data_18416 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18416 _Entry.Title ; 1H,15N and 13C backbone and side chain chemical shifts of the ubiquitin homology domain of mouse BAG-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-04-24 _Entry.Accession_date 2012-04-24 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'homology domain of mouse BAG-1' _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 'Hsiao Wen' Huang . . . 18416 2 Chin Yu . . . 18416 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18416 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 383 18416 '15N chemical shifts' 96 18416 '1H chemical shifts' 634 18416 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 . . 2014-02-24 2012-04-24 update BMRB 'update entry citation' 18416 1 . . 2012-09-14 2012-04-24 original author 'original release' 18416 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LWP 'BMRB Entry Tracking System' 18416 PDB 2M8S 'BMRB Entry Tracking System' 18416 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18416 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22903788 _Citation.Full_citation . _Citation.Title 'Backbone and side-chain resonance assignments (1H, 15N and 13C) of the ubiquitin homology domain of mouse BAG-1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 235 _Citation.Page_last 239 _Citation.Year 2013 _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 Hsiao-Wen Huang . . . 18416 1 2 Chin Yu . . . 18416 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18416 _Assembly.ID 1 _Assembly.Name 'ubiquitin homology of mouse BAG-1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'ubiquitin homology of mouse BAG-1' 1 $ubiquitin_homology_domain_of_mouse_BAG-1 A . yes native no no . . . 18416 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ubiquitin_homology_domain_of_mouse_BAG-1 _Entity.Sf_category entity _Entity.Sf_framecode ubiquitin_homology_domain_of_mouse_BAG-1 _Entity.Entry_ID 18416 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ubiquitin_homology_domain_of_mouse_BAG-1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAKTEEMVQTEEMETPRLSV IVTHSNERYDLLVTPQQGNS EPVVQDLAQLVEEATGVPLP FQKLIFKGKSLKEMETPLSA LGMQNGCRVMLIGEKSN ; _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 97 _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 2LWP . "The Nmr Solution Structure Of The The Ubiquitin Homology Domain Of Mouse Bag-1" . . . . . 100.00 97 100.00 100.00 2.09e-62 . . . . 18416 1 2 no PDB 2M8S . "Nmr Structure Of The Cytoplasmic Tail Of The Membrane Form Of Heparin- Binding Egf-like Growth Factor (prohb-egf-ct) Complexed " . . . . . 100.00 97 100.00 100.00 2.09e-62 . . . . 18416 1 3 no DBJ BAB26106 . "unnamed protein product [Mus musculus]" . . . . . 100.00 219 100.00 100.00 5.55e-62 . . . . 18416 1 4 no GB AAC34259 . "Bcl-2-binding protein [Mus musculus]" . . . . . 100.00 355 100.00 100.00 1.21e-60 . . . . 18416 1 5 no GB AAH03722 . "BCL2-associated athanogene 1 [Mus musculus]" . . . . . 100.00 355 100.00 100.00 9.38e-61 . . . . 18416 1 6 no GB AAH69918 . "BCL2-associated athanogene 1 [Mus musculus]" . . . . . 100.00 355 100.00 100.00 9.38e-61 . . . . 18416 1 7 no GB AAH93509 . "BCL2-associated athanogene 1 [Mus musculus]" . . . . . 100.00 355 100.00 100.00 9.38e-61 . . . . 18416 1 8 no GB EDL05422 . "Bcl2-associated athanogene 1, isoform CRA_a [Mus musculus]" . . . . . 100.00 219 100.00 100.00 5.55e-62 . . . . 18416 1 9 no REF NP_001165210 . "BAG family molecular chaperone regulator 1 isoform 1S [Mus musculus]" . . . . . 100.00 219 100.00 100.00 5.55e-62 . . . . 18416 1 10 no REF NP_033866 . "BAG family molecular chaperone regulator 1 isoform 1L [Mus musculus]" . . . . . 100.00 355 100.00 100.00 9.38e-61 . . . . 18416 1 11 no SP Q60739 . "RecName: Full=BAG family molecular chaperone regulator 1; Short=BAG-1; AltName: Full=Bcl-2-associated athanogene 1" . . . . . 100.00 355 100.00 100.00 1.21e-60 . . . . 18416 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 . MET . 18416 1 2 . ALA . 18416 1 3 . LYS . 18416 1 4 . THR . 18416 1 5 . GLU . 18416 1 6 . GLU . 18416 1 7 . MET . 18416 1 8 . VAL . 18416 1 9 . GLN . 18416 1 10 . THR . 18416 1 11 . GLU . 18416 1 12 . GLU . 18416 1 13 . MET . 18416 1 14 . GLU . 18416 1 15 . THR . 18416 1 16 . PRO . 18416 1 17 . ARG . 18416 1 18 . LEU . 18416 1 19 . SER . 18416 1 20 . VAL . 18416 1 21 . ILE . 18416 1 22 . VAL . 18416 1 23 . THR . 18416 1 24 . HIS . 18416 1 25 . SER . 18416 1 26 . ASN . 18416 1 27 . GLU . 18416 1 28 . ARG . 18416 1 29 . TYR . 18416 1 30 . ASP . 18416 1 31 . LEU . 18416 1 32 . LEU . 18416 1 33 . VAL . 18416 1 34 . THR . 18416 1 35 . PRO . 18416 1 36 . GLN . 18416 1 37 . GLN . 18416 1 38 . GLY . 18416 1 39 . ASN . 18416 1 40 . SER . 18416 1 41 . GLU . 18416 1 42 . PRO . 18416 1 43 . VAL . 18416 1 44 . VAL . 18416 1 45 . GLN . 18416 1 46 . ASP . 18416 1 47 . LEU . 18416 1 48 . ALA . 18416 1 49 . GLN . 18416 1 50 . LEU . 18416 1 51 . VAL . 18416 1 52 . GLU . 18416 1 53 . GLU . 18416 1 54 . ALA . 18416 1 55 . THR . 18416 1 56 . GLY . 18416 1 57 . VAL . 18416 1 58 . PRO . 18416 1 59 . LEU . 18416 1 60 . PRO . 18416 1 61 . PHE . 18416 1 62 . GLN . 18416 1 63 . LYS . 18416 1 64 . LEU . 18416 1 65 . ILE . 18416 1 66 . PHE . 18416 1 67 . LYS . 18416 1 68 . GLY . 18416 1 69 . LYS . 18416 1 70 . SER . 18416 1 71 . LEU . 18416 1 72 . LYS . 18416 1 73 . GLU . 18416 1 74 . MET . 18416 1 75 . GLU . 18416 1 76 . THR . 18416 1 77 . PRO . 18416 1 78 . LEU . 18416 1 79 . SER . 18416 1 80 . ALA . 18416 1 81 . LEU . 18416 1 82 . GLY . 18416 1 83 . MET . 18416 1 84 . GLN . 18416 1 85 . ASN . 18416 1 86 . GLY . 18416 1 87 . CYS . 18416 1 88 . ARG . 18416 1 89 . VAL . 18416 1 90 . MET . 18416 1 91 . LEU . 18416 1 92 . ILE . 18416 1 93 . GLY . 18416 1 94 . GLU . 18416 1 95 . LYS . 18416 1 96 . SER . 18416 1 97 . ASN . 18416 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 . MET 1 1 18416 1 . ALA 2 2 18416 1 . LYS 3 3 18416 1 . THR 4 4 18416 1 . GLU 5 5 18416 1 . GLU 6 6 18416 1 . MET 7 7 18416 1 . VAL 8 8 18416 1 . GLN 9 9 18416 1 . THR 10 10 18416 1 . GLU 11 11 18416 1 . GLU 12 12 18416 1 . MET 13 13 18416 1 . GLU 14 14 18416 1 . THR 15 15 18416 1 . PRO 16 16 18416 1 . ARG 17 17 18416 1 . LEU 18 18 18416 1 . SER 19 19 18416 1 . VAL 20 20 18416 1 . ILE 21 21 18416 1 . VAL 22 22 18416 1 . THR 23 23 18416 1 . HIS 24 24 18416 1 . SER 25 25 18416 1 . ASN 26 26 18416 1 . GLU 27 27 18416 1 . ARG 28 28 18416 1 . TYR 29 29 18416 1 . ASP 30 30 18416 1 . LEU 31 31 18416 1 . LEU 32 32 18416 1 . VAL 33 33 18416 1 . THR 34 34 18416 1 . PRO 35 35 18416 1 . GLN 36 36 18416 1 . GLN 37 37 18416 1 . GLY 38 38 18416 1 . ASN 39 39 18416 1 . SER 40 40 18416 1 . GLU 41 41 18416 1 . PRO 42 42 18416 1 . VAL 43 43 18416 1 . VAL 44 44 18416 1 . GLN 45 45 18416 1 . ASP 46 46 18416 1 . LEU 47 47 18416 1 . ALA 48 48 18416 1 . GLN 49 49 18416 1 . LEU 50 50 18416 1 . VAL 51 51 18416 1 . GLU 52 52 18416 1 . GLU 53 53 18416 1 . ALA 54 54 18416 1 . THR 55 55 18416 1 . GLY 56 56 18416 1 . VAL 57 57 18416 1 . PRO 58 58 18416 1 . LEU 59 59 18416 1 . PRO 60 60 18416 1 . PHE 61 61 18416 1 . GLN 62 62 18416 1 . LYS 63 63 18416 1 . LEU 64 64 18416 1 . ILE 65 65 18416 1 . PHE 66 66 18416 1 . LYS 67 67 18416 1 . GLY 68 68 18416 1 . LYS 69 69 18416 1 . SER 70 70 18416 1 . LEU 71 71 18416 1 . LYS 72 72 18416 1 . GLU 73 73 18416 1 . MET 74 74 18416 1 . GLU 75 75 18416 1 . THR 76 76 18416 1 . PRO 77 77 18416 1 . LEU 78 78 18416 1 . SER 79 79 18416 1 . ALA 80 80 18416 1 . LEU 81 81 18416 1 . GLY 82 82 18416 1 . MET 83 83 18416 1 . GLN 84 84 18416 1 . ASN 85 85 18416 1 . GLY 86 86 18416 1 . CYS 87 87 18416 1 . ARG 88 88 18416 1 . VAL 89 89 18416 1 . MET 90 90 18416 1 . LEU 91 91 18416 1 . ILE 92 92 18416 1 . GLY 93 93 18416 1 . GLU 94 94 18416 1 . LYS 95 95 18416 1 . SER 96 96 18416 1 . ASN 97 97 18416 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 18416 _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 $ubiquitin_homology_domain_of_mouse_BAG-1 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 18416 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 18416 _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 $ubiquitin_homology_domain_of_mouse_BAG-1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pGEX-4T-1 . . . . . . 18416 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18416 _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 'ubiquitin homology domain of mouse BAG-1' '[U-100% 13C; U-100% 15N]' . . 1 $ubiquitin_homology_domain_of_mouse_BAG-1 . . 1.0 . . mM . . . . 18416 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18416 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18416 1 4 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 18416 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18416 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18416 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 18416 _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' 120 . mM 18416 1 pH 6.0 . pH 18416 1 pressure 1 . atm 18416 1 temperature 298 . K 18416 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 18416 _Software.ID 1 _Software.Name VNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18416 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18416 1 processing 18416 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18416 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18416 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18416 2 'data analysis' 18416 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18416 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMR _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 18416 _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 Varian VNMR . 700 . . . 18416 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 18416 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18416 1 2 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18416 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18416 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18416 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18416 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18416 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18416 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18416 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18416 1 10 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18416 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 18416 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18416 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18416 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18416 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 18416 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18416 1 2 '3D C(CO)NH' . . . 18416 1 3 '3D HNCO' . . . 18416 1 4 '3D HNCA' . . . 18416 1 5 '3D HNCACB' . . . 18416 1 6 '3D HBHA(CO)NH' . . . 18416 1 7 '3D HN(CO)CA' . . . 18416 1 8 '3D H(CCO)NH' . . . 18416 1 9 '3D HCCH-TOCSY' . . . 18416 1 10 '3D HCCH-COSY' . . . 18416 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 3 3 LYS HA H 1 4.255 0.002 . . . . . A 3 LYS HA . 18416 1 2 . 1 1 3 3 LYS HB2 H 1 1.663 0.003 . . . . . A 3 LYS HB2 . 18416 1 3 . 1 1 3 3 LYS HB3 H 1 1.663 0.003 . . . . . A 3 LYS HB3 . 18416 1 4 . 1 1 3 3 LYS HG2 H 1 1.315 0 . . . . . A 3 LYS HG2 . 18416 1 5 . 1 1 3 3 LYS HG3 H 1 1.315 0 . . . . . A 3 LYS HG3 . 18416 1 6 . 1 1 3 3 LYS HD2 H 1 1.581 0 . . . . . A 3 LYS HD2 . 18416 1 7 . 1 1 3 3 LYS HD3 H 1 1.581 0 . . . . . A 3 LYS HD3 . 18416 1 8 . 1 1 3 3 LYS HE2 H 1 2.858 0 . . . . . A 3 LYS HE2 . 18416 1 9 . 1 1 3 3 LYS HE3 H 1 2.858 0 . . . . . A 3 LYS HE3 . 18416 1 10 . 1 1 3 3 LYS C C 13 176.761 0 . . . . . A 3 LYS C . 18416 1 11 . 1 1 3 3 LYS CA C 13 56.166 0.027 . . . . . A 3 LYS CA . 18416 1 12 . 1 1 3 3 LYS CB C 13 32.921 0 . . . . . A 3 LYS CB . 18416 1 13 . 1 1 3 3 LYS CG C 13 24.497 0 . . . . . A 3 LYS CG . 18416 1 14 . 1 1 3 3 LYS CD C 13 28.923 0 . . . . . A 3 LYS CD . 18416 1 15 . 1 1 3 3 LYS CE C 13 42.008 0 . . . . . A 3 LYS CE . 18416 1 16 . 1 1 4 4 THR H H 1 8.043 0.002 . . . . . A 4 THR H . 18416 1 17 . 1 1 4 4 THR HA H 1 4.199 0 . . . . . A 4 THR HA . 18416 1 18 . 1 1 4 4 THR HB H 1 4.098 0 . . . . . A 4 THR HB . 18416 1 19 . 1 1 4 4 THR HG21 H 1 1.065 0 . . . . . A 4 THR HG21 . 18416 1 20 . 1 1 4 4 THR HG22 H 1 1.065 0 . . . . . A 4 THR HG22 . 18416 1 21 . 1 1 4 4 THR HG23 H 1 1.065 0 . . . . . A 4 THR HG23 . 18416 1 22 . 1 1 4 4 THR C C 13 174.445 0 . . . . . A 4 THR C . 18416 1 23 . 1 1 4 4 THR CA C 13 61.824 0.069 . . . . . A 4 THR CA . 18416 1 24 . 1 1 4 4 THR CB C 13 69.807 0.013 . . . . . A 4 THR CB . 18416 1 25 . 1 1 4 4 THR CG2 C 13 20.89 0 . . . . . A 4 THR CG2 . 18416 1 26 . 1 1 4 4 THR N N 15 115.699 0.034 . . . . . A 4 THR N . 18416 1 27 . 1 1 5 5 GLU H H 1 8.365 0.006 . . . . . A 5 GLU H . 18416 1 28 . 1 1 5 5 GLU CA C 13 56.691 0.017 . . . . . A 5 GLU CA . 18416 1 29 . 1 1 5 5 GLU CB C 13 30.322 0 . . . . . A 5 GLU CB . 18416 1 30 . 1 1 5 5 GLU N N 15 122.834 0.048 . . . . . A 5 GLU N . 18416 1 31 . 1 1 6 6 GLU HA H 1 4.142 0.001 . . . . . A 6 GLU HA . 18416 1 32 . 1 1 6 6 GLU HB2 H 1 1.889 0.004 . . . . . A 6 GLU HB2 . 18416 1 33 . 1 1 6 6 GLU HB3 H 1 1.803 0.006 . . . . . A 6 GLU HB3 . 18416 1 34 . 1 1 6 6 GLU HG2 H 1 2.123 0 . . . . . A 6 GLU HG2 . 18416 1 35 . 1 1 6 6 GLU HG3 H 1 2.123 0 . . . . . A 6 GLU HG3 . 18416 1 36 . 1 1 6 6 GLU C C 13 176.289 0 . . . . . A 6 GLU C . 18416 1 37 . 1 1 6 6 GLU CA C 13 56.606 0.035 . . . . . A 6 GLU CA . 18416 1 38 . 1 1 6 6 GLU CB C 13 30.039 0 . . . . . A 6 GLU CB . 18416 1 39 . 1 1 6 6 GLU CG C 13 36.024 0 . . . . . A 6 GLU CG . 18416 1 40 . 1 1 7 7 MET H H 1 8.192 0.004 . . . . . A 7 MET H . 18416 1 41 . 1 1 7 7 MET HA H 1 4.331 0.013 . . . . . A 7 MET HA . 18416 1 42 . 1 1 7 7 MET HB2 H 1 1.906 0.004 . . . . . A 7 MET HB2 . 18416 1 43 . 1 1 7 7 MET HB3 H 1 1.906 0.004 . . . . . A 7 MET HB3 . 18416 1 44 . 1 1 7 7 MET HG2 H 1 2.418 0 . . . . . A 7 MET HG2 . 18416 1 45 . 1 1 7 7 MET HG3 H 1 2.418 0 . . . . . A 7 MET HG3 . 18416 1 46 . 1 1 7 7 MET C C 13 175.865 0 . . . . . A 7 MET C . 18416 1 47 . 1 1 7 7 MET CA C 13 55.494 0.046 . . . . . A 7 MET CA . 18416 1 48 . 1 1 7 7 MET CB C 13 32.804 0 . . . . . A 7 MET CB . 18416 1 49 . 1 1 7 7 MET CG C 13 31.814 0 . . . . . A 7 MET CG . 18416 1 50 . 1 1 7 7 MET N N 15 121.252 0.076 . . . . . A 7 MET N . 18416 1 51 . 1 1 8 8 VAL H H 1 8.025 0.003 . . . . . A 8 VAL H . 18416 1 52 . 1 1 8 8 VAL HA H 1 3.964 0.002 . . . . . A 8 VAL HA . 18416 1 53 . 1 1 8 8 VAL HB H 1 1.91 0.001 . . . . . A 8 VAL HB . 18416 1 54 . 1 1 8 8 VAL HG11 H 1 0.789 0 . . . . . A 8 VAL HG11 . 18416 1 55 . 1 1 8 8 VAL HG12 H 1 0.789 0 . . . . . A 8 VAL HG12 . 18416 1 56 . 1 1 8 8 VAL HG13 H 1 0.789 0 . . . . . A 8 VAL HG13 . 18416 1 57 . 1 1 8 8 VAL HG21 H 1 0.789 0 . . . . . A 8 VAL HG21 . 18416 1 58 . 1 1 8 8 VAL HG22 H 1 0.789 0 . . . . . A 8 VAL HG22 . 18416 1 59 . 1 1 8 8 VAL HG23 H 1 0.789 0 . . . . . A 8 VAL HG23 . 18416 1 60 . 1 1 8 8 VAL C C 13 175.865 0 . . . . . A 8 VAL C . 18416 1 61 . 1 1 8 8 VAL CA C 13 62.334 0.017 . . . . . A 8 VAL CA . 18416 1 62 . 1 1 8 8 VAL CB C 13 32.656 0 . . . . . A 8 VAL CB . 18416 1 63 . 1 1 8 8 VAL CG1 C 13 20.655 0 . . . . . A 8 VAL CG1 . 18416 1 64 . 1 1 8 8 VAL CG2 C 13 20.655 0 . . . . . A 8 VAL CG2 . 18416 1 65 . 1 1 8 8 VAL N N 15 121.972 0.06 . . . . . A 8 VAL N . 18416 1 66 . 1 1 9 9 GLN H H 1 8.381 0.001 . . . . . A 9 GLN H . 18416 1 67 . 1 1 9 9 GLN HA H 1 4.309 0.002 . . . . . A 9 GLN HA . 18416 1 68 . 1 1 9 9 GLN HB2 H 1 1.988 0.016 . . . . . A 9 GLN HB2 . 18416 1 69 . 1 1 9 9 GLN HB3 H 1 1.869 0.018 . . . . . A 9 GLN HB3 . 18416 1 70 . 1 1 9 9 GLN HG2 H 1 2.238 0 . . . . . A 9 GLN HG2 . 18416 1 71 . 1 1 9 9 GLN HG3 H 1 2.238 0 . . . . . A 9 GLN HG3 . 18416 1 72 . 1 1 9 9 GLN HE21 H 1 7.449 0 . . . . . A 9 GLN HE21 . 18416 1 73 . 1 1 9 9 GLN HE22 H 1 6.703 0 . . . . . A 9 GLN HE22 . 18416 1 74 . 1 1 9 9 GLN C C 13 175.88 0 . . . . . A 9 GLN C . 18416 1 75 . 1 1 9 9 GLN CA C 13 55.692 0.035 . . . . . A 9 GLN CA . 18416 1 76 . 1 1 9 9 GLN CB C 13 29.142 0 . . . . . A 9 GLN CB . 18416 1 77 . 1 1 9 9 GLN CG C 13 33.579 0 . . . . . A 9 GLN CG . 18416 1 78 . 1 1 9 9 GLN N N 15 124.488 0.028 . . . . . A 9 GLN N . 18416 1 79 . 1 1 9 9 GLN NE2 N 15 112.477 0 . . . . . A 9 GLN NE2 . 18416 1 80 . 1 1 10 10 THR H H 1 8.104 0.001 . . . . . A 10 THR H . 18416 1 81 . 1 1 10 10 THR HA H 1 4.126 0 . . . . . A 10 THR HA . 18416 1 82 . 1 1 10 10 THR HB H 1 4.007 0 . . . . . A 10 THR HB . 18416 1 83 . 1 1 10 10 THR HG21 H 1 1.074 0 . . . . . A 10 THR HG21 . 18416 1 84 . 1 1 10 10 THR HG22 H 1 1.074 0 . . . . . A 10 THR HG22 . 18416 1 85 . 1 1 10 10 THR HG23 H 1 1.074 0 . . . . . A 10 THR HG23 . 18416 1 86 . 1 1 10 10 THR C C 13 174.606 0 . . . . . A 10 THR C . 18416 1 87 . 1 1 10 10 THR CA C 13 61.837 0.081 . . . . . A 10 THR CA . 18416 1 88 . 1 1 10 10 THR CB C 13 69.799 0 . . . . . A 10 THR CB . 18416 1 89 . 1 1 10 10 THR CG2 C 13 21.236 0 . . . . . A 10 THR CG2 . 18416 1 90 . 1 1 10 10 THR N N 15 116.129 0.054 . . . . . A 10 THR N . 18416 1 91 . 1 1 11 11 GLU H H 1 8.407 0.01 . . . . . A 11 GLU H . 18416 1 92 . 1 1 11 11 GLU HA H 1 4.167 0.012 . . . . . A 11 GLU HA . 18416 1 93 . 1 1 11 11 GLU HB2 H 1 1.922 0.016 . . . . . A 11 GLU HB2 . 18416 1 94 . 1 1 11 11 GLU HB3 H 1 1.807 0.015 . . . . . A 11 GLU HB3 . 18416 1 95 . 1 1 11 11 GLU HG2 H 1 2.126 0 . . . . . A 11 GLU HG2 . 18416 1 96 . 1 1 11 11 GLU HG3 H 1 2.126 0 . . . . . A 11 GLU HG3 . 18416 1 97 . 1 1 11 11 GLU C C 13 176.286 0 . . . . . A 11 GLU C . 18416 1 98 . 1 1 11 11 GLU CA C 13 56.66 0.059 . . . . . A 11 GLU CA . 18416 1 99 . 1 1 11 11 GLU CB C 13 30.097 0 . . . . . A 11 GLU CB . 18416 1 100 . 1 1 11 11 GLU CG C 13 36.011 0 . . . . . A 11 GLU CG . 18416 1 101 . 1 1 11 11 GLU N N 15 122.539 0.023 . . . . . A 11 GLU N . 18416 1 102 . 1 1 12 12 GLU H H 1 8.305 0.002 . . . . . A 12 GLU H . 18416 1 103 . 1 1 12 12 GLU HA H 1 4.447 0.003 . . . . . A 12 GLU HA . 18416 1 104 . 1 1 12 12 GLU HB2 H 1 1.954 0 . . . . . A 12 GLU HB2 . 18416 1 105 . 1 1 12 12 GLU HB3 H 1 1.954 0 . . . . . A 12 GLU HB3 . 18416 1 106 . 1 1 12 12 GLU HG2 H 1 2.13 0 . . . . . A 12 GLU HG2 . 18416 1 107 . 1 1 12 12 GLU HG3 H 1 2.13 0 . . . . . A 12 GLU HG3 . 18416 1 108 . 1 1 12 12 GLU C C 13 176.789 0 . . . . . A 12 GLU C . 18416 1 109 . 1 1 12 12 GLU CA C 13 56.046 0.329 . . . . . A 12 GLU CA . 18416 1 110 . 1 1 12 12 GLU CB C 13 28.731 0 . . . . . A 12 GLU CB . 18416 1 111 . 1 1 12 12 GLU CG C 13 36.107 0 . . . . . A 12 GLU CG . 18416 1 112 . 1 1 12 12 GLU N N 15 121.775 0.036 . . . . . A 12 GLU N . 18416 1 113 . 1 1 13 13 MET H H 1 8.475 0.003 . . . . . A 13 MET H . 18416 1 114 . 1 1 13 13 MET HA H 1 4.091 0.001 . . . . . A 13 MET HA . 18416 1 115 . 1 1 13 13 MET HB2 H 1 1.965 0.001 . . . . . A 13 MET HB2 . 18416 1 116 . 1 1 13 13 MET HB3 H 1 1.793 0.001 . . . . . A 13 MET HB3 . 18416 1 117 . 1 1 13 13 MET HG2 H 1 2.866 0 . . . . . A 13 MET HG2 . 18416 1 118 . 1 1 13 13 MET HG3 H 1 2.253 0 . . . . . A 13 MET HG3 . 18416 1 119 . 1 1 13 13 MET C C 13 177.404 0 . . . . . A 13 MET C . 18416 1 120 . 1 1 13 13 MET CA C 13 56.334 0.06 . . . . . A 13 MET CA . 18416 1 121 . 1 1 13 13 MET CB C 13 33.51 0 . . . . . A 13 MET CB . 18416 1 122 . 1 1 13 13 MET CG C 13 33.12 0 . . . . . A 13 MET CG . 18416 1 123 . 1 1 13 13 MET N N 15 122.658 0.042 . . . . . A 13 MET N . 18416 1 124 . 1 1 14 14 GLU H H 1 8.744 0.004 . . . . . A 14 GLU H . 18416 1 125 . 1 1 14 14 GLU HA H 1 4.188 0.005 . . . . . A 14 GLU HA . 18416 1 126 . 1 1 14 14 GLU HB2 H 1 2.04 0.009 . . . . . A 14 GLU HB2 . 18416 1 127 . 1 1 14 14 GLU HB3 H 1 1.869 0.012 . . . . . A 14 GLU HB3 . 18416 1 128 . 1 1 14 14 GLU HG2 H 1 2.129 0 . . . . . A 14 GLU HG2 . 18416 1 129 . 1 1 14 14 GLU HG3 H 1 2.129 0 . . . . . A 14 GLU HG3 . 18416 1 130 . 1 1 14 14 GLU C C 13 176.047 0 . . . . . A 14 GLU C . 18416 1 131 . 1 1 14 14 GLU CA C 13 56.45 0.009 . . . . . A 14 GLU CA . 18416 1 132 . 1 1 14 14 GLU CB C 13 28.799 0 . . . . . A 14 GLU CB . 18416 1 133 . 1 1 14 14 GLU CG C 13 36.076 0 . . . . . A 14 GLU CG . 18416 1 134 . 1 1 14 14 GLU N N 15 115.269 0.029 . . . . . A 14 GLU N . 18416 1 135 . 1 1 15 15 THR H H 1 7.149 0.003 . . . . . A 15 THR H . 18416 1 136 . 1 1 15 15 THR HA H 1 4.147 0 . . . . . A 15 THR HA . 18416 1 137 . 1 1 15 15 THR HB H 1 3.82 0 . . . . . A 15 THR HB . 18416 1 138 . 1 1 15 15 THR HG21 H 1 1.224 0 . . . . . A 15 THR HG21 . 18416 1 139 . 1 1 15 15 THR HG22 H 1 1.224 0 . . . . . A 15 THR HG22 . 18416 1 140 . 1 1 15 15 THR HG23 H 1 1.224 0 . . . . . A 15 THR HG23 . 18416 1 141 . 1 1 15 15 THR CA C 13 61.958 0.106 . . . . . A 15 THR CA . 18416 1 142 . 1 1 15 15 THR CB C 13 70.396 0 . . . . . A 15 THR CB . 18416 1 143 . 1 1 15 15 THR N N 15 117.84 0.034 . . . . . A 15 THR N . 18416 1 144 . 1 1 16 16 PRO HA H 1 4.341 0.013 . . . . . A 16 PRO HA . 18416 1 145 . 1 1 16 16 PRO HB2 H 1 2.226 0.005 . . . . . A 16 PRO HB2 . 18416 1 146 . 1 1 16 16 PRO HB3 H 1 1.704 0.003 . . . . . A 16 PRO HB3 . 18416 1 147 . 1 1 16 16 PRO HG2 H 1 1.938 0 . . . . . A 16 PRO HG2 . 18416 1 148 . 1 1 16 16 PRO HG3 H 1 1.938 0 . . . . . A 16 PRO HG3 . 18416 1 149 . 1 1 16 16 PRO HD2 H 1 3.54 0 . . . . . A 16 PRO HD2 . 18416 1 150 . 1 1 16 16 PRO HD3 H 1 3.74 0 . . . . . A 16 PRO HD3 . 18416 1 151 . 1 1 16 16 PRO C C 13 175.211 0 . . . . . A 16 PRO C . 18416 1 152 . 1 1 16 16 PRO CA C 13 63.383 0.065 . . . . . A 16 PRO CA . 18416 1 153 . 1 1 16 16 PRO CB C 13 32.25 0 . . . . . A 16 PRO CB . 18416 1 154 . 1 1 16 16 PRO CG C 13 27.595 0 . . . . . A 16 PRO CG . 18416 1 155 . 1 1 16 16 PRO CD C 13 51.206 0 . . . . . A 16 PRO CD . 18416 1 156 . 1 1 17 17 ARG H H 1 7.806 0.003 . . . . . A 17 ARG H . 18416 1 157 . 1 1 17 17 ARG HA H 1 4.757 0.004 . . . . . A 17 ARG HA . 18416 1 158 . 1 1 17 17 ARG HB2 H 1 1.537 0.004 . . . . . A 17 ARG HB2 . 18416 1 159 . 1 1 17 17 ARG HB3 H 1 1.405 0.01 . . . . . A 17 ARG HB3 . 18416 1 160 . 1 1 17 17 ARG HG2 H 1 1.429 0 . . . . . A 17 ARG HG2 . 18416 1 161 . 1 1 17 17 ARG HG3 H 1 1.429 0 . . . . . A 17 ARG HG3 . 18416 1 162 . 1 1 17 17 ARG HD2 H 1 2.962 0 . . . . . A 17 ARG HD2 . 18416 1 163 . 1 1 17 17 ARG HD3 H 1 2.962 0 . . . . . A 17 ARG HD3 . 18416 1 164 . 1 1 17 17 ARG C C 13 174.633 0 . . . . . A 17 ARG C . 18416 1 165 . 1 1 17 17 ARG CA C 13 54.493 0.036 . . . . . A 17 ARG CA . 18416 1 166 . 1 1 17 17 ARG CB C 13 32.701 0 . . . . . A 17 ARG CB . 18416 1 167 . 1 1 17 17 ARG CG C 13 26.027 0 . . . . . A 17 ARG CG . 18416 1 168 . 1 1 17 17 ARG CD C 13 43.556 0 . . . . . A 17 ARG CD . 18416 1 169 . 1 1 17 17 ARG N N 15 117.786 0.048 . . . . . A 17 ARG N . 18416 1 170 . 1 1 18 18 LEU H H 1 8.313 0.003 . . . . . A 18 LEU H . 18416 1 171 . 1 1 18 18 LEU HA H 1 4.694 0.004 . . . . . A 18 LEU HA . 18416 1 172 . 1 1 18 18 LEU HB2 H 1 1.331 0.002 . . . . . A 18 LEU HB2 . 18416 1 173 . 1 1 18 18 LEU HB3 H 1 1.115 0.008 . . . . . A 18 LEU HB3 . 18416 1 174 . 1 1 18 18 LEU HG H 1 0.389 0 . . . . . A 18 LEU HG . 18416 1 175 . 1 1 18 18 LEU HD11 H 1 0.528 0 . . . . . A 18 LEU HD11 . 18416 1 176 . 1 1 18 18 LEU HD12 H 1 0.528 0 . . . . . A 18 LEU HD12 . 18416 1 177 . 1 1 18 18 LEU HD13 H 1 0.528 0 . . . . . A 18 LEU HD13 . 18416 1 178 . 1 1 18 18 LEU HD21 H 1 0.528 0 . . . . . A 18 LEU HD21 . 18416 1 179 . 1 1 18 18 LEU HD22 H 1 0.528 0 . . . . . A 18 LEU HD22 . 18416 1 180 . 1 1 18 18 LEU HD23 H 1 0.528 0 . . . . . A 18 LEU HD23 . 18416 1 181 . 1 1 18 18 LEU C C 13 175.068 0 . . . . . A 18 LEU C . 18416 1 182 . 1 1 18 18 LEU CA C 13 54.158 0.039 . . . . . A 18 LEU CA . 18416 1 183 . 1 1 18 18 LEU CB C 13 46.096 0 . . . . . A 18 LEU CB . 18416 1 184 . 1 1 18 18 LEU CG C 13 26.422 0 . . . . . A 18 LEU CG . 18416 1 185 . 1 1 18 18 LEU CD1 C 13 24.13 0 . . . . . A 18 LEU CD1 . 18416 1 186 . 1 1 18 18 LEU CD2 C 13 24.13 0 . . . . . A 18 LEU CD2 . 18416 1 187 . 1 1 18 18 LEU N N 15 123.939 0.037 . . . . . A 18 LEU N . 18416 1 188 . 1 1 19 19 SER H H 1 8.804 0.004 . . . . . A 19 SER H . 18416 1 189 . 1 1 19 19 SER HA H 1 5.12 0.015 . . . . . A 19 SER HA . 18416 1 190 . 1 1 19 19 SER HB2 H 1 3.628 0.004 . . . . . A 19 SER HB2 . 18416 1 191 . 1 1 19 19 SER HB3 H 1 3.628 0.004 . . . . . A 19 SER HB3 . 18416 1 192 . 1 1 19 19 SER C C 13 173.682 0 . . . . . A 19 SER C . 18416 1 193 . 1 1 19 19 SER CA C 13 57.384 0.01 . . . . . A 19 SER CA . 18416 1 194 . 1 1 19 19 SER CB C 13 63.228 0 . . . . . A 19 SER CB . 18416 1 195 . 1 1 19 19 SER N N 15 122.894 0.046 . . . . . A 19 SER N . 18416 1 196 . 1 1 20 20 VAL H H 1 8.698 0.005 . . . . . A 20 VAL H . 18416 1 197 . 1 1 20 20 VAL HA H 1 4.522 0.005 . . . . . A 20 VAL HA . 18416 1 198 . 1 1 20 20 VAL HB H 1 1.559 0.002 . . . . . A 20 VAL HB . 18416 1 199 . 1 1 20 20 VAL HG11 H 1 0.496 0 . . . . . A 20 VAL HG11 . 18416 1 200 . 1 1 20 20 VAL HG12 H 1 0.496 0 . . . . . A 20 VAL HG12 . 18416 1 201 . 1 1 20 20 VAL HG13 H 1 0.496 0 . . . . . A 20 VAL HG13 . 18416 1 202 . 1 1 20 20 VAL HG21 H 1 0.604 0 . . . . . A 20 VAL HG21 . 18416 1 203 . 1 1 20 20 VAL HG22 H 1 0.604 0 . . . . . A 20 VAL HG22 . 18416 1 204 . 1 1 20 20 VAL HG23 H 1 0.604 0 . . . . . A 20 VAL HG23 . 18416 1 205 . 1 1 20 20 VAL C C 13 173.802 0 . . . . . A 20 VAL C . 18416 1 206 . 1 1 20 20 VAL CA C 13 60.293 0.015 . . . . . A 20 VAL CA . 18416 1 207 . 1 1 20 20 VAL CB C 13 35.761 0 . . . . . A 20 VAL CB . 18416 1 208 . 1 1 20 20 VAL CG1 C 13 21.385 0 . . . . . A 20 VAL CG1 . 18416 1 209 . 1 1 20 20 VAL CG2 C 13 22.01 0 . . . . . A 20 VAL CG2 . 18416 1 210 . 1 1 20 20 VAL N N 15 124.91 0.055 . . . . . A 20 VAL N . 18416 1 211 . 1 1 21 21 ILE H H 1 8.815 0.003 . . . . . A 21 ILE H . 18416 1 212 . 1 1 21 21 ILE HA H 1 4.704 0.003 . . . . . A 21 ILE HA . 18416 1 213 . 1 1 21 21 ILE HB H 1 1.683 0.002 . . . . . A 21 ILE HB . 18416 1 214 . 1 1 21 21 ILE HG12 H 1 1.32 0 . . . . . A 21 ILE HG12 . 18416 1 215 . 1 1 21 21 ILE HG13 H 1 0.992 0 . . . . . A 21 ILE HG13 . 18416 1 216 . 1 1 21 21 ILE HG21 H 1 0.645 0 . . . . . A 21 ILE HG21 . 18416 1 217 . 1 1 21 21 ILE HG22 H 1 0.645 0 . . . . . A 21 ILE HG22 . 18416 1 218 . 1 1 21 21 ILE HG23 H 1 0.645 0 . . . . . A 21 ILE HG23 . 18416 1 219 . 1 1 21 21 ILE HD11 H 1 0.625 0 . . . . . A 21 ILE HD11 . 18416 1 220 . 1 1 21 21 ILE HD12 H 1 0.625 0 . . . . . A 21 ILE HD12 . 18416 1 221 . 1 1 21 21 ILE HD13 H 1 0.625 0 . . . . . A 21 ILE HD13 . 18416 1 222 . 1 1 21 21 ILE C C 13 175.537 0 . . . . . A 21 ILE C . 18416 1 223 . 1 1 21 21 ILE CA C 13 60.02 0.069 . . . . . A 21 ILE CA . 18416 1 224 . 1 1 21 21 ILE CB C 13 38.721 0 . . . . . A 21 ILE CB . 18416 1 225 . 1 1 21 21 ILE CG1 C 13 27.538 0 . . . . . A 21 ILE CG1 . 18416 1 226 . 1 1 21 21 ILE CG2 C 13 17.289 0 . . . . . A 21 ILE CG2 . 18416 1 227 . 1 1 21 21 ILE CD1 C 13 13.156 0 . . . . . A 21 ILE CD1 . 18416 1 228 . 1 1 21 21 ILE N N 15 126.729 0.034 . . . . . A 21 ILE N . 18416 1 229 . 1 1 22 22 VAL H H 1 9.181 0.003 . . . . . A 22 VAL H . 18416 1 230 . 1 1 22 22 VAL HA H 1 5.304 0.004 . . . . . A 22 VAL HA . 18416 1 231 . 1 1 22 22 VAL HB H 1 1.805 0.002 . . . . . A 22 VAL HB . 18416 1 232 . 1 1 22 22 VAL HG11 H 1 0.61 0 . . . . . A 22 VAL HG11 . 18416 1 233 . 1 1 22 22 VAL HG12 H 1 0.61 0 . . . . . A 22 VAL HG12 . 18416 1 234 . 1 1 22 22 VAL HG13 H 1 0.61 0 . . . . . A 22 VAL HG13 . 18416 1 235 . 1 1 22 22 VAL HG21 H 1 0.665 0 . . . . . A 22 VAL HG21 . 18416 1 236 . 1 1 22 22 VAL HG22 H 1 0.665 0 . . . . . A 22 VAL HG22 . 18416 1 237 . 1 1 22 22 VAL HG23 H 1 0.665 0 . . . . . A 22 VAL HG23 . 18416 1 238 . 1 1 22 22 VAL C C 13 175.917 0 . . . . . A 22 VAL C . 18416 1 239 . 1 1 22 22 VAL CA C 13 59.812 0.052 . . . . . A 22 VAL CA . 18416 1 240 . 1 1 22 22 VAL CB C 13 34.088 0 . . . . . A 22 VAL CB . 18416 1 241 . 1 1 22 22 VAL CG1 C 13 22.072 0 . . . . . A 22 VAL CG1 . 18416 1 242 . 1 1 22 22 VAL CG2 C 13 20.824 0 . . . . . A 22 VAL CG2 . 18416 1 243 . 1 1 22 22 VAL N N 15 128.335 0.101 . . . . . A 22 VAL N . 18416 1 244 . 1 1 23 23 THR H H 1 8.688 0.004 . . . . . A 23 THR H . 18416 1 245 . 1 1 23 23 THR HA H 1 5.255 0.004 . . . . . A 23 THR HA . 18416 1 246 . 1 1 23 23 THR HB H 1 4.175 0.012 . . . . . A 23 THR HB . 18416 1 247 . 1 1 23 23 THR HG21 H 1 1.03 0 . . . . . A 23 THR HG21 . 18416 1 248 . 1 1 23 23 THR HG22 H 1 1.03 0 . . . . . A 23 THR HG22 . 18416 1 249 . 1 1 23 23 THR HG23 H 1 1.03 0 . . . . . A 23 THR HG23 . 18416 1 250 . 1 1 23 23 THR C C 13 173.213 0 . . . . . A 23 THR C . 18416 1 251 . 1 1 23 23 THR CA C 13 59.759 0.06 . . . . . A 23 THR CA . 18416 1 252 . 1 1 23 23 THR CB C 13 70.048 0.121 . . . . . A 23 THR CB . 18416 1 253 . 1 1 23 23 THR N N 15 119.251 0.092 . . . . . A 23 THR N . 18416 1 254 . 1 1 24 24 HIS H H 1 8.676 0.006 . . . . . A 24 HIS H . 18416 1 255 . 1 1 24 24 HIS HA H 1 5.189 0.001 . . . . . A 24 HIS HA . 18416 1 256 . 1 1 24 24 HIS HB2 H 1 3.247 0.001 . . . . . A 24 HIS HB2 . 18416 1 257 . 1 1 24 24 HIS HB3 H 1 2.734 0.001 . . . . . A 24 HIS HB3 . 18416 1 258 . 1 1 24 24 HIS C C 13 174.308 0 . . . . . A 24 HIS C . 18416 1 259 . 1 1 24 24 HIS CA C 13 54.315 0.039 . . . . . A 24 HIS CA . 18416 1 260 . 1 1 24 24 HIS CB C 13 33 0 . . . . . A 24 HIS CB . 18416 1 261 . 1 1 24 24 HIS N N 15 123.934 0.158 . . . . . A 24 HIS N . 18416 1 262 . 1 1 25 25 SER H H 1 9.386 0.004 . . . . . A 25 SER H . 18416 1 263 . 1 1 25 25 SER HA H 1 3.692 0.001 . . . . . A 25 SER HA . 18416 1 264 . 1 1 25 25 SER HB2 H 1 3.91 0.004 . . . . . A 25 SER HB2 . 18416 1 265 . 1 1 25 25 SER HB3 H 1 3.447 0.003 . . . . . A 25 SER HB3 . 18416 1 266 . 1 1 25 25 SER C C 13 174.189 0 . . . . . A 25 SER C . 18416 1 267 . 1 1 25 25 SER CA C 13 59.295 0.039 . . . . . A 25 SER CA . 18416 1 268 . 1 1 25 25 SER CB C 13 61.066 0.084 . . . . . A 25 SER CB . 18416 1 269 . 1 1 25 25 SER N N 15 124.015 0.034 . . . . . A 25 SER N . 18416 1 270 . 1 1 26 26 ASN H H 1 8.425 0.006 . . . . . A 26 ASN H . 18416 1 271 . 1 1 26 26 ASN HA H 1 4.55 0 . . . . . A 26 ASN HA . 18416 1 272 . 1 1 26 26 ASN HB2 H 1 2.839 0 . . . . . A 26 ASN HB2 . 18416 1 273 . 1 1 26 26 ASN HB3 H 1 2.765 0 . . . . . A 26 ASN HB3 . 18416 1 274 . 1 1 26 26 ASN HD21 H 1 7.5 0 . . . . . A 26 ASN HD21 . 18416 1 275 . 1 1 26 26 ASN HD22 H 1 6.82 0 . . . . . A 26 ASN HD22 . 18416 1 276 . 1 1 26 26 ASN CA C 13 54.16 0.05 . . . . . A 26 ASN CA . 18416 1 277 . 1 1 26 26 ASN CB C 13 38.496 0 . . . . . A 26 ASN CB . 18416 1 278 . 1 1 26 26 ASN N N 15 118.603 0.096 . . . . . A 26 ASN N . 18416 1 279 . 1 1 26 26 ASN ND2 N 15 113.725 0 . . . . . A 26 ASN ND2 . 18416 1 280 . 1 1 27 27 GLU HA H 1 4.347 0.006 . . . . . A 27 GLU HA . 18416 1 281 . 1 1 27 27 GLU HB2 H 1 2.146 0.003 . . . . . A 27 GLU HB2 . 18416 1 282 . 1 1 27 27 GLU HB3 H 1 1.764 0.002 . . . . . A 27 GLU HB3 . 18416 1 283 . 1 1 27 27 GLU HG2 H 1 2.188 0.002 . . . . . A 27 GLU HG2 . 18416 1 284 . 1 1 27 27 GLU HG3 H 1 2.188 0.002 . . . . . A 27 GLU HG3 . 18416 1 285 . 1 1 27 27 GLU C C 13 174.793 0 . . . . . A 27 GLU C . 18416 1 286 . 1 1 27 27 GLU CA C 13 55.489 0.013 . . . . . A 27 GLU CA . 18416 1 287 . 1 1 27 27 GLU CB C 13 31.876 0 . . . . . A 27 GLU CB . 18416 1 288 . 1 1 27 27 GLU CG C 13 35.73 0 . . . . . A 27 GLU CG . 18416 1 289 . 1 1 28 28 ARG H H 1 8.137 0.003 . . . . . A 28 ARG H . 18416 1 290 . 1 1 28 28 ARG HA H 1 4.813 0.003 . . . . . A 28 ARG HA . 18416 1 291 . 1 1 28 28 ARG HB2 H 1 1.432 0.002 . . . . . A 28 ARG HB2 . 18416 1 292 . 1 1 28 28 ARG HB3 H 1 1.432 0.002 . . . . . A 28 ARG HB3 . 18416 1 293 . 1 1 28 28 ARG HG2 H 1 1.198 0 . . . . . A 28 ARG HG2 . 18416 1 294 . 1 1 28 28 ARG HG3 H 1 1.198 0 . . . . . A 28 ARG HG3 . 18416 1 295 . 1 1 28 28 ARG HD2 H 1 2.902 0 . . . . . A 28 ARG HD2 . 18416 1 296 . 1 1 28 28 ARG HD3 H 1 2.902 0 . . . . . A 28 ARG HD3 . 18416 1 297 . 1 1 28 28 ARG C C 13 175.598 0 . . . . . A 28 ARG C . 18416 1 298 . 1 1 28 28 ARG CA C 13 54.858 0.01 . . . . . A 28 ARG CA . 18416 1 299 . 1 1 28 28 ARG CB C 13 32.817 0 . . . . . A 28 ARG CB . 18416 1 300 . 1 1 28 28 ARG CG C 13 27.213 0 . . . . . A 28 ARG CG . 18416 1 301 . 1 1 28 28 ARG CD C 13 43.434 0 . . . . . A 28 ARG CD . 18416 1 302 . 1 1 28 28 ARG N N 15 122.85 0.074 . . . . . A 28 ARG N . 18416 1 303 . 1 1 29 29 TYR H H 1 9.199 0.012 . . . . . A 29 TYR H . 18416 1 304 . 1 1 29 29 TYR HA H 1 4.478 0.001 . . . . . A 29 TYR HA . 18416 1 305 . 1 1 29 29 TYR HB2 H 1 2.601 0.001 . . . . . A 29 TYR HB2 . 18416 1 306 . 1 1 29 29 TYR HB3 H 1 2.601 0.001 . . . . . A 29 TYR HB3 . 18416 1 307 . 1 1 29 29 TYR HD1 H 1 6.937 0 . . . . . A 29 TYR HD1 . 18416 1 308 . 1 1 29 29 TYR HD2 H 1 6.937 0 . . . . . A 29 TYR HD2 . 18416 1 309 . 1 1 29 29 TYR HE1 H 1 6.661 0 . . . . . A 29 TYR HE1 . 18416 1 310 . 1 1 29 29 TYR HE2 H 1 6.661 0 . . . . . A 29 TYR HE2 . 18416 1 311 . 1 1 29 29 TYR HH H 1 9.225 0 . . . . . A 29 TYR HH . 18416 1 312 . 1 1 29 29 TYR C C 13 173.509 0 . . . . . A 29 TYR C . 18416 1 313 . 1 1 29 29 TYR CA C 13 56.778 0.024 . . . . . A 29 TYR CA . 18416 1 314 . 1 1 29 29 TYR CB C 13 39.829 0 . . . . . A 29 TYR CB . 18416 1 315 . 1 1 29 29 TYR N N 15 124.587 0.1 . . . . . A 29 TYR N . 18416 1 316 . 1 1 30 30 ASP H H 1 8.523 0.005 . . . . . A 30 ASP H . 18416 1 317 . 1 1 30 30 ASP HA H 1 4.873 0 . . . . . A 30 ASP HA . 18416 1 318 . 1 1 30 30 ASP HB2 H 1 2.412 0.001 . . . . . A 30 ASP HB2 . 18416 1 319 . 1 1 30 30 ASP HB3 H 1 2.412 0.001 . . . . . A 30 ASP HB3 . 18416 1 320 . 1 1 30 30 ASP C C 13 174.903 0 . . . . . A 30 ASP C . 18416 1 321 . 1 1 30 30 ASP CA C 13 53.763 0.058 . . . . . A 30 ASP CA . 18416 1 322 . 1 1 30 30 ASP CB C 13 40.709 0 . . . . . A 30 ASP CB . 18416 1 323 . 1 1 30 30 ASP N N 15 125.053 0.026 . . . . . A 30 ASP N . 18416 1 324 . 1 1 31 31 LEU H H 1 8.693 0.005 . . . . . A 31 LEU H . 18416 1 325 . 1 1 31 31 LEU HA H 1 4.585 0.006 . . . . . A 31 LEU HA . 18416 1 326 . 1 1 31 31 LEU HB2 H 1 1.563 0.002 . . . . . A 31 LEU HB2 . 18416 1 327 . 1 1 31 31 LEU HB3 H 1 1.072 0 . . . . . A 31 LEU HB3 . 18416 1 328 . 1 1 31 31 LEU HG H 1 0.471 0 . . . . . A 31 LEU HG . 18416 1 329 . 1 1 31 31 LEU HD11 H 1 0.635 0 . . . . . A 31 LEU HD11 . 18416 1 330 . 1 1 31 31 LEU HD12 H 1 0.635 0 . . . . . A 31 LEU HD12 . 18416 1 331 . 1 1 31 31 LEU HD13 H 1 0.635 0 . . . . . A 31 LEU HD13 . 18416 1 332 . 1 1 31 31 LEU HD21 H 1 0.635 0 . . . . . A 31 LEU HD21 . 18416 1 333 . 1 1 31 31 LEU HD22 H 1 0.635 0 . . . . . A 31 LEU HD22 . 18416 1 334 . 1 1 31 31 LEU HD23 H 1 0.635 0 . . . . . A 31 LEU HD23 . 18416 1 335 . 1 1 31 31 LEU C C 13 175.076 0 . . . . . A 31 LEU C . 18416 1 336 . 1 1 31 31 LEU CA C 13 53.564 0.071 . . . . . A 31 LEU CA . 18416 1 337 . 1 1 31 31 LEU CB C 13 44.202 0 . . . . . A 31 LEU CB . 18416 1 338 . 1 1 31 31 LEU CG C 13 26.38 0 . . . . . A 31 LEU CG . 18416 1 339 . 1 1 31 31 LEU CD1 C 13 23.441 0 . . . . . A 31 LEU CD1 . 18416 1 340 . 1 1 31 31 LEU CD2 C 13 23.441 0 . . . . . A 31 LEU CD2 . 18416 1 341 . 1 1 31 31 LEU N N 15 124.495 0.03 . . . . . A 31 LEU N . 18416 1 342 . 1 1 32 32 LEU H H 1 8.284 0.003 . . . . . A 32 LEU H . 18416 1 343 . 1 1 32 32 LEU HA H 1 4.662 0.004 . . . . . A 32 LEU HA . 18416 1 344 . 1 1 32 32 LEU HB2 H 1 1.477 0.006 . . . . . A 32 LEU HB2 . 18416 1 345 . 1 1 32 32 LEU HB3 H 1 1.284 0.004 . . . . . A 32 LEU HB3 . 18416 1 346 . 1 1 32 32 LEU HG H 1 1.197 0 . . . . . A 32 LEU HG . 18416 1 347 . 1 1 32 32 LEU HD11 H 1 0.645 0 . . . . . A 32 LEU HD11 . 18416 1 348 . 1 1 32 32 LEU HD12 H 1 0.645 0 . . . . . A 32 LEU HD12 . 18416 1 349 . 1 1 32 32 LEU HD13 H 1 0.645 0 . . . . . A 32 LEU HD13 . 18416 1 350 . 1 1 32 32 LEU HD21 H 1 0.645 0 . . . . . A 32 LEU HD21 . 18416 1 351 . 1 1 32 32 LEU HD22 H 1 0.645 0 . . . . . A 32 LEU HD22 . 18416 1 352 . 1 1 32 32 LEU HD23 H 1 0.645 0 . . . . . A 32 LEU HD23 . 18416 1 353 . 1 1 32 32 LEU C C 13 174.764 0 . . . . . A 32 LEU C . 18416 1 354 . 1 1 32 32 LEU CA C 13 53.412 0.054 . . . . . A 32 LEU CA . 18416 1 355 . 1 1 32 32 LEU CB C 13 42.304 0 . . . . . A 32 LEU CB . 18416 1 356 . 1 1 32 32 LEU CG C 13 27.046 0 . . . . . A 32 LEU CG . 18416 1 357 . 1 1 32 32 LEU CD1 C 13 24.737 0 . . . . . A 32 LEU CD1 . 18416 1 358 . 1 1 32 32 LEU CD2 C 13 24.066 0 . . . . . A 32 LEU CD2 . 18416 1 359 . 1 1 32 32 LEU N N 15 125.239 0.043 . . . . . A 32 LEU N . 18416 1 360 . 1 1 33 33 VAL H H 1 9.163 0.004 . . . . . A 33 VAL H . 18416 1 361 . 1 1 33 33 VAL HA H 1 3.79 0.007 . . . . . A 33 VAL HA . 18416 1 362 . 1 1 33 33 VAL HB H 1 1.894 0.002 . . . . . A 33 VAL HB . 18416 1 363 . 1 1 33 33 VAL HG11 H 1 0.662 0 . . . . . A 33 VAL HG11 . 18416 1 364 . 1 1 33 33 VAL HG12 H 1 0.662 0 . . . . . A 33 VAL HG12 . 18416 1 365 . 1 1 33 33 VAL HG13 H 1 0.662 0 . . . . . A 33 VAL HG13 . 18416 1 366 . 1 1 33 33 VAL HG21 H 1 0.662 0 . . . . . A 33 VAL HG21 . 18416 1 367 . 1 1 33 33 VAL HG22 H 1 0.662 0 . . . . . A 33 VAL HG22 . 18416 1 368 . 1 1 33 33 VAL HG23 H 1 0.662 0 . . . . . A 33 VAL HG23 . 18416 1 369 . 1 1 33 33 VAL C C 13 174.897 0 . . . . . A 33 VAL C . 18416 1 370 . 1 1 33 33 VAL CA C 13 62.535 0.069 . . . . . A 33 VAL CA . 18416 1 371 . 1 1 33 33 VAL CB C 13 31.986 0.142 . . . . . A 33 VAL CB . 18416 1 372 . 1 1 33 33 VAL CG1 C 13 22.723 0 . . . . . A 33 VAL CG1 . 18416 1 373 . 1 1 33 33 VAL CG2 C 13 21.725 0 . . . . . A 33 VAL CG2 . 18416 1 374 . 1 1 33 33 VAL N N 15 125.983 0.056 . . . . . A 33 VAL N . 18416 1 375 . 1 1 34 34 THR H H 1 7.453 0.002 . . . . . A 34 THR H . 18416 1 376 . 1 1 34 34 THR HA H 1 4.741 0 . . . . . A 34 THR HA . 18416 1 377 . 1 1 34 34 THR HB H 1 4.068 0 . . . . . A 34 THR HB . 18416 1 378 . 1 1 34 34 THR HG21 H 1 0.965 0 . . . . . A 34 THR HG21 . 18416 1 379 . 1 1 34 34 THR HG22 H 1 0.965 0 . . . . . A 34 THR HG22 . 18416 1 380 . 1 1 34 34 THR HG23 H 1 0.965 0 . . . . . A 34 THR HG23 . 18416 1 381 . 1 1 34 34 THR CA C 13 57.998 0.01 . . . . . A 34 THR CA . 18416 1 382 . 1 1 34 34 THR CB C 13 69.742 0 . . . . . A 34 THR CB . 18416 1 383 . 1 1 34 34 THR N N 15 118.255 0.029 . . . . . A 34 THR N . 18416 1 384 . 1 1 35 35 PRO HA H 1 4.423 0.002 . . . . . A 35 PRO HA . 18416 1 385 . 1 1 35 35 PRO HB2 H 1 1.793 0.015 . . . . . A 35 PRO HB2 . 18416 1 386 . 1 1 35 35 PRO HB3 H 1 1.632 0.003 . . . . . A 35 PRO HB3 . 18416 1 387 . 1 1 35 35 PRO HG2 H 1 1.364 0 . . . . . A 35 PRO HG2 . 18416 1 388 . 1 1 35 35 PRO HG3 H 1 1.364 0 . . . . . A 35 PRO HG3 . 18416 1 389 . 1 1 35 35 PRO HD2 H 1 3.533 0 . . . . . A 35 PRO HD2 . 18416 1 390 . 1 1 35 35 PRO HD3 H 1 3.533 0 . . . . . A 35 PRO HD3 . 18416 1 391 . 1 1 35 35 PRO C C 13 177.564 0 . . . . . A 35 PRO C . 18416 1 392 . 1 1 35 35 PRO CA C 13 62.091 0.029 . . . . . A 35 PRO CA . 18416 1 393 . 1 1 35 35 PRO CB C 13 31.905 0 . . . . . A 35 PRO CB . 18416 1 394 . 1 1 35 35 PRO CG C 13 27.573 0 . . . . . A 35 PRO CG . 18416 1 395 . 1 1 35 35 PRO CD C 13 50.55 0 . . . . . A 35 PRO CD . 18416 1 396 . 1 1 36 36 GLN H H 1 8.65 0.003 . . . . . A 36 GLN H . 18416 1 397 . 1 1 36 36 GLN HA H 1 4.14 0 . . . . . A 36 GLN HA . 18416 1 398 . 1 1 36 36 GLN HB2 H 1 2.074 0.002 . . . . . A 36 GLN HB2 . 18416 1 399 . 1 1 36 36 GLN HB3 H 1 1.898 0.003 . . . . . A 36 GLN HB3 . 18416 1 400 . 1 1 36 36 GLN HG2 H 1 2.353 0 . . . . . A 36 GLN HG2 . 18416 1 401 . 1 1 36 36 GLN HG3 H 1 2.353 0 . . . . . A 36 GLN HG3 . 18416 1 402 . 1 1 36 36 GLN HE21 H 1 7.57 0 . . . . . A 36 GLN HE21 . 18416 1 403 . 1 1 36 36 GLN HE22 H 1 6.68 0 . . . . . A 36 GLN HE22 . 18416 1 404 . 1 1 36 36 GLN C C 13 176.28 0 . . . . . A 36 GLN C . 18416 1 405 . 1 1 36 36 GLN CA C 13 55.575 0.016 . . . . . A 36 GLN CA . 18416 1 406 . 1 1 36 36 GLN CB C 13 29.903 0 . . . . . A 36 GLN CB . 18416 1 407 . 1 1 36 36 GLN CG C 13 33.649 0 . . . . . A 36 GLN CG . 18416 1 408 . 1 1 36 36 GLN N N 15 122.588 0.032 . . . . . A 36 GLN N . 18416 1 409 . 1 1 36 36 GLN NE2 N 15 114.27 0 . . . . . A 36 GLN NE2 . 18416 1 410 . 1 1 37 37 GLN H H 1 8.414 0.003 . . . . . A 37 GLN H . 18416 1 411 . 1 1 37 37 GLN HA H 1 4.152 0.002 . . . . . A 37 GLN HA . 18416 1 412 . 1 1 37 37 GLN HB2 H 1 2.022 0.01 . . . . . A 37 GLN HB2 . 18416 1 413 . 1 1 37 37 GLN HB3 H 1 1.878 0.02 . . . . . A 37 GLN HB3 . 18416 1 414 . 1 1 37 37 GLN HG2 H 1 2.227 0 . . . . . A 37 GLN HG2 . 18416 1 415 . 1 1 37 37 GLN HG3 H 1 2.227 0 . . . . . A 37 GLN HG3 . 18416 1 416 . 1 1 37 37 GLN HE21 H 1 7.497 0 . . . . . A 37 GLN HE21 . 18416 1 417 . 1 1 37 37 GLN HE22 H 1 6.703 0 . . . . . A 37 GLN HE22 . 18416 1 418 . 1 1 37 37 GLN C C 13 176.509 0 . . . . . A 37 GLN C . 18416 1 419 . 1 1 37 37 GLN CA C 13 56.23 0.016 . . . . . A 37 GLN CA . 18416 1 420 . 1 1 37 37 GLN CB C 13 28.377 0 . . . . . A 37 GLN CB . 18416 1 421 . 1 1 37 37 GLN CG C 13 33.314 0 . . . . . A 37 GLN CG . 18416 1 422 . 1 1 37 37 GLN N N 15 119.286 0.045 . . . . . A 37 GLN N . 18416 1 423 . 1 1 37 37 GLN NE2 N 15 112.329 0 . . . . . A 37 GLN NE2 . 18416 1 424 . 1 1 38 38 GLY H H 1 8.497 0.003 . . . . . A 38 GLY H . 18416 1 425 . 1 1 38 38 GLY HA2 H 1 4.037 0.002 . . . . . A 38 GLY HA2 . 18416 1 426 . 1 1 38 38 GLY HA3 H 1 3.545 0.003 . . . . . A 38 GLY HA3 . 18416 1 427 . 1 1 38 38 GLY C C 13 173.68 0 . . . . . A 38 GLY C . 18416 1 428 . 1 1 38 38 GLY CA C 13 45.265 0.084 . . . . . A 38 GLY CA . 18416 1 429 . 1 1 38 38 GLY N N 15 111.075 0.042 . . . . . A 38 GLY N . 18416 1 430 . 1 1 39 39 ASN H H 1 8.186 0.003 . . . . . A 39 ASN H . 18416 1 431 . 1 1 39 39 ASN HA H 1 4.809 0.004 . . . . . A 39 ASN HA . 18416 1 432 . 1 1 39 39 ASN HB2 H 1 2.811 0 . . . . . A 39 ASN HB2 . 18416 1 433 . 1 1 39 39 ASN HB3 H 1 2.811 0 . . . . . A 39 ASN HB3 . 18416 1 434 . 1 1 39 39 ASN HD21 H 1 7.664 0 . . . . . A 39 ASN HD21 . 18416 1 435 . 1 1 39 39 ASN HD22 H 1 7.153 0 . . . . . A 39 ASN HD22 . 18416 1 436 . 1 1 39 39 ASN C C 13 175.078 0 . . . . . A 39 ASN C . 18416 1 437 . 1 1 39 39 ASN CA C 13 52.091 0.07 . . . . . A 39 ASN CA . 18416 1 438 . 1 1 39 39 ASN CB C 13 38.882 0 . . . . . A 39 ASN CB . 18416 1 439 . 1 1 39 39 ASN N N 15 117.987 0.037 . . . . . A 39 ASN N . 18416 1 440 . 1 1 39 39 ASN ND2 N 15 113.894 0 . . . . . A 39 ASN ND2 . 18416 1 441 . 1 1 40 40 SER H H 1 8.476 0.003 . . . . . A 40 SER H . 18416 1 442 . 1 1 40 40 SER HA H 1 4.241 0.005 . . . . . A 40 SER HA . 18416 1 443 . 1 1 40 40 SER HB2 H 1 3.801 0.003 . . . . . A 40 SER HB2 . 18416 1 444 . 1 1 40 40 SER HB3 H 1 3.801 0.003 . . . . . A 40 SER HB3 . 18416 1 445 . 1 1 40 40 SER C C 13 173.527 0 . . . . . A 40 SER C . 18416 1 446 . 1 1 40 40 SER CA C 13 59.446 0.091 . . . . . A 40 SER CA . 18416 1 447 . 1 1 40 40 SER CB C 13 63.713 0.061 . . . . . A 40 SER CB . 18416 1 448 . 1 1 40 40 SER N N 15 114.477 0.039 . . . . . A 40 SER N . 18416 1 449 . 1 1 41 41 GLU H H 1 7.513 0.002 . . . . . A 41 GLU H . 18416 1 450 . 1 1 41 41 GLU CA C 13 53.618 0.01 . . . . . A 41 GLU CA . 18416 1 451 . 1 1 41 41 GLU CB C 13 30.511 0 . . . . . A 41 GLU CB . 18416 1 452 . 1 1 41 41 GLU N N 15 115.94 0.016 . . . . . A 41 GLU N . 18416 1 453 . 1 1 42 42 PRO HA H 1 4.637 0.006 . . . . . A 42 PRO HA . 18416 1 454 . 1 1 42 42 PRO HB2 H 1 1.593 0.012 . . . . . A 42 PRO HB2 . 18416 1 455 . 1 1 42 42 PRO HB3 H 1 1.593 0.012 . . . . . A 42 PRO HB3 . 18416 1 456 . 1 1 42 42 PRO HG2 H 1 1.758 0 . . . . . A 42 PRO HG2 . 18416 1 457 . 1 1 42 42 PRO HG3 H 1 1.758 0 . . . . . A 42 PRO HG3 . 18416 1 458 . 1 1 42 42 PRO C C 13 176.652 0 . . . . . A 42 PRO C . 18416 1 459 . 1 1 42 42 PRO CA C 13 62.431 0.052 . . . . . A 42 PRO CA . 18416 1 460 . 1 1 42 42 PRO CB C 13 32.78 0 . . . . . A 42 PRO CB . 18416 1 461 . 1 1 42 42 PRO CG C 13 27.44 0 . . . . . A 42 PRO CG . 18416 1 462 . 1 1 42 42 PRO CD C 13 50.611 0 . . . . . A 42 PRO CD . 18416 1 463 . 1 1 43 43 VAL H H 1 9.756 0.005 . . . . . A 43 VAL H . 18416 1 464 . 1 1 43 43 VAL HA H 1 5.004 0.008 . . . . . A 43 VAL HA . 18416 1 465 . 1 1 43 43 VAL HB H 1 2.016 0.004 . . . . . A 43 VAL HB . 18416 1 466 . 1 1 43 43 VAL HG11 H 1 0.831 0 . . . . . A 43 VAL HG11 . 18416 1 467 . 1 1 43 43 VAL HG12 H 1 0.831 0 . . . . . A 43 VAL HG12 . 18416 1 468 . 1 1 43 43 VAL HG13 H 1 0.831 0 . . . . . A 43 VAL HG13 . 18416 1 469 . 1 1 43 43 VAL HG21 H 1 0.667 0 . . . . . A 43 VAL HG21 . 18416 1 470 . 1 1 43 43 VAL HG22 H 1 0.667 0 . . . . . A 43 VAL HG22 . 18416 1 471 . 1 1 43 43 VAL HG23 H 1 0.667 0 . . . . . A 43 VAL HG23 . 18416 1 472 . 1 1 43 43 VAL C C 13 177.462 0 . . . . . A 43 VAL C . 18416 1 473 . 1 1 43 43 VAL CA C 13 58.955 0.029 . . . . . A 43 VAL CA . 18416 1 474 . 1 1 43 43 VAL CB C 13 35.688 0 . . . . . A 43 VAL CB . 18416 1 475 . 1 1 43 43 VAL CG1 C 13 20.502 0 . . . . . A 43 VAL CG1 . 18416 1 476 . 1 1 43 43 VAL CG2 C 13 19.327 0 . . . . . A 43 VAL CG2 . 18416 1 477 . 1 1 43 43 VAL N N 15 118.727 0.014 . . . . . A 43 VAL N . 18416 1 478 . 1 1 44 44 VAL H H 1 7.912 0.002 . . . . . A 44 VAL H . 18416 1 479 . 1 1 44 44 VAL HA H 1 3.236 0.003 . . . . . A 44 VAL HA . 18416 1 480 . 1 1 44 44 VAL HB H 1 2.202 0.001 . . . . . A 44 VAL HB . 18416 1 481 . 1 1 44 44 VAL HG11 H 1 0.919 0 . . . . . A 44 VAL HG11 . 18416 1 482 . 1 1 44 44 VAL HG12 H 1 0.919 0 . . . . . A 44 VAL HG12 . 18416 1 483 . 1 1 44 44 VAL HG13 H 1 0.919 0 . . . . . A 44 VAL HG13 . 18416 1 484 . 1 1 44 44 VAL HG21 H 1 0.716 0 . . . . . A 44 VAL HG21 . 18416 1 485 . 1 1 44 44 VAL HG22 H 1 0.716 0 . . . . . A 44 VAL HG22 . 18416 1 486 . 1 1 44 44 VAL HG23 H 1 0.716 0 . . . . . A 44 VAL HG23 . 18416 1 487 . 1 1 44 44 VAL C C 13 177.728 0 . . . . . A 44 VAL C . 18416 1 488 . 1 1 44 44 VAL CA C 13 68.321 0.079 . . . . . A 44 VAL CA . 18416 1 489 . 1 1 44 44 VAL CB C 13 30.901 0 . . . . . A 44 VAL CB . 18416 1 490 . 1 1 44 44 VAL CG1 C 13 24.646 0 . . . . . A 44 VAL CG1 . 18416 1 491 . 1 1 44 44 VAL CG2 C 13 21.458 0 . . . . . A 44 VAL CG2 . 18416 1 492 . 1 1 44 44 VAL N N 15 123.191 0.075 . . . . . A 44 VAL N . 18416 1 493 . 1 1 45 45 GLN H H 1 9.095 0.005 . . . . . A 45 GLN H . 18416 1 494 . 1 1 45 45 GLN HA H 1 3.803 0.001 . . . . . A 45 GLN HA . 18416 1 495 . 1 1 45 45 GLN HB2 H 1 2.038 0.017 . . . . . A 45 GLN HB2 . 18416 1 496 . 1 1 45 45 GLN HB3 H 1 1.553 0.012 . . . . . A 45 GLN HB3 . 18416 1 497 . 1 1 45 45 GLN HG2 H 1 2.204 0 . . . . . A 45 GLN HG2 . 18416 1 498 . 1 1 45 45 GLN HG3 H 1 2.204 0 . . . . . A 45 GLN HG3 . 18416 1 499 . 1 1 45 45 GLN HE21 H 1 7.267 0 . . . . . A 45 GLN HE21 . 18416 1 500 . 1 1 45 45 GLN HE22 H 1 6.362 0 . . . . . A 45 GLN HE22 . 18416 1 501 . 1 1 45 45 GLN C C 13 177.239 0 . . . . . A 45 GLN C . 18416 1 502 . 1 1 45 45 GLN CA C 13 59.551 0.014 . . . . . A 45 GLN CA . 18416 1 503 . 1 1 45 45 GLN CB C 13 28.771 0 . . . . . A 45 GLN CB . 18416 1 504 . 1 1 45 45 GLN CG C 13 33.043 0 . . . . . A 45 GLN CG . 18416 1 505 . 1 1 45 45 GLN N N 15 118.831 0.049 . . . . . A 45 GLN N . 18416 1 506 . 1 1 45 45 GLN NE2 N 15 110.554 0 . . . . . A 45 GLN NE2 . 18416 1 507 . 1 1 46 46 ASP H H 1 7.172 0.002 . . . . . A 46 ASP H . 18416 1 508 . 1 1 46 46 ASP HA H 1 4.25 0.001 . . . . . A 46 ASP HA . 18416 1 509 . 1 1 46 46 ASP HB2 H 1 2.676 0.001 . . . . . A 46 ASP HB2 . 18416 1 510 . 1 1 46 46 ASP HB3 H 1 2.601 0 . . . . . A 46 ASP HB3 . 18416 1 511 . 1 1 46 46 ASP C C 13 178.938 0 . . . . . A 46 ASP C . 18416 1 512 . 1 1 46 46 ASP CA C 13 57.758 0.077 . . . . . A 46 ASP CA . 18416 1 513 . 1 1 46 46 ASP CB C 13 41.714 0 . . . . . A 46 ASP CB . 18416 1 514 . 1 1 46 46 ASP N N 15 116.059 0.047 . . . . . A 46 ASP N . 18416 1 515 . 1 1 47 47 LEU H H 1 6.941 0.003 . . . . . A 47 LEU H . 18416 1 516 . 1 1 47 47 LEU HA H 1 3.87 0.002 . . . . . A 47 LEU HA . 18416 1 517 . 1 1 47 47 LEU HB2 H 1 2.125 0.001 . . . . . A 47 LEU HB2 . 18416 1 518 . 1 1 47 47 LEU HB3 H 1 1.115 0.002 . . . . . A 47 LEU HB3 . 18416 1 519 . 1 1 47 47 LEU HD11 H 1 0.585 0 . . . . . A 47 LEU HD11 . 18416 1 520 . 1 1 47 47 LEU HD12 H 1 0.585 0 . . . . . A 47 LEU HD12 . 18416 1 521 . 1 1 47 47 LEU HD13 H 1 0.585 0 . . . . . A 47 LEU HD13 . 18416 1 522 . 1 1 47 47 LEU HD21 H 1 0.585 0 . . . . . A 47 LEU HD21 . 18416 1 523 . 1 1 47 47 LEU HD22 H 1 0.585 0 . . . . . A 47 LEU HD22 . 18416 1 524 . 1 1 47 47 LEU HD23 H 1 0.585 0 . . . . . A 47 LEU HD23 . 18416 1 525 . 1 1 47 47 LEU C C 13 176.625 0 . . . . . A 47 LEU C . 18416 1 526 . 1 1 47 47 LEU CA C 13 57.616 0.033 . . . . . A 47 LEU CA . 18416 1 527 . 1 1 47 47 LEU CB C 13 41.897 0 . . . . . A 47 LEU CB . 18416 1 528 . 1 1 47 47 LEU CG C 13 26.725 0 . . . . . A 47 LEU CG . 18416 1 529 . 1 1 47 47 LEU CD1 C 13 23.507 0 . . . . . A 47 LEU CD1 . 18416 1 530 . 1 1 47 47 LEU CD2 C 13 23.507 0 . . . . . A 47 LEU CD2 . 18416 1 531 . 1 1 47 47 LEU N N 15 119.582 0.023 . . . . . A 47 LEU N . 18416 1 532 . 1 1 48 48 ALA H H 1 8.903 0.004 . . . . . A 48 ALA H . 18416 1 533 . 1 1 48 48 ALA HA H 1 3.915 0.01 . . . . . A 48 ALA HA . 18416 1 534 . 1 1 48 48 ALA HB1 H 1 1.239 0.002 . . . . . A 48 ALA HB1 . 18416 1 535 . 1 1 48 48 ALA HB2 H 1 1.239 0.002 . . . . . A 48 ALA HB2 . 18416 1 536 . 1 1 48 48 ALA HB3 H 1 1.239 0.002 . . . . . A 48 ALA HB3 . 18416 1 537 . 1 1 48 48 ALA C C 13 180.399 0 . . . . . A 48 ALA C . 18416 1 538 . 1 1 48 48 ALA CA C 13 55.336 0.055 . . . . . A 48 ALA CA . 18416 1 539 . 1 1 48 48 ALA CB C 13 18.465 0 . . . . . A 48 ALA CB . 18416 1 540 . 1 1 48 48 ALA N N 15 121.655 0.025 . . . . . A 48 ALA N . 18416 1 541 . 1 1 49 49 GLN H H 1 8.365 0.005 . . . . . A 49 GLN H . 18416 1 542 . 1 1 49 49 GLN HA H 1 3.907 0.004 . . . . . A 49 GLN HA . 18416 1 543 . 1 1 49 49 GLN HB2 H 1 2.13 0.001 . . . . . A 49 GLN HB2 . 18416 1 544 . 1 1 49 49 GLN HB3 H 1 2.018 0 . . . . . A 49 GLN HB3 . 18416 1 545 . 1 1 49 49 GLN HG2 H 1 2.43 0 . . . . . A 49 GLN HG2 . 18416 1 546 . 1 1 49 49 GLN HG3 H 1 2.333 0 . . . . . A 49 GLN HG3 . 18416 1 547 . 1 1 49 49 GLN HE21 H 1 7.43 0 . . . . . A 49 GLN HE21 . 18416 1 548 . 1 1 49 49 GLN HE22 H 1 6.702 0 . . . . . A 49 GLN HE22 . 18416 1 549 . 1 1 49 49 GLN C C 13 178.674 0 . . . . . A 49 GLN C . 18416 1 550 . 1 1 49 49 GLN CA C 13 59.251 0.026 . . . . . A 49 GLN CA . 18416 1 551 . 1 1 49 49 GLN CB C 13 28.287 0 . . . . . A 49 GLN CB . 18416 1 552 . 1 1 49 49 GLN CG C 13 34.265 0 . . . . . A 49 GLN CG . 18416 1 553 . 1 1 49 49 GLN N N 15 118.193 0.017 . . . . . A 49 GLN N . 18416 1 554 . 1 1 49 49 GLN NE2 N 15 111.56 0 . . . . . A 49 GLN NE2 . 18416 1 555 . 1 1 50 50 LEU H H 1 7.378 0.003 . . . . . A 50 LEU H . 18416 1 556 . 1 1 50 50 LEU HA H 1 4.088 0.003 . . . . . A 50 LEU HA . 18416 1 557 . 1 1 50 50 LEU HB2 H 1 1.793 0.001 . . . . . A 50 LEU HB2 . 18416 1 558 . 1 1 50 50 LEU HB3 H 1 1.488 0.006 . . . . . A 50 LEU HB3 . 18416 1 559 . 1 1 50 50 LEU HG H 1 0.951 0 . . . . . A 50 LEU HG . 18416 1 560 . 1 1 50 50 LEU HD11 H 1 0.9 0 . . . . . A 50 LEU HD11 . 18416 1 561 . 1 1 50 50 LEU HD12 H 1 0.9 0 . . . . . A 50 LEU HD12 . 18416 1 562 . 1 1 50 50 LEU HD13 H 1 0.9 0 . . . . . A 50 LEU HD13 . 18416 1 563 . 1 1 50 50 LEU HD21 H 1 0.9 0 . . . . . A 50 LEU HD21 . 18416 1 564 . 1 1 50 50 LEU HD22 H 1 0.9 0 . . . . . A 50 LEU HD22 . 18416 1 565 . 1 1 50 50 LEU HD23 H 1 0.9 0 . . . . . A 50 LEU HD23 . 18416 1 566 . 1 1 50 50 LEU C C 13 179.866 0 . . . . . A 50 LEU C . 18416 1 567 . 1 1 50 50 LEU CA C 13 57.568 0.022 . . . . . A 50 LEU CA . 18416 1 568 . 1 1 50 50 LEU CB C 13 42.041 0 . . . . . A 50 LEU CB . 18416 1 569 . 1 1 50 50 LEU CG C 13 26.378 0 . . . . . A 50 LEU CG . 18416 1 570 . 1 1 50 50 LEU CD1 C 13 24.183 0 . . . . . A 50 LEU CD1 . 18416 1 571 . 1 1 50 50 LEU CD2 C 13 24.183 0 . . . . . A 50 LEU CD2 . 18416 1 572 . 1 1 50 50 LEU N N 15 120.819 0.023 . . . . . A 50 LEU N . 18416 1 573 . 1 1 51 51 VAL H H 1 8.732 0.004 . . . . . A 51 VAL H . 18416 1 574 . 1 1 51 51 VAL HA H 1 3.137 0 . . . . . A 51 VAL HA . 18416 1 575 . 1 1 51 51 VAL HB H 1 2.186 0 . . . . . A 51 VAL HB . 18416 1 576 . 1 1 51 51 VAL HG11 H 1 0.704 0 . . . . . A 51 VAL HG11 . 18416 1 577 . 1 1 51 51 VAL HG12 H 1 0.704 0 . . . . . A 51 VAL HG12 . 18416 1 578 . 1 1 51 51 VAL HG13 H 1 0.704 0 . . . . . A 51 VAL HG13 . 18416 1 579 . 1 1 51 51 VAL HG21 H 1 0.544 0 . . . . . A 51 VAL HG21 . 18416 1 580 . 1 1 51 51 VAL HG22 H 1 0.544 0 . . . . . A 51 VAL HG22 . 18416 1 581 . 1 1 51 51 VAL HG23 H 1 0.544 0 . . . . . A 51 VAL HG23 . 18416 1 582 . 1 1 51 51 VAL C C 13 179.309 0 . . . . . A 51 VAL C . 18416 1 583 . 1 1 51 51 VAL CA C 13 66.796 0.018 . . . . . A 51 VAL CA . 18416 1 584 . 1 1 51 51 VAL CB C 13 30.783 0 . . . . . A 51 VAL CB . 18416 1 585 . 1 1 51 51 VAL CG1 C 13 25.329 0 . . . . . A 51 VAL CG1 . 18416 1 586 . 1 1 51 51 VAL CG2 C 13 24.092 0 . . . . . A 51 VAL CG2 . 18416 1 587 . 1 1 51 51 VAL N N 15 120.307 0.027 . . . . . A 51 VAL N . 18416 1 588 . 1 1 52 52 GLU H H 1 8.238 0.003 . . . . . A 52 GLU H . 18416 1 589 . 1 1 52 52 GLU HA H 1 3.749 0.001 . . . . . A 52 GLU HA . 18416 1 590 . 1 1 52 52 GLU HB2 H 1 2.083 0.003 . . . . . A 52 GLU HB2 . 18416 1 591 . 1 1 52 52 GLU HB3 H 1 1.734 0.002 . . . . . A 52 GLU HB3 . 18416 1 592 . 1 1 52 52 GLU HG2 H 1 1.792 0 . . . . . A 52 GLU HG2 . 18416 1 593 . 1 1 52 52 GLU HG3 H 1 1.792 0 . . . . . A 52 GLU HG3 . 18416 1 594 . 1 1 52 52 GLU C C 13 178.495 0 . . . . . A 52 GLU C . 18416 1 595 . 1 1 52 52 GLU CA C 13 59.521 0.008 . . . . . A 52 GLU CA . 18416 1 596 . 1 1 52 52 GLU CB C 13 28.779 0 . . . . . A 52 GLU CB . 18416 1 597 . 1 1 52 52 GLU CG C 13 36.089 0 . . . . . A 52 GLU CG . 18416 1 598 . 1 1 52 52 GLU N N 15 126.488 0.089 . . . . . A 52 GLU N . 18416 1 599 . 1 1 53 53 GLU H H 1 7.445 0.005 . . . . . A 53 GLU H . 18416 1 600 . 1 1 53 53 GLU HA H 1 3.781 0.017 . . . . . A 53 GLU HA . 18416 1 601 . 1 1 53 53 GLU HB2 H 1 1.985 0.004 . . . . . A 53 GLU HB2 . 18416 1 602 . 1 1 53 53 GLU HB3 H 1 1.985 0.004 . . . . . A 53 GLU HB3 . 18416 1 603 . 1 1 53 53 GLU HG2 H 1 2.298 0 . . . . . A 53 GLU HG2 . 18416 1 604 . 1 1 53 53 GLU HG3 H 1 2.121 0 . . . . . A 53 GLU HG3 . 18416 1 605 . 1 1 53 53 GLU C C 13 177.883 0 . . . . . A 53 GLU C . 18416 1 606 . 1 1 53 53 GLU CA C 13 59.102 0.025 . . . . . A 53 GLU CA . 18416 1 607 . 1 1 53 53 GLU CB C 13 29.454 0 . . . . . A 53 GLU CB . 18416 1 608 . 1 1 53 53 GLU CG C 13 35.825 0 . . . . . A 53 GLU CG . 18416 1 609 . 1 1 53 53 GLU N N 15 119.393 0.04 . . . . . A 53 GLU N . 18416 1 610 . 1 1 54 54 ALA H H 1 7.957 0.005 . . . . . A 54 ALA H . 18416 1 611 . 1 1 54 54 ALA HA H 1 4.053 0.015 . . . . . A 54 ALA HA . 18416 1 612 . 1 1 54 54 ALA HB1 H 1 1.064 0.001 . . . . . A 54 ALA HB1 . 18416 1 613 . 1 1 54 54 ALA HB2 H 1 1.064 0.001 . . . . . A 54 ALA HB2 . 18416 1 614 . 1 1 54 54 ALA HB3 H 1 1.064 0.001 . . . . . A 54 ALA HB3 . 18416 1 615 . 1 1 54 54 ALA C C 13 178.674 0 . . . . . A 54 ALA C . 18416 1 616 . 1 1 54 54 ALA CA C 13 54.427 0.06 . . . . . A 54 ALA CA . 18416 1 617 . 1 1 54 54 ALA CB C 13 19.209 0 . . . . . A 54 ALA CB . 18416 1 618 . 1 1 54 54 ALA N N 15 118.178 0.039 . . . . . A 54 ALA N . 18416 1 619 . 1 1 55 55 THR H H 1 7.804 0.003 . . . . . A 55 THR H . 18416 1 620 . 1 1 55 55 THR HA H 1 4.047 0 . . . . . A 55 THR HA . 18416 1 621 . 1 1 55 55 THR HB H 1 3.688 0 . . . . . A 55 THR HB . 18416 1 622 . 1 1 55 55 THR HG21 H 1 0.235 0 . . . . . A 55 THR HG21 . 18416 1 623 . 1 1 55 55 THR HG22 H 1 0.235 0 . . . . . A 55 THR HG22 . 18416 1 624 . 1 1 55 55 THR HG23 H 1 0.235 0 . . . . . A 55 THR HG23 . 18416 1 625 . 1 1 55 55 THR C C 13 175.85 0 . . . . . A 55 THR C . 18416 1 626 . 1 1 55 55 THR CA C 13 62.176 0.08 . . . . . A 55 THR CA . 18416 1 627 . 1 1 55 55 THR CB C 13 72.326 0 . . . . . A 55 THR CB . 18416 1 628 . 1 1 55 55 THR CG2 C 13 20.094 0 . . . . . A 55 THR CG2 . 18416 1 629 . 1 1 55 55 THR N N 15 102.754 0.066 . . . . . A 55 THR N . 18416 1 630 . 1 1 56 56 GLY H H 1 7.742 0.004 . . . . . A 56 GLY H . 18416 1 631 . 1 1 56 56 GLY HA2 H 1 4.074 0.003 . . . . . A 56 GLY HA2 . 18416 1 632 . 1 1 56 56 GLY HA3 H 1 3.647 0.004 . . . . . A 56 GLY HA3 . 18416 1 633 . 1 1 56 56 GLY C C 13 173.86 0 . . . . . A 56 GLY C . 18416 1 634 . 1 1 56 56 GLY CA C 13 45.479 0.098 . . . . . A 56 GLY CA . 18416 1 635 . 1 1 56 56 GLY N N 15 110.662 0.044 . . . . . A 56 GLY N . 18416 1 636 . 1 1 57 57 VAL H H 1 7.575 0.003 . . . . . A 57 VAL H . 18416 1 637 . 1 1 57 57 VAL HA H 1 4.036 0 . . . . . A 57 VAL HA . 18416 1 638 . 1 1 57 57 VAL HB H 1 1.539 0 . . . . . A 57 VAL HB . 18416 1 639 . 1 1 57 57 VAL HG11 H 1 0.301 0 . . . . . A 57 VAL HG11 . 18416 1 640 . 1 1 57 57 VAL HG12 H 1 0.301 0 . . . . . A 57 VAL HG12 . 18416 1 641 . 1 1 57 57 VAL HG13 H 1 0.301 0 . . . . . A 57 VAL HG13 . 18416 1 642 . 1 1 57 57 VAL HG21 H 1 0.587 0 . . . . . A 57 VAL HG21 . 18416 1 643 . 1 1 57 57 VAL HG22 H 1 0.587 0 . . . . . A 57 VAL HG22 . 18416 1 644 . 1 1 57 57 VAL HG23 H 1 0.587 0 . . . . . A 57 VAL HG23 . 18416 1 645 . 1 1 57 57 VAL CA C 13 60.436 0.027 . . . . . A 57 VAL CA . 18416 1 646 . 1 1 57 57 VAL CB C 13 31.135 0 . . . . . A 57 VAL CB . 18416 1 647 . 1 1 57 57 VAL CG1 C 13 20.96 0 . . . . . A 57 VAL CG1 . 18416 1 648 . 1 1 57 57 VAL N N 15 123.345 0.033 . . . . . A 57 VAL N . 18416 1 649 . 1 1 58 58 PRO HA H 1 4.299 0.008 . . . . . A 58 PRO HA . 18416 1 650 . 1 1 58 58 PRO HB2 H 1 2.244 0 . . . . . A 58 PRO HB2 . 18416 1 651 . 1 1 58 58 PRO HB3 H 1 1.639 0.002 . . . . . A 58 PRO HB3 . 18416 1 652 . 1 1 58 58 PRO HG2 H 1 1.853 0 . . . . . A 58 PRO HG2 . 18416 1 653 . 1 1 58 58 PRO HG3 H 1 1.853 0 . . . . . A 58 PRO HG3 . 18416 1 654 . 1 1 58 58 PRO HD2 H 1 3.514 0 . . . . . A 58 PRO HD2 . 18416 1 655 . 1 1 58 58 PRO HD3 H 1 3.514 0 . . . . . A 58 PRO HD3 . 18416 1 656 . 1 1 58 58 PRO C C 13 177.591 0 . . . . . A 58 PRO C . 18416 1 657 . 1 1 58 58 PRO CA C 13 62.293 0.059 . . . . . A 58 PRO CA . 18416 1 658 . 1 1 58 58 PRO CB C 13 33.178 0 . . . . . A 58 PRO CB . 18416 1 659 . 1 1 58 58 PRO CG C 13 27.669 0 . . . . . A 58 PRO CG . 18416 1 660 . 1 1 58 58 PRO CD C 13 51.333 0 . . . . . A 58 PRO CD . 18416 1 661 . 1 1 59 59 LEU H H 1 8.512 0.004 . . . . . A 59 LEU H . 18416 1 662 . 1 1 59 59 LEU HA H 1 3.702 0 . . . . . A 59 LEU HA . 18416 1 663 . 1 1 59 59 LEU HB2 H 1 1.562 0 . . . . . A 59 LEU HB2 . 18416 1 664 . 1 1 59 59 LEU HB3 H 1 1.501 0 . . . . . A 59 LEU HB3 . 18416 1 665 . 1 1 59 59 LEU HD11 H 1 0.735 0 . . . . . A 59 LEU HD11 . 18416 1 666 . 1 1 59 59 LEU HD12 H 1 0.735 0 . . . . . A 59 LEU HD12 . 18416 1 667 . 1 1 59 59 LEU HD13 H 1 0.735 0 . . . . . A 59 LEU HD13 . 18416 1 668 . 1 1 59 59 LEU HD21 H 1 0.655 0 . . . . . A 59 LEU HD21 . 18416 1 669 . 1 1 59 59 LEU HD22 H 1 0.655 0 . . . . . A 59 LEU HD22 . 18416 1 670 . 1 1 59 59 LEU HD23 H 1 0.655 0 . . . . . A 59 LEU HD23 . 18416 1 671 . 1 1 59 59 LEU CA C 13 61.163 0.026 . . . . . A 59 LEU CA . 18416 1 672 . 1 1 59 59 LEU CB C 13 39.88 0 . . . . . A 59 LEU CB . 18416 1 673 . 1 1 59 59 LEU N N 15 122.788 0.073 . . . . . A 59 LEU N . 18416 1 674 . 1 1 60 60 PRO HA H 1 4.154 0.002 . . . . . A 60 PRO HA . 18416 1 675 . 1 1 60 60 PRO HB2 H 1 1.99 0.011 . . . . . A 60 PRO HB2 . 18416 1 676 . 1 1 60 60 PRO HB3 H 1 1.029 0.006 . . . . . A 60 PRO HB3 . 18416 1 677 . 1 1 60 60 PRO HG2 H 1 1.632 0 . . . . . A 60 PRO HG2 . 18416 1 678 . 1 1 60 60 PRO HG3 H 1 1.422 0 . . . . . A 60 PRO HG3 . 18416 1 679 . 1 1 60 60 PRO HD2 H 1 3.558 0 . . . . . A 60 PRO HD2 . 18416 1 680 . 1 1 60 60 PRO HD3 H 1 3.19 0 . . . . . A 60 PRO HD3 . 18416 1 681 . 1 1 60 60 PRO C C 13 176.755 0 . . . . . A 60 PRO C . 18416 1 682 . 1 1 60 60 PRO CA C 13 65.001 0.038 . . . . . A 60 PRO CA . 18416 1 683 . 1 1 60 60 PRO CB C 13 30.858 0 . . . . . A 60 PRO CB . 18416 1 684 . 1 1 60 60 PRO CG C 13 27.401 0 . . . . . A 60 PRO CG . 18416 1 685 . 1 1 60 60 PRO CD C 13 50.212 0 . . . . . A 60 PRO CD . 18416 1 686 . 1 1 61 61 PHE H H 1 7.784 0.004 . . . . . A 61 PHE H . 18416 1 687 . 1 1 61 61 PHE HA H 1 4.677 0.013 . . . . . A 61 PHE HA . 18416 1 688 . 1 1 61 61 PHE HB2 H 1 3.453 0.001 . . . . . A 61 PHE HB2 . 18416 1 689 . 1 1 61 61 PHE HB3 H 1 2.57 0.003 . . . . . A 61 PHE HB3 . 18416 1 690 . 1 1 61 61 PHE HD1 H 1 7.03 0 . . . . . A 61 PHE HD1 . 18416 1 691 . 1 1 61 61 PHE HD2 H 1 7.03 0 . . . . . A 61 PHE HD2 . 18416 1 692 . 1 1 61 61 PHE HE1 H 1 7.064 0 . . . . . A 61 PHE HE1 . 18416 1 693 . 1 1 61 61 PHE HE2 H 1 7.064 0 . . . . . A 61 PHE HE2 . 18416 1 694 . 1 1 61 61 PHE HZ H 1 7.015 0 . . . . . A 61 PHE HZ . 18416 1 695 . 1 1 61 61 PHE C C 13 175.077 0 . . . . . A 61 PHE C . 18416 1 696 . 1 1 61 61 PHE CA C 13 55.643 0.057 . . . . . A 61 PHE CA . 18416 1 697 . 1 1 61 61 PHE CB C 13 39.22 0.044 . . . . . A 61 PHE CB . 18416 1 698 . 1 1 61 61 PHE N N 15 114.932 0.066 . . . . . A 61 PHE N . 18416 1 699 . 1 1 62 62 GLN H H 1 7.127 0 . . . . . A 62 GLN H . 18416 1 700 . 1 1 62 62 GLN HA H 1 3.798 0 . . . . . A 62 GLN HA . 18416 1 701 . 1 1 62 62 GLN HB2 H 1 1.9 0 . . . . . A 62 GLN HB2 . 18416 1 702 . 1 1 62 62 GLN HB3 H 1 1.456 0 . . . . . A 62 GLN HB3 . 18416 1 703 . 1 1 62 62 GLN HG2 H 1 2.499 0 . . . . . A 62 GLN HG2 . 18416 1 704 . 1 1 62 62 GLN HG3 H 1 2.499 0 . . . . . A 62 GLN HG3 . 18416 1 705 . 1 1 62 62 GLN HE21 H 1 6.765 0 . . . . . A 62 GLN HE21 . 18416 1 706 . 1 1 62 62 GLN HE22 H 1 6.481 0 . . . . . A 62 GLN HE22 . 18416 1 707 . 1 1 62 62 GLN C C 13 176.936 0 . . . . . A 62 GLN C . 18416 1 708 . 1 1 62 62 GLN CA C 13 56.558 0 . . . . . A 62 GLN CA . 18416 1 709 . 1 1 62 62 GLN CB C 13 30.436 0 . . . . . A 62 GLN CB . 18416 1 710 . 1 1 62 62 GLN CG C 13 32.901 0 . . . . . A 62 GLN CG . 18416 1 711 . 1 1 62 62 GLN N N 15 118.186 0.027 . . . . . A 62 GLN N . 18416 1 712 . 1 1 62 62 GLN NE2 N 15 102.8 0 . . . . . A 62 GLN NE2 . 18416 1 713 . 1 1 63 63 LYS HA H 1 4.357 0.007 . . . . . A 63 LYS HA . 18416 1 714 . 1 1 63 63 LYS HB2 H 1 1.664 0.011 . . . . . A 63 LYS HB2 . 18416 1 715 . 1 1 63 63 LYS HB3 H 1 1.664 0.011 . . . . . A 63 LYS HB3 . 18416 1 716 . 1 1 63 63 LYS HG2 H 1 1.217 0 . . . . . A 63 LYS HG2 . 18416 1 717 . 1 1 63 63 LYS HG3 H 1 1.141 0 . . . . . A 63 LYS HG3 . 18416 1 718 . 1 1 63 63 LYS HD2 H 1 1.498 0 . . . . . A 63 LYS HD2 . 18416 1 719 . 1 1 63 63 LYS HD3 H 1 1.498 0 . . . . . A 63 LYS HD3 . 18416 1 720 . 1 1 63 63 LYS HE2 H 1 2.788 0 . . . . . A 63 LYS HE2 . 18416 1 721 . 1 1 63 63 LYS HE3 H 1 2.788 0 . . . . . A 63 LYS HE3 . 18416 1 722 . 1 1 63 63 LYS C C 13 174.115 0 . . . . . A 63 LYS C . 18416 1 723 . 1 1 63 63 LYS CA C 13 56.699 0.024 . . . . . A 63 LYS CA . 18416 1 724 . 1 1 63 63 LYS CB C 13 33.16 0 . . . . . A 63 LYS CB . 18416 1 725 . 1 1 63 63 LYS CG C 13 24.327 0 . . . . . A 63 LYS CG . 18416 1 726 . 1 1 63 63 LYS CD C 13 29.217 0 . . . . . A 63 LYS CD . 18416 1 727 . 1 1 63 63 LYS CE C 13 41.868 0 . . . . . A 63 LYS CE . 18416 1 728 . 1 1 63 63 LYS N N 15 122.25 0.05 . . . . . A 63 LYS N . 18416 1 729 . 1 1 64 64 LEU H H 1 8.693 0.004 . . . . . A 64 LEU H . 18416 1 730 . 1 1 64 64 LEU HA H 1 5.091 0.005 . . . . . A 64 LEU HA . 18416 1 731 . 1 1 64 64 LEU HB2 H 1 1.8 0.001 . . . . . A 64 LEU HB2 . 18416 1 732 . 1 1 64 64 LEU HB3 H 1 0.865 0.001 . . . . . A 64 LEU HB3 . 18416 1 733 . 1 1 64 64 LEU HG H 1 1.504 0 . . . . . A 64 LEU HG . 18416 1 734 . 1 1 64 64 LEU HD11 H 1 0.633 0 . . . . . A 64 LEU HD11 . 18416 1 735 . 1 1 64 64 LEU HD12 H 1 0.633 0 . . . . . A 64 LEU HD12 . 18416 1 736 . 1 1 64 64 LEU HD13 H 1 0.633 0 . . . . . A 64 LEU HD13 . 18416 1 737 . 1 1 64 64 LEU HD21 H 1 0.633 0 . . . . . A 64 LEU HD21 . 18416 1 738 . 1 1 64 64 LEU HD22 H 1 0.633 0 . . . . . A 64 LEU HD22 . 18416 1 739 . 1 1 64 64 LEU HD23 H 1 0.633 0 . . . . . A 64 LEU HD23 . 18416 1 740 . 1 1 64 64 LEU C C 13 176.023 0 . . . . . A 64 LEU C . 18416 1 741 . 1 1 64 64 LEU CA C 13 53.035 0.049 . . . . . A 64 LEU CA . 18416 1 742 . 1 1 64 64 LEU CB C 13 43.751 0 . . . . . A 64 LEU CB . 18416 1 743 . 1 1 64 64 LEU CG C 13 24.979 0 . . . . . A 64 LEU CG . 18416 1 744 . 1 1 64 64 LEU CD1 C 13 24.25 0 . . . . . A 64 LEU CD1 . 18416 1 745 . 1 1 64 64 LEU CD2 C 13 24.25 0 . . . . . A 64 LEU CD2 . 18416 1 746 . 1 1 64 64 LEU N N 15 125.928 0.062 . . . . . A 64 LEU N . 18416 1 747 . 1 1 65 65 ILE H H 1 9.216 0.002 . . . . . A 65 ILE H . 18416 1 748 . 1 1 65 65 ILE HA H 1 4.713 0.003 . . . . . A 65 ILE HA . 18416 1 749 . 1 1 65 65 ILE HB H 1 1.669 0.003 . . . . . A 65 ILE HB . 18416 1 750 . 1 1 65 65 ILE HG12 H 1 1.269 0 . . . . . A 65 ILE HG12 . 18416 1 751 . 1 1 65 65 ILE HG13 H 1 0.914 0 . . . . . A 65 ILE HG13 . 18416 1 752 . 1 1 65 65 ILE HD11 H 1 0.562 0 . . . . . A 65 ILE HD11 . 18416 1 753 . 1 1 65 65 ILE HD12 H 1 0.562 0 . . . . . A 65 ILE HD12 . 18416 1 754 . 1 1 65 65 ILE HD13 H 1 0.562 0 . . . . . A 65 ILE HD13 . 18416 1 755 . 1 1 65 65 ILE C C 13 175.376 0 . . . . . A 65 ILE C . 18416 1 756 . 1 1 65 65 ILE CA C 13 59.532 0.006 . . . . . A 65 ILE CA . 18416 1 757 . 1 1 65 65 ILE CB C 13 39.855 0 . . . . . A 65 ILE CB . 18416 1 758 . 1 1 65 65 ILE CG1 C 13 26.955 0 . . . . . A 65 ILE CG1 . 18416 1 759 . 1 1 65 65 ILE CG2 C 13 17.271 0 . . . . . A 65 ILE CG2 . 18416 1 760 . 1 1 65 65 ILE CD1 C 13 12.651 0 . . . . . A 65 ILE CD1 . 18416 1 761 . 1 1 65 65 ILE N N 15 122.512 0.058 . . . . . A 65 ILE N . 18416 1 762 . 1 1 66 66 PHE H H 1 8.934 0.004 . . . . . A 66 PHE H . 18416 1 763 . 1 1 66 66 PHE HA H 1 5.108 0.005 . . . . . A 66 PHE HA . 18416 1 764 . 1 1 66 66 PHE HB2 H 1 2.843 0.001 . . . . . A 66 PHE HB2 . 18416 1 765 . 1 1 66 66 PHE HB3 H 1 2.843 0.001 . . . . . A 66 PHE HB3 . 18416 1 766 . 1 1 66 66 PHE C C 13 174.148 0 . . . . . A 66 PHE C . 18416 1 767 . 1 1 66 66 PHE CA C 13 56.071 0.025 . . . . . A 66 PHE CA . 18416 1 768 . 1 1 66 66 PHE CB C 13 42.916 0 . . . . . A 66 PHE CB . 18416 1 769 . 1 1 66 66 PHE N N 15 127.55 0.051 . . . . . A 66 PHE N . 18416 1 770 . 1 1 67 67 LYS H H 1 9.048 0.003 . . . . . A 67 LYS H . 18416 1 771 . 1 1 67 67 LYS HA H 1 3.426 0.001 . . . . . A 67 LYS HA . 18416 1 772 . 1 1 67 67 LYS HB2 H 1 1.523 0.001 . . . . . A 67 LYS HB2 . 18416 1 773 . 1 1 67 67 LYS HB3 H 1 1.059 0.003 . . . . . A 67 LYS HB3 . 18416 1 774 . 1 1 67 67 LYS HG2 H 1 0.591 0 . . . . . A 67 LYS HG2 . 18416 1 775 . 1 1 67 67 LYS HG3 H 1 0.095 0 . . . . . A 67 LYS HG3 . 18416 1 776 . 1 1 67 67 LYS HD2 H 1 1.285 0 . . . . . A 67 LYS HD2 . 18416 1 777 . 1 1 67 67 LYS HD3 H 1 1.285 0 . . . . . A 67 LYS HD3 . 18416 1 778 . 1 1 67 67 LYS HE2 H 1 2.756 0 . . . . . A 67 LYS HE2 . 18416 1 779 . 1 1 67 67 LYS HE3 H 1 2.756 0 . . . . . A 67 LYS HE3 . 18416 1 780 . 1 1 67 67 LYS C C 13 176.46 0 . . . . . A 67 LYS C . 18416 1 781 . 1 1 67 67 LYS CA C 13 57.336 0.028 . . . . . A 67 LYS CA . 18416 1 782 . 1 1 67 67 LYS CB C 13 29.847 0 . . . . . A 67 LYS CB . 18416 1 783 . 1 1 67 67 LYS CG C 13 24.46 0 . . . . . A 67 LYS CG . 18416 1 784 . 1 1 67 67 LYS CD C 13 29.543 0 . . . . . A 67 LYS CD . 18416 1 785 . 1 1 67 67 LYS CE C 13 41.82 0 . . . . . A 67 LYS CE . 18416 1 786 . 1 1 67 67 LYS N N 15 128.548 0.024 . . . . . A 67 LYS N . 18416 1 787 . 1 1 68 68 GLY H H 1 8.056 0.003 . . . . . A 68 GLY H . 18416 1 788 . 1 1 68 68 GLY HA2 H 1 3.954 0.001 . . . . . A 68 GLY HA2 . 18416 1 789 . 1 1 68 68 GLY HA3 H 1 3.33 0.001 . . . . . A 68 GLY HA3 . 18416 1 790 . 1 1 68 68 GLY C C 13 173.4 0 . . . . . A 68 GLY C . 18416 1 791 . 1 1 68 68 GLY CA C 13 45.38 0.111 . . . . . A 68 GLY CA . 18416 1 792 . 1 1 68 68 GLY N N 15 102.622 0.058 . . . . . A 68 GLY N . 18416 1 793 . 1 1 69 69 LYS H H 1 7.76 0.004 . . . . . A 69 LYS H . 18416 1 794 . 1 1 69 69 LYS HA H 1 4.537 0.001 . . . . . A 69 LYS HA . 18416 1 795 . 1 1 69 69 LYS HB2 H 1 1.789 0.009 . . . . . A 69 LYS HB2 . 18416 1 796 . 1 1 69 69 LYS HB3 H 1 1.789 0.009 . . . . . A 69 LYS HB3 . 18416 1 797 . 1 1 69 69 LYS HG2 H 1 1.326 0 . . . . . A 69 LYS HG2 . 18416 1 798 . 1 1 69 69 LYS HG3 H 1 1.326 0 . . . . . A 69 LYS HG3 . 18416 1 799 . 1 1 69 69 LYS HD2 H 1 1.627 0 . . . . . A 69 LYS HD2 . 18416 1 800 . 1 1 69 69 LYS HD3 H 1 1.627 0 . . . . . A 69 LYS HD3 . 18416 1 801 . 1 1 69 69 LYS HE2 H 1 2.936 0 . . . . . A 69 LYS HE2 . 18416 1 802 . 1 1 69 69 LYS HE3 H 1 2.936 0 . . . . . A 69 LYS HE3 . 18416 1 803 . 1 1 69 69 LYS C C 13 175.054 0 . . . . . A 69 LYS C . 18416 1 804 . 1 1 69 69 LYS CA C 13 54.594 0.015 . . . . . A 69 LYS CA . 18416 1 805 . 1 1 69 69 LYS CB C 13 34.633 0 . . . . . A 69 LYS CB . 18416 1 806 . 1 1 69 69 LYS CG C 13 24.441 0 . . . . . A 69 LYS CG . 18416 1 807 . 1 1 69 69 LYS CD C 13 28.954 0 . . . . . A 69 LYS CD . 18416 1 808 . 1 1 69 69 LYS CE C 13 42.023 0 . . . . . A 69 LYS CE . 18416 1 809 . 1 1 69 69 LYS N N 15 122.028 0.019 . . . . . A 69 LYS N . 18416 1 810 . 1 1 70 70 SER H H 1 8.523 0.002 . . . . . A 70 SER H . 18416 1 811 . 1 1 70 70 SER HA H 1 4.803 0.006 . . . . . A 70 SER HA . 18416 1 812 . 1 1 70 70 SER HB2 H 1 3.64 0.003 . . . . . A 70 SER HB2 . 18416 1 813 . 1 1 70 70 SER HB3 H 1 3.64 0.003 . . . . . A 70 SER HB3 . 18416 1 814 . 1 1 70 70 SER C C 13 175.258 0 . . . . . A 70 SER C . 18416 1 815 . 1 1 70 70 SER CA C 13 57.77 0.037 . . . . . A 70 SER CA . 18416 1 816 . 1 1 70 70 SER CB C 13 63.601 0 . . . . . A 70 SER CB . 18416 1 817 . 1 1 70 70 SER N N 15 118.953 0.031 . . . . . A 70 SER N . 18416 1 818 . 1 1 71 71 LEU H H 1 8.716 0.003 . . . . . A 71 LEU H . 18416 1 819 . 1 1 71 71 LEU HA H 1 4.386 0.02 . . . . . A 71 LEU HA . 18416 1 820 . 1 1 71 71 LEU HB2 H 1 1.741 0.008 . . . . . A 71 LEU HB2 . 18416 1 821 . 1 1 71 71 LEU HB3 H 1 1.29 0.001 . . . . . A 71 LEU HB3 . 18416 1 822 . 1 1 71 71 LEU HG H 1 1.481 0 . . . . . A 71 LEU HG . 18416 1 823 . 1 1 71 71 LEU HD11 H 1 0.772 0 . . . . . A 71 LEU HD11 . 18416 1 824 . 1 1 71 71 LEU HD12 H 1 0.772 0 . . . . . A 71 LEU HD12 . 18416 1 825 . 1 1 71 71 LEU HD13 H 1 0.772 0 . . . . . A 71 LEU HD13 . 18416 1 826 . 1 1 71 71 LEU HD21 H 1 0.626 0 . . . . . A 71 LEU HD21 . 18416 1 827 . 1 1 71 71 LEU HD22 H 1 0.626 0 . . . . . A 71 LEU HD22 . 18416 1 828 . 1 1 71 71 LEU HD23 H 1 0.626 0 . . . . . A 71 LEU HD23 . 18416 1 829 . 1 1 71 71 LEU C C 13 175.831 0 . . . . . A 71 LEU C . 18416 1 830 . 1 1 71 71 LEU CA C 13 54.135 0.014 . . . . . A 71 LEU CA . 18416 1 831 . 1 1 71 71 LEU CB C 13 39.572 0.083 . . . . . A 71 LEU CB . 18416 1 832 . 1 1 71 71 LEU CG C 13 25.548 0 . . . . . A 71 LEU CG . 18416 1 833 . 1 1 71 71 LEU CD1 C 13 23.599 0 . . . . . A 71 LEU CD1 . 18416 1 834 . 1 1 71 71 LEU CD2 C 13 23.599 0 . . . . . A 71 LEU CD2 . 18416 1 835 . 1 1 71 71 LEU N N 15 127.098 0.036 . . . . . A 71 LEU N . 18416 1 836 . 1 1 72 72 LYS H H 1 7.972 0.003 . . . . . A 72 LYS H . 18416 1 837 . 1 1 72 72 LYS HA H 1 4.278 0 . . . . . A 72 LYS HA . 18416 1 838 . 1 1 72 72 LYS HB2 H 1 1.743 0 . . . . . A 72 LYS HB2 . 18416 1 839 . 1 1 72 72 LYS HB3 H 1 1.587 0 . . . . . A 72 LYS HB3 . 18416 1 840 . 1 1 72 72 LYS C C 13 174.316 0 . . . . . A 72 LYS C . 18416 1 841 . 1 1 72 72 LYS CA C 13 56.193 0 . . . . . A 72 LYS CA . 18416 1 842 . 1 1 72 72 LYS CB C 13 34.113 0.17 . . . . . A 72 LYS CB . 18416 1 843 . 1 1 72 72 LYS CG C 13 24.233 0 . . . . . A 72 LYS CG . 18416 1 844 . 1 1 72 72 LYS CD C 13 28.777 0 . . . . . A 72 LYS CD . 18416 1 845 . 1 1 72 72 LYS CE C 13 41.941 0 . . . . . A 72 LYS CE . 18416 1 846 . 1 1 72 72 LYS N N 15 121.487 0.071 . . . . . A 72 LYS N . 18416 1 847 . 1 1 73 73 GLU H H 1 8.197 0.005 . . . . . A 73 GLU H . 18416 1 848 . 1 1 73 73 GLU CA C 13 55.762 0 . . . . . A 73 GLU CA . 18416 1 849 . 1 1 73 73 GLU CB C 13 28.743 0 . . . . . A 73 GLU CB . 18416 1 850 . 1 1 73 73 GLU N N 15 120.652 0.079 . . . . . A 73 GLU N . 18416 1 851 . 1 1 74 74 MET HA H 1 4.322 0.003 . . . . . A 74 MET HA . 18416 1 852 . 1 1 74 74 MET HB2 H 1 1.886 0.014 . . . . . A 74 MET HB2 . 18416 1 853 . 1 1 74 74 MET HB3 H 1 1.886 0.014 . . . . . A 74 MET HB3 . 18416 1 854 . 1 1 74 74 MET HG2 H 1 2.428 0 . . . . . A 74 MET HG2 . 18416 1 855 . 1 1 74 74 MET HG3 H 1 2.428 0 . . . . . A 74 MET HG3 . 18416 1 856 . 1 1 74 74 MET C C 13 175.879 0 . . . . . A 74 MET C . 18416 1 857 . 1 1 74 74 MET CA C 13 55.316 0.008 . . . . . A 74 MET CA . 18416 1 858 . 1 1 74 74 MET CB C 13 33.051 0 . . . . . A 74 MET CB . 18416 1 859 . 1 1 74 74 MET CG C 13 31.727 0 . . . . . A 74 MET CG . 18416 1 860 . 1 1 75 75 GLU H H 1 8.299 0.002 . . . . . A 75 GLU H . 18416 1 861 . 1 1 75 75 GLU HA H 1 4.203 0.001 . . . . . A 75 GLU HA . 18416 1 862 . 1 1 75 75 GLU HB2 H 1 1.843 0.005 . . . . . A 75 GLU HB2 . 18416 1 863 . 1 1 75 75 GLU HB3 H 1 1.843 0.005 . . . . . A 75 GLU HB3 . 18416 1 864 . 1 1 75 75 GLU HG2 H 1 2.119 0 . . . . . A 75 GLU HG2 . 18416 1 865 . 1 1 75 75 GLU HG3 H 1 2.119 0 . . . . . A 75 GLU HG3 . 18416 1 866 . 1 1 75 75 GLU C C 13 176.175 0 . . . . . A 75 GLU C . 18416 1 867 . 1 1 75 75 GLU CA C 13 56.275 0.07 . . . . . A 75 GLU CA . 18416 1 868 . 1 1 75 75 GLU CB C 13 30.348 0.12 . . . . . A 75 GLU CB . 18416 1 869 . 1 1 75 75 GLU CG C 13 35.981 0 . . . . . A 75 GLU CG . 18416 1 870 . 1 1 75 75 GLU N N 15 122.36 0.052 . . . . . A 75 GLU N . 18416 1 871 . 1 1 76 76 THR H H 1 8.073 0.002 . . . . . A 76 THR H . 18416 1 872 . 1 1 76 76 THR HA H 1 4.453 0 . . . . . A 76 THR HA . 18416 1 873 . 1 1 76 76 THR HB H 1 3.992 0 . . . . . A 76 THR HB . 18416 1 874 . 1 1 76 76 THR HG21 H 1 1.143 0 . . . . . A 76 THR HG21 . 18416 1 875 . 1 1 76 76 THR HG22 H 1 1.143 0 . . . . . A 76 THR HG22 . 18416 1 876 . 1 1 76 76 THR HG23 H 1 1.143 0 . . . . . A 76 THR HG23 . 18416 1 877 . 1 1 76 76 THR CA C 13 59.951 0.052 . . . . . A 76 THR CA . 18416 1 878 . 1 1 76 76 THR CB C 13 69.806 0 . . . . . A 76 THR CB . 18416 1 879 . 1 1 76 76 THR N N 15 118.318 0.028 . . . . . A 76 THR N . 18416 1 880 . 1 1 77 77 PRO HA H 1 4.667 0.005 . . . . . A 77 PRO HA . 18416 1 881 . 1 1 77 77 PRO HB2 H 1 2.037 0.002 . . . . . A 77 PRO HB2 . 18416 1 882 . 1 1 77 77 PRO HB3 H 1 1.715 0.005 . . . . . A 77 PRO HB3 . 18416 1 883 . 1 1 77 77 PRO C C 13 177.346 0 . . . . . A 77 PRO C . 18416 1 884 . 1 1 77 77 PRO CA C 13 62.617 0.011 . . . . . A 77 PRO CA . 18416 1 885 . 1 1 77 77 PRO CB C 13 32.075 0 . . . . . A 77 PRO CB . 18416 1 886 . 1 1 77 77 PRO CG C 13 27.992 0 . . . . . A 77 PRO CG . 18416 1 887 . 1 1 77 77 PRO CD C 13 51.494 0 . . . . . A 77 PRO CD . 18416 1 888 . 1 1 78 78 LEU H H 1 8.217 0.004 . . . . . A 78 LEU H . 18416 1 889 . 1 1 78 78 LEU HA H 1 3.709 0.005 . . . . . A 78 LEU HA . 18416 1 890 . 1 1 78 78 LEU HB2 H 1 1.38 0.005 . . . . . A 78 LEU HB2 . 18416 1 891 . 1 1 78 78 LEU HG H 1 1.237 0 . . . . . A 78 LEU HG . 18416 1 892 . 1 1 78 78 LEU HD11 H 1 0.56 0 . . . . . A 78 LEU HD11 . 18416 1 893 . 1 1 78 78 LEU HD12 H 1 0.56 0 . . . . . A 78 LEU HD12 . 18416 1 894 . 1 1 78 78 LEU HD13 H 1 0.56 0 . . . . . A 78 LEU HD13 . 18416 1 895 . 1 1 78 78 LEU HD21 H 1 0.56 0 . . . . . A 78 LEU HD21 . 18416 1 896 . 1 1 78 78 LEU HD22 H 1 0.56 0 . . . . . A 78 LEU HD22 . 18416 1 897 . 1 1 78 78 LEU HD23 H 1 0.56 0 . . . . . A 78 LEU HD23 . 18416 1 898 . 1 1 78 78 LEU C C 13 180.001 0 . . . . . A 78 LEU C . 18416 1 899 . 1 1 78 78 LEU CA C 13 57.89 0.021 . . . . . A 78 LEU CA . 18416 1 900 . 1 1 78 78 LEU CB C 13 37.891 0 . . . . . A 78 LEU CB . 18416 1 901 . 1 1 78 78 LEU CG C 13 26.065 0 . . . . . A 78 LEU CG . 18416 1 902 . 1 1 78 78 LEU CD1 C 13 21.246 0 . . . . . A 78 LEU CD1 . 18416 1 903 . 1 1 78 78 LEU CD2 C 13 21.246 0 . . . . . A 78 LEU CD2 . 18416 1 904 . 1 1 78 78 LEU N N 15 123.464 0.084 . . . . . A 78 LEU N . 18416 1 905 . 1 1 79 79 SER H H 1 8.991 0.004 . . . . . A 79 SER H . 18416 1 906 . 1 1 79 79 SER HA H 1 3.993 0.001 . . . . . A 79 SER HA . 18416 1 907 . 1 1 79 79 SER HB2 H 1 3.781 0.006 . . . . . A 79 SER HB2 . 18416 1 908 . 1 1 79 79 SER HB3 H 1 3.781 0.006 . . . . . A 79 SER HB3 . 18416 1 909 . 1 1 79 79 SER C C 13 178.179 0 . . . . . A 79 SER C . 18416 1 910 . 1 1 79 79 SER CA C 13 60.453 0.009 . . . . . A 79 SER CA . 18416 1 911 . 1 1 79 79 SER CB C 13 61.355 0 . . . . . A 79 SER CB . 18416 1 912 . 1 1 79 79 SER N N 15 114.101 0.04 . . . . . A 79 SER N . 18416 1 913 . 1 1 80 80 ALA H H 1 7.092 0.002 . . . . . A 80 ALA H . 18416 1 914 . 1 1 80 80 ALA HA H 1 4.148 0.001 . . . . . A 80 ALA HA . 18416 1 915 . 1 1 80 80 ALA HB1 H 1 1.411 0.002 . . . . . A 80 ALA HB1 . 18416 1 916 . 1 1 80 80 ALA HB2 H 1 1.411 0.002 . . . . . A 80 ALA HB2 . 18416 1 917 . 1 1 80 80 ALA HB3 H 1 1.411 0.002 . . . . . A 80 ALA HB3 . 18416 1 918 . 1 1 80 80 ALA C C 13 178.869 0 . . . . . A 80 ALA C . 18416 1 919 . 1 1 80 80 ALA CA C 13 53.976 0.044 . . . . . A 80 ALA CA . 18416 1 920 . 1 1 80 80 ALA CB C 13 17.903 0 . . . . . A 80 ALA CB . 18416 1 921 . 1 1 80 80 ALA N N 15 126.21 0.016 . . . . . A 80 ALA N . 18416 1 922 . 1 1 81 81 LEU H H 1 7.061 0.003 . . . . . A 81 LEU H . 18416 1 923 . 1 1 81 81 LEU HA H 1 4.255 0.004 . . . . . A 81 LEU HA . 18416 1 924 . 1 1 81 81 LEU HB2 H 1 1.743 0 . . . . . A 81 LEU HB2 . 18416 1 925 . 1 1 81 81 LEU HB3 H 1 1.562 0.002 . . . . . A 81 LEU HB3 . 18416 1 926 . 1 1 81 81 LEU HG H 1 0.687 0 . . . . . A 81 LEU HG . 18416 1 927 . 1 1 81 81 LEU HD11 H 1 0.842 0 . . . . . A 81 LEU HD11 . 18416 1 928 . 1 1 81 81 LEU HD12 H 1 0.842 0 . . . . . A 81 LEU HD12 . 18416 1 929 . 1 1 81 81 LEU HD13 H 1 0.842 0 . . . . . A 81 LEU HD13 . 18416 1 930 . 1 1 81 81 LEU HD21 H 1 0.842 0 . . . . . A 81 LEU HD21 . 18416 1 931 . 1 1 81 81 LEU HD22 H 1 0.842 0 . . . . . A 81 LEU HD22 . 18416 1 932 . 1 1 81 81 LEU HD23 H 1 0.842 0 . . . . . A 81 LEU HD23 . 18416 1 933 . 1 1 81 81 LEU C C 13 176.946 0 . . . . . A 81 LEU C . 18416 1 934 . 1 1 81 81 LEU CA C 13 54.519 0.035 . . . . . A 81 LEU CA . 18416 1 935 . 1 1 81 81 LEU CB C 13 42.986 0 . . . . . A 81 LEU CB . 18416 1 936 . 1 1 81 81 LEU CG C 13 26.877 0 . . . . . A 81 LEU CG . 18416 1 937 . 1 1 81 81 LEU CD1 C 13 22.744 0 . . . . . A 81 LEU CD1 . 18416 1 938 . 1 1 81 81 LEU CD2 C 13 22.744 0 . . . . . A 81 LEU CD2 . 18416 1 939 . 1 1 81 81 LEU N N 15 116.652 0.03 . . . . . A 81 LEU N . 18416 1 940 . 1 1 82 82 GLY H H 1 7.583 0.003 . . . . . A 82 GLY H . 18416 1 941 . 1 1 82 82 GLY HA2 H 1 4.192 0.004 . . . . . A 82 GLY HA2 . 18416 1 942 . 1 1 82 82 GLY HA3 H 1 3.703 0.001 . . . . . A 82 GLY HA3 . 18416 1 943 . 1 1 82 82 GLY C C 13 175.09 0 . . . . . A 82 GLY C . 18416 1 944 . 1 1 82 82 GLY CA C 13 45.119 0.048 . . . . . A 82 GLY CA . 18416 1 945 . 1 1 82 82 GLY N N 15 104.726 0.027 . . . . . A 82 GLY N . 18416 1 946 . 1 1 83 83 MET H H 1 6.928 0.002 . . . . . A 83 MET H . 18416 1 947 . 1 1 83 83 MET HA H 1 3.83 0.007 . . . . . A 83 MET HA . 18416 1 948 . 1 1 83 83 MET HB2 H 1 1.417 0 . . . . . A 83 MET HB2 . 18416 1 949 . 1 1 83 83 MET HB3 H 1 1.233 0 . . . . . A 83 MET HB3 . 18416 1 950 . 1 1 83 83 MET HG2 H 1 1.583 0 . . . . . A 83 MET HG2 . 18416 1 951 . 1 1 83 83 MET HE1 H 1 1 0 . . . . . A 83 MET HE1 . 18416 1 952 . 1 1 83 83 MET HE2 H 1 1 0 . . . . . A 83 MET HE2 . 18416 1 953 . 1 1 83 83 MET HE3 H 1 1 0 . . . . . A 83 MET HE3 . 18416 1 954 . 1 1 83 83 MET C C 13 173.821 0 . . . . . A 83 MET C . 18416 1 955 . 1 1 83 83 MET CA C 13 57.817 0.02 . . . . . A 83 MET CA . 18416 1 956 . 1 1 83 83 MET CB C 13 32.666 0 . . . . . A 83 MET CB . 18416 1 957 . 1 1 83 83 MET N N 15 118.064 0.029 . . . . . A 83 MET N . 18416 1 958 . 1 1 84 84 GLN H H 1 7.307 0.002 . . . . . A 84 GLN H . 18416 1 959 . 1 1 84 84 GLN HA H 1 4.394 0.008 . . . . . A 84 GLN HA . 18416 1 960 . 1 1 84 84 GLN HB2 H 1 2.084 0.007 . . . . . A 84 GLN HB2 . 18416 1 961 . 1 1 84 84 GLN HB3 H 1 1.801 0.007 . . . . . A 84 GLN HB3 . 18416 1 962 . 1 1 84 84 GLN HG2 H 1 2.167 0 . . . . . A 84 GLN HG2 . 18416 1 963 . 1 1 84 84 GLN HG3 H 1 2.167 0 . . . . . A 84 GLN HG3 . 18416 1 964 . 1 1 84 84 GLN HE21 H 1 7.372 0 . . . . . A 84 GLN HE21 . 18416 1 965 . 1 1 84 84 GLN HE22 H 1 6.703 0 . . . . . A 84 GLN HE22 . 18416 1 966 . 1 1 84 84 GLN C C 13 174.281 0 . . . . . A 84 GLN C . 18416 1 967 . 1 1 84 84 GLN CA C 13 53.602 0.033 . . . . . A 84 GLN CA . 18416 1 968 . 1 1 84 84 GLN CB C 13 32.113 0 . . . . . A 84 GLN CB . 18416 1 969 . 1 1 84 84 GLN CG C 13 33.293 0 . . . . . A 84 GLN CG . 18416 1 970 . 1 1 84 84 GLN N N 15 119.813 0.02 . . . . . A 84 GLN N . 18416 1 971 . 1 1 84 84 GLN NE2 N 15 112.038 0 . . . . . A 84 GLN NE2 . 18416 1 972 . 1 1 85 85 ASN H H 1 8.599 0.004 . . . . . A 85 ASN H . 18416 1 973 . 1 1 85 85 ASN HA H 1 4.758 0.004 . . . . . A 85 ASN HA . 18416 1 974 . 1 1 85 85 ASN HB2 H 1 2.617 0 . . . . . A 85 ASN HB2 . 18416 1 975 . 1 1 85 85 ASN HB3 H 1 2.617 0 . . . . . A 85 ASN HB3 . 18416 1 976 . 1 1 85 85 ASN HD21 H 1 7.554 0 . . . . . A 85 ASN HD21 . 18416 1 977 . 1 1 85 85 ASN HD22 H 1 7.117 0 . . . . . A 85 ASN HD22 . 18416 1 978 . 1 1 85 85 ASN C C 13 177.437 0 . . . . . A 85 ASN C . 18416 1 979 . 1 1 85 85 ASN CA C 13 55.087 0.016 . . . . . A 85 ASN CA . 18416 1 980 . 1 1 85 85 ASN CB C 13 38.58 0 . . . . . A 85 ASN CB . 18416 1 981 . 1 1 85 85 ASN N N 15 118.573 0.066 . . . . . A 85 ASN N . 18416 1 982 . 1 1 85 85 ASN ND2 N 15 114.329 0 . . . . . A 85 ASN ND2 . 18416 1 983 . 1 1 86 86 GLY H H 1 9.319 0.004 . . . . . A 86 GLY H . 18416 1 984 . 1 1 86 86 GLY HA2 H 1 4.042 0.008 . . . . . A 86 GLY HA2 . 18416 1 985 . 1 1 86 86 GLY HA3 H 1 3.473 0.002 . . . . . A 86 GLY HA3 . 18416 1 986 . 1 1 86 86 GLY C C 13 173.928 0 . . . . . A 86 GLY C . 18416 1 987 . 1 1 86 86 GLY CA C 13 44.965 0.083 . . . . . A 86 GLY CA . 18416 1 988 . 1 1 86 86 GLY N N 15 112.748 0.036 . . . . . A 86 GLY N . 18416 1 989 . 1 1 87 87 CYS H H 1 7.831 0.004 . . . . . A 87 CYS H . 18416 1 990 . 1 1 87 87 CYS HA H 1 4.594 0.001 . . . . . A 87 CYS HA . 18416 1 991 . 1 1 87 87 CYS HB2 H 1 3.352 0.002 . . . . . A 87 CYS HB2 . 18416 1 992 . 1 1 87 87 CYS HB3 H 1 3.256 0.009 . . . . . A 87 CYS HB3 . 18416 1 993 . 1 1 87 87 CYS C C 13 170.57 0 . . . . . A 87 CYS C . 18416 1 994 . 1 1 87 87 CYS CA C 13 57.437 0.014 . . . . . A 87 CYS CA . 18416 1 995 . 1 1 87 87 CYS CB C 13 28.881 0 . . . . . A 87 CYS CB . 18416 1 996 . 1 1 87 87 CYS N N 15 117.213 0.018 . . . . . A 87 CYS N . 18416 1 997 . 1 1 88 88 ARG H H 1 8.276 0.003 . . . . . A 88 ARG H . 18416 1 998 . 1 1 88 88 ARG HA H 1 5.433 0.007 . . . . . A 88 ARG HA . 18416 1 999 . 1 1 88 88 ARG HB2 H 1 1.71 0.007 . . . . . A 88 ARG HB2 . 18416 1 1000 . 1 1 88 88 ARG HB3 H 1 1.71 0.007 . . . . . A 88 ARG HB3 . 18416 1 1001 . 1 1 88 88 ARG HG2 H 1 1.647 0 . . . . . A 88 ARG HG2 . 18416 1 1002 . 1 1 88 88 ARG HG3 H 1 1.444 0 . . . . . A 88 ARG HG3 . 18416 1 1003 . 1 1 88 88 ARG HD2 H 1 3.082 0 . . . . . A 88 ARG HD2 . 18416 1 1004 . 1 1 88 88 ARG HD3 H 1 3.082 0 . . . . . A 88 ARG HD3 . 18416 1 1005 . 1 1 88 88 ARG C C 13 174.162 0 . . . . . A 88 ARG C . 18416 1 1006 . 1 1 88 88 ARG CA C 13 54.802 0.015 . . . . . A 88 ARG CA . 18416 1 1007 . 1 1 88 88 ARG CB C 13 32.267 0 . . . . . A 88 ARG CB . 18416 1 1008 . 1 1 88 88 ARG CG C 13 27.918 0 . . . . . A 88 ARG CG . 18416 1 1009 . 1 1 88 88 ARG CD C 13 43.306 0 . . . . . A 88 ARG CD . 18416 1 1010 . 1 1 88 88 ARG N N 15 118.39 0.023 . . . . . A 88 ARG N . 18416 1 1011 . 1 1 89 89 VAL H H 1 9.156 0.011 . . . . . A 89 VAL H . 18416 1 1012 . 1 1 89 89 VAL HA H 1 4.575 0.006 . . . . . A 89 VAL HA . 18416 1 1013 . 1 1 89 89 VAL HB H 1 1.727 0.002 . . . . . A 89 VAL HB . 18416 1 1014 . 1 1 89 89 VAL HG11 H 1 0.734 0 . . . . . A 89 VAL HG11 . 18416 1 1015 . 1 1 89 89 VAL HG12 H 1 0.734 0 . . . . . A 89 VAL HG12 . 18416 1 1016 . 1 1 89 89 VAL HG13 H 1 0.734 0 . . . . . A 89 VAL HG13 . 18416 1 1017 . 1 1 89 89 VAL HG21 H 1 0.734 0 . . . . . A 89 VAL HG21 . 18416 1 1018 . 1 1 89 89 VAL HG22 H 1 0.734 0 . . . . . A 89 VAL HG22 . 18416 1 1019 . 1 1 89 89 VAL HG23 H 1 0.734 0 . . . . . A 89 VAL HG23 . 18416 1 1020 . 1 1 89 89 VAL C C 13 173.979 0 . . . . . A 89 VAL C . 18416 1 1021 . 1 1 89 89 VAL CA C 13 60.485 0.02 . . . . . A 89 VAL CA . 18416 1 1022 . 1 1 89 89 VAL CB C 13 35.759 0 . . . . . A 89 VAL CB . 18416 1 1023 . 1 1 89 89 VAL CG1 C 13 22.932 0 . . . . . A 89 VAL CG1 . 18416 1 1024 . 1 1 89 89 VAL CG2 C 13 22.03 0 . . . . . A 89 VAL CG2 . 18416 1 1025 . 1 1 89 89 VAL N N 15 124.286 0.116 . . . . . A 89 VAL N . 18416 1 1026 . 1 1 90 90 MET H H 1 8.721 0.004 . . . . . A 90 MET H . 18416 1 1027 . 1 1 90 90 MET HA H 1 4.991 0.005 . . . . . A 90 MET HA . 18416 1 1028 . 1 1 90 90 MET HB2 H 1 1.958 0.001 . . . . . A 90 MET HB2 . 18416 1 1029 . 1 1 90 90 MET HB3 H 1 1.958 0.001 . . . . . A 90 MET HB3 . 18416 1 1030 . 1 1 90 90 MET HG2 H 1 2.455 0 . . . . . A 90 MET HG2 . 18416 1 1031 . 1 1 90 90 MET HG3 H 1 2.354 0 . . . . . A 90 MET HG3 . 18416 1 1032 . 1 1 90 90 MET C C 13 173.99 0 . . . . . A 90 MET C . 18416 1 1033 . 1 1 90 90 MET CA C 13 54.481 0.053 . . . . . A 90 MET CA . 18416 1 1034 . 1 1 90 90 MET CB C 13 31.752 0 . . . . . A 90 MET CB . 18416 1 1035 . 1 1 90 90 MET N N 15 125.948 0.048 . . . . . A 90 MET N . 18416 1 1036 . 1 1 91 91 LEU H H 1 8.856 0.004 . . . . . A 91 LEU H . 18416 1 1037 . 1 1 91 91 LEU HA H 1 5.16 0.023 . . . . . A 91 LEU HA . 18416 1 1038 . 1 1 91 91 LEU HB2 H 1 1.631 0 . . . . . A 91 LEU HB2 . 18416 1 1039 . 1 1 91 91 LEU HB3 H 1 0.802 0.002 . . . . . A 91 LEU HB3 . 18416 1 1040 . 1 1 91 91 LEU HG H 1 0.53 0 . . . . . A 91 LEU HG . 18416 1 1041 . 1 1 91 91 LEU C C 13 175.24 0 . . . . . A 91 LEU C . 18416 1 1042 . 1 1 91 91 LEU CA C 13 53.256 0.036 . . . . . A 91 LEU CA . 18416 1 1043 . 1 1 91 91 LEU CB C 13 43.521 0 . . . . . A 91 LEU CB . 18416 1 1044 . 1 1 91 91 LEU CG C 13 27.485 0 . . . . . A 91 LEU CG . 18416 1 1045 . 1 1 91 91 LEU CD1 C 13 25.697 0 . . . . . A 91 LEU CD1 . 18416 1 1046 . 1 1 91 91 LEU CD2 C 13 23.314 0 . . . . . A 91 LEU CD2 . 18416 1 1047 . 1 1 91 91 LEU N N 15 124.958 0.025 . . . . . A 91 LEU N . 18416 1 1048 . 1 1 92 92 ILE H H 1 9.074 0.01 . . . . . A 92 ILE H . 18416 1 1049 . 1 1 92 92 ILE HA H 1 4.426 0.004 . . . . . A 92 ILE HA . 18416 1 1050 . 1 1 92 92 ILE HB H 1 1.784 0.002 . . . . . A 92 ILE HB . 18416 1 1051 . 1 1 92 92 ILE HG12 H 1 1.391 0 . . . . . A 92 ILE HG12 . 18416 1 1052 . 1 1 92 92 ILE HG13 H 1 1.126 0 . . . . . A 92 ILE HG13 . 18416 1 1053 . 1 1 92 92 ILE HD11 H 1 0.842 0 . . . . . A 92 ILE HD11 . 18416 1 1054 . 1 1 92 92 ILE HD12 H 1 0.842 0 . . . . . A 92 ILE HD12 . 18416 1 1055 . 1 1 92 92 ILE HD13 H 1 0.842 0 . . . . . A 92 ILE HD13 . 18416 1 1056 . 1 1 92 92 ILE C C 13 175.354 0 . . . . . A 92 ILE C . 18416 1 1057 . 1 1 92 92 ILE CA C 13 60.04 0.013 . . . . . A 92 ILE CA . 18416 1 1058 . 1 1 92 92 ILE CB C 13 39.687 0 . . . . . A 92 ILE CB . 18416 1 1059 . 1 1 92 92 ILE CG1 C 13 27.599 0 . . . . . A 92 ILE CG1 . 18416 1 1060 . 1 1 92 92 ILE CG2 C 13 17.11 0 . . . . . A 92 ILE CG2 . 18416 1 1061 . 1 1 92 92 ILE CD1 C 13 12.823 0 . . . . . A 92 ILE CD1 . 18416 1 1062 . 1 1 92 92 ILE N N 15 128.808 0.116 . . . . . A 92 ILE N . 18416 1 1063 . 1 1 93 93 GLY H H 1 8.596 0.002 . . . . . A 93 GLY H . 18416 1 1064 . 1 1 93 93 GLY HA2 H 1 4.087 0.003 . . . . . A 93 GLY HA2 . 18416 1 1065 . 1 1 93 93 GLY C C 13 172.291 0 . . . . . A 93 GLY C . 18416 1 1066 . 1 1 93 93 GLY CA C 13 44.943 0.065 . . . . . A 93 GLY CA . 18416 1 1067 . 1 1 93 93 GLY N N 15 113.49 0.044 . . . . . A 93 GLY N . 18416 1 1068 . 1 1 94 94 GLU H H 1 8.27 0.003 . . . . . A 94 GLU H . 18416 1 1069 . 1 1 94 94 GLU HA H 1 4.507 0.012 . . . . . A 94 GLU HA . 18416 1 1070 . 1 1 94 94 GLU HB2 H 1 1.961 0.022 . . . . . A 94 GLU HB2 . 18416 1 1071 . 1 1 94 94 GLU HB3 H 1 1.687 0.003 . . . . . A 94 GLU HB3 . 18416 1 1072 . 1 1 94 94 GLU HG2 H 1 2.119 0 . . . . . A 94 GLU HG2 . 18416 1 1073 . 1 1 94 94 GLU HG3 H 1 2.119 0 . . . . . A 94 GLU HG3 . 18416 1 1074 . 1 1 94 94 GLU C C 13 175.517 0 . . . . . A 94 GLU C . 18416 1 1075 . 1 1 94 94 GLU CA C 13 55.046 0.022 . . . . . A 94 GLU CA . 18416 1 1076 . 1 1 94 94 GLU CB C 13 31.623 0 . . . . . A 94 GLU CB . 18416 1 1077 . 1 1 94 94 GLU CG C 13 35.644 0 . . . . . A 94 GLU CG . 18416 1 1078 . 1 1 94 94 GLU N N 15 120.522 0.064 . . . . . A 94 GLU N . 18416 1 1079 . 1 1 95 95 LYS H H 1 8.469 0.004 . . . . . A 95 LYS H . 18416 1 1080 . 1 1 95 95 LYS HA H 1 3.973 0.002 . . . . . A 95 LYS HA . 18416 1 1081 . 1 1 95 95 LYS HB2 H 1 1.672 0.003 . . . . . A 95 LYS HB2 . 18416 1 1082 . 1 1 95 95 LYS HB3 H 1 1.582 0.001 . . . . . A 95 LYS HB3 . 18416 1 1083 . 1 1 95 95 LYS HG2 H 1 1.288 0 . . . . . A 95 LYS HG2 . 18416 1 1084 . 1 1 95 95 LYS HG3 H 1 1.288 0 . . . . . A 95 LYS HG3 . 18416 1 1085 . 1 1 95 95 LYS HD2 H 1 1.601 0 . . . . . A 95 LYS HD2 . 18416 1 1086 . 1 1 95 95 LYS HD3 H 1 1.601 0 . . . . . A 95 LYS HD3 . 18416 1 1087 . 1 1 95 95 LYS HE2 H 1 2.894 0 . . . . . A 95 LYS HE2 . 18416 1 1088 . 1 1 95 95 LYS HE3 H 1 2.894 0 . . . . . A 95 LYS HE3 . 18416 1 1089 . 1 1 95 95 LYS C C 13 176.173 0 . . . . . A 95 LYS C . 18416 1 1090 . 1 1 95 95 LYS CA C 13 56.706 0.009 . . . . . A 95 LYS CA . 18416 1 1091 . 1 1 95 95 LYS CB C 13 33.098 0 . . . . . A 95 LYS CB . 18416 1 1092 . 1 1 95 95 LYS CG C 13 24.68 0 . . . . . A 95 LYS CG . 18416 1 1093 . 1 1 95 95 LYS CD C 13 29.264 0 . . . . . A 95 LYS CD . 18416 1 1094 . 1 1 95 95 LYS CE C 13 41.944 0 . . . . . A 95 LYS CE . 18416 1 1095 . 1 1 95 95 LYS N N 15 121.516 0.077 . . . . . A 95 LYS N . 18416 1 1096 . 1 1 96 96 SER H H 1 7.9 0.004 . . . . . A 96 SER H . 18416 1 1097 . 1 1 96 96 SER HA H 1 4.264 0.003 . . . . . A 96 SER HA . 18416 1 1098 . 1 1 96 96 SER HB2 H 1 3.636 0.003 . . . . . A 96 SER HB2 . 18416 1 1099 . 1 1 96 96 SER HB3 H 1 3.636 0.003 . . . . . A 96 SER HB3 . 18416 1 1100 . 1 1 96 96 SER C C 13 173.182 0 . . . . . A 96 SER C . 18416 1 1101 . 1 1 96 96 SER CA C 13 58.063 0.055 . . . . . A 96 SER CA . 18416 1 1102 . 1 1 96 96 SER CB C 13 64.019 0.082 . . . . . A 96 SER CB . 18416 1 1103 . 1 1 96 96 SER N N 15 116.873 0.019 . . . . . A 96 SER N . 18416 1 1104 . 1 1 97 97 ASN H H 1 7.9 0.001 . . . . . A 97 ASN H . 18416 1 1105 . 1 1 97 97 ASN HA H 1 4.309 0 . . . . . A 97 ASN HA . 18416 1 1106 . 1 1 97 97 ASN HB2 H 1 2.59 0 . . . . . A 97 ASN HB2 . 18416 1 1107 . 1 1 97 97 ASN HB3 H 1 2.59 0 . . . . . A 97 ASN HB3 . 18416 1 1108 . 1 1 97 97 ASN HD21 H 1 7.299 0 . . . . . A 97 ASN HD21 . 18416 1 1109 . 1 1 97 97 ASN HD22 H 1 6.631 0 . . . . . A 97 ASN HD22 . 18416 1 1110 . 1 1 97 97 ASN CA C 13 54.761 0.041 . . . . . A 97 ASN CA . 18416 1 1111 . 1 1 97 97 ASN CB C 13 40.442 0 . . . . . A 97 ASN CB . 18416 1 1112 . 1 1 97 97 ASN N N 15 125.959 0.027 . . . . . A 97 ASN N . 18416 1 1113 . 1 1 97 97 ASN ND2 N 15 112.547 0 . . . . . A 97 ASN ND2 . 18416 1 stop_ save_