data_16534 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16534 _Entry.Title ; DICER LIKE protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-09-30 _Entry.Accession_date 2009-09-30 _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 Haina Qin . . . 16534 2 Jianxing Song . . . 16534 3 'Adam, Yu-Ren' Yuan . . . 16534 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' . 16534 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DICER-LIKE protein' . 16534 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16534 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 246 16534 '15N chemical shifts' 85 16534 '1H chemical shifts' 514 16534 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 4 . . 2012-12-07 2009-09-30 update BMRB 'delete outlier: 80 ASN ND2 11.589' 16534 3 . . 2010-06-03 2009-09-30 update BMRB 'edit entity/assembly name' 16534 2 . . 2010-03-01 2009-09-30 update BMRB 'completed entry citation' 16534 1 . . 2010-02-08 2009-09-30 original author 'original release' 16534 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KOU 'BMRB Entry Tracking System' 16534 stop_ save_ ############### # Citations # ############### save_1 _Citation.Sf_category citations _Citation.Sf_framecode 1 _Citation.Entry_ID 16534 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20106953 _Citation.Full_citation . _Citation.Title 'Structure of the Arabidopsis thaliana DCL4 DUF283 domain reveals a noncanonical double-stranded RNA-binding fold for protein-protein interaction.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev RNA _Citation.Journal_name_full 'RNA (New York, N.Y.)' _Citation.Journal_volume 16 _Citation.Journal_issue 3 _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 474 _Citation.Page_last 481 _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 Haina Qin . . . 16534 1 2 Fading Chen . . . 16534 1 3 Xuelu Huan . . . 16534 1 4 Satoru Machida . . . 16534 1 5 Jianxing Song . . . 16534 1 6 'Y. Adam' Yuan . . . 16534 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16534 _Assembly.ID 1 _Assembly.Name 'DCL4 DUF283' _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 DCL4_DUF283 1 $protein A . yes native no no . . . 16534 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_protein _Entity.Sf_category entity _Entity.Sf_framecode protein _Entity.Entry_ID 16534 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DCL4_DUF283 _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 ; ISGGSSISMMYKYCSRLPHD EFFQPKPEFQFKPVDEFGGT ICRITLPANAPISEIESSLL PSTEAAKKDACLKAVHELHN LGVLNDFLLPDSKDEIEDEL SD ; _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 102 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 2KOU . "Dicer Like Protein" . . . . . 100.00 102 100.00 100.00 4.79e-67 . . . . 16534 1 2 no GB AAZ80387 . "dicer-like 4 [Arabidopsis thaliana]" . . . . . 100.00 1702 98.04 100.00 8.95e-60 . . . . 16534 1 3 no GB AED92830 . "dicer-like protein 4 [Arabidopsis thaliana]" . . . . . 100.00 1702 98.04 100.00 8.95e-60 . . . . 16534 1 4 no GB AED92831 . "dicer-like protein 4 [Arabidopsis thaliana]" . . . . . 100.00 1688 98.04 100.00 9.02e-60 . . . . 16534 1 5 no REF NP_001190348 . "dicer-like protein 4 [Arabidopsis thaliana]" . . . . . 100.00 1688 98.04 100.00 9.02e-60 . . . . 16534 1 6 no REF NP_197532 . "dicer-like protein 4 [Arabidopsis thaliana]" . . . . . 100.00 1702 98.04 100.00 8.95e-60 . . . . 16534 1 7 no SP P84634 . "RecName: Full=Dicer-like protein 4" . . . . . 100.00 1702 98.04 100.00 8.95e-60 . . . . 16534 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 . ILE . 16534 1 2 . SER . 16534 1 3 . GLY . 16534 1 4 . GLY . 16534 1 5 . SER . 16534 1 6 . SER . 16534 1 7 . ILE . 16534 1 8 . SER . 16534 1 9 . MET . 16534 1 10 . MET . 16534 1 11 . TYR . 16534 1 12 . LYS . 16534 1 13 . TYR . 16534 1 14 . CYS . 16534 1 15 . SER . 16534 1 16 . ARG . 16534 1 17 . LEU . 16534 1 18 . PRO . 16534 1 19 . HIS . 16534 1 20 . ASP . 16534 1 21 . GLU . 16534 1 22 . PHE . 16534 1 23 . PHE . 16534 1 24 . GLN . 16534 1 25 . PRO . 16534 1 26 . LYS . 16534 1 27 . PRO . 16534 1 28 . GLU . 16534 1 29 . PHE . 16534 1 30 . GLN . 16534 1 31 . PHE . 16534 1 32 . LYS . 16534 1 33 . PRO . 16534 1 34 . VAL . 16534 1 35 . ASP . 16534 1 36 . GLU . 16534 1 37 . PHE . 16534 1 38 . GLY . 16534 1 39 . GLY . 16534 1 40 . THR . 16534 1 41 . ILE . 16534 1 42 . CYS . 16534 1 43 . ARG . 16534 1 44 . ILE . 16534 1 45 . THR . 16534 1 46 . LEU . 16534 1 47 . PRO . 16534 1 48 . ALA . 16534 1 49 . ASN . 16534 1 50 . ALA . 16534 1 51 . PRO . 16534 1 52 . ILE . 16534 1 53 . SER . 16534 1 54 . GLU . 16534 1 55 . ILE . 16534 1 56 . GLU . 16534 1 57 . SER . 16534 1 58 . SER . 16534 1 59 . LEU . 16534 1 60 . LEU . 16534 1 61 . PRO . 16534 1 62 . SER . 16534 1 63 . THR . 16534 1 64 . GLU . 16534 1 65 . ALA . 16534 1 66 . ALA . 16534 1 67 . LYS . 16534 1 68 . LYS . 16534 1 69 . ASP . 16534 1 70 . ALA . 16534 1 71 . CYS . 16534 1 72 . LEU . 16534 1 73 . LYS . 16534 1 74 . ALA . 16534 1 75 . VAL . 16534 1 76 . HIS . 16534 1 77 . GLU . 16534 1 78 . LEU . 16534 1 79 . HIS . 16534 1 80 . ASN . 16534 1 81 . LEU . 16534 1 82 . GLY . 16534 1 83 . VAL . 16534 1 84 . LEU . 16534 1 85 . ASN . 16534 1 86 . ASP . 16534 1 87 . PHE . 16534 1 88 . LEU . 16534 1 89 . LEU . 16534 1 90 . PRO . 16534 1 91 . ASP . 16534 1 92 . SER . 16534 1 93 . LYS . 16534 1 94 . ASP . 16534 1 95 . GLU . 16534 1 96 . ILE . 16534 1 97 . GLU . 16534 1 98 . ASP . 16534 1 99 . GLU . 16534 1 100 . LEU . 16534 1 101 . SER . 16534 1 102 . ASP . 16534 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 . ILE 1 1 16534 1 . SER 2 2 16534 1 . GLY 3 3 16534 1 . GLY 4 4 16534 1 . SER 5 5 16534 1 . SER 6 6 16534 1 . ILE 7 7 16534 1 . SER 8 8 16534 1 . MET 9 9 16534 1 . MET 10 10 16534 1 . TYR 11 11 16534 1 . LYS 12 12 16534 1 . TYR 13 13 16534 1 . CYS 14 14 16534 1 . SER 15 15 16534 1 . ARG 16 16 16534 1 . LEU 17 17 16534 1 . PRO 18 18 16534 1 . HIS 19 19 16534 1 . ASP 20 20 16534 1 . GLU 21 21 16534 1 . PHE 22 22 16534 1 . PHE 23 23 16534 1 . GLN 24 24 16534 1 . PRO 25 25 16534 1 . LYS 26 26 16534 1 . PRO 27 27 16534 1 . GLU 28 28 16534 1 . PHE 29 29 16534 1 . GLN 30 30 16534 1 . PHE 31 31 16534 1 . LYS 32 32 16534 1 . PRO 33 33 16534 1 . VAL 34 34 16534 1 . ASP 35 35 16534 1 . GLU 36 36 16534 1 . PHE 37 37 16534 1 . GLY 38 38 16534 1 . GLY 39 39 16534 1 . THR 40 40 16534 1 . ILE 41 41 16534 1 . CYS 42 42 16534 1 . ARG 43 43 16534 1 . ILE 44 44 16534 1 . THR 45 45 16534 1 . LEU 46 46 16534 1 . PRO 47 47 16534 1 . ALA 48 48 16534 1 . ASN 49 49 16534 1 . ALA 50 50 16534 1 . PRO 51 51 16534 1 . ILE 52 52 16534 1 . SER 53 53 16534 1 . GLU 54 54 16534 1 . ILE 55 55 16534 1 . GLU 56 56 16534 1 . SER 57 57 16534 1 . SER 58 58 16534 1 . LEU 59 59 16534 1 . LEU 60 60 16534 1 . PRO 61 61 16534 1 . SER 62 62 16534 1 . THR 63 63 16534 1 . GLU 64 64 16534 1 . ALA 65 65 16534 1 . ALA 66 66 16534 1 . LYS 67 67 16534 1 . LYS 68 68 16534 1 . ASP 69 69 16534 1 . ALA 70 70 16534 1 . CYS 71 71 16534 1 . LEU 72 72 16534 1 . LYS 73 73 16534 1 . ALA 74 74 16534 1 . VAL 75 75 16534 1 . HIS 76 76 16534 1 . GLU 77 77 16534 1 . LEU 78 78 16534 1 . HIS 79 79 16534 1 . ASN 80 80 16534 1 . LEU 81 81 16534 1 . GLY 82 82 16534 1 . VAL 83 83 16534 1 . LEU 84 84 16534 1 . ASN 85 85 16534 1 . ASP 86 86 16534 1 . PHE 87 87 16534 1 . LEU 88 88 16534 1 . LEU 89 89 16534 1 . PRO 90 90 16534 1 . ASP 91 91 16534 1 . SER 92 92 16534 1 . LYS 93 93 16534 1 . ASP 94 94 16534 1 . GLU 95 95 16534 1 . ILE 96 96 16534 1 . GLU 97 97 16534 1 . ASP 98 98 16534 1 . GLU 99 99 16534 1 . LEU 100 100 16534 1 . SER 101 101 16534 1 . ASP 102 102 16534 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 16534 _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 $protein . 3702 organism . 'Arabidopsis thaliana' 'thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 16534 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 16534 _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 $protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . PET32a . . . . . . 16534 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16534 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 protein '[U-100% 13C; U-100% 15N]' . . 1 $protein . . 1 . . mM . . . . 16534 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16534 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16534 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 16534 _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' 0.02 . M 16534 1 pH 6.3 . pH 16534 1 pressure 1 . atm 16534 1 temperature 298 . K 16534 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16534 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16534 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16534 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 16534 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _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 16534 _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 . 800 . . . 16534 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 16534 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16534 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16534 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16534 1 4 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16534 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 16534 _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 1.0 . . . . . . . . . 16534 1 H 1 DSS 'methyl protons' . . . . ppm 0 na direct 1.0 . . . . . . . . . 16534 1 N 15 DSS nitrogen . . . . ppm 0 na direct 1.0 . . . . . . . . . 16534 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 16534 _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 '3D CBCA(CO)NH' . . . 16534 1 2 '3D HNCACB' . . . 16534 1 3 '3D 1H-15N NOESY' . . . 16534 1 4 '3D 1H-13C NOESY' . . . 16534 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CYANA . . 16534 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 GLY HA2 H 1 3.620 . . 2 . . . . 4 G HA1 . 16534 1 2 . 1 1 4 4 GLY HA3 H 1 4.110 . . 2 . . . . 4 G HA2 . 16534 1 3 . 1 1 4 4 GLY CA C 13 46.133 . . 1 . . . . 4 G CA . 16534 1 4 . 1 1 5 5 SER H H 1 8.207 . . 1 . . . . 5 S HN . 16534 1 5 . 1 1 5 5 SER HA H 1 4.748 . . 1 . . . . 5 S HA . 16534 1 6 . 1 1 5 5 SER HB2 H 1 3.915 . . 2 . . . . 5 S HB2 . 16534 1 7 . 1 1 5 5 SER CA C 13 59.321 . . 1 . . . . 5 S CA . 16534 1 8 . 1 1 5 5 SER CB C 13 63.939 . . 1 . . . . 5 S CB . 16534 1 9 . 1 1 5 5 SER N N 15 116.138 . . 1 . . . . 5 S N . 16534 1 10 . 1 1 6 6 SER HA H 1 4.034 . . 1 . . . . 6 S HA . 16534 1 11 . 1 1 6 6 SER HB2 H 1 3.727 . . 2 . . . . 6 S HB1 . 16534 1 12 . 1 1 6 6 SER HB3 H 1 3.786 . . 2 . . . . 6 S HB2 . 16534 1 13 . 1 1 6 6 SER CA C 13 62.599 . . 1 . . . . 6 S CA . 16534 1 14 . 1 1 6 6 SER CB C 13 62.300 . . 1 . . . . 6 S CB . 16534 1 15 . 1 1 7 7 ILE H H 1 7.732 . . 1 . . . . 7 I HN . 16534 1 16 . 1 1 7 7 ILE HA H 1 3.938 . . 1 . . . . 7 I HA . 16534 1 17 . 1 1 7 7 ILE HB H 1 1.925 . . 1 . . . . 7 I HB . 16534 1 18 . 1 1 7 7 ILE HD11 H 1 0.851 . . 1 . . . . 7 I HD11 . 16534 1 19 . 1 1 7 7 ILE HD12 H 1 0.851 . . 1 . . . . 7 I HD11 . 16534 1 20 . 1 1 7 7 ILE HD13 H 1 0.851 . . 1 . . . . 7 I HD11 . 16534 1 21 . 1 1 7 7 ILE HG12 H 1 1.342 . . 1 . . . . 7 I HG11 . 16534 1 22 . 1 1 7 7 ILE HG13 H 1 1.756 . . 1 . . . . 7 I HG12 . 16534 1 23 . 1 1 7 7 ILE HG21 H 1 0.998 . . 2 . . . . 7 I HG21 . 16534 1 24 . 1 1 7 7 ILE HG22 H 1 0.998 . . 2 . . . . 7 I HG21 . 16534 1 25 . 1 1 7 7 ILE HG23 H 1 0.998 . . 2 . . . . 7 I HG21 . 16534 1 26 . 1 1 7 7 ILE CA C 13 65.710 . . 1 . . . . 7 I CA . 16534 1 27 . 1 1 7 7 ILE CB C 13 38.177 . . 1 . . . . 7 I CB . 16534 1 28 . 1 1 7 7 ILE CD1 C 13 14.090 . . 1 . . . . 7 I CD1 . 16534 1 29 . 1 1 7 7 ILE CG1 C 13 28.864 . . 2 . . . . 7 I CG1 . 16534 1 30 . 1 1 7 7 ILE CG2 C 13 17.480 . . 1 . . . . 7 I CG2 . 16534 1 31 . 1 1 7 7 ILE N N 15 121.601 . . 1 . . . . 7 I N . 16534 1 32 . 1 1 8 8 SER H H 1 7.605 . . 1 . . . . 8 S HN . 16534 1 33 . 1 1 8 8 SER HA H 1 4.243 . . 1 . . . . 8 S HA . 16534 1 34 . 1 1 8 8 SER HB2 H 1 3.930 . . 2 . . . . 8 S HB2 . 16534 1 35 . 1 1 8 8 SER CA C 13 61.867 . . 1 . . . . 8 S CA . 16534 1 36 . 1 1 8 8 SER CB C 13 62.890 . . 1 . . . . 8 S CB . 16534 1 37 . 1 1 8 8 SER N N 15 115.350 . . 1 . . . . 8 S N . 16534 1 38 . 1 1 10 10 MET H H 1 8.026 . . 1 . . . . 10 M HN . 16534 1 39 . 1 1 10 10 MET HA H 1 4.004 . . 1 . . . . 10 M HA . 16534 1 40 . 1 1 10 10 MET HB2 H 1 1.613 . . 2 . . . . 10 M HB1 . 16534 1 41 . 1 1 10 10 MET HB3 H 1 1.915 . . 2 . . . . 10 M HB2 . 16534 1 42 . 1 1 10 10 MET CA C 13 58.345 . . 1 . . . . 10 M CA . 16534 1 43 . 1 1 10 10 MET CB C 13 41.973 . . 1 . . . . 10 M CB . 16534 1 44 . 1 1 10 10 MET N N 15 119.438 . . 1 . . . . 10 M N . 16534 1 45 . 1 1 11 11 TYR H H 1 8.270 . . 1 . . . . 11 Y HN . 16534 1 46 . 1 1 11 11 TYR HA H 1 3.961 . . 1 . . . . 11 Y HA . 16534 1 47 . 1 1 11 11 TYR HB2 H 1 3.025 . . 2 . . . . 11 Y HB1 . 16534 1 48 . 1 1 11 11 TYR HB3 H 1 3.121 . . 2 . . . . 11 Y HB2 . 16534 1 49 . 1 1 11 11 TYR CA C 13 63.532 . . 1 . . . . 11 Y CA . 16534 1 50 . 1 1 11 11 TYR CB C 13 38.036 . . 1 . . . . 11 Y CB . 16534 1 51 . 1 1 11 11 TYR N N 15 118.897 . . 1 . . . . 11 Y N . 16534 1 52 . 1 1 12 12 LYS H H 1 8.471 . . 1 . . . . 12 K HN . 16534 1 53 . 1 1 12 12 LYS HA H 1 3.990 . . 1 . . . . 12 K HA . 16534 1 54 . 1 1 12 12 LYS HB2 H 1 1.852 . . 2 . . . . 12 K HB2 . 16534 1 55 . 1 1 12 12 LYS HD2 H 1 1.387 . . 2 . . . . 12 K HD1 . 16534 1 56 . 1 1 12 12 LYS HD3 H 1 1.524 . . 2 . . . . 12 K HD2 . 16534 1 57 . 1 1 12 12 LYS HE2 H 1 2.869 . . 2 . . . . 12 K HE2 . 16534 1 58 . 1 1 12 12 LYS HG2 H 1 1.649 . . 2 . . . . 12 K HG2 . 16534 1 59 . 1 1 12 12 LYS CA C 13 60.284 . . 1 . . . . 12 K CA . 16534 1 60 . 1 1 12 12 LYS CB C 13 32.357 . . 1 . . . . 12 K CB . 16534 1 61 . 1 1 12 12 LYS CD C 13 25.473 . . 1 . . . . 12 K CD . 16534 1 62 . 1 1 12 12 LYS CG C 13 29.348 . . 1 . . . . 12 K CG . 16534 1 63 . 1 1 12 12 LYS N N 15 122.117 . . 1 . . . . 12 K N . 16534 1 64 . 1 1 13 13 TYR H H 1 8.676 . . 1 . . . . 13 Y HN . 16534 1 65 . 1 1 13 13 TYR HA H 1 3.981 . . 1 . . . . 13 Y HA . 16534 1 66 . 1 1 13 13 TYR HB2 H 1 2.867 . . 2 . . . . 13 Y HB1 . 16534 1 67 . 1 1 13 13 TYR HB3 H 1 2.945 . . 2 . . . . 13 Y HB2 . 16534 1 68 . 1 1 13 13 TYR CA C 13 61.781 . . 1 . . . . 13 Y CA . 16534 1 69 . 1 1 13 13 TYR CB C 13 38.140 . . 1 . . . . 13 Y CB . 16534 1 70 . 1 1 13 13 TYR N N 15 120.059 . . 1 . . . . 13 Y N . 16534 1 71 . 1 1 14 14 CYS H H 1 8.022 . . 1 . . . . 14 C HN . 16534 1 72 . 1 1 14 14 CYS HA H 1 3.667 . . 1 . . . . 14 C HA . 16534 1 73 . 1 1 14 14 CYS HB2 H 1 2.226 . . 2 . . . . 14 C HB1 . 16534 1 74 . 1 1 14 14 CYS HB3 H 1 2.966 . . 2 . . . . 14 C HB2 . 16534 1 75 . 1 1 14 14 CYS CA C 13 64.047 . . 1 . . . . 14 C CA . 16534 1 76 . 1 1 14 14 CYS CB C 13 27.111 . . 1 . . . . 14 C CB . 16534 1 77 . 1 1 14 14 CYS N N 15 114.681 . . 1 . . . . 14 C N . 16534 1 78 . 1 1 15 15 SER H H 1 7.856 . . 1 . . . . 15 S HN . 16534 1 79 . 1 1 15 15 SER HA H 1 4.100 . . 1 . . . . 15 S HA . 16534 1 80 . 1 1 15 15 SER HB2 H 1 3.964 . . 2 . . . . 15 S HB1 . 16534 1 81 . 1 1 15 15 SER HB3 H 1 4.028 . . 2 . . . . 15 S HB2 . 16534 1 82 . 1 1 15 15 SER CA C 13 61.355 . . 1 . . . . 15 S CA . 16534 1 83 . 1 1 15 15 SER CB C 13 63.322 . . 1 . . . . 15 S CB . 16534 1 84 . 1 1 15 15 SER N N 15 111.902 . . 1 . . . . 15 S N . 16534 1 85 . 1 1 16 16 ARG H H 1 6.974 . . 1 . . . . 16 R HN . 16534 1 86 . 1 1 16 16 ARG HA H 1 4.372 . . 1 . . . . 16 R HA . 16534 1 87 . 1 1 16 16 ARG HB2 H 1 1.757 . . 2 . . . . 16 R HB1 . 16534 1 88 . 1 1 16 16 ARG HB3 H 1 2.045 . . 2 . . . . 16 R HB2 . 16534 1 89 . 1 1 16 16 ARG CA C 13 55.659 . . 1 . . . . 16 R CA . 16534 1 90 . 1 1 16 16 ARG CB C 13 30.863 . . 1 . . . . 16 R CB . 16534 1 91 . 1 1 16 16 ARG N N 15 118.427 . . 1 . . . . 16 R N . 16534 1 92 . 1 1 17 17 LEU H H 1 7.153 . . 1 . . . . 17 L HN . 16534 1 93 . 1 1 17 17 LEU HA H 1 4.256 . . 1 . . . . 17 L HA . 16534 1 94 . 1 1 17 17 LEU HB2 H 1 1.250 . . 2 . . . . 17 L HB2 . 16534 1 95 . 1 1 17 17 LEU HD11 H 1 0.763 . . 2 . . . . 17 L HD11 . 16534 1 96 . 1 1 17 17 LEU HD12 H 1 0.763 . . 2 . . . . 17 L HD11 . 16534 1 97 . 1 1 17 17 LEU HD13 H 1 0.763 . . 2 . . . . 17 L HD11 . 16534 1 98 . 1 1 17 17 LEU HD21 H 1 0.663 . . 2 . . . . 17 L HD21 . 16534 1 99 . 1 1 17 17 LEU HD22 H 1 0.663 . . 2 . . . . 17 L HD21 . 16534 1 100 . 1 1 17 17 LEU HD23 H 1 0.663 . . 2 . . . . 17 L HD21 . 16534 1 101 . 1 1 17 17 LEU CA C 13 53.983 . . 1 . . . . 17 L CA . 16534 1 102 . 1 1 17 17 LEU CB C 13 40.915 . . 1 . . . . 17 L CB . 16534 1 103 . 1 1 17 17 LEU CD1 C 13 0.763 . . 1 . . . . 17 L CD1 . 16534 1 104 . 1 1 17 17 LEU CD2 C 13 21.840 . . 1 . . . . 17 L CD2 . 16534 1 105 . 1 1 17 17 LEU N N 15 123.200 . . 1 . . . . 17 L N . 16534 1 106 . 1 1 20 20 ASP H H 1 8.478 . . 1 . . . . 20 D HN . 16534 1 107 . 1 1 20 20 ASP HA H 1 4.630 . . 1 . . . . 20 D HA . 16534 1 108 . 1 1 20 20 ASP CA C 13 53.891 . . 1 . . . . 20 D CA . 16534 1 109 . 1 1 20 20 ASP CB C 13 42.130 . . 1 . . . . 20 D CB . 16534 1 110 . 1 1 20 20 ASP N N 15 121.013 . . 1 . . . . 20 D N . 16534 1 111 . 1 1 21 21 GLU H H 1 8.710 . . 1 . . . . 21 E HN . 16534 1 112 . 1 1 21 21 GLU HA H 1 3.988 . . 1 . . . . 21 E HA . 16534 1 113 . 1 1 21 21 GLU HB2 H 1 1.712 . . 2 . . . . 21 E HB2 . 16534 1 114 . 1 1 21 21 GLU HG2 H 1 1.841 . . 2 . . . . 21 E HG2 . 16534 1 115 . 1 1 21 21 GLU CA C 13 58.434 . . 1 . . . . 21 E CA . 16534 1 116 . 1 1 21 21 GLU CB C 13 29.558 . . 1 . . . . 21 E CB . 16534 1 117 . 1 1 21 21 GLU CG C 13 32.254 . . 1 . . . . 21 E CG . 16534 1 118 . 1 1 21 21 GLU N N 15 119.590 . . 1 . . . . 21 E N . 16534 1 119 . 1 1 22 22 PHE H H 1 8.311 . . 1 . . . . 22 F HN . 16534 1 120 . 1 1 22 22 PHE HA H 1 4.509 . . 1 . . . . 22 F HA . 16534 1 121 . 1 1 22 22 PHE HB2 H 1 3.007 . . 2 . . . . 22 F HB1 . 16534 1 122 . 1 1 22 22 PHE HB3 H 1 3.181 . . 2 . . . . 22 F HB2 . 16534 1 123 . 1 1 22 22 PHE CA C 13 58.637 . . 1 . . . . 22 F CA . 16534 1 124 . 1 1 22 22 PHE CB C 13 38.671 . . 1 . . . . 22 F CB . 16534 1 125 . 1 1 22 22 PHE N N 15 117.073 . . 1 . . . . 22 F N . 16534 1 126 . 1 1 23 23 PHE H H 1 7.726 . . 1 . . . . 23 F HN . 16534 1 127 . 1 1 23 23 PHE HA H 1 4.684 . . 1 . . . . 23 F HA . 16534 1 128 . 1 1 23 23 PHE HB2 H 1 2.982 . . 2 . . . . 23 F HB2 . 16534 1 129 . 1 1 23 23 PHE CA C 13 57.031 . . 1 . . . . 23 F CA . 16534 1 130 . 1 1 23 23 PHE CB C 13 41.166 . . 1 . . . . 23 F CB . 16534 1 131 . 1 1 23 23 PHE N N 15 120.326 . . 1 . . . . 23 F N . 16534 1 132 . 1 1 24 24 GLN H H 1 8.002 . . 1 . . . . 24 Q HN . 16534 1 133 . 1 1 24 24 GLN HA H 1 4.216 . . 1 . . . . 24 Q HA . 16534 1 134 . 1 1 24 24 GLN HB2 H 1 1.735 . . 2 . . . . 24 Q HB2 . 16534 1 135 . 1 1 24 24 GLN HG2 H 1 2.107 . . 2 . . . . 24 Q HG2 . 16534 1 136 . 1 1 24 24 GLN CA C 13 52.335 . . 1 . . . . 24 Q CA . 16534 1 137 . 1 1 24 24 GLN CB C 13 29.374 . . 1 . . . . 24 Q CB . 16534 1 138 . 1 1 24 24 GLN CG C 13 33.465 . . 1 . . . . 24 Q CG . 16534 1 139 . 1 1 24 24 GLN N N 15 123.665 . . 1 . . . . 24 Q N . 16534 1 140 . 1 1 27 27 PRO HA H 1 4.309 . . 1 . . . . 27 P HA . 16534 1 141 . 1 1 27 27 PRO HB2 H 1 1.075 . . 2 . . . . 27 P HB1 . 16534 1 142 . 1 1 27 27 PRO HB3 H 1 1.447 . . 2 . . . . 27 P HB2 . 16534 1 143 . 1 1 27 27 PRO HD2 H 1 2.694 . . 2 . . . . 27 P HD1 . 16534 1 144 . 1 1 27 27 PRO HD3 H 1 3.179 . . 2 . . . . 27 P HD2 . 16534 1 145 . 1 1 27 27 PRO CA C 13 62.144 . . 1 . . . . 27 P CA . 16534 1 146 . 1 1 27 27 PRO CB C 13 31.551 . . 1 . . . . 27 P CB . 16534 1 147 . 1 1 27 27 PRO CD C 13 37.340 . . 1 . . . . 27 P CD . 16534 1 148 . 1 1 28 28 GLU H H 1 7.844 . . 1 . . . . 28 E HN . 16534 1 149 . 1 1 28 28 GLU HA H 1 4.312 . . 1 . . . . 28 E HA . 16534 1 150 . 1 1 28 28 GLU HB2 H 1 1.642 . . 2 . . . . 28 E HB1 . 16534 1 151 . 1 1 28 28 GLU HB3 H 1 1.901 . . 2 . . . . 28 E HB2 . 16534 1 152 . 1 1 28 28 GLU CA C 13 54.753 . . 1 . . . . 28 E CA . 16534 1 153 . 1 1 28 28 GLU CB C 13 32.194 . . 1 . . . . 28 E CB . 16534 1 154 . 1 1 28 28 GLU N N 15 119.389 . . 1 . . . . 28 E N . 16534 1 155 . 1 1 29 29 PHE H H 1 8.672 . . 1 . . . . 29 F HN . 16534 1 156 . 1 1 29 29 PHE HA H 1 4.764 . . 1 . . . . 29 F HA . 16534 1 157 . 1 1 29 29 PHE HB2 H 1 2.267 . . 2 . . . . 29 F HB1 . 16534 1 158 . 1 1 29 29 PHE HB3 H 1 2.848 . . 2 . . . . 29 F HB2 . 16534 1 159 . 1 1 29 29 PHE CA C 13 57.259 . . 1 . . . . 29 F CA . 16534 1 160 . 1 1 29 29 PHE CB C 13 42.013 . . 1 . . . . 29 F CB . 16534 1 161 . 1 1 29 29 PHE N N 15 120.299 . . 1 . . . . 29 F N . 16534 1 162 . 1 1 30 30 GLN H H 1 8.650 . . 1 . . . . 30 Q HN . 16534 1 163 . 1 1 30 30 GLN HA H 1 4.600 . . 1 . . . . 30 Q HA . 16534 1 164 . 1 1 30 30 GLN HB2 H 1 1.833 . . 2 . . . . 30 Q HB1 . 16534 1 165 . 1 1 30 30 GLN HB3 H 1 1.990 . . 2 . . . . 30 Q HB2 . 16534 1 166 . 1 1 30 30 GLN HG2 H 1 2.195 . . 2 . . . . 30 Q HG1 . 16534 1 167 . 1 1 30 30 GLN HG3 H 1 2.262 . . 2 . . . . 30 Q HG2 . 16534 1 168 . 1 1 30 30 GLN CA C 13 54.589 . . 1 . . . . 30 Q CA . 16534 1 169 . 1 1 30 30 GLN CB C 13 32.652 . . 1 . . . . 30 Q CB . 16534 1 170 . 1 1 30 30 GLN CG C 13 33.950 . . 1 . . . . 30 Q CG . 16534 1 171 . 1 1 30 30 GLN N N 15 122.046 . . 1 . . . . 30 Q N . 16534 1 172 . 1 1 31 31 PHE H H 1 8.990 . . 1 . . . . 31 F HN . 16534 1 173 . 1 1 31 31 PHE HA H 1 5.236 . . 1 . . . . 31 F HA . 16534 1 174 . 1 1 31 31 PHE HB2 H 1 2.770 . . 2 . . . . 31 F HB1 . 16534 1 175 . 1 1 31 31 PHE HB3 H 1 2.884 . . 2 . . . . 31 F HB2 . 16534 1 176 . 1 1 31 31 PHE CA C 13 57.177 . . 1 . . . . 31 F CA . 16534 1 177 . 1 1 31 31 PHE CB C 13 41.358 . . 1 . . . . 31 F CB . 16534 1 178 . 1 1 31 31 PHE N N 15 121.951 . . 1 . . . . 31 F N . 16534 1 179 . 1 1 32 32 LYS H H 1 8.914 . . 1 . . . . 32 K HN . 16534 1 180 . 1 1 32 32 LYS HA H 1 4.822 . . 1 . . . . 32 K HA . 16534 1 181 . 1 1 32 32 LYS HB2 H 1 1.697 . . 2 . . . . 32 K HB1 . 16534 1 182 . 1 1 32 32 LYS HB3 H 1 1.770 . . 2 . . . . 32 K HB2 . 16534 1 183 . 1 1 32 32 LYS HD2 H 1 1.330 . . 2 . . . . 32 K HD2 . 16534 1 184 . 1 1 32 32 LYS HE2 H 1 2.786 . . 2 . . . . 32 K HE2 . 16534 1 185 . 1 1 32 32 LYS HG2 H 1 1.440 . . 2 . . . . 32 K HG2 . 16534 1 186 . 1 1 32 32 LYS CA C 13 53.411 . . 1 . . . . 32 K CA . 16534 1 187 . 1 1 32 32 LYS CB C 13 34.266 . . 1 . . . . 32 K CB . 16534 1 188 . 1 1 32 32 LYS CE C 13 41.700 . . 1 . . . . 32 K CE . 16534 1 189 . 1 1 32 32 LYS N N 15 124.818 . . 1 . . . . 32 K N . 16534 1 190 . 1 1 33 33 PRO HA H 1 4.743 . . 1 . . . . 33 P HA . 16534 1 191 . 1 1 33 33 PRO HB2 H 1 1.990 . . 2 . . . . 33 P HB1 . 16534 1 192 . 1 1 33 33 PRO HB3 H 1 2.249 . . 2 . . . . 33 P HB2 . 16534 1 193 . 1 1 33 33 PRO HG2 H 1 1.928 . . 2 . . . . 33 P HG2 . 16534 1 194 . 1 1 33 33 PRO CA C 13 62.590 . . 1 . . . . 33 P CA . 16534 1 195 . 1 1 33 33 PRO CB C 13 32.560 . . 1 . . . . 33 P CB . 16534 1 196 . 1 1 34 34 VAL H H 1 8.358 . . 1 . . . . 34 V HN . 16534 1 197 . 1 1 34 34 VAL HA H 1 4.154 . . 1 . . . . 34 V HA . 16534 1 198 . 1 1 34 34 VAL HB H 1 1.868 . . 1 . . . . 34 V HB . 16534 1 199 . 1 1 34 34 VAL HG11 H 1 0.791 . . 2 . . . . 34 V HG11 . 16534 1 200 . 1 1 34 34 VAL HG12 H 1 0.791 . . 2 . . . . 34 V HG11 . 16534 1 201 . 1 1 34 34 VAL HG13 H 1 0.791 . . 2 . . . . 34 V HG11 . 16534 1 202 . 1 1 34 34 VAL HG21 H 1 0.897 . . 2 . . . . 34 V HG21 . 16534 1 203 . 1 1 34 34 VAL HG22 H 1 0.897 . . 2 . . . . 34 V HG21 . 16534 1 204 . 1 1 34 34 VAL HG23 H 1 0.897 . . 2 . . . . 34 V HG21 . 16534 1 205 . 1 1 34 34 VAL CA C 13 62.619 . . 1 . . . . 34 V CA . 16534 1 206 . 1 1 34 34 VAL CB C 13 32.909 . . 1 . . . . 34 V CB . 16534 1 207 . 1 1 34 34 VAL CG1 C 13 20.387 . . 1 . . . . 34 V CG1 . 16534 1 208 . 1 1 34 34 VAL CG2 C 13 21.598 . . 1 . . . . 34 V CG2 . 16534 1 209 . 1 1 34 34 VAL N N 15 121.710 . . 1 . . . . 34 V N . 16534 1 210 . 1 1 35 35 ASP H H 1 7.774 . . 1 . . . . 35 D HN . 16534 1 211 . 1 1 35 35 ASP HA H 1 4.608 . . 1 . . . . 35 D HA . 16534 1 212 . 1 1 35 35 ASP HB2 H 1 2.680 . . 2 . . . . 35 D HB1 . 16534 1 213 . 1 1 35 35 ASP HB3 H 1 2.926 . . 2 . . . . 35 D HB2 . 16534 1 214 . 1 1 35 35 ASP CA C 13 54.017 . . 1 . . . . 35 D CA . 16534 1 215 . 1 1 35 35 ASP CB C 13 42.372 . . 1 . . . . 35 D CB . 16534 1 216 . 1 1 35 35 ASP N N 15 119.983 . . 1 . . . . 35 D N . 16534 1 217 . 1 1 36 36 GLU H H 1 8.933 . . 1 . . . . 36 E HN . 16534 1 218 . 1 1 36 36 GLU HA H 1 4.059 . . 1 . . . . 36 E HA . 16534 1 219 . 1 1 36 36 GLU HB2 H 1 1.556 . . 2 . . . . 36 E HB1 . 16534 1 220 . 1 1 36 36 GLU HB3 H 1 1.654 . . 2 . . . . 36 E HB2 . 16534 1 221 . 1 1 36 36 GLU HG2 H 1 2.675 . . 2 . . . . 36 E HG1 . 16534 1 222 . 1 1 36 36 GLU HG3 H 1 2.916 . . 2 . . . . 36 E HG2 . 16534 1 223 . 1 1 36 36 GLU CA C 13 57.746 . . 1 . . . . 36 E CA . 16534 1 224 . 1 1 36 36 GLU CB C 13 28.892 . . 1 . . . . 36 E CB . 16534 1 225 . 1 1 36 36 GLU CG C 13 41.700 . . 1 . . . . 36 E CG . 16534 1 226 . 1 1 36 36 GLU N N 15 117.479 . . 1 . . . . 36 E N . 16534 1 227 . 1 1 37 37 PHE H H 1 8.378 . . 1 . . . . 37 F HN . 16534 1 228 . 1 1 37 37 PHE HA H 1 4.738 . . 1 . . . . 37 F HA . 16534 1 229 . 1 1 37 37 PHE HB2 H 1 2.767 . . 2 . . . . 37 F HB1 . 16534 1 230 . 1 1 37 37 PHE HB3 H 1 3.414 . . 2 . . . . 37 F HB2 . 16534 1 231 . 1 1 37 37 PHE CA C 13 57.117 . . 1 . . . . 37 F CA . 16534 1 232 . 1 1 37 37 PHE CB C 13 39.729 . . 1 . . . . 37 F CB . 16534 1 233 . 1 1 37 37 PHE N N 15 118.955 . . 1 . . . . 37 F N . 16534 1 234 . 1 1 38 38 GLY H H 1 7.779 . . 1 . . . . 38 G HN . 16534 1 235 . 1 1 38 38 GLY HA2 H 1 3.623 . . 2 . . . . 38 G HA1 . 16534 1 236 . 1 1 38 38 GLY HA3 H 1 4.239 . . 2 . . . . 38 G HA2 . 16534 1 237 . 1 1 38 38 GLY CA C 13 45.648 . . 1 . . . . 38 G CA . 16534 1 238 . 1 1 38 38 GLY N N 15 108.930 . . 1 . . . . 38 G N . 16534 1 239 . 1 1 39 39 GLY H H 1 8.859 . . 1 . . . . 39 G HN . 16534 1 240 . 1 1 39 39 GLY HA2 H 1 3.611 . . 2 . . . . 39 G HA1 . 16534 1 241 . 1 1 39 39 GLY HA3 H 1 4.098 . . 2 . . . . 39 G HA2 . 16534 1 242 . 1 1 39 39 GLY CA C 13 46.127 . . 1 . . . . 39 G CA . 16534 1 243 . 1 1 39 39 GLY N N 15 110.378 . . 1 . . . . 39 G N . 16534 1 244 . 1 1 40 40 THR H H 1 9.290 . . 1 . . . . 40 T HN . 16534 1 245 . 1 1 40 40 THR HA H 1 4.907 . . 1 . . . . 40 T HA . 16534 1 246 . 1 1 40 40 THR HB H 1 3.677 . . 1 . . . . 40 T HB . 16534 1 247 . 1 1 40 40 THR HG21 H 1 0.937 . . 1 . . . . 40 T HG21 . 16534 1 248 . 1 1 40 40 THR HG22 H 1 0.937 . . 1 . . . . 40 T HG21 . 16534 1 249 . 1 1 40 40 THR HG23 H 1 0.937 . . 1 . . . . 40 T HG21 . 16534 1 250 . 1 1 40 40 THR CA C 13 61.868 . . 1 . . . . 40 T CA . 16534 1 251 . 1 1 40 40 THR CB C 13 71.688 . . 1 . . . . 40 T CB . 16534 1 252 . 1 1 40 40 THR CG2 C 13 23.777 . . 1 . . . . 40 T CG2 . 16534 1 253 . 1 1 40 40 THR N N 15 121.423 . . 1 . . . . 40 T N . 16534 1 254 . 1 1 41 41 ILE H H 1 7.914 . . 1 . . . . 41 I HN . 16534 1 255 . 1 1 41 41 ILE HA H 1 4.203 . . 1 . . . . 41 I HA . 16534 1 256 . 1 1 41 41 ILE HB H 1 1.435 . . 1 . . . . 41 I HB . 16534 1 257 . 1 1 41 41 ILE HD11 H 1 0.783 . . 1 . . . . 41 I HD11 . 16534 1 258 . 1 1 41 41 ILE HD12 H 1 0.783 . . 1 . . . . 41 I HD11 . 16534 1 259 . 1 1 41 41 ILE HD13 H 1 0.783 . . 1 . . . . 41 I HD11 . 16534 1 260 . 1 1 41 41 ILE HG12 H 1 0.930 . . 1 . . . . 41 I HG12 . 16534 1 261 . 1 1 41 41 ILE CA C 13 60.059 . . 1 . . . . 41 I CA . 16534 1 262 . 1 1 41 41 ILE CB C 13 42.620 . . 1 . . . . 41 I CB . 16534 1 263 . 1 1 41 41 ILE CD1 C 13 16.996 . . 1 . . . . 41 I CD1 . 16534 1 264 . 1 1 41 41 ILE CG1 C 13 16.996 . . 2 . . . . 41 I CG1 . 16534 1 265 . 1 1 41 41 ILE N N 15 122.778 . . 1 . . . . 41 I N . 16534 1 266 . 1 1 42 42 CYS H H 1 9.112 . . 1 . . . . 42 C HN . 16534 1 267 . 1 1 42 42 CYS HA H 1 4.924 . . 1 . . . . 42 C HA . 16534 1 268 . 1 1 42 42 CYS HB2 H 1 2.540 . . 2 . . . . 42 C HB1 . 16534 1 269 . 1 1 42 42 CYS HB3 H 1 2.655 . . 2 . . . . 42 C HB2 . 16534 1 270 . 1 1 42 42 CYS CA C 13 56.384 . . 1 . . . . 42 C CA . 16534 1 271 . 1 1 42 42 CYS CB C 13 29.795 . . 1 . . . . 42 C CB . 16534 1 272 . 1 1 42 42 CYS N N 15 127.039 . . 1 . . . . 42 C N . 16534 1 273 . 1 1 43 43 ARG H H 1 9.062 . . 1 . . . . 43 R HN . 16534 1 274 . 1 1 43 43 ARG HA H 1 5.118 . . 1 . . . . 43 R HA . 16534 1 275 . 1 1 43 43 ARG HB2 H 1 1.540 . . 2 . . . . 43 R HB1 . 16534 1 276 . 1 1 43 43 ARG HB3 H 1 1.620 . . 2 . . . . 43 R HB2 . 16534 1 277 . 1 1 43 43 ARG HD2 H 1 3.002 . . 2 . . . . 43 R HD2 . 16534 1 278 . 1 1 43 43 ARG HG2 H 1 1.345 . . 2 . . . . 43 R HG1 . 16534 1 279 . 1 1 43 43 ARG HG3 H 1 1.380 . . 2 . . . . 43 R HG2 . 16534 1 280 . 1 1 43 43 ARG CA C 13 54.510 . . 1 . . . . 43 R CA . 16534 1 281 . 1 1 43 43 ARG CB C 13 33.657 . . 1 . . . . 43 R CB . 16534 1 282 . 1 1 43 43 ARG CD C 13 43.395 . . 1 . . . . 43 R CD . 16534 1 283 . 1 1 43 43 ARG CG C 13 27.653 . . 1 . . . . 43 R CG . 16534 1 284 . 1 1 43 43 ARG N N 15 109.577 . . 1 . . . . 43 R N . 16534 1 285 . 1 1 44 44 ILE H H 1 9.361 . . 1 . . . . 44 I HN . 16534 1 286 . 1 1 44 44 ILE HA H 1 4.673 . . 1 . . . . 44 I HA . 16534 1 287 . 1 1 44 44 ILE HB H 1 1.404 . . 1 . . . . 44 I HB . 16534 1 288 . 1 1 44 44 ILE HD11 H 1 0.309 . . 1 . . . . 44 I HD11 . 16534 1 289 . 1 1 44 44 ILE HD12 H 1 0.309 . . 1 . . . . 44 I HD11 . 16534 1 290 . 1 1 44 44 ILE HD13 H 1 0.309 . . 1 . . . . 44 I HD11 . 16534 1 291 . 1 1 44 44 ILE HG12 H 1 0.594 . . 1 . . . . 44 I HG12 . 16534 1 292 . 1 1 44 44 ILE HG21 H 1 0.634 . . 2 . . . . 44 I HG21 . 16534 1 293 . 1 1 44 44 ILE HG22 H 1 0.634 . . 2 . . . . 44 I HG21 . 16534 1 294 . 1 1 44 44 ILE HG23 H 1 0.634 . . 2 . . . . 44 I HG21 . 16534 1 295 . 1 1 44 44 ILE CA C 13 59.477 . . 1 . . . . 44 I CA . 16534 1 296 . 1 1 44 44 ILE CB C 13 40.610 . . 1 . . . . 44 I CB . 16534 1 297 . 1 1 44 44 ILE CG1 C 13 27.168 . . 2 . . . . 44 I CG1 . 16534 1 298 . 1 1 44 44 ILE CG2 C 13 15.785 . . 1 . . . . 44 I CG2 . 16534 1 299 . 1 1 44 44 ILE N N 15 127.835 . . 1 . . . . 44 I N . 16534 1 300 . 1 1 45 45 THR H H 1 8.558 . . 1 . . . . 45 T HN . 16534 1 301 . 1 1 45 45 THR HA H 1 4.861 . . 1 . . . . 45 T HA . 16534 1 302 . 1 1 45 45 THR HB H 1 4.666 . . 1 . . . . 45 T HB . 16534 1 303 . 1 1 45 45 THR HG1 H 1 0.329 . . 1 . . . . 45 T HG1 . 16534 1 304 . 1 1 45 45 THR HG21 H 1 0.309 . . 1 . . . . 45 T HG21 . 16534 1 305 . 1 1 45 45 THR HG22 H 1 0.309 . . 1 . . . . 45 T HG21 . 16534 1 306 . 1 1 45 45 THR HG23 H 1 0.309 . . 1 . . . . 45 T HG21 . 16534 1 307 . 1 1 45 45 THR CA C 13 61.253 . . 1 . . . . 45 T CA . 16534 1 308 . 1 1 45 45 THR CB C 13 70.106 . . 1 . . . . 45 T CB . 16534 1 309 . 1 1 45 45 THR N N 15 121.115 . . 1 . . . . 45 T N . 16534 1 310 . 1 1 46 46 LEU H H 1 8.594 . . 1 . . . . 46 L HN . 16534 1 311 . 1 1 46 46 LEU HA H 1 4.491 . . 1 . . . . 46 L HA . 16534 1 312 . 1 1 46 46 LEU HB2 H 1 1.331 . . 2 . . . . 46 L HB1 . 16534 1 313 . 1 1 46 46 LEU HB3 H 1 1.902 . . 2 . . . . 46 L HB2 . 16534 1 314 . 1 1 46 46 LEU HD11 H 1 0.681 . . 2 . . . . 46 L HD11 . 16534 1 315 . 1 1 46 46 LEU HD12 H 1 0.681 . . 2 . . . . 46 L HD11 . 16534 1 316 . 1 1 46 46 LEU HD13 H 1 0.681 . . 2 . . . . 46 L HD11 . 16534 1 317 . 1 1 46 46 LEU HD21 H 1 24.504 . . 2 . . . . 46 L HD21 . 16534 1 318 . 1 1 46 46 LEU HD22 H 1 24.504 . . 2 . . . . 46 L HD21 . 16534 1 319 . 1 1 46 46 LEU HD23 H 1 24.504 . . 2 . . . . 46 L HD21 . 16534 1 320 . 1 1 46 46 LEU CA C 13 53.146 . . 1 . . . . 46 L CA . 16534 1 321 . 1 1 46 46 LEU CB C 13 39.940 . . 1 . . . . 46 L CB . 16534 1 322 . 1 1 46 46 LEU CD1 C 13 24.988 . . 1 . . . . 46 L CD1 . 16534 1 323 . 1 1 46 46 LEU CD2 C 13 0.622 . . 1 . . . . 46 L CD2 . 16534 1 324 . 1 1 46 46 LEU N N 15 127.977 . . 1 . . . . 46 L N . 16534 1 325 . 1 1 48 48 ALA H H 1 8.359 . . 1 . . . . 48 A HN . 16534 1 326 . 1 1 48 48 ALA HA H 1 4.059 . . 1 . . . . 48 A HA . 16534 1 327 . 1 1 48 48 ALA HB1 H 1 1.401 . . 1 . . . . 48 A HB1 . 16534 1 328 . 1 1 48 48 ALA HB2 H 1 1.401 . . 1 . . . . 48 A HB1 . 16534 1 329 . 1 1 48 48 ALA HB3 H 1 1.401 . . 1 . . . . 48 A HB1 . 16534 1 330 . 1 1 48 48 ALA CA C 13 54.472 . . 1 . . . . 48 A CA . 16534 1 331 . 1 1 48 48 ALA CB C 13 18.791 . . 1 . . . . 48 A CB . 16534 1 332 . 1 1 48 48 ALA N N 15 121.680 . . 1 . . . . 48 A N . 16534 1 333 . 1 1 49 49 ASN H H 1 8.140 . . 1 . . . . 49 N HN . 16534 1 334 . 1 1 49 49 ASN HA H 1 4.500 . . 1 . . . . 49 N HA . 16534 1 335 . 1 1 49 49 ASN HB2 H 1 3.091 . . 2 . . . . 49 N HB1 . 16534 1 336 . 1 1 49 49 ASN HB3 H 1 2.787 . . 2 . . . . 49 N HB2 . 16534 1 337 . 1 1 49 49 ASN CA C 13 53.521 . . 1 . . . . 49 N CA . 16534 1 338 . 1 1 49 49 ASN CB C 13 36.939 . . 1 . . . . 49 N CB . 16534 1 339 . 1 1 49 49 ASN N N 15 109.801 . . 1 . . . . 49 N N . 16534 1 340 . 1 1 50 50 ALA H H 1 7.937 . . 1 . . . . 50 A HN . 16534 1 341 . 1 1 50 50 ALA HA H 1 4.638 . . 1 . . . . 50 A HA . 16534 1 342 . 1 1 50 50 ALA HB1 H 1 1.584 . . 1 . . . . 50 A HB1 . 16534 1 343 . 1 1 50 50 ALA HB2 H 1 1.584 . . 1 . . . . 50 A HB1 . 16534 1 344 . 1 1 50 50 ALA HB3 H 1 1.584 . . 1 . . . . 50 A HB1 . 16534 1 345 . 1 1 50 50 ALA CA C 13 50.718 . . 1 . . . . 50 A CA . 16534 1 346 . 1 1 50 50 ALA CB C 13 19.231 . . 1 . . . . 50 A CB . 16534 1 347 . 1 1 50 50 ALA N N 15 123.150 . . 1 . . . . 50 A N . 16534 1 348 . 1 1 51 51 PRO HA H 1 4.419 . . 1 . . . . 51 P HA . 16534 1 349 . 1 1 51 51 PRO HB2 H 1 1.944 . . 2 . . . . 51 P HB1 . 16534 1 350 . 1 1 51 51 PRO HB3 H 1 2.264 . . 2 . . . . 51 P HB2 . 16534 1 351 . 1 1 51 51 PRO HD2 H 1 3.580 . . 2 . . . . 51 P HD1 . 16534 1 352 . 1 1 51 51 PRO HD3 H 1 3.733 . . 2 . . . . 51 P HD2 . 16534 1 353 . 1 1 51 51 PRO HG2 H 1 1.665 . . 2 . . . . 51 P HG1 . 16534 1 354 . 1 1 51 51 PRO HG3 H 1 2.076 . . 2 . . . . 51 P HG2 . 16534 1 355 . 1 1 51 51 PRO CA C 13 64.407 . . 1 . . . . 51 P CA . 16534 1 356 . 1 1 51 51 PRO CB C 13 31.831 . . 1 . . . . 51 P CB . 16534 1 357 . 1 1 51 51 PRO CD C 13 50.661 . . 1 . . . . 51 P CD . 16534 1 358 . 1 1 52 52 ILE H H 1 6.601 . . 1 . . . . 52 I HN . 16534 1 359 . 1 1 52 52 ILE HA H 1 4.307 . . 1 . . . . 52 I HA . 16534 1 360 . 1 1 52 52 ILE HB H 1 1.576 . . 1 . . . . 52 I HB . 16534 1 361 . 1 1 52 52 ILE HD11 H 1 0.756 . . 1 . . . . 52 I HD11 . 16534 1 362 . 1 1 52 52 ILE HD12 H 1 0.756 . . 1 . . . . 52 I HD11 . 16534 1 363 . 1 1 52 52 ILE HD13 H 1 0.756 . . 1 . . . . 52 I HD11 . 16534 1 364 . 1 1 52 52 ILE HG12 H 1 1.243 . . 1 . . . . 52 I HG12 . 16534 1 365 . 1 1 52 52 ILE HG21 H 1 0.682 . . 2 . . . . 52 I HG21 . 16534 1 366 . 1 1 52 52 ILE HG22 H 1 0.682 . . 2 . . . . 52 I HG21 . 16534 1 367 . 1 1 52 52 ILE HG23 H 1 0.682 . . 2 . . . . 52 I HG21 . 16534 1 368 . 1 1 52 52 ILE CA C 13 59.462 . . 1 . . . . 52 I CA . 16534 1 369 . 1 1 52 52 ILE CB C 13 41.622 . . 1 . . . . 52 I CB . 16534 1 370 . 1 1 52 52 ILE CD1 C 13 17.722 . . 1 . . . . 52 I CD1 . 16534 1 371 . 1 1 52 52 ILE CG1 C 13 27.895 . . 2 . . . . 52 I CG1 . 16534 1 372 . 1 1 52 52 ILE CG2 C 13 14.090 . . 1 . . . . 52 I CG2 . 16534 1 373 . 1 1 52 52 ILE N N 15 113.471 . . 1 . . . . 52 I N . 16534 1 374 . 1 1 53 53 SER H H 1 8.306 . . 1 . . . . 53 S HN . 16534 1 375 . 1 1 53 53 SER HA H 1 4.301 . . 1 . . . . 53 S HA . 16534 1 376 . 1 1 53 53 SER HB2 H 1 3.770 . . 2 . . . . 53 S HB2 . 16534 1 377 . 1 1 53 53 SER HG H 1 1.573 . . 1 . . . . 53 S HG . 16534 1 378 . 1 1 53 53 SER CA C 13 59.315 . . 1 . . . . 53 S CA . 16534 1 379 . 1 1 53 53 SER CB C 13 64.646 . . 1 . . . . 53 S CB . 16534 1 380 . 1 1 53 53 SER N N 15 115.152 . . 1 . . . . 53 S N . 16534 1 381 . 1 1 54 54 GLU H H 1 7.490 . . 1 . . . . 54 E HN . 16534 1 382 . 1 1 54 54 GLU HA H 1 5.385 . . 1 . . . . 54 E HA . 16534 1 383 . 1 1 54 54 GLU HB2 H 1 1.774 . . 2 . . . . 54 E HB1 . 16534 1 384 . 1 1 54 54 GLU HB3 H 1 1.852 . . 2 . . . . 54 E HB2 . 16534 1 385 . 1 1 54 54 GLU HG2 H 1 2.045 . . 2 . . . . 54 E HG1 . 16534 1 386 . 1 1 54 54 GLU HG3 H 1 2.077 . . 2 . . . . 54 E HG2 . 16534 1 387 . 1 1 54 54 GLU CA C 13 54.963 . . 1 . . . . 54 E CA . 16534 1 388 . 1 1 54 54 GLU CB C 13 33.082 . . 1 . . . . 54 E CB . 16534 1 389 . 1 1 54 54 GLU CG C 13 35.887 . . 1 . . . . 54 E CG . 16534 1 390 . 1 1 54 54 GLU N N 15 117.625 . . 1 . . . . 54 E N . 16534 1 391 . 1 1 55 55 ILE H H 1 8.392 . . 1 . . . . 55 I HN . 16534 1 392 . 1 1 55 55 ILE HA H 1 4.331 . . 1 . . . . 55 I HA . 16534 1 393 . 1 1 55 55 ILE HB H 1 1.573 . . 1 . . . . 55 I HB . 16534 1 394 . 1 1 55 55 ILE HD11 H 1 0.789 . . 1 . . . . 55 I HD11 . 16534 1 395 . 1 1 55 55 ILE HD12 H 1 0.789 . . 1 . . . . 55 I HD11 . 16534 1 396 . 1 1 55 55 ILE HD13 H 1 0.789 . . 1 . . . . 55 I HD11 . 16534 1 397 . 1 1 55 55 ILE HG12 H 1 1.122 . . 1 . . . . 55 I HG11 . 16534 1 398 . 1 1 55 55 ILE HG13 H 1 1.525 . . 1 . . . . 55 I HG12 . 16534 1 399 . 1 1 55 55 ILE HG21 H 1 0.858 . . 2 . . . . 55 I HG21 . 16534 1 400 . 1 1 55 55 ILE HG22 H 1 0.858 . . 2 . . . . 55 I HG21 . 16534 1 401 . 1 1 55 55 ILE HG23 H 1 0.858 . . 2 . . . . 55 I HG21 . 16534 1 402 . 1 1 55 55 ILE CA C 13 59.927 . . 1 . . . . 55 I CA . 16534 1 403 . 1 1 55 55 ILE CB C 13 42.013 . . 1 . . . . 55 I CB . 16534 1 404 . 1 1 55 55 ILE CD1 C 13 25.231 . . 1 . . . . 55 I CD1 . 16534 1 405 . 1 1 55 55 ILE CG2 C 13 24.988 . . 1 . . . . 55 I CG2 . 16534 1 406 . 1 1 55 55 ILE N N 15 122.174 . . 1 . . . . 55 I N . 16534 1 407 . 1 1 56 56 GLU H H 1 8.490 . . 1 . . . . 56 E HN . 16534 1 408 . 1 1 56 56 GLU HA H 1 5.426 . . 1 . . . . 56 E HA . 16534 1 409 . 1 1 56 56 GLU HB2 H 1 1.794 . . 2 . . . . 56 E HB1 . 16534 1 410 . 1 1 56 56 GLU HB3 H 1 1.969 . . 2 . . . . 56 E HB2 . 16534 1 411 . 1 1 56 56 GLU HG2 H 1 2.165 . . 2 . . . . 56 E HG2 . 16534 1 412 . 1 1 56 56 GLU CA C 13 54.601 . . 1 . . . . 56 E CA . 16534 1 413 . 1 1 56 56 GLU CB C 13 33.369 . . 1 . . . . 56 E CB . 16534 1 414 . 1 1 56 56 GLU CG C 13 37.341 . . 1 . . . . 56 E CG . 16534 1 415 . 1 1 56 56 GLU N N 15 125.031 . . 1 . . . . 56 E N . 16534 1 416 . 1 1 57 57 SER H H 1 8.914 . . 1 . . . . 57 S HN . 16534 1 417 . 1 1 57 57 SER HA H 1 4.315 . . 1 . . . . 57 S HA . 16534 1 418 . 1 1 57 57 SER HB2 H 1 2.611 . . 2 . . . . 57 S HB1 . 16534 1 419 . 1 1 57 57 SER HB3 H 1 2.750 . . 2 . . . . 57 S HB2 . 16534 1 420 . 1 1 57 57 SER CA C 13 58.468 . . 1 . . . . 57 S CA . 16534 1 421 . 1 1 57 57 SER CB C 13 67.931 . . 1 . . . . 57 S CB . 16534 1 422 . 1 1 57 57 SER N N 15 116.661 . . 1 . . . . 57 S N . 16534 1 423 . 1 1 58 58 SER H H 1 8.161 . . 1 . . . . 58 S HN . 16534 1 424 . 1 1 58 58 SER HA H 1 4.323 . . 1 . . . . 58 S HA . 16534 1 425 . 1 1 58 58 SER HB2 H 1 2.859 . . 2 . . . . 58 S HB1 . 16534 1 426 . 1 1 58 58 SER HB3 H 1 3.043 . . 2 . . . . 58 S HB2 . 16534 1 427 . 1 1 58 58 SER CA C 13 59.077 . . 1 . . . . 58 S CA . 16534 1 428 . 1 1 58 58 SER CB C 13 64.162 . . 1 . . . . 58 S CB . 16534 1 429 . 1 1 58 58 SER N N 15 112.493 . . 1 . . . . 58 S N . 16534 1 430 . 1 1 59 59 LEU H H 1 8.306 . . 1 . . . . 59 L HN . 16534 1 431 . 1 1 59 59 LEU HA H 1 4.307 . . 1 . . . . 59 L HA . 16534 1 432 . 1 1 59 59 LEU HB2 H 1 1.335 . . 2 . . . . 59 L HB1 . 16534 1 433 . 1 1 59 59 LEU HB3 H 1 1.732 . . 2 . . . . 59 L HB2 . 16534 1 434 . 1 1 59 59 LEU HD11 H 1 0.765 . . 2 . . . . 59 L HD11 . 16534 1 435 . 1 1 59 59 LEU HD12 H 1 0.765 . . 2 . . . . 59 L HD11 . 16534 1 436 . 1 1 59 59 LEU HD13 H 1 0.765 . . 2 . . . . 59 L HD11 . 16534 1 437 . 1 1 59 59 LEU HG H 1 1.275 . . 1 . . . . 59 L HG . 16534 1 438 . 1 1 59 59 LEU CA C 13 56.542 . . 1 . . . . 59 L CA . 16534 1 439 . 1 1 59 59 LEU CB C 13 41.643 . . 1 . . . . 59 L CB . 16534 1 440 . 1 1 59 59 LEU CD1 C 13 25.231 . . 1 . . . . 59 L CD1 . 16534 1 441 . 1 1 59 59 LEU CG C 13 27.895 . . 1 . . . . 59 L CG . 16534 1 442 . 1 1 59 59 LEU N N 15 124.648 . . 1 . . . . 59 L N . 16534 1 443 . 1 1 60 60 LEU H H 1 8.657 . . 1 . . . . 60 L HN . 16534 1 444 . 1 1 60 60 LEU HA H 1 5.062 . . 1 . . . . 60 L HA . 16534 1 445 . 1 1 60 60 LEU HB2 H 1 1.436 . . 2 . . . . 60 L HB1 . 16534 1 446 . 1 1 60 60 LEU HB3 H 1 1.566 . . 2 . . . . 60 L HB2 . 16534 1 447 . 1 1 60 60 LEU HD11 H 1 0.941 . . 2 . . . . 60 L HD11 . 16534 1 448 . 1 1 60 60 LEU HD12 H 1 0.941 . . 2 . . . . 60 L HD11 . 16534 1 449 . 1 1 60 60 LEU HD13 H 1 0.941 . . 2 . . . . 60 L HD11 . 16534 1 450 . 1 1 60 60 LEU HD21 H 1 0.866 . . 2 . . . . 60 L HD21 . 16534 1 451 . 1 1 60 60 LEU HD22 H 1 0.866 . . 2 . . . . 60 L HD21 . 16534 1 452 . 1 1 60 60 LEU HD23 H 1 0.866 . . 2 . . . . 60 L HD21 . 16534 1 453 . 1 1 60 60 LEU HG H 1 1.427 . . 1 . . . . 60 L HG . 16534 1 454 . 1 1 60 60 LEU CA C 13 52.296 . . 1 . . . . 60 L CA . 16534 1 455 . 1 1 60 60 LEU CB C 13 45.879 . . 1 . . . . 60 L CB . 16534 1 456 . 1 1 60 60 LEU CD1 C 13 23.051 . . 1 . . . . 60 L CD1 . 16534 1 457 . 1 1 60 60 LEU CD2 C 13 26.684 . . 1 . . . . 60 L CD2 . 16534 1 458 . 1 1 60 60 LEU CG C 13 27.894 . . 1 . . . . 60 L CG . 16534 1 459 . 1 1 60 60 LEU N N 15 112.182 . . 1 . . . . 60 L N . 16534 1 460 . 1 1 61 61 PRO HA H 1 4.547 . . 1 . . . . 61 P HA . 16534 1 461 . 1 1 61 61 PRO HB2 H 1 1.881 . . 2 . . . . 61 P HB1 . 16534 1 462 . 1 1 61 61 PRO HB3 H 1 2.216 . . 2 . . . . 61 P HB2 . 16534 1 463 . 1 1 61 61 PRO HD2 H 1 3.565 . . 2 . . . . 61 P HD1 . 16534 1 464 . 1 1 61 61 PRO HD3 H 1 3.749 . . 2 . . . . 61 P HD2 . 16534 1 465 . 1 1 61 61 PRO HG2 H 1 1.967 . . 2 . . . . 61 P HG2 . 16534 1 466 . 1 1 61 61 PRO CA C 13 64.897 . . 1 . . . . 61 P CA . 16534 1 467 . 1 1 61 61 PRO CB C 13 32.085 . . 1 . . . . 61 P CB . 16534 1 468 . 1 1 61 61 PRO CD C 13 50.661 . . 1 . . . . 61 P CD . 16534 1 469 . 1 1 61 61 PRO CG C 13 27.410 . . 1 . . . . 61 P CG . 16534 1 470 . 1 1 62 62 SER H H 1 7.033 . . 1 . . . . 62 S HN . 16534 1 471 . 1 1 62 62 SER HA H 1 4.823 . . 1 . . . . 62 S HA . 16534 1 472 . 1 1 62 62 SER HB2 H 1 3.847 . . 2 . . . . 62 S HB1 . 16534 1 473 . 1 1 62 62 SER HB3 H 1 4.191 . . 2 . . . . 62 S HB2 . 16534 1 474 . 1 1 62 62 SER CA C 13 56.394 . . 1 . . . . 62 S CA . 16534 1 475 . 1 1 62 62 SER CB C 13 66.573 . . 1 . . . . 62 S CB . 16534 1 476 . 1 1 62 62 SER N N 15 109.246 . . 1 . . . . 62 S N . 16534 1 477 . 1 1 63 63 THR H H 1 8.796 . . 1 . . . . 63 T HN . 16534 1 478 . 1 1 63 63 THR HA H 1 3.633 . . 1 . . . . 63 T HA . 16534 1 479 . 1 1 63 63 THR HB H 1 3.320 . . 1 . . . . 63 T HB . 16534 1 480 . 1 1 63 63 THR HG21 H 1 0.583 . . 1 . . . . 63 T HG21 . 16534 1 481 . 1 1 63 63 THR HG22 H 1 0.583 . . 1 . . . . 63 T HG21 . 16534 1 482 . 1 1 63 63 THR HG23 H 1 0.583 . . 1 . . . . 63 T HG21 . 16534 1 483 . 1 1 63 63 THR CA C 13 65.773 . . 1 . . . . 63 T CA . 16534 1 484 . 1 1 63 63 THR CB C 13 67.798 . . 1 . . . . 63 T CB . 16534 1 485 . 1 1 63 63 THR N N 15 115.874 . . 1 . . . . 63 T N . 16534 1 486 . 1 1 64 64 GLU H H 1 8.302 . . 1 . . . . 64 E HN . 16534 1 487 . 1 1 64 64 GLU HA H 1 3.898 . . 1 . . . . 64 E HA . 16534 1 488 . 1 1 64 64 GLU HB2 H 1 1.853 . . 2 . . . . 64 E HB1 . 16534 1 489 . 1 1 64 64 GLU HB3 H 1 1.949 . . 2 . . . . 64 E HB2 . 16534 1 490 . 1 1 64 64 GLU HG2 H 1 2.205 . . 2 . . . . 64 E HG2 . 16534 1 491 . 1 1 64 64 GLU CA C 13 59.925 . . 1 . . . . 64 E CA . 16534 1 492 . 1 1 64 64 GLU CB C 13 29.160 . . 1 . . . . 64 E CB . 16534 1 493 . 1 1 64 64 GLU CG C 13 35.887 . . 1 . . . . 64 E CG . 16534 1 494 . 1 1 64 64 GLU N N 15 121.403 . . 1 . . . . 64 E N . 16534 1 495 . 1 1 65 65 ALA H H 1 7.969 . . 1 . . . . 65 A HN . 16534 1 496 . 1 1 65 65 ALA HA H 1 4.058 . . 1 . . . . 65 A HA . 16534 1 497 . 1 1 65 65 ALA HB1 H 1 1.403 . . 1 . . . . 65 A HB1 . 16534 1 498 . 1 1 65 65 ALA HB2 H 1 1.403 . . 1 . . . . 65 A HB1 . 16534 1 499 . 1 1 65 65 ALA HB3 H 1 1.403 . . 1 . . . . 65 A HB1 . 16534 1 500 . 1 1 65 65 ALA CA C 13 54.966 . . 1 . . . . 65 A CA . 16534 1 501 . 1 1 65 65 ALA CB C 13 18.762 . . 1 . . . . 65 A CB . 16534 1 502 . 1 1 65 65 ALA N N 15 121.221 . . 1 . . . . 65 A N . 16534 1 503 . 1 1 66 66 ALA H H 1 8.164 . . 1 . . . . 66 A HN . 16534 1 504 . 1 1 66 66 ALA HA H 1 4.063 . . 1 . . . . 66 A HA . 16534 1 505 . 1 1 66 66 ALA HB1 H 1 1.403 . . 1 . . . . 66 A HB1 . 16534 1 506 . 1 1 66 66 ALA HB2 H 1 1.403 . . 1 . . . . 66 A HB1 . 16534 1 507 . 1 1 66 66 ALA HB3 H 1 1.403 . . 1 . . . . 66 A HB1 . 16534 1 508 . 1 1 66 66 ALA CA C 13 54.846 . . 1 . . . . 66 A CA . 16534 1 509 . 1 1 66 66 ALA CB C 13 18.875 . . 1 . . . . 66 A CB . 16534 1 510 . 1 1 66 66 ALA N N 15 121.842 . . 1 . . . . 66 A N . 16534 1 511 . 1 1 67 67 LYS H H 1 8.786 . . 1 . . . . 67 K HN . 16534 1 512 . 1 1 67 67 LYS HA H 1 4.406 . . 1 . . . . 67 K HA . 16534 1 513 . 1 1 67 67 LYS HB2 H 1 2.140 . . 2 . . . . 67 K HB1 . 16534 1 514 . 1 1 67 67 LYS HB3 H 1 1.993 . . 2 . . . . 67 K HB2 . 16534 1 515 . 1 1 67 67 LYS HD2 H 1 0.857 . . 2 . . . . 67 K HD2 . 16534 1 516 . 1 1 67 67 LYS HG2 H 1 1.633 . . 2 . . . . 67 K HG2 . 16534 1 517 . 1 1 67 67 LYS CA C 13 60.429 . . 1 . . . . 67 K CA . 16534 1 518 . 1 1 67 67 LYS CB C 13 33.432 . . 1 . . . . 67 K CB . 16534 1 519 . 1 1 67 67 LYS N N 15 120.207 . . 1 . . . . 67 K N . 16534 1 520 . 1 1 68 68 LYS H H 1 7.902 . . 1 . . . . 68 K HN . 16534 1 521 . 1 1 68 68 LYS CA C 13 60.652 . . 1 . . . . 68 K CA . 16534 1 522 . 1 1 68 68 LYS CB C 13 32.684 . . 1 . . . . 68 K CB . 16534 1 523 . 1 1 68 68 LYS N N 15 118.874 . . 1 . . . . 68 K N . 16534 1 524 . 1 1 69 69 ASP H H 1 7.929 . . 1 . . . . 69 D HN . 16534 1 525 . 1 1 69 69 ASP HA H 1 4.353 . . 1 . . . . 69 D HA . 16534 1 526 . 1 1 69 69 ASP HB2 H 1 2.611 . . 2 . . . . 69 D HB1 . 16534 1 527 . 1 1 69 69 ASP HB3 H 1 2.752 . . 2 . . . . 69 D HB2 . 16534 1 528 . 1 1 69 69 ASP CA C 13 58.352 . . 1 . . . . 69 D CA . 16534 1 529 . 1 1 69 69 ASP CB C 13 44.549 . . 1 . . . . 69 D CB . 16534 1 530 . 1 1 69 69 ASP N N 15 118.386 . . 1 . . . . 69 D N . 16534 1 531 . 1 1 70 70 ALA H H 1 8.455 . . 1 . . . . 70 A HN . 16534 1 532 . 1 1 70 70 ALA HA H 1 3.769 . . 1 . . . . 70 A HA . 16534 1 533 . 1 1 70 70 ALA HB1 H 1 1.479 . . 1 . . . . 70 A HB1 . 16534 1 534 . 1 1 70 70 ALA HB2 H 1 1.479 . . 1 . . . . 70 A HB1 . 16534 1 535 . 1 1 70 70 ALA HB3 H 1 1.479 . . 1 . . . . 70 A HB1 . 16534 1 536 . 1 1 70 70 ALA CA C 13 55.690 . . 1 . . . . 70 A CA . 16534 1 537 . 1 1 70 70 ALA CB C 13 18.394 . . 1 . . . . 70 A CB . 16534 1 538 . 1 1 70 70 ALA N N 15 118.580 . . 1 . . . . 70 A N . 16534 1 539 . 1 1 71 71 CYS H H 1 8.253 . . 1 . . . . 71 C HN . 16534 1 540 . 1 1 71 71 CYS HA H 1 3.883 . . 1 . . . . 71 C HA . 16534 1 541 . 1 1 71 71 CYS HB2 H 1 2.419 . . 2 . . . . 71 C HB1 . 16534 1 542 . 1 1 71 71 CYS HB3 H 1 3.142 . . 2 . . . . 71 C HB2 . 16534 1 543 . 1 1 71 71 CYS CA C 13 64.773 . . 1 . . . . 71 C CA . 16534 1 544 . 1 1 71 71 CYS CB C 13 26.864 . . 1 . . . . 71 C CB . 16534 1 545 . 1 1 71 71 CYS N N 15 115.224 . . 1 . . . . 71 C N . 16534 1 546 . 1 1 72 72 LEU H H 1 8.284 . . 1 . . . . 72 L HN . 16534 1 547 . 1 1 72 72 LEU HA H 1 3.954 . . 1 . . . . 72 L HA . 16534 1 548 . 1 1 72 72 LEU HB2 H 1 1.777 . . 2 . . . . 72 L HB2 . 16534 1 549 . 1 1 72 72 LEU HD11 H 1 0.832 . . 2 . . . . 72 L HD11 . 16534 1 550 . 1 1 72 72 LEU HD12 H 1 0.832 . . 2 . . . . 72 L HD11 . 16534 1 551 . 1 1 72 72 LEU HD13 H 1 0.832 . . 2 . . . . 72 L HD11 . 16534 1 552 . 1 1 72 72 LEU HD21 H 1 0.802 . . 2 . . . . 72 L HD21 . 16534 1 553 . 1 1 72 72 LEU HD22 H 1 0.802 . . 2 . . . . 72 L HD21 . 16534 1 554 . 1 1 72 72 LEU HD23 H 1 0.802 . . 2 . . . . 72 L HD21 . 16534 1 555 . 1 1 72 72 LEU HG H 1 1.585 . . 1 . . . . 72 L HG . 16534 1 556 . 1 1 72 72 LEU CA C 13 58.489 . . 1 . . . . 72 L CA . 16534 1 557 . 1 1 72 72 LEU CB C 13 41.878 . . 1 . . . . 72 L CB . 16534 1 558 . 1 1 72 72 LEU N N 15 121.838 . . 1 . . . . 72 L N . 16534 1 559 . 1 1 73 73 LYS H H 1 8.092 . . 1 . . . . 73 K HN . 16534 1 560 . 1 1 73 73 LYS HA H 1 3.938 . . 1 . . . . 73 K HA . 16534 1 561 . 1 1 73 73 LYS HB2 H 1 1.697 . . 2 . . . . 73 K HB1 . 16534 1 562 . 1 1 73 73 LYS HB3 H 1 1.790 . . 2 . . . . 73 K HB2 . 16534 1 563 . 1 1 73 73 LYS HD2 H 1 1.305 . . 2 . . . . 73 K HD2 . 16534 1 564 . 1 1 73 73 LYS HE2 H 1 2.917 . . 2 . . . . 73 K HE2 . 16534 1 565 . 1 1 73 73 LYS HG2 H 1 1.598 . . 2 . . . . 73 K HG2 . 16534 1 566 . 1 1 73 73 LYS CA C 13 60.240 . . 1 . . . . 73 K CA . 16534 1 567 . 1 1 73 73 LYS CB C 13 33.040 . . 1 . . . . 73 K CB . 16534 1 568 . 1 1 73 73 LYS CD C 13 24.504 . . 1 . . . . 73 K CD . 16534 1 569 . 1 1 73 73 LYS CG C 13 28.621 . . 1 . . . . 73 K CG . 16534 1 570 . 1 1 73 73 LYS N N 15 119.660 . . 1 . . . . 73 K N . 16534 1 571 . 1 1 74 74 ALA H H 1 8.471 . . 1 . . . . 74 A HN . 16534 1 572 . 1 1 74 74 ALA HA H 1 3.793 . . 1 . . . . 74 A HA . 16534 1 573 . 1 1 74 74 ALA HB1 H 1 1.332 . . 1 . . . . 74 A HB1 . 16534 1 574 . 1 1 74 74 ALA HB2 H 1 1.332 . . 1 . . . . 74 A HB1 . 16534 1 575 . 1 1 74 74 ALA HB3 H 1 1.332 . . 1 . . . . 74 A HB1 . 16534 1 576 . 1 1 74 74 ALA CA C 13 55.812 . . 1 . . . . 74 A CA . 16534 1 577 . 1 1 74 74 ALA CB C 13 18.876 . . 1 . . . . 74 A CB . 16534 1 578 . 1 1 74 74 ALA N N 15 121.040 . . 1 . . . . 74 A N . 16534 1 579 . 1 1 75 75 VAL H H 1 8.333 . . 1 . . . . 75 V HN . 16534 1 580 . 1 1 75 75 VAL HA H 1 3.424 . . 1 . . . . 75 V HA . 16534 1 581 . 1 1 75 75 VAL HB H 1 2.093 . . 1 . . . . 75 V HB . 16534 1 582 . 1 1 75 75 VAL HG11 H 1 0.791 . . 2 . . . . 75 V HG11 . 16534 1 583 . 1 1 75 75 VAL HG12 H 1 0.791 . . 2 . . . . 75 V HG11 . 16534 1 584 . 1 1 75 75 VAL HG13 H 1 0.791 . . 2 . . . . 75 V HG11 . 16534 1 585 . 1 1 75 75 VAL HG21 H 1 1.030 . . 2 . . . . 75 V HG21 . 16534 1 586 . 1 1 75 75 VAL HG22 H 1 1.030 . . 2 . . . . 75 V HG21 . 16534 1 587 . 1 1 75 75 VAL HG23 H 1 1.030 . . 2 . . . . 75 V HG21 . 16534 1 588 . 1 1 75 75 VAL CA C 13 67.194 . . 1 . . . . 75 V CA . 16534 1 589 . 1 1 75 75 VAL CB C 13 31.353 . . 1 . . . . 75 V CB . 16534 1 590 . 1 1 75 75 VAL CG1 C 13 21.840 . . 1 . . . . 75 V CG1 . 16534 1 591 . 1 1 75 75 VAL CG2 C 13 23.535 . . 1 . . . . 75 V CG2 . 16534 1 592 . 1 1 75 75 VAL N N 15 115.282 . . 1 . . . . 75 V N . 16534 1 593 . 1 1 76 76 HIS HA H 1 4.270 . . 1 . . . . 76 H HA . 16534 1 594 . 1 1 76 76 HIS HB2 H 1 1.599 . . 2 . . . . 76 H HB1 . 16534 1 595 . 1 1 76 76 HIS HB3 H 1 1.959 . . 2 . . . . 76 H HB2 . 16534 1 596 . 1 1 76 76 HIS CA C 13 55.400 . . 1 . . . . 76 H CA . 16534 1 597 . 1 1 76 76 HIS CB C 13 29.100 . . 1 . . . . 76 H CB . 16534 1 598 . 1 1 77 77 GLU H H 1 8.221 . . 1 . . . . 77 E HN . 16534 1 599 . 1 1 77 77 GLU HA H 1 4.089 . . 1 . . . . 77 E HA . 16534 1 600 . 1 1 77 77 GLU HB2 H 1 1.951 . . 2 . . . . 77 E HB2 . 16534 1 601 . 1 1 77 77 GLU HG2 H 1 2.268 . . 2 . . . . 77 E HG1 . 16534 1 602 . 1 1 77 77 GLU HG3 H 1 2.394 . . 2 . . . . 77 E HG2 . 16534 1 603 . 1 1 77 77 GLU CA C 13 59.448 . . 1 . . . . 77 E CA . 16534 1 604 . 1 1 77 77 GLU CB C 13 29.170 . . 1 . . . . 77 E CB . 16534 1 605 . 1 1 77 77 GLU CG C 13 35.645 . . 1 . . . . 77 E CG . 16534 1 606 . 1 1 77 77 GLU N N 15 119.087 . . 1 . . . . 77 E N . 16534 1 607 . 1 1 78 78 LEU H H 1 8.310 . . 1 . . . . 78 L HN . 16534 1 608 . 1 1 78 78 LEU HA H 1 3.761 . . 1 . . . . 78 L HA . 16534 1 609 . 1 1 78 78 LEU HB2 H 1 0.689 . . 2 . . . . 78 L HB1 . 16534 1 610 . 1 1 78 78 LEU HB3 H 1 1.636 . . 2 . . . . 78 L HB2 . 16534 1 611 . 1 1 78 78 LEU HD11 H 1 0.368 . . 2 . . . . 78 L HD11 . 16534 1 612 . 1 1 78 78 LEU HD12 H 1 0.368 . . 2 . . . . 78 L HD11 . 16534 1 613 . 1 1 78 78 LEU HD13 H 1 0.368 . . 2 . . . . 78 L HD11 . 16534 1 614 . 1 1 78 78 LEU HG H 1 1.644 . . 1 . . . . 78 L HG . 16534 1 615 . 1 1 78 78 LEU CA C 13 57.882 . . 1 . . . . 78 L CA . 16534 1 616 . 1 1 78 78 LEU CB C 13 41.278 . . 1 . . . . 78 L CB . 16534 1 617 . 1 1 78 78 LEU CD1 C 13 22.082 . . 1 . . . . 78 L CD1 . 16534 1 618 . 1 1 78 78 LEU CG C 13 26.442 . . 1 . . . . 78 L CG . 16534 1 619 . 1 1 78 78 LEU N N 15 119.214 . . 1 . . . . 78 L N . 16534 1 620 . 1 1 79 79 HIS H H 1 8.755 . . 1 . . . . 79 H HN . 16534 1 621 . 1 1 79 79 HIS HA H 1 4.340 . . 1 . . . . 79 H HA . 16534 1 622 . 1 1 79 79 HIS HB2 H 1 3.099 . . 2 . . . . 79 H HB1 . 16534 1 623 . 1 1 79 79 HIS HB3 H 1 3.292 . . 2 . . . . 79 H HB2 . 16534 1 624 . 1 1 79 79 HIS CA C 13 59.003 . . 1 . . . . 79 H CA . 16534 1 625 . 1 1 79 79 HIS CB C 13 29.909 . . 1 . . . . 79 H CB . 16534 1 626 . 1 1 79 79 HIS N N 15 119.393 . . 1 . . . . 79 H N . 16534 1 627 . 1 1 80 80 ASN H H 1 8.245 . . 1 . . . . 80 N HN . 16534 1 628 . 1 1 80 80 ASN HA H 1 4.251 . . 1 . . . . 80 N HA . 16534 1 629 . 1 1 80 80 ASN HB2 H 1 2.809 . . 2 . . . . 80 N HB1 . 16534 1 630 . 1 1 80 80 ASN HB3 H 1 2.869 . . 2 . . . . 80 N HB2 . 16534 1 631 . 1 1 80 80 ASN HD21 H 1 7.535 . . 2 . . . . 80 N HD21 . 16534 1 632 . 1 1 80 80 ASN HD22 H 1 6.602 . . 2 . . . . 80 N HD22 . 16534 1 633 . 1 1 80 80 ASN CA C 13 55.843 . . 1 . . . . 80 N CA . 16534 1 634 . 1 1 80 80 ASN CB C 13 37.909 . . 1 . . . . 80 N CB . 16534 1 635 . 1 1 80 80 ASN N N 15 120.708 . . 1 . . . . 80 N N . 16534 1 636 . 1 1 81 81 LEU H H 1 7.602 . . 1 . . . . 81 L HN . 16534 1 637 . 1 1 81 81 LEU HA H 1 4.243 . . 1 . . . . 81 L HA . 16534 1 638 . 1 1 81 81 LEU HB2 H 1 1.611 . . 2 . . . . 81 L HB1 . 16534 1 639 . 1 1 81 81 LEU HB3 H 1 1.841 . . 2 . . . . 81 L HB2 . 16534 1 640 . 1 1 81 81 LEU HD11 H 1 0.753 . . 2 . . . . 81 L HD11 . 16534 1 641 . 1 1 81 81 LEU HD12 H 1 0.753 . . 2 . . . . 81 L HD11 . 16534 1 642 . 1 1 81 81 LEU HD13 H 1 0.753 . . 2 . . . . 81 L HD11 . 16534 1 643 . 1 1 81 81 LEU HD21 H 1 0.849 . . 2 . . . . 81 L HD21 . 16534 1 644 . 1 1 81 81 LEU HD22 H 1 0.849 . . 2 . . . . 81 L HD21 . 16534 1 645 . 1 1 81 81 LEU HD23 H 1 0.849 . . 2 . . . . 81 L HD21 . 16534 1 646 . 1 1 81 81 LEU HG H 1 1.828 . . 1 . . . . 81 L HG . 16534 1 647 . 1 1 81 81 LEU CA C 13 55.713 . . 1 . . . . 81 L CA . 16534 1 648 . 1 1 81 81 LEU CB C 13 43.337 . . 1 . . . . 81 L CB . 16534 1 649 . 1 1 81 81 LEU CD1 C 13 25.957 . . 1 . . . . 81 L CD1 . 16534 1 650 . 1 1 81 81 LEU CD2 C 13 22.324 . . 1 . . . . 81 L CD2 . 16534 1 651 . 1 1 81 81 LEU CG C 13 26.684 . . 1 . . . . 81 L CG . 16534 1 652 . 1 1 81 81 LEU N N 15 118.088 . . 1 . . . . 81 L N . 16534 1 653 . 1 1 82 82 GLY H H 1 7.746 . . 1 . . . . 82 G HN . 16534 1 654 . 1 1 82 82 GLY HA2 H 1 3.817 . . 2 . . . . 82 G HA1 . 16534 1 655 . 1 1 82 82 GLY HA3 H 1 4.106 . . 2 . . . . 82 G HA2 . 16534 1 656 . 1 1 82 82 GLY CA C 13 46.131 . . 1 . . . . 82 G CA . 16534 1 657 . 1 1 82 82 GLY N N 15 127.503 . . 1 . . . . 82 G N . 16534 1 658 . 1 1 83 83 VAL H H 1 6.986 . . 1 . . . . 83 V HN . 16534 1 659 . 1 1 83 83 VAL HA H 1 4.523 . . 1 . . . . 83 V HA . 16534 1 660 . 1 1 83 83 VAL HB H 1 2.682 . . 1 . . . . 83 V HB . 16534 1 661 . 1 1 83 83 VAL HG11 H 1 0.694 . . 2 . . . . 83 V HG11 . 16534 1 662 . 1 1 83 83 VAL HG12 H 1 0.694 . . 2 . . . . 83 V HG11 . 16534 1 663 . 1 1 83 83 VAL HG13 H 1 0.694 . . 2 . . . . 83 V HG11 . 16534 1 664 . 1 1 83 83 VAL HG21 H 1 0.842 . . 2 . . . . 83 V HG21 . 16534 1 665 . 1 1 83 83 VAL HG22 H 1 0.842 . . 2 . . . . 83 V HG21 . 16534 1 666 . 1 1 83 83 VAL HG23 H 1 0.842 . . 2 . . . . 83 V HG21 . 16534 1 667 . 1 1 83 83 VAL CA C 13 61.621 . . 1 . . . . 83 V CA . 16534 1 668 . 1 1 83 83 VAL CB C 13 31.584 . . 1 . . . . 83 V CB . 16534 1 669 . 1 1 83 83 VAL CG1 C 13 19.660 . . 1 . . . . 83 V CG1 . 16534 1 670 . 1 1 83 83 VAL CG2 C 13 21.597 . . 1 . . . . 83 V CG2 . 16534 1 671 . 1 1 83 83 VAL N N 15 108.299 . . 1 . . . . 83 V N . 16534 1 672 . 1 1 84 84 LEU H H 1 7.956 . . 1 . . . . 84 L HN . 16534 1 673 . 1 1 84 84 LEU CA C 13 53.965 . . 1 . . . . 84 L CA . 16534 1 674 . 1 1 84 84 LEU CB C 13 43.099 . . 1 . . . . 84 L CB . 16534 1 675 . 1 1 84 84 LEU N N 15 121.123 . . 1 . . . . 84 L N . 16534 1 676 . 1 1 85 85 ASN HA H 1 4.456 . . 1 . . . . 85 N HA . 16534 1 677 . 1 1 85 85 ASN HB2 H 1 2.756 . . 2 . . . . 85 N HB2 . 16534 1 678 . 1 1 85 85 ASN HD21 H 1 7.571 . . 2 . . . . 85 N HD21 . 16534 1 679 . 1 1 85 85 ASN HD22 H 1 6.903 . . 2 . . . . 85 N HD22 . 16534 1 680 . 1 1 85 85 ASN CA C 13 55.344 . . 1 . . . . 85 N CA . 16534 1 681 . 1 1 85 85 ASN CB C 13 38.494 . . 1 . . . . 85 N CB . 16534 1 682 . 1 1 85 85 ASN ND2 N 15 112.807 . . 1 . . . . 85 N ND2 . 16534 1 683 . 1 1 86 86 ASP H H 1 8.495 . . 1 . . . . 86 D HN . 16534 1 684 . 1 1 86 86 ASP HA H 1 4.371 . . 1 . . . . 86 D HA . 16534 1 685 . 1 1 86 86 ASP HB2 H 1 2.198 . . 2 . . . . 86 D HB1 . 16534 1 686 . 1 1 86 86 ASP HB3 H 1 2.417 . . 2 . . . . 86 D HB2 . 16534 1 687 . 1 1 86 86 ASP CA C 13 55.317 . . 1 . . . . 86 D CA . 16534 1 688 . 1 1 86 86 ASP CB C 13 40.431 . . 1 . . . . 86 D CB . 16534 1 689 . 1 1 86 86 ASP N N 15 117.445 . . 1 . . . . 86 D N . 16534 1 690 . 1 1 87 87 PHE H H 1 7.776 . . 1 . . . . 87 F HN . 16534 1 691 . 1 1 87 87 PHE HA H 1 4.573 . . 1 . . . . 87 F HA . 16534 1 692 . 1 1 87 87 PHE HB2 H 1 2.855 . . 2 . . . . 87 F HB1 . 16534 1 693 . 1 1 87 87 PHE HB3 H 1 3.112 . . 2 . . . . 87 F HB2 . 16534 1 694 . 1 1 87 87 PHE CA C 13 57.757 . . 1 . . . . 87 F CA . 16534 1 695 . 1 1 87 87 PHE CB C 13 40.282 . . 1 . . . . 87 F CB . 16534 1 696 . 1 1 87 87 PHE N N 15 117.213 . . 1 . . . . 87 F N . 16534 1 697 . 1 1 88 88 LEU H H 1 7.677 . . 1 . . . . 88 L HN . 16534 1 698 . 1 1 88 88 LEU HA H 1 4.347 . . 1 . . . . 88 L HA . 16534 1 699 . 1 1 88 88 LEU HB2 H 1 1.521 . . 2 . . . . 88 L HB1 . 16534 1 700 . 1 1 88 88 LEU HB3 H 1 1.569 . . 2 . . . . 88 L HB2 . 16534 1 701 . 1 1 88 88 LEU HD11 H 1 0.784 . . 2 . . . . 88 L HD11 . 16534 1 702 . 1 1 88 88 LEU HD12 H 1 0.784 . . 2 . . . . 88 L HD11 . 16534 1 703 . 1 1 88 88 LEU HD13 H 1 0.784 . . 2 . . . . 88 L HD11 . 16534 1 704 . 1 1 88 88 LEU HD21 H 1 0.753 . . 2 . . . . 88 L HD21 . 16534 1 705 . 1 1 88 88 LEU HD22 H 1 0.753 . . 2 . . . . 88 L HD21 . 16534 1 706 . 1 1 88 88 LEU HD23 H 1 0.753 . . 2 . . . . 88 L HD21 . 16534 1 707 . 1 1 88 88 LEU HG H 1 1.548 . . 1 . . . . 88 L HG . 16534 1 708 . 1 1 88 88 LEU CA C 13 54.726 . . 1 . . . . 88 L CA . 16534 1 709 . 1 1 88 88 LEU CB C 13 42.485 . . 1 . . . . 88 L CB . 16534 1 710 . 1 1 88 88 LEU CD1 C 13 23.293 . . 1 . . . . 88 L CD1 . 16534 1 711 . 1 1 88 88 LEU CD2 C 13 23.293 . . 1 . . . . 88 L CD2 . 16534 1 712 . 1 1 88 88 LEU N N 15 120.864 . . 1 . . . . 88 L N . 16534 1 713 . 1 1 89 89 LEU H H 1 8.047 . . 1 . . . . 89 L HN . 16534 1 714 . 1 1 89 89 LEU HA H 1 4.515 . . 1 . . . . 89 L HA . 16534 1 715 . 1 1 89 89 LEU HB2 H 1 1.535 . . 2 . . . . 89 L HB1 . 16534 1 716 . 1 1 89 89 LEU HB3 H 1 1.569 . . 2 . . . . 89 L HB2 . 16534 1 717 . 1 1 89 89 LEU HD11 H 1 0.798 . . 2 . . . . 89 L HD11 . 16534 1 718 . 1 1 89 89 LEU HD12 H 1 0.798 . . 2 . . . . 89 L HD11 . 16534 1 719 . 1 1 89 89 LEU HD13 H 1 0.798 . . 2 . . . . 89 L HD11 . 16534 1 720 . 1 1 89 89 LEU HD21 H 1 0.750 . . 2 . . . . 89 L HD21 . 16534 1 721 . 1 1 89 89 LEU HD22 H 1 0.750 . . 2 . . . . 89 L HD21 . 16534 1 722 . 1 1 89 89 LEU HD23 H 1 0.750 . . 2 . . . . 89 L HD21 . 16534 1 723 . 1 1 89 89 LEU HG H 1 1.481 . . 1 . . . . 89 L HG . 16534 1 724 . 1 1 89 89 LEU CA C 13 53.158 . . 1 . . . . 89 L CA . 16534 1 725 . 1 1 89 89 LEU CB C 13 41.643 . . 1 . . . . 89 L CB . 16534 1 726 . 1 1 89 89 LEU N N 15 123.495 . . 1 . . . . 89 L N . 16534 1 727 . 1 1 90 90 PRO HA H 1 4.340 . . 1 . . . . 90 P HA . 16534 1 728 . 1 1 90 90 PRO HB2 H 1 1.859 . . 2 . . . . 90 P HB1 . 16534 1 729 . 1 1 90 90 PRO HB3 H 1 2.218 . . 2 . . . . 90 P HB2 . 16534 1 730 . 1 1 90 90 PRO HD2 H 1 3.580 . . 2 . . . . 90 P HD1 . 16534 1 731 . 1 1 90 90 PRO HD3 H 1 3.731 . . 2 . . . . 90 P HD2 . 16534 1 732 . 1 1 90 90 PRO HG2 H 1 1.955 . . 2 . . . . 90 P HG2 . 16534 1 733 . 1 1 90 90 PRO CA C 13 63.562 . . 1 . . . . 90 P CA . 16534 1 734 . 1 1 90 90 PRO CB C 13 32.078 . . 1 . . . . 90 P CB . 16534 1 735 . 1 1 90 90 PRO CD C 13 50.662 . . 1 . . . . 90 P CD . 16534 1 736 . 1 1 90 90 PRO CG C 13 27.168 . . 1 . . . . 90 P CG . 16534 1 737 . 1 1 91 91 ASP H H 1 8.341 . . 1 . . . . 91 D HN . 16534 1 738 . 1 1 91 91 ASP HA H 1 4.515 . . 1 . . . . 91 D HA . 16534 1 739 . 1 1 91 91 ASP HB2 H 1 2.514 . . 2 . . . . 91 D HB1 . 16534 1 740 . 1 1 91 91 ASP HB3 H 1 2.654 . . 2 . . . . 91 D HB2 . 16534 1 741 . 1 1 91 91 ASP CA C 13 54.466 . . 1 . . . . 91 D CA . 16534 1 742 . 1 1 91 91 ASP CB C 13 41.264 . . 1 . . . . 91 D CB . 16534 1 743 . 1 1 91 91 ASP N N 15 119.464 . . 1 . . . . 91 D N . 16534 1 744 . 1 1 92 92 SER H H 1 8.035 . . 1 . . . . 92 S HN . 16534 1 745 . 1 1 92 92 SER HA H 1 4.340 . . 1 . . . . 92 S HA . 16534 1 746 . 1 1 92 92 SER HB2 H 1 3.796 . . 2 . . . . 92 S HB1 . 16534 1 747 . 1 1 92 92 SER HB3 H 1 3.846 . . 2 . . . . 92 S HB2 . 16534 1 748 . 1 1 92 92 SER CA C 13 58.858 . . 1 . . . . 92 S CA . 16534 1 749 . 1 1 92 92 SER CB C 13 64.054 . . 1 . . . . 92 S CB . 16534 1 750 . 1 1 92 92 SER N N 15 115.696 . . 1 . . . . 92 S N . 16534 1 751 . 1 1 93 93 LYS H H 1 8.338 . . 1 . . . . 93 K HN . 16534 1 752 . 1 1 93 93 LYS HA H 1 4.266 . . 1 . . . . 93 K HA . 16534 1 753 . 1 1 93 93 LYS HB2 H 1 1.709 . . 2 . . . . 93 K HB1 . 16534 1 754 . 1 1 93 93 LYS HB3 H 1 1.798 . . 2 . . . . 93 K HB2 . 16534 1 755 . 1 1 93 93 LYS HD2 H 1 1.347 . . 2 . . . . 93 K HD2 . 16534 1 756 . 1 1 93 93 LYS HE2 H 1 2.916 . . 2 . . . . 93 K HE2 . 16534 1 757 . 1 1 93 93 LYS HG2 H 1 1.348 . . 2 . . . . 93 K HG2 . 16534 1 758 . 1 1 93 93 LYS CA C 13 56.860 . . 1 . . . . 93 K CA . 16534 1 759 . 1 1 93 93 LYS CB C 13 32.839 . . 1 . . . . 93 K CB . 16534 1 760 . 1 1 93 93 LYS CD C 13 24.746 . . 1 . . . . 93 K CD . 16534 1 761 . 1 1 93 93 LYS N N 15 122.685 . . 1 . . . . 93 K N . 16534 1 762 . 1 1 94 94 ASP H H 1 8.174 . . 1 . . . . 94 D HN . 16534 1 763 . 1 1 94 94 ASP HA H 1 4.531 . . 1 . . . . 94 D HA . 16534 1 764 . 1 1 94 94 ASP HB2 H 1 2.510 . . 2 . . . . 94 D HB1 . 16534 1 765 . 1 1 94 94 ASP HB3 H 1 2.643 . . 2 . . . . 94 D HB2 . 16534 1 766 . 1 1 94 94 ASP CA C 13 54.850 . . 1 . . . . 94 D CA . 16534 1 767 . 1 1 94 94 ASP CB C 13 41.392 . . 1 . . . . 94 D CB . 16534 1 768 . 1 1 94 94 ASP N N 15 120.520 . . 1 . . . . 94 D N . 16534 1 769 . 1 1 95 95 GLU H H 1 8.120 . . 1 . . . . 95 E HN . 16534 1 770 . 1 1 95 95 GLU HA H 1 4.259 . . 1 . . . . 95 E HA . 16534 1 771 . 1 1 95 95 GLU HB2 H 1 1.860 . . 2 . . . . 95 E HB1 . 16534 1 772 . 1 1 95 95 GLU HB3 H 1 1.963 . . 2 . . . . 95 E HB2 . 16534 1 773 . 1 1 95 95 GLU HG2 H 1 2.165 . . 2 . . . . 95 E HG2 . 16534 1 774 . 1 1 95 95 GLU CA C 13 56.546 . . 1 . . . . 95 E CA . 16534 1 775 . 1 1 95 95 GLU CB C 13 30.502 . . 1 . . . . 95 E CB . 16534 1 776 . 1 1 95 95 GLU CG C 13 36.372 . . 1 . . . . 95 E CG . 16534 1 777 . 1 1 95 95 GLU N N 15 120.323 . . 1 . . . . 95 E N . 16534 1 778 . 1 1 96 96 ILE H H 1 8.072 . . 1 . . . . 96 I HN . 16534 1 779 . 1 1 96 96 ILE HA H 1 4.080 . . 1 . . . . 96 I HA . 16534 1 780 . 1 1 96 96 ILE HB H 1 1.775 . . 1 . . . . 96 I HB . 16534 1 781 . 1 1 96 96 ILE HD11 H 1 0.794 . . 1 . . . . 96 I HD11 . 16534 1 782 . 1 1 96 96 ILE HD12 H 1 0.794 . . 1 . . . . 96 I HD11 . 16534 1 783 . 1 1 96 96 ILE HD13 H 1 0.794 . . 1 . . . . 96 I HD11 . 16534 1 784 . 1 1 96 96 ILE HG12 H 1 1.069 . . 1 . . . . 96 I HG11 . 16534 1 785 . 1 1 96 96 ILE HG13 H 1 1.369 . . 1 . . . . 96 I HG12 . 16534 1 786 . 1 1 96 96 ILE CA C 13 56.664 . . 1 . . . . 96 I CA . 16534 1 787 . 1 1 96 96 ILE CB C 13 38.974 . . 1 . . . . 96 I CB . 16534 1 788 . 1 1 96 96 ILE CD1 C 13 17.480 . . 1 . . . . 96 I CD1 . 16534 1 789 . 1 1 96 96 ILE CG1 C 13 27.410 . . 2 . . . . 96 I CG1 . 16534 1 790 . 1 1 96 96 ILE N N 15 121.263 . . 1 . . . . 96 I N . 16534 1 791 . 1 1 97 97 GLU H H 1 8.383 . . 1 . . . . 97 E HN . 16534 1 792 . 1 1 97 97 GLU HA H 1 4.245 . . 1 . . . . 97 E HA . 16534 1 793 . 1 1 97 97 GLU HB2 H 1 1.857 . . 2 . . . . 97 E HB1 . 16534 1 794 . 1 1 97 97 GLU HB3 H 1 1.970 . . 2 . . . . 97 E HB2 . 16534 1 795 . 1 1 97 97 GLU HG2 H 1 2.184 . . 2 . . . . 97 E HG1 . 16534 1 796 . 1 1 97 97 GLU HG3 H 1 2.203 . . 2 . . . . 97 E HG2 . 16534 1 797 . 1 1 97 97 GLU CA C 13 56.719 . . 1 . . . . 97 E CA . 16534 1 798 . 1 1 97 97 GLU CB C 13 30.380 . . 1 . . . . 97 E CB . 16534 1 799 . 1 1 97 97 GLU CG C 13 36.372 . . 1 . . . . 97 E CG . 16534 1 800 . 1 1 97 97 GLU N N 15 124.788 . . 1 . . . . 97 E N . 16534 1 801 . 1 1 98 98 ASP H H 1 8.238 . . 1 . . . . 98 D HN . 16534 1 802 . 1 1 98 98 ASP HA H 1 4.499 . . 1 . . . . 98 D HA . 16534 1 803 . 1 1 98 98 ASP HB2 H 1 2.509 . . 2 . . . . 98 D HB1 . 16534 1 804 . 1 1 98 98 ASP HB3 H 1 2.614 . . 2 . . . . 98 D HB2 . 16534 1 805 . 1 1 98 98 ASP CA C 13 54.682 . . 1 . . . . 98 D CA . 16534 1 806 . 1 1 98 98 ASP CB C 13 41.478 . . 1 . . . . 98 D CB . 16534 1 807 . 1 1 98 98 ASP N N 15 121.513 . . 1 . . . . 98 D N . 16534 1 808 . 1 1 99 99 GLU H H 1 8.297 . . 1 . . . . 99 E HN . 16534 1 809 . 1 1 99 99 GLU HA H 1 4.202 . . 1 . . . . 99 E HA . 16534 1 810 . 1 1 99 99 GLU HB2 H 1 1.862 . . 2 . . . . 99 E HB1 . 16534 1 811 . 1 1 99 99 GLU HB3 H 1 1.965 . . 2 . . . . 99 E HB2 . 16534 1 812 . 1 1 99 99 GLU HG2 H 1 2.144 . . 2 . . . . 99 E HG1 . 16534 1 813 . 1 1 99 99 GLU HG3 H 1 2.199 . . 2 . . . . 99 E HG2 . 16534 1 814 . 1 1 99 99 GLU CA C 13 56.649 . . 1 . . . . 99 E CA . 16534 1 815 . 1 1 99 99 GLU CB C 13 30.451 . . 1 . . . . 99 E CB . 16534 1 816 . 1 1 99 99 GLU CG C 13 36.372 . . 1 . . . . 99 E CG . 16534 1 817 . 1 1 99 99 GLU N N 15 120.972 . . 1 . . . . 99 E N . 16534 1 818 . 1 1 100 100 LEU H H 1 8.200 . . 1 . . . . 100 L HN . 16534 1 819 . 1 1 100 100 LEU HA H 1 4.323 . . 1 . . . . 100 L HA . 16534 1 820 . 1 1 100 100 LEU HB2 H 1 1.508 . . 2 . . . . 100 L HB1 . 16534 1 821 . 1 1 100 100 LEU HB3 H 1 1.585 . . 2 . . . . 100 L HB2 . 16534 1 822 . 1 1 100 100 LEU HD11 H 1 0.815 . . 2 . . . . 100 L HD11 . 16534 1 823 . 1 1 100 100 LEU HD12 H 1 0.815 . . 2 . . . . 100 L HD11 . 16534 1 824 . 1 1 100 100 LEU HD13 H 1 0.815 . . 2 . . . . 100 L HD11 . 16534 1 825 . 1 1 100 100 LEU HD21 H 1 0.757 . . 2 . . . . 100 L HD21 . 16534 1 826 . 1 1 100 100 LEU HD22 H 1 0.757 . . 2 . . . . 100 L HD21 . 16534 1 827 . 1 1 100 100 LEU HD23 H 1 0.757 . . 2 . . . . 100 L HD21 . 16534 1 828 . 1 1 100 100 LEU CA C 13 55.090 . . 1 . . . . 100 L CA . 16534 1 829 . 1 1 100 100 LEU CB C 13 42.372 . . 1 . . . . 100 L CB . 16534 1 830 . 1 1 100 100 LEU CD1 C 13 24.988 . . 1 . . . . 100 L CD1 . 16534 1 831 . 1 1 100 100 LEU CD2 C 13 17.722 . . 1 . . . . 100 L CD2 . 16534 1 832 . 1 1 100 100 LEU N N 15 122.917 . . 1 . . . . 100 L N . 16534 1 833 . 1 1 101 101 SER H H 1 8.135 . . 1 . . . . 101 S HN . 16534 1 834 . 1 1 101 101 SER HA H 1 4.392 . . 1 . . . . 101 S HA . 16534 1 835 . 1 1 101 101 SER HB2 H 1 3.786 . . 2 . . . . 101 S HB2 . 16534 1 836 . 1 1 101 101 SER CA C 13 58.353 . . 1 . . . . 101 S CA . 16534 1 837 . 1 1 101 101 SER CB C 13 64.414 . . 1 . . . . 101 S CB . 16534 1 838 . 1 1 101 101 SER N N 15 116.914 . . 1 . . . . 101 S N . 16534 1 839 . 1 1 102 102 ASP H H 1 7.931 . . 1 . . . . 102 D HN . 16534 1 840 . 1 1 102 102 ASP HA H 1 4.325 . . 1 . . . . 102 D HA . 16534 1 841 . 1 1 102 102 ASP HB2 H 1 2.480 . . 2 . . . . 102 D HB1 . 16534 1 842 . 1 1 102 102 ASP HB3 H 1 2.584 . . 2 . . . . 102 D HB2 . 16534 1 843 . 1 1 102 102 ASP CA C 13 56.189 . . 1 . . . . 102 D CA . 16534 1 844 . 1 1 102 102 ASP CB C 13 42.292 . . 1 . . . . 102 D CB . 16534 1 845 . 1 1 102 102 ASP N N 15 127.636 . . 1 . . . . 102 D N . 16534 1 stop_ save_