data_17615 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17615 _Entry.Title ; Solution Structure of RfaH carboxyterminal domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-05-02 _Entry.Accession_date 2011-05-02 _Entry.Last_release_date 2015-07-16 _Entry.Original_release_date 2015-07-16 _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 Bjoern Burmann . M. . 17615 2 Kristian Schweimer . . . 17615 3 Paul Roesch . . . 17615 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' . 17615 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Bacterial Transcription' . 17615 RfaH . 17615 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17615 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 211 17615 '15N chemical shifts' 62 17615 '1H chemical shifts' 473 17615 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2015-07-16 2011-05-02 update author 'update entry citation' 17615 1 . . 2012-07-30 2011-05-02 original author 'original release' 17615 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LCL 'BMRB Entry Tracking System' 17615 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17615 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22817892 _Citation.Full_citation . _Citation.Title ; An alpha-helix to beta-barrel domain switch transforms the transcription factor RfaH into a translation factor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Cell _Citation.Journal_name_full 'Cell Press' _Citation.Journal_volume 150 _Citation.Journal_issue 2 _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 291 _Citation.Page_last 303 _Citation.Year 2012 _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 Bjoern Burmann . M. . 17615 1 2 Kristian Schweimer . . . 17615 1 3 Paul Roesch . . . 17615 1 4 Stefan Knauer . H. . 17615 1 5 Rachel Mooney . A. . 17615 1 6 Anastasia Sevostyanova . . . 17615 1 7 Robert Landick . . . 17615 1 8 Irina Artsimovitch . . . 17615 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17615 _Assembly.ID 1 _Assembly.Name 'RfaH carboxyterminal domain' _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 RfaH 1 $RfaH A . yes native no no . . . 17615 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RfaH _Entity.Sf_category entity _Entity.Sf_framecode RfaH _Entity.Entry_ID 17615 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; GAMGPKDIVDPATPYPGDKV IITEGAFEGFQAIFTEPDGE ARSMLLLNLINKEIKHSVKN TEFRKL ; _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 66 _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 7269.401 _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 2LCL . "Solution Structure Of Rfah Carboxyterminal Domain" . . . . . 100.00 66 100.00 100.00 2.59e-39 . . . . 17615 1 2 no PDB 2OUG . "Crystal Structure Of The Rfah Transcription Factor At 2.1a Resolution" . . . . . 93.94 162 100.00 100.00 1.07e-35 . . . . 17615 1 3 no DBJ BAB38193 . "transcriptional activator RfaH [Escherichia coli O157:H7 str. Sakai]" . . . . . 93.94 162 100.00 100.00 1.07e-35 . . . . 17615 1 4 no DBJ BAE77461 . "DNA-binding transcriptional antiterminator [Escherichia coli str. K12 substr. W3110]" . . . . . 93.94 162 100.00 100.00 1.07e-35 . . . . 17615 1 5 no DBJ BAG79652 . "transcriptional activator [Escherichia coli SE11]" . . . . . 93.94 162 100.00 100.00 1.07e-35 . . . . 17615 1 6 no DBJ BAI27905 . "DNA-binding transcriptional antiterminator RfaH [Escherichia coli O26:H11 str. 11368]" . . . . . 93.94 162 100.00 100.00 1.07e-35 . . . . 17615 1 7 no DBJ BAI33028 . "DNA-binding transcriptional antiterminator RfaH [Escherichia coli O103:H2 str. 12009]" . . . . . 93.94 162 100.00 100.00 1.07e-35 . . . . 17615 1 8 no EMBL CAA46147 . "transcriptional activator of haemolysin synthesis and secretion [Escherichia coli]" . . . . . 93.94 162 100.00 100.00 1.07e-35 . . . . 17615 1 9 no EMBL CAP78305 . "Transcriptional activator rfaH [Escherichia coli LF82]" . . . . . 93.94 162 98.39 100.00 2.68e-35 . . . . 17615 1 10 no EMBL CAQ34199 . "RfaH transcriptional antiterminator [Escherichia coli BL21(DE3)]" . . . . . 93.94 162 100.00 100.00 1.07e-35 . . . . 17615 1 11 no EMBL CAR00816 . "DNA-binding transcriptional antiterminator [Escherichia coli IAI1]" . . . . . 93.94 162 100.00 100.00 1.07e-35 . . . . 17615 1 12 no EMBL CAR05481 . "DNA-binding transcriptional antiterminator [Escherichia coli S88]" . . . . . 93.94 162 98.39 100.00 2.68e-35 . . . . 17615 1 13 no GB AAA67638 . "also called sfrB, hlyT [Escherichia coli str. K-12 substr. MG1655]" . . . . . 93.94 162 100.00 100.00 1.07e-35 . . . . 17615 1 14 no GB AAA91060 . "RfaH [Escherichia coli]" . . . . . 93.94 162 100.00 100.00 1.07e-35 . . . . 17615 1 15 no GB AAC76845 . "transcription antitermination protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 93.94 162 100.00 100.00 1.07e-35 . . . . 17615 1 16 no GB AAG10071 . "transcriptional activator RfaH [Escherichia coli]" . . . . . 93.94 162 98.39 100.00 2.68e-35 . . . . 17615 1 17 no GB AAG59036 . "transcriptional activator affecting biosynthesis of lipopolysaccharide core, F pilin, and haemolysin [Escherichia coli O157:H7 " . . . . . 93.94 162 100.00 100.00 1.07e-35 . . . . 17615 1 18 no REF NP_312797 . "transcriptional activator RfaH [Escherichia coli O157:H7 str. Sakai]" . . . . . 93.94 162 100.00 100.00 1.07e-35 . . . . 17615 1 19 no REF NP_418284 . "transcription antitermination protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 93.94 162 100.00 100.00 1.07e-35 . . . . 17615 1 20 no REF NP_709646 . "transcriptional activator RfaH [Shigella flexneri 2a str. 301]" . . . . . 93.94 162 98.39 98.39 1.07e-34 . . . . 17615 1 21 no REF WP_001161073 . "transcriptional regulator [Escherichia coli]" . . . . . 93.94 162 100.00 100.00 1.29e-35 . . . . 17615 1 22 no REF WP_001192387 . "transcription antitermination protein RfaH [Escherichia coli]" . . . . . 93.94 162 100.00 100.00 9.82e-36 . . . . 17615 1 23 no SP P0AFW0 . "RecName: Full=Transcription antitermination protein RfaH" . . . . . 93.94 162 100.00 100.00 1.07e-35 . . . . 17615 1 24 no SP P0AFW1 . "RecName: Full=Transcription antitermination protein RfaH" . . . . . 93.94 162 100.00 100.00 1.07e-35 . . . . 17615 1 25 no SP Q0TAL4 . "RecName: Full=Transcription antitermination protein RfaH" . . . . . 93.94 162 98.39 100.00 2.68e-35 . . . . 17615 1 26 no SP Q8FBI4 . "RecName: Full=Transcription antitermination protein RfaH" . . . . . 93.94 162 98.39 100.00 2.68e-35 . . . . 17615 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 97 GLY . 17615 1 2 98 ALA . 17615 1 3 99 MET . 17615 1 4 100 GLY . 17615 1 5 101 PRO . 17615 1 6 102 LYS . 17615 1 7 103 ASP . 17615 1 8 104 ILE . 17615 1 9 105 VAL . 17615 1 10 106 ASP . 17615 1 11 107 PRO . 17615 1 12 108 ALA . 17615 1 13 109 THR . 17615 1 14 110 PRO . 17615 1 15 111 TYR . 17615 1 16 112 PRO . 17615 1 17 113 GLY . 17615 1 18 114 ASP . 17615 1 19 115 LYS . 17615 1 20 116 VAL . 17615 1 21 117 ILE . 17615 1 22 118 ILE . 17615 1 23 119 THR . 17615 1 24 120 GLU . 17615 1 25 121 GLY . 17615 1 26 122 ALA . 17615 1 27 123 PHE . 17615 1 28 124 GLU . 17615 1 29 125 GLY . 17615 1 30 126 PHE . 17615 1 31 127 GLN . 17615 1 32 128 ALA . 17615 1 33 129 ILE . 17615 1 34 130 PHE . 17615 1 35 131 THR . 17615 1 36 132 GLU . 17615 1 37 133 PRO . 17615 1 38 134 ASP . 17615 1 39 135 GLY . 17615 1 40 136 GLU . 17615 1 41 137 ALA . 17615 1 42 138 ARG . 17615 1 43 139 SER . 17615 1 44 140 MET . 17615 1 45 141 LEU . 17615 1 46 142 LEU . 17615 1 47 143 LEU . 17615 1 48 144 ASN . 17615 1 49 145 LEU . 17615 1 50 146 ILE . 17615 1 51 147 ASN . 17615 1 52 148 LYS . 17615 1 53 149 GLU . 17615 1 54 150 ILE . 17615 1 55 151 LYS . 17615 1 56 152 HIS . 17615 1 57 153 SER . 17615 1 58 154 VAL . 17615 1 59 155 LYS . 17615 1 60 156 ASN . 17615 1 61 157 THR . 17615 1 62 158 GLU . 17615 1 63 159 PHE . 17615 1 64 160 ARG . 17615 1 65 161 LYS . 17615 1 66 162 LEU . 17615 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 17615 1 . ALA 2 2 17615 1 . MET 3 3 17615 1 . GLY 4 4 17615 1 . PRO 5 5 17615 1 . LYS 6 6 17615 1 . ASP 7 7 17615 1 . ILE 8 8 17615 1 . VAL 9 9 17615 1 . ASP 10 10 17615 1 . PRO 11 11 17615 1 . ALA 12 12 17615 1 . THR 13 13 17615 1 . PRO 14 14 17615 1 . TYR 15 15 17615 1 . PRO 16 16 17615 1 . GLY 17 17 17615 1 . ASP 18 18 17615 1 . LYS 19 19 17615 1 . VAL 20 20 17615 1 . ILE 21 21 17615 1 . ILE 22 22 17615 1 . THR 23 23 17615 1 . GLU 24 24 17615 1 . GLY 25 25 17615 1 . ALA 26 26 17615 1 . PHE 27 27 17615 1 . GLU 28 28 17615 1 . GLY 29 29 17615 1 . PHE 30 30 17615 1 . GLN 31 31 17615 1 . ALA 32 32 17615 1 . ILE 33 33 17615 1 . PHE 34 34 17615 1 . THR 35 35 17615 1 . GLU 36 36 17615 1 . PRO 37 37 17615 1 . ASP 38 38 17615 1 . GLY 39 39 17615 1 . GLU 40 40 17615 1 . ALA 41 41 17615 1 . ARG 42 42 17615 1 . SER 43 43 17615 1 . MET 44 44 17615 1 . LEU 45 45 17615 1 . LEU 46 46 17615 1 . LEU 47 47 17615 1 . ASN 48 48 17615 1 . LEU 49 49 17615 1 . ILE 50 50 17615 1 . ASN 51 51 17615 1 . LYS 52 52 17615 1 . GLU 53 53 17615 1 . ILE 54 54 17615 1 . LYS 55 55 17615 1 . HIS 56 56 17615 1 . SER 57 57 17615 1 . VAL 58 58 17615 1 . LYS 59 59 17615 1 . ASN 60 60 17615 1 . THR 61 61 17615 1 . GLU 62 62 17615 1 . PHE 63 63 17615 1 . ARG 64 64 17615 1 . LYS 65 65 17615 1 . LEU 66 66 17615 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 17615 _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 $RfaH . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 17615 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 17615 _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 $RfaH . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . BL21-DE3 . . . 17615 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17615 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM RfaH-CTD solved in NMR-buffer' _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 RfaH-CTD '[U-99% 13C; U-99% 15N]' . . 1 $RfaH . . 0.5 . . mM . . . . 17615 1 2 HEPES 'natural abundance' . . . . . . 0.025 . . mM . . . . 17615 1 3 NaCl 'natural abundance' . . . . . . 0.05 . . mM . . . . 17615 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17615 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17615 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 17615 _Sample_condition_list.ID 1 _Sample_condition_list.Details '25 mM HEPES, 50 mM NaCl, pH 7.5' 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' 75 . mM 17615 1 pH 7.5 . pH 17615 1 pressure 1 . atm 17615 1 temperature 298 . K 17615 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17615 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17615 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17615 1 'data analysis' 17615 1 'peak picking' 17615 1 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17615 _Software.ID 2 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17615 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17615 2 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 17615 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17615 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'equipped with CryoProbe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 17615 _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 . . . 17615 1 2 spectrometer_2 Bruker Avance . 800 'equipped with CryoProbe' . . 17615 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 17615 _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 . . . . . . . . . . . . . . . . 17615 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17615 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17615 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17615 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17615 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17615 1 7 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17615 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17615 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 17615 _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 carbon' . . . . ppm 0 na direct 0.251449530 . . . . . . . . . 17615 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 17615 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0 na direct 0.101329118 . . . . . . . . . 17615 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 17615 _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 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' . . . 17615 1 3 '3D HNCACB' . . . 17615 1 4 '2D 1H-13C HSQC' . . . 17615 1 5 '3D C(CO)NH' . . . 17615 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 GLY HA2 H 1 3.76 0.03 . 2 . . . A 97 GLY HA2 . 17615 1 2 . 1 1 1 1 GLY HA3 H 1 3.76 0.03 . 2 . . . A 97 GLY HA3 . 17615 1 3 . 1 1 1 1 GLY CA C 13 43.94 0.20 . 1 . . . A 97 GLY CA . 17615 1 4 . 1 1 2 2 ALA HA H 1 4.36 0.03 . 1 . . . A 98 ALA HA . 17615 1 5 . 1 1 2 2 ALA HB1 H 1 1.40 0.03 . 1 . . . A 98 ALA HB1 . 17615 1 6 . 1 1 2 2 ALA HB2 H 1 1.40 0.03 . 1 . . . A 98 ALA HB2 . 17615 1 7 . 1 1 2 2 ALA HB3 H 1 1.40 0.03 . 1 . . . A 98 ALA HB3 . 17615 1 8 . 1 1 2 2 ALA CA C 13 52.64 0.20 . 1 . . . A 98 ALA CA . 17615 1 9 . 1 1 2 2 ALA CB C 13 19.42 0.20 . 1 . . . A 98 ALA CB . 17615 1 10 . 1 1 3 3 MET HA H 1 4.56 0.03 . 1 . . . A 99 MET HA . 17615 1 11 . 1 1 3 3 MET HB2 H 1 2.02 0.03 . 2 . . . A 99 MET HB2 . 17615 1 12 . 1 1 3 3 MET HB3 H 1 2.13 0.03 . 2 . . . A 99 MET HB3 . 17615 1 13 . 1 1 3 3 MET HG2 H 1 2.57 0.03 . 2 . . . A 99 MET HG2 . 17615 1 14 . 1 1 3 3 MET HG3 H 1 2.64 0.03 . 2 . . . A 99 MET HG3 . 17615 1 15 . 1 1 3 3 MET CA C 13 55.23 0.20 . 1 . . . A 99 MET CA . 17615 1 16 . 1 1 3 3 MET CB C 13 33.16 0.20 . 1 . . . A 99 MET CB . 17615 1 17 . 1 1 3 3 MET CG C 13 32.08 0.20 . 1 . . . A 99 MET CG . 17615 1 18 . 1 1 4 4 GLY H H 1 8.39 0.03 . 1 . . . A 100 GLY H . 17615 1 19 . 1 1 4 4 GLY HA2 H 1 4.21 0.03 . 2 . . . A 100 GLY HA2 . 17615 1 20 . 1 1 4 4 GLY HA3 H 1 4.03 0.03 . 2 . . . A 100 GLY HA3 . 17615 1 21 . 1 1 4 4 GLY CA C 13 44.61 0.20 . 1 . . . A 100 GLY CA . 17615 1 22 . 1 1 4 4 GLY N N 15 110.83 0.20 . 1 . . . A 100 GLY N . 17615 1 23 . 1 1 5 5 PRO HA H 1 4.41 0.03 . 1 . . . A 101 PRO HA . 17615 1 24 . 1 1 5 5 PRO HB2 H 1 1.95 0.03 . 2 . . . A 101 PRO HB2 . 17615 1 25 . 1 1 5 5 PRO HB3 H 1 2.32 0.03 . 2 . . . A 101 PRO HB3 . 17615 1 26 . 1 1 5 5 PRO HG2 H 1 2.03 0.03 . 2 . . . A 101 PRO HG2 . 17615 1 27 . 1 1 5 5 PRO HG3 H 1 2.03 0.03 . 2 . . . A 101 PRO HG3 . 17615 1 28 . 1 1 5 5 PRO HD2 H 1 3.64 0.03 . 2 . . . A 101 PRO HD2 . 17615 1 29 . 1 1 5 5 PRO HD3 H 1 3.64 0.03 . 2 . . . A 101 PRO HD3 . 17615 1 30 . 1 1 5 5 PRO CA C 13 63.43 0.20 . 1 . . . A 101 PRO CA . 17615 1 31 . 1 1 5 5 PRO CB C 13 32.21 0.20 . 1 . . . A 101 PRO CB . 17615 1 32 . 1 1 5 5 PRO CG C 13 27.27 0.20 . 1 . . . A 101 PRO CG . 17615 1 33 . 1 1 5 5 PRO CD C 13 49.83 0.20 . 1 . . . A 101 PRO CD . 17615 1 34 . 1 1 6 6 LYS H H 1 8.42 0.03 . 1 . . . A 102 LYS H . 17615 1 35 . 1 1 6 6 LYS HA H 1 4.32 0.03 . 1 . . . A 102 LYS HA . 17615 1 36 . 1 1 6 6 LYS HB2 H 1 1.74 0.03 . 2 . . . A 102 LYS HB2 . 17615 1 37 . 1 1 6 6 LYS HB3 H 1 1.85 0.03 . 2 . . . A 102 LYS HB3 . 17615 1 38 . 1 1 6 6 LYS HG2 H 1 1.42 0.03 . 2 . . . A 102 LYS HG2 . 17615 1 39 . 1 1 6 6 LYS HG3 H 1 1.46 0.03 . 2 . . . A 102 LYS HG3 . 17615 1 40 . 1 1 6 6 LYS HD2 H 1 1.69 0.03 . 2 . . . A 102 LYS HD2 . 17615 1 41 . 1 1 6 6 LYS HD3 H 1 1.77 0.03 . 2 . . . A 102 LYS HD3 . 17615 1 42 . 1 1 6 6 LYS HE2 H 1 3.02 0.03 . 2 . . . A 102 LYS HE2 . 17615 1 43 . 1 1 6 6 LYS HE3 H 1 3.02 0.03 . 2 . . . A 102 LYS HE3 . 17615 1 44 . 1 1 6 6 LYS CA C 13 56.26 0.20 . 1 . . . A 102 LYS CA . 17615 1 45 . 1 1 6 6 LYS CB C 13 33.00 0.20 . 1 . . . A 102 LYS CB . 17615 1 46 . 1 1 6 6 LYS CG C 13 24.75 0.20 . 1 . . . A 102 LYS CG . 17615 1 47 . 1 1 6 6 LYS CD C 13 29.00 0.20 . 1 . . . A 102 LYS CD . 17615 1 48 . 1 1 6 6 LYS CE C 13 42.01 0.20 . 1 . . . A 102 LYS CE . 17615 1 49 . 1 1 6 6 LYS N N 15 120.35 0.20 . 1 . . . A 102 LYS N . 17615 1 50 . 1 1 7 7 ASP H H 1 8.19 0.03 . 1 . . . A 103 ASP H . 17615 1 51 . 1 1 7 7 ASP HA H 1 4.59 0.03 . 1 . . . A 103 ASP HA . 17615 1 52 . 1 1 7 7 ASP HB2 H 1 2.60 0.03 . 2 . . . A 103 ASP HB2 . 17615 1 53 . 1 1 7 7 ASP HB3 H 1 2.68 0.03 . 2 . . . A 103 ASP HB3 . 17615 1 54 . 1 1 7 7 ASP CA C 13 54.55 0.20 . 1 . . . A 103 ASP CA . 17615 1 55 . 1 1 7 7 ASP CB C 13 41.31 0.20 . 1 . . . A 103 ASP CB . 17615 1 56 . 1 1 7 7 ASP N N 15 120.73 0.20 . 1 . . . A 103 ASP N . 17615 1 57 . 1 1 8 8 ILE H H 1 7.97 0.03 . 1 . . . A 104 ILE H . 17615 1 58 . 1 1 8 8 ILE HA H 1 4.17 0.03 . 1 . . . A 104 ILE HA . 17615 1 59 . 1 1 8 8 ILE HB H 1 1.85 0.03 . 1 . . . A 104 ILE HB . 17615 1 60 . 1 1 8 8 ILE HG12 H 1 1.16 0.03 . 2 . . . A 104 ILE HG12 . 17615 1 61 . 1 1 8 8 ILE HG13 H 1 1.45 0.03 . 2 . . . A 104 ILE HG13 . 17615 1 62 . 1 1 8 8 ILE HG21 H 1 0.87 0.03 . 1 . . . A 104 ILE HG21 . 17615 1 63 . 1 1 8 8 ILE HG22 H 1 0.87 0.03 . 1 . . . A 104 ILE HG22 . 17615 1 64 . 1 1 8 8 ILE HG23 H 1 0.87 0.03 . 1 . . . A 104 ILE HG23 . 17615 1 65 . 1 1 8 8 ILE HD11 H 1 0.85 0.03 . 1 . . . A 104 ILE HD11 . 17615 1 66 . 1 1 8 8 ILE HD12 H 1 0.85 0.03 . 1 . . . A 104 ILE HD12 . 17615 1 67 . 1 1 8 8 ILE HD13 H 1 0.85 0.03 . 1 . . . A 104 ILE HD13 . 17615 1 68 . 1 1 8 8 ILE CA C 13 60.95 0.20 . 1 . . . A 104 ILE CA . 17615 1 69 . 1 1 8 8 ILE CB C 13 38.84 0.20 . 1 . . . A 104 ILE CB . 17615 1 70 . 1 1 8 8 ILE CG1 C 13 27.20 0.20 . 1 . . . A 104 ILE CG1 . 17615 1 71 . 1 1 8 8 ILE CG2 C 13 17.56 0.20 . 1 . . . A 104 ILE CG2 . 17615 1 72 . 1 1 8 8 ILE CD1 C 13 12.88 0.20 . 1 . . . A 104 ILE CD1 . 17615 1 73 . 1 1 8 8 ILE N N 15 120.47 0.20 . 1 . . . A 104 ILE N . 17615 1 74 . 1 1 9 9 VAL H H 1 8.17 0.03 . 1 . . . A 105 VAL H . 17615 1 75 . 1 1 9 9 VAL HA H 1 4.09 0.03 . 1 . . . A 105 VAL HA . 17615 1 76 . 1 1 9 9 VAL HB H 1 2.01 0.03 . 1 . . . A 105 VAL HB . 17615 1 77 . 1 1 9 9 VAL HG11 H 1 0.87 0.03 . 2 . . . A 105 VAL HG11 . 17615 1 78 . 1 1 9 9 VAL HG12 H 1 0.87 0.03 . 2 . . . A 105 VAL HG12 . 17615 1 79 . 1 1 9 9 VAL HG13 H 1 0.87 0.03 . 2 . . . A 105 VAL HG13 . 17615 1 80 . 1 1 9 9 VAL HG21 H 1 0.89 0.03 . 2 . . . A 105 VAL HG21 . 17615 1 81 . 1 1 9 9 VAL HG22 H 1 0.89 0.03 . 2 . . . A 105 VAL HG22 . 17615 1 82 . 1 1 9 9 VAL HG23 H 1 0.89 0.03 . 2 . . . A 105 VAL HG23 . 17615 1 83 . 1 1 9 9 VAL CA C 13 61.97 0.20 . 1 . . . A 105 VAL CA . 17615 1 84 . 1 1 9 9 VAL CB C 13 32.92 0.20 . 1 . . . A 105 VAL CB . 17615 1 85 . 1 1 9 9 VAL CG1 C 13 21.16 0.20 . 2 . . . A 105 VAL CG1 . 17615 1 86 . 1 1 9 9 VAL CG2 C 13 20.65 0.20 . 2 . . . A 105 VAL CG2 . 17615 1 87 . 1 1 9 9 VAL N N 15 124.66 0.20 . 1 . . . A 105 VAL N . 17615 1 88 . 1 1 10 10 ASP H H 1 8.48 0.03 . 1 . . . A 106 ASP H . 17615 1 89 . 1 1 10 10 ASP HA H 1 4.87 0.03 . 1 . . . A 106 ASP HA . 17615 1 90 . 1 1 10 10 ASP HB2 H 1 2.56 0.03 . 2 . . . A 106 ASP HB2 . 17615 1 91 . 1 1 10 10 ASP HB3 H 1 2.85 0.03 . 2 . . . A 106 ASP HB3 . 17615 1 92 . 1 1 10 10 ASP CA C 13 52.03 0.20 . 1 . . . A 106 ASP CA . 17615 1 93 . 1 1 10 10 ASP CB C 13 41.59 0.20 . 1 . . . A 106 ASP CB . 17615 1 94 . 1 1 10 10 ASP N N 15 126.47 0.20 . 1 . . . A 106 ASP N . 17615 1 95 . 1 1 11 11 PRO HA H 1 4.41 0.03 . 1 . . . A 107 PRO HA . 17615 1 96 . 1 1 11 11 PRO HB2 H 1 2.01 0.03 . 2 . . . A 107 PRO HB2 . 17615 1 97 . 1 1 11 11 PRO HB3 H 1 2.30 0.03 . 2 . . . A 107 PRO HB3 . 17615 1 98 . 1 1 11 11 PRO HG2 H 1 2.02 0.03 . 2 . . . A 107 PRO HG2 . 17615 1 99 . 1 1 11 11 PRO HG3 H 1 2.02 0.03 . 2 . . . A 107 PRO HG3 . 17615 1 100 . 1 1 11 11 PRO HD2 H 1 3.87 0.03 . 2 . . . A 107 PRO HD2 . 17615 1 101 . 1 1 11 11 PRO HD3 H 1 3.89 0.03 . 2 . . . A 107 PRO HD3 . 17615 1 102 . 1 1 11 11 PRO CA C 13 63.78 0.20 . 1 . . . A 107 PRO CA . 17615 1 103 . 1 1 11 11 PRO CB C 13 32.18 0.20 . 1 . . . A 107 PRO CB . 17615 1 104 . 1 1 11 11 PRO CG C 13 27.18 0.20 . 1 . . . A 107 PRO CG . 17615 1 105 . 1 1 11 11 PRO CD C 13 51.05 0.20 . 1 . . . A 107 PRO CD . 17615 1 106 . 1 1 12 12 ALA H H 1 8.41 0.03 . 1 . . . A 108 ALA H . 17615 1 107 . 1 1 12 12 ALA HA H 1 4.32 0.03 . 1 . . . A 108 ALA HA . 17615 1 108 . 1 1 12 12 ALA HB1 H 1 1.38 0.03 . 1 . . . A 108 ALA HB1 . 17615 1 109 . 1 1 12 12 ALA HB2 H 1 1.38 0.03 . 1 . . . A 108 ALA HB2 . 17615 1 110 . 1 1 12 12 ALA HB3 H 1 1.38 0.03 . 1 . . . A 108 ALA HB3 . 17615 1 111 . 1 1 12 12 ALA CA C 13 52.37 0.20 . 1 . . . A 108 ALA CA . 17615 1 112 . 1 1 12 12 ALA CB C 13 19.33 0.20 . 1 . . . A 108 ALA CB . 17615 1 113 . 1 1 12 12 ALA N N 15 122.17 0.20 . 1 . . . A 108 ALA N . 17615 1 114 . 1 1 13 13 THR H H 1 7.75 0.03 . 1 . . . A 109 THR H . 17615 1 115 . 1 1 13 13 THR HA H 1 4.27 0.03 . 1 . . . A 109 THR HA . 17615 1 116 . 1 1 13 13 THR HB H 1 3.98 0.03 . 1 . . . A 109 THR HB . 17615 1 117 . 1 1 13 13 THR HG21 H 1 1.02 0.03 . 1 . . . A 109 THR HG21 . 17615 1 118 . 1 1 13 13 THR HG22 H 1 1.02 0.03 . 1 . . . A 109 THR HG22 . 17615 1 119 . 1 1 13 13 THR HG23 H 1 1.02 0.03 . 1 . . . A 109 THR HG23 . 17615 1 120 . 1 1 13 13 THR CA C 13 60.62 0.20 . 1 . . . A 109 THR CA . 17615 1 121 . 1 1 13 13 THR CB C 13 70.15 0.20 . 1 . . . A 109 THR CB . 17615 1 122 . 1 1 13 13 THR CG2 C 13 21.54 0.02 . 1 . . . A 109 THR CG2 . 17615 1 123 . 1 1 13 13 THR N N 15 117.03 0.20 . 1 . . . A 109 THR N . 17615 1 124 . 1 1 14 14 PRO HA H 1 4.45 0.03 . 1 . . . A 110 PRO HA . 17615 1 125 . 1 1 14 14 PRO HB2 H 1 0.91 0.03 . 2 . . . A 110 PRO HB2 . 17615 1 126 . 1 1 14 14 PRO HB3 H 1 1.61 0.03 . 2 . . . A 110 PRO HB3 . 17615 1 127 . 1 1 14 14 PRO HG2 H 1 1.45 0.03 . 2 . . . A 110 PRO HG2 . 17615 1 128 . 1 1 14 14 PRO HG3 H 1 1.60 0.03 . 2 . . . A 110 PRO HG3 . 17615 1 129 . 1 1 14 14 PRO HD2 H 1 3.37 0.03 . 2 . . . A 110 PRO HD2 . 17615 1 130 . 1 1 14 14 PRO HD3 H 1 3.85 0.03 . 2 . . . A 110 PRO HD3 . 17615 1 131 . 1 1 14 14 PRO CA C 13 62.10 0.20 . 1 . . . A 110 PRO CA . 17615 1 132 . 1 1 14 14 PRO CB C 13 31.43 0.20 . 1 . . . A 110 PRO CB . 17615 1 133 . 1 1 14 14 PRO CG C 13 27.19 0.20 . 1 . . . A 110 PRO CG . 17615 1 134 . 1 1 14 14 PRO CD C 13 50.58 0.20 . 1 . . . A 110 PRO CD . 17615 1 135 . 1 1 15 15 TYR H H 1 9.11 0.03 . 1 . . . A 111 TYR H . 17615 1 136 . 1 1 15 15 TYR HA H 1 4.77 0.03 . 1 . . . A 111 TYR HA . 17615 1 137 . 1 1 15 15 TYR HB2 H 1 2.77 0.03 . 2 . . . A 111 TYR HB2 . 17615 1 138 . 1 1 15 15 TYR HB3 H 1 3.03 0.03 . 2 . . . A 111 TYR HB3 . 17615 1 139 . 1 1 15 15 TYR HD1 H 1 7.27 0.03 . 1 . . . A 111 TYR HD1 . 17615 1 140 . 1 1 15 15 TYR HD2 H 1 7.27 0.03 . 1 . . . A 111 TYR HD2 . 17615 1 141 . 1 1 15 15 TYR HE1 H 1 6.85 0.03 . 1 . . . A 111 TYR HE1 . 17615 1 142 . 1 1 15 15 TYR HE2 H 1 6.85 0.03 . 1 . . . A 111 TYR HE2 . 17615 1 143 . 1 1 15 15 TYR CA C 13 55.62 0.20 . 1 . . . A 111 TYR CA . 17615 1 144 . 1 1 15 15 TYR CB C 13 39.24 0.20 . 1 . . . A 111 TYR CB . 17615 1 145 . 1 1 15 15 TYR N N 15 123.25 0.20 . 1 . . . A 111 TYR N . 17615 1 146 . 1 1 16 16 PRO HA H 1 4.13 0.03 . 1 . . . A 112 PRO HA . 17615 1 147 . 1 1 16 16 PRO HB2 H 1 1.89 0.03 . 2 . . . A 112 PRO HB2 . 17615 1 148 . 1 1 16 16 PRO HB3 H 1 2.35 0.03 . 2 . . . A 112 PRO HB3 . 17615 1 149 . 1 1 16 16 PRO HG2 H 1 1.92 0.03 . 2 . . . A 112 PRO HG2 . 17615 1 150 . 1 1 16 16 PRO HG3 H 1 2.21 0.03 . 2 . . . A 112 PRO HG3 . 17615 1 151 . 1 1 16 16 PRO HD2 H 1 3.92 0.03 . 2 . . . A 112 PRO HD2 . 17615 1 152 . 1 1 16 16 PRO HD3 H 1 3.44 0.03 . 2 . . . A 112 PRO HD3 . 17615 1 153 . 1 1 16 16 PRO CA C 13 64.71 0.20 . 1 . . . A 112 PRO CA . 17615 1 154 . 1 1 16 16 PRO CB C 13 31.53 0.20 . 1 . . . A 112 PRO CB . 17615 1 155 . 1 1 16 16 PRO CG C 13 28.24 0.20 . 1 . . . A 112 PRO CG . 17615 1 156 . 1 1 16 16 PRO CD C 13 50.64 0.20 . 1 . . . A 112 PRO CD . 17615 1 157 . 1 1 17 17 GLY H H 1 9.26 0.03 . 1 . . . A 113 GLY H . 17615 1 158 . 1 1 17 17 GLY HA2 H 1 3.53 0.03 . 2 . . . A 113 GLY HA2 . 17615 1 159 . 1 1 17 17 GLY HA3 H 1 4.57 0.03 . 2 . . . A 113 GLY HA3 . 17615 1 160 . 1 1 17 17 GLY CA C 13 44.93 0.20 . 1 . . . A 113 GLY CA . 17615 1 161 . 1 1 17 17 GLY N N 15 114.38 0.20 . 1 . . . A 113 GLY N . 17615 1 162 . 1 1 18 18 ASP H H 1 8.76 0.03 . 1 . . . A 114 ASP H . 17615 1 163 . 1 1 18 18 ASP HA H 1 4.71 0.03 . 1 . . . A 114 ASP HA . 17615 1 164 . 1 1 18 18 ASP HB2 H 1 2.62 0.03 . 2 . . . A 114 ASP HB2 . 17615 1 165 . 1 1 18 18 ASP HB3 H 1 2.92 0.03 . 2 . . . A 114 ASP HB3 . 17615 1 166 . 1 1 18 18 ASP CA C 13 55.41 0.20 . 1 . . . A 114 ASP CA . 17615 1 167 . 1 1 18 18 ASP CB C 13 41.60 0.20 . 1 . . . A 114 ASP CB . 17615 1 168 . 1 1 18 18 ASP N N 15 122.36 0.20 . 1 . . . A 114 ASP N . 17615 1 169 . 1 1 19 19 LYS H H 1 8.49 0.03 . 1 . . . A 115 LYS H . 17615 1 170 . 1 1 19 19 LYS HA H 1 4.99 0.03 . 1 . . . A 115 LYS HA . 17615 1 171 . 1 1 19 19 LYS HB2 H 1 1.89 0.03 . 2 . . . A 115 LYS HB2 . 17615 1 172 . 1 1 19 19 LYS HB3 H 1 1.89 0.03 . 2 . . . A 115 LYS HB3 . 17615 1 173 . 1 1 19 19 LYS HG2 H 1 1.54 0.03 . 2 . . . A 115 LYS HG2 . 17615 1 174 . 1 1 19 19 LYS HG3 H 1 1.74 0.03 . 2 . . . A 115 LYS HG3 . 17615 1 175 . 1 1 19 19 LYS HD2 H 1 1.75 0.03 . 2 . . . A 115 LYS HD2 . 17615 1 176 . 1 1 19 19 LYS HD3 H 1 1.75 0.03 . 2 . . . A 115 LYS HD3 . 17615 1 177 . 1 1 19 19 LYS HE2 H 1 3.01 0.03 . 2 . . . A 115 LYS HE2 . 17615 1 178 . 1 1 19 19 LYS HE3 H 1 3.01 0.03 . 2 . . . A 115 LYS HE3 . 17615 1 179 . 1 1 19 19 LYS CA C 13 56.37 0.20 . 1 . . . A 115 LYS CA . 17615 1 180 . 1 1 19 19 LYS CB C 13 33.54 0.20 . 1 . . . A 115 LYS CB . 17615 1 181 . 1 1 19 19 LYS CG C 13 25.57 0.20 . 1 . . . A 115 LYS CG . 17615 1 182 . 1 1 19 19 LYS CD C 13 29.27 0.20 . 1 . . . A 115 LYS CD . 17615 1 183 . 1 1 19 19 LYS CE C 13 42.01 0.20 . 1 . . . A 115 LYS CE . 17615 1 184 . 1 1 19 19 LYS N N 15 120.64 0.20 . 1 . . . A 115 LYS N . 17615 1 185 . 1 1 20 20 VAL H H 1 9.17 0.03 . 1 . . . A 116 VAL H . 17615 1 186 . 1 1 20 20 VAL HA H 1 5.24 0.03 . 1 . . . A 116 VAL HA . 17615 1 187 . 1 1 20 20 VAL HB H 1 2.29 0.03 . 1 . . . A 116 VAL HB . 17615 1 188 . 1 1 20 20 VAL HG11 H 1 0.86 0.03 . 2 . . . A 116 VAL HG11 . 17615 1 189 . 1 1 20 20 VAL HG12 H 1 0.86 0.03 . 2 . . . A 116 VAL HG12 . 17615 1 190 . 1 1 20 20 VAL HG13 H 1 0.86 0.03 . 2 . . . A 116 VAL HG13 . 17615 1 191 . 1 1 20 20 VAL HG21 H 1 0.46 0.03 . 2 . . . A 116 VAL HG21 . 17615 1 192 . 1 1 20 20 VAL HG22 H 1 0.46 0.03 . 2 . . . A 116 VAL HG22 . 17615 1 193 . 1 1 20 20 VAL HG23 H 1 0.46 0.03 . 2 . . . A 116 VAL HG23 . 17615 1 194 . 1 1 20 20 VAL CA C 13 58.30 0.20 . 1 . . . A 116 VAL CA . 17615 1 195 . 1 1 20 20 VAL CB C 13 36.04 0.20 . 1 . . . A 116 VAL CB . 17615 1 196 . 1 1 20 20 VAL CG1 C 13 20.67 0.20 . 2 . . . A 116 VAL CG1 . 17615 1 197 . 1 1 20 20 VAL CG2 C 13 19.41 0.20 . 2 . . . A 116 VAL CG2 . 17615 1 198 . 1 1 20 20 VAL N N 15 116.49 0.20 . 1 . . . A 116 VAL N . 17615 1 199 . 1 1 21 21 ILE H H 1 9.20 0.03 . 1 . . . A 117 ILE H . 17615 1 200 . 1 1 21 21 ILE HA H 1 5.13 0.03 . 1 . . . A 117 ILE HA . 17615 1 201 . 1 1 21 21 ILE HB H 1 1.67 0.03 . 1 . . . A 117 ILE HB . 17615 1 202 . 1 1 21 21 ILE HG12 H 1 1.35 0.03 . 2 . . . A 117 ILE HG12 . 17615 1 203 . 1 1 21 21 ILE HG13 H 1 1.17 0.03 . 2 . . . A 117 ILE HG13 . 17615 1 204 . 1 1 21 21 ILE HG21 H 1 0.92 0.03 . 1 . . . A 117 ILE HG21 . 17615 1 205 . 1 1 21 21 ILE HG22 H 1 0.92 0.03 . 1 . . . A 117 ILE HG22 . 17615 1 206 . 1 1 21 21 ILE HG23 H 1 0.92 0.03 . 1 . . . A 117 ILE HG23 . 17615 1 207 . 1 1 21 21 ILE HD11 H 1 0.89 0.03 . 1 . . . A 117 ILE HD11 . 17615 1 208 . 1 1 21 21 ILE HD12 H 1 0.89 0.03 . 1 . . . A 117 ILE HD12 . 17615 1 209 . 1 1 21 21 ILE HD13 H 1 0.89 0.03 . 1 . . . A 117 ILE HD13 . 17615 1 210 . 1 1 21 21 ILE CA C 13 57.80 0.20 . 1 . . . A 117 ILE CA . 17615 1 211 . 1 1 21 21 ILE CB C 13 42.47 0.20 . 1 . . . A 117 ILE CB . 17615 1 212 . 1 1 21 21 ILE CG1 C 13 28.73 0.20 . 1 . . . A 117 ILE CG1 . 17615 1 213 . 1 1 21 21 ILE CG2 C 13 16.71 0.20 . 1 . . . A 117 ILE CG2 . 17615 1 214 . 1 1 21 21 ILE CD1 C 13 14.03 0.20 . 1 . . . A 117 ILE CD1 . 17615 1 215 . 1 1 21 21 ILE N N 15 118.71 0.20 . 1 . . . A 117 ILE N . 17615 1 216 . 1 1 22 22 ILE H H 1 8.45 0.03 . 1 . . . A 118 ILE H . 17615 1 217 . 1 1 22 22 ILE HA H 1 4.62 0.03 . 1 . . . A 118 ILE HA . 17615 1 218 . 1 1 22 22 ILE HB H 1 2.30 0.03 . 1 . . . A 118 ILE HB . 17615 1 219 . 1 1 22 22 ILE HG12 H 1 0.92 0.03 . 2 . . . A 118 ILE HG12 . 17615 1 220 . 1 1 22 22 ILE HG13 H 1 1.67 0.03 . 2 . . . A 118 ILE HG13 . 17615 1 221 . 1 1 22 22 ILE HG21 H 1 1.25 0.03 . 1 . . . A 118 ILE HG21 . 17615 1 222 . 1 1 22 22 ILE HG22 H 1 1.25 0.03 . 1 . . . A 118 ILE HG22 . 17615 1 223 . 1 1 22 22 ILE HG23 H 1 1.25 0.03 . 1 . . . A 118 ILE HG23 . 17615 1 224 . 1 1 22 22 ILE HD11 H 1 0.85 0.03 . 1 . . . A 118 ILE HD11 . 17615 1 225 . 1 1 22 22 ILE HD12 H 1 0.85 0.03 . 1 . . . A 118 ILE HD12 . 17615 1 226 . 1 1 22 22 ILE HD13 H 1 0.85 0.03 . 1 . . . A 118 ILE HD13 . 17615 1 227 . 1 1 22 22 ILE CA C 13 62.15 0.20 . 1 . . . A 118 ILE CA . 17615 1 228 . 1 1 22 22 ILE CB C 13 37.21 0.20 . 1 . . . A 118 ILE CB . 17615 1 229 . 1 1 22 22 ILE CG1 C 13 29.08 0.20 . 1 . . . A 118 ILE CG1 . 17615 1 230 . 1 1 22 22 ILE CG2 C 13 18.86 0.20 . 1 . . . A 118 ILE CG2 . 17615 1 231 . 1 1 22 22 ILE CD1 C 13 14.83 0.20 . 1 . . . A 118 ILE CD1 . 17615 1 232 . 1 1 22 22 ILE N N 15 128.23 0.20 . 1 . . . A 118 ILE N . 17615 1 233 . 1 1 23 23 THR H H 1 9.30 0.03 . 1 . . . A 119 THR H . 17615 1 234 . 1 1 23 23 THR HA H 1 4.53 0.03 . 1 . . . A 119 THR HA . 17615 1 235 . 1 1 23 23 THR HB H 1 4.48 0.03 . 1 . . . A 119 THR HB . 17615 1 236 . 1 1 23 23 THR HG21 H 1 1.14 0.03 . 1 . . . A 119 THR HG21 . 17615 1 237 . 1 1 23 23 THR HG22 H 1 1.14 0.03 . 1 . . . A 119 THR HG22 . 17615 1 238 . 1 1 23 23 THR HG23 H 1 1.14 0.03 . 1 . . . A 119 THR HG23 . 17615 1 239 . 1 1 23 23 THR CA C 13 62.52 0.20 . 1 . . . A 119 THR CA . 17615 1 240 . 1 1 23 23 THR CB C 13 69.07 0.20 . 1 . . . A 119 THR CB . 17615 1 241 . 1 1 23 23 THR CG2 C 13 22.45 0.20 . 1 . . . A 119 THR CG2 . 17615 1 242 . 1 1 23 23 THR N N 15 120.31 0.20 . 1 . . . A 119 THR N . 17615 1 243 . 1 1 24 24 GLU H H 1 7.55 0.03 . 1 . . . A 120 GLU H . 17615 1 244 . 1 1 24 24 GLU HA H 1 4.75 0.03 . 1 . . . A 120 GLU HA . 17615 1 245 . 1 1 24 24 GLU HB2 H 1 1.93 0.03 . 2 . . . A 120 GLU HB2 . 17615 1 246 . 1 1 24 24 GLU HB3 H 1 2.11 0.03 . 2 . . . A 120 GLU HB3 . 17615 1 247 . 1 1 24 24 GLU HG2 H 1 2.20 0.03 . 2 . . . A 120 GLU HG2 . 17615 1 248 . 1 1 24 24 GLU HG3 H 1 2.29 0.03 . 2 . . . A 120 GLU HG3 . 17615 1 249 . 1 1 24 24 GLU CA C 13 55.44 0.20 . 1 . . . A 120 GLU CA . 17615 1 250 . 1 1 24 24 GLU CB C 13 34.54 0.20 . 1 . . . A 120 GLU CB . 17615 1 251 . 1 1 24 24 GLU CG C 13 36.13 0.20 . 1 . . . A 120 GLU CG . 17615 1 252 . 1 1 24 24 GLU N N 15 119.29 0.20 . 1 . . . A 120 GLU N . 17615 1 253 . 1 1 25 25 GLY H H 1 8.72 0.03 . 1 . . . A 121 GLY H . 17615 1 254 . 1 1 25 25 GLY HA2 H 1 4.40 0.03 . 2 . . . A 121 GLY HA2 . 17615 1 255 . 1 1 25 25 GLY HA3 H 1 3.85 0.03 . 2 . . . A 121 GLY HA3 . 17615 1 256 . 1 1 25 25 GLY CA C 13 44.72 0.20 . 1 . . . A 121 GLY CA . 17615 1 257 . 1 1 25 25 GLY N N 15 107.37 0.20 . 1 . . . A 121 GLY N . 17615 1 258 . 1 1 26 26 ALA H H 1 8.71 0.03 . 1 . . . A 122 ALA H . 17615 1 259 . 1 1 26 26 ALA HA H 1 3.87 0.03 . 1 . . . A 122 ALA HA . 17615 1 260 . 1 1 26 26 ALA HB1 H 1 0.93 0.03 . 1 . . . A 122 ALA HB1 . 17615 1 261 . 1 1 26 26 ALA HB2 H 1 0.93 0.03 . 1 . . . A 122 ALA HB2 . 17615 1 262 . 1 1 26 26 ALA HB3 H 1 0.93 0.03 . 1 . . . A 122 ALA HB3 . 17615 1 263 . 1 1 26 26 ALA CA C 13 54.75 0.20 . 1 . . . A 122 ALA CA . 17615 1 264 . 1 1 26 26 ALA CB C 13 18.39 0.20 . 1 . . . A 122 ALA CB . 17615 1 265 . 1 1 26 26 ALA N N 15 124.04 0.20 . 1 . . . A 122 ALA N . 17615 1 266 . 1 1 27 27 PHE H H 1 9.01 0.03 . 1 . . . A 123 PHE H . 17615 1 267 . 1 1 27 27 PHE HA H 1 4.47 0.03 . 1 . . . A 123 PHE HA . 17615 1 268 . 1 1 27 27 PHE HB2 H 1 2.79 0.03 . 2 . . . A 123 PHE HB2 . 17615 1 269 . 1 1 27 27 PHE HB3 H 1 3.12 0.03 . 2 . . . A 123 PHE HB3 . 17615 1 270 . 1 1 27 27 PHE HD1 H 1 6.42 0.03 . 1 . . . A 123 PHE HD1 . 17615 1 271 . 1 1 27 27 PHE HD2 H 1 6.42 0.03 . 1 . . . A 123 PHE HD2 . 17615 1 272 . 1 1 27 27 PHE HE1 H 1 6.66 0.03 . 1 . . . A 123 PHE HE1 . 17615 1 273 . 1 1 27 27 PHE HE2 H 1 6.66 0.03 . 1 . . . A 123 PHE HE2 . 17615 1 274 . 1 1 27 27 PHE HZ H 1 6.68 0.03 . 1 . . . A 123 PHE HZ . 17615 1 275 . 1 1 27 27 PHE CA C 13 56.27 0.20 . 1 . . . A 123 PHE CA . 17615 1 276 . 1 1 27 27 PHE CB C 13 37.99 0.20 . 1 . . . A 123 PHE CB . 17615 1 277 . 1 1 27 27 PHE N N 15 114.38 0.20 . 1 . . . A 123 PHE N . 17615 1 278 . 1 1 28 28 GLU H H 1 7.23 0.03 . 1 . . . A 124 GLU H . 17615 1 279 . 1 1 28 28 GLU HA H 1 3.44 0.03 . 1 . . . A 124 GLU HA . 17615 1 280 . 1 1 28 28 GLU HB2 H 1 1.88 0.03 . 2 . . . A 124 GLU HB2 . 17615 1 281 . 1 1 28 28 GLU HB3 H 1 1.96 0.03 . 2 . . . A 124 GLU HB3 . 17615 1 282 . 1 1 28 28 GLU HG2 H 1 2.04 0.03 . 2 . . . A 124 GLU HG2 . 17615 1 283 . 1 1 28 28 GLU HG3 H 1 2.07 0.03 . 2 . . . A 124 GLU HG3 . 17615 1 284 . 1 1 28 28 GLU CA C 13 58.91 0.20 . 1 . . . A 124 GLU CA . 17615 1 285 . 1 1 28 28 GLU CB C 13 29.12 0.20 . 1 . . . A 124 GLU CB . 17615 1 286 . 1 1 28 28 GLU CG C 13 35.44 0.20 . 1 . . . A 124 GLU CG . 17615 1 287 . 1 1 28 28 GLU N N 15 119.73 0.20 . 1 . . . A 124 GLU N . 17615 1 288 . 1 1 29 29 GLY H H 1 8.97 0.03 . 1 . . . A 125 GLY H . 17615 1 289 . 1 1 29 29 GLY HA2 H 1 3.66 0.03 . 2 . . . A 125 GLY HA2 . 17615 1 290 . 1 1 29 29 GLY HA3 H 1 4.34 0.03 . 2 . . . A 125 GLY HA3 . 17615 1 291 . 1 1 29 29 GLY CA C 13 45.12 0.20 . 1 . . . A 125 GLY CA . 17615 1 292 . 1 1 29 29 GLY N N 15 114.21 0.20 . 1 . . . A 125 GLY N . 17615 1 293 . 1 1 30 30 PHE H H 1 8.52 0.03 . 1 . . . A 126 PHE H . 17615 1 294 . 1 1 30 30 PHE HA H 1 4.62 0.03 . 1 . . . A 126 PHE HA . 17615 1 295 . 1 1 30 30 PHE HB2 H 1 3.02 0.03 . 2 . . . A 126 PHE HB2 . 17615 1 296 . 1 1 30 30 PHE HB3 H 1 3.54 0.03 . 2 . . . A 126 PHE HB3 . 17615 1 297 . 1 1 30 30 PHE HD1 H 1 7.41 0.03 . 1 . . . A 126 PHE HD1 . 17615 1 298 . 1 1 30 30 PHE HD2 H 1 7.41 0.03 . 1 . . . A 126 PHE HD2 . 17615 1 299 . 1 1 30 30 PHE HE1 H 1 7.47 0.03 . 1 . . . A 126 PHE HE1 . 17615 1 300 . 1 1 30 30 PHE HE2 H 1 7.47 0.03 . 1 . . . A 126 PHE HE2 . 17615 1 301 . 1 1 30 30 PHE HZ H 1 7.40 0.03 . 1 . . . A 126 PHE HZ . 17615 1 302 . 1 1 30 30 PHE CA C 13 58.62 0.20 . 1 . . . A 126 PHE CA . 17615 1 303 . 1 1 30 30 PHE CB C 13 38.96 0.20 . 1 . . . A 126 PHE CB . 17615 1 304 . 1 1 30 30 PHE N N 15 120.87 0.20 . 1 . . . A 126 PHE N . 17615 1 305 . 1 1 31 31 GLN H H 1 8.68 0.03 . 1 . . . A 127 GLN H . 17615 1 306 . 1 1 31 31 GLN HA H 1 5.19 0.03 . 1 . . . A 127 GLN HA . 17615 1 307 . 1 1 31 31 GLN HB2 H 1 2.08 0.03 . 2 . . . A 127 GLN HB2 . 17615 1 308 . 1 1 31 31 GLN HB3 H 1 2.20 0.03 . 2 . . . A 127 GLN HB3 . 17615 1 309 . 1 1 31 31 GLN HG2 H 1 2.35 0.03 . 2 . . . A 127 GLN HG2 . 17615 1 310 . 1 1 31 31 GLN HG3 H 1 2.61 0.03 . 2 . . . A 127 GLN HG3 . 17615 1 311 . 1 1 31 31 GLN HE21 H 1 7.46 0.03 . 1 . . . A 127 GLN HE21 . 17615 1 312 . 1 1 31 31 GLN HE22 H 1 6.88 0.03 . 1 . . . A 127 GLN HE22 . 17615 1 313 . 1 1 31 31 GLN CA C 13 55.02 0.20 . 1 . . . A 127 GLN CA . 17615 1 314 . 1 1 31 31 GLN CB C 13 30.39 0.20 . 1 . . . A 127 GLN CB . 17615 1 315 . 1 1 31 31 GLN CG C 13 34.97 0.20 . 1 . . . A 127 GLN CG . 17615 1 316 . 1 1 31 31 GLN N N 15 119.76 0.20 . 1 . . . A 127 GLN N . 17615 1 317 . 1 1 31 31 GLN NE2 N 15 110.94 0.20 . 1 . . . A 127 GLN NE2 . 17615 1 318 . 1 1 32 32 ALA H H 1 8.97 0.03 . 1 . . . A 128 ALA H . 17615 1 319 . 1 1 32 32 ALA HA H 1 5.01 0.03 . 1 . . . A 128 ALA HA . 17615 1 320 . 1 1 32 32 ALA HB1 H 1 1.14 0.03 . 1 . . . A 128 ALA HB1 . 17615 1 321 . 1 1 32 32 ALA HB2 H 1 1.14 0.03 . 1 . . . A 128 ALA HB2 . 17615 1 322 . 1 1 32 32 ALA HB3 H 1 1.14 0.03 . 1 . . . A 128 ALA HB3 . 17615 1 323 . 1 1 32 32 ALA CA C 13 50.57 0.20 . 1 . . . A 128 ALA CA . 17615 1 324 . 1 1 32 32 ALA CB C 13 25.07 0.20 . 1 . . . A 128 ALA CB . 17615 1 325 . 1 1 32 32 ALA N N 15 123.16 0.20 . 1 . . . A 128 ALA N . 17615 1 326 . 1 1 33 33 ILE H H 1 8.35 0.03 . 1 . . . A 129 ILE H . 17615 1 327 . 1 1 33 33 ILE HA H 1 4.89 0.03 . 1 . . . A 129 ILE HA . 17615 1 328 . 1 1 33 33 ILE HB H 1 1.76 0.03 . 1 . . . A 129 ILE HB . 17615 1 329 . 1 1 33 33 ILE HG12 H 1 1.54 0.03 . 2 . . . A 129 ILE HG12 . 17615 1 330 . 1 1 33 33 ILE HG13 H 1 1.23 0.03 . 2 . . . A 129 ILE HG13 . 17615 1 331 . 1 1 33 33 ILE HG21 H 1 0.79 0.03 . 1 . . . A 129 ILE HG21 . 17615 1 332 . 1 1 33 33 ILE HG22 H 1 0.79 0.03 . 1 . . . A 129 ILE HG22 . 17615 1 333 . 1 1 33 33 ILE HG23 H 1 0.79 0.03 . 1 . . . A 129 ILE HG23 . 17615 1 334 . 1 1 33 33 ILE HD11 H 1 0.84 0.03 . 1 . . . A 129 ILE HD11 . 17615 1 335 . 1 1 33 33 ILE HD12 H 1 0.84 0.03 . 1 . . . A 129 ILE HD12 . 17615 1 336 . 1 1 33 33 ILE HD13 H 1 0.84 0.03 . 1 . . . A 129 ILE HD13 . 17615 1 337 . 1 1 33 33 ILE CA C 13 58.85 0.20 . 1 . . . A 129 ILE CA . 17615 1 338 . 1 1 33 33 ILE CB C 13 40.78 0.20 . 1 . . . A 129 ILE CB . 17615 1 339 . 1 1 33 33 ILE CG1 C 13 27.49 0.20 . 1 . . . A 129 ILE CG1 . 17615 1 340 . 1 1 33 33 ILE CG2 C 13 17.20 0.20 . 1 . . . A 129 ILE CG2 . 17615 1 341 . 1 1 33 33 ILE CD1 C 13 12.27 0.20 . 1 . . . A 129 ILE CD1 . 17615 1 342 . 1 1 33 33 ILE N N 15 118.58 0.20 . 1 . . . A 129 ILE N . 17615 1 343 . 1 1 34 34 PHE H H 1 9.10 0.03 . 1 . . . A 130 PHE H . 17615 1 344 . 1 1 34 34 PHE HA H 1 4.31 0.03 . 1 . . . A 130 PHE HA . 17615 1 345 . 1 1 34 34 PHE HB2 H 1 2.62 0.03 . 2 . . . A 130 PHE HB2 . 17615 1 346 . 1 1 34 34 PHE HB3 H 1 3.08 0.03 . 2 . . . A 130 PHE HB3 . 17615 1 347 . 1 1 34 34 PHE HD1 H 1 6.77 0.03 . 1 . . . A 130 PHE HD1 . 17615 1 348 . 1 1 34 34 PHE HD2 H 1 6.77 0.03 . 1 . . . A 130 PHE HD2 . 17615 1 349 . 1 1 34 34 PHE HE1 H 1 7.14 0.03 . 1 . . . A 130 PHE HE1 . 17615 1 350 . 1 1 34 34 PHE HE2 H 1 7.14 0.03 . 1 . . . A 130 PHE HE2 . 17615 1 351 . 1 1 34 34 PHE HZ H 1 7.07 0.03 . 1 . . . A 130 PHE HZ . 17615 1 352 . 1 1 34 34 PHE CA C 13 58.53 0.20 . 1 . . . A 130 PHE CA . 17615 1 353 . 1 1 34 34 PHE CB C 13 39.28 0.20 . 1 . . . A 130 PHE CB . 17615 1 354 . 1 1 34 34 PHE N N 15 127.46 0.20 . 1 . . . A 130 PHE N . 17615 1 355 . 1 1 35 35 THR H H 1 7.86 0.03 . 1 . . . A 131 THR H . 17615 1 356 . 1 1 35 35 THR HA H 1 4.51 0.03 . 1 . . . A 131 THR HA . 17615 1 357 . 1 1 35 35 THR HB H 1 3.85 0.03 . 1 . . . A 131 THR HB . 17615 1 358 . 1 1 35 35 THR HG21 H 1 1.02 0.03 . 1 . . . A 131 THR HG21 . 17615 1 359 . 1 1 35 35 THR HG22 H 1 1.02 0.03 . 1 . . . A 131 THR HG22 . 17615 1 360 . 1 1 35 35 THR HG23 H 1 1.02 0.03 . 1 . . . A 131 THR HG23 . 17615 1 361 . 1 1 35 35 THR CA C 13 63.18 0.20 . 1 . . . A 131 THR CA . 17615 1 362 . 1 1 35 35 THR CB C 13 69.17 0.20 . 1 . . . A 131 THR CB . 17615 1 363 . 1 1 35 35 THR CG2 C 13 22.31 0.20 . 1 . . . A 131 THR CG2 . 17615 1 364 . 1 1 35 35 THR N N 15 120.74 0.20 . 1 . . . A 131 THR N . 17615 1 365 . 1 1 36 36 GLU H H 1 6.76 0.03 . 1 . . . A 132 GLU H . 17615 1 366 . 1 1 36 36 GLU HA H 1 4.57 0.03 . 1 . . . A 132 GLU HA . 17615 1 367 . 1 1 36 36 GLU HB2 H 1 2.01 0.03 . 2 . . . A 132 GLU HB2 . 17615 1 368 . 1 1 36 36 GLU HB3 H 1 2.26 0.03 . 2 . . . A 132 GLU HB3 . 17615 1 369 . 1 1 36 36 GLU HG2 H 1 2.01 0.03 . 2 . . . A 132 GLU HG2 . 17615 1 370 . 1 1 36 36 GLU HG3 H 1 2.08 0.03 . 2 . . . A 132 GLU HG3 . 17615 1 371 . 1 1 36 36 GLU CA C 13 54.72 0.20 . 1 . . . A 132 GLU CA . 17615 1 372 . 1 1 36 36 GLU CB C 13 29.42 0.20 . 1 . . . A 132 GLU CB . 17615 1 373 . 1 1 36 36 GLU CG C 13 34.36 0.20 . 1 . . . A 132 GLU CG . 17615 1 374 . 1 1 36 36 GLU N N 15 116.17 0.20 . 1 . . . A 132 GLU N . 17615 1 375 . 1 1 37 37 PRO HA H 1 4.78 0.03 . 1 . . . A 133 PRO HA . 17615 1 376 . 1 1 37 37 PRO HB2 H 1 2.17 0.03 . 2 . . . A 133 PRO HB2 . 17615 1 377 . 1 1 37 37 PRO HB3 H 1 2.74 0.03 . 2 . . . A 133 PRO HB3 . 17615 1 378 . 1 1 37 37 PRO HG2 H 1 2.21 0.03 . 2 . . . A 133 PRO HG2 . 17615 1 379 . 1 1 37 37 PRO HG3 H 1 2.21 0.03 . 2 . . . A 133 PRO HG3 . 17615 1 380 . 1 1 37 37 PRO HD2 H 1 3.85 0.03 . 2 . . . A 133 PRO HD2 . 17615 1 381 . 1 1 37 37 PRO HD3 H 1 3.88 0.03 . 2 . . . A 133 PRO HD3 . 17615 1 382 . 1 1 37 37 PRO CA C 13 63.56 0.20 . 1 . . . A 133 PRO CA . 17615 1 383 . 1 1 37 37 PRO CB C 13 32.69 0.20 . 1 . . . A 133 PRO CB . 17615 1 384 . 1 1 37 37 PRO CG C 13 27.73 0.20 . 1 . . . A 133 PRO CG . 17615 1 385 . 1 1 37 37 PRO CD C 13 51.02 0.20 . 1 . . . A 133 PRO CD . 17615 1 386 . 1 1 38 38 ASP H H 1 8.65 0.03 . 1 . . . A 134 ASP H . 17615 1 387 . 1 1 38 38 ASP HA H 1 4.90 0.03 . 1 . . . A 134 ASP HA . 17615 1 388 . 1 1 38 38 ASP HB2 H 1 2.10 0.03 . 2 . . . A 134 ASP HB2 . 17615 1 389 . 1 1 38 38 ASP HB3 H 1 2.26 0.03 . 2 . . . A 134 ASP HB3 . 17615 1 390 . 1 1 38 38 ASP CA C 13 52.27 0.20 . 1 . . . A 134 ASP CA . 17615 1 391 . 1 1 38 38 ASP CB C 13 41.48 0.20 . 1 . . . A 134 ASP CB . 17615 1 392 . 1 1 38 38 ASP N N 15 123.84 0.20 . 1 . . . A 134 ASP N . 17615 1 393 . 1 1 39 39 GLY H H 1 8.10 0.03 . 1 . . . A 135 GLY H . 17615 1 394 . 1 1 39 39 GLY HA2 H 1 4.24 0.03 . 2 . . . A 135 GLY HA2 . 17615 1 395 . 1 1 39 39 GLY HA3 H 1 3.74 0.03 . 2 . . . A 135 GLY HA3 . 17615 1 396 . 1 1 39 39 GLY CA C 13 44.79 0.20 . 1 . . . A 135 GLY CA . 17615 1 397 . 1 1 39 39 GLY N N 15 108.76 0.20 . 1 . . . A 135 GLY N . 17615 1 398 . 1 1 40 40 GLU H H 1 8.47 0.03 . 1 . . . A 136 GLU H . 17615 1 399 . 1 1 40 40 GLU HA H 1 4.21 0.03 . 1 . . . A 136 GLU HA . 17615 1 400 . 1 1 40 40 GLU HB2 H 1 2.03 0.03 . 2 . . . A 136 GLU HB2 . 17615 1 401 . 1 1 40 40 GLU HB3 H 1 2.08 0.03 . 2 . . . A 136 GLU HB3 . 17615 1 402 . 1 1 40 40 GLU HG2 H 1 2.31 0.03 . 2 . . . A 136 GLU HG2 . 17615 1 403 . 1 1 40 40 GLU HG3 H 1 2.31 0.03 . 2 . . . A 136 GLU HG3 . 17615 1 404 . 1 1 40 40 GLU CA C 13 58.10 0.20 . 1 . . . A 136 GLU CA . 17615 1 405 . 1 1 40 40 GLU CB C 13 30.39 0.20 . 1 . . . A 136 GLU CB . 17615 1 406 . 1 1 40 40 GLU CG C 13 36.37 0.20 . 1 . . . A 136 GLU CG . 17615 1 407 . 1 1 40 40 GLU N N 15 117.70 0.20 . 1 . . . A 136 GLU N . 17615 1 408 . 1 1 41 41 ALA H H 1 8.73 0.03 . 1 . . . A 137 ALA H . 17615 1 409 . 1 1 41 41 ALA HA H 1 4.68 0.03 . 1 . . . A 137 ALA HA . 17615 1 410 . 1 1 41 41 ALA HB1 H 1 1.50 0.03 . 1 . . . A 137 ALA HB1 . 17615 1 411 . 1 1 41 41 ALA HB2 H 1 1.50 0.03 . 1 . . . A 137 ALA HB2 . 17615 1 412 . 1 1 41 41 ALA HB3 H 1 1.50 0.03 . 1 . . . A 137 ALA HB3 . 17615 1 413 . 1 1 41 41 ALA CA C 13 52.07 0.20 . 1 . . . A 137 ALA CA . 17615 1 414 . 1 1 41 41 ALA CB C 13 21.17 0.20 . 1 . . . A 137 ALA CB . 17615 1 415 . 1 1 41 41 ALA N N 15 119.36 0.20 . 1 . . . A 137 ALA N . 17615 1 416 . 1 1 42 42 ARG H H 1 7.05 0.03 . 1 . . . A 138 ARG H . 17615 1 417 . 1 1 42 42 ARG HA H 1 5.11 0.03 . 1 . . . A 138 ARG HA . 17615 1 418 . 1 1 42 42 ARG HB2 H 1 1.85 0.03 . 2 . . . A 138 ARG HB2 . 17615 1 419 . 1 1 42 42 ARG HB3 H 1 2.05 0.03 . 2 . . . A 138 ARG HB3 . 17615 1 420 . 1 1 42 42 ARG HG2 H 1 1.23 0.03 . 2 . . . A 138 ARG HG2 . 17615 1 421 . 1 1 42 42 ARG HG3 H 1 1.67 0.03 . 2 . . . A 138 ARG HG3 . 17615 1 422 . 1 1 42 42 ARG HD2 H 1 2.87 0.03 . 2 . . . A 138 ARG HD2 . 17615 1 423 . 1 1 42 42 ARG HD3 H 1 3.30 0.03 . 2 . . . A 138 ARG HD3 . 17615 1 424 . 1 1 42 42 ARG CA C 13 55.07 0.20 . 1 . . . A 138 ARG CA . 17615 1 425 . 1 1 42 42 ARG CB C 13 34.99 0.20 . 1 . . . A 138 ARG CB . 17615 1 426 . 1 1 42 42 ARG CG C 13 28.26 0.20 . 1 . . . A 138 ARG CG . 17615 1 427 . 1 1 42 42 ARG CD C 13 43.25 0.20 . 1 . . . A 138 ARG CD . 17615 1 428 . 1 1 42 42 ARG N N 15 117.66 0.20 . 1 . . . A 138 ARG N . 17615 1 429 . 1 1 43 43 SER H H 1 9.38 0.03 . 1 . . . A 139 SER H . 17615 1 430 . 1 1 43 43 SER HA H 1 4.87 0.03 . 1 . . . A 139 SER HA . 17615 1 431 . 1 1 43 43 SER HB2 H 1 3.63 0.03 . 2 . . . A 139 SER HB2 . 17615 1 432 . 1 1 43 43 SER HB3 H 1 3.67 0.03 . 2 . . . A 139 SER HB3 . 17615 1 433 . 1 1 43 43 SER CA C 13 59.15 0.20 . 1 . . . A 139 SER CA . 17615 1 434 . 1 1 43 43 SER CB C 13 67.99 0.20 . 1 . . . A 139 SER CB . 17615 1 435 . 1 1 43 43 SER N N 15 115.71 0.20 . 1 . . . A 139 SER N . 17615 1 436 . 1 1 44 44 MET H H 1 9.14 0.03 . 1 . . . A 140 MET H . 17615 1 437 . 1 1 44 44 MET HA H 1 4.87 0.03 . 1 . . . A 140 MET HA . 17615 1 438 . 1 1 44 44 MET HB2 H 1 1.63 0.03 . 2 . . . A 140 MET HB2 . 17615 1 439 . 1 1 44 44 MET HB3 H 1 1.98 0.03 . 2 . . . A 140 MET HB3 . 17615 1 440 . 1 1 44 44 MET HG2 H 1 2.00 0.03 . 2 . . . A 140 MET HG2 . 17615 1 441 . 1 1 44 44 MET HG3 H 1 2.39 0.03 . 2 . . . A 140 MET HG3 . 17615 1 442 . 1 1 44 44 MET HE1 H 1 1.85 0.03 . 1 . . . A 140 MET HE1 . 17615 1 443 . 1 1 44 44 MET HE2 H 1 1.85 0.03 . 1 . . . A 140 MET HE2 . 17615 1 444 . 1 1 44 44 MET HE3 H 1 1.85 0.03 . 1 . . . A 140 MET HE3 . 17615 1 445 . 1 1 44 44 MET CA C 13 53.45 0.20 . 1 . . . A 140 MET CA . 17615 1 446 . 1 1 44 44 MET CB C 13 30.70 0.20 . 1 . . . A 140 MET CB . 17615 1 447 . 1 1 44 44 MET CG C 13 31.43 0.20 . 1 . . . A 140 MET CG . 17615 1 448 . 1 1 44 44 MET CE C 13 15.92 0.20 . 1 . . . A 140 MET CE . 17615 1 449 . 1 1 44 44 MET N N 15 120.59 0.20 . 1 . . . A 140 MET N . 17615 1 450 . 1 1 45 45 LEU H H 1 8.93 0.03 . 1 . . . A 141 LEU H . 17615 1 451 . 1 1 45 45 LEU HA H 1 4.99 0.03 . 1 . . . A 141 LEU HA . 17615 1 452 . 1 1 45 45 LEU HB2 H 1 0.97 0.03 . 2 . . . A 141 LEU HB2 . 17615 1 453 . 1 1 45 45 LEU HB3 H 1 1.53 0.03 . 2 . . . A 141 LEU HB3 . 17615 1 454 . 1 1 45 45 LEU HG H 1 1.38 0.03 . 1 . . . A 141 LEU HG . 17615 1 455 . 1 1 45 45 LEU HD11 H 1 0.25 0.03 . 2 . . . A 141 LEU HD11 . 17615 1 456 . 1 1 45 45 LEU HD12 H 1 0.25 0.03 . 2 . . . A 141 LEU HD12 . 17615 1 457 . 1 1 45 45 LEU HD13 H 1 0.25 0.03 . 2 . . . A 141 LEU HD13 . 17615 1 458 . 1 1 45 45 LEU HD21 H 1 0.13 0.03 . 2 . . . A 141 LEU HD21 . 17615 1 459 . 1 1 45 45 LEU HD22 H 1 0.13 0.03 . 2 . . . A 141 LEU HD22 . 17615 1 460 . 1 1 45 45 LEU HD23 H 1 0.13 0.03 . 2 . . . A 141 LEU HD23 . 17615 1 461 . 1 1 45 45 LEU CA C 13 52.27 0.20 . 1 . . . A 141 LEU CA . 17615 1 462 . 1 1 45 45 LEU CB C 13 44.21 0.20 . 1 . . . A 141 LEU CB . 17615 1 463 . 1 1 45 45 LEU CG C 13 26.94 0.20 . 1 . . . A 141 LEU CG . 17615 1 464 . 1 1 45 45 LEU CD1 C 13 25.87 0.20 . 2 . . . A 141 LEU CD1 . 17615 1 465 . 1 1 45 45 LEU CD2 C 13 23.13 0.20 . 2 . . . A 141 LEU CD2 . 17615 1 466 . 1 1 45 45 LEU N N 15 127.06 0.20 . 1 . . . A 141 LEU N . 17615 1 467 . 1 1 46 46 LEU H H 1 9.15 0.03 . 1 . . . A 142 LEU H . 17615 1 468 . 1 1 46 46 LEU HA H 1 4.90 0.03 . 1 . . . A 142 LEU HA . 17615 1 469 . 1 1 46 46 LEU HB2 H 1 1.25 0.03 . 2 . . . A 142 LEU HB2 . 17615 1 470 . 1 1 46 46 LEU HB3 H 1 1.66 0.03 . 2 . . . A 142 LEU HB3 . 17615 1 471 . 1 1 46 46 LEU HG H 1 1.27 0.03 . 1 . . . A 142 LEU HG . 17615 1 472 . 1 1 46 46 LEU HD11 H 1 0.73 0.03 . 2 . . . A 142 LEU HD11 . 17615 1 473 . 1 1 46 46 LEU HD12 H 1 0.73 0.03 . 2 . . . A 142 LEU HD12 . 17615 1 474 . 1 1 46 46 LEU HD13 H 1 0.73 0.03 . 2 . . . A 142 LEU HD13 . 17615 1 475 . 1 1 46 46 LEU HD21 H 1 0.71 0.03 . 2 . . . A 142 LEU HD21 . 17615 1 476 . 1 1 46 46 LEU HD22 H 1 0.71 0.03 . 2 . . . A 142 LEU HD22 . 17615 1 477 . 1 1 46 46 LEU HD23 H 1 0.71 0.03 . 2 . . . A 142 LEU HD23 . 17615 1 478 . 1 1 46 46 LEU CA C 13 53.65 0.20 . 1 . . . A 142 LEU CA . 17615 1 479 . 1 1 46 46 LEU CB C 13 43.88 0.20 . 1 . . . A 142 LEU CB . 17615 1 480 . 1 1 46 46 LEU CG C 13 27.16 0.20 . 1 . . . A 142 LEU CG . 17615 1 481 . 1 1 46 46 LEU CD1 C 13 25.02 0.20 . 2 . . . A 142 LEU CD1 . 17615 1 482 . 1 1 46 46 LEU CD2 C 13 24.38 0.20 . 2 . . . A 142 LEU CD2 . 17615 1 483 . 1 1 46 46 LEU N N 15 122.56 0.20 . 1 . . . A 142 LEU N . 17615 1 484 . 1 1 47 47 LEU H H 1 9.25 0.03 . 1 . . . A 143 LEU H . 17615 1 485 . 1 1 47 47 LEU HA H 1 4.55 0.03 . 1 . . . A 143 LEU HA . 17615 1 486 . 1 1 47 47 LEU HB2 H 1 1.29 0.03 . 2 . . . A 143 LEU HB2 . 17615 1 487 . 1 1 47 47 LEU HB3 H 1 1.38 0.03 . 2 . . . A 143 LEU HB3 . 17615 1 488 . 1 1 47 47 LEU HG H 1 1.29 0.03 . 1 . . . A 143 LEU HG . 17615 1 489 . 1 1 47 47 LEU HD11 H 1 0.21 0.03 . 2 . . . A 143 LEU HD11 . 17615 1 490 . 1 1 47 47 LEU HD12 H 1 0.21 0.03 . 2 . . . A 143 LEU HD12 . 17615 1 491 . 1 1 47 47 LEU HD13 H 1 0.21 0.03 . 2 . . . A 143 LEU HD13 . 17615 1 492 . 1 1 47 47 LEU HD21 H 1 0.19 0.03 . 2 . . . A 143 LEU HD21 . 17615 1 493 . 1 1 47 47 LEU HD22 H 1 0.19 0.03 . 2 . . . A 143 LEU HD22 . 17615 1 494 . 1 1 47 47 LEU HD23 H 1 0.19 0.03 . 2 . . . A 143 LEU HD23 . 17615 1 495 . 1 1 47 47 LEU CA C 13 55.15 0.20 . 1 . . . A 143 LEU CA . 17615 1 496 . 1 1 47 47 LEU CB C 13 44.33 0.20 . 1 . . . A 143 LEU CB . 17615 1 497 . 1 1 47 47 LEU CG C 13 28.03 0.20 . 1 . . . A 143 LEU CG . 17615 1 498 . 1 1 47 47 LEU CD1 C 13 25.72 0.20 . 2 . . . A 143 LEU CD1 . 17615 1 499 . 1 1 47 47 LEU CD2 C 13 25.33 0.20 . 2 . . . A 143 LEU CD2 . 17615 1 500 . 1 1 47 47 LEU N N 15 129.21 0.20 . 1 . . . A 143 LEU N . 17615 1 501 . 1 1 48 48 ASN H H 1 8.75 0.03 . 1 . . . A 144 ASN H . 17615 1 502 . 1 1 48 48 ASN HA H 1 4.99 0.03 . 1 . . . A 144 ASN HA . 17615 1 503 . 1 1 48 48 ASN HB2 H 1 2.70 0.03 . 2 . . . A 144 ASN HB2 . 17615 1 504 . 1 1 48 48 ASN HB3 H 1 2.89 0.03 . 2 . . . A 144 ASN HB3 . 17615 1 505 . 1 1 48 48 ASN HD21 H 1 7.50 0.03 . 1 . . . A 144 ASN HD21 . 17615 1 506 . 1 1 48 48 ASN HD22 H 1 6.80 0.03 . 1 . . . A 144 ASN HD22 . 17615 1 507 . 1 1 48 48 ASN CA C 13 52.91 0.20 . 1 . . . A 144 ASN CA . 17615 1 508 . 1 1 48 48 ASN CB C 13 39.02 0.20 . 1 . . . A 144 ASN CB . 17615 1 509 . 1 1 48 48 ASN N N 15 120.92 0.20 . 1 . . . A 144 ASN N . 17615 1 510 . 1 1 48 48 ASN ND2 N 15 111.01 0.20 . 1 . . . A 144 ASN ND2 . 17615 1 511 . 1 1 49 49 LEU H H 1 8.36 0.03 . 1 . . . A 145 LEU H . 17615 1 512 . 1 1 49 49 LEU HA H 1 4.66 0.03 . 1 . . . A 145 LEU HA . 17615 1 513 . 1 1 49 49 LEU HB2 H 1 1.58 0.03 . 2 . . . A 145 LEU HB2 . 17615 1 514 . 1 1 49 49 LEU HB3 H 1 1.68 0.03 . 2 . . . A 145 LEU HB3 . 17615 1 515 . 1 1 49 49 LEU HG H 1 1.45 0.03 . 1 . . . A 145 LEU HG . 17615 1 516 . 1 1 49 49 LEU HD11 H 1 0.76 0.03 . 2 . . . A 145 LEU HD11 . 17615 1 517 . 1 1 49 49 LEU HD12 H 1 0.76 0.03 . 2 . . . A 145 LEU HD12 . 17615 1 518 . 1 1 49 49 LEU HD13 H 1 0.76 0.03 . 2 . . . A 145 LEU HD13 . 17615 1 519 . 1 1 49 49 LEU HD21 H 1 0.65 0.03 . 2 . . . A 145 LEU HD21 . 17615 1 520 . 1 1 49 49 LEU HD22 H 1 0.65 0.03 . 2 . . . A 145 LEU HD22 . 17615 1 521 . 1 1 49 49 LEU HD23 H 1 0.65 0.03 . 2 . . . A 145 LEU HD23 . 17615 1 522 . 1 1 49 49 LEU CA C 13 53.70 0.20 . 1 . . . A 145 LEU CA . 17615 1 523 . 1 1 49 49 LEU CB C 13 42.10 0.20 . 1 . . . A 145 LEU CB . 17615 1 524 . 1 1 49 49 LEU CG C 13 26.89 0.20 . 1 . . . A 145 LEU CG . 17615 1 525 . 1 1 49 49 LEU CD1 C 13 25.67 0.20 . 2 . . . A 145 LEU CD1 . 17615 1 526 . 1 1 49 49 LEU CD2 C 13 23.74 0.20 . 2 . . . A 145 LEU CD2 . 17615 1 527 . 1 1 49 49 LEU N N 15 125.56 0.20 . 1 . . . A 145 LEU N . 17615 1 528 . 1 1 50 50 ILE H H 1 8.62 0.03 . 1 . . . A 146 ILE H . 17615 1 529 . 1 1 50 50 ILE HA H 1 3.63 0.03 . 1 . . . A 146 ILE HA . 17615 1 530 . 1 1 50 50 ILE HB H 1 2.33 0.03 . 1 . . . A 146 ILE HB . 17615 1 531 . 1 1 50 50 ILE HG12 H 1 1.53 0.03 . 2 . . . A 146 ILE HG12 . 17615 1 532 . 1 1 50 50 ILE HG13 H 1 1.19 0.03 . 2 . . . A 146 ILE HG13 . 17615 1 533 . 1 1 50 50 ILE HG21 H 1 0.93 0.03 . 1 . . . A 146 ILE HG21 . 17615 1 534 . 1 1 50 50 ILE HG22 H 1 0.93 0.03 . 1 . . . A 146 ILE HG22 . 17615 1 535 . 1 1 50 50 ILE HG23 H 1 0.93 0.03 . 1 . . . A 146 ILE HG23 . 17615 1 536 . 1 1 50 50 ILE HD11 H 1 0.89 0.03 . 1 . . . A 146 ILE HD11 . 17615 1 537 . 1 1 50 50 ILE HD12 H 1 0.89 0.03 . 1 . . . A 146 ILE HD12 . 17615 1 538 . 1 1 50 50 ILE HD13 H 1 0.89 0.03 . 1 . . . A 146 ILE HD13 . 17615 1 539 . 1 1 50 50 ILE CA C 13 64.56 0.20 . 1 . . . A 146 ILE CA . 17615 1 540 . 1 1 50 50 ILE CB C 13 35.57 0.20 . 1 . . . A 146 ILE CB . 17615 1 541 . 1 1 50 50 ILE CG1 C 13 27.87 0.20 . 1 . . . A 146 ILE CG1 . 17615 1 542 . 1 1 50 50 ILE CG2 C 13 17.99 0.20 . 1 . . . A 146 ILE CG2 . 17615 1 543 . 1 1 50 50 ILE CD1 C 13 12.29 0.20 . 1 . . . A 146 ILE CD1 . 17615 1 544 . 1 1 50 50 ILE N N 15 119.42 0.20 . 1 . . . A 146 ILE N . 17615 1 545 . 1 1 51 51 ASN H H 1 8.59 0.03 . 1 . . . A 147 ASN H . 17615 1 546 . 1 1 51 51 ASN HA H 1 4.62 0.03 . 1 . . . A 147 ASN HA . 17615 1 547 . 1 1 51 51 ASN HB2 H 1 2.91 0.03 . 2 . . . A 147 ASN HB2 . 17615 1 548 . 1 1 51 51 ASN HB3 H 1 2.97 0.03 . 2 . . . A 147 ASN HB3 . 17615 1 549 . 1 1 51 51 ASN HD21 H 1 7.61 0.03 . 1 . . . A 147 ASN HD21 . 17615 1 550 . 1 1 51 51 ASN HD22 H 1 6.89 0.03 . 1 . . . A 147 ASN HD22 . 17615 1 551 . 1 1 51 51 ASN CA C 13 53.70 0.20 . 1 . . . A 147 ASN CA . 17615 1 552 . 1 1 51 51 ASN CB C 13 38.31 0.20 . 1 . . . A 147 ASN CB . 17615 1 553 . 1 1 51 51 ASN N N 15 116.70 0.20 . 1 . . . A 147 ASN N . 17615 1 554 . 1 1 51 51 ASN ND2 N 15 112.40 0.20 . 1 . . . A 147 ASN ND2 . 17615 1 555 . 1 1 52 52 LYS H H 1 7.49 0.03 . 1 . . . A 148 LYS H . 17615 1 556 . 1 1 52 52 LYS HA H 1 4.51 0.03 . 1 . . . A 148 LYS HA . 17615 1 557 . 1 1 52 52 LYS HB2 H 1 1.73 0.03 . 2 . . . A 148 LYS HB2 . 17615 1 558 . 1 1 52 52 LYS HB3 H 1 1.85 0.03 . 2 . . . A 148 LYS HB3 . 17615 1 559 . 1 1 52 52 LYS HG2 H 1 1.24 0.03 . 2 . . . A 148 LYS HG2 . 17615 1 560 . 1 1 52 52 LYS HG3 H 1 1.35 0.03 . 2 . . . A 148 LYS HG3 . 17615 1 561 . 1 1 52 52 LYS HD2 H 1 1.65 0.03 . 2 . . . A 148 LYS HD2 . 17615 1 562 . 1 1 52 52 LYS HD3 H 1 1.65 0.03 . 2 . . . A 148 LYS HD3 . 17615 1 563 . 1 1 52 52 LYS HE2 H 1 2.97 0.03 . 2 . . . A 148 LYS HE2 . 17615 1 564 . 1 1 52 52 LYS HE3 H 1 2.97 0.03 . 2 . . . A 148 LYS HE3 . 17615 1 565 . 1 1 52 52 LYS CA C 13 55.48 0.20 . 1 . . . A 148 LYS CA . 17615 1 566 . 1 1 52 52 LYS CB C 13 34.73 0.20 . 1 . . . A 148 LYS CB . 17615 1 567 . 1 1 52 52 LYS CG C 13 23.92 0.20 . 1 . . . A 148 LYS CG . 17615 1 568 . 1 1 52 52 LYS CD C 13 29.26 0.20 . 1 . . . A 148 LYS CD . 17615 1 569 . 1 1 52 52 LYS CE C 13 42.19 0.20 . 1 . . . A 148 LYS CE . 17615 1 570 . 1 1 52 52 LYS N N 15 117.61 0.20 . 1 . . . A 148 LYS N . 17615 1 571 . 1 1 53 53 GLU H H 1 8.37 0.03 . 1 . . . A 149 GLU H . 17615 1 572 . 1 1 53 53 GLU HA H 1 5.07 0.03 . 1 . . . A 149 GLU HA . 17615 1 573 . 1 1 53 53 GLU HB2 H 1 1.83 0.03 . 2 . . . A 149 GLU HB2 . 17615 1 574 . 1 1 53 53 GLU HB3 H 1 1.86 0.03 . 2 . . . A 149 GLU HB3 . 17615 1 575 . 1 1 53 53 GLU HG2 H 1 2.01 0.03 . 2 . . . A 149 GLU HG2 . 17615 1 576 . 1 1 53 53 GLU HG3 H 1 2.13 0.03 . 2 . . . A 149 GLU HG3 . 17615 1 577 . 1 1 53 53 GLU CA C 13 55.35 0.20 . 1 . . . A 149 GLU CA . 17615 1 578 . 1 1 53 53 GLU CB C 13 31.64 0.20 . 1 . . . A 149 GLU CB . 17615 1 579 . 1 1 53 53 GLU CG C 13 36.97 0.20 . 1 . . . A 149 GLU CG . 17615 1 580 . 1 1 53 53 GLU N N 15 121.92 0.20 . 1 . . . A 149 GLU N . 17615 1 581 . 1 1 54 54 ILE H H 1 8.62 0.03 . 1 . . . A 150 ILE H . 17615 1 582 . 1 1 54 54 ILE HA H 1 4.51 0.03 . 1 . . . A 150 ILE HA . 17615 1 583 . 1 1 54 54 ILE HB H 1 1.68 0.03 . 1 . . . A 150 ILE HB . 17615 1 584 . 1 1 54 54 ILE HG12 H 1 1.26 0.03 . 2 . . . A 150 ILE HG12 . 17615 1 585 . 1 1 54 54 ILE HG13 H 1 0.90 0.03 . 2 . . . A 150 ILE HG13 . 17615 1 586 . 1 1 54 54 ILE HG21 H 1 0.72 0.03 . 1 . . . A 150 ILE HG21 . 17615 1 587 . 1 1 54 54 ILE HG22 H 1 0.72 0.03 . 1 . . . A 150 ILE HG22 . 17615 1 588 . 1 1 54 54 ILE HG23 H 1 0.72 0.03 . 1 . . . A 150 ILE HG23 . 17615 1 589 . 1 1 54 54 ILE HD11 H 1 0.67 0.03 . 1 . . . A 150 ILE HD11 . 17615 1 590 . 1 1 54 54 ILE HD12 H 1 0.67 0.03 . 1 . . . A 150 ILE HD12 . 17615 1 591 . 1 1 54 54 ILE HD13 H 1 0.67 0.03 . 1 . . . A 150 ILE HD13 . 17615 1 592 . 1 1 54 54 ILE CA C 13 59.35 0.20 . 1 . . . A 150 ILE CA . 17615 1 593 . 1 1 54 54 ILE CB C 13 41.70 0.20 . 1 . . . A 150 ILE CB . 17615 1 594 . 1 1 54 54 ILE CG1 C 13 26.80 0.20 . 1 . . . A 150 ILE CG1 . 17615 1 595 . 1 1 54 54 ILE CG2 C 13 17.58 0.20 . 1 . . . A 150 ILE CG2 . 17615 1 596 . 1 1 54 54 ILE CD1 C 13 13.66 0.20 . 1 . . . A 150 ILE CD1 . 17615 1 597 . 1 1 54 54 ILE N N 15 121.39 0.20 . 1 . . . A 150 ILE N . 17615 1 598 . 1 1 55 55 LYS H H 1 8.34 0.03 . 1 . . . A 151 LYS H . 17615 1 599 . 1 1 55 55 LYS HA H 1 5.16 0.03 . 1 . . . A 151 LYS HA . 17615 1 600 . 1 1 55 55 LYS HB2 H 1 1.57 0.03 . 2 . . . A 151 LYS HB2 . 17615 1 601 . 1 1 55 55 LYS HB3 H 1 1.62 0.03 . 2 . . . A 151 LYS HB3 . 17615 1 602 . 1 1 55 55 LYS HG2 H 1 1.14 0.03 . 2 . . . A 151 LYS HG2 . 17615 1 603 . 1 1 55 55 LYS HG3 H 1 1.31 0.03 . 2 . . . A 151 LYS HG3 . 17615 1 604 . 1 1 55 55 LYS HD2 H 1 1.57 0.03 . 2 . . . A 151 LYS HD2 . 17615 1 605 . 1 1 55 55 LYS HD3 H 1 1.57 0.03 . 2 . . . A 151 LYS HD3 . 17615 1 606 . 1 1 55 55 LYS HE2 H 1 2.85 0.03 . 2 . . . A 151 LYS HE2 . 17615 1 607 . 1 1 55 55 LYS HE3 H 1 2.85 0.03 . 2 . . . A 151 LYS HE3 . 17615 1 608 . 1 1 55 55 LYS CA C 13 55.18 0.20 . 1 . . . A 151 LYS CA . 17615 1 609 . 1 1 55 55 LYS CB C 13 33.67 0.20 . 1 . . . A 151 LYS CB . 17615 1 610 . 1 1 55 55 LYS CG C 13 25.74 0.20 . 1 . . . A 151 LYS CG . 17615 1 611 . 1 1 55 55 LYS CD C 13 29.54 0.20 . 1 . . . A 151 LYS CD . 17615 1 612 . 1 1 55 55 LYS CE C 13 41.65 0.20 . 1 . . . A 151 LYS CE . 17615 1 613 . 1 1 55 55 LYS N N 15 125.05 0.20 . 1 . . . A 151 LYS N . 17615 1 614 . 1 1 56 56 HIS H H 1 9.10 0.03 . 1 . . . A 152 HIS H . 17615 1 615 . 1 1 56 56 HIS HA H 1 4.73 0.03 . 1 . . . A 152 HIS HA . 17615 1 616 . 1 1 56 56 HIS HB2 H 1 2.40 0.03 . 2 . . . A 152 HIS HB2 . 17615 1 617 . 1 1 56 56 HIS HB3 H 1 2.63 0.03 . 2 . . . A 152 HIS HB3 . 17615 1 618 . 1 1 56 56 HIS HE1 H 1 7.76 0.03 . 1 . . . A 152 HIS HE1 . 17615 1 619 . 1 1 56 56 HIS CA C 13 55.49 0.20 . 1 . . . A 152 HIS CA . 17615 1 620 . 1 1 56 56 HIS CB C 13 35.67 0.20 . 1 . . . A 152 HIS CB . 17615 1 621 . 1 1 56 56 HIS N N 15 125.55 0.20 . 1 . . . A 152 HIS N . 17615 1 622 . 1 1 57 57 SER H H 1 8.10 0.03 . 1 . . . A 153 SER H . 17615 1 623 . 1 1 57 57 SER HA H 1 5.06 0.03 . 1 . . . A 153 SER HA . 17615 1 624 . 1 1 57 57 SER HB2 H 1 3.64 0.03 . 2 . . . A 153 SER HB2 . 17615 1 625 . 1 1 57 57 SER HB3 H 1 3.68 0.03 . 2 . . . A 153 SER HB3 . 17615 1 626 . 1 1 57 57 SER CA C 13 57.05 0.20 . 1 . . . A 153 SER CA . 17615 1 627 . 1 1 57 57 SER CB C 13 62.51 0.20 . 1 . . . A 153 SER CB . 17615 1 628 . 1 1 57 57 SER N N 15 119.92 0.20 . 1 . . . A 153 SER N . 17615 1 629 . 1 1 58 58 VAL H H 1 9.29 0.03 . 1 . . . A 154 VAL H . 17615 1 630 . 1 1 58 58 VAL HA H 1 4.56 0.03 . 1 . . . A 154 VAL HA . 17615 1 631 . 1 1 58 58 VAL HB H 1 2.09 0.03 . 1 . . . A 154 VAL HB . 17615 1 632 . 1 1 58 58 VAL HG11 H 1 1.33 0.03 . 2 . . . A 154 VAL HG11 . 17615 1 633 . 1 1 58 58 VAL HG12 H 1 1.33 0.03 . 2 . . . A 154 VAL HG12 . 17615 1 634 . 1 1 58 58 VAL HG13 H 1 1.33 0.03 . 2 . . . A 154 VAL HG13 . 17615 1 635 . 1 1 58 58 VAL HG21 H 1 0.94 0.03 . 2 . . . A 154 VAL HG21 . 17615 1 636 . 1 1 58 58 VAL HG22 H 1 0.94 0.03 . 2 . . . A 154 VAL HG22 . 17615 1 637 . 1 1 58 58 VAL HG23 H 1 0.94 0.03 . 2 . . . A 154 VAL HG23 . 17615 1 638 . 1 1 58 58 VAL CA C 13 60.64 0.20 . 1 . . . A 154 VAL CA . 17615 1 639 . 1 1 58 58 VAL CB C 13 35.61 0.20 . 1 . . . A 154 VAL CB . 17615 1 640 . 1 1 58 58 VAL CG1 C 13 22.47 0.20 . 2 . . . A 154 VAL CG1 . 17615 1 641 . 1 1 58 58 VAL CG2 C 13 21.80 0.20 . 2 . . . A 154 VAL CG2 . 17615 1 642 . 1 1 58 58 VAL N N 15 129.40 0.20 . 1 . . . A 154 VAL N . 17615 1 643 . 1 1 59 59 LYS H H 1 8.78 0.03 . 1 . . . A 155 LYS H . 17615 1 644 . 1 1 59 59 LYS HA H 1 4.38 0.03 . 1 . . . A 155 LYS HA . 17615 1 645 . 1 1 59 59 LYS HB2 H 1 1.70 0.03 . 2 . . . A 155 LYS HB2 . 17615 1 646 . 1 1 59 59 LYS HB3 H 1 1.93 0.03 . 2 . . . A 155 LYS HB3 . 17615 1 647 . 1 1 59 59 LYS HG2 H 1 1.54 0.03 . 2 . . . A 155 LYS HG2 . 17615 1 648 . 1 1 59 59 LYS HG3 H 1 1.62 0.03 . 2 . . . A 155 LYS HG3 . 17615 1 649 . 1 1 59 59 LYS HD2 H 1 1.58 0.03 . 2 . . . A 155 LYS HD2 . 17615 1 650 . 1 1 59 59 LYS HD3 H 1 1.71 0.03 . 2 . . . A 155 LYS HD3 . 17615 1 651 . 1 1 59 59 LYS HE2 H 1 2.97 0.03 . 2 . . . A 155 LYS HE2 . 17615 1 652 . 1 1 59 59 LYS HE3 H 1 2.97 0.03 . 2 . . . A 155 LYS HE3 . 17615 1 653 . 1 1 59 59 LYS CA C 13 58.28 0.20 . 1 . . . A 155 LYS CA . 17615 1 654 . 1 1 59 59 LYS CB C 13 33.62 0.20 . 1 . . . A 155 LYS CB . 17615 1 655 . 1 1 59 59 LYS CG C 13 25.86 0.20 . 1 . . . A 155 LYS CG . 17615 1 656 . 1 1 59 59 LYS CD C 13 29.59 0.20 . 1 . . . A 155 LYS CD . 17615 1 657 . 1 1 59 59 LYS CE C 13 41.81 0.20 . 1 . . . A 155 LYS CE . 17615 1 658 . 1 1 59 59 LYS N N 15 124.78 0.20 . 1 . . . A 155 LYS N . 17615 1 659 . 1 1 60 60 ASN H H 1 8.48 0.03 . 1 . . . A 156 ASN H . 17615 1 660 . 1 1 60 60 ASN HA H 1 4.55 0.03 . 1 . . . A 156 ASN HA . 17615 1 661 . 1 1 60 60 ASN HB2 H 1 2.64 0.03 . 2 . . . A 156 ASN HB2 . 17615 1 662 . 1 1 60 60 ASN HB3 H 1 2.69 0.03 . 2 . . . A 156 ASN HB3 . 17615 1 663 . 1 1 60 60 ASN HD21 H 1 7.27 0.03 . 1 . . . A 156 ASN HD21 . 17615 1 664 . 1 1 60 60 ASN HD22 H 1 7.11 0.03 . 1 . . . A 156 ASN HD22 . 17615 1 665 . 1 1 60 60 ASN CA C 13 55.30 0.20 . 1 . . . A 156 ASN CA . 17615 1 666 . 1 1 60 60 ASN CB C 13 36.92 0.20 . 1 . . . A 156 ASN CB . 17615 1 667 . 1 1 60 60 ASN N N 15 122.16 0.20 . 1 . . . A 156 ASN N . 17615 1 668 . 1 1 60 60 ASN ND2 N 15 109.20 0.20 . 1 . . . A 156 ASN ND2 . 17615 1 669 . 1 1 61 61 THR H H 1 7.06 0.03 . 1 . . . A 157 THR H . 17615 1 670 . 1 1 61 61 THR HA H 1 4.19 0.03 . 1 . . . A 157 THR HA . 17615 1 671 . 1 1 61 61 THR HB H 1 4.48 0.03 . 1 . . . A 157 THR HB . 17615 1 672 . 1 1 61 61 THR HG21 H 1 1.23 0.03 . 1 . . . A 157 THR HG21 . 17615 1 673 . 1 1 61 61 THR HG22 H 1 1.23 0.03 . 1 . . . A 157 THR HG22 . 17615 1 674 . 1 1 61 61 THR HG23 H 1 1.23 0.03 . 1 . . . A 157 THR HG23 . 17615 1 675 . 1 1 61 61 THR CA C 13 62.07 0.20 . 1 . . . A 157 THR CA . 17615 1 676 . 1 1 61 61 THR CB C 13 68.36 0.20 . 1 . . . A 157 THR CB . 17615 1 677 . 1 1 61 61 THR CG2 C 13 22.45 0.20 . 1 . . . A 157 THR CG2 . 17615 1 678 . 1 1 61 61 THR N N 15 104.53 0.20 . 1 . . . A 157 THR N . 17615 1 679 . 1 1 62 62 GLU H H 1 7.99 0.03 . 1 . . . A 158 GLU H . 17615 1 680 . 1 1 62 62 GLU HA H 1 4.32 0.03 . 1 . . . A 158 GLU HA . 17615 1 681 . 1 1 62 62 GLU HB2 H 1 2.31 0.03 . 2 . . . A 158 GLU HB2 . 17615 1 682 . 1 1 62 62 GLU HB3 H 1 2.55 0.03 . 2 . . . A 158 GLU HB3 . 17615 1 683 . 1 1 62 62 GLU HG2 H 1 2.04 0.03 . 2 . . . A 158 GLU HG2 . 17615 1 684 . 1 1 62 62 GLU HG3 H 1 2.21 0.03 . 2 . . . A 158 GLU HG3 . 17615 1 685 . 1 1 62 62 GLU CA C 13 56.26 0.20 . 1 . . . A 158 GLU CA . 17615 1 686 . 1 1 62 62 GLU CB C 13 29.10 0.20 . 1 . . . A 158 GLU CB . 17615 1 687 . 1 1 62 62 GLU CG C 13 37.55 0.20 . 1 . . . A 158 GLU CG . 17615 1 688 . 1 1 62 62 GLU N N 15 119.56 0.20 . 1 . . . A 158 GLU N . 17615 1 689 . 1 1 63 63 PHE H H 1 7.07 0.03 . 1 . . . A 159 PHE H . 17615 1 690 . 1 1 63 63 PHE HA H 1 5.66 0.03 . 1 . . . A 159 PHE HA . 17615 1 691 . 1 1 63 63 PHE HB2 H 1 2.90 0.03 . 2 . . . A 159 PHE HB2 . 17615 1 692 . 1 1 63 63 PHE HB3 H 1 2.95 0.03 . 2 . . . A 159 PHE HB3 . 17615 1 693 . 1 1 63 63 PHE HD1 H 1 6.95 0.03 . 1 . . . A 159 PHE HD1 . 17615 1 694 . 1 1 63 63 PHE HD2 H 1 6.95 0.03 . 1 . . . A 159 PHE HD2 . 17615 1 695 . 1 1 63 63 PHE HE1 H 1 7.17 0.03 . 1 . . . A 159 PHE HE1 . 17615 1 696 . 1 1 63 63 PHE HE2 H 1 7.17 0.03 . 1 . . . A 159 PHE HE2 . 17615 1 697 . 1 1 63 63 PHE HZ H 1 7.25 0.03 . 1 . . . A 159 PHE HZ . 17615 1 698 . 1 1 63 63 PHE CA C 13 56.06 0.20 . 1 . . . A 159 PHE CA . 17615 1 699 . 1 1 63 63 PHE CB C 13 42.29 0.20 . 1 . . . A 159 PHE CB . 17615 1 700 . 1 1 63 63 PHE N N 15 111.58 0.20 . 1 . . . A 159 PHE N . 17615 1 701 . 1 1 64 64 ARG H H 1 8.95 0.03 . 1 . . . A 160 ARG H . 17615 1 702 . 1 1 64 64 ARG HA H 1 4.74 0.03 . 1 . . . A 160 ARG HA . 17615 1 703 . 1 1 64 64 ARG HB2 H 1 1.70 0.03 . 2 . . . A 160 ARG HB2 . 17615 1 704 . 1 1 64 64 ARG HB3 H 1 1.81 0.03 . 2 . . . A 160 ARG HB3 . 17615 1 705 . 1 1 64 64 ARG HG2 H 1 1.54 0.03 . 2 . . . A 160 ARG HG2 . 17615 1 706 . 1 1 64 64 ARG HG3 H 1 1.54 0.03 . 2 . . . A 160 ARG HG3 . 17615 1 707 . 1 1 64 64 ARG HD2 H 1 3.17 0.03 . 2 . . . A 160 ARG HD2 . 17615 1 708 . 1 1 64 64 ARG HD3 H 1 3.17 0.03 . 2 . . . A 160 ARG HD3 . 17615 1 709 . 1 1 64 64 ARG CA C 13 53.86 0.20 . 1 . . . A 160 ARG CA . 17615 1 710 . 1 1 64 64 ARG CB C 13 33.74 0.20 . 1 . . . A 160 ARG CB . 17615 1 711 . 1 1 64 64 ARG CG C 13 26.53 0.20 . 1 . . . A 160 ARG CG . 17615 1 712 . 1 1 64 64 ARG CD C 13 43.44 0.20 . 1 . . . A 160 ARG CD . 17615 1 713 . 1 1 64 64 ARG N N 15 116.43 0.20 . 1 . . . A 160 ARG N . 17615 1 714 . 1 1 65 65 LYS H H 1 8.99 0.03 . 1 . . . A 161 LYS H . 17615 1 715 . 1 1 65 65 LYS HA H 1 4.38 0.03 . 1 . . . A 161 LYS HA . 17615 1 716 . 1 1 65 65 LYS HB2 H 1 1.66 0.03 . 2 . . . A 161 LYS HB2 . 17615 1 717 . 1 1 65 65 LYS HB3 H 1 1.93 0.03 . 2 . . . A 161 LYS HB3 . 17615 1 718 . 1 1 65 65 LYS HG2 H 1 1.55 0.03 . 2 . . . A 161 LYS HG2 . 17615 1 719 . 1 1 65 65 LYS HG3 H 1 1.66 0.03 . 2 . . . A 161 LYS HG3 . 17615 1 720 . 1 1 65 65 LYS HD2 H 1 1.55 0.03 . 2 . . . A 161 LYS HD2 . 17615 1 721 . 1 1 65 65 LYS HD3 H 1 1.70 0.03 . 2 . . . A 161 LYS HD3 . 17615 1 722 . 1 1 65 65 LYS HE2 H 1 3.01 0.03 . 2 . . . A 161 LYS HE2 . 17615 1 723 . 1 1 65 65 LYS HE3 H 1 3.01 0.03 . 2 . . . A 161 LYS HE3 . 17615 1 724 . 1 1 65 65 LYS CA C 13 58.22 0.20 . 1 . . . A 161 LYS CA . 17615 1 725 . 1 1 65 65 LYS CB C 13 33.83 0.20 . 1 . . . A 161 LYS CB . 17615 1 726 . 1 1 65 65 LYS CG C 13 26.44 0.20 . 1 . . . A 161 LYS CG . 17615 1 727 . 1 1 65 65 LYS CD C 13 29.70 0.20 . 1 . . . A 161 LYS CD . 17615 1 728 . 1 1 65 65 LYS CE C 13 42.10 0.20 . 1 . . . A 161 LYS CE . 17615 1 729 . 1 1 65 65 LYS N N 15 123.14 0.20 . 1 . . . A 161 LYS N . 17615 1 730 . 1 1 66 66 LEU H H 1 7.93 0.03 . 1 . . . A 162 LEU H . 17615 1 731 . 1 1 66 66 LEU HA H 1 4.16 0.03 . 1 . . . A 162 LEU HA . 17615 1 732 . 1 1 66 66 LEU HB2 H 1 1.36 0.03 . 2 . . . A 162 LEU HB2 . 17615 1 733 . 1 1 66 66 LEU HB3 H 1 1.55 0.03 . 2 . . . A 162 LEU HB3 . 17615 1 734 . 1 1 66 66 LEU HG H 1 1.55 0.03 . 1 . . . A 162 LEU HG . 17615 1 735 . 1 1 66 66 LEU HD11 H 1 0.87 0.03 . 2 . . . A 162 LEU HD11 . 17615 1 736 . 1 1 66 66 LEU HD12 H 1 0.87 0.03 . 2 . . . A 162 LEU HD12 . 17615 1 737 . 1 1 66 66 LEU HD13 H 1 0.87 0.03 . 2 . . . A 162 LEU HD13 . 17615 1 738 . 1 1 66 66 LEU HD21 H 1 0.89 0.03 . 2 . . . A 162 LEU HD21 . 17615 1 739 . 1 1 66 66 LEU HD22 H 1 0.89 0.03 . 2 . . . A 162 LEU HD22 . 17615 1 740 . 1 1 66 66 LEU HD23 H 1 0.89 0.03 . 2 . . . A 162 LEU HD23 . 17615 1 741 . 1 1 66 66 LEU CA C 13 57.32 0.20 . 1 . . . A 162 LEU CA . 17615 1 742 . 1 1 66 66 LEU CB C 13 43.63 0.20 . 1 . . . A 162 LEU CB . 17615 1 743 . 1 1 66 66 LEU CG C 13 27.67 0.20 . 1 . . . A 162 LEU CG . 17615 1 744 . 1 1 66 66 LEU CD1 C 13 25.54 0.20 . 2 . . . A 162 LEU CD1 . 17615 1 745 . 1 1 66 66 LEU CD2 C 13 24.31 0.20 . 2 . . . A 162 LEU CD2 . 17615 1 746 . 1 1 66 66 LEU N N 15 131.26 0.20 . 1 . . . A 162 LEU N . 17615 1 stop_ save_