 0.1 . 1 . . . . 220 GLU CA . 17233 1 885 . 1 1 73 73 GLU CB C 13 29.335 0.1 . 1 . . . . 220 GLU CB . 17233 1 886 . 1 1 73 73 GLU CG C 13 36.944 0.1 . 1 . . . . 220 GLU CG . 17233 1 887 . 1 1 73 73 GLU N N 15 116.949 0.1 . 1 . . . . 220 GLU N . 17233 1 888 . 1 1 74 74 TYR H H 1 7.474 0.004 . 1 . . . . 221 TYR H . 17233 1 889 . 1 1 74 74 TYR HA H 1 3.973 0.004 . 1 . . . . 221 TYR HA . 17233 1 890 . 1 1 74 74 TYR HB2 H 1 3.459 0.02 . 2 . . . . 221 TYR HB2 . 17233 1 891 . 1 1 74 74 TYR HB3 H 1 3.044 0.017 . 2 . . . . 221 TYR HB3 . 17233 1 892 . 1 1 74 74 TYR HD1 H 1 6.870 0.004 . 1 . . . . 221 TYR HD1 . 17233 1 893 . 1 1 74 74 TYR HD2 H 1 6.870 0.004 . 1 . . . . 221 TYR HD2 . 17233 1 894 . 1 1 74 74 TYR HE1 H 1 6.442 0.02 . 1 . . . . 221 TYR HE1 . 17233 1 895 . 1 1 74 74 TYR HE2 H 1 6.442 0.02 . 1 . . . . 221 TYR HE2 . 17233 1 896 . 1 1 74 74 TYR C C 13 177.611 0.1 . 1 . . . . 221 TYR C . 17233 1 897 . 1 1 74 74 TYR CA C 13 61.916 0.1 . 1 . . . . 221 TYR CA . 17233 1 898 . 1 1 74 74 TYR CB C 13 37.911 0.046 . 1 . . . . 221 TYR CB . 17233 1 899 . 1 1 74 74 TYR CD1 C 13 133.603 0.1 . 1 . . . . 221 TYR CD1 . 17233 1 900 . 1 1 74 74 TYR CE1 C 13 117.548 0.1 . 1 . . . . 221 TYR CE1 . 17233 1 901 . 1 1 74 74 TYR N N 15 120.693 0.1 . 1 . . . . 221 TYR N . 17233 1 902 . 1 1 75 75 LEU H H 1 8.139 0.004 . 1 . . . . 222 LEU H . 17233 1 903 . 1 1 75 75 LEU HA H 1 3.559 0.007 . 1 . . . . 222 LEU HA . 17233 1 904 . 1 1 75 75 LEU HB2 H 1 1.745 0.010 . 2 . . . . 222 LEU HB2 . 17233 1 905 . 1 1 75 75 LEU HB3 H 1 1.383 0.004 . 2 . . . . 222 LEU HB3 . 17233 1 906 . 1 1 75 75 LEU HD11 H 1 1.170 0.009 . 2 . . . . 222 LEU HD11 . 17233 1 907 . 1 1 75 75 LEU HD12 H 1 1.170 0.009 . 2 . . . . 222 LEU HD12 . 17233 1 908 . 1 1 75 75 LEU HD13 H 1 1.170 0.009 . 2 . . . . 222 LEU HD13 . 17233 1 909 . 1 1 75 75 LEU HD21 H 1 0.522 0.007 . 2 . . . . 222 LEU HD21 . 17233 1 910 . 1 1 75 75 LEU HD22 H 1 0.522 0.007 . 2 . . . . 222 LEU HD22 . 17233 1 911 . 1 1 75 75 LEU HD23 H 1 0.522 0.007 . 2 . . . . 222 LEU HD23 . 17233 1 912 . 1 1 75 75 LEU HG H 1 2.042 0.02 . 1 . . . . 222 LEU HG . 17233 1 913 . 1 1 75 75 LEU C C 13 179.679 0.1 . 1 . . . . 222 LEU C . 17233 1 914 . 1 1 75 75 LEU CA C 13 58.058 0.1 . 1 . . . . 222 LEU CA . 17233 1 915 . 1 1 75 75 LEU CB C 13 42.561 0.1 . 1 . . . . 222 LEU CB . 17233 1 916 . 1 1 75 75 LEU CD1 C 13 24.048 0.1 . 1 . . . . 222 LEU CD1 . 17233 1 917 . 1 1 75 75 LEU CD2 C 13 26.984 0.1 . 1 . . . . 222 LEU CD2 . 17233 1 918 . 1 1 75 75 LEU CG C 13 26.977 0.1 . 1 . . . . 222 LEU CG . 17233 1 919 . 1 1 75 75 LEU N N 15 120.330 0.1 . 1 . . . . 222 LEU N . 17233 1 920 . 1 1 76 76 ASP H H 1 9.275 0.006 . 1 . . . . 223 ASP H . 17233 1 921 . 1 1 76 76 ASP HA H 1 4.622 0.007 . 1 . . . . 223 ASP HA . 17233 1 922 . 1 1 76 76 ASP HB2 H 1 2.838 0.004 . 2 . . . . 223 ASP HB2 . 17233 1 923 . 1 1 76 76 ASP HB3 H 1 2.655 0.005 . 2 . . . . 223 ASP HB3 . 17233 1 924 . 1 1 76 76 ASP C C 13 180.278 0.1 . 1 . . . . 223 ASP C . 17233 1 925 . 1 1 76 76 ASP CA C 13 57.470 0.1 . 1 . . . . 223 ASP CA . 17233 1 926 . 1 1 76 76 ASP CB C 13 40.117 0.1 . 1 . . . . 223 ASP CB . 17233 1 927 . 1 1 76 76 ASP N N 15 121.171 0.1 . 1 . . . . 223 ASP N . 17233 1 928 . 1 1 77 77 ARG H H 1 7.763 0.001 . 1 . . . . 224 ARG H . 17233 1 929 . 1 1 77 77 ARG HA H 1 3.994 0.005 . 1 . . . . 224 ARG HA . 17233 1 930 . 1 1 77 77 ARG HB2 H 1 1.824 0.02 . 2 . . . . 224 ARG HB2 . 17233 1 931 . 1 1 77 77 ARG HB3 H 1 1.760 0.007 . 2 . . . . 224 ARG HB3 . 17233 1 932 . 1 1 77 77 ARG HD2 H 1 3.151 0.02 . 2 . . . . 224 ARG HD2 . 17233 1 933 . 1 1 77 77 ARG HD3 H 1 3.123 0.02 . 2 . . . . 224 ARG HD3 . 17233 1 934 . 1 1 77 77 ARG HE H 1 7.241 0.02 . 1 . . . . 224 ARG HE . 17233 1 935 . 1 1 77 77 ARG HG2 H 1 1.748 0.007 . 2 . . . . 224 ARG HG2 . 17233 1 936 . 1 1 77 77 ARG HG3 H 1 1.539 0.007 . 2 . . . . 224 ARG HG3 . 17233 1 937 . 1 1 77 77 ARG C C 13 178.925 0.1 . 1 . . . . 224 ARG C . 17233 1 938 . 1 1 77 77 ARG CA C 13 59.285 0.1 . 1 . . . . 224 ARG CA . 17233 1 939 . 1 1 77 77 ARG CB C 13 29.899 0.1 . 1 . . . . 224 ARG CB . 17233 1 940 . 1 1 77 77 ARG CD C 13 43.839 0.1 . 1 . . . . 224 ARG CD . 17233 1 941 . 1 1 77 77 ARG CG C 13 27.878 0.1 . 1 . . . . 224 ARG CG . 17233 1 942 . 1 1 77 77 ARG N N 15 120.838 0.1 . 1 . . . . 224 ARG N . 17233 1 943 . 1 1 77 77 ARG NE N 15 84.663 0.1 . 1 . . . . 224 ARG NE . 17233 1 944 . 1 1 78 78 LYS H H 1 7.145 0.003 . 1 . . . . 225 LYS H . 17233 1 945 . 1 1 78 78 LYS HA H 1 3.702 0.02 . 1 . . . . 225 LYS HA . 17233 1 946 . 1 1 78 78 LYS HB2 H 1 0.848 0.015 . 2 . . . . 225 LYS HB2 . 17233 1 947 . 1 1 78 78 LYS HB3 H 1 0.088 0.004 . 2 . . . . 225 LYS HB3 . 17233 1 948 . 1 1 78 78 LYS HD2 H 1 0.724 0.02 . 2 . . . . 225 LYS HD2 . 17233 1 949 . 1 1 78 78 LYS HD3 H 1 0.724 0.02 . 2 . . . . 225 LYS HD3 . 17233 1 950 . 1 1 78 78 LYS HE2 H 1 2.332 0.02 . 2 . . . . 225 LYS HE2 . 17233 1 951 . 1 1 78 78 LYS HE3 H 1 2.221 0.02 . 2 . . . . 225 LYS HE3 . 17233 1 952 . 1 1 78 78 LYS HG2 H 1 0.500 0.02 . 2 . . . . 225 LYS HG2 . 17233 1 953 . 1 1 78 78 LYS HG3 H 1 -0.021 0.004 . 2 . . . . 225 LYS HG3 . 17233 1 954 . 1 1 78 78 LYS C C 13 177.360 0.1 . 1 . . . . 225 LYS C . 17233 1 955 . 1 1 78 78 LYS CA C 13 56.004 0.1 . 1 . . . . 225 LYS CA . 17233 1 956 . 1 1 78 78 LYS CB C 13 31.027 0.1 . 1 . . . . 225 LYS CB . 17233 1 957 . 1 1 78 78 LYS CD C 13 27.624 0.1 . 1 . . . . 225 LYS CD . 17233 1 958 . 1 1 78 78 LYS CE C 13 41.796 0.1 . 1 . . . . 225 LYS CE . 17233 1 959 . 1 1 78 78 LYS CG C 13 23.409 0.1 . 1 . . . . 225 LYS CG . 17233 1 960 . 1 1 78 78 LYS N N 15 117.373 0.1 . 1 . . . . 225 LYS N . 17233 1 961 . 1 1 79 79 GLY H H 1 7.742 0.007 . 1 . . . . 226 GLY H . 17233 1 962 . 1 1 79 79 GLY HA2 H 1 3.891 0.001 . 2 . . . . 226 GLY HA2 . 17233 1 963 . 1 1 79 79 GLY HA3 H 1 4.087 0.02 . 2 . . . . 226 GLY HA3 . 17233 1 964 . 1 1 79 79 GLY C C 13 175.331 0.1 . 1 . . . . 226 GLY C . 17233 1 965 . 1 1 79 79 GLY CA C 13 45.882 0.1 . 1 . . . . 226 GLY CA . 17233 1 966 . 1 1 79 79 GLY N N 15 106.623 0.039 . 1 . . . . 226 GLY N . 17233 1 967 . 1 1 80 80 TRP H H 1 7.275 0.005 . 1 . . . . 227 TRP H . 17233 1 968 . 1 1 80 80 TRP HA H 1 5.146 0.002 . 1 . . . . 227 TRP HA . 17233 1 969 . 1 1 80 80 TRP HB2 H 1 3.518 0.004 . 2 . . . . 227 TRP HB2 . 17233 1 970 . 1 1 80 80 TRP HB3 H 1 3.074 0.02 . 2 . . . . 227 TRP HB3 . 17233 1 971 . 1 1 80 80 TRP HD1 H 1 6.976 0.004 . 1 . . . . 227 TRP HD1 . 17233 1 972 . 1 1 80 80 TRP HE1 H 1 10.205 0.004 . 1 . . . . 227 TRP HE1 . 17233 1 973 . 1 1 80 80 TRP HE3 H 1 7.318 0.02 . 1 . . . . 227 TRP HE3 . 17233 1 974 . 1 1 80 80 TRP HH2 H 1 6.364 0.003 . 1 . . . . 227 TRP HH2 . 17233 1 975 . 1 1 80 80 TRP HZ2 H 1 7.293 0.003 . 1 . . . . 227 TRP HZ2 . 17233 1 976 . 1 1 80 80 TRP HZ3 H 1 6.400 0.02 . 1 . . . . 227 TRP HZ3 . 17233 1 977 . 1 1 80 80 TRP C C 13 175.988 0.1 . 1 . . . . 227 TRP C . 17233 1 978 . 1 1 80 80 TRP CA C 13 54.811 0.1 . 1 . . . . 227 TRP CA . 17233 1 979 . 1 1 80 80 TRP CB C 13 31.429 0.1 . 1 . . . . 227 TRP CB . 17233 1 980 . 1 1 80 80 TRP CD1 C 13 124.281 0.1 . 1 . . . . 227 TRP CD1 . 17233 1 981 . 1 1 80 80 TRP CE3 C 13 119.361 0.1 . 1 . . . . 227 TRP CE3 . 17233 1 982 . 1 1 80 80 TRP CH2 C 13 124.540 0.1 . 1 . . . . 227 TRP CH2 . 17233 1 983 . 1 1 80 80 TRP CZ2 C 13 113.923 0.1 . 1 . . . . 227 TRP CZ2 . 17233 1 984 . 1 1 80 80 TRP CZ3 C 13 121.691 0.1 . 1 . . . . 227 TRP CZ3 . 17233 1 985 . 1 1 80 80 TRP N N 15 120.731 0.1 . 1 . . . . 227 TRP N . 17233 1 986 . 1 1 80 80 TRP NE1 N 15 127.768 0.1 . 1 . . . . 227 TRP NE1 . 17233 1 987 . 1 1 81 81 TRP H H 1 8.898 0.005 . 1 . . . . 228 TRP H . 17233 1 988 . 1 1 81 81 TRP HA H 1 4.404 0.007 . 1 . . . . 228 TRP HA . 17233 1 989 . 1 1 81 81 TRP HB2 H 1 3.358 0.012 . 2 . . . . 228 TRP HB2 . 17233 1 990 . 1 1 81 81 TRP HB3 H 1 3.070 0.006 . 2 . . . . 228 TRP HB3 . 17233 1 991 . 1 1 81 81 TRP HD1 H 1 7.252 0.02 . 1 . . . . 228 TRP HD1 . 17233 1 992 . 1 1 81 81 TRP HE1 H 1 9.986 0.004 . 1 . . . . 228 TRP HE1 . 17233 1 993 . 1 1 81 81 TRP HE3 H 1 7.303 0.013 . 1 . . . . 228 TRP HE3 . 17233 1 994 . 1 1 81 81 TRP HH2 H 1 7.036 0.009 . 1 . . . . 228 TRP HH2 . 17233 1 995 . 1 1 81 81 TRP HZ2 H 1 7.339 0.02 . 1 . . . . 228 TRP HZ2 . 17233 1 996 . 1 1 81 81 TRP HZ3 H 1 6.800 0.003 . 1 . . . . 228 TRP HZ3 . 17233 1 997 . 1 1 81 81 TRP C C 13 175.118 0.1 . 1 . . . . 228 TRP C . 17233 1 998 . 1 1 81 81 TRP CA C 13 58.841 0.1 . 1 . . . . 228 TRP CA . 17233 1 999 . 1 1 81 81 TRP CB C 13 30.338 0.1 . 1 . . . . 228 TRP CB . 17233 1 1000 . 1 1 81 81 TRP CD1 C 13 127.388 0.1 . 1 . . . . 228 TRP CD1 . 17233 1 1001 . 1 1 81 81 TRP CE3 C 13 120.397 0.1 . 1 . . . . 228 TRP CE3 . 17233 1 1002 . 1 1 81 81 TRP CH2 C 13 124.799 0.1 . 1 . . . . 228 TRP CH2 . 17233 1 1003 . 1 1 81 81 TRP CZ2 C 13 114.700 0.1 . 1 . . . . 228 TRP CZ2 . 17233 1 1004 . 1 1 81 81 TRP CZ3 C 13 121.950 0.1 . 1 . . . . 228 TRP CZ3 . 17233 1 1005 . 1 1 81 81 TRP N N 15 122.521 0.1 . 1 . . . . 228 TRP N . 17233 1 1006 . 1 1 81 81 TRP NE1 N 15 129.398 0.1 . 1 . . . . 228 TRP NE1 . 17233 1 1007 . 1 1 82 82 TYR H H 1 6.145 0.004 . 1 . . . . 229 TYR H . 17233 1 1008 . 1 1 82 82 TYR HA H 1 4.443 0.007 . 1 . . . . 229 TYR HA . 17233 1 1009 . 1 1 82 82 TYR HB2 H 1 3.030 0.006 . 2 . . . . 229 TYR HB2 . 17233 1 1010 . 1 1 82 82 TYR HB3 H 1 2.399 0.001 . 2 . . . . 229 TYR HB3 . 17233 1 1011 . 1 1 82 82 TYR HD1 H 1 6.636 0.007 . 1 . . . . 229 TYR HD1 . 17233 1 1012 . 1 1 82 82 TYR HD2 H 1 6.636 0.007 . 1 . . . . 229 TYR HD2 . 17233 1 1013 . 1 1 82 82 TYR HE1 H 1 6.647 0.002 . 1 . . . . 229 TYR HE1 . 17233 1 1014 . 1 1 82 82 TYR HE2 H 1 6.647 0.002 . 1 . . . . 229 TYR HE2 . 17233 1 1015 . 1 1 82 82 TYR C C 13 172.026 0.1 . 1 . . . . 229 TYR C . 17233 1 1016 . 1 1 82 82 TYR CA C 13 56.770 0.007 . 1 . . . . 229 TYR CA . 17233 1 1017 . 1 1 82 82 TYR CB C 13 39.992 0.1 . 1 . . . . 229 TYR CB . 17233 1 1018 . 1 1 82 82 TYR CD1 C 13 134.121 0.1 . 1 . . . . 229 TYR CD1 . 17233 1 1019 . 1 1 82 82 TYR CE1 C 13 117.548 0.1 . 1 . . . . 229 TYR CE1 . 17233 1 1020 . 1 1 82 82 TYR N N 15 117.821 0.1 . 1 . . . . 229 TYR N . 17233 1 1021 . 1 1 83 83 GLU H H 1 8.500 0.001 . 1 . . . . 230 GLU H . 17233 1 1022 . 1 1 83 83 GLU HA H 1 4.353 0.02 . 1 . . . . 230 GLU HA . 17233 1 1023 . 1 1 83 83 GLU HB2 H 1 1.772 0.013 . 2 . . . . 230 GLU HB2 . 17233 1 1024 . 1 1 83 83 GLU HB3 H 1 1.772 0.013 . 2 . . . . 230 GLU HB3 . 17233 1 1025 . 1 1 83 83 GLU HG2 H 1 2.059 0.02 . 2 . . . . 230 GLU HG2 . 17233 1 1026 . 1 1 83 83 GLU HG3 H 1 2.045 0.005 . 2 . . . . 230 GLU HG3 . 17233 1 1027 . 1 1 83 83 GLU C C 13 174.306 0.1 . 1 . . . . 230 GLU C . 17233 1 1028 . 1 1 83 83 GLU CA C 13 54.591 0.1 . 1 . . . . 230 GLU CA . 17233 1 1029 . 1 1 83 83 GLU CB C 13 33.786 0.1 . 1 . . . . 230 GLU CB . 17233 1 1030 . 1 1 83 83 GLU CG C 13 36.433 0.1 . 1 . . . . 230 GLU CG . 17233 1 1031 . 1 1 83 83 GLU N N 15 117.439 0.1 . 1 . . . . 230 GLU N . 17233 1 1032 . 1 1 84 84 VAL H H 1 8.448 0.003 . 1 . . . . 231 VAL H . 17233 1 1033 . 1 1 84 84 VAL HA H 1 4.998 0.014 . 1 . . . . 231 VAL HA . 17233 1 1034 . 1 1 84 84 VAL HB H 1 1.977 0.002 . 1 . . . . 231 VAL HB . 17233 1 1035 . 1 1 84 84 VAL HG11 H 1 1.009 0.009 . 2 . . . . 231 VAL HG11 . 17233 1 1036 . 1 1 84 84 VAL HG12 H 1 1.009 0.009 . 2 . . . . 231 VAL HG12 . 17233 1 1037 . 1 1 84 84 VAL HG13 H 1 1.009 0.009 . 2 . . . . 231 VAL HG13 . 17233 1 1038 . 1 1 84 84 VAL HG21 H 1 1.009 0.009 . 2 . . . . 231 VAL HG21 . 17233 1 1039 . 1 1 84 84 VAL HG22 H 1 1.009 0.009 . 2 . . . . 231 VAL HG22 . 17233 1 1040 . 1 1 84 84 VAL HG23 H 1 1.009 0.009 . 2 . . . . 231 VAL HG23 . 17233 1 1041 . 1 1 84 84 VAL C C 13 175.543 0.1 . 1 . . . . 231 VAL C . 17233 1 1042 . 1 1 84 84 VAL CA C 13 61.365 0.1 . 1 . . . . 231 VAL CA . 17233 1 1043 . 1 1 84 84 VAL CB C 13 33.543 0.1 . 1 . . . . 231 VAL CB . 17233 1 1044 . 1 1 84 84 VAL CG1 C 13 21.877 0.1 . 1 . . . . 231 VAL CG1 . 17233 1 1045 . 1 1 84 84 VAL N N 15 123.979 0.1 . 1 . . . . 231 VAL N . 17233 1 1046 . 1 1 85 85 LYS H H 1 9.240 0.003 . 1 . . . . 232 LYS H . 17233 1 1047 . 1 1 85 85 LYS HA H 1 4.442 0.003 . 1 . . . . 232 LYS HA . 17233 1 1048 . 1 1 85 85 LYS HB2 H 1 1.893 0.003 . 2 . . . . 232 LYS HB2 . 17233 1 1049 . 1 1 85 85 LYS HB3 H 1 1.612 0.003 . 2 . . . . 232 LYS HB3 . 17233 1 1050 . 1 1 85 85 LYS HD2 H 1 1.612 0.02 . 2 . . . . 232 LYS HD2 . 17233 1 1051 . 1 1 85 85 LYS HD3 H 1 1.612 0.02 . 2 . . . . 232 LYS HD3 . 17233 1 1052 . 1 1 85 85 LYS HE2 H 1 2.852 0.007 . 2 . . . . 232 LYS HE2 . 17233 1 1053 . 1 1 85 85 LYS HE3 H 1 2.852 0.007 . 2 . . . . 232 LYS HE3 . 17233 1 1054 . 1 1 85 85 LYS HG2 H 1 1.309 0.004 . 2 . . . . 232 LYS HG2 . 17233 1 1055 . 1 1 85 85 LYS HG3 H 1 1.249 0.001 . 2 . . . . 232 LYS HG3 . 17233 1 1056 . 1 1 85 85 LYS C C 13 180.730 0.1 . 1 . . . . 232 LYS C . 17233 1 1057 . 1 1 85 85 LYS CA C 13 56.764 0.008 . 1 . . . . 232 LYS CA . 17233 1 1058 . 1 1 85 85 LYS CB C 13 35.069 0.1 . 1 . . . . 232 LYS CB . 17233 1 1059 . 1 1 85 85 LYS CD C 13 29.890 0.1 . 1 . . . . 232 LYS CD . 17233 1 1060 . 1 1 85 85 LYS CE C 13 42.838 0.1 . 1 . . . . 232 LYS CE . 17233 1 1061 . 1 1 85 85 LYS CG C 13 25.358 0.1 . 1 . . . . 232 LYS CG . 17233 1 1062 . 1 1 85 85 LYS N N 15 134.151 0.1 . 1 . . . . 232 LYS N . 17233 1 stop_ save_