data_16006 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16006 _Entry.Title ; NMR structure of the protein TM1112 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-10-27 _Entry.Accession_date 2008-10-27 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.125 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Biswaranjan Mohanty . . . 16006 2 Bill Pedrini . . . 16006 3 Pedro Serrano . . . 16006 4 Michel Geralt . . . 16006 5 Reto Horst . . . 16006 6 Ian Wilson . . . 16006 7 Kurt Wuthrich . . . 16006 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'PSI, Protein Structure Initiative' 'Joint Center for Structural Genomics' . 16006 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Thermotoga Maritima' . 16006 TM1112 . 16006 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16006 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 414 16006 '15N chemical shifts' 91 16006 '1H chemical shifts' 676 16006 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 . . 2011-05-19 2008-10-27 update BMRB 'update entry citation' 16006 1 . . 2009-04-14 2008-10-27 original author 'original release' 16006 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2K9Z 'BMRB Entry Tracking System' 16006 stop_ save_ ############### # Citations # ############### save_NMR_structure_of_the_protein_TM1112 _Citation.Sf_category citations _Citation.Sf_framecode NMR_structure_of_the_protein_TM1112 _Citation.Entry_ID 16006 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20944235 _Citation.Full_citation . _Citation.Title 'Comparison of NMR and crystal structures for the proteins TM1112 and TM1367.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun.' _Citation.Journal_name_full 'Acta crystallographica. Section F, Structural biology and crystallization communications' _Citation.Journal_volume 66 _Citation.Journal_issue 'Pt 10' _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 1381 _Citation.Page_last 1392 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Biswaranjan Mohanty . . . 16006 1 2 Pedro Serrano . . . 16006 1 3 Bill Pedrini . . . 16006 1 4 Kristaps Jaudzems . . . 16006 1 5 Michael Geralt . . . 16006 1 6 Reto Horst . . . 16006 1 7 Torsten Herrmann . . . 16006 1 8 'Marc Andre' Elsliger . . . 16006 1 9 Ian Wilson . A. . 16006 1 10 Kurt Wuthrich . . . 16006 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16006 _Assembly.ID 1 _Assembly.Name TM1112 _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 10757.4 _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 TM1112 1 $TM1112 A . yes native no no . . . 16006 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TM1112 _Entity.Sf_category entity _Entity.Sf_framecode TM1112 _Entity.Entry_ID 16006 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TM1112 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MEVKIEKPTPEKLKELSVEK WPIWEKEVSEFDWYYDTNET CYILEGKVEVTTEDGKKYVI EKGDLVTFPKGLRCRWKVLE PVRKHYNLF ; _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 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10757.4 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 1LKN . "Solution Nmr Structure Of Protein Tm_1112 From Thermotoga Maritima. Ontario Centre For Structural Proteomics Target Tm1112_1_89" . . . . . 100.00 89 100.00 100.00 4.14e-55 . . . . 16006 1 2 no PDB 1O5U . "Crystal Structure Of A Duf861 Family Protein (Tm1112) From Thermotoga Maritima At 1.83 A Resolution" . . . . . 100.00 101 100.00 100.00 1.60e-55 . . . . 16006 1 3 no PDB 2K9Z . "Nmr Structure Of The Protein Tm1112" . . . . . 100.00 89 100.00 100.00 4.14e-55 . . . . 16006 1 4 no GB AAD36188 . "hypothetical protein TM_1112 [Thermotoga maritima MSB8]" . . . . . 100.00 89 100.00 100.00 4.14e-55 . . . . 16006 1 5 no GB ABQ47637 . "protein of unknown function DUF861, cupin_3 [Thermotoga petrophila RKU-1]" . . . . . 97.75 87 98.85 100.00 3.12e-53 . . . . 16006 1 6 no GB ACB10038 . "protein of unknown function DUF861 cupin_3 [Thermotoga sp. RQ2]" . . . . . 100.00 89 97.75 98.88 4.55e-54 . . . . 16006 1 7 no GB ACM23631 . "Putative uncharacterized protein [Thermotoga neapolitana DSM 4359]" . . . . . 100.00 92 97.75 98.88 2.70e-54 . . . . 16006 1 8 no GB ADA67724 . "protein of unknown function DUF861 cupin_3 [Thermotoga naphthophila RKU-10]" . . . . . 100.00 89 97.75 98.88 2.79e-54 . . . . 16006 1 9 no REF NP_228918 . "hypothetical protein TM1112 [Thermotoga maritima MSB8]" . . . . . 100.00 89 100.00 100.00 4.14e-55 . . . . 16006 1 10 no REF WP_004080314 . "cupin [Thermotoga maritima]" . . . . . 100.00 89 100.00 100.00 4.14e-55 . . . . 16006 1 11 no REF WP_012311288 . "MULTISPECIES: cupin [Thermotoga]" . . . . . 100.00 89 97.75 98.88 4.55e-54 . . . . 16006 1 12 no REF WP_012896586 . "cupin [Thermotoga naphthophila]" . . . . . 100.00 89 97.75 98.88 2.79e-54 . . . . 16006 1 13 no REF WP_038067843 . "MULTISPECIES: cupin [Thermotoga]" . . . . . 100.00 89 97.75 98.88 3.74e-54 . . . . 16006 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 . 16006 1 2 . GLU . 16006 1 3 . VAL . 16006 1 4 . LYS . 16006 1 5 . ILE . 16006 1 6 . GLU . 16006 1 7 . LYS . 16006 1 8 . PRO . 16006 1 9 . THR . 16006 1 10 . PRO . 16006 1 11 . GLU . 16006 1 12 . LYS . 16006 1 13 . LEU . 16006 1 14 . LYS . 16006 1 15 . GLU . 16006 1 16 . LEU . 16006 1 17 . SER . 16006 1 18 . VAL . 16006 1 19 . GLU . 16006 1 20 . LYS . 16006 1 21 . TRP . 16006 1 22 . PRO . 16006 1 23 . ILE . 16006 1 24 . TRP . 16006 1 25 . GLU . 16006 1 26 . LYS . 16006 1 27 . GLU . 16006 1 28 . VAL . 16006 1 29 . SER . 16006 1 30 . GLU . 16006 1 31 . PHE . 16006 1 32 . ASP . 16006 1 33 . TRP . 16006 1 34 . TYR . 16006 1 35 . TYR . 16006 1 36 . ASP . 16006 1 37 . THR . 16006 1 38 . ASN . 16006 1 39 . GLU . 16006 1 40 . THR . 16006 1 41 . CYS . 16006 1 42 . TYR . 16006 1 43 . ILE . 16006 1 44 . LEU . 16006 1 45 . GLU . 16006 1 46 . GLY . 16006 1 47 . LYS . 16006 1 48 . VAL . 16006 1 49 . GLU . 16006 1 50 . VAL . 16006 1 51 . THR . 16006 1 52 . THR . 16006 1 53 . GLU . 16006 1 54 . ASP . 16006 1 55 . GLY . 16006 1 56 . LYS . 16006 1 57 . LYS . 16006 1 58 . TYR . 16006 1 59 . VAL . 16006 1 60 . ILE . 16006 1 61 . GLU . 16006 1 62 . LYS . 16006 1 63 . GLY . 16006 1 64 . ASP . 16006 1 65 . LEU . 16006 1 66 . VAL . 16006 1 67 . THR . 16006 1 68 . PHE . 16006 1 69 . PRO . 16006 1 70 . LYS . 16006 1 71 . GLY . 16006 1 72 . LEU . 16006 1 73 . ARG . 16006 1 74 . CYS . 16006 1 75 . ARG . 16006 1 76 . TRP . 16006 1 77 . LYS . 16006 1 78 . VAL . 16006 1 79 . LEU . 16006 1 80 . GLU . 16006 1 81 . PRO . 16006 1 82 . VAL . 16006 1 83 . ARG . 16006 1 84 . LYS . 16006 1 85 . HIS . 16006 1 86 . TYR . 16006 1 87 . ASN . 16006 1 88 . LEU . 16006 1 89 . PHE . 16006 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 16006 1 . GLU 2 2 16006 1 . VAL 3 3 16006 1 . LYS 4 4 16006 1 . ILE 5 5 16006 1 . GLU 6 6 16006 1 . LYS 7 7 16006 1 . PRO 8 8 16006 1 . THR 9 9 16006 1 . PRO 10 10 16006 1 . GLU 11 11 16006 1 . LYS 12 12 16006 1 . LEU 13 13 16006 1 . LYS 14 14 16006 1 . GLU 15 15 16006 1 . LEU 16 16 16006 1 . SER 17 17 16006 1 . VAL 18 18 16006 1 . GLU 19 19 16006 1 . LYS 20 20 16006 1 . TRP 21 21 16006 1 . PRO 22 22 16006 1 . ILE 23 23 16006 1 . TRP 24 24 16006 1 . GLU 25 25 16006 1 . LYS 26 26 16006 1 . GLU 27 27 16006 1 . VAL 28 28 16006 1 . SER 29 29 16006 1 . GLU 30 30 16006 1 . PHE 31 31 16006 1 . ASP 32 32 16006 1 . TRP 33 33 16006 1 . TYR 34 34 16006 1 . TYR 35 35 16006 1 . ASP 36 36 16006 1 . THR 37 37 16006 1 . ASN 38 38 16006 1 . GLU 39 39 16006 1 . THR 40 40 16006 1 . CYS 41 41 16006 1 . TYR 42 42 16006 1 . ILE 43 43 16006 1 . LEU 44 44 16006 1 . GLU 45 45 16006 1 . GLY 46 46 16006 1 . LYS 47 47 16006 1 . VAL 48 48 16006 1 . GLU 49 49 16006 1 . VAL 50 50 16006 1 . THR 51 51 16006 1 . THR 52 52 16006 1 . GLU 53 53 16006 1 . ASP 54 54 16006 1 . GLY 55 55 16006 1 . LYS 56 56 16006 1 . LYS 57 57 16006 1 . TYR 58 58 16006 1 . VAL 59 59 16006 1 . ILE 60 60 16006 1 . GLU 61 61 16006 1 . LYS 62 62 16006 1 . GLY 63 63 16006 1 . ASP 64 64 16006 1 . LEU 65 65 16006 1 . VAL 66 66 16006 1 . THR 67 67 16006 1 . PHE 68 68 16006 1 . PRO 69 69 16006 1 . LYS 70 70 16006 1 . GLY 71 71 16006 1 . LEU 72 72 16006 1 . ARG 73 73 16006 1 . CYS 74 74 16006 1 . ARG 75 75 16006 1 . TRP 76 76 16006 1 . LYS 77 77 16006 1 . VAL 78 78 16006 1 . LEU 79 79 16006 1 . GLU 80 80 16006 1 . PRO 81 81 16006 1 . VAL 82 82 16006 1 . ARG 83 83 16006 1 . LYS 84 84 16006 1 . HIS 85 85 16006 1 . TYR 86 86 16006 1 . ASN 87 87 16006 1 . LEU 88 88 16006 1 . PHE 89 89 16006 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 16006 _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 $TM1112 . 2336 organism . 'Thermotoga maritima' 'Thermotoga maritima' . . Bacteria Thermotogae Thermotoga maritima . . . . . . . . . . . . . . . . . . . . . 16006 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 16006 _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 $TM1112 . 'recombinant technology' 'Escherichia coli' 'E. Coli' . 562 Escherichia coli 'Rosseta DE3' . . . . . . . . . . . . . . . pET25b . . . . . . 16006 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16006 _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 TM1112 '[U-98% 13C; U-98% 15N]' . . 1 $TM1112 . . 1.3 . . mM . . . . 16006 1 2 D10-DTT 'natural abundance' . . . . . . 4.5 . . mM . . . . 16006 1 3 DTT 'natural abundance' . . . . . . 0.5 . . mM . . . . 16006 1 4 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 16006 1 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16006 1 6 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 16006 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16006 1 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16006 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 16006 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 . M 16006 1 pH 6.8 . pH 16006 1 pressure 1 . atm 16006 1 temperature 298 . K 16006 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16006 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16006 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16006 1 refinement 16006 1 stop_ save_ save_molmol _Software.Sf_category software _Software.Sf_framecode molmol _Software.Entry_ID 16006 _Software.ID 2 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 16006 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16006 2 stop_ save_ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 16006 _Software.ID 3 _Software.Name OPAL _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 16006 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16006 3 stop_ save_ save_ASCAN _Software.Sf_category software _Software.Sf_framecode ASCAN _Software.Entry_ID 16006 _Software.ID 4 _Software.Name ASCAN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'ASCAN Fiorito, Herrmann, Damberger and Wuthrich' . . 16006 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16006 4 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16006 _Software.ID 5 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 16006 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16006 5 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16006 _Software.ID 6 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16006 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16006 6 'data analysis' 16006 6 stop_ save_ save_MATCH _Software.Sf_category software _Software.Sf_framecode MATCH _Software.Entry_ID 16006 _Software.ID 7 _Software.Name MATCH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Volk, Herrmann and Wuthrich' . . 16006 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16006 7 stop_ save_ save_ATNOS-CANDID _Software.Sf_category software _Software.Sf_framecode ATNOS-CANDID _Software.Entry_ID 16006 _Software.ID 8 _Software.Name ATHNOS-CANDID _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 16006 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16006 8 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 16006 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16006 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16006 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 16006 1 2 spectrometer_2 Bruker Avance . 600 . . . 16006 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 16006 _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 [15N,1H] HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16006 1 2 '2D [13C,1H] HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16006 1 3 4D-APSY-HACANH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16006 1 4 5D-APSY-HACACONH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16006 1 5 5D-APSY-CBCACONH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16006 1 6 '3D 15N - resolved [1H,1H] NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16006 1 7 '3D 13C-resolved [1H,1H] NOESY, aromatic 13C' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16006 1 8 '3D 13C-resolved [1H,1H] NOESY, aliphatic 13C' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16006 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_ref1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode ref1 _Chem_shift_reference.Entry_ID 16006 _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 . indirect 0.251449530 . . . . . . . . . 16006 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 16006 1 N 15 DSS 'methyl protons' . . . . ppm 0 . indirect 0.101329118 . . . . . . . . . 16006 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 16006 _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 $ref1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.200 _Assigned_chem_shift_list.Chem_shift_15N_err 0.200 _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 [15N,1H] HSQC' . . . 16006 1 2 '2D [13C,1H] HSQC' . . . 16006 1 3 4D-APSY-HACANH . . . 16006 1 4 5D-APSY-HACACONH . . . 16006 1 5 5D-APSY-CBCACONH . . . 16006 1 6 '3D 15N - resolved [1H,1H] NOESY' . . . 16006 1 7 '3D 13C-resolved [1H,1H] NOESY, aromatic 13C' . . . 16006 1 8 '3D 13C-resolved [1H,1H] NOESY, aliphatic 13C' . . . 16006 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $ASCAN . . 16006 1 5 $CARA . . 16006 1 7 $MATCH . . 16006 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HE1 H 1 2.067 0.01 . 1 . . . . 1 MET HE1 . 16006 1 2 . 1 1 1 1 MET HE2 H 1 2.067 0.01 . 1 . . . . 1 MET HE2 . 16006 1 3 . 1 1 1 1 MET HE3 H 1 2.067 0.01 . 1 . . . . 1 MET HE3 . 16006 1 4 . 1 1 1 1 MET CE C 13 17.541 0.200 . 1 . . . . 1 MET CE . 16006 1 5 . 1 1 2 2 GLU HA H 1 4.519 0.01 . 1 . . . . 2 GLU HA . 16006 1 6 . 1 1 2 2 GLU HB2 H 1 1.968 0.01 . 2 . . . . 2 GLU HB2 . 16006 1 7 . 1 1 2 2 GLU HB3 H 1 1.804 0.01 . 2 . . . . 2 GLU HB3 . 16006 1 8 . 1 1 2 2 GLU HG2 H 1 2.134 0.01 . 2 . . . . 2 GLU HG2 . 16006 1 9 . 1 1 2 2 GLU HG3 H 1 2.134 0.01 . 2 . . . . 2 GLU HG3 . 16006 1 10 . 1 1 2 2 GLU C C 13 174.820 0.080 . 1 . . . . 2 GLU C . 16006 1 11 . 1 1 2 2 GLU CA C 13 55.400 0.200 . 1 . . . . 2 GLU CA . 16006 1 12 . 1 1 2 2 GLU CB C 13 32.487 0.200 . 1 . . . . 2 GLU CB . 16006 1 13 . 1 1 2 2 GLU CG C 13 36.125 0.200 . 1 . . . . 2 GLU CG . 16006 1 14 . 1 1 3 3 VAL H H 1 6.919 0.01 . 1 . . . . 3 VAL H . 16006 1 15 . 1 1 3 3 VAL HA H 1 3.610 0.01 . 1 . . . . 3 VAL HA . 16006 1 16 . 1 1 3 3 VAL HB H 1 0.310 0.01 . 1 . . . . 3 VAL HB . 16006 1 17 . 1 1 3 3 VAL HG11 H 1 -0.255 0.01 . 2 . . . . 3 VAL HG11 . 16006 1 18 . 1 1 3 3 VAL HG12 H 1 -0.255 0.01 . 2 . . . . 3 VAL HG12 . 16006 1 19 . 1 1 3 3 VAL HG13 H 1 -0.255 0.01 . 2 . . . . 3 VAL HG13 . 16006 1 20 . 1 1 3 3 VAL HG21 H 1 0.416 0.01 . 2 . . . . 3 VAL HG21 . 16006 1 21 . 1 1 3 3 VAL HG22 H 1 0.416 0.01 . 2 . . . . 3 VAL HG22 . 16006 1 22 . 1 1 3 3 VAL HG23 H 1 0.416 0.01 . 2 . . . . 3 VAL HG23 . 16006 1 23 . 1 1 3 3 VAL C C 13 174.250 0.080 . 1 . . . . 3 VAL C . 16006 1 24 . 1 1 3 3 VAL CA C 13 62.230 0.200 . 1 . . . . 3 VAL CA . 16006 1 25 . 1 1 3 3 VAL CB C 13 32.236 0.200 . 1 . . . . 3 VAL CB . 16006 1 26 . 1 1 3 3 VAL CG1 C 13 20.911 0.200 . 2 . . . . 3 VAL CG1 . 16006 1 27 . 1 1 3 3 VAL CG2 C 13 23.058 0.200 . 2 . . . . 3 VAL CG2 . 16006 1 28 . 1 1 3 3 VAL N N 15 122.180 0.200 . 1 . . . . 3 VAL N . 16006 1 29 . 1 1 4 4 LYS H H 1 7.606 0.01 . 1 . . . . 4 LYS H . 16006 1 30 . 1 1 4 4 LYS HA H 1 4.382 0.01 . 1 . . . . 4 LYS HA . 16006 1 31 . 1 1 4 4 LYS HB2 H 1 1.557 0.01 . 2 . . . . 4 LYS HB2 . 16006 1 32 . 1 1 4 4 LYS HB3 H 1 1.680 0.01 . 2 . . . . 4 LYS HB3 . 16006 1 33 . 1 1 4 4 LYS HD2 H 1 1.462 0.01 . 2 . . . . 4 LYS HD2 . 16006 1 34 . 1 1 4 4 LYS HD3 H 1 1.462 0.01 . 2 . . . . 4 LYS HD3 . 16006 1 35 . 1 1 4 4 LYS HE2 H 1 2.755 0.01 . 2 . . . . 4 LYS HE2 . 16006 1 36 . 1 1 4 4 LYS HE3 H 1 2.755 0.01 . 2 . . . . 4 LYS HE3 . 16006 1 37 . 1 1 4 4 LYS HG2 H 1 1.323 0.01 . 2 . . . . 4 LYS HG2 . 16006 1 38 . 1 1 4 4 LYS HG3 H 1 1.207 0.01 . 2 . . . . 4 LYS HG3 . 16006 1 39 . 1 1 4 4 LYS C C 13 174.510 0.080 . 1 . . . . 4 LYS C . 16006 1 40 . 1 1 4 4 LYS CA C 13 55.100 0.200 . 1 . . . . 4 LYS CA . 16006 1 41 . 1 1 4 4 LYS CB C 13 34.550 0.200 . 1 . . . . 4 LYS CB . 16006 1 42 . 1 1 4 4 LYS CD C 13 29.309 0.200 . 1 . . . . 4 LYS CD . 16006 1 43 . 1 1 4 4 LYS CE C 13 42.170 0.200 . 1 . . . . 4 LYS CE . 16006 1 44 . 1 1 4 4 LYS CG C 13 24.919 0.200 . 1 . . . . 4 LYS CG . 16006 1 45 . 1 1 4 4 LYS N N 15 127.440 0.200 . 1 . . . . 4 LYS N . 16006 1 46 . 1 1 5 5 ILE H H 1 8.361 0.01 . 1 . . . . 5 ILE H . 16006 1 47 . 1 1 5 5 ILE HA H 1 4.452 0.01 . 1 . . . . 5 ILE HA . 16006 1 48 . 1 1 5 5 ILE HB H 1 1.517 0.01 . 1 . . . . 5 ILE HB . 16006 1 49 . 1 1 5 5 ILE HD11 H 1 0.729 0.01 . 1 . . . . 5 ILE HD11 . 16006 1 50 . 1 1 5 5 ILE HD12 H 1 0.729 0.01 . 1 . . . . 5 ILE HD12 . 16006 1 51 . 1 1 5 5 ILE HD13 H 1 0.729 0.01 . 1 . . . . 5 ILE HD13 . 16006 1 52 . 1 1 5 5 ILE HG12 H 1 0.593 0.01 . 2 . . . . 5 ILE HG12 . 16006 1 53 . 1 1 5 5 ILE HG13 H 1 1.214 0.01 . 2 . . . . 5 ILE HG13 . 16006 1 54 . 1 1 5 5 ILE HG21 H 1 0.731 0.01 . 1 . . . . 5 ILE HG21 . 16006 1 55 . 1 1 5 5 ILE HG22 H 1 0.731 0.01 . 1 . . . . 5 ILE HG22 . 16006 1 56 . 1 1 5 5 ILE HG23 H 1 0.731 0.01 . 1 . . . . 5 ILE HG23 . 16006 1 57 . 1 1 5 5 ILE C C 13 175.080 0.080 . 1 . . . . 5 ILE C . 16006 1 58 . 1 1 5 5 ILE CA C 13 61.530 0.200 . 1 . . . . 5 ILE CA . 16006 1 59 . 1 1 5 5 ILE CB C 13 40.925 0.200 . 1 . . . . 5 ILE CB . 16006 1 60 . 1 1 5 5 ILE CD1 C 13 15.173 0.200 . 1 . . . . 5 ILE CD1 . 16006 1 61 . 1 1 5 5 ILE CG1 C 13 28.659 0.200 . 1 . . . . 5 ILE CG1 . 16006 1 62 . 1 1 5 5 ILE CG2 C 13 17.989 0.200 . 1 . . . . 5 ILE CG2 . 16006 1 63 . 1 1 5 5 ILE N N 15 124.694 0.200 . 1 . . . . 5 ILE N . 16006 1 64 . 1 1 6 6 GLU H H 1 9.094 0.01 . 1 . . . . 6 GLU H . 16006 1 65 . 1 1 6 6 GLU HA H 1 4.706 0.01 . 1 . . . . 6 GLU HA . 16006 1 66 . 1 1 6 6 GLU HB2 H 1 1.969 0.01 . 2 . . . . 6 GLU HB2 . 16006 1 67 . 1 1 6 6 GLU HB3 H 1 1.969 0.01 . 2 . . . . 6 GLU HB3 . 16006 1 68 . 1 1 6 6 GLU HG2 H 1 1.951 0.01 . 2 . . . . 6 GLU HG2 . 16006 1 69 . 1 1 6 6 GLU HG3 H 1 2.075 0.01 . 2 . . . . 6 GLU HG3 . 16006 1 70 . 1 1 6 6 GLU C C 13 173.820 0.080 . 1 . . . . 6 GLU C . 16006 1 71 . 1 1 6 6 GLU CA C 13 54.220 0.200 . 1 . . . . 6 GLU CA . 16006 1 72 . 1 1 6 6 GLU CB C 13 34.405 0.200 . 1 . . . . 6 GLU CB . 16006 1 73 . 1 1 6 6 GLU CG C 13 37.110 0.200 . 1 . . . . 6 GLU CG . 16006 1 74 . 1 1 6 6 GLU N N 15 127.170 0.200 . 1 . . . . 6 GLU N . 16006 1 75 . 1 1 7 7 LYS H H 1 8.557 0.01 . 1 . . . . 7 LYS H . 16006 1 76 . 1 1 7 7 LYS HA H 1 5.262 0.01 . 1 . . . . 7 LYS HA . 16006 1 77 . 1 1 7 7 LYS HB2 H 1 1.791 0.01 . 2 . . . . 7 LYS HB2 . 16006 1 78 . 1 1 7 7 LYS HB3 H 1 1.791 0.01 . 2 . . . . 7 LYS HB3 . 16006 1 79 . 1 1 7 7 LYS HD2 H 1 1.558 0.01 . 2 . . . . 7 LYS HD2 . 16006 1 80 . 1 1 7 7 LYS HD3 H 1 1.651 0.01 . 2 . . . . 7 LYS HD3 . 16006 1 81 . 1 1 7 7 LYS HE2 H 1 2.849 0.01 . 2 . . . . 7 LYS HE2 . 16006 1 82 . 1 1 7 7 LYS HE3 H 1 2.849 0.01 . 2 . . . . 7 LYS HE3 . 16006 1 83 . 1 1 7 7 LYS HG2 H 1 1.491 0.01 . 2 . . . . 7 LYS HG2 . 16006 1 84 . 1 1 7 7 LYS HG3 H 1 1.372 0.01 . 2 . . . . 7 LYS HG3 . 16006 1 85 . 1 1 7 7 LYS C C 13 176.800 0.080 . 1 . . . . 7 LYS C . 16006 1 86 . 1 1 7 7 LYS CA C 13 52.459 0.200 . 1 . . . . 7 LYS CA . 16006 1 87 . 1 1 7 7 LYS CB C 13 31.887 0.200 . 1 . . . . 7 LYS CB . 16006 1 88 . 1 1 7 7 LYS CD C 13 29.129 0.200 . 1 . . . . 7 LYS CD . 16006 1 89 . 1 1 7 7 LYS CE C 13 42.434 0.200 . 1 . . . . 7 LYS CE . 16006 1 90 . 1 1 7 7 LYS CG C 13 24.731 0.200 . 1 . . . . 7 LYS CG . 16006 1 91 . 1 1 7 7 LYS N N 15 121.900 0.200 . 1 . . . . 7 LYS N . 16006 1 92 . 1 1 8 8 PRO HB2 H 1 1.966 0.01 . 2 . . . . 8 PRO HB2 . 16006 1 93 . 1 1 8 8 PRO HB3 H 1 1.864 0.01 . 2 . . . . 8 PRO HB3 . 16006 1 94 . 1 1 8 8 PRO HD2 H 1 4.411 0.01 . 2 . . . . 8 PRO HD2 . 16006 1 95 . 1 1 8 8 PRO HD3 H 1 3.838 0.01 . 2 . . . . 8 PRO HD3 . 16006 1 96 . 1 1 8 8 PRO HG2 H 1 1.966 0.01 . 2 . . . . 8 PRO HG2 . 16006 1 97 . 1 1 8 8 PRO HG3 H 1 1.857 0.01 . 2 . . . . 8 PRO HG3 . 16006 1 98 . 1 1 8 8 PRO CB C 13 32.450 0.200 . 1 . . . . 8 PRO CB . 16006 1 99 . 1 1 8 8 PRO CD C 13 51.243 0.200 . 1 . . . . 8 PRO CD . 16006 1 100 . 1 1 8 8 PRO CG C 13 27.900 0.200 . 1 . . . . 8 PRO CG . 16006 1 101 . 1 1 9 9 THR H H 1 7.769 0.01 . 1 . . . . 9 THR H . 16006 1 102 . 1 1 9 9 THR HA H 1 4.593 0.01 . 1 . . . . 9 THR HA . 16006 1 103 . 1 1 9 9 THR HB H 1 3.830 0.01 . 1 . . . . 9 THR HB . 16006 1 104 . 1 1 9 9 THR HG21 H 1 1.365 0.01 . 1 . . . . 9 THR HG21 . 16006 1 105 . 1 1 9 9 THR HG22 H 1 1.365 0.01 . 1 . . . . 9 THR HG22 . 16006 1 106 . 1 1 9 9 THR HG23 H 1 1.365 0.01 . 1 . . . . 9 THR HG23 . 16006 1 107 . 1 1 9 9 THR C C 13 179.820 0.080 . 1 . . . . 9 THR C . 16006 1 108 . 1 1 9 9 THR CA C 13 59.550 0.200 . 1 . . . . 9 THR CA . 16006 1 109 . 1 1 9 9 THR CB C 13 60.425 0.200 . 1 . . . . 9 THR CB . 16006 1 110 . 1 1 9 9 THR CG2 C 13 22.482 0.200 . 1 . . . . 9 THR CG2 . 16006 1 111 . 1 1 9 9 THR N N 15 111.420 0.200 . 1 . . . . 9 THR N . 16006 1 112 . 1 1 10 10 PRO HA H 1 4.037 0.01 . 1 . . . . 10 PRO HA . 16006 1 113 . 1 1 10 10 PRO HB2 H 1 2.282 0.01 . 2 . . . . 10 PRO HB2 . 16006 1 114 . 1 1 10 10 PRO HB3 H 1 1.797 0.01 . 2 . . . . 10 PRO HB3 . 16006 1 115 . 1 1 10 10 PRO HD2 H 1 3.843 0.01 . 2 . . . . 10 PRO HD2 . 16006 1 116 . 1 1 10 10 PRO HD3 H 1 3.843 0.01 . 2 . . . . 10 PRO HD3 . 16006 1 117 . 1 1 10 10 PRO HG2 H 1 1.973 0.01 . 2 . . . . 10 PRO HG2 . 16006 1 118 . 1 1 10 10 PRO HG3 H 1 2.150 0.01 . 2 . . . . 10 PRO HG3 . 16006 1 119 . 1 1 10 10 PRO CA C 13 65.124 0.200 . 1 . . . . 10 PRO CA . 16006 1 120 . 1 1 10 10 PRO CB C 13 32.035 0.200 . 1 . . . . 10 PRO CB . 16006 1 121 . 1 1 10 10 PRO CD C 13 50.564 0.200 . 1 . . . . 10 PRO CD . 16006 1 122 . 1 1 10 10 PRO CG C 13 28.152 0.200 . 1 . . . . 10 PRO CG . 16006 1 123 . 1 1 11 11 GLU H H 1 8.588 0.01 . 1 . . . . 11 GLU H . 16006 1 124 . 1 1 11 11 GLU HA H 1 3.830 0.01 . 1 . . . . 11 GLU HA . 16006 1 125 . 1 1 11 11 GLU HB2 H 1 1.973 0.01 . 2 . . . . 11 GLU HB2 . 16006 1 126 . 1 1 11 11 GLU HB3 H 1 1.840 0.01 . 2 . . . . 11 GLU HB3 . 16006 1 127 . 1 1 11 11 GLU HG2 H 1 2.152 0.01 . 2 . . . . 11 GLU HG2 . 16006 1 128 . 1 1 11 11 GLU HG3 H 1 2.373 0.01 . 2 . . . . 11 GLU HG3 . 16006 1 129 . 1 1 11 11 GLU C C 13 178.720 0.080 . 1 . . . . 11 GLU C . 16006 1 130 . 1 1 11 11 GLU CA C 13 60.450 0.200 . 1 . . . . 11 GLU CA . 16006 1 131 . 1 1 11 11 GLU CB C 13 28.714 0.200 . 1 . . . . 11 GLU CB . 16006 1 132 . 1 1 11 11 GLU CG C 13 37.328 0.200 . 1 . . . . 11 GLU CG . 16006 1 133 . 1 1 11 11 GLU N N 15 116.990 0.200 . 1 . . . . 11 GLU N . 16006 1 134 . 1 1 12 12 LYS H H 1 7.747 0.01 . 1 . . . . 12 LYS H . 16006 1 135 . 1 1 12 12 LYS HA H 1 4.029 0.01 . 1 . . . . 12 LYS HA . 16006 1 136 . 1 1 12 12 LYS HB2 H 1 1.861 0.01 . 2 . . . . 12 LYS HB2 . 16006 1 137 . 1 1 12 12 LYS HB3 H 1 1.792 0.01 . 2 . . . . 12 LYS HB3 . 16006 1 138 . 1 1 12 12 LYS HD2 H 1 1.542 0.01 . 2 . . . . 12 LYS HD2 . 16006 1 139 . 1 1 12 12 LYS HD3 H 1 1.542 0.01 . 2 . . . . 12 LYS HD3 . 16006 1 140 . 1 1 12 12 LYS HE2 H 1 2.757 0.01 . 2 . . . . 12 LYS HE2 . 16006 1 141 . 1 1 12 12 LYS HE3 H 1 2.757 0.01 . 2 . . . . 12 LYS HE3 . 16006 1 142 . 1 1 12 12 LYS HG2 H 1 1.322 0.01 . 2 . . . . 12 LYS HG2 . 16006 1 143 . 1 1 12 12 LYS HG3 H 1 1.200 0.01 . 2 . . . . 12 LYS HG3 . 16006 1 144 . 1 1 12 12 LYS C C 13 178.290 0.080 . 1 . . . . 12 LYS C . 16006 1 145 . 1 1 12 12 LYS CA C 13 58.150 0.200 . 1 . . . . 12 LYS CA . 16006 1 146 . 1 1 12 12 LYS CB C 13 31.735 0.200 . 1 . . . . 12 LYS CB . 16006 1 147 . 1 1 12 12 LYS CD C 13 29.370 0.200 . 1 . . . . 12 LYS CD . 16006 1 148 . 1 1 12 12 LYS CE C 13 42.044 0.200 . 1 . . . . 12 LYS CE . 16006 1 149 . 1 1 12 12 LYS CG C 13 24.766 0.200 . 1 . . . . 12 LYS CG . 16006 1 150 . 1 1 12 12 LYS N N 15 123.270 0.200 . 1 . . . . 12 LYS N . 16006 1 151 . 1 1 13 13 LEU H H 1 7.590 0.01 . 1 . . . . 13 LEU H . 16006 1 152 . 1 1 13 13 LEU HA H 1 3.518 0.01 . 1 . . . . 13 LEU HA . 16006 1 153 . 1 1 13 13 LEU HB2 H 1 1.607 0.01 . 2 . . . . 13 LEU HB2 . 16006 1 154 . 1 1 13 13 LEU HB3 H 1 0.968 0.01 . 2 . . . . 13 LEU HB3 . 16006 1 155 . 1 1 13 13 LEU HD11 H 1 0.346 0.01 . 2 . . . . 13 LEU HD11 . 16006 1 156 . 1 1 13 13 LEU HD12 H 1 0.346 0.01 . 2 . . . . 13 LEU HD12 . 16006 1 157 . 1 1 13 13 LEU HD13 H 1 0.346 0.01 . 2 . . . . 13 LEU HD13 . 16006 1 158 . 1 1 13 13 LEU HD21 H 1 -0.013 0.01 . 2 . . . . 13 LEU HD21 . 16006 1 159 . 1 1 13 13 LEU HD22 H 1 -0.013 0.01 . 2 . . . . 13 LEU HD22 . 16006 1 160 . 1 1 13 13 LEU HD23 H 1 -0.013 0.01 . 2 . . . . 13 LEU HD23 . 16006 1 161 . 1 1 13 13 LEU HG H 1 1.316 0.01 . 1 . . . . 13 LEU HG . 16006 1 162 . 1 1 13 13 LEU C C 13 180.020 0.080 . 1 . . . . 13 LEU C . 16006 1 163 . 1 1 13 13 LEU CA C 13 57.760 0.200 . 1 . . . . 13 LEU CA . 16006 1 164 . 1 1 13 13 LEU CB C 13 41.351 0.200 . 1 . . . . 13 LEU CB . 16006 1 165 . 1 1 13 13 LEU CD1 C 13 25.429 0.200 . 2 . . . . 13 LEU CD1 . 16006 1 166 . 1 1 13 13 LEU CD2 C 13 22.395 0.200 . 2 . . . . 13 LEU CD2 . 16006 1 167 . 1 1 13 13 LEU CG C 13 26.526 0.200 . 1 . . . . 13 LEU CG . 16006 1 168 . 1 1 13 13 LEU N N 15 116.860 0.200 . 1 . . . . 13 LEU N . 16006 1 169 . 1 1 14 14 LYS H H 1 7.530 0.01 . 1 . . . . 14 LYS H . 16006 1 170 . 1 1 14 14 LYS HA H 1 3.936 0.01 . 1 . . . . 14 LYS HA . 16006 1 171 . 1 1 14 14 LYS HB2 H 1 1.767 0.01 . 2 . . . . 14 LYS HB2 . 16006 1 172 . 1 1 14 14 LYS HB3 H 1 1.789 0.01 . 2 . . . . 14 LYS HB3 . 16006 1 173 . 1 1 14 14 LYS HD2 H 1 1.628 0.01 . 2 . . . . 14 LYS HD2 . 16006 1 174 . 1 1 14 14 LYS HD3 H 1 1.549 0.01 . 2 . . . . 14 LYS HD3 . 16006 1 175 . 1 1 14 14 LYS HE2 H 1 2.847 0.01 . 2 . . . . 14 LYS HE2 . 16006 1 176 . 1 1 14 14 LYS HE3 H 1 2.847 0.01 . 2 . . . . 14 LYS HE3 . 16006 1 177 . 1 1 14 14 LYS HG2 H 1 1.369 0.01 . 2 . . . . 14 LYS HG2 . 16006 1 178 . 1 1 14 14 LYS HG3 H 1 1.287 0.01 . 2 . . . . 14 LYS HG3 . 16006 1 179 . 1 1 14 14 LYS C C 13 179.610 0.080 . 1 . . . . 14 LYS C . 16006 1 180 . 1 1 14 14 LYS CA C 13 58.852 0.200 . 1 . . . . 14 LYS CA . 16006 1 181 . 1 1 14 14 LYS CB C 13 32.260 0.200 . 1 . . . . 14 LYS CB . 16006 1 182 . 1 1 14 14 LYS CD C 13 29.232 0.200 . 1 . . . . 14 LYS CD . 16006 1 183 . 1 1 14 14 LYS CE C 13 42.182 0.200 . 1 . . . . 14 LYS CE . 16006 1 184 . 1 1 14 14 LYS CG C 13 24.962 0.200 . 1 . . . . 14 LYS CG . 16006 1 185 . 1 1 14 14 LYS N N 15 118.900 0.200 . 1 . . . . 14 LYS N . 16006 1 186 . 1 1 15 15 GLU H H 1 7.941 0.01 . 1 . . . . 15 GLU H . 16006 1 187 . 1 1 15 15 GLU HA H 1 3.869 0.01 . 1 . . . . 15 GLU HA . 16006 1 188 . 1 1 15 15 GLU HB2 H 1 2.091 0.01 . 2 . . . . 15 GLU HB2 . 16006 1 189 . 1 1 15 15 GLU HB3 H 1 2.040 0.01 . 2 . . . . 15 GLU HB3 . 16006 1 190 . 1 1 15 15 GLU HG2 H 1 2.273 0.01 . 2 . . . . 15 GLU HG2 . 16006 1 191 . 1 1 15 15 GLU HG3 H 1 2.100 0.01 . 2 . . . . 15 GLU HG3 . 16006 1 192 . 1 1 15 15 GLU C C 13 178.700 0.080 . 1 . . . . 15 GLU C . 16006 1 193 . 1 1 15 15 GLU CA C 13 59.080 0.200 . 1 . . . . 15 GLU CA . 16006 1 194 . 1 1 15 15 GLU CB C 13 29.824 0.200 . 1 . . . . 15 GLU CB . 16006 1 195 . 1 1 15 15 GLU CG C 13 36.210 0.200 . 1 . . . . 15 GLU CG . 16006 1 196 . 1 1 15 15 GLU N N 15 121.830 0.200 . 1 . . . . 15 GLU N . 16006 1 197 . 1 1 16 16 LEU H H 1 7.672 0.01 . 1 . . . . 16 LEU H . 16006 1 198 . 1 1 16 16 LEU HA H 1 4.061 0.01 . 1 . . . . 16 LEU HA . 16006 1 199 . 1 1 16 16 LEU HB2 H 1 1.417 0.01 . 2 . . . . 16 LEU HB2 . 16006 1 200 . 1 1 16 16 LEU HB3 H 1 1.360 0.01 . 2 . . . . 16 LEU HB3 . 16006 1 201 . 1 1 16 16 LEU HD11 H 1 0.643 0.01 . 2 . . . . 16 LEU HD11 . 16006 1 202 . 1 1 16 16 LEU HD12 H 1 0.643 0.01 . 2 . . . . 16 LEU HD12 . 16006 1 203 . 1 1 16 16 LEU HD13 H 1 0.643 0.01 . 2 . . . . 16 LEU HD13 . 16006 1 204 . 1 1 16 16 LEU HD21 H 1 0.802 0.01 . 2 . . . . 16 LEU HD21 . 16006 1 205 . 1 1 16 16 LEU HD22 H 1 0.802 0.01 . 2 . . . . 16 LEU HD22 . 16006 1 206 . 1 1 16 16 LEU HD23 H 1 0.802 0.01 . 2 . . . . 16 LEU HD23 . 16006 1 207 . 1 1 16 16 LEU C C 13 176.370 0.080 . 1 . . . . 16 LEU C . 16006 1 208 . 1 1 16 16 LEU CA C 13 55.400 0.200 . 1 . . . . 16 LEU CA . 16006 1 209 . 1 1 16 16 LEU CB C 13 44.064 0.200 . 1 . . . . 16 LEU CB . 16006 1 210 . 1 1 16 16 LEU CD1 C 13 26.317 0.200 . 2 . . . . 16 LEU CD1 . 16006 1 211 . 1 1 16 16 LEU CD2 C 13 22.637 0.200 . 2 . . . . 16 LEU CD2 . 16006 1 212 . 1 1 16 16 LEU N N 15 117.050 0.200 . 1 . . . . 16 LEU N . 16006 1 213 . 1 1 17 17 SER H H 1 7.496 0.01 . 1 . . . . 17 SER H . 16006 1 214 . 1 1 17 17 SER HA H 1 3.860 0.01 . 1 . . . . 17 SER HA . 16006 1 215 . 1 1 17 17 SER HB2 H 1 3.863 0.01 . 2 . . . . 17 SER HB2 . 16006 1 216 . 1 1 17 17 SER HB3 H 1 3.941 0.01 . 2 . . . . 17 SER HB3 . 16006 1 217 . 1 1 17 17 SER C C 13 174.660 0.080 . 1 . . . . 17 SER C . 16006 1 218 . 1 1 17 17 SER CA C 13 58.380 0.200 . 1 . . . . 17 SER CA . 16006 1 219 . 1 1 17 17 SER CB C 13 61.570 0.200 . 1 . . . . 17 SER CB . 16006 1 220 . 1 1 17 17 SER N N 15 110.640 0.200 . 1 . . . . 17 SER N . 16006 1 221 . 1 1 18 18 VAL H H 1 6.475 0.01 . 1 . . . . 18 VAL H . 16006 1 222 . 1 1 18 18 VAL HA H 1 1.105 0.01 . 1 . . . . 18 VAL HA . 16006 1 223 . 1 1 18 18 VAL HB H 1 0.874 0.01 . 1 . . . . 18 VAL HB . 16006 1 224 . 1 1 18 18 VAL HG11 H 1 -0.126 0.01 . 2 . . . . 18 VAL HG11 . 16006 1 225 . 1 1 18 18 VAL HG12 H 1 -0.126 0.01 . 2 . . . . 18 VAL HG12 . 16006 1 226 . 1 1 18 18 VAL HG13 H 1 -0.126 0.01 . 2 . . . . 18 VAL HG13 . 16006 1 227 . 1 1 18 18 VAL HG21 H 1 -0.126 0.01 . 2 . . . . 18 VAL HG21 . 16006 1 228 . 1 1 18 18 VAL HG22 H 1 -0.126 0.01 . 2 . . . . 18 VAL HG22 . 16006 1 229 . 1 1 18 18 VAL HG23 H 1 -0.126 0.01 . 2 . . . . 18 VAL HG23 . 16006 1 230 . 1 1 18 18 VAL C C 13 175.800 0.080 . 1 . . . . 18 VAL C . 16006 1 231 . 1 1 18 18 VAL CA C 13 63.300 0.200 . 1 . . . . 18 VAL CA . 16006 1 232 . 1 1 18 18 VAL CB C 13 31.226 0.200 . 1 . . . . 18 VAL CB . 16006 1 233 . 1 1 18 18 VAL CG2 C 13 21.366 0.200 . 2 . . . . 18 VAL CG2 . 16006 1 234 . 1 1 18 18 VAL N N 15 114.240 0.200 . 1 . . . . 18 VAL N . 16006 1 235 . 1 1 19 19 GLU H H 1 8.230 0.01 . 1 . . . . 19 GLU H . 16006 1 236 . 1 1 19 19 GLU HA H 1 3.307 0.01 . 1 . . . . 19 GLU HA . 16006 1 237 . 1 1 19 19 GLU HB2 H 1 1.768 0.01 . 2 . . . . 19 GLU HB2 . 16006 1 238 . 1 1 19 19 GLU HB3 H 1 1.768 0.01 . 2 . . . . 19 GLU HB3 . 16006 1 239 . 1 1 19 19 GLU HG2 H 1 1.939 0.01 . 2 . . . . 19 GLU HG2 . 16006 1 240 . 1 1 19 19 GLU HG3 H 1 2.009 0.01 . 2 . . . . 19 GLU HG3 . 16006 1 241 . 1 1 19 19 GLU C C 13 177.180 0.080 . 1 . . . . 19 GLU C . 16006 1 242 . 1 1 19 19 GLU CA C 13 57.550 0.200 . 1 . . . . 19 GLU CA . 16006 1 243 . 1 1 19 19 GLU CB C 13 28.359 0.200 . 1 . . . . 19 GLU CB . 16006 1 244 . 1 1 19 19 GLU CG C 13 36.268 0.200 . 1 . . . . 19 GLU CG . 16006 1 245 . 1 1 19 19 GLU N N 15 114.720 0.200 . 1 . . . . 19 GLU N . 16006 1 246 . 1 1 20 20 LYS H H 1 7.448 0.01 . 1 . . . . 20 LYS H . 16006 1 247 . 1 1 20 20 LYS HA H 1 4.317 0.01 . 1 . . . . 20 LYS HA . 16006 1 248 . 1 1 20 20 LYS HB2 H 1 2.026 0.01 . 2 . . . . 20 LYS HB2 . 16006 1 249 . 1 1 20 20 LYS HB3 H 1 1.864 0.01 . 2 . . . . 20 LYS HB3 . 16006 1 250 . 1 1 20 20 LYS HD2 H 1 1.627 0.01 . 2 . . . . 20 LYS HD2 . 16006 1 251 . 1 1 20 20 LYS HD3 H 1 1.627 0.01 . 2 . . . . 20 LYS HD3 . 16006 1 252 . 1 1 20 20 LYS HE2 H 1 2.932 0.01 . 2 . . . . 20 LYS HE2 . 16006 1 253 . 1 1 20 20 LYS HE3 H 1 2.932 0.01 . 2 . . . . 20 LYS HE3 . 16006 1 254 . 1 1 20 20 LYS HG2 H 1 1.374 0.01 . 2 . . . . 20 LYS HG2 . 16006 1 255 . 1 1 20 20 LYS HG3 H 1 1.321 0.01 . 2 . . . . 20 LYS HG3 . 16006 1 256 . 1 1 20 20 LYS C C 13 177.400 0.080 . 1 . . . . 20 LYS C . 16006 1 257 . 1 1 20 20 LYS CA C 13 55.700 0.200 . 1 . . . . 20 LYS CA . 16006 1 258 . 1 1 20 20 LYS CB C 13 32.773 0.200 . 1 . . . . 20 LYS CB . 16006 1 259 . 1 1 20 20 LYS CD C 13 29.104 0.200 . 1 . . . . 20 LYS CD . 16006 1 260 . 1 1 20 20 LYS CE C 13 42.426 0.200 . 1 . . . . 20 LYS CE . 16006 1 261 . 1 1 20 20 LYS CG C 13 25.627 0.200 . 1 . . . . 20 LYS CG . 16006 1 262 . 1 1 20 20 LYS N N 15 117.460 0.200 . 1 . . . . 20 LYS N . 16006 1 263 . 1 1 21 21 TRP H H 1 7.987 0.01 . 1 . . . . 21 TRP H . 16006 1 264 . 1 1 21 21 TRP HA H 1 4.969 0.01 . 1 . . . . 21 TRP HA . 16006 1 265 . 1 1 21 21 TRP HB2 H 1 3.446 0.01 . 2 . . . . 21 TRP HB2 . 16006 1 266 . 1 1 21 21 TRP HB3 H 1 3.614 0.01 . 2 . . . . 21 TRP HB3 . 16006 1 267 . 1 1 21 21 TRP HD1 H 1 6.800 0.01 . 1 . . . . 21 TRP HD1 . 16006 1 268 . 1 1 21 21 TRP HE1 H 1 9.317 0.01 . 1 . . . . 21 TRP HE1 . 16006 1 269 . 1 1 21 21 TRP HH2 H 1 6.845 0.01 . 1 . . . . 21 TRP HH2 . 16006 1 270 . 1 1 21 21 TRP HZ2 H 1 7.299 0.01 . 1 . . . . 21 TRP HZ2 . 16006 1 271 . 1 1 21 21 TRP HZ3 H 1 6.562 0.01 . 1 . . . . 21 TRP HZ3 . 16006 1 272 . 1 1 21 21 TRP CA C 13 53.910 0.200 . 1 . . . . 21 TRP CA . 16006 1 273 . 1 1 21 21 TRP CB C 13 28.621 0.200 . 1 . . . . 21 TRP CB . 16006 1 274 . 1 1 21 21 TRP CD1 C 13 125.050 0.200 . 1 . . . . 21 TRP CD1 . 16006 1 275 . 1 1 21 21 TRP CH2 C 13 123.454 0.200 . 1 . . . . 21 TRP CH2 . 16006 1 276 . 1 1 21 21 TRP CZ2 C 13 115.302 0.200 . 1 . . . . 21 TRP CZ2 . 16006 1 277 . 1 1 21 21 TRP CZ3 C 13 121.115 0.200 . 1 . . . . 21 TRP CZ3 . 16006 1 278 . 1 1 21 21 TRP N N 15 124.210 0.200 . 1 . . . . 21 TRP N . 16006 1 279 . 1 1 21 21 TRP NE1 N 15 126.791 0.200 . 1 . . . . 21 TRP NE1 . 16006 1 280 . 1 1 22 22 PRO HA H 1 4.551 0.01 . 1 . . . . 22 PRO HA . 16006 1 281 . 1 1 22 22 PRO HB2 H 1 2.300 0.01 . 2 . . . . 22 PRO HB2 . 16006 1 282 . 1 1 22 22 PRO HB3 H 1 1.813 0.01 . 2 . . . . 22 PRO HB3 . 16006 1 283 . 1 1 22 22 PRO HD2 H 1 4.023 0.01 . 2 . . . . 22 PRO HD2 . 16006 1 284 . 1 1 22 22 PRO HD3 H 1 3.647 0.01 . 2 . . . . 22 PRO HD3 . 16006 1 285 . 1 1 22 22 PRO HG2 H 1 1.194 0.01 . 2 . . . . 22 PRO HG2 . 16006 1 286 . 1 1 22 22 PRO HG3 H 1 1.687 0.01 . 2 . . . . 22 PRO HG3 . 16006 1 287 . 1 1 22 22 PRO C C 13 174.010 0.080 . 1 . . . . 22 PRO C . 16006 1 288 . 1 1 22 22 PRO CA C 13 63.010 0.200 . 1 . . . . 22 PRO CA . 16006 1 289 . 1 1 22 22 PRO CB C 13 32.390 0.200 . 1 . . . . 22 PRO CB . 16006 1 290 . 1 1 22 22 PRO CD C 13 50.643 0.200 . 1 . . . . 22 PRO CD . 16006 1 291 . 1 1 22 22 PRO CG C 13 27.176 0.200 . 1 . . . . 22 PRO CG . 16006 1 292 . 1 1 23 23 ILE H H 1 8.175 0.01 . 1 . . . . 23 ILE H . 16006 1 293 . 1 1 23 23 ILE HA H 1 5.444 0.01 . 1 . . . . 23 ILE HA . 16006 1 294 . 1 1 23 23 ILE HB H 1 1.585 0.01 . 1 . . . . 23 ILE HB . 16006 1 295 . 1 1 23 23 ILE HD11 H 1 0.550 0.01 . 1 . . . . 23 ILE HD11 . 16006 1 296 . 1 1 23 23 ILE HD12 H 1 0.550 0.01 . 1 . . . . 23 ILE HD12 . 16006 1 297 . 1 1 23 23 ILE HD13 H 1 0.550 0.01 . 1 . . . . 23 ILE HD13 . 16006 1 298 . 1 1 23 23 ILE HG12 H 1 1.536 0.01 . 2 . . . . 23 ILE HG12 . 16006 1 299 . 1 1 23 23 ILE HG13 H 1 0.445 0.01 . 2 . . . . 23 ILE HG13 . 16006 1 300 . 1 1 23 23 ILE HG21 H 1 0.686 0.01 . 1 . . . . 23 ILE HG21 . 16006 1 301 . 1 1 23 23 ILE HG22 H 1 0.686 0.01 . 1 . . . . 23 ILE HG22 . 16006 1 302 . 1 1 23 23 ILE HG23 H 1 0.686 0.01 . 1 . . . . 23 ILE HG23 . 16006 1 303 . 1 1 23 23 ILE C C 13 176.390 0.080 . 1 . . . . 23 ILE C . 16006 1 304 . 1 1 23 23 ILE CA C 13 59.190 0.200 . 1 . . . . 23 ILE CA . 16006 1 305 . 1 1 23 23 ILE CB C 13 41.123 0.200 . 1 . . . . 23 ILE CB . 16006 1 306 . 1 1 23 23 ILE CD1 C 13 13.196 0.200 . 1 . . . . 23 ILE CD1 . 16006 1 307 . 1 1 23 23 ILE CG1 C 13 28.470 0.200 . 1 . . . . 23 ILE CG1 . 16006 1 308 . 1 1 23 23 ILE CG2 C 13 17.811 0.200 . 1 . . . . 23 ILE CG2 . 16006 1 309 . 1 1 23 23 ILE N N 15 117.930 0.200 . 1 . . . . 23 ILE N . 16006 1 310 . 1 1 24 24 TRP H H 1 9.188 0.01 . 1 . . . . 24 TRP H . 16006 1 311 . 1 1 24 24 TRP HA H 1 4.908 0.01 . 1 . . . . 24 TRP HA . 16006 1 312 . 1 1 24 24 TRP HB2 H 1 3.098 0.01 . 2 . . . . 24 TRP HB2 . 16006 1 313 . 1 1 24 24 TRP HB3 H 1 2.636 0.01 . 2 . . . . 24 TRP HB3 . 16006 1 314 . 1 1 24 24 TRP HD1 H 1 7.173 0.01 . 1 . . . . 24 TRP HD1 . 16006 1 315 . 1 1 24 24 TRP HE1 H 1 9.836 0.01 . 1 . . . . 24 TRP HE1 . 16006 1 316 . 1 1 24 24 TRP HE3 H 1 6.980 0.01 . 1 . . . . 24 TRP HE3 . 16006 1 317 . 1 1 24 24 TRP HH2 H 1 6.341 0.01 . 1 . . . . 24 TRP HH2 . 16006 1 318 . 1 1 24 24 TRP HZ2 H 1 6.607 0.01 . 1 . . . . 24 TRP HZ2 . 16006 1 319 . 1 1 24 24 TRP C C 13 173.880 0.080 . 1 . . . . 24 TRP C . 16006 1 320 . 1 1 24 24 TRP CA C 13 56.600 0.200 . 1 . . . . 24 TRP CA . 16006 1 321 . 1 1 24 24 TRP CB C 13 34.550 0.200 . 1 . . . . 24 TRP CB . 16006 1 322 . 1 1 24 24 TRP CD1 C 13 129.101 0.200 . 1 . . . . 24 TRP CD1 . 16006 1 323 . 1 1 24 24 TRP CE3 C 13 119.064 0.200 . 1 . . . . 24 TRP CE3 . 16006 1 324 . 1 1 24 24 TRP CH2 C 13 123.181 0.200 . 1 . . . . 24 TRP CH2 . 16006 1 325 . 1 1 24 24 TRP CZ2 C 13 114.437 0.200 . 1 . . . . 24 TRP CZ2 . 16006 1 326 . 1 1 24 24 TRP N N 15 129.850 0.200 . 1 . . . . 24 TRP N . 16006 1 327 . 1 1 24 24 TRP NE1 N 15 130.640 0.200 . 1 . . . . 24 TRP NE1 . 16006 1 328 . 1 1 25 25 GLU H H 1 7.874 0.01 . 1 . . . . 25 GLU H . 16006 1 329 . 1 1 25 25 GLU HA H 1 5.186 0.01 . 1 . . . . 25 GLU HA . 16006 1 330 . 1 1 25 25 GLU HB2 H 1 1.710 0.01 . 2 . . . . 25 GLU HB2 . 16006 1 331 . 1 1 25 25 GLU HB3 H 1 1.761 0.01 . 2 . . . . 25 GLU HB3 . 16006 1 332 . 1 1 25 25 GLU HG2 H 1 1.992 0.01 . 2 . . . . 25 GLU HG2 . 16006 1 333 . 1 1 25 25 GLU HG3 H 1 1.921 0.01 . 2 . . . . 25 GLU HG3 . 16006 1 334 . 1 1 25 25 GLU C C 13 173.470 0.080 . 1 . . . . 25 GLU C . 16006 1 335 . 1 1 25 25 GLU CA C 13 53.820 0.200 . 1 . . . . 25 GLU CA . 16006 1 336 . 1 1 25 25 GLU CB C 13 34.009 0.200 . 1 . . . . 25 GLU CB . 16006 1 337 . 1 1 25 25 GLU CG C 13 36.544 0.200 . 1 . . . . 25 GLU CG . 16006 1 338 . 1 1 25 25 GLU N N 15 125.910 0.200 . 1 . . . . 25 GLU N . 16006 1 339 . 1 1 26 26 LYS H H 1 8.060 0.01 . 1 . . . . 26 LYS H . 16006 1 340 . 1 1 26 26 LYS HA H 1 3.768 0.01 . 1 . . . . 26 LYS HA . 16006 1 341 . 1 1 26 26 LYS HB2 H 1 0.095 0.01 . 2 . . . . 26 LYS HB2 . 16006 1 342 . 1 1 26 26 LYS HB3 H 1 1.184 0.01 . 2 . . . . 26 LYS HB3 . 16006 1 343 . 1 1 26 26 LYS HD2 H 1 1.672 0.01 . 2 . . . . 26 LYS HD2 . 16006 1 344 . 1 1 26 26 LYS HD3 H 1 1.125 0.01 . 2 . . . . 26 LYS HD3 . 16006 1 345 . 1 1 26 26 LYS HE2 H 1 2.450 0.01 . 2 . . . . 26 LYS HE2 . 16006 1 346 . 1 1 26 26 LYS HE3 H 1 2.271 0.01 . 2 . . . . 26 LYS HE3 . 16006 1 347 . 1 1 26 26 LYS HG2 H 1 1.482 0.01 . 2 . . . . 26 LYS HG2 . 16006 1 348 . 1 1 26 26 LYS HG3 H 1 0.988 0.01 . 2 . . . . 26 LYS HG3 . 16006 1 349 . 1 1 26 26 LYS C C 13 173.070 0.080 . 1 . . . . 26 LYS C . 16006 1 350 . 1 1 26 26 LYS CA C 13 54.760 0.200 . 1 . . . . 26 LYS CA . 16006 1 351 . 1 1 26 26 LYS CB C 13 37.271 0.200 . 1 . . . . 26 LYS CB . 16006 1 352 . 1 1 26 26 LYS CD C 13 24.076 0.200 . 1 . . . . 26 LYS CD . 16006 1 353 . 1 1 26 26 LYS CE C 13 42.395 0.200 . 1 . . . . 26 LYS CE . 16006 1 354 . 1 1 26 26 LYS CG C 13 27.964 0.200 . 1 . . . . 26 LYS CG . 16006 1 355 . 1 1 26 26 LYS N N 15 120.730 0.200 . 1 . . . . 26 LYS N . 16006 1 356 . 1 1 27 27 GLU H H 1 8.668 0.01 . 1 . . . . 27 GLU H . 16006 1 357 . 1 1 27 27 GLU HA H 1 4.139 0.01 . 1 . . . . 27 GLU HA . 16006 1 358 . 1 1 27 27 GLU HB2 H 1 2.045 0.01 . 2 . . . . 27 GLU HB2 . 16006 1 359 . 1 1 27 27 GLU HB3 H 1 2.085 0.01 . 2 . . . . 27 GLU HB3 . 16006 1 360 . 1 1 27 27 GLU HG2 H 1 2.320 0.01 . 2 . . . . 27 GLU HG2 . 16006 1 361 . 1 1 27 27 GLU HG3 H 1 2.097 0.01 . 2 . . . . 27 GLU HG3 . 16006 1 362 . 1 1 27 27 GLU C C 13 175.150 0.080 . 1 . . . . 27 GLU C . 16006 1 363 . 1 1 27 27 GLU CA C 13 55.350 0.200 . 1 . . . . 27 GLU CA . 16006 1 364 . 1 1 27 27 GLU CB C 13 29.857 0.200 . 1 . . . . 27 GLU CB . 16006 1 365 . 1 1 27 27 GLU CG C 13 35.304 0.200 . 1 . . . . 27 GLU CG . 16006 1 366 . 1 1 27 27 GLU N N 15 125.260 0.200 . 1 . . . . 27 GLU N . 16006 1 367 . 1 1 28 28 VAL H H 1 8.003 0.01 . 1 . . . . 28 VAL H . 16006 1 368 . 1 1 28 28 VAL HA H 1 3.573 0.01 . 1 . . . . 28 VAL HA . 16006 1 369 . 1 1 28 28 VAL HB H 1 1.864 0.01 . 1 . . . . 28 VAL HB . 16006 1 370 . 1 1 28 28 VAL HG11 H 1 0.835 0.01 . 2 . . . . 28 VAL HG11 . 16006 1 371 . 1 1 28 28 VAL HG12 H 1 0.835 0.01 . 2 . . . . 28 VAL HG12 . 16006 1 372 . 1 1 28 28 VAL HG13 H 1 0.835 0.01 . 2 . . . . 28 VAL HG13 . 16006 1 373 . 1 1 28 28 VAL HG21 H 1 1.014 0.01 . 2 . . . . 28 VAL HG21 . 16006 1 374 . 1 1 28 28 VAL HG22 H 1 1.014 0.01 . 2 . . . . 28 VAL HG22 . 16006 1 375 . 1 1 28 28 VAL HG23 H 1 1.014 0.01 . 2 . . . . 28 VAL HG23 . 16006 1 376 . 1 1 28 28 VAL C C 13 176.700 0.080 . 1 . . . . 28 VAL C . 16006 1 377 . 1 1 28 28 VAL CA C 13 65.950 0.200 . 1 . . . . 28 VAL CA . 16006 1 378 . 1 1 28 28 VAL CB C 13 31.562 0.200 . 1 . . . . 28 VAL CB . 16006 1 379 . 1 1 28 28 VAL CG1 C 13 22.154 0.200 . 2 . . . . 28 VAL CG1 . 16006 1 380 . 1 1 28 28 VAL CG2 C 13 20.458 0.200 . 2 . . . . 28 VAL CG2 . 16006 1 381 . 1 1 28 28 VAL N N 15 120.070 0.200 . 1 . . . . 28 VAL N . 16006 1 382 . 1 1 29 29 SER H H 1 7.782 0.01 . 1 . . . . 29 SER H . 16006 1 383 . 1 1 29 29 SER HA H 1 4.630 0.01 . 1 . . . . 29 SER HA . 16006 1 384 . 1 1 29 29 SER HB2 H 1 4.418 0.01 . 2 . . . . 29 SER HB2 . 16006 1 385 . 1 1 29 29 SER HB3 H 1 3.792 0.01 . 2 . . . . 29 SER HB3 . 16006 1 386 . 1 1 29 29 SER C C 13 172.300 0.080 . 1 . . . . 29 SER C . 16006 1 387 . 1 1 29 29 SER CA C 13 58.630 0.200 . 1 . . . . 29 SER CA . 16006 1 388 . 1 1 29 29 SER CB C 13 63.940 0.200 . 1 . . . . 29 SER CB . 16006 1 389 . 1 1 29 29 SER N N 15 118.810 0.200 . 1 . . . . 29 SER N . 16006 1 390 . 1 1 30 30 GLU H H 1 8.525 0.01 . 1 . . . . 30 GLU H . 16006 1 391 . 1 1 30 30 GLU HA H 1 5.636 0.01 . 1 . . . . 30 GLU HA . 16006 1 392 . 1 1 30 30 GLU HB2 H 1 1.983 0.01 . 2 . . . . 30 GLU HB2 . 16006 1 393 . 1 1 30 30 GLU HB3 H 1 1.950 0.01 . 2 . . . . 30 GLU HB3 . 16006 1 394 . 1 1 30 30 GLU HG2 H 1 2.113 0.01 . 2 . . . . 30 GLU HG2 . 16006 1 395 . 1 1 30 30 GLU HG3 H 1 2.113 0.01 . 2 . . . . 30 GLU HG3 . 16006 1 396 . 1 1 30 30 GLU C C 13 175.610 0.080 . 1 . . . . 30 GLU C . 16006 1 397 . 1 1 30 30 GLU CA C 13 55.360 0.200 . 1 . . . . 30 GLU CA . 16006 1 398 . 1 1 30 30 GLU CB C 13 33.658 0.200 . 1 . . . . 30 GLU CB . 16006 1 399 . 1 1 30 30 GLU CG C 13 36.613 0.200 . 1 . . . . 30 GLU CG . 16006 1 400 . 1 1 30 30 GLU N N 15 118.000 0.200 . 1 . . . . 30 GLU N . 16006 1 401 . 1 1 31 31 PHE H H 1 8.641 0.01 . 1 . . . . 31 PHE H . 16006 1 402 . 1 1 31 31 PHE HA H 1 4.969 0.01 . 1 . . . . 31 PHE HA . 16006 1 403 . 1 1 31 31 PHE HB2 H 1 3.389 0.01 . 2 . . . . 31 PHE HB2 . 16006 1 404 . 1 1 31 31 PHE HB3 H 1 3.173 0.01 . 2 . . . . 31 PHE HB3 . 16006 1 405 . 1 1 31 31 PHE HD1 H 1 7.038 0.01 . 3 . . . . 31 PHE HD1 . 16006 1 406 . 1 1 31 31 PHE HD2 H 1 7.038 0.01 . 3 . . . . 31 PHE HD2 . 16006 1 407 . 1 1 31 31 PHE HE1 H 1 6.754 0.01 . 3 . . . . 31 PHE HE1 . 16006 1 408 . 1 1 31 31 PHE HE2 H 1 6.754 0.01 . 3 . . . . 31 PHE HE2 . 16006 1 409 . 1 1 31 31 PHE HZ H 1 6.598 0.01 . 1 . . . . 31 PHE HZ . 16006 1 410 . 1 1 31 31 PHE C C 13 172.670 0.080 . 1 . . . . 31 PHE C . 16006 1 411 . 1 1 31 31 PHE CA C 13 56.300 0.200 . 1 . . . . 31 PHE CA . 16006 1 412 . 1 1 31 31 PHE CB C 13 39.620 0.200 . 1 . . . . 31 PHE CB . 16006 1 413 . 1 1 31 31 PHE CD1 C 13 133.127 0.200 . 3 . . . . 31 PHE CD1 . 16006 1 414 . 1 1 31 31 PHE CE1 C 13 130.737 0.200 . 3 . . . . 31 PHE CE1 . 16006 1 415 . 1 1 31 31 PHE CZ C 13 128.888 0.200 . 1 . . . . 31 PHE CZ . 16006 1 416 . 1 1 31 31 PHE N N 15 119.650 0.200 . 1 . . . . 31 PHE N . 16006 1 417 . 1 1 32 32 ASP H H 1 8.744 0.01 . 1 . . . . 32 ASP H . 16006 1 418 . 1 1 32 32 ASP HA H 1 5.345 0.01 . 1 . . . . 32 ASP HA . 16006 1 419 . 1 1 32 32 ASP HB2 H 1 2.732 0.01 . 2 . . . . 32 ASP HB2 . 16006 1 420 . 1 1 32 32 ASP HB3 H 1 2.530 0.01 . 2 . . . . 32 ASP HB3 . 16006 1 421 . 1 1 32 32 ASP C C 13 175.560 0.080 . 1 . . . . 32 ASP C . 16006 1 422 . 1 1 32 32 ASP CA C 13 54.520 0.200 . 1 . . . . 32 ASP CA . 16006 1 423 . 1 1 32 32 ASP CB C 13 43.213 0.200 . 1 . . . . 32 ASP CB . 16006 1 424 . 1 1 32 32 ASP N N 15 121.110 0.200 . 1 . . . . 32 ASP N . 16006 1 425 . 1 1 33 33 TRP H H 1 9.294 0.01 . 1 . . . . 33 TRP H . 16006 1 426 . 1 1 33 33 TRP HA H 1 4.461 0.01 . 1 . . . . 33 TRP HA . 16006 1 427 . 1 1 33 33 TRP HB2 H 1 2.586 0.01 . 2 . . . . 33 TRP HB2 . 16006 1 428 . 1 1 33 33 TRP HB3 H 1 2.535 0.01 . 2 . . . . 33 TRP HB3 . 16006 1 429 . 1 1 33 33 TRP HE1 H 1 9.306 0.01 . 1 . . . . 33 TRP HE1 . 16006 1 430 . 1 1 33 33 TRP HE3 H 1 7.395 0.01 . 1 . . . . 33 TRP HE3 . 16006 1 431 . 1 1 33 33 TRP HH2 H 1 6.553 0.01 . 1 . . . . 33 TRP HH2 . 16006 1 432 . 1 1 33 33 TRP HZ2 H 1 6.964 0.01 . 1 . . . . 33 TRP HZ2 . 16006 1 433 . 1 1 33 33 TRP HZ3 H 1 6.606 0.01 . 1 . . . . 33 TRP HZ3 . 16006 1 434 . 1 1 33 33 TRP C C 13 173.000 0.080 . 1 . . . . 33 TRP C . 16006 1 435 . 1 1 33 33 TRP CA C 13 57.480 0.200 . 1 . . . . 33 TRP CA . 16006 1 436 . 1 1 33 33 TRP CB C 13 34.190 0.200 . 1 . . . . 33 TRP CB . 16006 1 437 . 1 1 33 33 TRP CE3 C 13 120.324 0.200 . 1 . . . . 33 TRP CE3 . 16006 1 438 . 1 1 33 33 TRP CH2 C 13 123.330 0.200 . 1 . . . . 33 TRP CH2 . 16006 1 439 . 1 1 33 33 TRP CZ2 C 13 114.330 0.200 . 1 . . . . 33 TRP CZ2 . 16006 1 440 . 1 1 33 33 TRP CZ3 C 13 120.689 0.200 . 1 . . . . 33 TRP CZ3 . 16006 1 441 . 1 1 33 33 TRP N N 15 122.270 0.200 . 1 . . . . 33 TRP N . 16006 1 442 . 1 1 33 33 TRP NE1 N 15 129.818 0.200 . 1 . . . . 33 TRP NE1 . 16006 1 443 . 1 1 34 34 TYR H H 1 6.864 0.01 . 1 . . . . 34 TYR H . 16006 1 444 . 1 1 34 34 TYR HA H 1 5.126 0.01 . 1 . . . . 34 TYR HA . 16006 1 445 . 1 1 34 34 TYR HB2 H 1 2.713 0.01 . 2 . . . . 34 TYR HB2 . 16006 1 446 . 1 1 34 34 TYR HB3 H 1 2.383 0.01 . 2 . . . . 34 TYR HB3 . 16006 1 447 . 1 1 34 34 TYR HD1 H 1 6.720 0.01 . 3 . . . . 34 TYR HD1 . 16006 1 448 . 1 1 34 34 TYR HD2 H 1 6.720 0.01 . 3 . . . . 34 TYR HD2 . 16006 1 449 . 1 1 34 34 TYR HE1 H 1 6.562 0.01 . 3 . . . . 34 TYR HE1 . 16006 1 450 . 1 1 34 34 TYR HE2 H 1 6.562 0.01 . 3 . . . . 34 TYR HE2 . 16006 1 451 . 1 1 34 34 TYR C C 13 173.640 0.080 . 1 . . . . 34 TYR C . 16006 1 452 . 1 1 34 34 TYR CA C 13 55.230 0.200 . 1 . . . . 34 TYR CA . 16006 1 453 . 1 1 34 34 TYR CB C 13 40.430 0.200 . 1 . . . . 34 TYR CB . 16006 1 454 . 1 1 34 34 TYR CD1 C 13 132.709 0.200 . 3 . . . . 34 TYR CD1 . 16006 1 455 . 1 1 34 34 TYR CE1 C 13 117.674 0.200 . 3 . . . . 34 TYR CE1 . 16006 1 456 . 1 1 34 34 TYR N N 15 126.610 0.200 . 1 . . . . 34 TYR N . 16006 1 457 . 1 1 35 35 TYR H H 1 7.938 0.01 . 1 . . . . 35 TYR H . 16006 1 458 . 1 1 35 35 TYR HA H 1 3.991 0.01 . 1 . . . . 35 TYR HA . 16006 1 459 . 1 1 35 35 TYR HB2 H 1 3.396 0.01 . 2 . . . . 35 TYR HB2 . 16006 1 460 . 1 1 35 35 TYR HB3 H 1 2.649 0.01 . 2 . . . . 35 TYR HB3 . 16006 1 461 . 1 1 35 35 TYR HD1 H 1 7.032 0.01 . 3 . . . . 35 TYR HD1 . 16006 1 462 . 1 1 35 35 TYR HD2 H 1 7.032 0.01 . 3 . . . . 35 TYR HD2 . 16006 1 463 . 1 1 35 35 TYR HE1 H 1 6.375 0.01 . 3 . . . . 35 TYR HE1 . 16006 1 464 . 1 1 35 35 TYR HE2 H 1 6.375 0.01 . 3 . . . . 35 TYR HE2 . 16006 1 465 . 1 1 35 35 TYR C C 13 174.370 0.080 . 1 . . . . 35 TYR C . 16006 1 466 . 1 1 35 35 TYR CA C 13 59.580 0.200 . 1 . . . . 35 TYR CA . 16006 1 467 . 1 1 35 35 TYR CB C 13 36.274 0.200 . 1 . . . . 35 TYR CB . 16006 1 468 . 1 1 35 35 TYR CD1 C 13 132.663 0.200 . 3 . . . . 35 TYR CD1 . 16006 1 469 . 1 1 35 35 TYR CE1 C 13 118.741 0.200 . 3 . . . . 35 TYR CE1 . 16006 1 470 . 1 1 35 35 TYR N N 15 127.070 0.200 . 1 . . . . 35 TYR N . 16006 1 471 . 1 1 36 36 ASP H H 1 8.089 0.01 . 1 . . . . 36 ASP H . 16006 1 472 . 1 1 36 36 ASP HA H 1 4.185 0.01 . 1 . . . . 36 ASP HA . 16006 1 473 . 1 1 36 36 ASP HB2 H 1 2.590 0.01 . 2 . . . . 36 ASP HB2 . 16006 1 474 . 1 1 36 36 ASP HB3 H 1 2.464 0.01 . 2 . . . . 36 ASP HB3 . 16006 1 475 . 1 1 36 36 ASP C C 13 175.460 0.080 . 1 . . . . 36 ASP C . 16006 1 476 . 1 1 36 36 ASP CA C 13 55.030 0.200 . 1 . . . . 36 ASP CA . 16006 1 477 . 1 1 36 36 ASP CB C 13 40.924 0.200 . 1 . . . . 36 ASP CB . 16006 1 478 . 1 1 36 36 ASP N N 15 125.663 0.200 . 1 . . . . 36 ASP N . 16006 1 479 . 1 1 37 37 THR H H 1 7.729 0.01 . 1 . . . . 37 THR H . 16006 1 480 . 1 1 37 37 THR HA H 1 4.371 0.01 . 1 . . . . 37 THR HA . 16006 1 481 . 1 1 37 37 THR HB H 1 4.472 0.01 . 1 . . . . 37 THR HB . 16006 1 482 . 1 1 37 37 THR HG21 H 1 1.008 0.01 . 1 . . . . 37 THR HG21 . 16006 1 483 . 1 1 37 37 THR HG22 H 1 1.008 0.01 . 1 . . . . 37 THR HG22 . 16006 1 484 . 1 1 37 37 THR HG23 H 1 1.008 0.01 . 1 . . . . 37 THR HG23 . 16006 1 485 . 1 1 37 37 THR C C 13 173.790 0.080 . 1 . . . . 37 THR C . 16006 1 486 . 1 1 37 37 THR CA C 13 59.820 0.200 . 1 . . . . 37 THR CA . 16006 1 487 . 1 1 37 37 THR CB C 13 71.306 0.200 . 1 . . . . 37 THR CB . 16006 1 488 . 1 1 37 37 THR CG2 C 13 20.288 0.200 . 1 . . . . 37 THR CG2 . 16006 1 489 . 1 1 37 37 THR N N 15 109.230 0.200 . 1 . . . . 37 THR N . 16006 1 490 . 1 1 38 38 ASN H H 1 7.824 0.01 . 1 . . . . 38 ASN H . 16006 1 491 . 1 1 38 38 ASN HA H 1 4.727 0.01 . 1 . . . . 38 ASN HA . 16006 1 492 . 1 1 38 38 ASN HB2 H 1 1.542 0.01 . 2 . . . . 38 ASN HB2 . 16006 1 493 . 1 1 38 38 ASN HB3 H 1 0.696 0.01 . 2 . . . . 38 ASN HB3 . 16006 1 494 . 1 1 38 38 ASN HD21 H 1 7.103 0.01 . 2 . . . . 38 ASN HD21 . 16006 1 495 . 1 1 38 38 ASN HD22 H 1 6.918 0.01 . 2 . . . . 38 ASN HD22 . 16006 1 496 . 1 1 38 38 ASN C C 13 176.580 0.080 . 1 . . . . 38 ASN C . 16006 1 497 . 1 1 38 38 ASN CA C 13 53.360 0.200 . 1 . . . . 38 ASN CA . 16006 1 498 . 1 1 38 38 ASN CB C 13 39.313 0.200 . 1 . . . . 38 ASN CB . 16006 1 499 . 1 1 38 38 ASN N N 15 113.850 0.200 . 1 . . . . 38 ASN N . 16006 1 500 . 1 1 38 38 ASN ND2 N 15 119.577 0.200 . 1 . . . . 38 ASN ND2 . 16006 1 501 . 1 1 39 39 GLU H H 1 8.714 0.01 . 1 . . . . 39 GLU H . 16006 1 502 . 1 1 39 39 GLU HA H 1 5.256 0.01 . 1 . . . . 39 GLU HA . 16006 1 503 . 1 1 39 39 GLU HB2 H 1 1.990 0.01 . 2 . . . . 39 GLU HB2 . 16006 1 504 . 1 1 39 39 GLU HB3 H 1 1.838 0.01 . 2 . . . . 39 GLU HB3 . 16006 1 505 . 1 1 39 39 GLU HG2 H 1 2.160 0.01 . 2 . . . . 39 GLU HG2 . 16006 1 506 . 1 1 39 39 GLU HG3 H 1 1.863 0.01 . 2 . . . . 39 GLU HG3 . 16006 1 507 . 1 1 39 39 GLU CA C 13 55.840 0.200 . 1 . . . . 39 GLU CA . 16006 1 508 . 1 1 39 39 GLU C C 13 175.470 0.080 . 1 . . . . 39 GLU C . 16006 1 509 . 1 1 39 39 GLU CB C 13 34.323 0.200 . 1 . . . . 39 GLU CB . 16006 1 510 . 1 1 39 39 GLU CG C 13 36.969 0.200 . 1 . . . . 39 GLU CG . 16006 1 511 . 1 1 39 39 GLU N N 15 123.030 0.200 . 1 . . . . 39 GLU N . 16006 1 512 . 1 1 40 40 THR H H 1 9.006 0.01 . 1 . . . . 40 THR H . 16006 1 513 . 1 1 40 40 THR HA H 1 5.959 0.01 . 1 . . . . 40 THR HA . 16006 1 514 . 1 1 40 40 THR HB H 1 3.784 0.01 . 1 . . . . 40 THR HB . 16006 1 515 . 1 1 40 40 THR HG21 H 1 1.377 0.01 . 1 . . . . 40 THR HG21 . 16006 1 516 . 1 1 40 40 THR HG22 H 1 1.377 0.01 . 1 . . . . 40 THR HG22 . 16006 1 517 . 1 1 40 40 THR HG23 H 1 1.377 0.01 . 1 . . . . 40 THR HG23 . 16006 1 518 . 1 1 40 40 THR C C 13 173.350 0.080 . 1 . . . . 40 THR C . 16006 1 519 . 1 1 40 40 THR CA C 13 61.500 0.200 . 1 . . . . 40 THR CA . 16006 1 520 . 1 1 40 40 THR CB C 13 70.660 0.200 . 1 . . . . 40 THR CB . 16006 1 521 . 1 1 40 40 THR CG2 C 13 23.168 0.200 . 1 . . . . 40 THR CG2 . 16006 1 522 . 1 1 40 40 THR N N 15 124.710 0.200 . 1 . . . . 40 THR N . 16006 1 523 . 1 1 41 41 CYS H H 1 10.261 0.01 . 1 . . . . 41 CYS H . 16006 1 524 . 1 1 41 41 CYS HA H 1 6.238 0.01 . 1 . . . . 41 CYS HA . 16006 1 525 . 1 1 41 41 CYS HB2 H 1 3.725 0.01 . 2 . . . . 41 CYS HB2 . 16006 1 526 . 1 1 41 41 CYS HB3 H 1 3.068 0.01 . 2 . . . . 41 CYS HB3 . 16006 1 527 . 1 1 41 41 CYS C C 13 171.800 0.080 . 1 . . . . 41 CYS C . 16006 1 528 . 1 1 41 41 CYS CA C 13 54.630 0.200 . 1 . . . . 41 CYS CA . 16006 1 529 . 1 1 41 41 CYS CB C 13 32.955 0.200 . 1 . . . . 41 CYS CB . 16006 1 530 . 1 1 41 41 CYS N N 15 121.830 0.200 . 1 . . . . 41 CYS N . 16006 1 531 . 1 1 42 42 TYR H H 1 9.515 0.01 . 1 . . . . 42 TYR H . 16006 1 532 . 1 1 42 42 TYR HA H 1 5.809 0.01 . 1 . . . . 42 TYR HA . 16006 1 533 . 1 1 42 42 TYR HB2 H 1 2.823 0.01 . 2 . . . . 42 TYR HB2 . 16006 1 534 . 1 1 42 42 TYR HB3 H 1 2.650 0.01 . 2 . . . . 42 TYR HB3 . 16006 1 535 . 1 1 42 42 TYR HD1 H 1 6.760 0.01 . 3 . . . . 42 TYR HD1 . 16006 1 536 . 1 1 42 42 TYR HD2 H 1 6.760 0.01 . 3 . . . . 42 TYR HD2 . 16006 1 537 . 1 1 42 42 TYR C C 13 175.020 0.080 . 1 . . . . 42 TYR C . 16006 1 538 . 1 1 42 42 TYR CA C 13 55.430 0.200 . 1 . . . . 42 TYR CA . 16006 1 539 . 1 1 42 42 TYR CB C 13 42.690 0.200 . 1 . . . . 42 TYR CB . 16006 1 540 . 1 1 42 42 TYR CD1 C 13 132.323 0.200 . 3 . . . . 42 TYR CD1 . 16006 1 541 . 1 1 42 42 TYR N N 15 122.230 0.200 . 1 . . . . 42 TYR N . 16006 1 542 . 1 1 43 43 ILE H H 1 8.263 0.01 . 1 . . . . 43 ILE H . 16006 1 543 . 1 1 43 43 ILE HA H 1 3.954 0.01 . 1 . . . . 43 ILE HA . 16006 1 544 . 1 1 43 43 ILE HB H 1 2.154 0.01 . 1 . . . . 43 ILE HB . 16006 1 545 . 1 1 43 43 ILE HD11 H 1 0.599 0.01 . 1 . . . . 43 ILE HD11 . 16006 1 546 . 1 1 43 43 ILE HD12 H 1 0.599 0.01 . 1 . . . . 43 ILE HD12 . 16006 1 547 . 1 1 43 43 ILE HD13 H 1 0.599 0.01 . 1 . . . . 43 ILE HD13 . 16006 1 548 . 1 1 43 43 ILE HG12 H 1 1.590 0.01 . 2 . . . . 43 ILE HG12 . 16006 1 549 . 1 1 43 43 ILE HG13 H 1 1.088 0.01 . 2 . . . . 43 ILE HG13 . 16006 1 550 . 1 1 43 43 ILE HG21 H 1 0.473 0.01 . 1 . . . . 43 ILE HG21 . 16006 1 551 . 1 1 43 43 ILE HG22 H 1 0.473 0.01 . 1 . . . . 43 ILE HG22 . 16006 1 552 . 1 1 43 43 ILE HG23 H 1 0.473 0.01 . 1 . . . . 43 ILE HG23 . 16006 1 553 . 1 1 43 43 ILE C C 13 174.780 0.080 . 1 . . . . 43 ILE C . 16006 1 554 . 1 1 43 43 ILE CA C 13 59.430 0.200 . 1 . . . . 43 ILE CA . 16006 1 555 . 1 1 43 43 ILE CB C 13 34.729 0.200 . 1 . . . . 43 ILE CB . 16006 1 556 . 1 1 43 43 ILE CD1 C 13 9.243 0.200 . 1 . . . . 43 ILE CD1 . 16006 1 557 . 1 1 43 43 ILE CG1 C 13 25.978 0.200 . 1 . . . . 43 ILE CG1 . 16006 1 558 . 1 1 43 43 ILE CG2 C 13 18.170 0.200 . 1 . . . . 43 ILE CG2 . 16006 1 559 . 1 1 43 43 ILE N N 15 127.054 0.200 . 1 . . . . 43 ILE N . 16006 1 560 . 1 1 44 44 LEU H H 1 8.549 0.01 . 1 . . . . 44 LEU H . 16006 1 561 . 1 1 44 44 LEU HA H 1 4.019 0.01 . 1 . . . . 44 LEU HA . 16006 1 562 . 1 1 44 44 LEU HB2 H 1 1.571 0.01 . 2 . . . . 44 LEU HB2 . 16006 1 563 . 1 1 44 44 LEU HB3 H 1 1.571 0.01 . 2 . . . . 44 LEU HB3 . 16006 1 564 . 1 1 44 44 LEU HD11 H 1 0.689 0.01 . 2 . . . . 44 LEU HD11 . 16006 1 565 . 1 1 44 44 LEU HD12 H 1 0.689 0.01 . 2 . . . . 44 LEU HD12 . 16006 1 566 . 1 1 44 44 LEU HD13 H 1 0.689 0.01 . 2 . . . . 44 LEU HD13 . 16006 1 567 . 1 1 44 44 LEU HD21 H 1 1.108 0.01 . 2 . . . . 44 LEU HD21 . 16006 1 568 . 1 1 44 44 LEU HD22 H 1 1.108 0.01 . 2 . . . . 44 LEU HD22 . 16006 1 569 . 1 1 44 44 LEU HD23 H 1 1.108 0.01 . 2 . . . . 44 LEU HD23 . 16006 1 570 . 1 1 44 44 LEU HG H 1 1.669 0.01 . 1 . . . . 44 LEU HG . 16006 1 571 . 1 1 44 44 LEU C C 13 177.160 0.080 . 1 . . . . 44 LEU C . 16006 1 572 . 1 1 44 44 LEU CA C 13 56.870 0.200 . 1 . . . . 44 LEU CA . 16006 1 573 . 1 1 44 44 LEU CB C 13 44.368 0.200 . 1 . . . . 44 LEU CB . 16006 1 574 . 1 1 44 44 LEU CD1 C 13 25.773 0.200 . 2 . . . . 44 LEU CD1 . 16006 1 575 . 1 1 44 44 LEU CD2 C 13 23.838 0.200 . 2 . . . . 44 LEU CD2 . 16006 1 576 . 1 1 44 44 LEU CG C 13 27.398 0.200 . 1 . . . . 44 LEU CG . 16006 1 577 . 1 1 44 44 LEU N N 15 130.870 0.200 . 1 . . . . 44 LEU N . 16006 1 578 . 1 1 45 45 GLU H H 1 7.708 0.01 . 1 . . . . 45 GLU H . 16006 1 579 . 1 1 45 45 GLU HA H 1 4.333 0.01 . 1 . . . . 45 GLU HA . 16006 1 580 . 1 1 45 45 GLU HB2 H 1 2.045 0.01 . 2 . . . . 45 GLU HB2 . 16006 1 581 . 1 1 45 45 GLU HB3 H 1 1.829 0.01 . 2 . . . . 45 GLU HB3 . 16006 1 582 . 1 1 45 45 GLU HG2 H 1 2.166 0.01 . 2 . . . . 45 GLU HG2 . 16006 1 583 . 1 1 45 45 GLU HG3 H 1 2.166 0.01 . 2 . . . . 45 GLU HG3 . 16006 1 584 . 1 1 45 45 GLU C C 13 173.960 0.080 . 1 . . . . 45 GLU C . 16006 1 585 . 1 1 45 45 GLU CA C 13 55.240 0.200 . 1 . . . . 45 GLU CA . 16006 1 586 . 1 1 45 45 GLU CB C 13 34.332 0.200 . 1 . . . . 45 GLU CB . 16006 1 587 . 1 1 45 45 GLU CG C 13 35.895 0.200 . 1 . . . . 45 GLU CG . 16006 1 588 . 1 1 45 45 GLU N N 15 113.220 0.200 . 1 . . . . 45 GLU N . 16006 1 589 . 1 1 46 46 GLY H H 1 8.573 0.01 . 1 . . . . 46 GLY H . 16006 1 590 . 1 1 46 46 GLY HA2 H 1 4.461 0.01 . 2 . . . . 46 GLY HA2 . 16006 1 591 . 1 1 46 46 GLY HA3 H 1 3.366 0.01 . 2 . . . . 46 GLY HA3 . 16006 1 592 . 1 1 46 46 GLY C C 13 172.180 0.080 . 1 . . . . 46 GLY C . 16006 1 593 . 1 1 46 46 GLY CA C 13 45.331 0.200 . 1 . . . . 46 GLY CA . 16006 1 594 . 1 1 46 46 GLY N N 15 108.790 0.200 . 1 . . . . 46 GLY N . 16006 1 595 . 1 1 47 47 LYS H H 1 7.239 0.01 . 1 . . . . 47 LYS H . 16006 1 596 . 1 1 47 47 LYS HA H 1 5.024 0.01 . 1 . . . . 47 LYS HA . 16006 1 597 . 1 1 47 47 LYS HB2 H 1 1.704 0.01 . 2 . . . . 47 LYS HB2 . 16006 1 598 . 1 1 47 47 LYS HB3 H 1 1.451 0.01 . 2 . . . . 47 LYS HB3 . 16006 1 599 . 1 1 47 47 LYS HD2 H 1 1.542 0.01 . 2 . . . . 47 LYS HD2 . 16006 1 600 . 1 1 47 47 LYS HD3 H 1 1.542 0.01 . 2 . . . . 47 LYS HD3 . 16006 1 601 . 1 1 47 47 LYS HE2 H 1 2.758 0.01 . 2 . . . . 47 LYS HE2 . 16006 1 602 . 1 1 47 47 LYS HE3 H 1 2.758 0.01 . 2 . . . . 47 LYS HE3 . 16006 1 603 . 1 1 47 47 LYS HG2 H 1 1.145 0.01 . 2 . . . . 47 LYS HG2 . 16006 1 604 . 1 1 47 47 LYS HG3 H 1 1.316 0.01 . 2 . . . . 47 LYS HG3 . 16006 1 605 . 1 1 47 47 LYS C C 13 174.860 0.080 . 1 . . . . 47 LYS C . 16006 1 606 . 1 1 47 47 LYS CA C 13 56.500 0.200 . 1 . . . . 47 LYS CA . 16006 1 607 . 1 1 47 47 LYS CB C 13 36.500 0.200 . 1 . . . . 47 LYS CB . 16006 1 608 . 1 1 47 47 LYS CD C 13 29.690 0.200 . 1 . . . . 47 LYS CD . 16006 1 609 . 1 1 47 47 LYS CE C 13 42.040 0.200 . 1 . . . . 47 LYS CE . 16006 1 610 . 1 1 47 47 LYS CG C 13 25.765 0.200 . 1 . . . . 47 LYS CG . 16006 1 611 . 1 1 47 47 LYS N N 15 116.630 0.200 . 1 . . . . 47 LYS N . 16006 1 612 . 1 1 48 48 VAL H H 1 9.243 0.01 . 1 . . . . 48 VAL H . 16006 1 613 . 1 1 48 48 VAL HA H 1 4.894 0.01 . 1 . . . . 48 VAL HA . 16006 1 614 . 1 1 48 48 VAL HB H 1 1.535 0.01 . 1 . . . . 48 VAL HB . 16006 1 615 . 1 1 48 48 VAL HG11 H 1 0.304 0.01 . 2 . . . . 48 VAL HG11 . 16006 1 616 . 1 1 48 48 VAL HG12 H 1 0.304 0.01 . 2 . . . . 48 VAL HG12 . 16006 1 617 . 1 1 48 48 VAL HG13 H 1 0.304 0.01 . 2 . . . . 48 VAL HG13 . 16006 1 618 . 1 1 48 48 VAL HG21 H 1 0.808 0.01 . 2 . . . . 48 VAL HG21 . 16006 1 619 . 1 1 48 48 VAL HG22 H 1 0.808 0.01 . 2 . . . . 48 VAL HG22 . 16006 1 620 . 1 1 48 48 VAL HG23 H 1 0.808 0.01 . 2 . . . . 48 VAL HG23 . 16006 1 621 . 1 1 48 48 VAL C C 13 173.550 0.080 . 1 . . . . 48 VAL C . 16006 1 622 . 1 1 48 48 VAL CA C 13 59.900 0.200 . 1 . . . . 48 VAL CA . 16006 1 623 . 1 1 48 48 VAL CB C 13 36.570 0.200 . 1 . . . . 48 VAL CB . 16006 1 624 . 1 1 48 48 VAL CG1 C 13 21.655 0.200 . 2 . . . . 48 VAL CG1 . 16006 1 625 . 1 1 48 48 VAL CG2 C 13 21.746 0.200 . 2 . . . . 48 VAL CG2 . 16006 1 626 . 1 1 48 48 VAL N N 15 126.030 0.200 . 1 . . . . 48 VAL N . 16006 1 627 . 1 1 49 49 GLU H H 1 8.983 0.01 . 1 . . . . 49 GLU H . 16006 1 628 . 1 1 49 49 GLU HA H 1 5.108 0.01 . 1 . . . . 49 GLU HA . 16006 1 629 . 1 1 49 49 GLU HB2 H 1 1.881 0.01 . 2 . . . . 49 GLU HB2 . 16006 1 630 . 1 1 49 49 GLU HB3 H 1 1.930 0.01 . 2 . . . . 49 GLU HB3 . 16006 1 631 . 1 1 49 49 GLU HG2 H 1 2.076 0.01 . 2 . . . . 49 GLU HG2 . 16006 1 632 . 1 1 49 49 GLU HG3 H 1 1.893 0.01 . 2 . . . . 49 GLU HG3 . 16006 1 633 . 1 1 49 49 GLU C C 13 175.840 0.080 . 1 . . . . 49 GLU C . 16006 1 634 . 1 1 49 49 GLU CA C 13 54.470 0.200 . 1 . . . . 49 GLU CA . 16006 1 635 . 1 1 49 49 GLU CB C 13 32.640 0.200 . 1 . . . . 49 GLU CB . 16006 1 636 . 1 1 49 49 GLU CG C 13 37.190 0.200 . 1 . . . . 49 GLU CG . 16006 1 637 . 1 1 49 49 GLU N N 15 124.990 0.200 . 1 . . . . 49 GLU N . 16006 1 638 . 1 1 50 50 VAL H H 1 9.491 0.01 . 1 . . . . 50 VAL H . 16006 1 639 . 1 1 50 50 VAL HA H 1 4.899 0.01 . 1 . . . . 50 VAL HA . 16006 1 640 . 1 1 50 50 VAL HB H 1 1.789 0.01 . 1 . . . . 50 VAL HB . 16006 1 641 . 1 1 50 50 VAL HG11 H 1 -0.009 0.01 . 2 . . . . 50 VAL HG11 . 16006 1 642 . 1 1 50 50 VAL HG12 H 1 -0.009 0.01 . 2 . . . . 50 VAL HG12 . 16006 1 643 . 1 1 50 50 VAL HG13 H 1 -0.009 0.01 . 2 . . . . 50 VAL HG13 . 16006 1 644 . 1 1 50 50 VAL HG21 H 1 0.754 0.01 . 2 . . . . 50 VAL HG21 . 16006 1 645 . 1 1 50 50 VAL HG22 H 1 0.754 0.01 . 2 . . . . 50 VAL HG22 . 16006 1 646 . 1 1 50 50 VAL HG23 H 1 0.754 0.01 . 2 . . . . 50 VAL HG23 . 16006 1 647 . 1 1 50 50 VAL C C 13 175.400 0.080 . 1 . . . . 50 VAL C . 16006 1 648 . 1 1 50 50 VAL CA C 13 60.670 0.200 . 1 . . . . 50 VAL CA . 16006 1 649 . 1 1 50 50 VAL CB C 13 34.423 0.200 . 1 . . . . 50 VAL CB . 16006 1 650 . 1 1 50 50 VAL CG1 C 13 20.466 0.200 . 2 . . . . 50 VAL CG1 . 16006 1 651 . 1 1 50 50 VAL CG2 C 13 21.561 0.200 . 2 . . . . 50 VAL CG2 . 16006 1 652 . 1 1 50 50 VAL N N 15 130.390 0.200 . 1 . . . . 50 VAL N . 16006 1 653 . 1 1 51 51 THR H H 1 8.920 0.01 . 1 . . . . 51 THR H . 16006 1 654 . 1 1 51 51 THR HA H 1 5.545 0.01 . 1 . . . . 51 THR HA . 16006 1 655 . 1 1 51 51 THR HB H 1 3.924 0.01 . 1 . . . . 51 THR HB . 16006 1 656 . 1 1 51 51 THR HG21 H 1 1.164 0.01 . 1 . . . . 51 THR HG21 . 16006 1 657 . 1 1 51 51 THR HG22 H 1 1.164 0.01 . 1 . . . . 51 THR HG22 . 16006 1 658 . 1 1 51 51 THR HG23 H 1 1.164 0.01 . 1 . . . . 51 THR HG23 . 16006 1 659 . 1 1 51 51 THR C C 13 176.670 0.080 . 1 . . . . 51 THR C . 16006 1 660 . 1 1 51 51 THR CA C 13 60.730 0.200 . 1 . . . . 51 THR CA . 16006 1 661 . 1 1 51 51 THR CB C 13 70.230 0.200 . 1 . . . . 51 THR CB . 16006 1 662 . 1 1 51 51 THR CG2 C 13 21.118 0.200 . 1 . . . . 51 THR CG2 . 16006 1 663 . 1 1 51 51 THR N N 15 122.230 0.200 . 1 . . . . 51 THR N . 16006 1 664 . 1 1 52 52 THR H H 1 9.588 0.01 . 1 . . . . 52 THR H . 16006 1 665 . 1 1 52 52 THR HA H 1 4.653 0.01 . 1 . . . . 52 THR HA . 16006 1 666 . 1 1 52 52 THR HB H 1 4.904 0.01 . 1 . . . . 52 THR HB . 16006 1 667 . 1 1 52 52 THR HG21 H 1 1.476 0.01 . 1 . . . . 52 THR HG21 . 16006 1 668 . 1 1 52 52 THR HG22 H 1 1.476 0.01 . 1 . . . . 52 THR HG22 . 16006 1 669 . 1 1 52 52 THR HG23 H 1 1.476 0.01 . 1 . . . . 52 THR HG23 . 16006 1 670 . 1 1 52 52 THR C C 13 176.870 0.080 . 1 . . . . 52 THR C . 16006 1 671 . 1 1 52 52 THR CA C 13 61.830 0.200 . 1 . . . . 52 THR CA . 16006 1 672 . 1 1 52 52 THR CB C 13 70.366 0.200 . 1 . . . . 52 THR CB . 16006 1 673 . 1 1 52 52 THR CG2 C 13 23.759 0.200 . 1 . . . . 52 THR CG2 . 16006 1 674 . 1 1 52 52 THR N N 15 119.140 0.200 . 1 . . . . 52 THR N . 16006 1 675 . 1 1 53 53 GLU H H 1 8.471 0.01 . 1 . . . . 53 GLU H . 16006 1 676 . 1 1 53 53 GLU HA H 1 4.117 0.01 . 1 . . . . 53 GLU HA . 16006 1 677 . 1 1 53 53 GLU HB2 H 1 2.160 0.01 . 2 . . . . 53 GLU HB2 . 16006 1 678 . 1 1 53 53 GLU HB3 H 1 2.086 0.01 . 2 . . . . 53 GLU HB3 . 16006 1 679 . 1 1 53 53 GLU HG2 H 1 2.301 0.01 . 2 . . . . 53 GLU HG2 . 16006 1 680 . 1 1 53 53 GLU HG3 H 1 2.337 0.01 . 2 . . . . 53 GLU HG3 . 16006 1 681 . 1 1 53 53 GLU C C 13 176.480 0.080 . 1 . . . . 53 GLU C . 16006 1 682 . 1 1 53 53 GLU CA C 13 59.210 0.200 . 1 . . . . 53 GLU CA . 16006 1 683 . 1 1 53 53 GLU CB C 13 29.877 0.200 . 1 . . . . 53 GLU CB . 16006 1 684 . 1 1 53 53 GLU CG C 13 36.164 0.200 . 1 . . . . 53 GLU CG . 16006 1 685 . 1 1 53 53 GLU N N 15 121.550 0.200 . 1 . . . . 53 GLU N . 16006 1 686 . 1 1 54 54 ASP H H 1 8.197 0.01 . 1 . . . . 54 ASP H . 16006 1 687 . 1 1 54 54 ASP HA H 1 4.607 0.01 . 1 . . . . 54 ASP HA . 16006 1 688 . 1 1 54 54 ASP HB2 H 1 2.879 0.01 . 2 . . . . 54 ASP HB2 . 16006 1 689 . 1 1 54 54 ASP HB3 H 1 2.675 0.01 . 2 . . . . 54 ASP HB3 . 16006 1 690 . 1 1 54 54 ASP C C 13 176.530 0.080 . 1 . . . . 54 ASP C . 16006 1 691 . 1 1 54 54 ASP CA C 13 53.410 0.200 . 1 . . . . 54 ASP CA . 16006 1 692 . 1 1 54 54 ASP CB C 13 40.147 0.200 . 1 . . . . 54 ASP CB . 16006 1 693 . 1 1 54 54 ASP N N 15 114.680 0.200 . 1 . . . . 54 ASP N . 16006 1 694 . 1 1 55 55 GLY H H 1 8.083 0.01 . 1 . . . . 55 GLY H . 16006 1 695 . 1 1 55 55 GLY HA2 H 1 4.135 0.01 . 2 . . . . 55 GLY HA2 . 16006 1 696 . 1 1 55 55 GLY HA3 H 1 3.533 0.01 . 2 . . . . 55 GLY HA3 . 16006 1 697 . 1 1 55 55 GLY C C 13 174.630 0.080 . 1 . . . . 55 GLY C . 16006 1 698 . 1 1 55 55 GLY CA C 13 45.925 0.200 . 1 . . . . 55 GLY CA . 16006 1 699 . 1 1 55 55 GLY N N 15 107.960 0.200 . 1 . . . . 55 GLY N . 16006 1 700 . 1 1 56 56 LYS H H 1 7.510 0.01 . 1 . . . . 56 LYS H . 16006 1 701 . 1 1 56 56 LYS HA H 1 4.137 0.01 . 1 . . . . 56 LYS HA . 16006 1 702 . 1 1 56 56 LYS HB2 H 1 1.865 0.01 . 2 . . . . 56 LYS HB2 . 16006 1 703 . 1 1 56 56 LYS HB3 H 1 1.476 0.01 . 2 . . . . 56 LYS HB3 . 16006 1 704 . 1 1 56 56 LYS HD2 H 1 1.628 0.01 . 2 . . . . 56 LYS HD2 . 16006 1 705 . 1 1 56 56 LYS HD3 H 1 1.628 0.01 . 2 . . . . 56 LYS HD3 . 16006 1 706 . 1 1 56 56 LYS HE2 H 1 2.839 0.01 . 2 . . . . 56 LYS HE2 . 16006 1 707 . 1 1 56 56 LYS HE3 H 1 2.839 0.01 . 2 . . . . 56 LYS HE3 . 16006 1 708 . 1 1 56 56 LYS HG2 H 1 1.129 0.01 . 2 . . . . 56 LYS HG2 . 16006 1 709 . 1 1 56 56 LYS HG3 H 1 1.253 0.01 . 2 . . . . 56 LYS HG3 . 16006 1 710 . 1 1 56 56 LYS C C 13 174.600 0.080 . 1 . . . . 56 LYS C . 16006 1 711 . 1 1 56 56 LYS CA C 13 56.470 0.200 . 1 . . . . 56 LYS CA . 16006 1 712 . 1 1 56 56 LYS CB C 13 33.150 0.200 . 1 . . . . 56 LYS CB . 16006 1 713 . 1 1 56 56 LYS CD C 13 29.280 0.200 . 1 . . . . 56 LYS CD . 16006 1 714 . 1 1 56 56 LYS CE C 13 42.390 0.200 . 1 . . . . 56 LYS CE . 16006 1 715 . 1 1 56 56 LYS CG C 13 25.651 0.200 . 1 . . . . 56 LYS CG . 16006 1 716 . 1 1 56 56 LYS N N 15 121.560 0.200 . 1 . . . . 56 LYS N . 16006 1 717 . 1 1 57 57 LYS H H 1 7.872 0.01 . 1 . . . . 57 LYS H . 16006 1 718 . 1 1 57 57 LYS HA H 1 5.243 0.01 . 1 . . . . 57 LYS HA . 16006 1 719 . 1 1 57 57 LYS HB2 H 1 1.464 0.01 . 2 . . . . 57 LYS HB2 . 16006 1 720 . 1 1 57 57 LYS HB3 H 1 1.439 0.01 . 2 . . . . 57 LYS HB3 . 16006 1 721 . 1 1 57 57 LYS HD2 H 1 1.459 0.01 . 2 . . . . 57 LYS HD2 . 16006 1 722 . 1 1 57 57 LYS HD3 H 1 1.552 0.01 . 2 . . . . 57 LYS HD3 . 16006 1 723 . 1 1 57 57 LYS HE2 H 1 2.764 0.01 . 2 . . . . 57 LYS HE2 . 16006 1 724 . 1 1 57 57 LYS HE3 H 1 2.764 0.01 . 2 . . . . 57 LYS HE3 . 16006 1 725 . 1 1 57 57 LYS HG2 H 1 1.174 0.01 . 2 . . . . 57 LYS HG2 . 16006 1 726 . 1 1 57 57 LYS HG3 H 1 1.209 0.01 . 2 . . . . 57 LYS HG3 . 16006 1 727 . 1 1 57 57 LYS C C 13 175.490 0.080 . 1 . . . . 57 LYS C . 16006 1 728 . 1 1 57 57 LYS CA C 13 54.850 0.200 . 1 . . . . 57 LYS CA . 16006 1 729 . 1 1 57 57 LYS CB C 13 35.554 0.200 . 1 . . . . 57 LYS CB . 16006 1 730 . 1 1 57 57 LYS CD C 13 29.446 0.200 . 1 . . . . 57 LYS CD . 16006 1 731 . 1 1 57 57 LYS CE C 13 42.097 0.200 . 1 . . . . 57 LYS CE . 16006 1 732 . 1 1 57 57 LYS CG C 13 25.175 0.200 . 1 . . . . 57 LYS CG . 16006 1 733 . 1 1 57 57 LYS N N 15 121.580 0.200 . 1 . . . . 57 LYS N . 16006 1 734 . 1 1 58 58 TYR H H 1 9.231 0.01 . 1 . . . . 58 TYR H . 16006 1 735 . 1 1 58 58 TYR HA H 1 4.580 0.01 . 1 . . . . 58 TYR HA . 16006 1 736 . 1 1 58 58 TYR HB2 H 1 2.661 0.01 . 2 . . . . 58 TYR HB2 . 16006 1 737 . 1 1 58 58 TYR HB3 H 1 2.416 0.01 . 2 . . . . 58 TYR HB3 . 16006 1 738 . 1 1 58 58 TYR HD1 H 1 6.875 0.01 . 3 . . . . 58 TYR HD1 . 16006 1 739 . 1 1 58 58 TYR HD2 H 1 6.875 0.01 . 3 . . . . 58 TYR HD2 . 16006 1 740 . 1 1 58 58 TYR HE1 H 1 6.707 0.01 . 3 . . . . 58 TYR HE1 . 16006 1 741 . 1 1 58 58 TYR HE2 H 1 6.707 0.01 . 3 . . . . 58 TYR HE2 . 16006 1 742 . 1 1 58 58 TYR C C 13 174.460 0.080 . 1 . . . . 58 TYR C . 16006 1 743 . 1 1 58 58 TYR CA C 13 56.570 0.200 . 1 . . . . 58 TYR CA . 16006 1 744 . 1 1 58 58 TYR CB C 13 41.270 0.200 . 1 . . . . 58 TYR CB . 16006 1 745 . 1 1 58 58 TYR CD1 C 13 133.036 0.200 . 3 . . . . 58 TYR CD1 . 16006 1 746 . 1 1 58 58 TYR CE1 C 13 118.245 0.200 . 3 . . . . 58 TYR CE1 . 16006 1 747 . 1 1 58 58 TYR N N 15 123.400 0.200 . 1 . . . . 58 TYR N . 16006 1 748 . 1 1 59 59 VAL H H 1 8.487 0.01 . 1 . . . . 59 VAL H . 16006 1 749 . 1 1 59 59 VAL HA H 1 4.720 0.01 . 1 . . . . 59 VAL HA . 16006 1 750 . 1 1 59 59 VAL HB H 1 1.872 0.01 . 1 . . . . 59 VAL HB . 16006 1 751 . 1 1 59 59 VAL HG11 H 1 0.833 0.01 . 2 . . . . 59 VAL HG11 . 16006 1 752 . 1 1 59 59 VAL HG12 H 1 0.833 0.01 . 2 . . . . 59 VAL HG12 . 16006 1 753 . 1 1 59 59 VAL HG13 H 1 0.833 0.01 . 2 . . . . 59 VAL HG13 . 16006 1 754 . 1 1 59 59 VAL HG21 H 1 0.733 0.01 . 2 . . . . 59 VAL HG21 . 16006 1 755 . 1 1 59 59 VAL HG22 H 1 0.733 0.01 . 2 . . . . 59 VAL HG22 . 16006 1 756 . 1 1 59 59 VAL HG23 H 1 0.733 0.01 . 2 . . . . 59 VAL HG23 . 16006 1 757 . 1 1 59 59 VAL C C 13 175.050 0.080 . 1 . . . . 59 VAL C . 16006 1 758 . 1 1 59 59 VAL CA C 13 62.140 0.200 . 1 . . . . 59 VAL CA . 16006 1 759 . 1 1 59 59 VAL CB C 13 32.709 0.200 . 1 . . . . 59 VAL CB . 16006 1 760 . 1 1 59 59 VAL CG1 C 13 21.539 0.200 . 2 . . . . 59 VAL CG1 . 16006 1 761 . 1 1 59 59 VAL CG2 C 13 21.516 0.200 . 2 . . . . 59 VAL CG2 . 16006 1 762 . 1 1 59 59 VAL N N 15 123.920 0.200 . 1 . . . . 59 VAL N . 16006 1 763 . 1 1 60 60 ILE H H 1 8.896 0.01 . 1 . . . . 60 ILE H . 16006 1 764 . 1 1 60 60 ILE HA H 1 4.535 0.01 . 1 . . . . 60 ILE HA . 16006 1 765 . 1 1 60 60 ILE HB H 1 1.498 0.01 . 1 . . . . 60 ILE HB . 16006 1 766 . 1 1 60 60 ILE HD11 H 1 0.326 0.01 . 1 . . . . 60 ILE HD11 . 16006 1 767 . 1 1 60 60 ILE HD12 H 1 0.326 0.01 . 1 . . . . 60 ILE HD12 . 16006 1 768 . 1 1 60 60 ILE HD13 H 1 0.326 0.01 . 1 . . . . 60 ILE HD13 . 16006 1 769 . 1 1 60 60 ILE HG12 H 1 1.182 0.01 . 2 . . . . 60 ILE HG12 . 16006 1 770 . 1 1 60 60 ILE HG13 H 1 0.753 0.01 . 2 . . . . 60 ILE HG13 . 16006 1 771 . 1 1 60 60 ILE HG21 H 1 0.627 0.01 . 1 . . . . 60 ILE HG21 . 16006 1 772 . 1 1 60 60 ILE HG22 H 1 0.627 0.01 . 1 . . . . 60 ILE HG22 . 16006 1 773 . 1 1 60 60 ILE HG23 H 1 0.627 0.01 . 1 . . . . 60 ILE HG23 . 16006 1 774 . 1 1 60 60 ILE C C 13 173.680 0.080 . 1 . . . . 60 ILE C . 16006 1 775 . 1 1 60 60 ILE CA C 13 59.610 0.200 . 1 . . . . 60 ILE CA . 16006 1 776 . 1 1 60 60 ILE CB C 13 40.953 0.200 . 1 . . . . 60 ILE CB . 16006 1 777 . 1 1 60 60 ILE CD1 C 13 14.021 0.200 . 1 . . . . 60 ILE CD1 . 16006 1 778 . 1 1 60 60 ILE CG1 C 13 27.160 0.200 . 1 . . . . 60 ILE CG1 . 16006 1 779 . 1 1 60 60 ILE CG2 C 13 18.446 0.200 . 1 . . . . 60 ILE CG2 . 16006 1 780 . 1 1 60 60 ILE N N 15 125.750 0.200 . 1 . . . . 60 ILE N . 16006 1 781 . 1 1 61 61 GLU H H 1 9.330 0.01 . 1 . . . . 61 GLU H . 16006 1 782 . 1 1 61 61 GLU HA H 1 5.020 0.01 . 1 . . . . 61 GLU HA . 16006 1 783 . 1 1 61 61 GLU HB2 H 1 1.958 0.01 . 2 . . . . 61 GLU HB2 . 16006 1 784 . 1 1 61 61 GLU HB3 H 1 1.935 0.01 . 2 . . . . 61 GLU HB3 . 16006 1 785 . 1 1 61 61 GLU HG2 H 1 2.099 0.01 . 2 . . . . 61 GLU HG2 . 16006 1 786 . 1 1 61 61 GLU HG3 H 1 2.024 0.01 . 2 . . . . 61 GLU HG3 . 16006 1 787 . 1 1 61 61 GLU C C 13 173.750 0.080 . 1 . . . . 61 GLU C . 16006 1 788 . 1 1 61 61 GLU CA C 13 53.920 0.200 . 1 . . . . 61 GLU CA . 16006 1 789 . 1 1 61 61 GLU CB C 13 34.725 0.200 . 1 . . . . 61 GLU CB . 16006 1 790 . 1 1 61 61 GLU CG C 13 35.066 0.200 . 1 . . . . 61 GLU CG . 16006 1 791 . 1 1 61 61 GLU N N 15 123.510 0.200 . 1 . . . . 61 GLU N . 16006 1 792 . 1 1 62 62 LYS H H 1 7.343 0.01 . 1 . . . . 62 LYS H . 16006 1 793 . 1 1 62 62 LYS HA H 1 3.448 0.01 . 1 . . . . 62 LYS HA . 16006 1 794 . 1 1 62 62 LYS HB2 H 1 1.686 0.01 . 2 . . . . 62 LYS HB2 . 16006 1 795 . 1 1 62 62 LYS HB3 H 1 1.686 0.01 . 2 . . . . 62 LYS HB3 . 16006 1 796 . 1 1 62 62 LYS HD2 H 1 1.751 0.01 . 2 . . . . 62 LYS HD2 . 16006 1 797 . 1 1 62 62 LYS HD3 H 1 1.669 0.01 . 2 . . . . 62 LYS HD3 . 16006 1 798 . 1 1 62 62 LYS HE2 H 1 3.010 0.01 . 2 . . . . 62 LYS HE2 . 16006 1 799 . 1 1 62 62 LYS HE3 H 1 3.046 0.01 . 2 . . . . 62 LYS HE3 . 16006 1 800 . 1 1 62 62 LYS HG2 H 1 1.371 0.01 . 2 . . . . 62 LYS HG2 . 16006 1 801 . 1 1 62 62 LYS HG3 H 1 1.117 0.01 . 2 . . . . 62 LYS HG3 . 16006 1 802 . 1 1 62 62 LYS C C 13 176.600 0.080 . 1 . . . . 62 LYS C . 16006 1 803 . 1 1 62 62 LYS CA C 13 58.100 0.200 . 1 . . . . 62 LYS CA . 16006 1 804 . 1 1 62 62 LYS CB C 13 33.612 0.200 . 1 . . . . 62 LYS CB . 16006 1 805 . 1 1 62 62 LYS CD C 13 30.232 0.200 . 1 . . . . 62 LYS CD . 16006 1 806 . 1 1 62 62 LYS CE C 13 42.317 0.200 . 1 . . . . 62 LYS CE . 16006 1 807 . 1 1 62 62 LYS CG C 13 24.181 0.200 . 1 . . . . 62 LYS CG . 16006 1 808 . 1 1 62 62 LYS N N 15 117.940 0.200 . 1 . . . . 62 LYS N . 16006 1 809 . 1 1 63 63 GLY H H 1 8.959 0.01 . 1 . . . . 63 GLY H . 16006 1 810 . 1 1 63 63 GLY HA2 H 1 3.597 0.01 . 2 . . . . 63 GLY HA2 . 16006 1 811 . 1 1 63 63 GLY HA3 H 1 4.362 0.01 . 2 . . . . 63 GLY HA3 . 16006 1 812 . 1 1 63 63 GLY C C 13 173.780 0.080 . 1 . . . . 63 GLY C . 16006 1 813 . 1 1 63 63 GLY CA C 13 44.764 0.200 . 1 . . . . 63 GLY CA . 16006 1 814 . 1 1 63 63 GLY N N 15 116.060 0.200 . 1 . . . . 63 GLY N . 16006 1 815 . 1 1 64 64 ASP H H 1 7.990 0.01 . 1 . . . . 64 ASP H . 16006 1 816 . 1 1 64 64 ASP HA H 1 5.005 0.01 . 1 . . . . 64 ASP HA . 16006 1 817 . 1 1 64 64 ASP HB2 H 1 2.694 0.01 . 2 . . . . 64 ASP HB2 . 16006 1 818 . 1 1 64 64 ASP HB3 H 1 2.218 0.01 . 2 . . . . 64 ASP HB3 . 16006 1 819 . 1 1 64 64 ASP C C 13 174.510 0.080 . 1 . . . . 64 ASP C . 16006 1 820 . 1 1 64 64 ASP CA C 13 55.200 0.200 . 1 . . . . 64 ASP CA . 16006 1 821 . 1 1 64 64 ASP CB C 13 42.115 0.200 . 1 . . . . 64 ASP CB . 16006 1 822 . 1 1 64 64 ASP N N 15 120.920 0.200 . 1 . . . . 64 ASP N . 16006 1 823 . 1 1 65 65 LEU H H 1 9.074 0.01 . 1 . . . . 65 LEU H . 16006 1 824 . 1 1 65 65 LEU HA H 1 5.600 0.01 . 1 . . . . 65 LEU HA . 16006 1 825 . 1 1 65 65 LEU HB2 H 1 2.047 0.01 . 2 . . . . 65 LEU HB2 . 16006 1 826 . 1 1 65 65 LEU HB3 H 1 1.051 0.01 . 2 . . . . 65 LEU HB3 . 16006 1 827 . 1 1 65 65 LEU HD11 H 1 0.862 0.01 . 2 . . . . 65 LEU HD11 . 16006 1 828 . 1 1 65 65 LEU HD12 H 1 0.862 0.01 . 2 . . . . 65 LEU HD12 . 16006 1 829 . 1 1 65 65 LEU HD13 H 1 0.862 0.01 . 2 . . . . 65 LEU HD13 . 16006 1 830 . 1 1 65 65 LEU HD21 H 1 0.694 0.01 . 2 . . . . 65 LEU HD21 . 16006 1 831 . 1 1 65 65 LEU HD22 H 1 0.694 0.01 . 2 . . . . 65 LEU HD22 . 16006 1 832 . 1 1 65 65 LEU HD23 H 1 0.694 0.01 . 2 . . . . 65 LEU HD23 . 16006 1 833 . 1 1 65 65 LEU HG H 1 1.426 0.01 . 1 . . . . 65 LEU HG . 16006 1 834 . 1 1 65 65 LEU C C 13 175.800 0.080 . 1 . . . . 65 LEU C . 16006 1 835 . 1 1 65 65 LEU CA C 13 53.570 0.200 . 1 . . . . 65 LEU CA . 16006 1 836 . 1 1 65 65 LEU CB C 13 45.660 0.200 . 1 . . . . 65 LEU CB . 16006 1 837 . 1 1 65 65 LEU CD1 C 13 24.822 0.200 . 2 . . . . 65 LEU CD1 . 16006 1 838 . 1 1 65 65 LEU CD2 C 13 27.009 0.200 . 2 . . . . 65 LEU CD2 . 16006 1 839 . 1 1 65 65 LEU CG C 13 27.421 0.200 . 1 . . . . 65 LEU CG . 16006 1 840 . 1 1 65 65 LEU N N 15 123.160 0.200 . 1 . . . . 65 LEU N . 16006 1 841 . 1 1 66 66 VAL H H 1 9.677 0.01 . 1 . . . . 66 VAL H . 16006 1 842 . 1 1 66 66 VAL HA H 1 4.941 0.01 . 1 . . . . 66 VAL HA . 16006 1 843 . 1 1 66 66 VAL HB H 1 1.963 0.01 . 1 . . . . 66 VAL HB . 16006 1 844 . 1 1 66 66 VAL HG11 H 1 -0.104 0.01 . 2 . . . . 66 VAL HG11 . 16006 1 845 . 1 1 66 66 VAL HG12 H 1 -0.104 0.01 . 2 . . . . 66 VAL HG12 . 16006 1 846 . 1 1 66 66 VAL HG13 H 1 -0.104 0.01 . 2 . . . . 66 VAL HG13 . 16006 1 847 . 1 1 66 66 VAL HG21 H 1 0.708 0.01 . 2 . . . . 66 VAL HG21 . 16006 1 848 . 1 1 66 66 VAL HG22 H 1 0.708 0.01 . 2 . . . . 66 VAL HG22 . 16006 1 849 . 1 1 66 66 VAL HG23 H 1 0.708 0.01 . 2 . . . . 66 VAL HG23 . 16006 1 850 . 1 1 66 66 VAL C C 13 175.160 0.080 . 1 . . . . 66 VAL C . 16006 1 851 . 1 1 66 66 VAL CA C 13 60.480 0.200 . 1 . . . . 66 VAL CA . 16006 1 852 . 1 1 66 66 VAL CB C 13 34.552 0.200 . 1 . . . . 66 VAL CB . 16006 1 853 . 1 1 66 66 VAL CG1 C 13 22.264 0.200 . 2 . . . . 66 VAL CG1 . 16006 1 854 . 1 1 66 66 VAL CG2 C 13 22.415 0.200 . 2 . . . . 66 VAL CG2 . 16006 1 855 . 1 1 66 66 VAL N N 15 130.590 0.200 . 1 . . . . 66 VAL N . 16006 1 856 . 1 1 67 67 THR H H 1 8.918 0.01 . 1 . . . . 67 THR H . 16006 1 857 . 1 1 67 67 THR HA H 1 5.394 0.01 . 1 . . . . 67 THR HA . 16006 1 858 . 1 1 67 67 THR HB H 1 3.781 0.01 . 1 . . . . 67 THR HB . 16006 1 859 . 1 1 67 67 THR HG21 H 1 1.104 0.01 . 1 . . . . 67 THR HG21 . 16006 1 860 . 1 1 67 67 THR HG22 H 1 1.104 0.01 . 1 . . . . 67 THR HG22 . 16006 1 861 . 1 1 67 67 THR HG23 H 1 1.104 0.01 . 1 . . . . 67 THR HG23 . 16006 1 862 . 1 1 67 67 THR C C 13 173.210 0.080 . 1 . . . . 67 THR C . 16006 1 863 . 1 1 67 67 THR CA C 13 61.820 0.200 . 1 . . . . 67 THR CA . 16006 1 864 . 1 1 67 67 THR CB C 13 70.730 0.200 . 1 . . . . 67 THR CB . 16006 1 865 . 1 1 67 67 THR CG2 C 13 20.714 0.200 . 1 . . . . 67 THR CG2 . 16006 1 866 . 1 1 67 67 THR N N 15 121.587 0.200 . 1 . . . . 67 THR N . 16006 1 867 . 1 1 68 68 PHE H H 1 9.720 0.01 . 1 . . . . 68 PHE H . 16006 1 868 . 1 1 68 68 PHE HA H 1 4.447 0.01 . 1 . . . . 68 PHE HA . 16006 1 869 . 1 1 68 68 PHE HB2 H 1 1.287 0.01 . 2 . . . . 68 PHE HB2 . 16006 1 870 . 1 1 68 68 PHE HB3 H 1 2.067 0.01 . 2 . . . . 68 PHE HB3 . 16006 1 871 . 1 1 68 68 PHE HD1 H 1 6.606 0.01 . 3 . . . . 68 PHE HD1 . 16006 1 872 . 1 1 68 68 PHE HD2 H 1 6.606 0.01 . 3 . . . . 68 PHE HD2 . 16006 1 873 . 1 1 68 68 PHE HE1 H 1 6.847 0.01 . 3 . . . . 68 PHE HE1 . 16006 1 874 . 1 1 68 68 PHE HE2 H 1 6.847 0.01 . 3 . . . . 68 PHE HE2 . 16006 1 875 . 1 1 68 68 PHE HZ H 1 6.485 0.01 . 1 . . . . 68 PHE HZ . 16006 1 876 . 1 1 68 68 PHE CA C 13 54.060 0.200 . 1 . . . . 68 PHE CA . 16006 1 877 . 1 1 68 68 PHE CB C 13 39.677 0.200 . 1 . . . . 68 PHE CB . 16006 1 878 . 1 1 68 68 PHE CD1 C 13 132.342 0.200 . 3 . . . . 68 PHE CD1 . 16006 1 879 . 1 1 68 68 PHE CE1 C 13 130.386 0.200 . 3 . . . . 68 PHE CE1 . 16006 1 880 . 1 1 68 68 PHE CZ C 13 128.624 0.200 . 1 . . . . 68 PHE CZ . 16006 1 881 . 1 1 68 68 PHE N N 15 128.960 0.200 . 1 . . . . 68 PHE N . 16006 1 882 . 1 1 69 69 PRO HA H 1 4.633 0.01 . 1 . . . . 69 PRO HA . 16006 1 883 . 1 1 69 69 PRO HB2 H 1 2.027 0.01 . 2 . . . . 69 PRO HB2 . 16006 1 884 . 1 1 69 69 PRO HB3 H 1 2.027 0.01 . 2 . . . . 69 PRO HB3 . 16006 1 885 . 1 1 69 69 PRO HD2 H 1 3.710 0.01 . 2 . . . . 69 PRO HD2 . 16006 1 886 . 1 1 69 69 PRO HD3 H 1 3.430 0.01 . 2 . . . . 69 PRO HD3 . 16006 1 887 . 1 1 69 69 PRO HG2 H 1 2.061 0.01 . 2 . . . . 69 PRO HG2 . 16006 1 888 . 1 1 69 69 PRO HG3 H 1 1.882 0.01 . 2 . . . . 69 PRO HG3 . 16006 1 889 . 1 1 69 69 PRO C C 13 174.720 0.080 . 1 . . . . 69 PRO C . 16006 1 890 . 1 1 69 69 PRO CA C 13 60.990 0.200 . 1 . . . . 69 PRO CA . 16006 1 891 . 1 1 69 69 PRO CB C 13 32.173 0.200 . 1 . . . . 69 PRO CB . 16006 1 892 . 1 1 69 69 PRO CD C 13 50.848 0.200 . 1 . . . . 69 PRO CD . 16006 1 893 . 1 1 69 69 PRO CG C 13 27.246 0.200 . 1 . . . . 69 PRO CG . 16006 1 894 . 1 1 70 70 LYS H H 1 7.304 0.01 . 1 . . . . 70 LYS H . 16006 1 895 . 1 1 70 70 LYS HA H 1 3.384 0.01 . 1 . . . . 70 LYS HA . 16006 1 896 . 1 1 70 70 LYS HB2 H 1 1.306 0.01 . 2 . . . . 70 LYS HB2 . 16006 1 897 . 1 1 70 70 LYS HB3 H 1 1.212 0.01 . 2 . . . . 70 LYS HB3 . 16006 1 898 . 1 1 70 70 LYS HD2 H 1 1.523 0.01 . 2 . . . . 70 LYS HD2 . 16006 1 899 . 1 1 70 70 LYS HD3 H 1 1.488 0.01 . 2 . . . . 70 LYS HD3 . 16006 1 900 . 1 1 70 70 LYS HE2 H 1 2.882 0.01 . 2 . . . . 70 LYS HE2 . 16006 1 901 . 1 1 70 70 LYS HE3 H 1 2.882 0.01 . 2 . . . . 70 LYS HE3 . 16006 1 902 . 1 1 70 70 LYS HG2 H 1 0.886 0.01 . 2 . . . . 70 LYS HG2 . 16006 1 903 . 1 1 70 70 LYS HG3 H 1 1.001 0.01 . 2 . . . . 70 LYS HG3 . 16006 1 904 . 1 1 70 70 LYS C C 13 177.130 0.080 . 1 . . . . 70 LYS C . 16006 1 905 . 1 1 70 70 LYS CA C 13 57.150 0.200 . 1 . . . . 70 LYS CA . 16006 1 906 . 1 1 70 70 LYS CB C 13 33.133 0.200 . 1 . . . . 70 LYS CB . 16006 1 907 . 1 1 70 70 LYS CD C 13 29.939 0.200 . 1 . . . . 70 LYS CD . 16006 1 908 . 1 1 70 70 LYS CE C 13 42.241 0.200 . 1 . . . . 70 LYS CE . 16006 1 909 . 1 1 70 70 LYS CG C 13 24.446 0.200 . 1 . . . . 70 LYS CG . 16006 1 910 . 1 1 70 70 LYS N N 15 119.440 0.200 . 1 . . . . 70 LYS N . 16006 1 911 . 1 1 71 71 GLY H H 1 9.368 0.01 . 1 . . . . 71 GLY H . 16006 1 912 . 1 1 71 71 GLY HA2 H 1 3.504 0.01 . 2 . . . . 71 GLY HA2 . 16006 1 913 . 1 1 71 71 GLY HA3 H 1 4.298 0.01 . 2 . . . . 71 GLY HA3 . 16006 1 914 . 1 1 71 71 GLY C C 13 174.040 0.080 . 1 . . . . 71 GLY C . 16006 1 915 . 1 1 71 71 GLY CA C 13 44.285 0.200 . 1 . . . . 71 GLY CA . 16006 1 916 . 1 1 71 71 GLY N N 15 115.110 0.200 . 1 . . . . 71 GLY N . 16006 1 917 . 1 1 72 72 LEU H H 1 7.615 0.01 . 1 . . . . 72 LEU H . 16006 1 918 . 1 1 72 72 LEU HA H 1 4.354 0.01 . 1 . . . . 72 LEU HA . 16006 1 919 . 1 1 72 72 LEU HB2 H 1 2.119 0.01 . 2 . . . . 72 LEU HB2 . 16006 1 920 . 1 1 72 72 LEU HB3 H 1 1.552 0.01 . 2 . . . . 72 LEU HB3 . 16006 1 921 . 1 1 72 72 LEU HD11 H 1 0.909 0.01 . 2 . . . . 72 LEU HD11 . 16006 1 922 . 1 1 72 72 LEU HD12 H 1 0.909 0.01 . 2 . . . . 72 LEU HD12 . 16006 1 923 . 1 1 72 72 LEU HD13 H 1 0.909 0.01 . 2 . . . . 72 LEU HD13 . 16006 1 924 . 1 1 72 72 LEU HD21 H 1 1.071 0.01 . 2 . . . . 72 LEU HD21 . 16006 1 925 . 1 1 72 72 LEU HD22 H 1 1.071 0.01 . 2 . . . . 72 LEU HD22 . 16006 1 926 . 1 1 72 72 LEU HD23 H 1 1.071 0.01 . 2 . . . . 72 LEU HD23 . 16006 1 927 . 1 1 72 72 LEU HG H 1 1.525 0.01 . 1 . . . . 72 LEU HG . 16006 1 928 . 1 1 72 72 LEU C C 13 174.470 0.080 . 1 . . . . 72 LEU C . 16006 1 929 . 1 1 72 72 LEU CA C 13 56.030 0.200 . 1 . . . . 72 LEU CA . 16006 1 930 . 1 1 72 72 LEU CB C 13 42.790 0.200 . 1 . . . . 72 LEU CB . 16006 1 931 . 1 1 72 72 LEU CD1 C 13 27.881 0.200 . 2 . . . . 72 LEU CD1 . 16006 1 932 . 1 1 72 72 LEU CD2 C 13 24.739 0.200 . 2 . . . . 72 LEU CD2 . 16006 1 933 . 1 1 72 72 LEU CG C 13 27.440 0.200 . 1 . . . . 72 LEU CG . 16006 1 934 . 1 1 72 72 LEU N N 15 122.850 0.200 . 1 . . . . 72 LEU N . 16006 1 935 . 1 1 73 73 ARG H H 1 8.495 0.01 . 1 . . . . 73 ARG H . 16006 1 936 . 1 1 73 73 ARG HA H 1 5.252 0.01 . 1 . . . . 73 ARG HA . 16006 1 937 . 1 1 73 73 ARG HB2 H 1 1.793 0.01 . 2 . . . . 73 ARG HB2 . 16006 1 938 . 1 1 73 73 ARG HB3 H 1 1.924 0.01 . 2 . . . . 73 ARG HB3 . 16006 1 939 . 1 1 73 73 ARG HD2 H 1 3.184 0.01 . 2 . . . . 73 ARG HD2 . 16006 1 940 . 1 1 73 73 ARG HD3 H 1 3.184 0.01 . 2 . . . . 73 ARG HD3 . 16006 1 941 . 1 1 73 73 ARG HE H 1 7.275 0.01 . 1 . . . . 73 ARG HE . 16006 1 942 . 1 1 73 73 ARG HG2 H 1 1.538 0.01 . 2 . . . . 73 ARG HG2 . 16006 1 943 . 1 1 73 73 ARG HG3 H 1 1.419 0.01 . 2 . . . . 73 ARG HG3 . 16006 1 944 . 1 1 73 73 ARG C C 13 175.390 0.080 . 1 . . . . 73 ARG C . 16006 1 945 . 1 1 73 73 ARG CA C 13 55.410 0.200 . 1 . . . . 73 ARG CA . 16006 1 946 . 1 1 73 73 ARG CB C 13 32.250 0.200 . 1 . . . . 73 ARG CB . 16006 1 947 . 1 1 73 73 ARG CD C 13 43.489 0.200 . 1 . . . . 73 ARG CD . 16006 1 948 . 1 1 73 73 ARG CG C 13 28.840 0.200 . 1 . . . . 73 ARG CG . 16006 1 949 . 1 1 73 73 ARG N N 15 127.030 0.200 . 1 . . . . 73 ARG N . 16006 1 950 . 1 1 73 73 ARG NE N 15 84.094 0.200 . 1 . . . . 73 ARG NE . 16006 1 951 . 1 1 74 74 CYS H H 1 9.021 0.01 . 1 . . . . 74 CYS H . 16006 1 952 . 1 1 74 74 CYS HA H 1 5.381 0.01 . 1 . . . . 74 CYS HA . 16006 1 953 . 1 1 74 74 CYS HB2 H 1 3.021 0.01 . 2 . . . . 74 CYS HB2 . 16006 1 954 . 1 1 74 74 CYS HB3 H 1 2.677 0.01 . 2 . . . . 74 CYS HB3 . 16006 1 955 . 1 1 74 74 CYS C C 13 170.910 0.080 . 1 . . . . 74 CYS C . 16006 1 956 . 1 1 74 74 CYS CA C 13 56.030 0.200 . 1 . . . . 74 CYS CA . 16006 1 957 . 1 1 74 74 CYS CB C 13 32.767 0.200 . 1 . . . . 74 CYS CB . 16006 1 958 . 1 1 74 74 CYS N N 15 117.350 0.200 . 1 . . . . 74 CYS N . 16006 1 959 . 1 1 75 75 ARG H H 1 8.960 0.01 . 1 . . . . 75 ARG H . 16006 1 960 . 1 1 75 75 ARG HA H 1 5.140 0.01 . 1 . . . . 75 ARG HA . 16006 1 961 . 1 1 75 75 ARG HB2 H 1 1.779 0.01 . 2 . . . . 75 ARG HB2 . 16006 1 962 . 1 1 75 75 ARG HB3 H 1 1.693 0.01 . 2 . . . . 75 ARG HB3 . 16006 1 963 . 1 1 75 75 ARG HD2 H 1 3.122 0.01 . 2 . . . . 75 ARG HD2 . 16006 1 964 . 1 1 75 75 ARG HD3 H 1 3.038 0.01 . 2 . . . . 75 ARG HD3 . 16006 1 965 . 1 1 75 75 ARG HE H 1 7.476 0.01 . 1 . . . . 75 ARG HE . 16006 1 966 . 1 1 75 75 ARG HG2 H 1 1.433 0.01 . 2 . . . . 75 ARG HG2 . 16006 1 967 . 1 1 75 75 ARG HG3 H 1 1.479 0.01 . 2 . . . . 75 ARG HG3 . 16006 1 968 . 1 1 75 75 ARG C C 13 175.580 0.080 . 1 . . . . 75 ARG C . 16006 1 969 . 1 1 75 75 ARG CA C 13 55.510 0.200 . 1 . . . . 75 ARG CA . 16006 1 970 . 1 1 75 75 ARG CB C 13 33.594 0.200 . 1 . . . . 75 ARG CB . 16006 1 971 . 1 1 75 75 ARG CD C 13 43.589 0.200 . 1 . . . . 75 ARG CD . 16006 1 972 . 1 1 75 75 ARG CG C 13 27.815 0.200 . 1 . . . . 75 ARG CG . 16006 1 973 . 1 1 75 75 ARG N N 15 120.830 0.200 . 1 . . . . 75 ARG N . 16006 1 974 . 1 1 75 75 ARG NE N 15 84.192 0.200 . 1 . . . . 75 ARG NE . 16006 1 975 . 1 1 76 76 TRP H H 1 9.265 0.01 . 1 . . . . 76 TRP H . 16006 1 976 . 1 1 76 76 TRP HA H 1 4.324 0.01 . 1 . . . . 76 TRP HA . 16006 1 977 . 1 1 76 76 TRP HB2 H 1 2.162 0.01 . 2 . . . . 76 TRP HB2 . 16006 1 978 . 1 1 76 76 TRP HB3 H 1 1.704 0.01 . 2 . . . . 76 TRP HB3 . 16006 1 979 . 1 1 76 76 TRP HD1 H 1 6.986 0.01 . 1 . . . . 76 TRP HD1 . 16006 1 980 . 1 1 76 76 TRP HE1 H 1 8.605 0.01 . 1 . . . . 76 TRP HE1 . 16006 1 981 . 1 1 76 76 TRP HE3 H 1 7.240 0.01 . 1 . . . . 76 TRP HE3 . 16006 1 982 . 1 1 76 76 TRP HH2 H 1 6.439 0.01 . 1 . . . . 76 TRP HH2 . 16006 1 983 . 1 1 76 76 TRP HZ2 H 1 6.828 0.01 . 1 . . . . 76 TRP HZ2 . 16006 1 984 . 1 1 76 76 TRP HZ3 H 1 6.837 0.01 . 1 . . . . 76 TRP HZ3 . 16006 1 985 . 1 1 76 76 TRP C C 13 174.190 0.080 . 1 . . . . 76 TRP C . 16006 1 986 . 1 1 76 76 TRP CA C 13 57.980 0.200 . 1 . . . . 76 TRP CA . 16006 1 987 . 1 1 76 76 TRP CB C 13 30.520 0.200 . 1 . . . . 76 TRP CB . 16006 1 988 . 1 1 76 76 TRP CD1 C 13 123.581 0.200 . 1 . . . . 76 TRP CD1 . 16006 1 989 . 1 1 76 76 TRP CE3 C 13 120.358 0.200 . 1 . . . . 76 TRP CE3 . 16006 1 990 . 1 1 76 76 TRP CH2 C 13 120.185 0.200 . 1 . . . . 76 TRP CH2 . 16006 1 991 . 1 1 76 76 TRP CZ2 C 13 116.382 0.200 . 1 . . . . 76 TRP CZ2 . 16006 1 992 . 1 1 76 76 TRP CZ3 C 13 120.129 0.200 . 1 . . . . 76 TRP CZ3 . 16006 1 993 . 1 1 76 76 TRP N N 15 127.150 0.200 . 1 . . . . 76 TRP N . 16006 1 994 . 1 1 76 76 TRP NE1 N 15 126.732 0.200 . 1 . . . . 76 TRP NE1 . 16006 1 995 . 1 1 77 77 LYS H H 1 8.599 0.01 . 1 . . . . 77 LYS H . 16006 1 996 . 1 1 77 77 LYS HA H 1 4.771 0.01 . 1 . . . . 77 LYS HA . 16006 1 997 . 1 1 77 77 LYS HB2 H 1 1.488 0.01 . 2 . . . . 77 LYS HB2 . 16006 1 998 . 1 1 77 77 LYS HB3 H 1 2.080 0.01 . 2 . . . . 77 LYS HB3 . 16006 1 999 . 1 1 77 77 LYS HD2 H 1 1.542 0.01 . 2 . . . . 77 LYS HD2 . 16006 1 1000 . 1 1 77 77 LYS HD3 H 1 1.615 0.01 . 2 . . . . 77 LYS HD3 . 16006 1 1001 . 1 1 77 77 LYS HE2 H 1 2.828 0.01 . 2 . . . . 77 LYS HE2 . 16006 1 1002 . 1 1 77 77 LYS HE3 H 1 2.828 0.01 . 2 . . . . 77 LYS HE3 . 16006 1 1003 . 1 1 77 77 LYS HG2 H 1 1.261 0.01 . 2 . . . . 77 LYS HG2 . 16006 1 1004 . 1 1 77 77 LYS HG3 H 1 1.096 0.01 . 2 . . . . 77 LYS HG3 . 16006 1 1005 . 1 1 77 77 LYS C C 13 174.860 0.080 . 1 . . . . 77 LYS C . 16006 1 1006 . 1 1 77 77 LYS CA C 13 55.620 0.200 . 1 . . . . 77 LYS CA . 16006 1 1007 . 1 1 77 77 LYS CB C 13 34.860 0.200 . 1 . . . . 77 LYS CB . 16006 1 1008 . 1 1 77 77 LYS CD C 13 30.305 0.200 . 1 . . . . 77 LYS CD . 16006 1 1009 . 1 1 77 77 LYS CE C 13 42.168 0.200 . 1 . . . . 77 LYS CE . 16006 1 1010 . 1 1 77 77 LYS CG C 13 25.861 0.200 . 1 . . . . 77 LYS CG . 16006 1 1011 . 1 1 77 77 LYS N N 15 122.400 0.200 . 1 . . . . 77 LYS N . 16006 1 1012 . 1 1 78 78 VAL H H 1 9.236 0.01 . 1 . . . . 78 VAL H . 16006 1 1013 . 1 1 78 78 VAL HA H 1 4.029 0.01 . 1 . . . . 78 VAL HA . 16006 1 1014 . 1 1 78 78 VAL HB H 1 2.488 0.01 . 1 . . . . 78 VAL HB . 16006 1 1015 . 1 1 78 78 VAL HG11 H 1 0.888 0.01 . 2 . . . . 78 VAL HG11 . 16006 1 1016 . 1 1 78 78 VAL HG12 H 1 0.888 0.01 . 2 . . . . 78 VAL HG12 . 16006 1 1017 . 1 1 78 78 VAL HG13 H 1 0.888 0.01 . 2 . . . . 78 VAL HG13 . 16006 1 1018 . 1 1 78 78 VAL HG21 H 1 1.312 0.01 . 2 . . . . 78 VAL HG21 . 16006 1 1019 . 1 1 78 78 VAL HG22 H 1 1.312 0.01 . 2 . . . . 78 VAL HG22 . 16006 1 1020 . 1 1 78 78 VAL HG23 H 1 1.312 0.01 . 2 . . . . 78 VAL HG23 . 16006 1 1021 . 1 1 78 78 VAL C C 13 175.360 0.080 . 1 . . . . 78 VAL C . 16006 1 1022 . 1 1 78 78 VAL CA C 13 63.920 0.200 . 1 . . . . 78 VAL CA . 16006 1 1023 . 1 1 78 78 VAL CB C 13 32.566 0.200 . 1 . . . . 78 VAL CB . 16006 1 1024 . 1 1 78 78 VAL CG1 C 13 23.008 0.200 . 2 . . . . 78 VAL CG1 . 16006 1 1025 . 1 1 78 78 VAL CG2 C 13 22.160 0.200 . 2 . . . . 78 VAL CG2 . 16006 1 1026 . 1 1 78 78 VAL N N 15 127.800 0.200 . 1 . . . . 78 VAL N . 16006 1 1027 . 1 1 79 79 LEU H H 1 8.657 0.01 . 1 . . . . 79 LEU H . 16006 1 1028 . 1 1 79 79 LEU HA H 1 4.330 0.01 . 1 . . . . 79 LEU HA . 16006 1 1029 . 1 1 79 79 LEU HB2 H 1 1.406 0.01 . 2 . . . . 79 LEU HB2 . 16006 1 1030 . 1 1 79 79 LEU HB3 H 1 1.609 0.01 . 2 . . . . 79 LEU HB3 . 16006 1 1031 . 1 1 79 79 LEU HD11 H 1 0.880 0.01 . 2 . . . . 79 LEU HD11 . 16006 1 1032 . 1 1 79 79 LEU HD12 H 1 0.880 0.01 . 2 . . . . 79 LEU HD12 . 16006 1 1033 . 1 1 79 79 LEU HD13 H 1 0.880 0.01 . 2 . . . . 79 LEU HD13 . 16006 1 1034 . 1 1 79 79 LEU HD21 H 1 0.762 0.01 . 2 . . . . 79 LEU HD21 . 16006 1 1035 . 1 1 79 79 LEU HD22 H 1 0.762 0.01 . 2 . . . . 79 LEU HD22 . 16006 1 1036 . 1 1 79 79 LEU HD23 H 1 0.762 0.01 . 2 . . . . 79 LEU HD23 . 16006 1 1037 . 1 1 79 79 LEU HG H 1 0.796 0.01 . 1 . . . . 79 LEU HG . 16006 1 1038 . 1 1 79 79 LEU C C 13 177.750 0.080 . 1 . . . . 79 LEU C . 16006 1 1039 . 1 1 79 79 LEU CA C 13 56.220 0.200 . 1 . . . . 79 LEU CA . 16006 1 1040 . 1 1 79 79 LEU CB C 13 43.676 0.200 . 1 . . . . 79 LEU CB . 16006 1 1041 . 1 1 79 79 LEU CD1 C 13 23.122 0.200 . 2 . . . . 79 LEU CD1 . 16006 1 1042 . 1 1 79 79 LEU CD2 C 13 23.180 0.200 . 2 . . . . 79 LEU CD2 . 16006 1 1043 . 1 1 79 79 LEU CG C 13 25.891 0.200 . 1 . . . . 79 LEU CG . 16006 1 1044 . 1 1 79 79 LEU N N 15 129.300 0.200 . 1 . . . . 79 LEU N . 16006 1 1045 . 1 1 80 80 GLU H H 1 7.975 0.01 . 1 . . . . 80 GLU H . 16006 1 1046 . 1 1 80 80 GLU HA H 1 4.565 0.01 . 1 . . . . 80 GLU HA . 16006 1 1047 . 1 1 80 80 GLU HB2 H 1 2.034 0.01 . 2 . . . . 80 GLU HB2 . 16006 1 1048 . 1 1 80 80 GLU HB3 H 1 1.581 0.01 . 2 . . . . 80 GLU HB3 . 16006 1 1049 . 1 1 80 80 GLU HG2 H 1 2.071 0.01 . 2 . . . . 80 GLU HG2 . 16006 1 1050 . 1 1 80 80 GLU HG3 H 1 2.285 0.01 . 2 . . . . 80 GLU HG3 . 16006 1 1051 . 1 1 80 80 GLU CA C 13 53.540 0.200 . 1 . . . . 80 GLU CA . 16006 1 1052 . 1 1 80 80 GLU CB C 13 32.154 0.200 . 1 . . . . 80 GLU CB . 16006 1 1053 . 1 1 80 80 GLU CG C 13 35.910 0.200 . 1 . . . . 80 GLU CG . 16006 1 1054 . 1 1 80 80 GLU N N 15 119.070 0.200 . 1 . . . . 80 GLU N . 16006 1 1055 . 1 1 81 81 PRO HA H 1 4.034 0.01 . 1 . . . . 81 PRO HA . 16006 1 1056 . 1 1 81 81 PRO HB2 H 1 2.228 0.01 . 2 . . . . 81 PRO HB2 . 16006 1 1057 . 1 1 81 81 PRO HB3 H 1 1.835 0.01 . 2 . . . . 81 PRO HB3 . 16006 1 1058 . 1 1 81 81 PRO HD2 H 1 3.643 0.01 . 2 . . . . 81 PRO HD2 . 16006 1 1059 . 1 1 81 81 PRO HD3 H 1 3.643 0.01 . 2 . . . . 81 PRO HD3 . 16006 1 1060 . 1 1 81 81 PRO HG2 H 1 1.971 0.01 . 2 . . . . 81 PRO HG2 . 16006 1 1061 . 1 1 81 81 PRO HG3 H 1 2.126 0.01 . 2 . . . . 81 PRO HG3 . 16006 1 1062 . 1 1 81 81 PRO C C 13 175.570 0.080 . 1 . . . . 81 PRO C . 16006 1 1063 . 1 1 81 81 PRO CA C 13 64.800 0.200 . 1 . . . . 81 PRO CA . 16006 1 1064 . 1 1 81 81 PRO CB C 13 32.436 0.200 . 1 . . . . 81 PRO CB . 16006 1 1065 . 1 1 81 81 PRO CD C 13 50.825 0.200 . 1 . . . . 81 PRO CD . 16006 1 1066 . 1 1 81 81 PRO CG C 13 27.981 0.200 . 1 . . . . 81 PRO CG . 16006 1 1067 . 1 1 82 82 VAL H H 1 8.335 0.01 . 1 . . . . 82 VAL H . 16006 1 1068 . 1 1 82 82 VAL HA H 1 5.162 0.01 . 1 . . . . 82 VAL HA . 16006 1 1069 . 1 1 82 82 VAL HB H 1 2.039 0.01 . 1 . . . . 82 VAL HB . 16006 1 1070 . 1 1 82 82 VAL HG11 H 1 1.236 0.01 . 2 . . . . 82 VAL HG11 . 16006 1 1071 . 1 1 82 82 VAL HG12 H 1 1.236 0.01 . 2 . . . . 82 VAL HG12 . 16006 1 1072 . 1 1 82 82 VAL HG13 H 1 1.236 0.01 . 2 . . . . 82 VAL HG13 . 16006 1 1073 . 1 1 82 82 VAL HG21 H 1 1.279 0.01 . 2 . . . . 82 VAL HG21 . 16006 1 1074 . 1 1 82 82 VAL HG22 H 1 1.279 0.01 . 2 . . . . 82 VAL HG22 . 16006 1 1075 . 1 1 82 82 VAL HG23 H 1 1.279 0.01 . 2 . . . . 82 VAL HG23 . 16006 1 1076 . 1 1 82 82 VAL C C 13 175.040 0.080 . 1 . . . . 82 VAL C . 16006 1 1077 . 1 1 82 82 VAL CA C 13 58.790 0.200 . 1 . . . . 82 VAL CA . 16006 1 1078 . 1 1 82 82 VAL CB C 13 35.809 0.200 . 1 . . . . 82 VAL CB . 16006 1 1079 . 1 1 82 82 VAL CG1 C 13 22.430 0.200 . 2 . . . . 82 VAL CG1 . 16006 1 1080 . 1 1 82 82 VAL CG2 C 13 23.492 0.200 . 2 . . . . 82 VAL CG2 . 16006 1 1081 . 1 1 82 82 VAL N N 15 122.330 0.200 . 1 . . . . 82 VAL N . 16006 1 1082 . 1 1 83 83 ARG H H 1 8.193 0.01 . 1 . . . . 83 ARG H . 16006 1 1083 . 1 1 83 83 ARG HA H 1 5.207 0.01 . 1 . . . . 83 ARG HA . 16006 1 1084 . 1 1 83 83 ARG HB2 H 1 1.650 0.01 . 2 . . . . 83 ARG HB2 . 16006 1 1085 . 1 1 83 83 ARG HB3 H 1 1.561 0.01 . 2 . . . . 83 ARG HB3 . 16006 1 1086 . 1 1 83 83 ARG HD2 H 1 3.122 0.01 . 2 . . . . 83 ARG HD2 . 16006 1 1087 . 1 1 83 83 ARG HD3 H 1 3.034 0.01 . 2 . . . . 83 ARG HD3 . 16006 1 1088 . 1 1 83 83 ARG HE H 1 7.661 0.01 . 1 . . . . 83 ARG HE . 16006 1 1089 . 1 1 83 83 ARG HG2 H 1 1.532 0.01 . 2 . . . . 83 ARG HG2 . 16006 1 1090 . 1 1 83 83 ARG HG3 H 1 1.412 0.01 . 2 . . . . 83 ARG HG3 . 16006 1 1091 . 1 1 83 83 ARG C C 13 175.090 0.080 . 1 . . . . 83 ARG C . 16006 1 1092 . 1 1 83 83 ARG CA C 13 55.620 0.200 . 1 . . . . 83 ARG CA . 16006 1 1093 . 1 1 83 83 ARG CB C 13 34.386 0.200 . 1 . . . . 83 ARG CB . 16006 1 1094 . 1 1 83 83 ARG CD C 13 43.546 0.200 . 1 . . . . 83 ARG CD . 16006 1 1095 . 1 1 83 83 ARG CG C 13 28.910 0.200 . 1 . . . . 83 ARG CG . 16006 1 1096 . 1 1 83 83 ARG N N 15 125.390 0.200 . 1 . . . . 83 ARG N . 16006 1 1097 . 1 1 83 83 ARG NE N 15 85.285 0.200 . 1 . . . . 83 ARG NE . 16006 1 1098 . 1 1 84 84 LYS H H 1 9.740 0.01 . 1 . . . . 84 LYS H . 16006 1 1099 . 1 1 84 84 LYS HA H 1 5.818 0.01 . 1 . . . . 84 LYS HA . 16006 1 1100 . 1 1 84 84 LYS HB2 H 1 1.652 0.01 . 2 . . . . 84 LYS HB2 . 16006 1 1101 . 1 1 84 84 LYS HB3 H 1 2.043 0.01 . 2 . . . . 84 LYS HB3 . 16006 1 1102 . 1 1 84 84 LYS HD2 H 1 2.030 0.01 . 2 . . . . 84 LYS HD2 . 16006 1 1103 . 1 1 84 84 LYS HD3 H 1 1.272 0.01 . 2 . . . . 84 LYS HD3 . 16006 1 1104 . 1 1 84 84 LYS HG2 H 1 2.025 0.01 . 2 . . . . 84 LYS HG2 . 16006 1 1105 . 1 1 84 84 LYS HG3 H 1 2.025 0.01 . 2 . . . . 84 LYS HG3 . 16006 1 1106 . 1 1 84 84 LYS C C 13 174.610 0.080 . 1 . . . . 84 LYS C . 16006 1 1107 . 1 1 84 84 LYS CA C 13 53.870 0.200 . 1 . . . . 84 LYS CA . 16006 1 1108 . 1 1 84 84 LYS CB C 13 37.133 0.200 . 1 . . . . 84 LYS CB . 16006 1 1109 . 1 1 84 84 LYS CD C 13 26.032 0.200 . 1 . . . . 84 LYS CD . 16006 1 1110 . 1 1 84 84 LYS CG C 13 25.766 0.200 . 1 . . . . 84 LYS CG . 16006 1 1111 . 1 1 84 84 LYS N N 15 122.170 0.200 . 1 . . . . 84 LYS N . 16006 1 1112 . 1 1 85 85 HIS H H 1 8.882 0.01 . 1 . . . . 85 HIS H . 16006 1 1113 . 1 1 85 85 HIS HA H 1 5.993 0.01 . 1 . . . . 85 HIS HA . 16006 1 1114 . 1 1 85 85 HIS HB2 H 1 3.045 0.01 . 2 . . . . 85 HIS HB2 . 16006 1 1115 . 1 1 85 85 HIS HB3 H 1 3.650 0.01 . 2 . . . . 85 HIS HB3 . 16006 1 1116 . 1 1 85 85 HIS HD2 H 1 6.994 0.01 . 1 . . . . 85 HIS HD2 . 16006 1 1117 . 1 1 85 85 HIS HE1 H 1 7.750 0.01 . 1 . . . . 85 HIS HE1 . 16006 1 1118 . 1 1 85 85 HIS C C 13 177.390 0.080 . 1 . . . . 85 HIS C . 16006 1 1119 . 1 1 85 85 HIS CA C 13 55.770 0.200 . 1 . . . . 85 HIS CA . 16006 1 1120 . 1 1 85 85 HIS CB C 13 33.020 0.200 . 1 . . . . 85 HIS CB . 16006 1 1121 . 1 1 85 85 HIS CD2 C 13 119.688 0.200 . 1 . . . . 85 HIS CD2 . 16006 1 1122 . 1 1 85 85 HIS CE1 C 13 139.921 0.200 . 1 . . . . 85 HIS CE1 . 16006 1 1123 . 1 1 85 85 HIS N N 15 122.010 0.200 . 1 . . . . 85 HIS N . 16006 1 1124 . 1 1 86 86 TYR H H 1 9.064 0.01 . 1 . . . . 86 TYR H . 16006 1 1125 . 1 1 86 86 TYR HA H 1 5.898 0.01 . 1 . . . . 86 TYR HA . 16006 1 1126 . 1 1 86 86 TYR HB2 H 1 2.953 0.01 . 2 . . . . 86 TYR HB2 . 16006 1 1127 . 1 1 86 86 TYR HB3 H 1 2.579 0.01 . 2 . . . . 86 TYR HB3 . 16006 1 1128 . 1 1 86 86 TYR HD1 H 1 6.756 0.01 . 3 . . . . 86 TYR HD1 . 16006 1 1129 . 1 1 86 86 TYR HD2 H 1 6.756 0.01 . 3 . . . . 86 TYR HD2 . 16006 1 1130 . 1 1 86 86 TYR HE1 H 1 6.574 0.01 . 3 . . . . 86 TYR HE1 . 16006 1 1131 . 1 1 86 86 TYR HE2 H 1 6.574 0.01 . 3 . . . . 86 TYR HE2 . 16006 1 1132 . 1 1 86 86 TYR C C 13 170.830 0.080 . 1 . . . . 86 TYR C . 16006 1 1133 . 1 1 86 86 TYR CA C 13 56.770 0.200 . 1 . . . . 86 TYR CA . 16006 1 1134 . 1 1 86 86 TYR CB C 13 43.420 0.200 . 1 . . . . 86 TYR CB . 16006 1 1135 . 1 1 86 86 TYR CD1 C 13 133.179 0.200 . 3 . . . . 86 TYR CD1 . 16006 1 1136 . 1 1 86 86 TYR CE1 C 13 117.888 0.200 . 3 . . . . 86 TYR CE1 . 16006 1 1137 . 1 1 86 86 TYR N N 15 120.560 0.200 . 1 . . . . 86 TYR N . 16006 1 1138 . 1 1 87 87 ASN H H 1 8.743 0.01 . 1 . . . . 87 ASN H . 16006 1 1139 . 1 1 87 87 ASN HA H 1 4.330 0.01 . 1 . . . . 87 ASN HA . 16006 1 1140 . 1 1 87 87 ASN HB2 H 1 1.333 0.01 . 2 . . . . 87 ASN HB2 . 16006 1 1141 . 1 1 87 87 ASN HB3 H 1 -0.116 0.01 . 2 . . . . 87 ASN HB3 . 16006 1 1142 . 1 1 87 87 ASN HD21 H 1 6.497 0.01 . 2 . . . . 87 ASN HD21 . 16006 1 1143 . 1 1 87 87 ASN HD22 H 1 6.413 0.01 . 2 . . . . 87 ASN HD22 . 16006 1 1144 . 1 1 87 87 ASN C C 13 173.230 0.080 . 1 . . . . 87 ASN C . 16006 1 1145 . 1 1 87 87 ASN CA C 13 52.160 0.200 . 1 . . . . 87 ASN CA . 16006 1 1146 . 1 1 87 87 ASN CB C 13 40.323 0.200 . 1 . . . . 87 ASN CB . 16006 1 1147 . 1 1 87 87 ASN N N 15 118.720 0.200 . 1 . . . . 87 ASN N . 16006 1 1148 . 1 1 87 87 ASN ND2 N 15 111.053 0.200 . 1 . . . . 87 ASN ND2 . 16006 1 1149 . 1 1 88 88 LEU H H 1 7.798 0.01 . 1 . . . . 88 LEU H . 16006 1 1150 . 1 1 88 88 LEU HA H 1 5.191 0.01 . 1 . . . . 88 LEU HA . 16006 1 1151 . 1 1 88 88 LEU HB2 H 1 1.605 0.01 . 2 . . . . 88 LEU HB2 . 16006 1 1152 . 1 1 88 88 LEU HB3 H 1 1.752 0.01 . 2 . . . . 88 LEU HB3 . 16006 1 1153 . 1 1 88 88 LEU HD11 H 1 0.996 0.01 . 2 . . . . 88 LEU HD11 . 16006 1 1154 . 1 1 88 88 LEU HD12 H 1 0.996 0.01 . 2 . . . . 88 LEU HD12 . 16006 1 1155 . 1 1 88 88 LEU HD13 H 1 0.996 0.01 . 2 . . . . 88 LEU HD13 . 16006 1 1156 . 1 1 88 88 LEU HD21 H 1 0.867 0.01 . 2 . . . . 88 LEU HD21 . 16006 1 1157 . 1 1 88 88 LEU HD22 H 1 0.867 0.01 . 2 . . . . 88 LEU HD22 . 16006 1 1158 . 1 1 88 88 LEU HD23 H 1 0.867 0.01 . 2 . . . . 88 LEU HD23 . 16006 1 1159 . 1 1 88 88 LEU HG H 1 1.788 0.01 . 1 . . . . 88 LEU HG . 16006 1 1160 . 1 1 88 88 LEU C C 13 176.500 0.080 . 1 . . . . 88 LEU C . 16006 1 1161 . 1 1 88 88 LEU CA C 13 53.680 0.200 . 1 . . . . 88 LEU CA . 16006 1 1162 . 1 1 88 88 LEU CB C 13 41.497 0.200 . 1 . . . . 88 LEU CB . 16006 1 1163 . 1 1 88 88 LEU CD1 C 13 25.550 0.200 . 2 . . . . 88 LEU CD1 . 16006 1 1164 . 1 1 88 88 LEU CD2 C 13 22.292 0.200 . 2 . . . . 88 LEU CD2 . 16006 1 1165 . 1 1 88 88 LEU CG C 13 27.158 0.200 . 1 . . . . 88 LEU CG . 16006 1 1166 . 1 1 88 88 LEU N N 15 125.520 0.200 . 1 . . . . 88 LEU N . 16006 1 1167 . 1 1 89 89 PHE H H 1 7.803 0.01 . 1 . . . . 89 PHE H . 16006 1 1168 . 1 1 89 89 PHE HA H 1 4.535 0.01 . 1 . . . . 89 PHE HA . 16006 1 1169 . 1 1 89 89 PHE HB2 H 1 2.970 0.01 . 2 . . . . 89 PHE HB2 . 16006 1 1170 . 1 1 89 89 PHE HB3 H 1 2.837 0.01 . 2 . . . . 89 PHE HB3 . 16006 1 1171 . 1 1 89 89 PHE HD1 H 1 6.973 0.01 . 3 . . . . 89 PHE HD1 . 16006 1 1172 . 1 1 89 89 PHE HD2 H 1 6.973 0.01 . 3 . . . . 89 PHE HD2 . 16006 1 1173 . 1 1 89 89 PHE HE1 H 1 7.292 0.01 . 3 . . . . 89 PHE HE1 . 16006 1 1174 . 1 1 89 89 PHE HE2 H 1 7.292 0.01 . 3 . . . . 89 PHE HE2 . 16006 1 1175 . 1 1 89 89 PHE HZ H 1 6.963 0.01 . 1 . . . . 89 PHE HZ . 16006 1 1176 . 1 1 89 89 PHE CA C 13 58.250 0.200 . 1 . . . . 89 PHE CA . 16006 1 1177 . 1 1 89 89 PHE CB C 13 39.933 0.200 . 1 . . . . 89 PHE CB . 16006 1 1178 . 1 1 89 89 PHE CD1 C 13 132.829 0.200 . 3 . . . . 89 PHE CD1 . 16006 1 1179 . 1 1 89 89 PHE CE1 C 13 131.507 0.200 . 3 . . . . 89 PHE CE1 . 16006 1 1180 . 1 1 89 89 PHE CZ C 13 129.851 0.200 . 1 . . . . 89 PHE CZ . 16006 1 1181 . 1 1 89 89 PHE N N 15 124.420 0.200 . 1 . . . . 89 PHE N . 16006 1 stop_ save_