data_16986 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16986 _Entry.Title ; N-terminal domain of the DP1 subunit of an archaeal D-family DNA polymerase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-06-09 _Entry.Accession_date 2010-06-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kazuhiko Yamasaki . . . 16986 2 Ikuo Matsui . . . 16986 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16986 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID archara . 16986 D-family . 16986 'DNA polymerase' . 16986 'helical bundle' . 16986 'small subunit' . 16986 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16986 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 183 16986 '15N chemical shifts' 72 16986 '1H chemical shifts' 537 16986 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 . . 2010-08-12 2010-06-09 update BMRB 'Complete entry citation' 16986 1 . . 2010-07-26 2010-06-09 original author 'original release' 16986 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KXE 'BMRB Entry Tracking System' 16986 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16986 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20598295 _Citation.Full_citation . _Citation.Title 'Solution structure of the N-terminal domain of the archaeal D-family DNA polymerase small subunit reveals evolutionary relationship to eukaryotic B-family polymerases.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full 'FEBS letters' _Citation.Journal_volume 584 _Citation.Journal_issue 15 _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 3370 _Citation.Page_last 3375 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Kazuhiko Yamasaki . . . 16986 1 2 Yuji Urushibata . . . 16986 1 3 Tomoko Yamasaki . . . 16986 1 4 Fumio Arisaka . . . 16986 1 5 Ikuo Matsui . . . 16986 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16986 _Assembly.ID 1 _Assembly.Name 'DP1 subunit' _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 'DP1 subunit' 1 $DP1_subunit A . yes native no no . . . 16986 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DP1_subunit _Entity.Sf_category entity _Entity.Sf_framecode DP1_subunit _Entity.Entry_ID 16986 _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 ; GSHMDEFVKGLMKNGYLITP SAYYLLVGHFNEGKFSLIEL IKFAKSRETFIIDDEIANEF LKSIGAEVELPQEIK ; _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 75 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8252.611 _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 2KXE . "N-Terminal Domain Of The Dp1 Subunit Of An Archaeal D-Family Dna Polymerase" . . . . . 100.00 75 100.00 100.00 3.64e-45 . . . . 16986 1 2 no DBJ BAA29192 . "622aa long hypothetical protein [Pyrococcus horikoshii OT3]" . . . . . 96.00 622 100.00 100.00 1.24e-38 . . . . 16986 1 3 no REF WP_010884237 . "DNA polymerase II small subunit [Pyrococcus horikoshii]" . . . . . 96.00 622 100.00 100.00 1.24e-38 . . . . 16986 1 4 no SP O57863 . "RecName: Full=DNA polymerase II small subunit; Short=Pol II" . . . . . 96.00 622 100.00 100.00 1.24e-38 . . . . 16986 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 -2 GLY . 16986 1 2 -1 SER . 16986 1 3 0 HIS . 16986 1 4 1 MET . 16986 1 5 2 ASP . 16986 1 6 3 GLU . 16986 1 7 4 PHE . 16986 1 8 5 VAL . 16986 1 9 6 LYS . 16986 1 10 7 GLY . 16986 1 11 8 LEU . 16986 1 12 9 MET . 16986 1 13 10 LYS . 16986 1 14 11 ASN . 16986 1 15 12 GLY . 16986 1 16 13 TYR . 16986 1 17 14 LEU . 16986 1 18 15 ILE . 16986 1 19 16 THR . 16986 1 20 17 PRO . 16986 1 21 18 SER . 16986 1 22 19 ALA . 16986 1 23 20 TYR . 16986 1 24 21 TYR . 16986 1 25 22 LEU . 16986 1 26 23 LEU . 16986 1 27 24 VAL . 16986 1 28 25 GLY . 16986 1 29 26 HIS . 16986 1 30 27 PHE . 16986 1 31 28 ASN . 16986 1 32 29 GLU . 16986 1 33 30 GLY . 16986 1 34 31 LYS . 16986 1 35 32 PHE . 16986 1 36 33 SER . 16986 1 37 34 LEU . 16986 1 38 35 ILE . 16986 1 39 36 GLU . 16986 1 40 37 LEU . 16986 1 41 38 ILE . 16986 1 42 39 LYS . 16986 1 43 40 PHE . 16986 1 44 41 ALA . 16986 1 45 42 LYS . 16986 1 46 43 SER . 16986 1 47 44 ARG . 16986 1 48 45 GLU . 16986 1 49 46 THR . 16986 1 50 47 PHE . 16986 1 51 48 ILE . 16986 1 52 49 ILE . 16986 1 53 50 ASP . 16986 1 54 51 ASP . 16986 1 55 52 GLU . 16986 1 56 53 ILE . 16986 1 57 54 ALA . 16986 1 58 55 ASN . 16986 1 59 56 GLU . 16986 1 60 57 PHE . 16986 1 61 58 LEU . 16986 1 62 59 LYS . 16986 1 63 60 SER . 16986 1 64 61 ILE . 16986 1 65 62 GLY . 16986 1 66 63 ALA . 16986 1 67 64 GLU . 16986 1 68 65 VAL . 16986 1 69 66 GLU . 16986 1 70 67 LEU . 16986 1 71 68 PRO . 16986 1 72 69 GLN . 16986 1 73 70 GLU . 16986 1 74 71 ILE . 16986 1 75 72 LYS . 16986 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 16986 1 . SER 2 2 16986 1 . HIS 3 3 16986 1 . MET 4 4 16986 1 . ASP 5 5 16986 1 . GLU 6 6 16986 1 . PHE 7 7 16986 1 . VAL 8 8 16986 1 . LYS 9 9 16986 1 . GLY 10 10 16986 1 . LEU 11 11 16986 1 . MET 12 12 16986 1 . LYS 13 13 16986 1 . ASN 14 14 16986 1 . GLY 15 15 16986 1 . TYR 16 16 16986 1 . LEU 17 17 16986 1 . ILE 18 18 16986 1 . THR 19 19 16986 1 . PRO 20 20 16986 1 . SER 21 21 16986 1 . ALA 22 22 16986 1 . TYR 23 23 16986 1 . TYR 24 24 16986 1 . LEU 25 25 16986 1 . LEU 26 26 16986 1 . VAL 27 27 16986 1 . GLY 28 28 16986 1 . HIS 29 29 16986 1 . PHE 30 30 16986 1 . ASN 31 31 16986 1 . GLU 32 32 16986 1 . GLY 33 33 16986 1 . LYS 34 34 16986 1 . PHE 35 35 16986 1 . SER 36 36 16986 1 . LEU 37 37 16986 1 . ILE 38 38 16986 1 . GLU 39 39 16986 1 . LEU 40 40 16986 1 . ILE 41 41 16986 1 . LYS 42 42 16986 1 . PHE 43 43 16986 1 . ALA 44 44 16986 1 . LYS 45 45 16986 1 . SER 46 46 16986 1 . ARG 47 47 16986 1 . GLU 48 48 16986 1 . THR 49 49 16986 1 . PHE 50 50 16986 1 . ILE 51 51 16986 1 . ILE 52 52 16986 1 . ASP 53 53 16986 1 . ASP 54 54 16986 1 . GLU 55 55 16986 1 . ILE 56 56 16986 1 . ALA 57 57 16986 1 . ASN 58 58 16986 1 . GLU 59 59 16986 1 . PHE 60 60 16986 1 . LEU 61 61 16986 1 . LYS 62 62 16986 1 . SER 63 63 16986 1 . ILE 64 64 16986 1 . GLY 65 65 16986 1 . ALA 66 66 16986 1 . GLU 67 67 16986 1 . VAL 68 68 16986 1 . GLU 69 69 16986 1 . LEU 70 70 16986 1 . PRO 71 71 16986 1 . GLN 72 72 16986 1 . GLU 73 73 16986 1 . ILE 74 74 16986 1 . LYS 75 75 16986 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 16986 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $DP1_subunit . 53953 organism . 'Pyrococcus horikoshii' 'Pyrococcus horikoshii' . . Archaea . Pyrococcus horikoshii . . . . . . . . . . . . . . . . . . . . . 16986 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 16986 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $DP1_subunit . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET15b . . . . . . 16986 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16986 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 150 . . mM . . . . 16986 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16986 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16986 1 4 'DP1 subunit' '[U-99% 15N]' . . 1 $DP1_subunit . . . 0.7 3.3 mM . . . . 16986 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16986 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'sodium phosphate' 'natural abundance' . . . . . . 150 . . mM . . . . 16986 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16986 2 3 'DP1 subunit' '[U-99% 13C; U-99% 15N]' . . 1 $DP1_subunit . . . 0.7 3.3 mM . . . . 16986 2 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 16986 _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' 0.15 . M 16986 1 pH 5.5 . pH 16986 1 pressure 1 . atm 16986 1 temperature 318 . K 16986 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 16986 _Sample_condition_list.ID 2 _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' 0.15 . M 16986 2 pH 5.5 . pH 16986 2 pressure 1 . atm 16986 2 temperature 298 . K 16986 2 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16986 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16986 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16986 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 16986 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16986 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 16986 _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 DMX . 750 . . . 16986 1 2 spectrometer_2 Bruker DMX . 500 . . . 16986 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 16986 _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-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16986 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16986 1 3 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16986 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16986 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16986 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16986 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16986 1 8 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16986 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16986 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16986 1 11 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16986 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16986 1 13 '3D HMQC-NOESY-HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16986 1 14 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16986 1 15 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16986 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 16986 _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 carbons' . . . . ppm 0 external direct 1.000000000 . . . . . . . . . 16986 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16986 1 N 15 'ammonium hydroxide' nitrogen . . . . ppm 0 external direct 1.000000000 . . . . . . . . . 16986 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 16986 _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-1H NOESY' . . . 16986 1 2 '2D 1H-1H TOCSY' . . . 16986 1 3 '2D DQF-COSY' . . . 16986 1 4 '3D HNCACB' . . . 16986 1 5 '3D CBCA(CO)NH' . . . 16986 1 6 '3D HNCA' . . . 16986 1 7 '3D HN(CO)CA' . . . 16986 1 14 '2D 1H-15N HSQC' . . . 16986 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 4 4 MET CA C 13 55.9 0.1 . 1 . . . . 1 MET CA . 16986 1 2 . 1 1 4 4 MET CB C 13 33.6 0.1 . 1 . . . . 1 MET CB . 16986 1 3 . 1 1 5 5 ASP H H 1 7.81 0.01 . 1 . . . . 2 ASP HN . 16986 1 4 . 1 1 5 5 ASP HA H 1 4.67 0.01 . 1 . . . . 2 ASP HA . 16986 1 5 . 1 1 5 5 ASP HB2 H 1 2.80 0.01 . 2 . . . . 2 ASP HB2 . 16986 1 6 . 1 1 5 5 ASP HB3 H 1 3.13 0.01 . 2 . . . . 2 ASP HB3 . 16986 1 7 . 1 1 5 5 ASP CA C 13 53.5 0.1 . 1 . . . . 2 ASP CA . 16986 1 8 . 1 1 5 5 ASP CB C 13 42.4 0.1 . 1 . . . . 2 ASP CB . 16986 1 9 . 1 1 5 5 ASP N N 15 119.5 0.1 . 1 . . . . 2 ASP N . 16986 1 10 . 1 1 6 6 GLU H H 1 8.56 0.01 . 1 . . . . 3 GLU HN . 16986 1 11 . 1 1 6 6 GLU HA H 1 4.06 0.01 . 1 . . . . 3 GLU HA . 16986 1 12 . 1 1 6 6 GLU HB2 H 1 2.22 0.01 . 1 . . . . 3 GLU HB2 . 16986 1 13 . 1 1 6 6 GLU HB3 H 1 2.26 0.01 . 1 . . . . 3 GLU HB3 . 16986 1 14 . 1 1 6 6 GLU HG2 H 1 2.50 0.01 . 2 . . . . 3 GLU HG# . 16986 1 15 . 1 1 6 6 GLU HG3 H 1 2.50 0.01 . 2 . . . . 3 GLU HG# . 16986 1 16 . 1 1 6 6 GLU CA C 13 59.3 0.1 . 1 . . . . 3 GLU CA . 16986 1 17 . 1 1 6 6 GLU CB C 13 29.9 0.1 . 1 . . . . 3 GLU CB . 16986 1 18 . 1 1 6 6 GLU N N 15 115.9 0.1 . 1 . . . . 3 GLU N . 16986 1 19 . 1 1 7 7 PHE H H 1 8.14 0.01 . 1 . . . . 4 PHE HN . 16986 1 20 . 1 1 7 7 PHE HA H 1 4.07 0.01 . 1 . . . . 4 PHE HA . 16986 1 21 . 1 1 7 7 PHE HB2 H 1 3.05 0.01 . 1 . . . . 4 PHE HB2 . 16986 1 22 . 1 1 7 7 PHE HB3 H 1 3.32 0.01 . 1 . . . . 4 PHE HB3 . 16986 1 23 . 1 1 7 7 PHE HD1 H 1 6.49 0.01 . 3 . . . . 4 PHE HD# . 16986 1 24 . 1 1 7 7 PHE HD2 H 1 6.49 0.01 . 3 . . . . 4 PHE HD# . 16986 1 25 . 1 1 7 7 PHE HE1 H 1 6.84 0.01 . 3 . . . . 4 PHE HE# . 16986 1 26 . 1 1 7 7 PHE HE2 H 1 6.84 0.01 . 3 . . . . 4 PHE HE# . 16986 1 27 . 1 1 7 7 PHE CA C 13 59.2 0.1 . 1 . . . . 4 PHE CA . 16986 1 28 . 1 1 7 7 PHE CB C 13 39.6 0.1 . 1 . . . . 4 PHE CB . 16986 1 29 . 1 1 7 7 PHE N N 15 118.3 0.1 . 1 . . . . 4 PHE N . 16986 1 30 . 1 1 8 8 VAL H H 1 8.12 0.01 . 1 . . . . 5 VAL HN . 16986 1 31 . 1 1 8 8 VAL HA H 1 3.23 0.01 . 1 . . . . 5 VAL HA . 16986 1 32 . 1 1 8 8 VAL HB H 1 1.98 0.01 . 1 . . . . 5 VAL HB . 16986 1 33 . 1 1 8 8 VAL HG11 H 1 0.85 0.01 . 2 . . . . 5 VAL HG1# . 16986 1 34 . 1 1 8 8 VAL HG12 H 1 0.85 0.01 . 2 . . . . 5 VAL HG1# . 16986 1 35 . 1 1 8 8 VAL HG13 H 1 0.85 0.01 . 2 . . . . 5 VAL HG1# . 16986 1 36 . 1 1 8 8 VAL HG21 H 1 0.93 0.01 . 2 . . . . 5 VAL HG2# . 16986 1 37 . 1 1 8 8 VAL HG22 H 1 0.93 0.01 . 2 . . . . 5 VAL HG2# . 16986 1 38 . 1 1 8 8 VAL HG23 H 1 0.93 0.01 . 2 . . . . 5 VAL HG2# . 16986 1 39 . 1 1 8 8 VAL CA C 13 66.9 0.1 . 1 . . . . 5 VAL CA . 16986 1 40 . 1 1 8 8 VAL CB C 13 32.1 0.1 . 1 . . . . 5 VAL CB . 16986 1 41 . 1 1 8 8 VAL CG1 C 13 22.0 0.1 . 2 . . . . 5 VAL CG1 . 16986 1 42 . 1 1 8 8 VAL CG2 C 13 24.8 0.1 . 2 . . . . 5 VAL CG2 . 16986 1 43 . 1 1 8 8 VAL N N 15 114.4 0.1 . 1 . . . . 5 VAL N . 16986 1 44 . 1 1 9 9 LYS H H 1 8.50 0.01 . 1 . . . . 6 LYS HN . 16986 1 45 . 1 1 9 9 LYS HA H 1 3.91 0.01 . 1 . . . . 6 LYS HA . 16986 1 46 . 1 1 9 9 LYS HB2 H 1 1.78 0.01 . 2 . . . . 6 LYS HB# . 16986 1 47 . 1 1 9 9 LYS HB3 H 1 1.78 0.01 . 2 . . . . 6 LYS HB# . 16986 1 48 . 1 1 9 9 LYS HD2 H 1 1.64 0.01 . 2 . . . . 6 LYS HD2 . 16986 1 49 . 1 1 9 9 LYS HD3 H 1 1.74 0.01 . 2 . . . . 6 LYS HD3 . 16986 1 50 . 1 1 9 9 LYS HE2 H 1 2.88 0.01 . 2 . . . . 6 LYS HE# . 16986 1 51 . 1 1 9 9 LYS HE3 H 1 2.88 0.01 . 2 . . . . 6 LYS HE# . 16986 1 52 . 1 1 9 9 LYS HG2 H 1 1.35 0.01 . 2 . . . . 6 LYS HG2 . 16986 1 53 . 1 1 9 9 LYS HG3 H 1 1.51 0.01 . 2 . . . . 6 LYS HG3 . 16986 1 54 . 1 1 9 9 LYS CA C 13 60.1 0.1 . 1 . . . . 6 LYS CA . 16986 1 55 . 1 1 9 9 LYS CB C 13 32.8 0.1 . 1 . . . . 6 LYS CB . 16986 1 56 . 1 1 9 9 LYS N N 15 116.1 0.1 . 1 . . . . 6 LYS N . 16986 1 57 . 1 1 10 10 GLY H H 1 8.08 0.01 . 1 . . . . 7 GLY HN . 16986 1 58 . 1 1 10 10 GLY HA2 H 1 3.75 0.01 . 2 . . . . 7 GLY HA2 . 16986 1 59 . 1 1 10 10 GLY HA3 H 1 3.80 0.01 . 2 . . . . 7 GLY HA3 . 16986 1 60 . 1 1 10 10 GLY CA C 13 47.1 0.1 . 1 . . . . 7 GLY CA . 16986 1 61 . 1 1 10 10 GLY N N 15 103.7 0.1 . 1 . . . . 7 GLY N . 16986 1 62 . 1 1 11 11 LEU H H 1 7.66 0.01 . 1 . . . . 8 LEU HN . 16986 1 63 . 1 1 11 11 LEU HA H 1 3.95 0.01 . 1 . . . . 8 LEU HA . 16986 1 64 . 1 1 11 11 LEU HB2 H 1 1.73 0.01 . 1 . . . . 8 LEU HB2 . 16986 1 65 . 1 1 11 11 LEU HB3 H 1 1.23 0.01 . 1 . . . . 8 LEU HB3 . 16986 1 66 . 1 1 11 11 LEU HD11 H 1 0.13 0.01 . 1 . . . . 8 LEU HD1# . 16986 1 67 . 1 1 11 11 LEU HD12 H 1 0.13 0.01 . 1 . . . . 8 LEU HD1# . 16986 1 68 . 1 1 11 11 LEU HD13 H 1 0.13 0.01 . 1 . . . . 8 LEU HD1# . 16986 1 69 . 1 1 11 11 LEU HD21 H 1 0.39 0.01 . 1 . . . . 8 LEU HD2# . 16986 1 70 . 1 1 11 11 LEU HD22 H 1 0.39 0.01 . 1 . . . . 8 LEU HD2# . 16986 1 71 . 1 1 11 11 LEU HD23 H 1 0.39 0.01 . 1 . . . . 8 LEU HD2# . 16986 1 72 . 1 1 11 11 LEU HG H 1 1.40 0.01 . 1 . . . . 8 LEU HG . 16986 1 73 . 1 1 11 11 LEU CA C 13 58.6 0.1 . 1 . . . . 8 LEU CA . 16986 1 74 . 1 1 11 11 LEU CB C 13 41.3 0.1 . 1 . . . . 8 LEU CB . 16986 1 75 . 1 1 11 11 LEU CD1 C 13 26.6 0.1 . 1 . . . . 8 LEU CD1 . 16986 1 76 . 1 1 11 11 LEU CD2 C 13 23.0 0.1 . 1 . . . . 8 LEU CD2 . 16986 1 77 . 1 1 11 11 LEU CG C 13 26.0 0.1 . 1 . . . . 8 LEU CG . 16986 1 78 . 1 1 11 11 LEU N N 15 119.6 0.1 . 1 . . . . 8 LEU N . 16986 1 79 . 1 1 12 12 MET H H 1 8.48 0.01 . 1 . . . . 9 MET HN . 16986 1 80 . 1 1 12 12 MET HA H 1 4.36 0.01 . 1 . . . . 9 MET HA . 16986 1 81 . 1 1 12 12 MET HB2 H 1 2.18 0.01 . 2 . . . . 9 MET HB# . 16986 1 82 . 1 1 12 12 MET HB3 H 1 2.18 0.01 . 2 . . . . 9 MET HB# . 16986 1 83 . 1 1 12 12 MET HE1 H 1 2.03 0.01 . 1 . . . . 9 MET HE# . 16986 1 84 . 1 1 12 12 MET HE2 H 1 2.03 0.01 . 1 . . . . 9 MET HE# . 16986 1 85 . 1 1 12 12 MET HE3 H 1 2.03 0.01 . 1 . . . . 9 MET HE# . 16986 1 86 . 1 1 12 12 MET HG2 H 1 2.59 0.01 . 2 . . . . 9 MET HG2 . 16986 1 87 . 1 1 12 12 MET HG3 H 1 2.69 0.01 . 2 . . . . 9 MET HG3 . 16986 1 88 . 1 1 12 12 MET CA C 13 59.4 0.1 . 1 . . . . 9 MET CA . 16986 1 89 . 1 1 12 12 MET CB C 13 32.5 0.1 . 1 . . . . 9 MET CB . 16986 1 90 . 1 1 12 12 MET N N 15 117.3 0.1 . 1 . . . . 9 MET N . 16986 1 91 . 1 1 13 13 LYS H H 1 8.47 0.01 . 1 . . . . 10 LYS HN . 16986 1 92 . 1 1 13 13 LYS HA H 1 4.11 0.01 . 1 . . . . 10 LYS HA . 16986 1 93 . 1 1 13 13 LYS HB2 H 1 2.01 0.01 . 1 . . . . 10 LYS HB2 . 16986 1 94 . 1 1 13 13 LYS HB3 H 1 1.90 0.01 . 1 . . . . 10 LYS HB3 . 16986 1 95 . 1 1 13 13 LYS HE2 H 1 2.98 0.01 . 2 . . . . 10 LYS HE# . 16986 1 96 . 1 1 13 13 LYS HE3 H 1 2.98 0.01 . 2 . . . . 10 LYS HE# . 16986 1 97 . 1 1 13 13 LYS HG2 H 1 1.57 0.01 . 2 . . . . 10 LYS HG# . 16986 1 98 . 1 1 13 13 LYS HG3 H 1 1.57 0.01 . 2 . . . . 10 LYS HG# . 16986 1 99 . 1 1 13 13 LYS CA C 13 58.8 0.1 . 1 . . . . 10 LYS CA . 16986 1 100 . 1 1 13 13 LYS CB C 13 32.5 0.1 . 1 . . . . 10 LYS CB . 16986 1 101 . 1 1 13 13 LYS N N 15 117.1 0.1 . 1 . . . . 10 LYS N . 16986 1 102 . 1 1 14 14 ASN H H 1 7.36 0.01 . 1 . . . . 11 ASN HN . 16986 1 103 . 1 1 14 14 ASN HA H 1 4.84 0.01 . 1 . . . . 11 ASN HA . 16986 1 104 . 1 1 14 14 ASN HB2 H 1 2.77 0.01 . 1 . . . . 11 ASN HB2 . 16986 1 105 . 1 1 14 14 ASN HB3 H 1 3.15 0.01 . 1 . . . . 11 ASN HB3 . 16986 1 106 . 1 1 14 14 ASN HD21 H 1 7.23 0.01 . 2 . . . . 11 ASN HD21 . 16986 1 107 . 1 1 14 14 ASN HD22 H 1 7.65 0.01 . 2 . . . . 11 ASN HD22 . 16986 1 108 . 1 1 14 14 ASN CA C 13 54.1 0.1 . 1 . . . . 11 ASN CA . 16986 1 109 . 1 1 14 14 ASN CB C 13 42.2 0.1 . 1 . . . . 11 ASN CB . 16986 1 110 . 1 1 14 14 ASN N N 15 111.4 0.1 . 1 . . . . 11 ASN N . 16986 1 111 . 1 1 14 14 ASN ND2 N 15 111.6 0.1 . 1 . . . . 11 ASN ND2 . 16986 1 112 . 1 1 15 15 GLY H H 1 7.98 0.01 . 1 . . . . 12 GLY HN . 16986 1 113 . 1 1 15 15 GLY HA2 H 1 3.57 0.01 . 2 . . . . 12 GLY HA2 . 16986 1 114 . 1 1 15 15 GLY HA3 H 1 4.05 0.01 . 2 . . . . 12 GLY HA3 . 16986 1 115 . 1 1 15 15 GLY CA C 13 45.8 0.1 . 1 . . . . 12 GLY CA . 16986 1 116 . 1 1 15 15 GLY N N 15 104.1 0.1 . 1 . . . . 12 GLY N . 16986 1 117 . 1 1 16 16 TYR H H 1 7.98 0.01 . 1 . . . . 13 TYR HN . 16986 1 118 . 1 1 16 16 TYR HA H 1 4.94 0.01 . 1 . . . . 13 TYR HA . 16986 1 119 . 1 1 16 16 TYR HB2 H 1 2.57 0.01 . 2 . . . . 13 TYR HB# . 16986 1 120 . 1 1 16 16 TYR HB3 H 1 2.57 0.01 . 2 . . . . 13 TYR HB# . 16986 1 121 . 1 1 16 16 TYR HD1 H 1 6.75 0.01 . 3 . . . . 13 TYR HD# . 16986 1 122 . 1 1 16 16 TYR HD2 H 1 6.75 0.01 . 3 . . . . 13 TYR HD# . 16986 1 123 . 1 1 16 16 TYR HE1 H 1 6.84 0.01 . 3 . . . . 13 TYR HE# . 16986 1 124 . 1 1 16 16 TYR HE2 H 1 6.84 0.01 . 3 . . . . 13 TYR HE# . 16986 1 125 . 1 1 16 16 TYR CA C 13 58.1 0.1 . 1 . . . . 13 TYR CA . 16986 1 126 . 1 1 16 16 TYR CB C 13 41.8 0.1 . 1 . . . . 13 TYR CB . 16986 1 127 . 1 1 16 16 TYR N N 15 115.5 0.1 . 1 . . . . 13 TYR N . 16986 1 128 . 1 1 17 17 LEU H H 1 8.40 0.01 . 1 . . . . 14 LEU HN . 16986 1 129 . 1 1 17 17 LEU HA H 1 4.62 0.01 . 1 . . . . 14 LEU HA . 16986 1 130 . 1 1 17 17 LEU HB2 H 1 1.52 0.01 . 1 . . . . 14 LEU HB2 . 16986 1 131 . 1 1 17 17 LEU HB3 H 1 1.45 0.01 . 1 . . . . 14 LEU HB3 . 16986 1 132 . 1 1 17 17 LEU HD11 H 1 0.71 0.01 . 2 . . . . 14 LEU HD1# . 16986 1 133 . 1 1 17 17 LEU HD12 H 1 0.71 0.01 . 2 . . . . 14 LEU HD1# . 16986 1 134 . 1 1 17 17 LEU HD13 H 1 0.71 0.01 . 2 . . . . 14 LEU HD1# . 16986 1 135 . 1 1 17 17 LEU HD21 H 1 0.76 0.01 . 2 . . . . 14 LEU HD2# . 16986 1 136 . 1 1 17 17 LEU HD22 H 1 0.76 0.01 . 2 . . . . 14 LEU HD2# . 16986 1 137 . 1 1 17 17 LEU HD23 H 1 0.76 0.01 . 2 . . . . 14 LEU HD2# . 16986 1 138 . 1 1 17 17 LEU HG H 1 1.55 0.01 . 1 . . . . 14 LEU HG . 16986 1 139 . 1 1 17 17 LEU CA C 13 52.9 0.1 . 1 . . . . 14 LEU CA . 16986 1 140 . 1 1 17 17 LEU CB C 13 45.3 0.1 . 1 . . . . 14 LEU CB . 16986 1 141 . 1 1 17 17 LEU N N 15 116.7 0.1 . 1 . . . . 14 LEU N . 16986 1 142 . 1 1 18 18 ILE H H 1 8.00 0.01 . 1 . . . . 15 ILE HN . 16986 1 143 . 1 1 18 18 ILE HA H 1 5.36 0.01 . 1 . . . . 15 ILE HA . 16986 1 144 . 1 1 18 18 ILE HB H 1 1.44 0.01 . 1 . . . . 15 ILE HB . 16986 1 145 . 1 1 18 18 ILE HD11 H 1 0.72 0.01 . 1 . . . . 15 ILE HD1# . 16986 1 146 . 1 1 18 18 ILE HD12 H 1 0.72 0.01 . 1 . . . . 15 ILE HD1# . 16986 1 147 . 1 1 18 18 ILE HD13 H 1 0.72 0.01 . 1 . . . . 15 ILE HD1# . 16986 1 148 . 1 1 18 18 ILE HG12 H 1 1.54 0.01 . 2 . . . . 15 ILE HG12 . 16986 1 149 . 1 1 18 18 ILE HG13 H 1 1.93 0.01 . 2 . . . . 15 ILE HG13 . 16986 1 150 . 1 1 18 18 ILE HG21 H 1 0.82 0.01 . 1 . . . . 15 ILE HG2# . 16986 1 151 . 1 1 18 18 ILE HG22 H 1 0.82 0.01 . 1 . . . . 15 ILE HG2# . 16986 1 152 . 1 1 18 18 ILE HG23 H 1 0.82 0.01 . 1 . . . . 15 ILE HG2# . 16986 1 153 . 1 1 18 18 ILE CA C 13 58.1 0.1 . 1 . . . . 15 ILE CA . 16986 1 154 . 1 1 18 18 ILE CB C 13 42.5 0.1 . 1 . . . . 15 ILE CB . 16986 1 155 . 1 1 18 18 ILE CD1 C 13 16.3 0.1 . 1 . . . . 15 ILE CD1 . 16986 1 156 . 1 1 18 18 ILE CG2 C 13 15.7 0.1 . 1 . . . . 15 ILE CG2 . 16986 1 157 . 1 1 18 18 ILE N N 15 116.2 0.1 . 1 . . . . 15 ILE N . 16986 1 158 . 1 1 19 19 THR H H 1 8.09 0.01 . 1 . . . . 16 THR HN . 16986 1 159 . 1 1 19 19 THR HA H 1 4.69 0.01 . 1 . . . . 16 THR HA . 16986 1 160 . 1 1 19 19 THR HB H 1 4.79 0.01 . 1 . . . . 16 THR HB . 16986 1 161 . 1 1 19 19 THR HG21 H 1 1.29 0.01 . 1 . . . . 16 THR HG2# . 16986 1 162 . 1 1 19 19 THR HG22 H 1 1.29 0.01 . 1 . . . . 16 THR HG2# . 16986 1 163 . 1 1 19 19 THR HG23 H 1 1.29 0.01 . 1 . . . . 16 THR HG2# . 16986 1 164 . 1 1 19 19 THR CA C 13 59.8 0.1 . 1 . . . . 16 THR CA . 16986 1 165 . 1 1 19 19 THR CB C 13 68.1 0.1 . 1 . . . . 16 THR CB . 16986 1 166 . 1 1 19 19 THR CG2 C 13 22.6 0.1 . 1 . . . . 16 THR CG2 . 16986 1 167 . 1 1 19 19 THR N N 15 114.3 0.1 . 1 . . . . 16 THR N . 16986 1 168 . 1 1 20 20 PRO HA H 1 4.16 0.01 . 1 . . . . 17 PRO HA . 16986 1 169 . 1 1 20 20 PRO HB2 H 1 2.12 0.01 . 2 . . . . 17 PRO HB2 . 16986 1 170 . 1 1 20 20 PRO HB3 H 1 2.37 0.01 . 2 . . . . 17 PRO HB3 . 16986 1 171 . 1 1 20 20 PRO HD2 H 1 3.86 0.01 . 2 . . . . 17 PRO HD2 . 16986 1 172 . 1 1 20 20 PRO HD3 H 1 3.99 0.01 . 2 . . . . 17 PRO HD3 . 16986 1 173 . 1 1 20 20 PRO HG2 H 1 2.19 0.01 . 2 . . . . 17 PRO HG# . 16986 1 174 . 1 1 20 20 PRO HG3 H 1 2.19 0.01 . 2 . . . . 17 PRO HG# . 16986 1 175 . 1 1 20 20 PRO CA C 13 66.1 0.1 . 1 . . . . 17 PRO CA . 16986 1 176 . 1 1 21 21 SER H H 1 8.12 0.01 . 1 . . . . 18 SER HN . 16986 1 177 . 1 1 21 21 SER HA H 1 4.33 0.01 . 1 . . . . 18 SER HA . 16986 1 178 . 1 1 21 21 SER HB2 H 1 3.93 0.01 . 2 . . . . 18 SER HB# . 16986 1 179 . 1 1 21 21 SER HB3 H 1 3.93 0.01 . 2 . . . . 18 SER HB# . 16986 1 180 . 1 1 21 21 SER CA C 13 61.3 0.1 . 1 . . . . 18 SER CA . 16986 1 181 . 1 1 21 21 SER N N 15 105.8 0.1 . 1 . . . . 18 SER N . 16986 1 182 . 1 1 22 22 ALA H H 1 7.41 0.01 . 1 . . . . 19 ALA HN . 16986 1 183 . 1 1 22 22 ALA HA H 1 3.95 0.01 . 1 . . . . 19 ALA HA . 16986 1 184 . 1 1 22 22 ALA HB1 H 1 1.29 0.01 . 1 . . . . 19 ALA HB# . 16986 1 185 . 1 1 22 22 ALA HB2 H 1 1.29 0.01 . 1 . . . . 19 ALA HB# . 16986 1 186 . 1 1 22 22 ALA HB3 H 1 1.29 0.01 . 1 . . . . 19 ALA HB# . 16986 1 187 . 1 1 22 22 ALA CA C 13 55.1 0.1 . 1 . . . . 19 ALA CA . 16986 1 188 . 1 1 22 22 ALA CB C 13 19.3 0.1 . 1 . . . . 19 ALA CB . 16986 1 189 . 1 1 22 22 ALA N N 15 122.5 0.1 . 1 . . . . 19 ALA N . 16986 1 190 . 1 1 23 23 TYR H H 1 8.55 0.01 . 1 . . . . 20 TYR HN . 16986 1 191 . 1 1 23 23 TYR HA H 1 4.00 0.01 . 1 . . . . 20 TYR HA . 16986 1 192 . 1 1 23 23 TYR HB2 H 1 2.76 0.01 . 1 . . . . 20 TYR HB2 . 16986 1 193 . 1 1 23 23 TYR HB3 H 1 3.30 0.01 . 1 . . . . 20 TYR HB3 . 16986 1 194 . 1 1 23 23 TYR HD1 H 1 6.46 0.01 . 3 . . . . 20 TYR HD# . 16986 1 195 . 1 1 23 23 TYR HD2 H 1 6.46 0.01 . 3 . . . . 20 TYR HD# . 16986 1 196 . 1 1 23 23 TYR HE1 H 1 6.89 0.01 . 3 . . . . 20 TYR HE# . 16986 1 197 . 1 1 23 23 TYR HE2 H 1 6.89 0.01 . 3 . . . . 20 TYR HE# . 16986 1 198 . 1 1 23 23 TYR CA C 13 62.5 0.1 . 1 . . . . 20 TYR CA . 16986 1 199 . 1 1 23 23 TYR CB C 13 38.1 0.1 . 1 . . . . 20 TYR CB . 16986 1 200 . 1 1 23 23 TYR N N 15 116.2 0.1 . 1 . . . . 20 TYR N . 16986 1 201 . 1 1 24 24 TYR H H 1 7.97 0.01 . 1 . . . . 21 TYR HN . 16986 1 202 . 1 1 24 24 TYR HA H 1 4.08 0.01 . 1 . . . . 21 TYR HA . 16986 1 203 . 1 1 24 24 TYR HB2 H 1 2.99 0.01 . 1 . . . . 21 TYR HB2 . 16986 1 204 . 1 1 24 24 TYR HB3 H 1 3.20 0.01 . 1 . . . . 21 TYR HB3 . 16986 1 205 . 1 1 24 24 TYR HD1 H 1 7.27 0.01 . 3 . . . . 21 TYR HD# . 16986 1 206 . 1 1 24 24 TYR HD2 H 1 7.27 0.01 . 3 . . . . 21 TYR HD# . 16986 1 207 . 1 1 24 24 TYR HE1 H 1 6.91 0.01 . 3 . . . . 21 TYR HE# . 16986 1 208 . 1 1 24 24 TYR HE2 H 1 6.91 0.01 . 3 . . . . 21 TYR HE# . 16986 1 209 . 1 1 24 24 TYR CA C 13 61.8 0.1 . 1 . . . . 21 TYR CA . 16986 1 210 . 1 1 24 24 TYR CB C 13 38.2 0.1 . 1 . . . . 21 TYR CB . 16986 1 211 . 1 1 24 24 TYR N N 15 113.5 0.1 . 1 . . . . 21 TYR N . 16986 1 212 . 1 1 25 25 LEU H H 1 7.61 0.01 . 1 . . . . 22 LEU HN . 16986 1 213 . 1 1 25 25 LEU HA H 1 4.25 0.01 . 1 . . . . 22 LEU HA . 16986 1 214 . 1 1 25 25 LEU HB2 H 1 1.99 0.01 . 1 . . . . 22 LEU HB2 . 16986 1 215 . 1 1 25 25 LEU HB3 H 1 1.46 0.01 . 1 . . . . 22 LEU HB3 . 16986 1 216 . 1 1 25 25 LEU HD11 H 1 0.92 0.01 . 2 . . . . 22 LEU HD1# . 16986 1 217 . 1 1 25 25 LEU HD12 H 1 0.92 0.01 . 2 . . . . 22 LEU HD1# . 16986 1 218 . 1 1 25 25 LEU HD13 H 1 0.92 0.01 . 2 . . . . 22 LEU HD1# . 16986 1 219 . 1 1 25 25 LEU HD21 H 1 0.93 0.01 . 2 . . . . 22 LEU HD2# . 16986 1 220 . 1 1 25 25 LEU HD22 H 1 0.93 0.01 . 2 . . . . 22 LEU HD2# . 16986 1 221 . 1 1 25 25 LEU HD23 H 1 0.93 0.01 . 2 . . . . 22 LEU HD2# . 16986 1 222 . 1 1 25 25 LEU HG H 1 1.88 0.01 . 1 . . . . 22 LEU HG . 16986 1 223 . 1 1 25 25 LEU CA C 13 57.3 0.1 . 1 . . . . 22 LEU CA . 16986 1 224 . 1 1 25 25 LEU CB C 13 43.5 0.1 . 1 . . . . 22 LEU CB . 16986 1 225 . 1 1 25 25 LEU CD1 C 13 24.1 0.1 . 2 . . . . 22 LEU CD1 . 16986 1 226 . 1 1 25 25 LEU CD2 C 13 25.4 0.1 . 2 . . . . 22 LEU CD2 . 16986 1 227 . 1 1 25 25 LEU N N 15 115.0 0.1 . 1 . . . . 22 LEU N . 16986 1 228 . 1 1 26 26 LEU H H 1 7.67 0.01 . 1 . . . . 23 LEU HN . 16986 1 229 . 1 1 26 26 LEU HA H 1 4.59 0.01 . 1 . . . . 23 LEU HA . 16986 1 230 . 1 1 26 26 LEU HB2 H 1 1.60 0.01 . 2 . . . . 23 LEU HB2 . 16986 1 231 . 1 1 26 26 LEU HB3 H 1 2.01 0.01 . 2 . . . . 23 LEU HB3 . 16986 1 232 . 1 1 26 26 LEU HD11 H 1 0.84 0.01 . 1 . . . . 23 LEU HD1# . 16986 1 233 . 1 1 26 26 LEU HD12 H 1 0.84 0.01 . 1 . . . . 23 LEU HD1# . 16986 1 234 . 1 1 26 26 LEU HD13 H 1 0.84 0.01 . 1 . . . . 23 LEU HD1# . 16986 1 235 . 1 1 26 26 LEU HD21 H 1 0.93 0.01 . 1 . . . . 23 LEU HD2# . 16986 1 236 . 1 1 26 26 LEU HD22 H 1 0.93 0.01 . 1 . . . . 23 LEU HD2# . 16986 1 237 . 1 1 26 26 LEU HD23 H 1 0.93 0.01 . 1 . . . . 23 LEU HD2# . 16986 1 238 . 1 1 26 26 LEU HG H 1 1.56 0.01 . 1 . . . . 23 LEU HG . 16986 1 239 . 1 1 26 26 LEU CA C 13 56.7 0.1 . 1 . . . . 23 LEU CA . 16986 1 240 . 1 1 26 26 LEU CB C 13 45.9 0.1 . 1 . . . . 23 LEU CB . 16986 1 241 . 1 1 26 26 LEU N N 15 111.8 0.1 . 1 . . . . 23 LEU N . 16986 1 242 . 1 1 27 27 VAL H H 1 8.67 0.01 . 1 . . . . 24 VAL HN . 16986 1 243 . 1 1 27 27 VAL HA H 1 3.18 0.01 . 1 . . . . 24 VAL HA . 16986 1 244 . 1 1 27 27 VAL HB H 1 1.32 0.01 . 1 . . . . 24 VAL HB . 16986 1 245 . 1 1 27 27 VAL HG11 H 1 0.55 0.01 . 1 . . . . 24 VAL HG1# . 16986 1 246 . 1 1 27 27 VAL HG12 H 1 0.55 0.01 . 1 . . . . 24 VAL HG1# . 16986 1 247 . 1 1 27 27 VAL HG13 H 1 0.55 0.01 . 1 . . . . 24 VAL HG1# . 16986 1 248 . 1 1 27 27 VAL HG21 H 1 0.88 0.01 . 1 . . . . 24 VAL HG2# . 16986 1 249 . 1 1 27 27 VAL HG22 H 1 0.88 0.01 . 1 . . . . 24 VAL HG2# . 16986 1 250 . 1 1 27 27 VAL HG23 H 1 0.88 0.01 . 1 . . . . 24 VAL HG2# . 16986 1 251 . 1 1 27 27 VAL CA C 13 66.2 0.1 . 1 . . . . 24 VAL CA . 16986 1 252 . 1 1 27 27 VAL CB C 13 30.7 0.1 . 1 . . . . 24 VAL CB . 16986 1 253 . 1 1 27 27 VAL CG1 C 13 19.1 0.1 . 1 . . . . 24 VAL CG1 . 16986 1 254 . 1 1 27 27 VAL CG2 C 13 22.2 0.1 . 1 . . . . 24 VAL CG2 . 16986 1 255 . 1 1 27 27 VAL N N 15 117.4 0.1 . 1 . . . . 24 VAL N . 16986 1 256 . 1 1 28 28 GLY H H 1 8.30 0.01 . 1 . . . . 25 GLY HN . 16986 1 257 . 1 1 28 28 GLY HA2 H 1 3.64 0.01 . 2 . . . . 25 GLY HA2 . 16986 1 258 . 1 1 28 28 GLY HA3 H 1 3.77 0.01 . 2 . . . . 25 GLY HA3 . 16986 1 259 . 1 1 28 28 GLY CA C 13 46.9 0.1 . 1 . . . . 25 GLY CA . 16986 1 260 . 1 1 28 28 GLY N N 15 108.3 0.1 . 1 . . . . 25 GLY N . 16986 1 261 . 1 1 29 29 HIS H H 1 7.11 0.01 . 1 . . . . 26 HIS HN . 16986 1 262 . 1 1 29 29 HIS HA H 1 4.40 0.01 . 1 . . . . 26 HIS HA . 16986 1 263 . 1 1 29 29 HIS HB2 H 1 3.00 0.01 . 1 . . . . 26 HIS HB2 . 16986 1 264 . 1 1 29 29 HIS HB3 H 1 3.34 0.01 . 1 . . . . 26 HIS HB3 . 16986 1 265 . 1 1 29 29 HIS HD2 H 1 7.43 0.01 . 1 . . . . 26 HIS HD2 . 16986 1 266 . 1 1 29 29 HIS HE1 H 1 7.97 0.01 . 1 . . . . 26 HIS HE1 . 16986 1 267 . 1 1 29 29 HIS CA C 13 58.4 0.1 . 1 . . . . 26 HIS CA . 16986 1 268 . 1 1 29 29 HIS CB C 13 30.9 0.1 . 1 . . . . 26 HIS CB . 16986 1 269 . 1 1 29 29 HIS N N 15 115.7 0.1 . 1 . . . . 26 HIS N . 16986 1 270 . 1 1 30 30 PHE H H 1 8.06 0.01 . 1 . . . . 27 PHE HN . 16986 1 271 . 1 1 30 30 PHE HA H 1 3.22 0.01 . 1 . . . . 27 PHE HA . 16986 1 272 . 1 1 30 30 PHE HB2 H 1 2.26 0.01 . 1 . . . . 27 PHE HB2 . 16986 1 273 . 1 1 30 30 PHE HB3 H 1 2.52 0.01 . 1 . . . . 27 PHE HB3 . 16986 1 274 . 1 1 30 30 PHE HD1 H 1 6.63 0.01 . 3 . . . . 27 PHE HD# . 16986 1 275 . 1 1 30 30 PHE HD2 H 1 6.63 0.01 . 3 . . . . 27 PHE HD# . 16986 1 276 . 1 1 30 30 PHE HE1 H 1 7.27 0.01 . 3 . . . . 27 PHE HE# . 16986 1 277 . 1 1 30 30 PHE HE2 H 1 7.27 0.01 . 3 . . . . 27 PHE HE# . 16986 1 278 . 1 1 30 30 PHE HZ H 1 7.37 0.01 . 1 . . . . 27 PHE HZ . 16986 1 279 . 1 1 30 30 PHE CA C 13 61.2 0.1 . 1 . . . . 27 PHE CA . 16986 1 280 . 1 1 30 30 PHE CB C 13 38.4 0.1 . 1 . . . . 27 PHE CB . 16986 1 281 . 1 1 30 30 PHE N N 15 118.6 0.1 . 1 . . . . 27 PHE N . 16986 1 282 . 1 1 31 31 ASN H H 1 8.80 0.01 . 1 . . . . 28 ASN HN . 16986 1 283 . 1 1 31 31 ASN HA H 1 4.23 0.01 . 1 . . . . 28 ASN HA . 16986 1 284 . 1 1 31 31 ASN HB2 H 1 2.83 0.01 . 2 . . . . 28 ASN HB2 . 16986 1 285 . 1 1 31 31 ASN HB3 H 1 2.92 0.01 . 2 . . . . 28 ASN HB3 . 16986 1 286 . 1 1 31 31 ASN HD21 H 1 6.93 0.01 . 2 . . . . 28 ASN HD21 . 16986 1 287 . 1 1 31 31 ASN HD22 H 1 7.45 0.01 . 2 . . . . 28 ASN HD22 . 16986 1 288 . 1 1 31 31 ASN CA C 13 55.4 0.1 . 1 . . . . 28 ASN CA . 16986 1 289 . 1 1 31 31 ASN CB C 13 37.8 0.1 . 1 . . . . 28 ASN CB . 16986 1 290 . 1 1 31 31 ASN N N 15 117.4 0.1 . 1 . . . . 28 ASN N . 16986 1 291 . 1 1 31 31 ASN ND2 N 15 106.9 0.1 . 1 . . . . 28 ASN ND2 . 16986 1 292 . 1 1 32 32 GLU H H 1 7.38 0.01 . 1 . . . . 29 GLU HN . 16986 1 293 . 1 1 32 32 GLU HA H 1 4.27 0.01 . 1 . . . . 29 GLU HA . 16986 1 294 . 1 1 32 32 GLU HB2 H 1 2.01 0.01 . 2 . . . . 29 GLU HB2 . 16986 1 295 . 1 1 32 32 GLU HB3 H 1 2.23 0.01 . 2 . . . . 29 GLU HB3 . 16986 1 296 . 1 1 32 32 GLU HG2 H 1 2.33 0.01 . 2 . . . . 29 GLU HG2 . 16986 1 297 . 1 1 32 32 GLU HG3 H 1 2.44 0.01 . 2 . . . . 29 GLU HG3 . 16986 1 298 . 1 1 32 32 GLU CA C 13 56.1 0.1 . 1 . . . . 29 GLU CA . 16986 1 299 . 1 1 32 32 GLU CB C 13 30.4 0.1 . 1 . . . . 29 GLU CB . 16986 1 300 . 1 1 32 32 GLU N N 15 113.7 0.1 . 1 . . . . 29 GLU N . 16986 1 301 . 1 1 33 33 GLY H H 1 7.71 0.01 . 1 . . . . 30 GLY HN . 16986 1 302 . 1 1 33 33 GLY HA2 H 1 3.72 0.01 . 2 . . . . 30 GLY HA2 . 16986 1 303 . 1 1 33 33 GLY HA3 H 1 3.93 0.01 . 2 . . . . 30 GLY HA3 . 16986 1 304 . 1 1 33 33 GLY CA C 13 45.7 0.1 . 1 . . . . 30 GLY CA . 16986 1 305 . 1 1 33 33 GLY N N 15 104.3 0.1 . 1 . . . . 30 GLY N . 16986 1 306 . 1 1 34 34 LYS H H 1 7.87 0.01 . 1 . . . . 31 LYS HN . 16986 1 307 . 1 1 34 34 LYS HA H 1 4.12 0.01 . 1 . . . . 31 LYS HA . 16986 1 308 . 1 1 34 34 LYS HB2 H 1 1.83 0.01 . 2 . . . . 31 LYS HB2 . 16986 1 309 . 1 1 34 34 LYS HB3 H 1 1.95 0.01 . 2 . . . . 31 LYS HB3 . 16986 1 310 . 1 1 34 34 LYS HD2 H 1 1.74 0.01 . 2 . . . . 31 LYS HD# . 16986 1 311 . 1 1 34 34 LYS HD3 H 1 1.74 0.01 . 2 . . . . 31 LYS HD# . 16986 1 312 . 1 1 34 34 LYS HE2 H 1 3.00 0.01 . 2 . . . . 31 LYS HE# . 16986 1 313 . 1 1 34 34 LYS HE3 H 1 3.00 0.01 . 2 . . . . 31 LYS HE# . 16986 1 314 . 1 1 34 34 LYS HG2 H 1 1.51 0.01 . 2 . . . . 31 LYS HG2 . 16986 1 315 . 1 1 34 34 LYS HG3 H 1 1.65 0.01 . 2 . . . . 31 LYS HG3 . 16986 1 316 . 1 1 34 34 LYS CA C 13 57.2 0.1 . 1 . . . . 31 LYS CA . 16986 1 317 . 1 1 34 34 LYS CB C 13 33.2 0.1 . 1 . . . . 31 LYS CB . 16986 1 318 . 1 1 34 34 LYS N N 15 113.4 0.1 . 1 . . . . 31 LYS N . 16986 1 319 . 1 1 35 35 PHE H H 1 6.93 0.01 . 1 . . . . 32 PHE HN . 16986 1 320 . 1 1 35 35 PHE HA H 1 5.05 0.01 . 1 . . . . 32 PHE HA . 16986 1 321 . 1 1 35 35 PHE HB2 H 1 3.21 0.01 . 2 . . . . 32 PHE HB2 . 16986 1 322 . 1 1 35 35 PHE HB3 H 1 3.35 0.01 . 2 . . . . 32 PHE HB3 . 16986 1 323 . 1 1 35 35 PHE HD1 H 1 7.23 0.01 . 3 . . . . 32 PHE HD# . 16986 1 324 . 1 1 35 35 PHE HD2 H 1 7.23 0.01 . 3 . . . . 32 PHE HD# . 16986 1 325 . 1 1 35 35 PHE HE1 H 1 7.27 0.01 . 3 . . . . 32 PHE HE# . 16986 1 326 . 1 1 35 35 PHE HE2 H 1 7.27 0.01 . 3 . . . . 32 PHE HE# . 16986 1 327 . 1 1 35 35 PHE HZ H 1 7.16 0.01 . 1 . . . . 32 PHE HZ . 16986 1 328 . 1 1 35 35 PHE CA C 13 55.7 0.1 . 1 . . . . 32 PHE CA . 16986 1 329 . 1 1 35 35 PHE CB C 13 41.4 0.1 . 1 . . . . 32 PHE CB . 16986 1 330 . 1 1 35 35 PHE N N 15 105.7 0.1 . 1 . . . . 32 PHE N . 16986 1 331 . 1 1 36 36 SER H H 1 9.06 0.01 . 1 . . . . 33 SER HN . 16986 1 332 . 1 1 36 36 SER HA H 1 4.92 0.01 . 1 . . . . 33 SER HA . 16986 1 333 . 1 1 36 36 SER HB2 H 1 4.02 0.01 . 2 . . . . 33 SER HB2 . 16986 1 334 . 1 1 36 36 SER HB3 H 1 4.33 0.01 . 2 . . . . 33 SER HB3 . 16986 1 335 . 1 1 36 36 SER CA C 13 55.9 0.1 . 1 . . . . 33 SER CA . 16986 1 336 . 1 1 36 36 SER CB C 13 66.4 0.1 . 1 . . . . 33 SER CB . 16986 1 337 . 1 1 36 36 SER N N 15 112.9 0.1 . 1 . . . . 33 SER N . 16986 1 338 . 1 1 37 37 LEU H H 1 9.33 0.01 . 1 . . . . 34 LEU HN . 16986 1 339 . 1 1 37 37 LEU HA H 1 4.10 0.01 . 1 . . . . 34 LEU HA . 16986 1 340 . 1 1 37 37 LEU HB2 H 1 1.74 0.01 . 1 . . . . 34 LEU HB2 . 16986 1 341 . 1 1 37 37 LEU HB3 H 1 1.89 0.01 . 1 . . . . 34 LEU HB3 . 16986 1 342 . 1 1 37 37 LEU HD11 H 1 0.80 0.01 . 1 . . . . 34 LEU HD1# . 16986 1 343 . 1 1 37 37 LEU HD12 H 1 0.80 0.01 . 1 . . . . 34 LEU HD1# . 16986 1 344 . 1 1 37 37 LEU HD13 H 1 0.80 0.01 . 1 . . . . 34 LEU HD1# . 16986 1 345 . 1 1 37 37 LEU HD21 H 1 0.88 0.01 . 1 . . . . 34 LEU HD2# . 16986 1 346 . 1 1 37 37 LEU HD22 H 1 0.88 0.01 . 1 . . . . 34 LEU HD2# . 16986 1 347 . 1 1 37 37 LEU HD23 H 1 0.88 0.01 . 1 . . . . 34 LEU HD2# . 16986 1 348 . 1 1 37 37 LEU HG H 1 1.74 0.01 . 1 . . . . 34 LEU HG . 16986 1 349 . 1 1 37 37 LEU CA C 13 59.0 0.1 . 1 . . . . 34 LEU CA . 16986 1 350 . 1 1 37 37 LEU CB C 13 42.5 0.1 . 1 . . . . 34 LEU CB . 16986 1 351 . 1 1 37 37 LEU CG C 13 27.0 0.1 . 1 . . . . 34 LEU CG . 16986 1 352 . 1 1 37 37 LEU N N 15 121.1 0.1 . 1 . . . . 34 LEU N . 16986 1 353 . 1 1 38 38 ILE H H 1 8.04 0.01 . 1 . . . . 35 ILE HN . 16986 1 354 . 1 1 38 38 ILE HA H 1 3.90 0.01 . 1 . . . . 35 ILE HA . 16986 1 355 . 1 1 38 38 ILE HB H 1 1.93 0.01 . 1 . . . . 35 ILE HB . 16986 1 356 . 1 1 38 38 ILE HD11 H 1 0.94 0.01 . 1 . . . . 35 ILE HD1# . 16986 1 357 . 1 1 38 38 ILE HD12 H 1 0.94 0.01 . 1 . . . . 35 ILE HD1# . 16986 1 358 . 1 1 38 38 ILE HD13 H 1 0.94 0.01 . 1 . . . . 35 ILE HD1# . 16986 1 359 . 1 1 38 38 ILE HG12 H 1 1.43 0.01 . 2 . . . . 35 ILE HG12 . 16986 1 360 . 1 1 38 38 ILE HG13 H 1 1.52 0.01 . 2 . . . . 35 ILE HG13 . 16986 1 361 . 1 1 38 38 ILE HG21 H 1 1.00 0.01 . 1 . . . . 35 ILE HG2# . 16986 1 362 . 1 1 38 38 ILE HG22 H 1 1.00 0.01 . 1 . . . . 35 ILE HG2# . 16986 1 363 . 1 1 38 38 ILE HG23 H 1 1.00 0.01 . 1 . . . . 35 ILE HG2# . 16986 1 364 . 1 1 38 38 ILE CA C 13 62.9 0.1 . 1 . . . . 35 ILE CA . 16986 1 365 . 1 1 38 38 ILE CB C 13 38.0 0.1 . 1 . . . . 35 ILE CB . 16986 1 366 . 1 1 38 38 ILE CD1 C 13 13.5 0.1 . 1 . . . . 35 ILE CD1 . 16986 1 367 . 1 1 38 38 ILE CG1 C 13 28.6 0.1 . 1 . . . . 35 ILE CG1 . 16986 1 368 . 1 1 38 38 ILE CG2 C 13 18.4 0.1 . 1 . . . . 35 ILE CG2 . 16986 1 369 . 1 1 38 38 ILE N N 15 111.6 0.1 . 1 . . . . 35 ILE N . 16986 1 370 . 1 1 39 39 GLU H H 1 7.66 0.01 . 1 . . . . 36 GLU HN . 16986 1 371 . 1 1 39 39 GLU HA H 1 4.08 0.01 . 1 . . . . 36 GLU HA . 16986 1 372 . 1 1 39 39 GLU HB2 H 1 2.67 0.01 . 1 . . . . 36 GLU HB2 . 16986 1 373 . 1 1 39 39 GLU HB3 H 1 2.36 0.01 . 1 . . . . 36 GLU HB3 . 16986 1 374 . 1 1 39 39 GLU HG2 H 1 2.51 0.01 . 2 . . . . 36 GLU HG# . 16986 1 375 . 1 1 39 39 GLU HG3 H 1 2.51 0.01 . 2 . . . . 36 GLU HG# . 16986 1 376 . 1 1 39 39 GLU CA C 13 59.8 0.1 . 1 . . . . 36 GLU CA . 16986 1 377 . 1 1 39 39 GLU CB C 13 30.3 0.1 . 1 . . . . 36 GLU CB . 16986 1 378 . 1 1 39 39 GLU N N 15 117.6 0.1 . 1 . . . . 36 GLU N . 16986 1 379 . 1 1 40 40 LEU H H 1 7.27 0.01 . 1 . . . . 37 LEU HN . 16986 1 380 . 1 1 40 40 LEU HA H 1 3.34 0.01 . 1 . . . . 37 LEU HA . 16986 1 381 . 1 1 40 40 LEU HB2 H 1 0.87 0.01 . 2 . . . . 37 LEU HB2 . 16986 1 382 . 1 1 40 40 LEU HB3 H 1 1.81 0.01 . 2 . . . . 37 LEU HB3 . 16986 1 383 . 1 1 40 40 LEU HD11 H 1 -0.10 0.01 . 1 . . . . 37 LEU HD1# . 16986 1 384 . 1 1 40 40 LEU HD12 H 1 -0.10 0.01 . 1 . . . . 37 LEU HD1# . 16986 1 385 . 1 1 40 40 LEU HD13 H 1 -0.10 0.01 . 1 . . . . 37 LEU HD1# . 16986 1 386 . 1 1 40 40 LEU HD21 H 1 0.81 0.01 . 1 . . . . 37 LEU HD2# . 16986 1 387 . 1 1 40 40 LEU HD22 H 1 0.81 0.01 . 1 . . . . 37 LEU HD2# . 16986 1 388 . 1 1 40 40 LEU HD23 H 1 0.81 0.01 . 1 . . . . 37 LEU HD2# . 16986 1 389 . 1 1 40 40 LEU HG H 1 1.02 0.01 . 1 . . . . 37 LEU HG . 16986 1 390 . 1 1 40 40 LEU CA C 13 57.1 0.1 . 1 . . . . 37 LEU CA . 16986 1 391 . 1 1 40 40 LEU CB C 13 41.3 0.1 . 1 . . . . 37 LEU CB . 16986 1 392 . 1 1 40 40 LEU CD1 C 13 20.8 0.1 . 1 . . . . 37 LEU CD1 . 16986 1 393 . 1 1 40 40 LEU CD2 C 13 28.5 0.1 . 1 . . . . 37 LEU CD2 . 16986 1 394 . 1 1 40 40 LEU CG C 13 27.1 0.1 . 1 . . . . 37 LEU CG . 16986 1 395 . 1 1 40 40 LEU N N 15 117.8 0.1 . 1 . . . . 37 LEU N . 16986 1 396 . 1 1 41 41 ILE H H 1 8.04 0.01 . 1 . . . . 38 ILE HN . 16986 1 397 . 1 1 41 41 ILE HA H 1 2.94 0.01 . 1 . . . . 38 ILE HA . 16986 1 398 . 1 1 41 41 ILE HB H 1 1.66 0.01 . 1 . . . . 38 ILE HB . 16986 1 399 . 1 1 41 41 ILE HD11 H 1 0.61 0.01 . 1 . . . . 38 ILE HD1# . 16986 1 400 . 1 1 41 41 ILE HD12 H 1 0.61 0.01 . 1 . . . . 38 ILE HD1# . 16986 1 401 . 1 1 41 41 ILE HD13 H 1 0.61 0.01 . 1 . . . . 38 ILE HD1# . 16986 1 402 . 1 1 41 41 ILE HG12 H 1 0.35 0.01 . 2 . . . . 38 ILE HG12 . 16986 1 403 . 1 1 41 41 ILE HG13 H 1 1.28 0.01 . 2 . . . . 38 ILE HG13 . 16986 1 404 . 1 1 41 41 ILE HG21 H 1 0.69 0.01 . 1 . . . . 38 ILE HG2# . 16986 1 405 . 1 1 41 41 ILE HG22 H 1 0.69 0.01 . 1 . . . . 38 ILE HG2# . 16986 1 406 . 1 1 41 41 ILE HG23 H 1 0.69 0.01 . 1 . . . . 38 ILE HG2# . 16986 1 407 . 1 1 41 41 ILE CA C 13 65.5 0.1 . 1 . . . . 38 ILE CA . 16986 1 408 . 1 1 41 41 ILE CB C 13 37.5 0.1 . 1 . . . . 38 ILE CB . 16986 1 409 . 1 1 41 41 ILE CG2 C 13 16.6 0.1 . 1 . . . . 38 ILE CG2 . 16986 1 410 . 1 1 41 41 ILE N N 15 116.5 0.1 . 1 . . . . 38 ILE N . 16986 1 411 . 1 1 42 42 LYS H H 1 8.40 0.01 . 1 . . . . 39 LYS HN . 16986 1 412 . 1 1 42 42 LYS HA H 1 3.86 0.01 . 1 . . . . 39 LYS HA . 16986 1 413 . 1 1 42 42 LYS HB2 H 1 1.91 0.01 . 2 . . . . 39 LYS HB# . 16986 1 414 . 1 1 42 42 LYS HB3 H 1 1.91 0.01 . 2 . . . . 39 LYS HB# . 16986 1 415 . 1 1 42 42 LYS HD2 H 1 1.70 0.01 . 2 . . . . 39 LYS HD# . 16986 1 416 . 1 1 42 42 LYS HD3 H 1 1.70 0.01 . 2 . . . . 39 LYS HD# . 16986 1 417 . 1 1 42 42 LYS HE2 H 1 2.99 0.01 . 2 . . . . 39 LYS HE# . 16986 1 418 . 1 1 42 42 LYS HE3 H 1 2.99 0.01 . 2 . . . . 39 LYS HE# . 16986 1 419 . 1 1 42 42 LYS CA C 13 60.1 0.1 . 1 . . . . 39 LYS CA . 16986 1 420 . 1 1 42 42 LYS CB C 13 32.7 0.1 . 1 . . . . 39 LYS CB . 16986 1 421 . 1 1 42 42 LYS N N 15 115.1 0.1 . 1 . . . . 39 LYS N . 16986 1 422 . 1 1 43 43 PHE H H 1 7.74 0.01 . 1 . . . . 40 PHE HN . 16986 1 423 . 1 1 43 43 PHE HA H 1 4.16 0.01 . 1 . . . . 40 PHE HA . 16986 1 424 . 1 1 43 43 PHE HB2 H 1 3.38 0.01 . 1 . . . . 40 PHE HB2 . 16986 1 425 . 1 1 43 43 PHE HB3 H 1 3.11 0.01 . 1 . . . . 40 PHE HB3 . 16986 1 426 . 1 1 43 43 PHE HD1 H 1 7.13 0.01 . 3 . . . . 40 PHE HD# . 16986 1 427 . 1 1 43 43 PHE HD2 H 1 7.13 0.01 . 3 . . . . 40 PHE HD# . 16986 1 428 . 1 1 43 43 PHE HE1 H 1 7.41 0.01 . 3 . . . . 40 PHE HE# . 16986 1 429 . 1 1 43 43 PHE HE2 H 1 7.41 0.01 . 3 . . . . 40 PHE HE# . 16986 1 430 . 1 1 43 43 PHE HZ H 1 7.18 0.01 . 1 . . . . 40 PHE HZ . 16986 1 431 . 1 1 43 43 PHE CA C 13 61.8 0.1 . 1 . . . . 40 PHE CA . 16986 1 432 . 1 1 43 43 PHE CB C 13 40.3 0.1 . 1 . . . . 40 PHE CB . 16986 1 433 . 1 1 43 43 PHE N N 15 118.0 0.1 . 1 . . . . 40 PHE N . 16986 1 434 . 1 1 44 44 ALA H H 1 8.50 0.01 . 1 . . . . 41 ALA HN . 16986 1 435 . 1 1 44 44 ALA HA H 1 3.70 0.01 . 1 . . . . 41 ALA HA . 16986 1 436 . 1 1 44 44 ALA HB1 H 1 1.33 0.01 . 1 . . . . 41 ALA HB# . 16986 1 437 . 1 1 44 44 ALA HB2 H 1 1.33 0.01 . 1 . . . . 41 ALA HB# . 16986 1 438 . 1 1 44 44 ALA HB3 H 1 1.33 0.01 . 1 . . . . 41 ALA HB# . 16986 1 439 . 1 1 44 44 ALA CA C 13 56.0 0.1 . 1 . . . . 41 ALA CA . 16986 1 440 . 1 1 44 44 ALA CB C 13 17.6 0.1 . 1 . . . . 41 ALA CB . 16986 1 441 . 1 1 44 44 ALA N N 15 120.8 0.1 . 1 . . . . 41 ALA N . 16986 1 442 . 1 1 45 45 LYS H H 1 8.83 0.01 . 1 . . . . 42 LYS HN . 16986 1 443 . 1 1 45 45 LYS HA H 1 4.29 0.01 . 1 . . . . 42 LYS HA . 16986 1 444 . 1 1 45 45 LYS HB2 H 1 1.88 0.01 . 2 . . . . 42 LYS HB2 . 16986 1 445 . 1 1 45 45 LYS HB3 H 1 2.05 0.01 . 2 . . . . 42 LYS HB3 . 16986 1 446 . 1 1 45 45 LYS HD2 H 1 1.72 0.01 . 2 . . . . 42 LYS HD# . 16986 1 447 . 1 1 45 45 LYS HD3 H 1 1.72 0.01 . 2 . . . . 42 LYS HD# . 16986 1 448 . 1 1 45 45 LYS HE2 H 1 3.02 0.01 . 2 . . . . 42 LYS HE# . 16986 1 449 . 1 1 45 45 LYS HE3 H 1 3.02 0.01 . 2 . . . . 42 LYS HE# . 16986 1 450 . 1 1 45 45 LYS HG2 H 1 1.47 0.01 . 2 . . . . 42 LYS HG2 . 16986 1 451 . 1 1 45 45 LYS HG3 H 1 1.59 0.01 . 2 . . . . 42 LYS HG3 . 16986 1 452 . 1 1 45 45 LYS CA C 13 59.4 0.1 . 1 . . . . 42 LYS CA . 16986 1 453 . 1 1 45 45 LYS CB C 13 32.4 0.1 . 1 . . . . 42 LYS CB . 16986 1 454 . 1 1 45 45 LYS CE C 13 42.6 0.1 . 1 . . . . 42 LYS CE . 16986 1 455 . 1 1 45 45 LYS N N 15 115.6 0.1 . 1 . . . . 42 LYS N . 16986 1 456 . 1 1 46 46 SER H H 1 7.91 0.01 . 1 . . . . 43 SER HN . 16986 1 457 . 1 1 46 46 SER HA H 1 4.31 0.01 . 1 . . . . 43 SER HA . 16986 1 458 . 1 1 46 46 SER HB2 H 1 3.96 0.01 . 2 . . . . 43 SER HB# . 16986 1 459 . 1 1 46 46 SER HB3 H 1 3.96 0.01 . 2 . . . . 43 SER HB# . 16986 1 460 . 1 1 46 46 SER CA C 13 61.2 0.1 . 1 . . . . 43 SER CA . 16986 1 461 . 1 1 46 46 SER CB C 13 63.2 0.1 . 1 . . . . 43 SER CB . 16986 1 462 . 1 1 46 46 SER N N 15 113.8 0.1 . 1 . . . . 43 SER N . 16986 1 463 . 1 1 47 47 ARG H H 1 7.29 0.01 . 1 . . . . 44 ARG HN . 16986 1 464 . 1 1 47 47 ARG HA H 1 4.32 0.01 . 1 . . . . 44 ARG HA . 16986 1 465 . 1 1 47 47 ARG HB2 H 1 1.51 0.01 . 2 . . . . 44 ARG HB2 . 16986 1 466 . 1 1 47 47 ARG HB3 H 1 2.08 0.01 . 2 . . . . 44 ARG HB3 . 16986 1 467 . 1 1 47 47 ARG HD2 H 1 2.80 0.01 . 2 . . . . 44 ARG HD# . 16986 1 468 . 1 1 47 47 ARG HD3 H 1 2.80 0.01 . 2 . . . . 44 ARG HD# . 16986 1 469 . 1 1 47 47 ARG HE H 1 7.18 0.01 . 1 . . . . 44 ARG HE . 16986 1 470 . 1 1 47 47 ARG HG2 H 1 1.30 0.01 . 2 . . . . 44 ARG HG# . 16986 1 471 . 1 1 47 47 ARG HG3 H 1 1.30 0.01 . 2 . . . . 44 ARG HG# . 16986 1 472 . 1 1 47 47 ARG CA C 13 54.5 0.1 . 1 . . . . 44 ARG CA . 16986 1 473 . 1 1 47 47 ARG CB C 13 29.8 0.1 . 1 . . . . 44 ARG CB . 16986 1 474 . 1 1 47 47 ARG N N 15 117.8 0.1 . 1 . . . . 44 ARG N . 16986 1 475 . 1 1 48 48 GLU H H 1 7.98 0.01 . 1 . . . . 45 GLU HN . 16986 1 476 . 1 1 48 48 GLU HA H 1 3.82 0.01 . 1 . . . . 45 GLU HA . 16986 1 477 . 1 1 48 48 GLU HB2 H 1 2.09 0.01 . 2 . . . . 45 GLU HB2 . 16986 1 478 . 1 1 48 48 GLU HB3 H 1 2.18 0.01 . 2 . . . . 45 GLU HB3 . 16986 1 479 . 1 1 48 48 GLU HG2 H 1 2.17 0.01 . 2 . . . . 45 GLU HG# . 16986 1 480 . 1 1 48 48 GLU HG3 H 1 2.17 0.01 . 2 . . . . 45 GLU HG# . 16986 1 481 . 1 1 48 48 GLU CA C 13 56.6 0.1 . 1 . . . . 45 GLU CA . 16986 1 482 . 1 1 48 48 GLU CB C 13 27.1 0.1 . 1 . . . . 45 GLU CB . 16986 1 483 . 1 1 48 48 GLU N N 15 112.9 0.1 . 1 . . . . 45 GLU N . 16986 1 484 . 1 1 49 49 THR H H 1 7.30 0.01 . 1 . . . . 46 THR HN . 16986 1 485 . 1 1 49 49 THR HA H 1 4.85 0.01 . 1 . . . . 46 THR HA . 16986 1 486 . 1 1 49 49 THR HB H 1 3.93 0.01 . 1 . . . . 46 THR HB . 16986 1 487 . 1 1 49 49 THR HG21 H 1 1.09 0.01 . 1 . . . . 46 THR HG2# . 16986 1 488 . 1 1 49 49 THR HG22 H 1 1.09 0.01 . 1 . . . . 46 THR HG2# . 16986 1 489 . 1 1 49 49 THR HG23 H 1 1.09 0.01 . 1 . . . . 46 THR HG2# . 16986 1 490 . 1 1 49 49 THR CA C 13 59.0 0.1 . 1 . . . . 46 THR CA . 16986 1 491 . 1 1 49 49 THR CB C 13 71.1 0.1 . 1 . . . . 46 THR CB . 16986 1 492 . 1 1 49 49 THR CG2 C 13 19.6 0.1 . 1 . . . . 46 THR CG2 . 16986 1 493 . 1 1 49 49 THR N N 15 107.5 0.1 . 1 . . . . 46 THR N . 16986 1 494 . 1 1 50 50 PHE H H 1 8.06 0.01 . 1 . . . . 47 PHE HN . 16986 1 495 . 1 1 50 50 PHE HA H 1 4.91 0.01 . 1 . . . . 47 PHE HA . 16986 1 496 . 1 1 50 50 PHE HB2 H 1 2.76 0.01 . 2 . . . . 47 PHE HB2 . 16986 1 497 . 1 1 50 50 PHE HB3 H 1 3.01 0.01 . 2 . . . . 47 PHE HB3 . 16986 1 498 . 1 1 50 50 PHE HD1 H 1 6.75 0.01 . 3 . . . . 47 PHE HD# . 16986 1 499 . 1 1 50 50 PHE HD2 H 1 6.75 0.01 . 3 . . . . 47 PHE HD# . 16986 1 500 . 1 1 50 50 PHE HE1 H 1 7.10 0.01 . 3 . . . . 47 PHE HE# . 16986 1 501 . 1 1 50 50 PHE HE2 H 1 7.10 0.01 . 3 . . . . 47 PHE HE# . 16986 1 502 . 1 1 50 50 PHE HZ H 1 7.11 0.01 . 1 . . . . 47 PHE HZ . 16986 1 503 . 1 1 50 50 PHE CA C 13 57.1 0.1 . 1 . . . . 47 PHE CA . 16986 1 504 . 1 1 50 50 PHE CB C 13 39.7 0.1 . 1 . . . . 47 PHE CB . 16986 1 505 . 1 1 51 51 ILE H H 1 8.13 0.01 . 1 . . . . 48 ILE HN . 16986 1 506 . 1 1 51 51 ILE HA H 1 4.44 0.01 . 1 . . . . 48 ILE HA . 16986 1 507 . 1 1 51 51 ILE HB H 1 1.63 0.01 . 1 . . . . 48 ILE HB . 16986 1 508 . 1 1 51 51 ILE HD11 H 1 0.69 0.01 . 1 . . . . 48 ILE HD1# . 16986 1 509 . 1 1 51 51 ILE HD12 H 1 0.69 0.01 . 1 . . . . 48 ILE HD1# . 16986 1 510 . 1 1 51 51 ILE HD13 H 1 0.69 0.01 . 1 . . . . 48 ILE HD1# . 16986 1 511 . 1 1 51 51 ILE HG12 H 1 0.77 0.01 . 2 . . . . 48 ILE HG12 . 16986 1 512 . 1 1 51 51 ILE HG13 H 1 1.16 0.01 . 2 . . . . 48 ILE HG13 . 16986 1 513 . 1 1 51 51 ILE HG21 H 1 0.68 0.01 . 1 . . . . 48 ILE HG2# . 16986 1 514 . 1 1 51 51 ILE HG22 H 1 0.68 0.01 . 1 . . . . 48 ILE HG2# . 16986 1 515 . 1 1 51 51 ILE HG23 H 1 0.68 0.01 . 1 . . . . 48 ILE HG2# . 16986 1 516 . 1 1 51 51 ILE CA C 13 59.9 0.1 . 1 . . . . 48 ILE CA . 16986 1 517 . 1 1 51 51 ILE CB C 13 39.8 0.1 . 1 . . . . 48 ILE CB . 16986 1 518 . 1 1 51 51 ILE N N 15 117.8 0.1 . 1 . . . . 48 ILE N . 16986 1 519 . 1 1 52 52 ILE H H 1 9.08 0.01 . 1 . . . . 49 ILE HN . 16986 1 520 . 1 1 52 52 ILE HA H 1 3.84 0.01 . 1 . . . . 49 ILE HA . 16986 1 521 . 1 1 52 52 ILE HB H 1 2.01 0.01 . 1 . . . . 49 ILE HB . 16986 1 522 . 1 1 52 52 ILE HD11 H 1 0.58 0.01 . 1 . . . . 49 ILE HD1# . 16986 1 523 . 1 1 52 52 ILE HD12 H 1 0.58 0.01 . 1 . . . . 49 ILE HD1# . 16986 1 524 . 1 1 52 52 ILE HD13 H 1 0.58 0.01 . 1 . . . . 49 ILE HD1# . 16986 1 525 . 1 1 52 52 ILE HG12 H 1 1.07 0.01 . 2 . . . . 49 ILE HG12 . 16986 1 526 . 1 1 52 52 ILE HG13 H 1 1.44 0.01 . 2 . . . . 49 ILE HG13 . 16986 1 527 . 1 1 52 52 ILE HG21 H 1 0.76 0.01 . 1 . . . . 49 ILE HG2# . 16986 1 528 . 1 1 52 52 ILE HG22 H 1 0.76 0.01 . 1 . . . . 49 ILE HG2# . 16986 1 529 . 1 1 52 52 ILE HG23 H 1 0.76 0.01 . 1 . . . . 49 ILE HG2# . 16986 1 530 . 1 1 52 52 ILE CA C 13 61.1 0.1 . 1 . . . . 49 ILE CA . 16986 1 531 . 1 1 52 52 ILE CB C 13 36.7 0.1 . 1 . . . . 49 ILE CB . 16986 1 532 . 1 1 52 52 ILE CD1 C 13 13.6 0.1 . 1 . . . . 49 ILE CD1 . 16986 1 533 . 1 1 52 52 ILE CG1 C 13 27.8 0.1 . 1 . . . . 49 ILE CG1 . 16986 1 534 . 1 1 52 52 ILE CG2 C 13 17.8 0.1 . 1 . . . . 49 ILE CG2 . 16986 1 535 . 1 1 52 52 ILE N N 15 124.7 0.1 . 1 . . . . 49 ILE N . 16986 1 536 . 1 1 53 53 ASP H H 1 6.97 0.01 . 1 . . . . 50 ASP HN . 16986 1 537 . 1 1 53 53 ASP HA H 1 5.23 0.01 . 1 . . . . 50 ASP HA . 16986 1 538 . 1 1 53 53 ASP HB2 H 1 2.56 0.01 . 2 . . . . 50 ASP HB2 . 16986 1 539 . 1 1 53 53 ASP HB3 H 1 3.27 0.01 . 2 . . . . 50 ASP HB3 . 16986 1 540 . 1 1 53 53 ASP CA C 13 51.4 0.1 . 1 . . . . 50 ASP CA . 16986 1 541 . 1 1 53 53 ASP CB C 13 42.9 0.1 . 1 . . . . 50 ASP CB . 16986 1 542 . 1 1 53 53 ASP N N 15 122.9 0.1 . 1 . . . . 50 ASP N . 16986 1 543 . 1 1 54 54 ASP H H 1 8.32 0.01 . 1 . . . . 51 ASP HN . 16986 1 544 . 1 1 54 54 ASP HA H 1 3.99 0.01 . 1 . . . . 51 ASP HA . 16986 1 545 . 1 1 54 54 ASP HB2 H 1 2.56 0.01 . 1 . . . . 51 ASP HB2 . 16986 1 546 . 1 1 54 54 ASP HB3 H 1 2.66 0.01 . 1 . . . . 51 ASP HB3 . 16986 1 547 . 1 1 54 54 ASP CA C 13 58.1 0.1 . 1 . . . . 51 ASP CA . 16986 1 548 . 1 1 54 54 ASP CB C 13 40.2 0.1 . 1 . . . . 51 ASP CB . 16986 1 549 . 1 1 54 54 ASP N N 15 114.5 0.1 . 1 . . . . 51 ASP N . 16986 1 550 . 1 1 55 55 GLU H H 1 7.77 0.01 . 1 . . . . 52 GLU HN . 16986 1 551 . 1 1 55 55 GLU HA H 1 4.19 0.01 . 1 . . . . 52 GLU HA . 16986 1 552 . 1 1 55 55 GLU HB2 H 1 2.20 0.01 . 2 . . . . 52 GLU HB# . 16986 1 553 . 1 1 55 55 GLU HB3 H 1 2.20 0.01 . 2 . . . . 52 GLU HB# . 16986 1 554 . 1 1 55 55 GLU HG2 H 1 2.30 0.01 . 2 . . . . 52 GLU HG2 . 16986 1 555 . 1 1 55 55 GLU HG3 H 1 2.39 0.01 . 2 . . . . 52 GLU HG3 . 16986 1 556 . 1 1 55 55 GLU CA C 13 59.8 0.1 . 1 . . . . 52 GLU CA . 16986 1 557 . 1 1 55 55 GLU CB C 13 29.4 0.1 . 1 . . . . 52 GLU CB . 16986 1 558 . 1 1 55 55 GLU N N 15 116.8 0.1 . 1 . . . . 52 GLU N . 16986 1 559 . 1 1 56 56 ILE H H 1 8.11 0.01 . 1 . . . . 53 ILE HN . 16986 1 560 . 1 1 56 56 ILE HA H 1 3.98 0.01 . 1 . . . . 53 ILE HA . 16986 1 561 . 1 1 56 56 ILE HB H 1 2.27 0.01 . 1 . . . . 53 ILE HB . 16986 1 562 . 1 1 56 56 ILE HD11 H 1 0.86 0.01 . 1 . . . . 53 ILE HD1# . 16986 1 563 . 1 1 56 56 ILE HD12 H 1 0.86 0.01 . 1 . . . . 53 ILE HD1# . 16986 1 564 . 1 1 56 56 ILE HD13 H 1 0.86 0.01 . 1 . . . . 53 ILE HD1# . 16986 1 565 . 1 1 56 56 ILE HG12 H 1 1.77 0.01 . 2 . . . . 53 ILE HG12 . 16986 1 566 . 1 1 56 56 ILE HG13 H 1 1.94 0.01 . 2 . . . . 53 ILE HG13 . 16986 1 567 . 1 1 56 56 ILE HG21 H 1 0.99 0.01 . 1 . . . . 53 ILE HG2# . 16986 1 568 . 1 1 56 56 ILE HG22 H 1 0.99 0.01 . 1 . . . . 53 ILE HG2# . 16986 1 569 . 1 1 56 56 ILE HG23 H 1 0.99 0.01 . 1 . . . . 53 ILE HG2# . 16986 1 570 . 1 1 56 56 ILE CA C 13 62.5 0.1 . 1 . . . . 53 ILE CA . 16986 1 571 . 1 1 56 56 ILE CB C 13 36.2 0.1 . 1 . . . . 53 ILE CB . 16986 1 572 . 1 1 56 56 ILE CD1 C 13 10.2 0.1 . 1 . . . . 53 ILE CD1 . 16986 1 573 . 1 1 56 56 ILE CG2 C 13 17.9 0.1 . 1 . . . . 53 ILE CG2 . 16986 1 574 . 1 1 56 56 ILE N N 15 116.1 0.1 . 1 . . . . 53 ILE N . 16986 1 575 . 1 1 57 57 ALA H H 1 8.78 0.01 . 1 . . . . 54 ALA HN . 16986 1 576 . 1 1 57 57 ALA HA H 1 3.84 0.01 . 1 . . . . 54 ALA HA . 16986 1 577 . 1 1 57 57 ALA HB1 H 1 1.44 0.01 . 1 . . . . 54 ALA HB# . 16986 1 578 . 1 1 57 57 ALA HB2 H 1 1.44 0.01 . 1 . . . . 54 ALA HB# . 16986 1 579 . 1 1 57 57 ALA HB3 H 1 1.44 0.01 . 1 . . . . 54 ALA HB# . 16986 1 580 . 1 1 57 57 ALA CA C 13 56.0 0.1 . 1 . . . . 54 ALA CA . 16986 1 581 . 1 1 57 57 ALA CB C 13 19.1 0.1 . 1 . . . . 54 ALA CB . 16986 1 582 . 1 1 57 57 ALA N N 15 117.6 0.1 . 1 . . . . 54 ALA N . 16986 1 583 . 1 1 58 58 ASN H H 1 8.45 0.01 . 1 . . . . 55 ASN HN . 16986 1 584 . 1 1 58 58 ASN HA H 1 4.38 0.01 . 1 . . . . 55 ASN HA . 16986 1 585 . 1 1 58 58 ASN HB2 H 1 2.70 0.01 . 1 . . . . 55 ASN HB2 . 16986 1 586 . 1 1 58 58 ASN HB3 H 1 2.93 0.01 . 1 . . . . 55 ASN HB3 . 16986 1 587 . 1 1 58 58 ASN HD21 H 1 6.71 0.01 . 2 . . . . 55 ASN HD21 . 16986 1 588 . 1 1 58 58 ASN HD22 H 1 7.32 0.01 . 2 . . . . 55 ASN HD22 . 16986 1 589 . 1 1 58 58 ASN CA C 13 56.8 0.1 . 1 . . . . 55 ASN CA . 16986 1 590 . 1 1 58 58 ASN CB C 13 39.3 0.1 . 1 . . . . 55 ASN CB . 16986 1 591 . 1 1 58 58 ASN N N 15 112.0 0.1 . 1 . . . . 55 ASN N . 16986 1 592 . 1 1 58 58 ASN ND2 N 15 108.5 0.1 . 1 . . . . 55 ASN ND2 . 16986 1 593 . 1 1 59 59 GLU H H 1 8.17 0.01 . 1 . . . . 56 GLU HN . 16986 1 594 . 1 1 59 59 GLU HA H 1 4.01 0.01 . 1 . . . . 56 GLU HA . 16986 1 595 . 1 1 59 59 GLU HB2 H 1 2.36 0.01 . 2 . . . . 56 GLU HB# . 16986 1 596 . 1 1 59 59 GLU HB3 H 1 2.36 0.01 . 2 . . . . 56 GLU HB# . 16986 1 597 . 1 1 59 59 GLU HG2 H 1 2.51 0.01 . 2 . . . . 56 GLU HG2 . 16986 1 598 . 1 1 59 59 GLU HG3 H 1 2.65 0.01 . 2 . . . . 56 GLU HG3 . 16986 1 599 . 1 1 59 59 GLU CA C 13 59.4 0.1 . 1 . . . . 56 GLU CA . 16986 1 600 . 1 1 59 59 GLU CB C 13 29.4 0.1 . 1 . . . . 56 GLU CB . 16986 1 601 . 1 1 59 59 GLU CG C 13 36.9 0.1 . 1 . . . . 56 GLU CG . 16986 1 602 . 1 1 59 59 GLU N N 15 116.2 0.1 . 1 . . . . 56 GLU N . 16986 1 603 . 1 1 60 60 PHE H H 1 8.80 0.01 . 1 . . . . 57 PHE HN . 16986 1 604 . 1 1 60 60 PHE HA H 1 2.94 0.01 . 1 . . . . 57 PHE HA . 16986 1 605 . 1 1 60 60 PHE HB2 H 1 2.43 0.01 . 1 . . . . 57 PHE HB2 . 16986 1 606 . 1 1 60 60 PHE HB3 H 1 2.64 0.01 . 1 . . . . 57 PHE HB3 . 16986 1 607 . 1 1 60 60 PHE HD1 H 1 6.19 0.01 . 3 . . . . 57 PHE HD# . 16986 1 608 . 1 1 60 60 PHE HD2 H 1 6.19 0.01 . 3 . . . . 57 PHE HD# . 16986 1 609 . 1 1 60 60 PHE HE1 H 1 5.91 0.01 . 3 . . . . 57 PHE HE# . 16986 1 610 . 1 1 60 60 PHE HE2 H 1 5.91 0.01 . 3 . . . . 57 PHE HE# . 16986 1 611 . 1 1 60 60 PHE HZ H 1 6.51 0.01 . 1 . . . . 57 PHE HZ . 16986 1 612 . 1 1 60 60 PHE CA C 13 60.3 0.1 . 1 . . . . 57 PHE CA . 16986 1 613 . 1 1 60 60 PHE CB C 13 38.5 0.1 . 1 . . . . 57 PHE CB . 16986 1 614 . 1 1 60 60 PHE N N 15 119.4 0.1 . 1 . . . . 57 PHE N . 16986 1 615 . 1 1 61 61 LEU H H 1 8.18 0.01 . 1 . . . . 58 LEU HN . 16986 1 616 . 1 1 61 61 LEU HA H 1 3.40 0.01 . 1 . . . . 58 LEU HA . 16986 1 617 . 1 1 61 61 LEU HB2 H 1 1.84 0.01 . 1 . . . . 58 LEU HB2 . 16986 1 618 . 1 1 61 61 LEU HB3 H 1 1.09 0.01 . 1 . . . . 58 LEU HB3 . 16986 1 619 . 1 1 61 61 LEU HD11 H 1 0.79 0.01 . 1 . . . . 58 LEU HD1# . 16986 1 620 . 1 1 61 61 LEU HD12 H 1 0.79 0.01 . 1 . . . . 58 LEU HD1# . 16986 1 621 . 1 1 61 61 LEU HD13 H 1 0.79 0.01 . 1 . . . . 58 LEU HD1# . 16986 1 622 . 1 1 61 61 LEU HD21 H 1 0.41 0.01 . 1 . . . . 58 LEU HD2# . 16986 1 623 . 1 1 61 61 LEU HD22 H 1 0.41 0.01 . 1 . . . . 58 LEU HD2# . 16986 1 624 . 1 1 61 61 LEU HD23 H 1 0.41 0.01 . 1 . . . . 58 LEU HD2# . 16986 1 625 . 1 1 61 61 LEU HG H 1 1.75 0.01 . 1 . . . . 58 LEU HG . 16986 1 626 . 1 1 61 61 LEU CA C 13 57.5 0.1 . 1 . . . . 58 LEU CA . 16986 1 627 . 1 1 61 61 LEU CB C 13 40.9 0.1 . 1 . . . . 58 LEU CB . 16986 1 628 . 1 1 61 61 LEU CD1 C 13 25.9 0.1 . 1 . . . . 58 LEU CD1 . 16986 1 629 . 1 1 61 61 LEU CD2 C 13 22.3 0.1 . 1 . . . . 58 LEU CD2 . 16986 1 630 . 1 1 61 61 LEU CG C 13 26.9 0.1 . 1 . . . . 58 LEU CG . 16986 1 631 . 1 1 61 61 LEU N N 15 116.4 0.1 . 1 . . . . 58 LEU N . 16986 1 632 . 1 1 62 62 LYS H H 1 7.59 0.01 . 1 . . . . 59 LYS HN . 16986 1 633 . 1 1 62 62 LYS HA H 1 4.02 0.01 . 1 . . . . 59 LYS HA . 16986 1 634 . 1 1 62 62 LYS HB2 H 1 1.85 0.01 . 2 . . . . 59 LYS HB# . 16986 1 635 . 1 1 62 62 LYS HB3 H 1 1.85 0.01 . 2 . . . . 59 LYS HB# . 16986 1 636 . 1 1 62 62 LYS HD2 H 1 1.67 0.01 . 2 . . . . 59 LYS HD# . 16986 1 637 . 1 1 62 62 LYS HD3 H 1 1.67 0.01 . 2 . . . . 59 LYS HD# . 16986 1 638 . 1 1 62 62 LYS HE2 H 1 2.94 0.01 . 2 . . . . 59 LYS HE# . 16986 1 639 . 1 1 62 62 LYS HE3 H 1 2.94 0.01 . 2 . . . . 59 LYS HE# . 16986 1 640 . 1 1 62 62 LYS HG2 H 1 1.39 0.01 . 2 . . . . 59 LYS HG# . 16986 1 641 . 1 1 62 62 LYS HG3 H 1 1.39 0.01 . 2 . . . . 59 LYS HG# . 16986 1 642 . 1 1 62 62 LYS CA C 13 59.2 0.1 . 1 . . . . 59 LYS CA . 16986 1 643 . 1 1 62 62 LYS CB C 13 32.5 0.1 . 1 . . . . 59 LYS CB . 16986 1 644 . 1 1 62 62 LYS N N 15 114.7 0.1 . 1 . . . . 59 LYS N . 16986 1 645 . 1 1 63 63 SER H H 1 7.70 0.01 . 1 . . . . 60 SER HN . 16986 1 646 . 1 1 63 63 SER HA H 1 4.21 0.01 . 1 . . . . 60 SER HA . 16986 1 647 . 1 1 63 63 SER HB2 H 1 3.88 0.01 . 2 . . . . 60 SER HB2 . 16986 1 648 . 1 1 63 63 SER HB3 H 1 3.92 0.01 . 2 . . . . 60 SER HB3 . 16986 1 649 . 1 1 63 63 SER CA C 13 61.4 0.1 . 1 . . . . 60 SER CA . 16986 1 650 . 1 1 63 63 SER CB C 13 63.3 0.1 . 1 . . . . 60 SER CB . 16986 1 651 . 1 1 63 63 SER N N 15 113.8 0.1 . 1 . . . . 60 SER N . 16986 1 652 . 1 1 64 64 ILE H H 1 6.91 0.01 . 1 . . . . 61 ILE HN . 16986 1 653 . 1 1 64 64 ILE HA H 1 4.38 0.01 . 1 . . . . 61 ILE HA . 16986 1 654 . 1 1 64 64 ILE HB H 1 1.99 0.01 . 1 . . . . 61 ILE HB . 16986 1 655 . 1 1 64 64 ILE HD11 H 1 0.42 0.01 . 1 . . . . 61 ILE HD1# . 16986 1 656 . 1 1 64 64 ILE HD12 H 1 0.42 0.01 . 1 . . . . 61 ILE HD1# . 16986 1 657 . 1 1 64 64 ILE HD13 H 1 0.42 0.01 . 1 . . . . 61 ILE HD1# . 16986 1 658 . 1 1 64 64 ILE HG12 H 1 0.72 0.01 . 2 . . . . 61 ILE HG12 . 16986 1 659 . 1 1 64 64 ILE HG13 H 1 0.92 0.01 . 2 . . . . 61 ILE HG13 . 16986 1 660 . 1 1 64 64 ILE HG21 H 1 0.30 0.01 . 1 . . . . 61 ILE HG2# . 16986 1 661 . 1 1 64 64 ILE HG22 H 1 0.30 0.01 . 1 . . . . 61 ILE HG2# . 16986 1 662 . 1 1 64 64 ILE HG23 H 1 0.30 0.01 . 1 . . . . 61 ILE HG2# . 16986 1 663 . 1 1 64 64 ILE CA C 13 61.2 0.1 . 1 . . . . 61 ILE CA . 16986 1 664 . 1 1 64 64 ILE CB C 13 38.1 0.1 . 1 . . . . 61 ILE CB . 16986 1 665 . 1 1 64 64 ILE CD1 C 13 14.7 0.1 . 1 . . . . 61 ILE CD1 . 16986 1 666 . 1 1 64 64 ILE CG2 C 13 17.6 0.1 . 1 . . . . 61 ILE CG2 . 16986 1 667 . 1 1 64 64 ILE N N 15 110.3 0.1 . 1 . . . . 61 ILE N . 16986 1 668 . 1 1 65 65 GLY H H 1 7.58 0.01 . 1 . . . . 62 GLY HN . 16986 1 669 . 1 1 65 65 GLY HA2 H 1 3.83 0.01 . 2 . . . . 62 GLY HA2 . 16986 1 670 . 1 1 65 65 GLY HA3 H 1 3.96 0.01 . 2 . . . . 62 GLY HA3 . 16986 1 671 . 1 1 65 65 GLY CA C 13 46.3 0.1 . 1 . . . . 62 GLY CA . 16986 1 672 . 1 1 65 65 GLY N N 15 107.2 0.1 . 1 . . . . 62 GLY N . 16986 1 673 . 1 1 66 66 ALA H H 1 7.76 0.01 . 1 . . . . 63 ALA HN . 16986 1 674 . 1 1 66 66 ALA HA H 1 4.35 0.01 . 1 . . . . 63 ALA HA . 16986 1 675 . 1 1 66 66 ALA HB1 H 1 1.01 0.01 . 1 . . . . 63 ALA HB# . 16986 1 676 . 1 1 66 66 ALA HB2 H 1 1.01 0.01 . 1 . . . . 63 ALA HB# . 16986 1 677 . 1 1 66 66 ALA HB3 H 1 1.01 0.01 . 1 . . . . 63 ALA HB# . 16986 1 678 . 1 1 66 66 ALA CA C 13 51.7 0.1 . 1 . . . . 63 ALA CA . 16986 1 679 . 1 1 66 66 ALA CB C 13 20.0 0.1 . 1 . . . . 63 ALA CB . 16986 1 680 . 1 1 66 66 ALA N N 15 119.2 0.1 . 1 . . . . 63 ALA N . 16986 1 681 . 1 1 67 67 GLU H H 1 8.07 0.01 . 1 . . . . 64 GLU HN . 16986 1 682 . 1 1 67 67 GLU HA H 1 4.30 0.01 . 1 . . . . 64 GLU HA . 16986 1 683 . 1 1 67 67 GLU HB2 H 1 1.88 0.01 . 2 . . . . 64 GLU HB# . 16986 1 684 . 1 1 67 67 GLU HB3 H 1 1.88 0.01 . 2 . . . . 64 GLU HB# . 16986 1 685 . 1 1 67 67 GLU HG2 H 1 2.26 0.01 . 2 . . . . 64 GLU HG# . 16986 1 686 . 1 1 67 67 GLU HG3 H 1 2.26 0.01 . 2 . . . . 64 GLU HG# . 16986 1 687 . 1 1 67 67 GLU CA C 13 56.1 0.1 . 1 . . . . 64 GLU CA . 16986 1 688 . 1 1 67 67 GLU CB C 13 30.5 0.1 . 1 . . . . 64 GLU CB . 16986 1 689 . 1 1 67 67 GLU N N 15 116.2 0.1 . 1 . . . . 64 GLU N . 16986 1 690 . 1 1 68 68 VAL H H 1 7.99 0.01 . 1 . . . . 65 VAL HN . 16986 1 691 . 1 1 68 68 VAL HA H 1 4.18 0.01 . 1 . . . . 65 VAL HA . 16986 1 692 . 1 1 68 68 VAL HB H 1 2.05 0.01 . 1 . . . . 65 VAL HB . 16986 1 693 . 1 1 68 68 VAL HG11 H 1 0.90 0.01 . 2 . . . . 65 VAL HG# . 16986 1 694 . 1 1 68 68 VAL HG12 H 1 0.90 0.01 . 2 . . . . 65 VAL HG# . 16986 1 695 . 1 1 68 68 VAL HG13 H 1 0.90 0.01 . 2 . . . . 65 VAL HG# . 16986 1 696 . 1 1 68 68 VAL HG21 H 1 0.90 0.01 . 2 . . . . 65 VAL HG# . 16986 1 697 . 1 1 68 68 VAL HG22 H 1 0.90 0.01 . 2 . . . . 65 VAL HG# . 16986 1 698 . 1 1 68 68 VAL HG23 H 1 0.90 0.01 . 2 . . . . 65 VAL HG# . 16986 1 699 . 1 1 68 68 VAL CA C 13 61.8 0.1 . 1 . . . . 65 VAL CA . 16986 1 700 . 1 1 68 68 VAL CB C 13 33.4 0.1 . 1 . . . . 65 VAL CB . 16986 1 701 . 1 1 68 68 VAL CG1 C 13 21.4 0.1 . 2 . . . . 65 VAL CG# . 16986 1 702 . 1 1 68 68 VAL CG2 C 13 21.4 0.1 . 2 . . . . 65 VAL CG# . 16986 1 703 . 1 1 68 68 VAL N N 15 117.4 0.1 . 1 . . . . 65 VAL N . 16986 1 704 . 1 1 69 69 GLU H H 1 8.26 0.01 . 1 . . . . 66 GLU HN . 16986 1 705 . 1 1 69 69 GLU HA H 1 4.36 0.01 . 1 . . . . 66 GLU HA . 16986 1 706 . 1 1 69 69 GLU HB2 H 1 2.00 0.01 . 2 . . . . 66 GLU HB# . 16986 1 707 . 1 1 69 69 GLU HB3 H 1 2.00 0.01 . 2 . . . . 66 GLU HB# . 16986 1 708 . 1 1 69 69 GLU CA C 13 55.9 0.1 . 1 . . . . 66 GLU CA . 16986 1 709 . 1 1 69 69 GLU CB C 13 30.7 0.1 . 1 . . . . 66 GLU CB . 16986 1 710 . 1 1 69 69 GLU N N 15 121.4 0.1 . 1 . . . . 66 GLU N . 16986 1 711 . 1 1 70 70 LEU H H 1 8.19 0.01 . 1 . . . . 67 LEU HN . 16986 1 712 . 1 1 70 70 LEU HA H 1 4.62 0.01 . 1 . . . . 67 LEU HA . 16986 1 713 . 1 1 70 70 LEU HB2 H 1 1.55 0.01 . 2 . . . . 67 LEU HB# . 16986 1 714 . 1 1 70 70 LEU HB3 H 1 1.55 0.01 . 2 . . . . 67 LEU HB# . 16986 1 715 . 1 1 70 70 LEU HD11 H 1 0.89 0.01 . 2 . . . . 67 LEU HD1# . 16986 1 716 . 1 1 70 70 LEU HD12 H 1 0.89 0.01 . 2 . . . . 67 LEU HD1# . 16986 1 717 . 1 1 70 70 LEU HD13 H 1 0.89 0.01 . 2 . . . . 67 LEU HD1# . 16986 1 718 . 1 1 70 70 LEU HD21 H 1 0.91 0.01 . 2 . . . . 67 LEU HD2# . 16986 1 719 . 1 1 70 70 LEU HD22 H 1 0.91 0.01 . 2 . . . . 67 LEU HD2# . 16986 1 720 . 1 1 70 70 LEU HD23 H 1 0.91 0.01 . 2 . . . . 67 LEU HD2# . 16986 1 721 . 1 1 70 70 LEU HG H 1 1.64 0.01 . 1 . . . . 67 LEU HG . 16986 1 722 . 1 1 70 70 LEU CA C 13 52.8 0.1 . 1 . . . . 67 LEU CA . 16986 1 723 . 1 1 70 70 LEU CB C 13 42.2 0.1 . 1 . . . . 67 LEU CB . 16986 1 724 . 1 1 70 70 LEU CD1 C 13 23.8 0.1 . 2 . . . . 67 LEU CD1 . 16986 1 725 . 1 1 70 70 LEU CD2 C 13 25.5 0.1 . 2 . . . . 67 LEU CD2 . 16986 1 726 . 1 1 70 70 LEU CG C 13 27.6 0.1 . 1 . . . . 67 LEU CG . 16986 1 727 . 1 1 70 70 LEU N N 15 122.1 0.1 . 1 . . . . 67 LEU N . 16986 1 728 . 1 1 71 71 PRO HA H 1 4.42 0.01 . 1 . . . . 68 PRO HA . 16986 1 729 . 1 1 71 71 PRO HB2 H 1 1.91 0.01 . 2 . . . . 68 PRO HB2 . 16986 1 730 . 1 1 71 71 PRO HB3 H 1 2.28 0.01 . 2 . . . . 68 PRO HB3 . 16986 1 731 . 1 1 71 71 PRO HD2 H 1 3.63 0.01 . 2 . . . . 68 PRO HD2 . 16986 1 732 . 1 1 71 71 PRO HD3 H 1 3.83 0.01 . 2 . . . . 68 PRO HD3 . 16986 1 733 . 1 1 71 71 PRO HG2 H 1 2.01 0.01 . 2 . . . . 68 PRO HG2 . 16986 1 734 . 1 1 71 71 PRO HG3 H 1 2.27 0.01 . 2 . . . . 68 PRO HG3 . 16986 1 735 . 1 1 71 71 PRO CA C 13 63.1 0.1 . 1 . . . . 68 PRO CA . 16986 1 736 . 1 1 71 71 PRO CB C 13 32.1 0.1 . 1 . . . . 68 PRO CB . 16986 1 737 . 1 1 71 71 PRO CD C 13 51.0 0.1 . 1 . . . . 68 PRO CD . 16986 1 738 . 1 1 71 71 PRO CG C 13 28.1 0.1 . 1 . . . . 68 PRO CG . 16986 1 739 . 1 1 72 72 GLN H H 1 8.27 0.01 . 1 . . . . 69 GLN HN . 16986 1 740 . 1 1 72 72 GLN HA H 1 4.29 0.01 . 1 . . . . 69 GLN HA . 16986 1 741 . 1 1 72 72 GLN HB2 H 1 1.97 0.01 . 2 . . . . 69 GLN HB# . 16986 1 742 . 1 1 72 72 GLN HB3 H 1 1.97 0.01 . 2 . . . . 69 GLN HB# . 16986 1 743 . 1 1 72 72 GLN HE21 H 1 6.74 0.01 . 2 . . . . 69 GLN HE21 . 16986 1 744 . 1 1 72 72 GLN HE22 H 1 7.44 0.01 . 2 . . . . 69 GLN HE22 . 16986 1 745 . 1 1 72 72 GLN HG2 H 1 2.38 0.01 . 2 . . . . 69 GLN HG# . 16986 1 746 . 1 1 72 72 GLN HG3 H 1 2.38 0.01 . 2 . . . . 69 GLN HG# . 16986 1 747 . 1 1 72 72 GLN CA C 13 55.8 0.1 . 1 . . . . 69 GLN CA . 16986 1 748 . 1 1 72 72 GLN CB C 13 29.9 0.1 . 1 . . . . 69 GLN CB . 16986 1 749 . 1 1 72 72 GLN N N 15 117.0 0.1 . 1 . . . . 69 GLN N . 16986 1 750 . 1 1 72 72 GLN NE2 N 15 108.9 0.1 . 1 . . . . 69 GLN NE2 . 16986 1 751 . 1 1 73 73 GLU H H 1 8.31 0.01 . 1 . . . . 70 GLU HN . 16986 1 752 . 1 1 73 73 GLU HA H 1 4.32 0.01 . 1 . . . . 70 GLU HA . 16986 1 753 . 1 1 73 73 GLU HB2 H 1 1.95 0.01 . 2 . . . . 70 GLU HB# . 16986 1 754 . 1 1 73 73 GLU HB3 H 1 1.95 0.01 . 2 . . . . 70 GLU HB# . 16986 1 755 . 1 1 73 73 GLU HG2 H 1 2.26 0.01 . 2 . . . . 70 GLU HG# . 16986 1 756 . 1 1 73 73 GLU HG3 H 1 2.26 0.01 . 2 . . . . 70 GLU HG# . 16986 1 757 . 1 1 73 73 GLU CA C 13 56.4 0.1 . 1 . . . . 70 GLU CA . 16986 1 758 . 1 1 73 73 GLU CB C 13 30.6 0.1 . 1 . . . . 70 GLU CB . 16986 1 759 . 1 1 73 73 GLU N N 15 118.5 0.1 . 1 . . . . 70 GLU N . 16986 1 760 . 1 1 74 74 ILE H H 1 8.04 0.01 . 1 . . . . 71 ILE HN . 16986 1 761 . 1 1 74 74 ILE HA H 1 4.17 0.01 . 1 . . . . 71 ILE HA . 16986 1 762 . 1 1 74 74 ILE HB H 1 1.86 0.01 . 1 . . . . 71 ILE HB . 16986 1 763 . 1 1 74 74 ILE HD11 H 1 0.83 0.01 . 1 . . . . 71 ILE HD1# . 16986 1 764 . 1 1 74 74 ILE HD12 H 1 0.83 0.01 . 1 . . . . 71 ILE HD1# . 16986 1 765 . 1 1 74 74 ILE HD13 H 1 0.83 0.01 . 1 . . . . 71 ILE HD1# . 16986 1 766 . 1 1 74 74 ILE HG12 H 1 1.17 0.01 . 2 . . . . 71 ILE HG12 . 16986 1 767 . 1 1 74 74 ILE HG13 H 1 1.46 0.01 . 2 . . . . 71 ILE HG13 . 16986 1 768 . 1 1 74 74 ILE HG21 H 1 0.89 0.01 . 1 . . . . 71 ILE HG2# . 16986 1 769 . 1 1 74 74 ILE HG22 H 1 0.89 0.01 . 1 . . . . 71 ILE HG2# . 16986 1 770 . 1 1 74 74 ILE HG23 H 1 0.89 0.01 . 1 . . . . 71 ILE HG2# . 16986 1 771 . 1 1 74 74 ILE CA C 13 61.1 0.1 . 1 . . . . 71 ILE CA . 16986 1 772 . 1 1 74 74 ILE CB C 13 38.7 0.1 . 1 . . . . 71 ILE CB . 16986 1 773 . 1 1 74 74 ILE CD1 C 13 13.4 0.1 . 1 . . . . 71 ILE CD1 . 16986 1 774 . 1 1 74 74 ILE CG1 C 13 27.6 0.1 . 1 . . . . 71 ILE CG1 . 16986 1 775 . 1 1 74 74 ILE CG2 C 13 18.0 0.1 . 1 . . . . 71 ILE CG2 . 16986 1 776 . 1 1 74 74 ILE N N 15 119.6 0.1 . 1 . . . . 71 ILE N . 16986 1 777 . 1 1 75 75 LYS H H 1 7.77 0.01 . 1 . . . . 72 LYS HN . 16986 1 778 . 1 1 75 75 LYS HA H 1 4.19 0.01 . 1 . . . . 72 LYS HA . 16986 1 779 . 1 1 75 75 LYS HB2 H 1 1.75 0.01 . 2 . . . . 72 LYS HB2 . 16986 1 780 . 1 1 75 75 LYS HB3 H 1 1.85 0.01 . 2 . . . . 72 LYS HB3 . 16986 1 781 . 1 1 75 75 LYS HD2 H 1 1.71 0.01 . 2 . . . . 72 LYS HD# . 16986 1 782 . 1 1 75 75 LYS HD3 H 1 1.71 0.01 . 2 . . . . 72 LYS HD# . 16986 1 783 . 1 1 75 75 LYS HE2 H 1 3.02 0.01 . 2 . . . . 72 LYS HE# . 16986 1 784 . 1 1 75 75 LYS HE3 H 1 3.02 0.01 . 2 . . . . 72 LYS HE# . 16986 1 785 . 1 1 75 75 LYS HG2 H 1 1.40 0.01 . 2 . . . . 72 LYS HG# . 16986 1 786 . 1 1 75 75 LYS HG3 H 1 1.40 0.01 . 2 . . . . 72 LYS HG# . 16986 1 787 . 1 1 75 75 LYS CA C 13 57.5 0.1 . 1 . . . . 72 LYS CA . 16986 1 788 . 1 1 75 75 LYS CB C 13 34.1 0.1 . 1 . . . . 72 LYS CB . 16986 1 789 . 1 1 75 75 LYS CD C 13 29.6 0.1 . 1 . . . . 72 LYS CD . 16986 1 790 . 1 1 75 75 LYS CE C 13 42.6 0.1 . 1 . . . . 72 LYS CE . 16986 1 791 . 1 1 75 75 LYS CG C 13 25.1 0.1 . 1 . . . . 72 LYS CG . 16986 1 792 . 1 1 75 75 LYS N N 15 127.6 0.1 . 1 . . . . 72 LYS N . 16986 1 stop_ save_