data_17435 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17435 _Entry.Title ; solution structure of the C-terminal domain of Salmonella H-NS ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-01-29 _Entry.Accession_date 2011-01-29 _Entry.Last_release_date 2015-06-23 _Entry.Original_release_date 2015-06-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yifei Li . . . 17435 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' . 17435 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'AT hook' . 17435 H-NS . 17435 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17435 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 173 17435 '15N chemical shifts' 51 17435 '1H chemical shifts' 350 17435 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 . . 2015-06-23 . original BMRB . 17435 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17434 'C-terminal domain of H-NS like protein Bv3F' 17435 PDB 2L92 'C-terminal domain of H-NS like protein Bv3F' 17435 PDB 2L93 'BMRB Entry Tracking System' 17435 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17435 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21673140 _Citation.Full_citation . _Citation.Title ; Structural basis for recognition of AT-rich DNA by unrelated xenogeneic silencing proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 108 _Citation.Journal_issue 26 _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 10690 _Citation.Page_last 10695 _Citation.Year 2011 _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 Blair Gordon . R.G. . 17435 1 2 Yifei Li . . . 17435 1 3 Atina Cote . . . 17435 1 4 Matthew Weirauch . T. . 17435 1 5 Pengfei Ding . . . 17435 1 6 Timothy Hughes . R. . 17435 1 7 William Navarre . W. . 17435 1 8 Bin Xia . . . 17435 1 9 Jun Liu . . . 17435 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17435 _Assembly.ID 1 _Assembly.Name 'C-terminal domain of Salmonella H-NS' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 H-NS 1 $H-NS A . yes native no no . . . 17435 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_H-NS _Entity.Sf_category entity _Entity.Sf_framecode H-NS _Entity.Entry_ID 17435 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name H-NS _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 ; AARPAKYSYVDENGETKTWT GQGRTPAVIKKAMEEQGKQL EDFLIKELE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 49 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5564.294 _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 2L93 . "Solution Structure Of The C-Terminal Domain Of Salmonella H-Ns" . . . . . 100.00 55 100.00 100.00 7.43e-27 . . . . 17435 1 2 no DBJ BAJ36716 . "global DNA-binding transcriptional dual regulator H-NS [Salmonella enterica subsp. enterica serovar Typhimurium str. T000240]" . . . . . 95.92 137 100.00 100.00 4.94e-25 . . . . 17435 1 3 no DBJ BAP07615 . "DNA-binding protein [Salmonella enterica subsp. enterica serovar Typhimurium str. L-3553]" . . . . . 95.92 137 100.00 100.00 4.94e-25 . . . . 17435 1 4 no DBJ GAL42187 . "DNA-binding protein H-NS [Citrobacter freundii NBRC 12681]" . . . . . 95.92 137 97.87 100.00 1.56e-24 . . . . 17435 1 5 no DBJ GAL43811 . "DNA-binding protein H-NS [Citrobacter werkmanii NBRC 105721]" . . . . . 95.92 137 97.87 100.00 1.56e-24 . . . . 17435 1 6 no DBJ GAL48349 . "DNA-binding protein H-NS [Citrobacter farmeri GTC 1319]" . . . . . 95.92 137 97.87 100.00 1.54e-24 . . . . 17435 1 7 no EMBL CAA32549 . "unnamed protein product [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 95.92 137 100.00 100.00 4.94e-25 . . . . 17435 1 8 no EMBL CAD08382 . "DNA-binding protein (histone-like protein Hlp-II) [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 95.92 137 100.00 100.00 4.94e-25 . . . . 17435 1 9 no EMBL CAR32863 . "H-ns protein (histone-like protein Hlp-II) [Salmonella enterica subsp. enterica serovar Enteritidis str. P125109]" . . . . . 95.92 137 100.00 100.00 4.94e-25 . . . . 17435 1 10 no EMBL CAR37239 . "H-ns protein (histone-like protein Hlp-II) [Salmonella enterica subsp. enterica serovar Gallinarum str. 287/91]" . . . . . 95.92 137 100.00 100.00 4.94e-25 . . . . 17435 1 11 no EMBL CAR59200 . "DNA-binding protein (histone-like protein Hlp-II) [Salmonella enterica subsp. enterica serovar Paratyphi A str. AKU_12601]" . . . . . 95.92 137 97.87 97.87 5.40e-24 . . . . 17435 1 12 no GB AAB61148 . "histone H1-like protein [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 95.92 137 100.00 100.00 4.94e-25 . . . . 17435 1 13 no GB AAL20669 . "DNA-binding protein HLP-II [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 95.92 137 100.00 100.00 4.94e-25 . . . . 17435 1 14 no GB AAO69288 . "DNA-binding protein [Salmonella enterica subsp. enterica serovar Typhi str. Ty2]" . . . . . 95.92 137 100.00 100.00 4.94e-25 . . . . 17435 1 15 no GB AAV77088 . "DNA-binding protein (histone-like protein Hlp-II) [Salmonella enterica subsp. enterica serovar Paratyphi A str. ATCC 9150]" . . . . . 95.92 137 97.87 97.87 5.40e-24 . . . . 17435 1 16 no GB AAX65652 . "DNA-binding protein HLP-II (HU, BH2, HD, NS); pleiotropic regulator [Salmonella enterica subsp. enterica serovar Choleraesuis s" . . . . . 95.92 137 100.00 100.00 4.94e-25 . . . . 17435 1 17 no PIR AC0650 . "DNA-binding protein (histone-like protein Hlp-II) [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 95.92 137 100.00 100.00 4.94e-25 . . . . 17435 1 18 no REF NP_455749 . "DNA-binding protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 95.92 137 100.00 100.00 4.94e-25 . . . . 17435 1 19 no REF NP_460710 . "DNA-binding protein H-NS [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 95.92 137 100.00 100.00 4.94e-25 . . . . 17435 1 20 no REF WP_001287382 . "DNA-binding protein H-NS [Salmonella enterica]" . . . . . 95.92 137 97.87 97.87 5.40e-24 . . . . 17435 1 21 no REF WP_001287383 . "MULTISPECIES: DNA-binding protein H-NS [Salmonella]" . . . . . 95.92 137 100.00 100.00 4.94e-25 . . . . 17435 1 22 no REF WP_001748450 . "DNA-binding protein H-NS [Salmonella enterica]" . . . . . 95.92 137 100.00 100.00 4.43e-25 . . . . 17435 1 23 no SP P0A1S2 . "RecName: Full=DNA-binding protein H-NS; AltName: Full=Histone-like protein HLP-II; AltName: Full=Protein B1; AltName: Full=Prot" . . . . . 95.92 137 100.00 100.00 4.94e-25 . . . . 17435 1 24 no SP P0A1S3 . "RecName: Full=DNA-binding protein H-NS; AltName: Full=Histone-like protein HLP-II; AltName: Full=Protein B1; AltName: Full=Prot" . . . . . 95.92 137 100.00 100.00 4.94e-25 . . . . 17435 1 25 no SP Q5PCT5 . "RecName: Full=DNA-binding protein H-NS; AltName: Full=Histone-like protein HLP-II; AltName: Full=Protein B1; AltName: Full=Prot" . . . . . 95.92 137 97.87 97.87 5.40e-24 . . . . 17435 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 91 ALA . 17435 1 2 92 ALA . 17435 1 3 93 ARG . 17435 1 4 94 PRO . 17435 1 5 95 ALA . 17435 1 6 96 LYS . 17435 1 7 97 TYR . 17435 1 8 98 SER . 17435 1 9 99 TYR . 17435 1 10 100 VAL . 17435 1 11 101 ASP . 17435 1 12 102 GLU . 17435 1 13 103 ASN . 17435 1 14 104 GLY . 17435 1 15 105 GLU . 17435 1 16 106 THR . 17435 1 17 107 LYS . 17435 1 18 108 THR . 17435 1 19 109 TRP . 17435 1 20 110 THR . 17435 1 21 111 GLY . 17435 1 22 112 GLN . 17435 1 23 113 GLY . 17435 1 24 114 ARG . 17435 1 25 115 THR . 17435 1 26 116 PRO . 17435 1 27 117 ALA . 17435 1 28 118 VAL . 17435 1 29 119 ILE . 17435 1 30 120 LYS . 17435 1 31 121 LYS . 17435 1 32 122 ALA . 17435 1 33 123 MET . 17435 1 34 124 GLU . 17435 1 35 125 GLU . 17435 1 36 126 GLN . 17435 1 37 127 GLY . 17435 1 38 128 LYS . 17435 1 39 129 GLN . 17435 1 40 130 LEU . 17435 1 41 131 GLU . 17435 1 42 132 ASP . 17435 1 43 133 PHE . 17435 1 44 134 LEU . 17435 1 45 135 ILE . 17435 1 46 136 LYS . 17435 1 47 137 GLU . 17435 1 48 138 LEU . 17435 1 49 139 GLU . 17435 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 . ALA 1 1 17435 1 . ALA 2 2 17435 1 . ARG 3 3 17435 1 . PRO 4 4 17435 1 . ALA 5 5 17435 1 . LYS 6 6 17435 1 . TYR 7 7 17435 1 . SER 8 8 17435 1 . TYR 9 9 17435 1 . VAL 10 10 17435 1 . ASP 11 11 17435 1 . GLU 12 12 17435 1 . ASN 13 13 17435 1 . GLY 14 14 17435 1 . GLU 15 15 17435 1 . THR 16 16 17435 1 . LYS 17 17 17435 1 . THR 18 18 17435 1 . TRP 19 19 17435 1 . THR 20 20 17435 1 . GLY 21 21 17435 1 . GLN 22 22 17435 1 . GLY 23 23 17435 1 . ARG 24 24 17435 1 . THR 25 25 17435 1 . PRO 26 26 17435 1 . ALA 27 27 17435 1 . VAL 28 28 17435 1 . ILE 29 29 17435 1 . LYS 30 30 17435 1 . LYS 31 31 17435 1 . ALA 32 32 17435 1 . MET 33 33 17435 1 . GLU 34 34 17435 1 . GLU 35 35 17435 1 . GLN 36 36 17435 1 . GLY 37 37 17435 1 . LYS 38 38 17435 1 . GLN 39 39 17435 1 . LEU 40 40 17435 1 . GLU 41 41 17435 1 . ASP 42 42 17435 1 . PHE 43 43 17435 1 . LEU 44 44 17435 1 . ILE 45 45 17435 1 . LYS 46 46 17435 1 . GLU 47 47 17435 1 . LEU 48 48 17435 1 . GLU 49 49 17435 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 17435 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $H-NS . 90371 organism . 'Salmonella typhimurium' 'Salmonella typhimurium' . . Bacteria . Salmonella typhimurium . . . . . . . . . . . . . 17435 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 17435 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $H-NS . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . 562 Escherichia coli . . . . . . pET21a . . . 17435 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17435 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'C-terminal domain of Salmonella H-NS' '[U-13C, >90%; U-15 N, >90%]' . . 1 $H-NS . . 0.7 . . mM . . . . 17435 1 2 'sodium phosphate' '[U-100% 13C; U-100% 15N]' . . . . . . 50 . . mM . . . . 17435 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 17435 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 17435 1 pH 7.0 . pH 17435 1 pressure 1 . atm 17435 1 temperature 298 . K 17435 1 stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 17435 _Software.ID 1 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 17435 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 17435 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17435 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17435 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 17435 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 17435 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17435 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 17435 _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 . indirect 0.251449530 . . . . . . . . . 17435 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17435 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17435 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 17435 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17435 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 1 1 ALA HA H 1 4.363 . . 1 . . . A 91 ALA HA . 17435 1 2 . 1 1 1 1 ALA HB1 H 1 1.400 . . 1 . . . A 91 ALA HB1 . 17435 1 3 . 1 1 1 1 ALA HB2 H 1 1.400 . . 1 . . . A 91 ALA HB1 . 17435 1 4 . 1 1 1 1 ALA HB3 H 1 1.400 . . 1 . . . A 91 ALA HB1 . 17435 1 5 . 1 1 1 1 ALA CA C 13 52.339 . . 1 . . . A 91 ALA CA . 17435 1 6 . 1 1 1 1 ALA CB C 13 19.431 . . 1 . . . A 91 ALA CB . 17435 1 7 . 1 1 1 1 ALA N N 15 125.227 . . 1 . . . A 91 ALA N . 17435 1 8 . 1 1 2 2 ALA H H 1 8.431 . . 1 . . . A 92 ALA H . 17435 1 9 . 1 1 2 2 ALA HA H 1 4.303 . . 1 . . . A 92 ALA HA . 17435 1 10 . 1 1 2 2 ALA HB1 H 1 1.377 . . 1 . . . A 92 ALA HB1 . 17435 1 11 . 1 1 2 2 ALA HB2 H 1 1.377 . . 1 . . . A 92 ALA HB1 . 17435 1 12 . 1 1 2 2 ALA HB3 H 1 1.377 . . 1 . . . A 92 ALA HB1 . 17435 1 13 . 1 1 2 2 ALA CA C 13 52.339 . . 1 . . . A 92 ALA CA . 17435 1 14 . 1 1 2 2 ALA CB C 13 19.431 . . 1 . . . A 92 ALA CB . 17435 1 15 . 1 1 2 2 ALA N N 15 125.227 . . 1 . . . A 92 ALA N . 17435 1 16 . 1 1 3 3 ARG H H 1 8.310 . . 1 . . . A 93 ARG H . 17435 1 17 . 1 1 3 3 ARG HA H 1 4.600 . . 1 . . . A 93 ARG HA . 17435 1 18 . 1 1 3 3 ARG HB2 H 1 1.710 . . 2 . . . A 93 ARG HB2 . 17435 1 19 . 1 1 3 3 ARG HB3 H 1 1.859 . . 2 . . . A 93 ARG HB3 . 17435 1 20 . 1 1 3 3 ARG HG2 H 1 1.675 . . 2 . . . A 93 ARG HG2 . 17435 1 21 . 1 1 3 3 ARG HG3 H 1 1.675 . . 2 . . . A 93 ARG HG3 . 17435 1 22 . 1 1 3 3 ARG HD2 H 1 3.185 . . 2 . . . A 93 ARG HD2 . 17435 1 23 . 1 1 3 3 ARG HD3 H 1 3.185 . . 2 . . . A 93 ARG HD3 . 17435 1 24 . 1 1 3 3 ARG CA C 13 53.835 . . 1 . . . A 93 ARG CA . 17435 1 25 . 1 1 3 3 ARG CB C 13 30.342 . . 1 . . . A 93 ARG CB . 17435 1 26 . 1 1 3 3 ARG CG C 13 27.034 . . 1 . . . A 93 ARG CG . 17435 1 27 . 1 1 3 3 ARG CD C 13 43.529 . . 1 . . . A 93 ARG CD . 17435 1 28 . 1 1 3 3 ARG N N 15 122.131 . . 1 . . . A 93 ARG N . 17435 1 29 . 1 1 4 4 PRO HA H 1 4.389 . . 1 . . . A 94 PRO HA . 17435 1 30 . 1 1 4 4 PRO HB2 H 1 1.864 . . 2 . . . A 94 PRO HB2 . 17435 1 31 . 1 1 4 4 PRO HB3 H 1 2.261 . . 2 . . . A 94 PRO HB3 . 17435 1 32 . 1 1 4 4 PRO HG2 H 1 1.986 . . 2 . . . A 94 PRO HG2 . 17435 1 33 . 1 1 4 4 PRO HG3 H 1 1.986 . . 2 . . . A 94 PRO HG3 . 17435 1 34 . 1 1 4 4 PRO HD2 H 1 3.770 . . 2 . . . A 94 PRO HD2 . 17435 1 35 . 1 1 4 4 PRO HD3 H 1 3.607 . . 2 . . . A 94 PRO HD3 . 17435 1 36 . 1 1 4 4 PRO CA C 13 62.786 . . 1 . . . A 94 PRO CA . 17435 1 37 . 1 1 4 4 PRO CB C 13 32.274 . . 1 . . . A 94 PRO CB . 17435 1 38 . 1 1 4 4 PRO CG C 13 27.284 . . 1 . . . A 94 PRO CG . 17435 1 39 . 1 1 4 4 PRO CD C 13 50.642 . . 1 . . . A 94 PRO CD . 17435 1 40 . 1 1 5 5 ALA H H 1 8.279 . . 1 . . . A 95 ALA H . 17435 1 41 . 1 1 5 5 ALA HA H 1 4.027 . . 1 . . . A 95 ALA HA . 17435 1 42 . 1 1 5 5 ALA HB1 H 1 1.268 . . 1 . . . A 95 ALA HB1 . 17435 1 43 . 1 1 5 5 ALA HB2 H 1 1.268 . . 1 . . . A 95 ALA HB1 . 17435 1 44 . 1 1 5 5 ALA HB3 H 1 1.268 . . 1 . . . A 95 ALA HB1 . 17435 1 45 . 1 1 5 5 ALA CA C 13 52.780 . . 1 . . . A 95 ALA CA . 17435 1 46 . 1 1 5 5 ALA CB C 13 19.436 . . 1 . . . A 95 ALA CB . 17435 1 47 . 1 1 5 5 ALA N N 15 124.631 . . 1 . . . A 95 ALA N . 17435 1 48 . 1 1 6 6 LYS H H 1 7.629 . . 1 . . . A 96 LYS H . 17435 1 49 . 1 1 6 6 LYS HA H 1 4.342 . . 1 . . . A 96 LYS HA . 17435 1 50 . 1 1 6 6 LYS HB2 H 1 1.434 . . 2 . . . A 96 LYS HB2 . 17435 1 51 . 1 1 6 6 LYS HB3 H 1 1.385 . . 2 . . . A 96 LYS HB3 . 17435 1 52 . 1 1 6 6 LYS HG2 H 1 1.152 . . 2 . . . A 96 LYS HG2 . 17435 1 53 . 1 1 6 6 LYS HG3 H 1 0.874 . . 2 . . . A 96 LYS HG3 . 17435 1 54 . 1 1 6 6 LYS HD2 H 1 1.508 . . 2 . . . A 96 LYS HD2 . 17435 1 55 . 1 1 6 6 LYS HD3 H 1 1.508 . . 2 . . . A 96 LYS HD3 . 17435 1 56 . 1 1 6 6 LYS HE2 H 1 2.836 . . 2 . . . A 96 LYS HE2 . 17435 1 57 . 1 1 6 6 LYS HE3 H 1 2.836 . . 2 . . . A 96 LYS HE3 . 17435 1 58 . 1 1 6 6 LYS CA C 13 56.589 . . 1 . . . A 96 LYS CA . 17435 1 59 . 1 1 6 6 LYS CB C 13 35.925 . . 1 . . . A 96 LYS CB . 17435 1 60 . 1 1 6 6 LYS CG C 13 25.038 . . 1 . . . A 96 LYS CG . 17435 1 61 . 1 1 6 6 LYS CD C 13 29.535 . . 1 . . . A 96 LYS CD . 17435 1 62 . 1 1 6 6 LYS CE C 13 42.142 . . 1 . . . A 96 LYS CE . 17435 1 63 . 1 1 6 6 LYS N N 15 120.709 . . 1 . . . A 96 LYS N . 17435 1 64 . 1 1 7 7 TYR H H 1 8.397 . . 1 . . . A 97 TYR H . 17435 1 65 . 1 1 7 7 TYR HA H 1 5.491 . . 1 . . . A 97 TYR HA . 17435 1 66 . 1 1 7 7 TYR HB2 H 1 3.044 . . 2 . . . A 97 TYR HB2 . 17435 1 67 . 1 1 7 7 TYR HB3 H 1 3.227 . . 2 . . . A 97 TYR HB3 . 17435 1 68 . 1 1 7 7 TYR HD1 H 1 6.756 . . 3 . . . A 97 TYR HD1 . 17435 1 69 . 1 1 7 7 TYR HD2 H 1 6.756 . . 3 . . . A 97 TYR HD2 . 17435 1 70 . 1 1 7 7 TYR HE1 H 1 6.464 . . 3 . . . A 97 TYR HE1 . 17435 1 71 . 1 1 7 7 TYR HE2 H 1 6.464 . . 3 . . . A 97 TYR HE2 . 17435 1 72 . 1 1 7 7 TYR CA C 13 56.625 . . 1 . . . A 97 TYR CA . 17435 1 73 . 1 1 7 7 TYR CB C 13 42.038 . . 1 . . . A 97 TYR CB . 17435 1 74 . 1 1 7 7 TYR CD1 C 13 133.359 . . 3 . . . A 97 TYR CD1 . 17435 1 75 . 1 1 7 7 TYR CD2 C 13 133.359 . . 3 . . . A 97 TYR CD2 . 17435 1 76 . 1 1 7 7 TYR CE1 C 13 118.123 . . 3 . . . A 97 TYR CE1 . 17435 1 77 . 1 1 7 7 TYR CE2 C 13 118.123 . . 3 . . . A 97 TYR CE2 . 17435 1 78 . 1 1 7 7 TYR N N 15 118.716 . . 1 . . . A 97 TYR N . 17435 1 79 . 1 1 8 8 SER H H 1 9.348 . . 1 . . . A 98 SER H . 17435 1 80 . 1 1 8 8 SER HA H 1 5.668 . . 1 . . . A 98 SER HA . 17435 1 81 . 1 1 8 8 SER HB2 H 1 3.739 . . 2 . . . A 98 SER HB2 . 17435 1 82 . 1 1 8 8 SER HB3 H 1 3.814 . . 2 . . . A 98 SER HB3 . 17435 1 83 . 1 1 8 8 SER CA C 13 56.844 . . 1 . . . A 98 SER CA . 17435 1 84 . 1 1 8 8 SER CB C 13 65.994 . . 1 . . . A 98 SER CB . 17435 1 85 . 1 1 8 8 SER N N 15 116.398 . . 1 . . . A 98 SER N . 17435 1 86 . 1 1 9 9 TYR H H 1 8.813 . . 1 . . . A 99 TYR H . 17435 1 87 . 1 1 9 9 TYR HA H 1 5.138 . . 1 . . . A 99 TYR HA . 17435 1 88 . 1 1 9 9 TYR HB2 H 1 2.905 . . 2 . . . A 99 TYR HB2 . 17435 1 89 . 1 1 9 9 TYR HB3 H 1 3.045 . . 2 . . . A 99 TYR HB3 . 17435 1 90 . 1 1 9 9 TYR HD1 H 1 6.650 . . 3 . . . A 99 TYR HD1 . 17435 1 91 . 1 1 9 9 TYR HD2 H 1 6.650 . . 3 . . . A 99 TYR HD2 . 17435 1 92 . 1 1 9 9 TYR HE1 H 1 6.510 . . 3 . . . A 99 TYR HE1 . 17435 1 93 . 1 1 9 9 TYR HE2 H 1 6.510 . . 3 . . . A 99 TYR HE2 . 17435 1 94 . 1 1 9 9 TYR CA C 13 56.104 . . 1 . . . A 99 TYR CA . 17435 1 95 . 1 1 9 9 TYR CB C 13 39.711 . . 1 . . . A 99 TYR CB . 17435 1 96 . 1 1 9 9 TYR CD1 C 13 133.594 . . 3 . . . A 99 TYR CD1 . 17435 1 97 . 1 1 9 9 TYR CD2 C 13 133.594 . . 3 . . . A 99 TYR CD2 . 17435 1 98 . 1 1 9 9 TYR CE1 C 13 116.951 . . 3 . . . A 99 TYR CE1 . 17435 1 99 . 1 1 9 9 TYR CE2 C 13 116.951 . . 3 . . . A 99 TYR CE2 . 17435 1 100 . 1 1 9 9 TYR N N 15 120.910 . . 1 . . . A 99 TYR N . 17435 1 101 . 1 1 10 10 VAL H H 1 8.543 . . 1 . . . A 100 VAL H . 17435 1 102 . 1 1 10 10 VAL HA H 1 4.471 . . 1 . . . A 100 VAL HA . 17435 1 103 . 1 1 10 10 VAL HB H 1 1.942 . . 1 . . . A 100 VAL HB . 17435 1 104 . 1 1 10 10 VAL HG11 H 1 0.931 . . 2 . . . A 100 VAL HG11 . 17435 1 105 . 1 1 10 10 VAL HG12 H 1 0.931 . . 2 . . . A 100 VAL HG11 . 17435 1 106 . 1 1 10 10 VAL HG13 H 1 0.931 . . 2 . . . A 100 VAL HG11 . 17435 1 107 . 1 1 10 10 VAL HG21 H 1 0.931 . . 2 . . . A 100 VAL HG21 . 17435 1 108 . 1 1 10 10 VAL HG22 H 1 0.931 . . 2 . . . A 100 VAL HG21 . 17435 1 109 . 1 1 10 10 VAL HG23 H 1 0.931 . . 2 . . . A 100 VAL HG21 . 17435 1 110 . 1 1 10 10 VAL CA C 13 61.527 . . 1 . . . A 100 VAL CA . 17435 1 111 . 1 1 10 10 VAL CB C 13 32.477 . . 1 . . . A 100 VAL CB . 17435 1 112 . 1 1 10 10 VAL CG1 C 13 21.289 . . 1 . . . A 100 VAL CG1 . 17435 1 113 . 1 1 10 10 VAL CG2 C 13 21.289 . . 1 . . . A 100 VAL CG2 . 17435 1 114 . 1 1 10 10 VAL N N 15 121.701 . . 1 . . . A 100 VAL N . 17435 1 115 . 1 1 11 11 ASP H H 1 8.949 . . 1 . . . A 101 ASP H . 17435 1 116 . 1 1 11 11 ASP HA H 1 4.775 . . 1 . . . A 101 ASP HA . 17435 1 117 . 1 1 11 11 ASP HB2 H 1 2.762 . . 2 . . . A 101 ASP HB2 . 17435 1 118 . 1 1 11 11 ASP HB3 H 1 3.254 . . 2 . . . A 101 ASP HB3 . 17435 1 119 . 1 1 11 11 ASP CA C 13 52.905 . . 1 . . . A 101 ASP CA . 17435 1 120 . 1 1 11 11 ASP CB C 13 41.820 . . 1 . . . A 101 ASP CB . 17435 1 121 . 1 1 11 11 ASP N N 15 128.195 . . 1 . . . A 101 ASP N . 17435 1 122 . 1 1 12 12 GLU H H 1 9.821 . . 1 . . . A 102 GLU H . 17435 1 123 . 1 1 12 12 GLU HA H 1 4.109 . . 1 . . . A 102 GLU HA . 17435 1 124 . 1 1 12 12 GLU HB2 H 1 1.993 . . 2 . . . A 102 GLU HB2 . 17435 1 125 . 1 1 12 12 GLU HB3 H 1 2.104 . . 2 . . . A 102 GLU HB3 . 17435 1 126 . 1 1 12 12 GLU HG2 H 1 2.332 . . 2 . . . A 102 GLU HG2 . 17435 1 127 . 1 1 12 12 GLU HG3 H 1 2.332 . . 2 . . . A 102 GLU HG3 . 17435 1 128 . 1 1 12 12 GLU CA C 13 59.284 . . 1 . . . A 102 GLU CA . 17435 1 129 . 1 1 12 12 GLU CB C 13 28.886 . . 1 . . . A 102 GLU CB . 17435 1 130 . 1 1 12 12 GLU CG C 13 36.291 . . 1 . . . A 102 GLU CG . 17435 1 131 . 1 1 12 12 GLU N N 15 119.095 . . 1 . . . A 102 GLU N . 17435 1 132 . 1 1 13 13 ASN H H 1 8.310 . . 1 . . . A 103 ASN H . 17435 1 133 . 1 1 13 13 ASN HA H 1 4.869 . . 1 . . . A 103 ASN HA . 17435 1 134 . 1 1 13 13 ASN HB2 H 1 2.986 . . 2 . . . A 103 ASN HB2 . 17435 1 135 . 1 1 13 13 ASN HB3 H 1 2.986 . . 2 . . . A 103 ASN HB3 . 17435 1 136 . 1 1 13 13 ASN HD21 H 1 7.875 . . 2 . . . A 103 ASN HD21 . 17435 1 137 . 1 1 13 13 ASN HD22 H 1 6.928 . . 2 . . . A 103 ASN HD22 . 17435 1 138 . 1 1 13 13 ASN CA C 13 52.775 . . 1 . . . A 103 ASN CA . 17435 1 139 . 1 1 13 13 ASN CB C 13 39.192 . . 1 . . . A 103 ASN CB . 17435 1 140 . 1 1 13 13 ASN N N 15 117.268 . . 1 . . . A 103 ASN N . 17435 1 141 . 1 1 13 13 ASN ND2 N 15 114.895 . . 1 . . . A 103 ASN ND2 . 17435 1 142 . 1 1 14 14 GLY H H 1 8.270 . . 1 . . . A 104 GLY H . 17435 1 143 . 1 1 14 14 GLY HA2 H 1 3.542 . . 2 . . . A 104 GLY HA2 . 17435 1 144 . 1 1 14 14 GLY HA3 H 1 4.200 . . 2 . . . A 104 GLY HA3 . 17435 1 145 . 1 1 14 14 GLY CA C 13 45.566 . . 1 . . . A 104 GLY CA . 17435 1 146 . 1 1 14 14 GLY N N 15 109.352 . . 1 . . . A 104 GLY N . 17435 1 147 . 1 1 15 15 GLU H H 1 8.267 . . 1 . . . A 105 GLU H . 17435 1 148 . 1 1 15 15 GLU HA H 1 4.408 . . 1 . . . A 105 GLU HA . 17435 1 149 . 1 1 15 15 GLU HB2 H 1 1.988 . . 2 . . . A 105 GLU HB2 . 17435 1 150 . 1 1 15 15 GLU HB3 H 1 1.969 . . 2 . . . A 105 GLU HB3 . 17435 1 151 . 1 1 15 15 GLU HG2 H 1 2.251 . . 2 . . . A 105 GLU HG2 . 17435 1 152 . 1 1 15 15 GLU HG3 H 1 2.106 . . 2 . . . A 105 GLU HG3 . 17435 1 153 . 1 1 15 15 GLU CA C 13 55.565 . . 1 . . . A 105 GLU CA . 17435 1 154 . 1 1 15 15 GLU CB C 13 31.035 . . 1 . . . A 105 GLU CB . 17435 1 155 . 1 1 15 15 GLU CG C 13 36.535 . . 1 . . . A 105 GLU CG . 17435 1 156 . 1 1 15 15 GLU N N 15 123.342 . . 1 . . . A 105 GLU N . 17435 1 157 . 1 1 16 16 THR H H 1 8.739 . . 1 . . . A 106 THR H . 17435 1 158 . 1 1 16 16 THR HA H 1 4.547 . . 1 . . . A 106 THR HA . 17435 1 159 . 1 1 16 16 THR HB H 1 4.003 . . 1 . . . A 106 THR HB . 17435 1 160 . 1 1 16 16 THR HG21 H 1 1.092 . . 1 . . . A 106 THR HG21 . 17435 1 161 . 1 1 16 16 THR HG22 H 1 1.092 . . 1 . . . A 106 THR HG21 . 17435 1 162 . 1 1 16 16 THR HG23 H 1 1.092 . . 1 . . . A 106 THR HG21 . 17435 1 163 . 1 1 16 16 THR CA C 13 63.780 . . 1 . . . A 106 THR CA . 17435 1 164 . 1 1 16 16 THR CB C 13 68.939 . . 1 . . . A 106 THR CB . 17435 1 165 . 1 1 16 16 THR CG2 C 13 21.540 . . 1 . . . A 106 THR CG2 . 17435 1 166 . 1 1 16 16 THR N N 15 121.505 . . 1 . . . A 106 THR N . 17435 1 167 . 1 1 17 17 LYS H H 1 9.024 . . 1 . . . A 107 LYS H . 17435 1 168 . 1 1 17 17 LYS HA H 1 4.625 . . 1 . . . A 107 LYS HA . 17435 1 169 . 1 1 17 17 LYS HB2 H 1 0.653 . . 2 . . . A 107 LYS HB2 . 17435 1 170 . 1 1 17 17 LYS HB3 H 1 1.582 . . 2 . . . A 107 LYS HB3 . 17435 1 171 . 1 1 17 17 LYS HG2 H 1 1.307 . . 2 . . . A 107 LYS HG2 . 17435 1 172 . 1 1 17 17 LYS HG3 H 1 1.187 . . 2 . . . A 107 LYS HG3 . 17435 1 173 . 1 1 17 17 LYS HD2 H 1 1.760 . . 2 . . . A 107 LYS HD2 . 17435 1 174 . 1 1 17 17 LYS HD3 H 1 1.651 . . 2 . . . A 107 LYS HD3 . 17435 1 175 . 1 1 17 17 LYS HE2 H 1 2.974 . . 2 . . . A 107 LYS HE2 . 17435 1 176 . 1 1 17 17 LYS HE3 H 1 2.974 . . 2 . . . A 107 LYS HE3 . 17435 1 177 . 1 1 17 17 LYS CA C 13 53.530 . . 1 . . . A 107 LYS CA . 17435 1 178 . 1 1 17 17 LYS CB C 13 35.784 . . 1 . . . A 107 LYS CB . 17435 1 179 . 1 1 17 17 LYS CG C 13 24.631 . . 1 . . . A 107 LYS CG . 17435 1 180 . 1 1 17 17 LYS CD C 13 28.533 . . 1 . . . A 107 LYS CD . 17435 1 181 . 1 1 17 17 LYS CE C 13 42.542 . . 1 . . . A 107 LYS CE . 17435 1 182 . 1 1 17 17 LYS N N 15 130.046 . . 1 . . . A 107 LYS N . 17435 1 183 . 1 1 18 18 THR H H 1 8.118 . . 1 . . . A 108 THR H . 17435 1 184 . 1 1 18 18 THR HA H 1 5.544 . . 1 . . . A 108 THR HA . 17435 1 185 . 1 1 18 18 THR HB H 1 4.284 . . 1 . . . A 108 THR HB . 17435 1 186 . 1 1 18 18 THR HG21 H 1 1.186 . . 1 . . . A 108 THR HG21 . 17435 1 187 . 1 1 18 18 THR HG22 H 1 1.186 . . 1 . . . A 108 THR HG21 . 17435 1 188 . 1 1 18 18 THR HG23 H 1 1.186 . . 1 . . . A 108 THR HG21 . 17435 1 189 . 1 1 18 18 THR CA C 13 59.786 . . 1 . . . A 108 THR CA . 17435 1 190 . 1 1 18 18 THR CB C 13 72.347 . . 1 . . . A 108 THR CB . 17435 1 191 . 1 1 18 18 THR CG2 C 13 21.410 . . 1 . . . A 108 THR CG2 . 17435 1 192 . 1 1 18 18 THR N N 15 108.872 . . 1 . . . A 108 THR N . 17435 1 193 . 1 1 19 19 TRP H H 1 9.252 . . 1 . . . A 109 TRP H . 17435 1 194 . 1 1 19 19 TRP HA H 1 5.710 . . 1 . . . A 109 TRP HA . 17435 1 195 . 1 1 19 19 TRP HB2 H 1 3.243 . . 2 . . . A 109 TRP HB2 . 17435 1 196 . 1 1 19 19 TRP HB3 H 1 3.421 . . 2 . . . A 109 TRP HB3 . 17435 1 197 . 1 1 19 19 TRP HD1 H 1 7.992 . . 1 . . . A 109 TRP HD1 . 17435 1 198 . 1 1 19 19 TRP HE1 H 1 10.260 . . 1 . . . A 109 TRP HE1 . 17435 1 199 . 1 1 19 19 TRP HE3 H 1 6.888 . . 1 . . . A 109 TRP HE3 . 17435 1 200 . 1 1 19 19 TRP HZ2 H 1 6.995 . . 4 . . . A 109 TRP HZ2 . 17435 1 201 . 1 1 19 19 TRP HZ3 H 1 6.514 . . 4 . . . A 109 TRP HZ3 . 17435 1 202 . 1 1 19 19 TRP HH2 H 1 7.038 . . 1 . . . A 109 TRP HH2 . 17435 1 203 . 1 1 19 19 TRP CA C 13 55.374 . . 1 . . . A 109 TRP CA . 17435 1 204 . 1 1 19 19 TRP CB C 13 32.731 . . 1 . . . A 109 TRP CB . 17435 1 205 . 1 1 19 19 TRP CD1 C 13 128.202 . . 1 . . . A 109 TRP CD1 . 17435 1 206 . 1 1 19 19 TRP CE3 C 13 119.998 . . 1 . . . A 109 TRP CE3 . 17435 1 207 . 1 1 19 19 TRP CZ2 C 13 116.248 . . 4 . . . A 109 TRP CZ2 . 17435 1 208 . 1 1 19 19 TRP CZ3 C 13 122.577 . . 4 . . . A 109 TRP CZ3 . 17435 1 209 . 1 1 19 19 TRP CH2 C 13 126.093 . . 1 . . . A 109 TRP CH2 . 17435 1 210 . 1 1 19 19 TRP N N 15 122.234 . . 1 . . . A 109 TRP N . 17435 1 211 . 1 1 19 19 TRP NE1 N 15 133.707 . . 1 . . . A 109 TRP NE1 . 17435 1 212 . 1 1 20 20 THR H H 1 8.373 . . 1 . . . A 110 THR H . 17435 1 213 . 1 1 20 20 THR HA H 1 4.372 . . 1 . . . A 110 THR HA . 17435 1 214 . 1 1 20 20 THR HB H 1 4.359 . . 1 . . . A 110 THR HB . 17435 1 215 . 1 1 20 20 THR HG21 H 1 1.319 . . 1 . . . A 110 THR HG21 . 17435 1 216 . 1 1 20 20 THR HG22 H 1 1.319 . . 1 . . . A 110 THR HG21 . 17435 1 217 . 1 1 20 20 THR HG23 H 1 1.319 . . 1 . . . A 110 THR HG21 . 17435 1 218 . 1 1 20 20 THR CA C 13 62.659 . . 1 . . . A 110 THR CA . 17435 1 219 . 1 1 20 20 THR CB C 13 70.533 . . 1 . . . A 110 THR CB . 17435 1 220 . 1 1 20 20 THR CG2 C 13 21.777 . . 1 . . . A 110 THR CG2 . 17435 1 221 . 1 1 20 20 THR N N 15 120.040 . . 1 . . . A 110 THR N . 17435 1 222 . 1 1 21 21 GLY HA2 H 1 0.970 . . 2 . . . A 111 GLY HA2 . 17435 1 223 . 1 1 21 21 GLY HA3 H 1 3.695 . . 2 . . . A 111 GLY HA3 . 17435 1 224 . 1 1 21 21 GLY CA C 13 44.525 . . 1 . . . A 111 GLY CA . 17435 1 225 . 1 1 22 22 GLN H H 1 7.156 . . 1 . . . A 112 GLN H . 17435 1 226 . 1 1 22 22 GLN HA H 1 4.506 . . 1 . . . A 112 GLN HA . 17435 1 227 . 1 1 22 22 GLN HB2 H 1 1.843 . . 2 . . . A 112 GLN HB2 . 17435 1 228 . 1 1 22 22 GLN HB3 H 1 2.075 . . 2 . . . A 112 GLN HB3 . 17435 1 229 . 1 1 22 22 GLN HG2 H 1 2.203 . . 2 . . . A 112 GLN HG2 . 17435 1 230 . 1 1 22 22 GLN HG3 H 1 2.203 . . 2 . . . A 112 GLN HG3 . 17435 1 231 . 1 1 22 22 GLN HE21 H 1 7.496 . . 2 . . . A 112 GLN HE21 . 17435 1 232 . 1 1 22 22 GLN HE22 H 1 6.863 . . 2 . . . A 112 GLN HE22 . 17435 1 233 . 1 1 22 22 GLN CA C 13 54.637 . . 1 . . . A 112 GLN CA . 17435 1 234 . 1 1 22 22 GLN CB C 13 30.541 . . 1 . . . A 112 GLN CB . 17435 1 235 . 1 1 22 22 GLN CG C 13 33.783 . . 1 . . . A 112 GLN CG . 17435 1 236 . 1 1 22 22 GLN N N 15 118.640 . . 1 . . . A 112 GLN N . 17435 1 237 . 1 1 22 22 GLN NE2 N 15 113.313 . . 1 . . . A 112 GLN NE2 . 17435 1 238 . 1 1 23 23 GLY H H 1 8.810 . . 1 . . . A 113 GLY H . 17435 1 239 . 1 1 23 23 GLY HA2 H 1 3.814 . . 2 . . . A 113 GLY HA2 . 17435 1 240 . 1 1 23 23 GLY HA3 H 1 4.273 . . 2 . . . A 113 GLY HA3 . 17435 1 241 . 1 1 23 23 GLY CA C 13 44.996 . . 1 . . . A 113 GLY CA . 17435 1 242 . 1 1 23 23 GLY N N 15 112.547 . . 1 . . . A 113 GLY N . 17435 1 243 . 1 1 24 24 ARG H H 1 8.412 . . 1 . . . A 114 ARG H . 17435 1 244 . 1 1 24 24 ARG HA H 1 4.144 . . 1 . . . A 114 ARG HA . 17435 1 245 . 1 1 24 24 ARG HB2 H 1 1.685 . . 2 . . . A 114 ARG HB2 . 17435 1 246 . 1 1 24 24 ARG HB3 H 1 1.685 . . 2 . . . A 114 ARG HB3 . 17435 1 247 . 1 1 24 24 ARG HG2 H 1 1.675 . . 2 . . . A 114 ARG HG2 . 17435 1 248 . 1 1 24 24 ARG HG3 H 1 1.596 . . 2 . . . A 114 ARG HG3 . 17435 1 249 . 1 1 24 24 ARG HD2 H 1 3.168 . . 2 . . . A 114 ARG HD2 . 17435 1 250 . 1 1 24 24 ARG HD3 H 1 3.168 . . 2 . . . A 114 ARG HD3 . 17435 1 251 . 1 1 24 24 ARG CA C 13 56.298 . . 1 . . . A 114 ARG CA . 17435 1 252 . 1 1 24 24 ARG CB C 13 30.531 . . 1 . . . A 114 ARG CB . 17435 1 253 . 1 1 24 24 ARG CG C 13 27.036 . . 1 . . . A 114 ARG CG . 17435 1 254 . 1 1 24 24 ARG CD C 13 43.533 . . 1 . . . A 114 ARG CD . 17435 1 255 . 1 1 24 24 ARG N N 15 122.421 . . 1 . . . A 114 ARG N . 17435 1 256 . 1 1 25 25 THR H H 1 8.297 . . 1 . . . A 115 THR H . 17435 1 257 . 1 1 25 25 THR HA H 1 3.285 . . 1 . . . A 115 THR HA . 17435 1 258 . 1 1 25 25 THR HB H 1 3.533 . . 1 . . . A 115 THR HB . 17435 1 259 . 1 1 25 25 THR HG21 H 1 0.706 . . 1 . . . A 115 THR HG21 . 17435 1 260 . 1 1 25 25 THR HG22 H 1 0.706 . . 1 . . . A 115 THR HG21 . 17435 1 261 . 1 1 25 25 THR HG23 H 1 0.706 . . 1 . . . A 115 THR HG21 . 17435 1 262 . 1 1 25 25 THR CA C 13 60.781 . . 1 . . . A 115 THR CA . 17435 1 263 . 1 1 25 25 THR CB C 13 69.441 . . 1 . . . A 115 THR CB . 17435 1 264 . 1 1 25 25 THR CG2 C 13 21.279 . . 1 . . . A 115 THR CG2 . 17435 1 265 . 1 1 25 25 THR N N 15 122.877 . . 1 . . . A 115 THR N . 17435 1 266 . 1 1 26 26 PRO HA H 1 3.843 . . 1 . . . A 116 PRO HA . 17435 1 267 . 1 1 26 26 PRO HB2 H 1 0.534 . . 2 . . . A 116 PRO HB2 . 17435 1 268 . 1 1 26 26 PRO HB3 H 1 1.852 . . 2 . . . A 116 PRO HB3 . 17435 1 269 . 1 1 26 26 PRO HG2 H 1 1.198 . . 2 . . . A 116 PRO HG2 . 17435 1 270 . 1 1 26 26 PRO HG3 H 1 0.858 . . 2 . . . A 116 PRO HG3 . 17435 1 271 . 1 1 26 26 PRO HD2 H 1 1.744 . . 2 . . . A 116 PRO HD2 . 17435 1 272 . 1 1 26 26 PRO HD3 H 1 1.491 . . 2 . . . A 116 PRO HD3 . 17435 1 273 . 1 1 26 26 PRO CA C 13 62.532 . . 1 . . . A 116 PRO CA . 17435 1 274 . 1 1 26 26 PRO CB C 13 31.788 . . 1 . . . A 116 PRO CB . 17435 1 275 . 1 1 26 26 PRO CG C 13 27.290 . . 1 . . . A 116 PRO CG . 17435 1 276 . 1 1 26 26 PRO CD C 13 49.029 . . 1 . . . A 116 PRO CD . 17435 1 277 . 1 1 27 27 ALA H H 1 8.570 . . 1 . . . A 117 ALA H . 17435 1 278 . 1 1 27 27 ALA HA H 1 3.760 . . 1 . . . A 117 ALA HA . 17435 1 279 . 1 1 27 27 ALA HB1 H 1 1.408 . . 1 . . . A 117 ALA HB1 . 17435 1 280 . 1 1 27 27 ALA HB2 H 1 1.408 . . 1 . . . A 117 ALA HB1 . 17435 1 281 . 1 1 27 27 ALA HB3 H 1 1.408 . . 1 . . . A 117 ALA HB1 . 17435 1 282 . 1 1 27 27 ALA CA C 13 55.859 . . 1 . . . A 117 ALA CA . 17435 1 283 . 1 1 27 27 ALA CB C 13 18.240 . . 1 . . . A 117 ALA CB . 17435 1 284 . 1 1 27 27 ALA N N 15 129.535 . . 1 . . . A 117 ALA N . 17435 1 285 . 1 1 28 28 VAL H H 1 8.342 . . 1 . . . A 118 VAL H . 17435 1 286 . 1 1 28 28 VAL HA H 1 3.588 . . 1 . . . A 118 VAL HA . 17435 1 287 . 1 1 28 28 VAL HB H 1 1.557 . . 1 . . . A 118 VAL HB . 17435 1 288 . 1 1 28 28 VAL HG11 H 1 1.000 . . 2 . . . A 118 VAL HG11 . 17435 1 289 . 1 1 28 28 VAL HG12 H 1 1.000 . . 2 . . . A 118 VAL HG11 . 17435 1 290 . 1 1 28 28 VAL HG13 H 1 1.000 . . 2 . . . A 118 VAL HG11 . 17435 1 291 . 1 1 28 28 VAL HG21 H 1 1.149 . . 2 . . . A 118 VAL HG21 . 17435 1 292 . 1 1 28 28 VAL HG22 H 1 1.149 . . 2 . . . A 118 VAL HG21 . 17435 1 293 . 1 1 28 28 VAL HG23 H 1 1.149 . . 2 . . . A 118 VAL HG21 . 17435 1 294 . 1 1 28 28 VAL CA C 13 66.205 . . 1 . . . A 118 VAL CA . 17435 1 295 . 1 1 28 28 VAL CB C 13 32.408 . . 1 . . . A 118 VAL CB . 17435 1 296 . 1 1 28 28 VAL CG1 C 13 21.041 . . 1 . . . A 118 VAL CG1 . 17435 1 297 . 1 1 28 28 VAL CG2 C 13 22.541 . . 1 . . . A 118 VAL CG2 . 17435 1 298 . 1 1 28 28 VAL N N 15 115.882 . . 1 . . . A 118 VAL N . 17435 1 299 . 1 1 29 29 ILE H H 1 6.065 . . 1 . . . A 119 ILE H . 17435 1 300 . 1 1 29 29 ILE HA H 1 2.994 . . 1 . . . A 119 ILE HA . 17435 1 301 . 1 1 29 29 ILE HB H 1 0.887 . . 1 . . . A 119 ILE HB . 17435 1 302 . 1 1 29 29 ILE HG12 H 1 0.334 . . 1 . . . A 119 ILE HG12 . 17435 1 303 . 1 1 29 29 ILE HG13 H 1 -0.704 . . 1 . . . A 119 ILE HG13 . 17435 1 304 . 1 1 29 29 ILE HG21 H 1 0.150 . . 1 . . . A 119 ILE HG21 . 17435 1 305 . 1 1 29 29 ILE HG22 H 1 0.150 . . 1 . . . A 119 ILE HG21 . 17435 1 306 . 1 1 29 29 ILE HG23 H 1 0.150 . . 1 . . . A 119 ILE HG21 . 17435 1 307 . 1 1 29 29 ILE HD11 H 1 0.103 . . 1 . . . A 119 ILE HD11 . 17435 1 308 . 1 1 29 29 ILE HD12 H 1 0.103 . . 1 . . . A 119 ILE HD11 . 17435 1 309 . 1 1 29 29 ILE HD13 H 1 0.103 . . 1 . . . A 119 ILE HD11 . 17435 1 310 . 1 1 29 29 ILE CA C 13 64.671 . . 1 . . . A 119 ILE CA . 17435 1 311 . 1 1 29 29 ILE CB C 13 37.137 . . 1 . . . A 119 ILE CB . 17435 1 312 . 1 1 29 29 ILE CG1 C 13 27.287 . . 1 . . . A 119 ILE CG1 . 17435 1 313 . 1 1 29 29 ILE CG2 C 13 16.041 . . 1 . . . A 119 ILE CG2 . 17435 1 314 . 1 1 29 29 ILE CD1 C 13 12.659 . . 1 . . . A 119 ILE CD1 . 17435 1 315 . 1 1 29 29 ILE N N 15 119.877 . . 1 . . . A 119 ILE N . 17435 1 316 . 1 1 30 30 LYS H H 1 7.731 . . 1 . . . A 120 LYS H . 17435 1 317 . 1 1 30 30 LYS HA H 1 3.793 . . 1 . . . A 120 LYS HA . 17435 1 318 . 1 1 30 30 LYS HB2 H 1 1.339 . . 2 . . . A 120 LYS HB2 . 17435 1 319 . 1 1 30 30 LYS HB3 H 1 1.691 . . 2 . . . A 120 LYS HB3 . 17435 1 320 . 1 1 30 30 LYS HG2 H 1 1.303 . . 2 . . . A 120 LYS HG2 . 17435 1 321 . 1 1 30 30 LYS HG3 H 1 1.253 . . 2 . . . A 120 LYS HG3 . 17435 1 322 . 1 1 30 30 LYS HD2 H 1 1.510 . . 2 . . . A 120 LYS HD2 . 17435 1 323 . 1 1 30 30 LYS HD3 H 1 1.510 . . 2 . . . A 120 LYS HD3 . 17435 1 324 . 1 1 30 30 LYS HE2 H 1 2.948 . . 2 . . . A 120 LYS HE2 . 17435 1 325 . 1 1 30 30 LYS HE3 H 1 2.948 . . 2 . . . A 120 LYS HE3 . 17435 1 326 . 1 1 30 30 LYS CA C 13 59.532 . . 1 . . . A 120 LYS CA . 17435 1 327 . 1 1 30 30 LYS CB C 13 32.779 . . 1 . . . A 120 LYS CB . 17435 1 328 . 1 1 30 30 LYS CG C 13 24.526 . . 1 . . . A 120 LYS CG . 17435 1 329 . 1 1 30 30 LYS CD C 13 29.534 . . 1 . . . A 120 LYS CD . 17435 1 330 . 1 1 30 30 LYS CE C 13 42.030 . . 1 . . . A 120 LYS CE . 17435 1 331 . 1 1 30 30 LYS N N 15 121.541 . . 1 . . . A 120 LYS N . 17435 1 332 . 1 1 31 31 LYS H H 1 8.125 . . 1 . . . A 121 LYS H . 17435 1 333 . 1 1 31 31 LYS HA H 1 4.069 . . 1 . . . A 121 LYS HA . 17435 1 334 . 1 1 31 31 LYS HB2 H 1 1.751 . . 2 . . . A 121 LYS HB2 . 17435 1 335 . 1 1 31 31 LYS HB3 H 1 1.751 . . 2 . . . A 121 LYS HB3 . 17435 1 336 . 1 1 31 31 LYS HG2 H 1 1.438 . . 2 . . . A 121 LYS HG2 . 17435 1 337 . 1 1 31 31 LYS HG3 H 1 1.438 . . 2 . . . A 121 LYS HG3 . 17435 1 338 . 1 1 31 31 LYS HD2 H 1 1.635 . . 2 . . . A 121 LYS HD2 . 17435 1 339 . 1 1 31 31 LYS HD3 H 1 1.635 . . 2 . . . A 121 LYS HD3 . 17435 1 340 . 1 1 31 31 LYS HE2 H 1 2.951 . . 2 . . . A 121 LYS HE2 . 17435 1 341 . 1 1 31 31 LYS HE3 H 1 2.951 . . 2 . . . A 121 LYS HE3 . 17435 1 342 . 1 1 31 31 LYS CA C 13 59.281 . . 1 . . . A 121 LYS CA . 17435 1 343 . 1 1 31 31 LYS CB C 13 32.658 . . 1 . . . A 121 LYS CB . 17435 1 344 . 1 1 31 31 LYS CG C 13 24.779 . . 1 . . . A 121 LYS CG . 17435 1 345 . 1 1 31 31 LYS CD C 13 29.533 . . 1 . . . A 121 LYS CD . 17435 1 346 . 1 1 31 31 LYS CE C 13 42.030 . . 1 . . . A 121 LYS CE . 17435 1 347 . 1 1 31 31 LYS N N 15 118.375 . . 1 . . . A 121 LYS N . 17435 1 348 . 1 1 32 32 ALA H H 1 7.502 . . 1 . . . A 122 ALA H . 17435 1 349 . 1 1 32 32 ALA HA H 1 4.243 . . 1 . . . A 122 ALA HA . 17435 1 350 . 1 1 32 32 ALA HB1 H 1 1.667 . . 1 . . . A 122 ALA HB1 . 17435 1 351 . 1 1 32 32 ALA HB2 H 1 1.667 . . 1 . . . A 122 ALA HB1 . 17435 1 352 . 1 1 32 32 ALA HB3 H 1 1.667 . . 1 . . . A 122 ALA HB1 . 17435 1 353 . 1 1 32 32 ALA CA C 13 55.119 . . 1 . . . A 122 ALA CA . 17435 1 354 . 1 1 32 32 ALA CB C 13 18.787 . . 1 . . . A 122 ALA CB . 17435 1 355 . 1 1 32 32 ALA N N 15 122.177 . . 1 . . . A 122 ALA N . 17435 1 356 . 1 1 33 33 MET H H 1 8.349 . . 1 . . . A 123 MET H . 17435 1 357 . 1 1 33 33 MET HA H 1 4.433 . . 1 . . . A 123 MET HA . 17435 1 358 . 1 1 33 33 MET HB2 H 1 2.182 . . 2 . . . A 123 MET HB2 . 17435 1 359 . 1 1 33 33 MET HB3 H 1 2.182 . . 2 . . . A 123 MET HB3 . 17435 1 360 . 1 1 33 33 MET HG2 H 1 2.308 . . 2 . . . A 123 MET HG2 . 17435 1 361 . 1 1 33 33 MET HG3 H 1 2.696 . . 2 . . . A 123 MET HG3 . 17435 1 362 . 1 1 33 33 MET HE1 H 1 2.075 . . 1 . . . A 123 MET HE1 . 17435 1 363 . 1 1 33 33 MET HE2 H 1 2.075 . . 1 . . . A 123 MET HE1 . 17435 1 364 . 1 1 33 33 MET HE3 H 1 2.075 . . 1 . . . A 123 MET HE1 . 17435 1 365 . 1 1 33 33 MET CA C 13 58.927 . . 1 . . . A 123 MET CA . 17435 1 366 . 1 1 33 33 MET CB C 13 33.599 . . 1 . . . A 123 MET CB . 17435 1 367 . 1 1 33 33 MET CG C 13 31.029 . . 1 . . . A 123 MET CG . 17435 1 368 . 1 1 33 33 MET CE C 13 16.537 . . 1 . . . A 123 MET CE . 17435 1 369 . 1 1 33 33 MET N N 15 118.495 . . 1 . . . A 123 MET N . 17435 1 370 . 1 1 34 34 GLU H H 1 8.268 . . 1 . . . A 124 GLU H . 17435 1 371 . 1 1 34 34 GLU HA H 1 4.143 . . 1 . . . A 124 GLU HA . 17435 1 372 . 1 1 34 34 GLU HB2 H 1 2.063 . . 2 . . . A 124 GLU HB2 . 17435 1 373 . 1 1 34 34 GLU HB3 H 1 2.142 . . 2 . . . A 124 GLU HB3 . 17435 1 374 . 1 1 34 34 GLU HG2 H 1 2.295 . . 2 . . . A 124 GLU HG2 . 17435 1 375 . 1 1 34 34 GLU HG3 H 1 2.524 . . 2 . . . A 124 GLU HG3 . 17435 1 376 . 1 1 34 34 GLU CA C 13 59.053 . . 1 . . . A 124 GLU CA . 17435 1 377 . 1 1 34 34 GLU CB C 13 30.536 . . 1 . . . A 124 GLU CB . 17435 1 378 . 1 1 34 34 GLU CG C 13 36.566 . . 1 . . . A 124 GLU CG . 17435 1 379 . 1 1 34 34 GLU N N 15 118.535 . . 1 . . . A 124 GLU N . 17435 1 380 . 1 1 35 35 GLU H H 1 8.842 . . 1 . . . A 125 GLU H . 17435 1 381 . 1 1 35 35 GLU HA H 1 4.471 . . 1 . . . A 125 GLU HA . 17435 1 382 . 1 1 35 35 GLU HB2 H 1 2.122 . . 2 . . . A 125 GLU HB2 . 17435 1 383 . 1 1 35 35 GLU HB3 H 1 2.122 . . 2 . . . A 125 GLU HB3 . 17435 1 384 . 1 1 35 35 GLU HG2 H 1 2.461 . . 2 . . . A 125 GLU HG2 . 17435 1 385 . 1 1 35 35 GLU HG3 H 1 2.292 . . 2 . . . A 125 GLU HG3 . 17435 1 386 . 1 1 35 35 GLU CA C 13 57.530 . . 1 . . . A 125 GLU CA . 17435 1 387 . 1 1 35 35 GLU CB C 13 31.258 . . 1 . . . A 125 GLU CB . 17435 1 388 . 1 1 35 35 GLU CG C 13 36.784 . . 1 . . . A 125 GLU CG . 17435 1 389 . 1 1 35 35 GLU N N 15 115.844 . . 1 . . . A 125 GLU N . 17435 1 390 . 1 1 36 36 GLN H H 1 7.524 . . 1 . . . A 126 GLN H . 17435 1 391 . 1 1 36 36 GLN HA H 1 4.729 . . 1 . . . A 126 GLN HA . 17435 1 392 . 1 1 36 36 GLN HB2 H 1 2.449 . . 2 . . . A 126 GLN HB2 . 17435 1 393 . 1 1 36 36 GLN HB3 H 1 2.338 . . 2 . . . A 126 GLN HB3 . 17435 1 394 . 1 1 36 36 GLN HG2 H 1 2.449 . . 2 . . . A 126 GLN HG2 . 17435 1 395 . 1 1 36 36 GLN HG3 H 1 2.355 . . 2 . . . A 126 GLN HG3 . 17435 1 396 . 1 1 36 36 GLN HE21 H 1 7.700 . . 2 . . . A 126 GLN HE21 . 17435 1 397 . 1 1 36 36 GLN HE22 H 1 6.840 . . 2 . . . A 126 GLN HE22 . 17435 1 398 . 1 1 36 36 GLN CA C 13 55.221 . . 1 . . . A 126 GLN CA . 17435 1 399 . 1 1 36 36 GLN CB C 13 30.260 . . 1 . . . A 126 GLN CB . 17435 1 400 . 1 1 36 36 GLN CG C 13 34.042 . . 1 . . . A 126 GLN CG . 17435 1 401 . 1 1 36 36 GLN N N 15 114.893 . . 1 . . . A 126 GLN N . 17435 1 402 . 1 1 36 36 GLN NE2 N 15 112.520 . . 1 . . . A 126 GLN NE2 . 17435 1 403 . 1 1 37 37 GLY H H 1 7.756 . . 1 . . . A 127 GLY H . 17435 1 404 . 1 1 37 37 GLY HA2 H 1 3.992 . . 2 . . . A 127 GLY HA2 . 17435 1 405 . 1 1 37 37 GLY HA3 H 1 3.992 . . 2 . . . A 127 GLY HA3 . 17435 1 406 . 1 1 37 37 GLY CA C 13 46.759 . . 1 . . . A 127 GLY CA . 17435 1 407 . 1 1 37 37 GLY N N 15 109.159 . . 1 . . . A 127 GLY N . 17435 1 408 . 1 1 38 38 LYS H H 1 7.406 . . 1 . . . A 128 LYS H . 17435 1 409 . 1 1 38 38 LYS HA H 1 4.449 . . 1 . . . A 128 LYS HA . 17435 1 410 . 1 1 38 38 LYS HB2 H 1 1.431 . . 2 . . . A 128 LYS HB2 . 17435 1 411 . 1 1 38 38 LYS HB3 H 1 2.080 . . 2 . . . A 128 LYS HB3 . 17435 1 412 . 1 1 38 38 LYS HG2 H 1 1.531 . . 2 . . . A 128 LYS HG2 . 17435 1 413 . 1 1 38 38 LYS HG3 H 1 1.380 . . 2 . . . A 128 LYS HG3 . 17435 1 414 . 1 1 38 38 LYS HD2 H 1 1.572 . . 2 . . . A 128 LYS HD2 . 17435 1 415 . 1 1 38 38 LYS HD3 H 1 1.572 . . 2 . . . A 128 LYS HD3 . 17435 1 416 . 1 1 38 38 LYS HE2 H 1 2.916 . . 2 . . . A 128 LYS HE2 . 17435 1 417 . 1 1 38 38 LYS HE3 H 1 2.835 . . 2 . . . A 128 LYS HE3 . 17435 1 418 . 1 1 38 38 LYS CA C 13 55.385 . . 1 . . . A 128 LYS CA . 17435 1 419 . 1 1 38 38 LYS CB C 13 33.213 . . 1 . . . A 128 LYS CB . 17435 1 420 . 1 1 38 38 LYS CG C 13 25.551 . . 1 . . . A 128 LYS CG . 17435 1 421 . 1 1 38 38 LYS CD C 13 28.414 . . 1 . . . A 128 LYS CD . 17435 1 422 . 1 1 38 38 LYS CE C 13 42.044 . . 1 . . . A 128 LYS CE . 17435 1 423 . 1 1 38 38 LYS N N 15 118.185 . . 1 . . . A 128 LYS N . 17435 1 424 . 1 1 39 39 GLN H H 1 9.024 . . 1 . . . A 129 GLN H . 17435 1 425 . 1 1 39 39 GLN HA H 1 4.728 . . 1 . . . A 129 GLN HA . 17435 1 426 . 1 1 39 39 GLN HB2 H 1 1.881 . . 2 . . . A 129 GLN HB2 . 17435 1 427 . 1 1 39 39 GLN HB3 H 1 2.485 . . 2 . . . A 129 GLN HB3 . 17435 1 428 . 1 1 39 39 GLN HG2 H 1 2.480 . . 2 . . . A 129 GLN HG2 . 17435 1 429 . 1 1 39 39 GLN HG3 H 1 2.480 . . 2 . . . A 129 GLN HG3 . 17435 1 430 . 1 1 39 39 GLN HE21 H 1 7.571 . . 2 . . . A 129 GLN HE21 . 17435 1 431 . 1 1 39 39 GLN HE22 H 1 6.793 . . 2 . . . A 129 GLN HE22 . 17435 1 432 . 1 1 39 39 GLN CA C 13 53.755 . . 1 . . . A 129 GLN CA . 17435 1 433 . 1 1 39 39 GLN CB C 13 31.346 . . 1 . . . A 129 GLN CB . 17435 1 434 . 1 1 39 39 GLN CG C 13 33.939 . . 1 . . . A 129 GLN CG . 17435 1 435 . 1 1 39 39 GLN N N 15 119.297 . . 1 . . . A 129 GLN N . 17435 1 436 . 1 1 39 39 GLN NE2 N 15 113.550 . . 1 . . . A 129 GLN NE2 . 17435 1 437 . 1 1 40 40 LEU H H 1 9.016 . . 1 . . . A 130 LEU H . 17435 1 438 . 1 1 40 40 LEU HA H 1 4.179 . . 1 . . . A 130 LEU HA . 17435 1 439 . 1 1 40 40 LEU HB2 H 1 1.747 . . 2 . . . A 130 LEU HB2 . 17435 1 440 . 1 1 40 40 LEU HB3 H 1 1.688 . . 2 . . . A 130 LEU HB3 . 17435 1 441 . 1 1 40 40 LEU HG H 1 1.665 . . 1 . . . A 130 LEU HG . 17435 1 442 . 1 1 40 40 LEU HD11 H 1 0.731 . . 2 . . . A 130 LEU HD11 . 17435 1 443 . 1 1 40 40 LEU HD12 H 1 0.731 . . 2 . . . A 130 LEU HD11 . 17435 1 444 . 1 1 40 40 LEU HD13 H 1 0.731 . . 2 . . . A 130 LEU HD11 . 17435 1 445 . 1 1 40 40 LEU HD21 H 1 0.778 . . 2 . . . A 130 LEU HD21 . 17435 1 446 . 1 1 40 40 LEU HD22 H 1 0.778 . . 2 . . . A 130 LEU HD21 . 17435 1 447 . 1 1 40 40 LEU HD23 H 1 0.778 . . 2 . . . A 130 LEU HD21 . 17435 1 448 . 1 1 40 40 LEU CA C 13 59.071 . . 1 . . . A 130 LEU CA . 17435 1 449 . 1 1 40 40 LEU CB C 13 41.111 . . 1 . . . A 130 LEU CB . 17435 1 450 . 1 1 40 40 LEU CG C 13 27.038 . . 1 . . . A 130 LEU CG . 17435 1 451 . 1 1 40 40 LEU CD1 C 13 23.787 . . 1 . . . A 130 LEU CD1 . 17435 1 452 . 1 1 40 40 LEU CD2 C 13 24.790 . . 1 . . . A 130 LEU CD2 . 17435 1 453 . 1 1 40 40 LEU N N 15 125.107 . . 1 . . . A 130 LEU N . 17435 1 454 . 1 1 41 41 GLU H H 1 8.892 . . 1 . . . A 131 GLU H . 17435 1 455 . 1 1 41 41 GLU HA H 1 4.203 . . 1 . . . A 131 GLU HA . 17435 1 456 . 1 1 41 41 GLU HB2 H 1 2.117 . . 2 . . . A 131 GLU HB2 . 17435 1 457 . 1 1 41 41 GLU HB3 H 1 2.117 . . 2 . . . A 131 GLU HB3 . 17435 1 458 . 1 1 41 41 GLU HG2 H 1 2.481 . . 2 . . . A 131 GLU HG2 . 17435 1 459 . 1 1 41 41 GLU HG3 H 1 2.391 . . 2 . . . A 131 GLU HG3 . 17435 1 460 . 1 1 41 41 GLU CA C 13 59.537 . . 1 . . . A 131 GLU CA . 17435 1 461 . 1 1 41 41 GLU CB C 13 29.052 . . 1 . . . A 131 GLU CB . 17435 1 462 . 1 1 41 41 GLU CG C 13 37.040 . . 1 . . . A 131 GLU CG . 17435 1 463 . 1 1 41 41 GLU N N 15 114.718 . . 1 . . . A 131 GLU N . 17435 1 464 . 1 1 42 42 ASP H H 1 8.039 . . 1 . . . A 132 ASP H . 17435 1 465 . 1 1 42 42 ASP HA H 1 4.467 . . 1 . . . A 132 ASP HA . 17435 1 466 . 1 1 42 42 ASP HB2 H 1 2.430 . . 2 . . . A 132 ASP HB2 . 17435 1 467 . 1 1 42 42 ASP HB3 H 1 2.769 . . 2 . . . A 132 ASP HB3 . 17435 1 468 . 1 1 42 42 ASP CA C 13 57.183 . . 1 . . . A 132 ASP CA . 17435 1 469 . 1 1 42 42 ASP CB C 13 40.593 . . 1 . . . A 132 ASP CB . 17435 1 470 . 1 1 42 42 ASP N N 15 119.959 . . 1 . . . A 132 ASP N . 17435 1 471 . 1 1 43 43 PHE H H 1 8.424 . . 1 . . . A 133 PHE H . 17435 1 472 . 1 1 43 43 PHE HA H 1 4.861 . . 1 . . . A 133 PHE HA . 17435 1 473 . 1 1 43 43 PHE HB2 H 1 3.244 . . 2 . . . A 133 PHE HB2 . 17435 1 474 . 1 1 43 43 PHE HB3 H 1 4.082 . . 2 . . . A 133 PHE HB3 . 17435 1 475 . 1 1 43 43 PHE HD1 H 1 7.796 . . 3 . . . A 133 PHE HD1 . 17435 1 476 . 1 1 43 43 PHE HD2 H 1 7.796 . . 3 . . . A 133 PHE HD2 . 17435 1 477 . 1 1 43 43 PHE HE1 H 1 7.217 . . 3 . . . A 133 PHE HE1 . 17435 1 478 . 1 1 43 43 PHE HE2 H 1 7.217 . . 3 . . . A 133 PHE HE2 . 17435 1 479 . 1 1 43 43 PHE HZ H 1 7.061 . . 1 . . . A 133 PHE HZ . 17435 1 480 . 1 1 43 43 PHE CA C 13 58.322 . . 1 . . . A 133 PHE CA . 17435 1 481 . 1 1 43 43 PHE CB C 13 39.285 . . 1 . . . A 133 PHE CB . 17435 1 482 . 1 1 43 43 PHE CD1 C 13 133.125 . . 3 . . . A 133 PHE CD1 . 17435 1 483 . 1 1 43 43 PHE CD2 C 13 133.125 . . 3 . . . A 133 PHE CD2 . 17435 1 484 . 1 1 43 43 PHE CE1 C 13 130.781 . . 3 . . . A 133 PHE CE1 . 17435 1 485 . 1 1 43 43 PHE CE2 C 13 130.781 . . 3 . . . A 133 PHE CE2 . 17435 1 486 . 1 1 43 43 PHE CZ C 13 128.906 . . 1 . . . A 133 PHE CZ . 17435 1 487 . 1 1 43 43 PHE N N 15 117.771 . . 1 . . . A 133 PHE N . 17435 1 488 . 1 1 44 44 LEU H H 1 7.451 . . 1 . . . A 134 LEU H . 17435 1 489 . 1 1 44 44 LEU HA H 1 4.308 . . 1 . . . A 134 LEU HA . 17435 1 490 . 1 1 44 44 LEU HB2 H 1 1.572 . . 2 . . . A 134 LEU HB2 . 17435 1 491 . 1 1 44 44 LEU HB3 H 1 1.735 . . 2 . . . A 134 LEU HB3 . 17435 1 492 . 1 1 44 44 LEU HG H 1 1.735 . . 1 . . . A 134 LEU HG . 17435 1 493 . 1 1 44 44 LEU HD11 H 1 0.706 . . 2 . . . A 134 LEU HD11 . 17435 1 494 . 1 1 44 44 LEU HD12 H 1 0.706 . . 2 . . . A 134 LEU HD11 . 17435 1 495 . 1 1 44 44 LEU HD13 H 1 0.706 . . 2 . . . A 134 LEU HD11 . 17435 1 496 . 1 1 44 44 LEU HD21 H 1 0.706 . . 2 . . . A 134 LEU HD21 . 17435 1 497 . 1 1 44 44 LEU HD22 H 1 0.706 . . 2 . . . A 134 LEU HD21 . 17435 1 498 . 1 1 44 44 LEU HD23 H 1 0.706 . . 2 . . . A 134 LEU HD21 . 17435 1 499 . 1 1 44 44 LEU CA C 13 56.147 . . 1 . . . A 134 LEU CA . 17435 1 500 . 1 1 44 44 LEU CB C 13 43.534 . . 1 . . . A 134 LEU CB . 17435 1 501 . 1 1 44 44 LEU CG C 13 27.286 . . 1 . . . A 134 LEU CG . 17435 1 502 . 1 1 44 44 LEU CD1 C 13 24.825 . . 1 . . . A 134 LEU CD1 . 17435 1 503 . 1 1 44 44 LEU CD2 C 13 24.825 . . 1 . . . A 134 LEU CD2 . 17435 1 504 . 1 1 44 44 LEU N N 15 123.287 . . 1 . . . A 134 LEU N . 17435 1 505 . 1 1 45 45 ILE H H 1 8.198 . . 1 . . . A 135 ILE H . 17435 1 506 . 1 1 45 45 ILE HA H 1 3.992 . . 1 . . . A 135 ILE HA . 17435 1 507 . 1 1 45 45 ILE HB H 1 1.583 . . 1 . . . A 135 ILE HB . 17435 1 508 . 1 1 45 45 ILE HG12 H 1 1.450 . . 1 . . . A 135 ILE HG12 . 17435 1 509 . 1 1 45 45 ILE HG13 H 1 1.055 . . 1 . . . A 135 ILE HG13 . 17435 1 510 . 1 1 45 45 ILE HG21 H 1 0.853 . . 1 . . . A 135 ILE HG21 . 17435 1 511 . 1 1 45 45 ILE HG22 H 1 0.853 . . 1 . . . A 135 ILE HG21 . 17435 1 512 . 1 1 45 45 ILE HG23 H 1 0.853 . . 1 . . . A 135 ILE HG21 . 17435 1 513 . 1 1 45 45 ILE HD11 H 1 0.765 . . 1 . . . A 135 ILE HD11 . 17435 1 514 . 1 1 45 45 ILE HD12 H 1 0.765 . . 1 . . . A 135 ILE HD11 . 17435 1 515 . 1 1 45 45 ILE HD13 H 1 0.765 . . 1 . . . A 135 ILE HD11 . 17435 1 516 . 1 1 45 45 ILE CA C 13 62.532 . . 1 . . . A 135 ILE CA . 17435 1 517 . 1 1 45 45 ILE CB C 13 38.541 . . 1 . . . A 135 ILE CB . 17435 1 518 . 1 1 45 45 ILE CG1 C 13 28.780 . . 1 . . . A 135 ILE CG1 . 17435 1 519 . 1 1 45 45 ILE CG2 C 13 17.288 . . 1 . . . A 135 ILE CG2 . 17435 1 520 . 1 1 45 45 ILE CD1 C 13 13.790 . . 1 . . . A 135 ILE CD1 . 17435 1 521 . 1 1 45 45 ILE N N 15 124.873 . . 1 . . . A 135 ILE N . 17435 1 522 . 1 1 46 46 LYS H H 1 8.485 . . 1 . . . A 136 LYS H . 17435 1 523 . 1 1 46 46 LYS HA H 1 4.334 . . 1 . . . A 136 LYS HA . 17435 1 524 . 1 1 46 46 LYS HB2 H 1 1.807 . . 2 . . . A 136 LYS HB2 . 17435 1 525 . 1 1 46 46 LYS HB3 H 1 1.736 . . 2 . . . A 136 LYS HB3 . 17435 1 526 . 1 1 46 46 LYS HG2 H 1 1.408 . . 2 . . . A 136 LYS HG2 . 17435 1 527 . 1 1 46 46 LYS HG3 H 1 1.408 . . 2 . . . A 136 LYS HG3 . 17435 1 528 . 1 1 46 46 LYS HD2 H 1 1.683 . . 2 . . . A 136 LYS HD2 . 17435 1 529 . 1 1 46 46 LYS HD3 H 1 1.683 . . 2 . . . A 136 LYS HD3 . 17435 1 530 . 1 1 46 46 LYS HE2 H 1 3.022 . . 2 . . . A 136 LYS HE2 . 17435 1 531 . 1 1 46 46 LYS HE3 H 1 3.022 . . 2 . . . A 136 LYS HE3 . 17435 1 532 . 1 1 46 46 LYS CA C 13 56.273 . . 1 . . . A 136 LYS CA . 17435 1 533 . 1 1 46 46 LYS CB C 13 33.182 . . 1 . . . A 136 LYS CB . 17435 1 534 . 1 1 46 46 LYS CG C 13 24.788 . . 1 . . . A 136 LYS CG . 17435 1 535 . 1 1 46 46 LYS CD C 13 29.037 . . 1 . . . A 136 LYS CD . 17435 1 536 . 1 1 46 46 LYS CE C 13 42.280 . . 1 . . . A 136 LYS CE . 17435 1 537 . 1 1 46 46 LYS N N 15 128.039 . . 1 . . . A 136 LYS N . 17435 1 538 . 1 1 47 47 GLU H H 1 8.378 . . 1 . . . A 137 GLU H . 17435 1 539 . 1 1 47 47 GLU HA H 1 4.258 . . 1 . . . A 137 GLU HA . 17435 1 540 . 1 1 47 47 GLU HB2 H 1 1.917 . . 2 . . . A 137 GLU HB2 . 17435 1 541 . 1 1 47 47 GLU HB3 H 1 2.017 . . 2 . . . A 137 GLU HB3 . 17435 1 542 . 1 1 47 47 GLU HG2 H 1 2.262 . . 2 . . . A 137 GLU HG2 . 17435 1 543 . 1 1 47 47 GLU HG3 H 1 2.204 . . 2 . . . A 137 GLU HG3 . 17435 1 544 . 1 1 47 47 GLU CA C 13 56.589 . . 1 . . . A 137 GLU CA . 17435 1 545 . 1 1 47 47 GLU CB C 13 30.287 . . 1 . . . A 137 GLU CB . 17435 1 546 . 1 1 47 47 GLU CG C 13 36.285 . . 1 . . . A 137 GLU CG . 17435 1 547 . 1 1 47 47 GLU N N 15 122.811 . . 1 . . . A 137 GLU N . 17435 1 548 . 1 1 48 48 LEU H H 1 8.272 . . 1 . . . A 138 LEU H . 17435 1 549 . 1 1 48 48 LEU HA H 1 4.268 . . 1 . . . A 138 LEU HA . 17435 1 550 . 1 1 48 48 LEU HB2 H 1 1.596 . . 2 . . . A 138 LEU HB2 . 17435 1 551 . 1 1 48 48 LEU HB3 H 1 1.515 . . 2 . . . A 138 LEU HB3 . 17435 1 552 . 1 1 48 48 LEU HG H 1 1.602 . . 1 . . . A 138 LEU HG . 17435 1 553 . 1 1 48 48 LEU HD11 H 1 0.846 . . 2 . . . A 138 LEU HD11 . 17435 1 554 . 1 1 48 48 LEU HD12 H 1 0.846 . . 2 . . . A 138 LEU HD11 . 17435 1 555 . 1 1 48 48 LEU HD13 H 1 0.846 . . 2 . . . A 138 LEU HD11 . 17435 1 556 . 1 1 48 48 LEU HD21 H 1 0.913 . . 2 . . . A 138 LEU HD21 . 17435 1 557 . 1 1 48 48 LEU HD22 H 1 0.913 . . 2 . . . A 138 LEU HD21 . 17435 1 558 . 1 1 48 48 LEU HD23 H 1 0.913 . . 2 . . . A 138 LEU HD21 . 17435 1 559 . 1 1 48 48 LEU CA C 13 55.365 . . 1 . . . A 138 LEU CA . 17435 1 560 . 1 1 48 48 LEU CB C 13 42.532 . . 1 . . . A 138 LEU CB . 17435 1 561 . 1 1 48 48 LEU CG C 13 27.034 . . 1 . . . A 138 LEU CG . 17435 1 562 . 1 1 48 48 LEU CD1 C 13 23.532 . . 1 . . . A 138 LEU CD1 . 17435 1 563 . 1 1 48 48 LEU CD2 C 13 25.031 . . 1 . . . A 138 LEU CD2 . 17435 1 564 . 1 1 48 48 LEU N N 15 123.840 . . 1 . . . A 138 LEU N . 17435 1 565 . 1 1 49 49 GLU H H 1 8.260 . . 1 . . . A 139 GLU H . 17435 1 566 . 1 1 49 49 GLU HA H 1 4.166 . . 1 . . . A 139 GLU HA . 17435 1 567 . 1 1 49 49 GLU HB2 H 1 1.892 . . 2 . . . A 139 GLU HB2 . 17435 1 568 . 1 1 49 49 GLU HB3 H 1 1.892 . . 2 . . . A 139 GLU HB3 . 17435 1 569 . 1 1 49 49 GLU HG2 H 1 2.143 . . 2 . . . A 139 GLU HG2 . 17435 1 570 . 1 1 49 49 GLU HG3 H 1 2.143 . . 2 . . . A 139 GLU HG3 . 17435 1 571 . 1 1 49 49 GLU CA C 13 56.612 . . 1 . . . A 139 GLU CA . 17435 1 572 . 1 1 49 49 GLU CB C 13 30.526 . . 1 . . . A 139 GLU CB . 17435 1 573 . 1 1 49 49 GLU CG C 13 36.286 . . 1 . . . A 139 GLU CG . 17435 1 574 . 1 1 49 49 GLU N N 15 121.622 . . 1 . . . A 139 GLU N . 17435 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 200 17435 1 1 201 17435 1 2 207 17435 1 2 208 17435 1 stop_ save_