data_18485 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18485 _Entry.Title ; Solution structure of a monomeric truncated mutant of Trypanosoma brucei 1-C-Grx1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-05-29 _Entry.Accession_date 2012-05-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _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 Massimo Bellanda . . . 18485 2 Carlo Pavan . . . 18485 3 Lorenzo Gesiot . . . 18485 4 Marcelo Comini . . . 18485 5 Bruno Manta . . . 18485 6 Stefano Mammi . . . 18485 7 Mattia Sturlese . . . 18485 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18485 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'monothiol glutaredoxin' . 18485 protein . 18485 'Trypanosoma brucei' . 18485 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18485 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 496 18485 '15N chemical shifts' 103 18485 '1H chemical shifts' 816 18485 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 3 . . 2013-06-11 2012-05-29 update BMRB 'update entry citation' 18485 2 . . 2013-04-18 2012-05-29 update BMRB 'update entry citation' 18485 1 . . 2013-04-02 2012-05-29 original author 'original release' 18485 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LTK 'BMRB Entry Tracking System' 18485 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 18485 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23259530 _Citation.Full_citation . _Citation.Title 'Iron-sulfur cluster binding by mitochondrial monothiol glutaredoxin-1 of Trypanosoma brucei: molecular basis of iron-sulfur cluster coordination and relevance for parasite infectivity' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Antioxid. Redox Signal.' _Citation.Journal_name_full 'Antioxidants and Redox Signaling' _Citation.Journal_volume 19 _Citation.Journal_issue 7 _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 665 _Citation.Page_last 682 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Bruno Manta . . . 18485 1 2 Carlo Pavan . . . 18485 1 3 Mattia Sturlese . . . 18485 1 4 Andrea Medeiros . . . 18485 1 5 Martina Crispo . . . 18485 1 6 Carsten Berndt . . . 18485 1 7 R. Krauth-Siegel . Luise . 18485 1 8 Massimo Bellanda . . . 18485 1 9 Marcelo Comini . A. . 18485 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18485 _Assembly.ID 1 _Assembly.Name 'Tb 1-C-Grx1 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Tb 1-C-Grx1 monomer' 1 $Tb_1-C-Grx1_monomer A . yes native no no . . . 18485 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Tb_1-C-Grx1_monomer _Entity.Sf_category entity _Entity.Sf_framecode Tb_1-C-Grx1_monomer _Entity.Entry_ID 18485 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 1-C-Grx1 _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 ; GAMVKKDIDDTIKSEDVVTF IKGLPEAPMCAYSKRMIDVL EALGLEYTSFDVLAHPVVRS YVKEVSEWPTIPQLFIKAEF VGGLDIVTKMLESGDLKKML RDKGITCRDL ; _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 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12325.543 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19736 . 1-C-Grx1 . . . . . 99.09 145 100.00 100.00 6.62e-71 . . . . 18485 1 2 no PDB 2LTK . "Solution Structure Of A Monomeric Truncated Mutant Of Trypanosoma Brucei 1-c-grx1" . . . . . 100.00 110 100.00 100.00 4.28e-72 . . . . 18485 1 3 no EMBL CAF02300 . "mono-cysteine glutaredoxin [Trypanosoma brucei]" . . . . . 99.09 184 100.00 100.00 2.02e-70 . . . . 18485 1 4 no EMBL CBH14109 . "glutaredoxin-like protein, putative [Trypanosoma brucei gambiense DAL972]" . . . . . 99.09 212 100.00 100.00 3.41e-70 . . . . 18485 1 5 no GB EAN76448 . "glutaredoxin-like protein [Trypanosoma brucei brucei TREU927]" . . . . . 99.09 213 100.00 100.00 3.64e-70 . . . . 18485 1 6 no REF XP_011776380 . "glutaredoxin-like protein, putative [Trypanosoma brucei gambiense DAL972]" . . . . . 99.09 212 100.00 100.00 3.41e-70 . . . . 18485 1 7 no REF XP_803662 . "glutaredoxin-like protein [Trypanosoma brucei brucei TREU927]" . . . . . 99.09 213 100.00 100.00 3.64e-70 . . . . 18485 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 . GLY . 18485 1 2 . ALA . 18485 1 3 . MET . 18485 1 4 . VAL . 18485 1 5 . LYS . 18485 1 6 . LYS . 18485 1 7 . ASP . 18485 1 8 . ILE . 18485 1 9 . ASP . 18485 1 10 . ASP . 18485 1 11 . THR . 18485 1 12 . ILE . 18485 1 13 . LYS . 18485 1 14 . SER . 18485 1 15 . GLU . 18485 1 16 . ASP . 18485 1 17 . VAL . 18485 1 18 . VAL . 18485 1 19 . THR . 18485 1 20 . PHE . 18485 1 21 . ILE . 18485 1 22 . LYS . 18485 1 23 . GLY . 18485 1 24 . LEU . 18485 1 25 . PRO . 18485 1 26 . GLU . 18485 1 27 . ALA . 18485 1 28 . PRO . 18485 1 29 . MET . 18485 1 30 . CYS . 18485 1 31 . ALA . 18485 1 32 . TYR . 18485 1 33 . SER . 18485 1 34 . LYS . 18485 1 35 . ARG . 18485 1 36 . MET . 18485 1 37 . ILE . 18485 1 38 . ASP . 18485 1 39 . VAL . 18485 1 40 . LEU . 18485 1 41 . GLU . 18485 1 42 . ALA . 18485 1 43 . LEU . 18485 1 44 . GLY . 18485 1 45 . LEU . 18485 1 46 . GLU . 18485 1 47 . TYR . 18485 1 48 . THR . 18485 1 49 . SER . 18485 1 50 . PHE . 18485 1 51 . ASP . 18485 1 52 . VAL . 18485 1 53 . LEU . 18485 1 54 . ALA . 18485 1 55 . HIS . 18485 1 56 . PRO . 18485 1 57 . VAL . 18485 1 58 . VAL . 18485 1 59 . ARG . 18485 1 60 . SER . 18485 1 61 . TYR . 18485 1 62 . VAL . 18485 1 63 . LYS . 18485 1 64 . GLU . 18485 1 65 . VAL . 18485 1 66 . SER . 18485 1 67 . GLU . 18485 1 68 . TRP . 18485 1 69 . PRO . 18485 1 70 . THR . 18485 1 71 . ILE . 18485 1 72 . PRO . 18485 1 73 . GLN . 18485 1 74 . LEU . 18485 1 75 . PHE . 18485 1 76 . ILE . 18485 1 77 . LYS . 18485 1 78 . ALA . 18485 1 79 . GLU . 18485 1 80 . PHE . 18485 1 81 . VAL . 18485 1 82 . GLY . 18485 1 83 . GLY . 18485 1 84 . LEU . 18485 1 85 . ASP . 18485 1 86 . ILE . 18485 1 87 . VAL . 18485 1 88 . THR . 18485 1 89 . LYS . 18485 1 90 . MET . 18485 1 91 . LEU . 18485 1 92 . GLU . 18485 1 93 . SER . 18485 1 94 . GLY . 18485 1 95 . ASP . 18485 1 96 . LEU . 18485 1 97 . LYS . 18485 1 98 . LYS . 18485 1 99 . MET . 18485 1 100 . LEU . 18485 1 101 . ARG . 18485 1 102 . ASP . 18485 1 103 . LYS . 18485 1 104 . GLY . 18485 1 105 . ILE . 18485 1 106 . THR . 18485 1 107 . CYS . 18485 1 108 . ARG . 18485 1 109 . ASP . 18485 1 110 . LEU . 18485 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18485 1 . ALA 2 2 18485 1 . MET 3 3 18485 1 . VAL 4 4 18485 1 . LYS 5 5 18485 1 . LYS 6 6 18485 1 . ASP 7 7 18485 1 . ILE 8 8 18485 1 . ASP 9 9 18485 1 . ASP 10 10 18485 1 . THR 11 11 18485 1 . ILE 12 12 18485 1 . LYS 13 13 18485 1 . SER 14 14 18485 1 . GLU 15 15 18485 1 . ASP 16 16 18485 1 . VAL 17 17 18485 1 . VAL 18 18 18485 1 . THR 19 19 18485 1 . PHE 20 20 18485 1 . ILE 21 21 18485 1 . LYS 22 22 18485 1 . GLY 23 23 18485 1 . LEU 24 24 18485 1 . PRO 25 25 18485 1 . GLU 26 26 18485 1 . ALA 27 27 18485 1 . PRO 28 28 18485 1 . MET 29 29 18485 1 . CYS 30 30 18485 1 . ALA 31 31 18485 1 . TYR 32 32 18485 1 . SER 33 33 18485 1 . LYS 34 34 18485 1 . ARG 35 35 18485 1 . MET 36 36 18485 1 . ILE 37 37 18485 1 . ASP 38 38 18485 1 . VAL 39 39 18485 1 . LEU 40 40 18485 1 . GLU 41 41 18485 1 . ALA 42 42 18485 1 . LEU 43 43 18485 1 . GLY 44 44 18485 1 . LEU 45 45 18485 1 . GLU 46 46 18485 1 . TYR 47 47 18485 1 . THR 48 48 18485 1 . SER 49 49 18485 1 . PHE 50 50 18485 1 . ASP 51 51 18485 1 . VAL 52 52 18485 1 . LEU 53 53 18485 1 . ALA 54 54 18485 1 . HIS 55 55 18485 1 . PRO 56 56 18485 1 . VAL 57 57 18485 1 . VAL 58 58 18485 1 . ARG 59 59 18485 1 . SER 60 60 18485 1 . TYR 61 61 18485 1 . VAL 62 62 18485 1 . LYS 63 63 18485 1 . GLU 64 64 18485 1 . VAL 65 65 18485 1 . SER 66 66 18485 1 . GLU 67 67 18485 1 . TRP 68 68 18485 1 . PRO 69 69 18485 1 . THR 70 70 18485 1 . ILE 71 71 18485 1 . PRO 72 72 18485 1 . GLN 73 73 18485 1 . LEU 74 74 18485 1 . PHE 75 75 18485 1 . ILE 76 76 18485 1 . LYS 77 77 18485 1 . ALA 78 78 18485 1 . GLU 79 79 18485 1 . PHE 80 80 18485 1 . VAL 81 81 18485 1 . GLY 82 82 18485 1 . GLY 83 83 18485 1 . LEU 84 84 18485 1 . ASP 85 85 18485 1 . ILE 86 86 18485 1 . VAL 87 87 18485 1 . THR 88 88 18485 1 . LYS 89 89 18485 1 . MET 90 90 18485 1 . LEU 91 91 18485 1 . GLU 92 92 18485 1 . SER 93 93 18485 1 . GLY 94 94 18485 1 . ASP 95 95 18485 1 . LEU 96 96 18485 1 . LYS 97 97 18485 1 . LYS 98 98 18485 1 . MET 99 99 18485 1 . LEU 100 100 18485 1 . ARG 101 101 18485 1 . ASP 102 102 18485 1 . LYS 103 103 18485 1 . GLY 104 104 18485 1 . ILE 105 105 18485 1 . THR 106 106 18485 1 . CYS 107 107 18485 1 . ARG 108 108 18485 1 . ASP 109 109 18485 1 . LEU 110 110 18485 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 18485 _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 $Tb_1-C-Grx1_monomer . 5691 organism . 'Trypanosoma brucei' kinetoplastids . . Eukaryota . Trypanosoma brucei . . . . . . . . . . . . . . . . . . . . . 18485 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 18485 _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 $Tb_1-C-Grx1_monomer . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . PETM-20 . . . . . . 18485 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18485 _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 'Tb 1-C-Grx1' '[U-13C; U-15N]' . . 1 $Tb_1-C-Grx1_monomer . . 1 . . mM . . . . 18485 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18485 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 18485 1 4 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 18485 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18485 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18485 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 18485 _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 pH 7.0 . pH 18485 1 pressure 1 . atm 18485 1 temperature 298 . K 18485 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18485 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18485 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18485 1 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 18485 _Software.ID 2 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 18485 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18485 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18485 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18485 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18485 3 processing 18485 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18485 _Software.ID 4 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18485 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18485 4 stop_ save_ save_UNIO'10 _Software.Sf_category software _Software.Sf_framecode UNIO'10 _Software.Entry_ID 18485 _Software.ID 5 _Software.Name UNIO'10 _Software.Version 2.0.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(UNIO) Torsten HERRMANN' . . 18485 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 18485 5 'structure solution' 18485 5 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18485 _Software.ID 6 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18485 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18485 6 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 18485 _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 18485 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18485 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18485 _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 . . . 18485 1 2 Spectrometer_2 Bruker Avance . 900 . . . 18485 1 3 Spectrometer_3 Bruker Avance . 500 . . . 18485 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 18485 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18485 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18485 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18485 1 4 '3D HBHA(CBCACO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18485 1 5 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18485 1 6 '3D H(CCCO)NH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18485 1 7 '3D (H)C(CCO)NH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18485 1 8 '3D H(C)CH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18485 1 9 '2D (H)CB(CGCD)HD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18485 1 10 '2D (H)CB(CGCC)H-TOCSY (Tyr-optimized)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18485 1 11 '2D (H)CB(CGCC)H-TOCSY (Phe-optimized)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18485 1 12 '3D (H)CCH-TOCSY (arom)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18485 1 13 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18485 1 14 '3D 1H-13C NOESY( aliph)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18485 1 15 '3D 1H-13C NOESY (arom)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18485 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18485 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18485 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18485 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18485 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 18485 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCACB' . . . 18485 1 2 '3D HNCO' . . . 18485 1 4 '3D HBHA(CBCACO)NH' . . . 18485 1 5 '3D HN(CO)CACB' . . . 18485 1 6 '3D H(CCCO)NH-TOCSY' . . . 18485 1 7 '3D (H)C(CCO)NH-TOCSY' . . . 18485 1 8 '3D H(C)CH-TOCSY' . . . 18485 1 9 '2D (H)CB(CGCD)HD' . . . 18485 1 10 '2D (H)CB(CGCC)H-TOCSY (Tyr-optimized)' . . . 18485 1 11 '2D (H)CB(CGCC)H-TOCSY (Phe-optimized)' . . . 18485 1 12 '3D (H)CCH-TOCSY (arom)' . . . 18485 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 2 2 ALA HA H 1 4.412 0.02 . 1 . . . A 2 ALA HA . 18485 1 2 . 1 1 2 2 ALA HB1 H 1 1.400 0.02 . 1 . . . A 2 ALA HB1 . 18485 1 3 . 1 1 2 2 ALA HB2 H 1 1.400 0.02 . 1 . . . A 2 ALA HB2 . 18485 1 4 . 1 1 2 2 ALA HB3 H 1 1.400 0.02 . 1 . . . A 2 ALA HB3 . 18485 1 5 . 1 1 2 2 ALA C C 13 177.283 0.30 . 1 . . . A 2 ALA C . 18485 1 6 . 1 1 2 2 ALA CA C 13 52.284 0.30 . 1 . . . A 2 ALA CA . 18485 1 7 . 1 1 2 2 ALA CB C 13 19.504 0.30 . 1 . . . A 2 ALA CB . 18485 1 8 . 1 1 3 3 MET H H 1 8.313 0.02 . 1 . . . A 3 MET H . 18485 1 9 . 1 1 3 3 MET HA H 1 4.458 0.02 . 1 . . . A 3 MET HA . 18485 1 10 . 1 1 3 3 MET HB2 H 1 1.910 0.02 . 2 . . . A 3 MET HB2 . 18485 1 11 . 1 1 3 3 MET HB3 H 1 1.734 0.02 . 2 . . . A 3 MET HB3 . 18485 1 12 . 1 1 3 3 MET HG2 H 1 2.301 0.02 . 2 . . . A 3 MET HG2 . 18485 1 13 . 1 1 3 3 MET HG3 H 1 2.444 0.02 . 2 . . . A 3 MET HG3 . 18485 1 14 . 1 1 3 3 MET HE1 H 1 1.880 0.02 . 1 . . . A 3 MET HE1 . 18485 1 15 . 1 1 3 3 MET HE2 H 1 1.880 0.02 . 1 . . . A 3 MET HE2 . 18485 1 16 . 1 1 3 3 MET HE3 H 1 1.880 0.02 . 1 . . . A 3 MET HE3 . 18485 1 17 . 1 1 3 3 MET C C 13 175.185 0.30 . 1 . . . A 3 MET C . 18485 1 18 . 1 1 3 3 MET CA C 13 56.001 0.30 . 1 . . . A 3 MET CA . 18485 1 19 . 1 1 3 3 MET CB C 13 34.282 0.30 . 1 . . . A 3 MET CB . 18485 1 20 . 1 1 3 3 MET CG C 13 31.687 0.30 . 1 . . . A 3 MET CG . 18485 1 21 . 1 1 3 3 MET CE C 13 16.543 0.30 . 1 . . . A 3 MET CE . 18485 1 22 . 1 1 3 3 MET N N 15 121.052 0.30 . 1 . . . A 3 MET N . 18485 1 23 . 1 1 4 4 VAL H H 1 8.432 0.02 . 1 . . . A 4 VAL H . 18485 1 24 . 1 1 4 4 VAL HA H 1 4.642 0.02 . 1 . . . A 4 VAL HA . 18485 1 25 . 1 1 4 4 VAL HB H 1 2.379 0.02 . 1 . . . A 4 VAL HB . 18485 1 26 . 1 1 4 4 VAL HG11 H 1 0.954 0.02 . 2 . . . A 4 VAL HG11 . 18485 1 27 . 1 1 4 4 VAL HG12 H 1 0.954 0.02 . 2 . . . A 4 VAL HG12 . 18485 1 28 . 1 1 4 4 VAL HG13 H 1 0.954 0.02 . 2 . . . A 4 VAL HG13 . 18485 1 29 . 1 1 4 4 VAL HG21 H 1 0.878 0.02 . 2 . . . A 4 VAL HG21 . 18485 1 30 . 1 1 4 4 VAL HG22 H 1 0.878 0.02 . 2 . . . A 4 VAL HG22 . 18485 1 31 . 1 1 4 4 VAL HG23 H 1 0.878 0.02 . 2 . . . A 4 VAL HG23 . 18485 1 32 . 1 1 4 4 VAL C C 13 176.976 0.30 . 1 . . . A 4 VAL C . 18485 1 33 . 1 1 4 4 VAL CA C 13 59.752 0.30 . 1 . . . A 4 VAL CA . 18485 1 34 . 1 1 4 4 VAL CB C 13 34.878 0.30 . 1 . . . A 4 VAL CB . 18485 1 35 . 1 1 4 4 VAL CG1 C 13 21.723 0.30 . 2 . . . A 4 VAL CG1 . 18485 1 36 . 1 1 4 4 VAL CG2 C 13 19.430 0.30 . 2 . . . A 4 VAL CG2 . 18485 1 37 . 1 1 4 4 VAL N N 15 116.976 0.30 . 1 . . . A 4 VAL N . 18485 1 38 . 1 1 5 5 LYS H H 1 8.725 0.02 . 1 . . . A 5 LYS H . 18485 1 39 . 1 1 5 5 LYS HA H 1 3.586 0.02 . 1 . . . A 5 LYS HA . 18485 1 40 . 1 1 5 5 LYS HB2 H 1 1.780 0.02 . 2 . . . A 5 LYS HB2 . 18485 1 41 . 1 1 5 5 LYS HB3 H 1 1.875 0.02 . 2 . . . A 5 LYS HB3 . 18485 1 42 . 1 1 5 5 LYS HG2 H 1 1.537 0.02 . 2 . . . A 5 LYS HG2 . 18485 1 43 . 1 1 5 5 LYS HG3 H 1 1.405 0.02 . 2 . . . A 5 LYS HG3 . 18485 1 44 . 1 1 5 5 LYS HD2 H 1 1.659 0.02 . 2 . . . A 5 LYS HD2 . 18485 1 45 . 1 1 5 5 LYS HD3 H 1 1.659 0.02 . 2 . . . A 5 LYS HD3 . 18485 1 46 . 1 1 5 5 LYS HE2 H 1 2.903 0.02 . 2 . . . A 5 LYS HE2 . 18485 1 47 . 1 1 5 5 LYS HE3 H 1 2.903 0.02 . 2 . . . A 5 LYS HE3 . 18485 1 48 . 1 1 5 5 LYS C C 13 178.205 0.30 . 1 . . . A 5 LYS C . 18485 1 49 . 1 1 5 5 LYS CA C 13 61.062 0.30 . 1 . . . A 5 LYS CA . 18485 1 50 . 1 1 5 5 LYS CB C 13 32.223 0.30 . 1 . . . A 5 LYS CB . 18485 1 51 . 1 1 5 5 LYS CG C 13 25.674 0.30 . 1 . . . A 5 LYS CG . 18485 1 52 . 1 1 5 5 LYS CD C 13 29.494 0.30 . 1 . . . A 5 LYS CD . 18485 1 53 . 1 1 5 5 LYS CE C 13 41.810 0.30 . 1 . . . A 5 LYS CE . 18485 1 54 . 1 1 5 5 LYS N N 15 123.795 0.30 . 1 . . . A 5 LYS N . 18485 1 55 . 1 1 6 6 LYS H H 1 8.395 0.02 . 1 . . . A 6 LYS H . 18485 1 56 . 1 1 6 6 LYS HA H 1 4.074 0.02 . 1 . . . A 6 LYS HA . 18485 1 57 . 1 1 6 6 LYS HB2 H 1 1.857 0.02 . 2 . . . A 6 LYS HB2 . 18485 1 58 . 1 1 6 6 LYS HB3 H 1 1.626 0.02 . 2 . . . A 6 LYS HB3 . 18485 1 59 . 1 1 6 6 LYS HG2 H 1 1.458 0.02 . 2 . . . A 6 LYS HG2 . 18485 1 60 . 1 1 6 6 LYS HG3 H 1 1.507 0.02 . 2 . . . A 6 LYS HG3 . 18485 1 61 . 1 1 6 6 LYS HD2 H 1 1.696 0.02 . 2 . . . A 6 LYS HD2 . 18485 1 62 . 1 1 6 6 LYS HD3 H 1 1.696 0.02 . 2 . . . A 6 LYS HD3 . 18485 1 63 . 1 1 6 6 LYS HE2 H 1 3.020 0.02 . 2 . . . A 6 LYS HE2 . 18485 1 64 . 1 1 6 6 LYS HE3 H 1 3.020 0.02 . 2 . . . A 6 LYS HE3 . 18485 1 65 . 1 1 6 6 LYS C C 13 176.976 0.30 . 1 . . . A 6 LYS C . 18485 1 66 . 1 1 6 6 LYS CA C 13 59.019 0.30 . 1 . . . A 6 LYS CA . 18485 1 67 . 1 1 6 6 LYS CB C 13 32.658 0.30 . 1 . . . A 6 LYS CB . 18485 1 68 . 1 1 6 6 LYS CG C 13 24.797 0.30 . 1 . . . A 6 LYS CG . 18485 1 69 . 1 1 6 6 LYS CD C 13 29.208 0.30 . 1 . . . A 6 LYS CD . 18485 1 70 . 1 1 6 6 LYS CE C 13 42.174 0.30 . 1 . . . A 6 LYS CE . 18485 1 71 . 1 1 6 6 LYS N N 15 117.559 0.30 . 1 . . . A 6 LYS N . 18485 1 72 . 1 1 7 7 ASP H H 1 7.415 0.02 . 1 . . . A 7 ASP H . 18485 1 73 . 1 1 7 7 ASP HA H 1 4.364 0.02 . 1 . . . A 7 ASP HA . 18485 1 74 . 1 1 7 7 ASP HB2 H 1 2.889 0.02 . 2 . . . A 7 ASP HB2 . 18485 1 75 . 1 1 7 7 ASP HB3 H 1 2.758 0.02 . 2 . . . A 7 ASP HB3 . 18485 1 76 . 1 1 7 7 ASP C C 13 179.180 0.30 . 1 . . . A 7 ASP C . 18485 1 77 . 1 1 7 7 ASP CA C 13 57.410 0.30 . 1 . . . A 7 ASP CA . 18485 1 78 . 1 1 7 7 ASP CB C 13 40.875 0.30 . 1 . . . A 7 ASP CB . 18485 1 79 . 1 1 7 7 ASP N N 15 116.710 0.30 . 1 . . . A 7 ASP N . 18485 1 80 . 1 1 8 8 ILE H H 1 7.302 0.02 . 1 . . . A 8 ILE H . 18485 1 81 . 1 1 8 8 ILE HA H 1 3.277 0.02 . 1 . . . A 8 ILE HA . 18485 1 82 . 1 1 8 8 ILE HB H 1 1.382 0.02 . 1 . . . A 8 ILE HB . 18485 1 83 . 1 1 8 8 ILE HG12 H 1 1.176 0.02 . 2 . . . A 8 ILE HG12 . 18485 1 84 . 1 1 8 8 ILE HG13 H 1 0.235 0.02 . 2 . . . A 8 ILE HG13 . 18485 1 85 . 1 1 8 8 ILE HG21 H 1 -0.269 0.02 . 1 . . . A 8 ILE HG21 . 18485 1 86 . 1 1 8 8 ILE HG22 H 1 -0.269 0.02 . 1 . . . A 8 ILE HG22 . 18485 1 87 . 1 1 8 8 ILE HG23 H 1 -0.269 0.02 . 1 . . . A 8 ILE HG23 . 18485 1 88 . 1 1 8 8 ILE HD11 H 1 0.366 0.02 . 1 . . . A 8 ILE HD11 . 18485 1 89 . 1 1 8 8 ILE HD12 H 1 0.366 0.02 . 1 . . . A 8 ILE HD12 . 18485 1 90 . 1 1 8 8 ILE HD13 H 1 0.366 0.02 . 1 . . . A 8 ILE HD13 . 18485 1 91 . 1 1 8 8 ILE C C 13 177.537 0.30 . 1 . . . A 8 ILE C . 18485 1 92 . 1 1 8 8 ILE CA C 13 64.560 0.30 . 1 . . . A 8 ILE CA . 18485 1 93 . 1 1 8 8 ILE CB C 13 37.069 0.30 . 1 . . . A 8 ILE CB . 18485 1 94 . 1 1 8 8 ILE CG1 C 13 27.682 0.30 . 1 . . . A 8 ILE CG1 . 18485 1 95 . 1 1 8 8 ILE CG2 C 13 16.367 0.30 . 1 . . . A 8 ILE CG2 . 18485 1 96 . 1 1 8 8 ILE CD1 C 13 14.881 0.30 . 1 . . . A 8 ILE CD1 . 18485 1 97 . 1 1 8 8 ILE N N 15 120.990 0.30 . 1 . . . A 8 ILE N . 18485 1 98 . 1 1 9 9 ASP H H 1 7.884 0.02 . 1 . . . A 9 ASP H . 18485 1 99 . 1 1 9 9 ASP HA H 1 4.207 0.02 . 1 . . . A 9 ASP HA . 18485 1 100 . 1 1 9 9 ASP HB2 H 1 2.743 0.02 . 2 . . . A 9 ASP HB2 . 18485 1 101 . 1 1 9 9 ASP HB3 H 1 2.713 0.02 . 2 . . . A 9 ASP HB3 . 18485 1 102 . 1 1 9 9 ASP C C 13 178.564 0.30 . 1 . . . A 9 ASP C . 18485 1 103 . 1 1 9 9 ASP CA C 13 58.008 0.30 . 1 . . . A 9 ASP CA . 18485 1 104 . 1 1 9 9 ASP CB C 13 41.882 0.30 . 1 . . . A 9 ASP CB . 18485 1 105 . 1 1 9 9 ASP N N 15 120.214 0.30 . 1 . . . A 9 ASP N . 18485 1 106 . 1 1 10 10 ASP H H 1 8.856 0.02 . 1 . . . A 10 ASP H . 18485 1 107 . 1 1 10 10 ASP HA H 1 4.324 0.02 . 1 . . . A 10 ASP HA . 18485 1 108 . 1 1 10 10 ASP HB2 H 1 2.816 0.02 . 2 . . . A 10 ASP HB2 . 18485 1 109 . 1 1 10 10 ASP HB3 H 1 2.653 0.02 . 2 . . . A 10 ASP HB3 . 18485 1 110 . 1 1 10 10 ASP C C 13 179.340 0.30 . 1 . . . A 10 ASP C . 18485 1 111 . 1 1 10 10 ASP CA C 13 57.186 0.30 . 1 . . . A 10 ASP CA . 18485 1 112 . 1 1 10 10 ASP CB C 13 39.913 0.30 . 1 . . . A 10 ASP CB . 18485 1 113 . 1 1 10 10 ASP N N 15 117.314 0.30 . 1 . . . A 10 ASP N . 18485 1 114 . 1 1 11 11 THR H H 1 7.670 0.02 . 1 . . . A 11 THR H . 18485 1 115 . 1 1 11 11 THR HA H 1 4.061 0.02 . 1 . . . A 11 THR HA . 18485 1 116 . 1 1 11 11 THR HB H 1 4.476 0.02 . 1 . . . A 11 THR HB . 18485 1 117 . 1 1 11 11 THR HG21 H 1 1.284 0.02 . 1 . . . A 11 THR HG21 . 18485 1 118 . 1 1 11 11 THR HG22 H 1 1.284 0.02 . 1 . . . A 11 THR HG22 . 18485 1 119 . 1 1 11 11 THR HG23 H 1 1.284 0.02 . 1 . . . A 11 THR HG23 . 18485 1 120 . 1 1 11 11 THR C C 13 175.574 0.30 . 1 . . . A 11 THR C . 18485 1 121 . 1 1 11 11 THR CA C 13 67.210 0.30 . 1 . . . A 11 THR CA . 18485 1 122 . 1 1 11 11 THR CB C 13 68.319 0.30 . 1 . . . A 11 THR CB . 18485 1 123 . 1 1 11 11 THR CG2 C 13 21.769 0.30 . 1 . . . A 11 THR CG2 . 18485 1 124 . 1 1 11 11 THR N N 15 119.032 0.30 . 1 . . . A 11 THR N . 18485 1 125 . 1 1 12 12 ILE H H 1 8.303 0.02 . 1 . . . A 12 ILE H . 18485 1 126 . 1 1 12 12 ILE HA H 1 3.639 0.02 . 1 . . . A 12 ILE HA . 18485 1 127 . 1 1 12 12 ILE HB H 1 1.951 0.02 . 1 . . . A 12 ILE HB . 18485 1 128 . 1 1 12 12 ILE HG12 H 1 0.674 0.02 . 2 . . . A 12 ILE HG12 . 18485 1 129 . 1 1 12 12 ILE HG13 H 1 1.547 0.02 . 2 . . . A 12 ILE HG13 . 18485 1 130 . 1 1 12 12 ILE HG21 H 1 0.720 0.02 . 1 . . . A 12 ILE HG21 . 18485 1 131 . 1 1 12 12 ILE HG22 H 1 0.720 0.02 . 1 . . . A 12 ILE HG22 . 18485 1 132 . 1 1 12 12 ILE HG23 H 1 0.720 0.02 . 1 . . . A 12 ILE HG23 . 18485 1 133 . 1 1 12 12 ILE HD11 H 1 0.287 0.02 . 1 . . . A 12 ILE HD11 . 18485 1 134 . 1 1 12 12 ILE HD12 H 1 0.287 0.02 . 1 . . . A 12 ILE HD12 . 18485 1 135 . 1 1 12 12 ILE HD13 H 1 0.287 0.02 . 1 . . . A 12 ILE HD13 . 18485 1 136 . 1 1 12 12 ILE C C 13 177.455 0.30 . 1 . . . A 12 ILE C . 18485 1 137 . 1 1 12 12 ILE CA C 13 64.909 0.30 . 1 . . . A 12 ILE CA . 18485 1 138 . 1 1 12 12 ILE CB C 13 37.578 0.30 . 1 . . . A 12 ILE CB . 18485 1 139 . 1 1 12 12 ILE CG1 C 13 29.687 0.30 . 1 . . . A 12 ILE CG1 . 18485 1 140 . 1 1 12 12 ILE CG2 C 13 17.299 0.30 . 1 . . . A 12 ILE CG2 . 18485 1 141 . 1 1 12 12 ILE CD1 C 13 12.417 0.30 . 1 . . . A 12 ILE CD1 . 18485 1 142 . 1 1 12 12 ILE N N 15 122.228 0.30 . 1 . . . A 12 ILE N . 18485 1 143 . 1 1 13 13 LYS H H 1 7.709 0.02 . 1 . . . A 13 LYS H . 18485 1 144 . 1 1 13 13 LYS HA H 1 4.134 0.02 . 1 . . . A 13 LYS HA . 18485 1 145 . 1 1 13 13 LYS HB2 H 1 1.861 0.02 . 2 . . . A 13 LYS HB2 . 18485 1 146 . 1 1 13 13 LYS HB3 H 1 1.947 0.02 . 2 . . . A 13 LYS HB3 . 18485 1 147 . 1 1 13 13 LYS HG2 H 1 1.618 0.02 . 2 . . . A 13 LYS HG2 . 18485 1 148 . 1 1 13 13 LYS HG3 H 1 1.486 0.02 . 2 . . . A 13 LYS HG3 . 18485 1 149 . 1 1 13 13 LYS HD2 H 1 1.669 0.02 . 2 . . . A 13 LYS HD2 . 18485 1 150 . 1 1 13 13 LYS HD3 H 1 1.669 0.02 . 2 . . . A 13 LYS HD3 . 18485 1 151 . 1 1 13 13 LYS HE2 H 1 2.997 0.02 . 2 . . . A 13 LYS HE2 . 18485 1 152 . 1 1 13 13 LYS HE3 H 1 2.997 0.02 . 2 . . . A 13 LYS HE3 . 18485 1 153 . 1 1 13 13 LYS C C 13 177.547 0.30 . 1 . . . A 13 LYS C . 18485 1 154 . 1 1 13 13 LYS CA C 13 58.400 0.30 . 1 . . . A 13 LYS CA . 18485 1 155 . 1 1 13 13 LYS CB C 13 33.006 0.30 . 1 . . . A 13 LYS CB . 18485 1 156 . 1 1 13 13 LYS CG C 13 25.988 0.30 . 1 . . . A 13 LYS CG . 18485 1 157 . 1 1 13 13 LYS CD C 13 29.052 0.30 . 1 . . . A 13 LYS CD . 18485 1 158 . 1 1 13 13 LYS CE C 13 42.101 0.30 . 1 . . . A 13 LYS CE . 18485 1 159 . 1 1 13 13 LYS N N 15 114.462 0.30 . 1 . . . A 13 LYS N . 18485 1 160 . 1 1 14 14 SER H H 1 7.749 0.02 . 1 . . . A 14 SER H . 18485 1 161 . 1 1 14 14 SER HA H 1 4.551 0.02 . 1 . . . A 14 SER HA . 18485 1 162 . 1 1 14 14 SER HB2 H 1 3.975 0.02 . 2 . . . A 14 SER HB2 . 18485 1 163 . 1 1 14 14 SER HB3 H 1 3.853 0.02 . 2 . . . A 14 SER HB3 . 18485 1 164 . 1 1 14 14 SER C C 13 174.532 0.30 . 1 . . . A 14 SER C . 18485 1 165 . 1 1 14 14 SER CA C 13 59.744 0.30 . 1 . . . A 14 SER CA . 18485 1 166 . 1 1 14 14 SER CB C 13 65.009 0.30 . 1 . . . A 14 SER CB . 18485 1 167 . 1 1 14 14 SER N N 15 112.642 0.30 . 1 . . . A 14 SER N . 18485 1 168 . 1 1 15 15 GLU H H 1 8.101 0.02 . 1 . . . A 15 GLU H . 18485 1 169 . 1 1 15 15 GLU HA H 1 4.564 0.02 . 1 . . . A 15 GLU HA . 18485 1 170 . 1 1 15 15 GLU HB2 H 1 1.699 0.02 . 2 . . . A 15 GLU HB2 . 18485 1 171 . 1 1 15 15 GLU HB3 H 1 1.963 0.02 . 2 . . . A 15 GLU HB3 . 18485 1 172 . 1 1 15 15 GLU HG2 H 1 2.485 0.02 . 2 . . . A 15 GLU HG2 . 18485 1 173 . 1 1 15 15 GLU HG3 H 1 2.304 0.02 . 2 . . . A 15 GLU HG3 . 18485 1 174 . 1 1 15 15 GLU C C 13 176.789 0.30 . 1 . . . A 15 GLU C . 18485 1 175 . 1 1 15 15 GLU CA C 13 54.445 0.30 . 1 . . . A 15 GLU CA . 18485 1 176 . 1 1 15 15 GLU CB C 13 30.326 0.30 . 1 . . . A 15 GLU CB . 18485 1 177 . 1 1 15 15 GLU CG C 13 36.300 0.30 . 1 . . . A 15 GLU CG . 18485 1 178 . 1 1 15 15 GLU N N 15 121.266 0.30 . 1 . . . A 15 GLU N . 18485 1 179 . 1 1 16 16 ASP H H 1 8.685 0.02 . 1 . . . A 16 ASP H . 18485 1 180 . 1 1 16 16 ASP HA H 1 4.340 0.02 . 1 . . . A 16 ASP HA . 18485 1 181 . 1 1 16 16 ASP HB2 H 1 2.989 0.02 . 2 . . . A 16 ASP HB2 . 18485 1 182 . 1 1 16 16 ASP HB3 H 1 2.591 0.02 . 2 . . . A 16 ASP HB3 . 18485 1 183 . 1 1 16 16 ASP C C 13 176.469 0.30 . 1 . . . A 16 ASP C . 18485 1 184 . 1 1 16 16 ASP CA C 13 58.759 0.30 . 1 . . . A 16 ASP CA . 18485 1 185 . 1 1 16 16 ASP CB C 13 40.818 0.30 . 1 . . . A 16 ASP CB . 18485 1 186 . 1 1 16 16 ASP N N 15 122.253 0.30 . 1 . . . A 16 ASP N . 18485 1 187 . 1 1 17 17 VAL H H 1 8.547 0.02 . 1 . . . A 17 VAL H . 18485 1 188 . 1 1 17 17 VAL HA H 1 4.915 0.02 . 1 . . . A 17 VAL HA . 18485 1 189 . 1 1 17 17 VAL HB H 1 2.484 0.02 . 1 . . . A 17 VAL HB . 18485 1 190 . 1 1 17 17 VAL HG11 H 1 0.934 0.02 . 2 . . . A 17 VAL HG11 . 18485 1 191 . 1 1 17 17 VAL HG12 H 1 0.934 0.02 . 2 . . . A 17 VAL HG12 . 18485 1 192 . 1 1 17 17 VAL HG13 H 1 0.934 0.02 . 2 . . . A 17 VAL HG13 . 18485 1 193 . 1 1 17 17 VAL HG21 H 1 1.065 0.02 . 2 . . . A 17 VAL HG21 . 18485 1 194 . 1 1 17 17 VAL HG22 H 1 1.065 0.02 . 2 . . . A 17 VAL HG22 . 18485 1 195 . 1 1 17 17 VAL HG23 H 1 1.065 0.02 . 2 . . . A 17 VAL HG23 . 18485 1 196 . 1 1 17 17 VAL C C 13 174.452 0.30 . 1 . . . A 17 VAL C . 18485 1 197 . 1 1 17 17 VAL CA C 13 61.903 0.30 . 1 . . . A 17 VAL CA . 18485 1 198 . 1 1 17 17 VAL CB C 13 34.377 0.30 . 1 . . . A 17 VAL CB . 18485 1 199 . 1 1 17 17 VAL CG1 C 13 23.253 0.30 . 2 . . . A 17 VAL CG1 . 18485 1 200 . 1 1 17 17 VAL CG2 C 13 21.156 0.30 . 2 . . . A 17 VAL CG2 . 18485 1 201 . 1 1 17 17 VAL N N 15 118.536 0.30 . 1 . . . A 17 VAL N . 18485 1 202 . 1 1 18 18 VAL H H 1 8.755 0.02 . 1 . . . A 18 VAL H . 18485 1 203 . 1 1 18 18 VAL HA H 1 5.255 0.02 . 1 . . . A 18 VAL HA . 18485 1 204 . 1 1 18 18 VAL HB H 1 1.846 0.02 . 1 . . . A 18 VAL HB . 18485 1 205 . 1 1 18 18 VAL HG11 H 1 0.691 0.02 . 2 . . . A 18 VAL HG11 . 18485 1 206 . 1 1 18 18 VAL HG12 H 1 0.691 0.02 . 2 . . . A 18 VAL HG12 . 18485 1 207 . 1 1 18 18 VAL HG13 H 1 0.691 0.02 . 2 . . . A 18 VAL HG13 . 18485 1 208 . 1 1 18 18 VAL HG21 H 1 0.826 0.02 . 2 . . . A 18 VAL HG21 . 18485 1 209 . 1 1 18 18 VAL HG22 H 1 0.826 0.02 . 2 . . . A 18 VAL HG22 . 18485 1 210 . 1 1 18 18 VAL HG23 H 1 0.826 0.02 . 2 . . . A 18 VAL HG23 . 18485 1 211 . 1 1 18 18 VAL C C 13 174.158 0.30 . 1 . . . A 18 VAL C . 18485 1 212 . 1 1 18 18 VAL CA C 13 60.102 0.30 . 1 . . . A 18 VAL CA . 18485 1 213 . 1 1 18 18 VAL CB C 13 36.055 0.30 . 1 . . . A 18 VAL CB . 18485 1 214 . 1 1 18 18 VAL CG1 C 13 22.235 0.30 . 2 . . . A 18 VAL CG1 . 18485 1 215 . 1 1 18 18 VAL CG2 C 13 23.226 0.30 . 2 . . . A 18 VAL CG2 . 18485 1 216 . 1 1 18 18 VAL N N 15 125.917 0.30 . 1 . . . A 18 VAL N . 18485 1 217 . 1 1 19 19 THR H H 1 8.938 0.02 . 1 . . . A 19 THR H . 18485 1 218 . 1 1 19 19 THR HA H 1 5.795 0.02 . 1 . . . A 19 THR HA . 18485 1 219 . 1 1 19 19 THR HB H 1 3.768 0.02 . 1 . . . A 19 THR HB . 18485 1 220 . 1 1 19 19 THR HG21 H 1 0.976 0.02 . 1 . . . A 19 THR HG21 . 18485 1 221 . 1 1 19 19 THR HG22 H 1 0.976 0.02 . 1 . . . A 19 THR HG22 . 18485 1 222 . 1 1 19 19 THR HG23 H 1 0.976 0.02 . 1 . . . A 19 THR HG23 . 18485 1 223 . 1 1 19 19 THR C C 13 171.126 0.30 . 1 . . . A 19 THR C . 18485 1 224 . 1 1 19 19 THR CA C 13 58.118 0.30 . 1 . . . A 19 THR CA . 18485 1 225 . 1 1 19 19 THR CB C 13 72.547 0.30 . 1 . . . A 19 THR CB . 18485 1 226 . 1 1 19 19 THR CG2 C 13 19.000 0.30 . 1 . . . A 19 THR CG2 . 18485 1 227 . 1 1 19 19 THR N N 15 120.107 0.30 . 1 . . . A 19 THR N . 18485 1 228 . 1 1 20 20 PHE H H 1 8.230 0.02 . 1 . . . A 20 PHE H . 18485 1 229 . 1 1 20 20 PHE HA H 1 5.504 0.02 . 1 . . . A 20 PHE HA . 18485 1 230 . 1 1 20 20 PHE HB2 H 1 3.052 0.02 . 2 . . . A 20 PHE HB2 . 18485 1 231 . 1 1 20 20 PHE HB3 H 1 2.810 0.02 . 2 . . . A 20 PHE HB3 . 18485 1 232 . 1 1 20 20 PHE HD1 H 1 7.165 0.02 . 3 . . . A 20 PHE HD1 . 18485 1 233 . 1 1 20 20 PHE HD2 H 1 7.165 0.02 . 3 . . . A 20 PHE HD2 . 18485 1 234 . 1 1 20 20 PHE HE1 H 1 6.754 0.02 . 3 . . . A 20 PHE HE1 . 18485 1 235 . 1 1 20 20 PHE HE2 H 1 6.754 0.02 . 3 . . . A 20 PHE HE2 . 18485 1 236 . 1 1 20 20 PHE HZ H 1 6.459 0.02 . 1 . . . A 20 PHE HZ . 18485 1 237 . 1 1 20 20 PHE C C 13 175.200 0.30 . 1 . . . A 20 PHE C . 18485 1 238 . 1 1 20 20 PHE CA C 13 56.498 0.30 . 1 . . . A 20 PHE CA . 18485 1 239 . 1 1 20 20 PHE CB C 13 41.661 0.30 . 1 . . . A 20 PHE CB . 18485 1 240 . 1 1 20 20 PHE CD2 C 13 131.565 0.30 . 3 . . . A 20 PHE CD2 . 18485 1 241 . 1 1 20 20 PHE CE2 C 13 130.713 0.30 . 3 . . . A 20 PHE CE2 . 18485 1 242 . 1 1 20 20 PHE CZ C 13 129.076 0.30 . 1 . . . A 20 PHE CZ . 18485 1 243 . 1 1 20 20 PHE N N 15 125.287 0.30 . 1 . . . A 20 PHE N . 18485 1 244 . 1 1 21 21 ILE H H 1 9.042 0.02 . 1 . . . A 21 ILE H . 18485 1 245 . 1 1 21 21 ILE HA H 1 4.812 0.02 . 1 . . . A 21 ILE HA . 18485 1 246 . 1 1 21 21 ILE HB H 1 1.755 0.02 . 1 . . . A 21 ILE HB . 18485 1 247 . 1 1 21 21 ILE HG12 H 1 0.978 0.02 . 2 . . . A 21 ILE HG12 . 18485 1 248 . 1 1 21 21 ILE HG13 H 1 1.290 0.02 . 2 . . . A 21 ILE HG13 . 18485 1 249 . 1 1 21 21 ILE HG21 H 1 1.026 0.02 . 1 . . . A 21 ILE HG21 . 18485 1 250 . 1 1 21 21 ILE HG22 H 1 1.026 0.02 . 1 . . . A 21 ILE HG22 . 18485 1 251 . 1 1 21 21 ILE HG23 H 1 1.026 0.02 . 1 . . . A 21 ILE HG23 . 18485 1 252 . 1 1 21 21 ILE HD11 H 1 0.393 0.02 . 1 . . . A 21 ILE HD11 . 18485 1 253 . 1 1 21 21 ILE HD12 H 1 0.393 0.02 . 1 . . . A 21 ILE HD12 . 18485 1 254 . 1 1 21 21 ILE HD13 H 1 0.393 0.02 . 1 . . . A 21 ILE HD13 . 18485 1 255 . 1 1 21 21 ILE C C 13 173.918 0.30 . 1 . . . A 21 ILE C . 18485 1 256 . 1 1 21 21 ILE CA C 13 59.363 0.30 . 1 . . . A 21 ILE CA . 18485 1 257 . 1 1 21 21 ILE CB C 13 43.820 0.30 . 1 . . . A 21 ILE CB . 18485 1 258 . 1 1 21 21 ILE CG1 C 13 24.499 0.30 . 1 . . . A 21 ILE CG1 . 18485 1 259 . 1 1 21 21 ILE CG2 C 13 17.823 0.30 . 1 . . . A 21 ILE CG2 . 18485 1 260 . 1 1 21 21 ILE CD1 C 13 14.179 0.30 . 1 . . . A 21 ILE CD1 . 18485 1 261 . 1 1 21 21 ILE N N 15 114.660 0.30 . 1 . . . A 21 ILE N . 18485 1 262 . 1 1 22 22 LYS H H 1 8.581 0.02 . 1 . . . A 22 LYS H . 18485 1 263 . 1 1 22 22 LYS HA H 1 4.603 0.02 . 1 . . . A 22 LYS HA . 18485 1 264 . 1 1 22 22 LYS HB2 H 1 1.542 0.02 . 2 . . . A 22 LYS HB2 . 18485 1 265 . 1 1 22 22 LYS HB3 H 1 1.908 0.02 . 2 . . . A 22 LYS HB3 . 18485 1 266 . 1 1 22 22 LYS HG2 H 1 1.093 0.02 . 2 . . . A 22 LYS HG2 . 18485 1 267 . 1 1 22 22 LYS HG3 H 1 1.480 0.02 . 2 . . . A 22 LYS HG3 . 18485 1 268 . 1 1 22 22 LYS HD2 H 1 1.732 0.02 . 2 . . . A 22 LYS HD2 . 18485 1 269 . 1 1 22 22 LYS HD3 H 1 2.053 0.02 . 2 . . . A 22 LYS HD3 . 18485 1 270 . 1 1 22 22 LYS HE2 H 1 2.860 0.02 . 2 . . . A 22 LYS HE2 . 18485 1 271 . 1 1 22 22 LYS HE3 H 1 2.860 0.02 . 2 . . . A 22 LYS HE3 . 18485 1 272 . 1 1 22 22 LYS C C 13 175.935 0.30 . 1 . . . A 22 LYS C . 18485 1 273 . 1 1 22 22 LYS CA C 13 56.698 0.30 . 1 . . . A 22 LYS CA . 18485 1 274 . 1 1 22 22 LYS CB C 13 33.193 0.30 . 1 . . . A 22 LYS CB . 18485 1 275 . 1 1 22 22 LYS CG C 13 27.008 0.30 . 1 . . . A 22 LYS CG . 18485 1 276 . 1 1 22 22 LYS CD C 13 29.411 0.30 . 1 . . . A 22 LYS CD . 18485 1 277 . 1 1 22 22 LYS CE C 13 42.487 0.30 . 1 . . . A 22 LYS CE . 18485 1 278 . 1 1 22 22 LYS N N 15 117.197 0.30 . 1 . . . A 22 LYS N . 18485 1 279 . 1 1 23 23 GLY H H 1 9.178 0.02 . 1 . . . A 23 GLY H . 18485 1 280 . 1 1 23 23 GLY HA2 H 1 4.154 0.02 . 2 . . . A 23 GLY HA2 . 18485 1 281 . 1 1 23 23 GLY HA3 H 1 3.839 0.02 . 2 . . . A 23 GLY HA3 . 18485 1 282 . 1 1 23 23 GLY C C 13 170.793 0.30 . 1 . . . A 23 GLY C . 18485 1 283 . 1 1 23 23 GLY CA C 13 44.637 0.30 . 1 . . . A 23 GLY CA . 18485 1 284 . 1 1 23 23 GLY N N 15 117.108 0.30 . 1 . . . A 23 GLY N . 18485 1 285 . 1 1 24 24 LEU H H 1 7.162 0.02 . 1 . . . A 24 LEU H . 18485 1 286 . 1 1 24 24 LEU HA H 1 4.860 0.02 . 1 . . . A 24 LEU HA . 18485 1 287 . 1 1 24 24 LEU HB2 H 1 1.691 0.02 . 2 . . . A 24 LEU HB2 . 18485 1 288 . 1 1 24 24 LEU HB3 H 1 1.286 0.02 . 2 . . . A 24 LEU HB3 . 18485 1 289 . 1 1 24 24 LEU HG H 1 1.719 0.02 . 1 . . . A 24 LEU HG . 18485 1 290 . 1 1 24 24 LEU HD11 H 1 0.987 0.02 . 2 . . . A 24 LEU HD11 . 18485 1 291 . 1 1 24 24 LEU HD12 H 1 0.987 0.02 . 2 . . . A 24 LEU HD12 . 18485 1 292 . 1 1 24 24 LEU HD13 H 1 0.987 0.02 . 2 . . . A 24 LEU HD13 . 18485 1 293 . 1 1 24 24 LEU HD21 H 1 0.938 0.02 . 2 . . . A 24 LEU HD21 . 18485 1 294 . 1 1 24 24 LEU HD22 H 1 0.938 0.02 . 2 . . . A 24 LEU HD22 . 18485 1 295 . 1 1 24 24 LEU HD23 H 1 0.938 0.02 . 2 . . . A 24 LEU HD23 . 18485 1 296 . 1 1 24 24 LEU C C 13 176.709 0.30 . 1 . . . A 24 LEU C . 18485 1 297 . 1 1 24 24 LEU CA C 13 51.950 0.30 . 1 . . . A 24 LEU CA . 18485 1 298 . 1 1 24 24 LEU CB C 13 43.008 0.30 . 1 . . . A 24 LEU CB . 18485 1 299 . 1 1 24 24 LEU CG C 13 27.030 0.30 . 1 . . . A 24 LEU CG . 18485 1 300 . 1 1 24 24 LEU CD1 C 13 23.325 0.30 . 2 . . . A 24 LEU CD1 . 18485 1 301 . 1 1 24 24 LEU CD2 C 13 25.380 0.30 . 2 . . . A 24 LEU CD2 . 18485 1 302 . 1 1 24 24 LEU N N 15 117.859 0.30 . 1 . . . A 24 LEU N . 18485 1 303 . 1 1 25 25 PRO HA H 1 3.953 0.02 . 1 . . . A 25 PRO HA . 18485 1 304 . 1 1 25 25 PRO HB2 H 1 1.984 0.02 . 2 . . . A 25 PRO HB2 . 18485 1 305 . 1 1 25 25 PRO HB3 H 1 2.688 0.02 . 2 . . . A 25 PRO HB3 . 18485 1 306 . 1 1 25 25 PRO HG2 H 1 2.298 0.02 . 2 . . . A 25 PRO HG2 . 18485 1 307 . 1 1 25 25 PRO HG3 H 1 2.027 0.02 . 2 . . . A 25 PRO HG3 . 18485 1 308 . 1 1 25 25 PRO HD2 H 1 3.744 0.02 . 2 . . . A 25 PRO HD2 . 18485 1 309 . 1 1 25 25 PRO HD3 H 1 4.077 0.02 . 2 . . . A 25 PRO HD3 . 18485 1 310 . 1 1 25 25 PRO C C 13 177.190 0.30 . 1 . . . A 25 PRO C . 18485 1 311 . 1 1 25 25 PRO CA C 13 66.322 0.30 . 1 . . . A 25 PRO CA . 18485 1 312 . 1 1 25 25 PRO CB C 13 31.724 0.30 . 1 . . . A 25 PRO CB . 18485 1 313 . 1 1 25 25 PRO CG C 13 28.572 0.30 . 1 . . . A 25 PRO CG . 18485 1 314 . 1 1 25 25 PRO CD C 13 49.515 0.30 . 1 . . . A 25 PRO CD . 18485 1 315 . 1 1 26 26 GLU H H 1 8.807 0.02 . 1 . . . A 26 GLU H . 18485 1 316 . 1 1 26 26 GLU HA H 1 4.205 0.02 . 1 . . . A 26 GLU HA . 18485 1 317 . 1 1 26 26 GLU HB2 H 1 2.017 0.02 . 2 . . . A 26 GLU HB2 . 18485 1 318 . 1 1 26 26 GLU HB3 H 1 2.017 0.02 . 2 . . . A 26 GLU HB3 . 18485 1 319 . 1 1 26 26 GLU HG2 H 1 2.127 0.02 . 2 . . . A 26 GLU HG2 . 18485 1 320 . 1 1 26 26 GLU HG3 H 1 2.234 0.02 . 2 . . . A 26 GLU HG3 . 18485 1 321 . 1 1 26 26 GLU C C 13 176.429 0.30 . 1 . . . A 26 GLU C . 18485 1 322 . 1 1 26 26 GLU CA C 13 56.743 0.30 . 1 . . . A 26 GLU CA . 18485 1 323 . 1 1 26 26 GLU CB C 13 28.698 0.30 . 1 . . . A 26 GLU CB . 18485 1 324 . 1 1 26 26 GLU CG C 13 35.734 0.30 . 1 . . . A 26 GLU CG . 18485 1 325 . 1 1 26 26 GLU N N 15 111.260 0.30 . 1 . . . A 26 GLU N . 18485 1 326 . 1 1 27 27 ALA H H 1 7.856 0.02 . 1 . . . A 27 ALA H . 18485 1 327 . 1 1 27 27 ALA HA H 1 4.587 0.02 . 1 . . . A 27 ALA HA . 18485 1 328 . 1 1 27 27 ALA HB1 H 1 1.231 0.02 . 1 . . . A 27 ALA HB1 . 18485 1 329 . 1 1 27 27 ALA HB2 H 1 1.231 0.02 . 1 . . . A 27 ALA HB2 . 18485 1 330 . 1 1 27 27 ALA HB3 H 1 1.231 0.02 . 1 . . . A 27 ALA HB3 . 18485 1 331 . 1 1 27 27 ALA C C 13 172.342 0.30 . 1 . . . A 27 ALA C . 18485 1 332 . 1 1 27 27 ALA CA C 13 50.884 0.30 . 1 . . . A 27 ALA CA . 18485 1 333 . 1 1 27 27 ALA CB C 13 18.695 0.30 . 1 . . . A 27 ALA CB . 18485 1 334 . 1 1 27 27 ALA N N 15 122.547 0.30 . 1 . . . A 27 ALA N . 18485 1 335 . 1 1 28 28 PRO HA H 1 4.642 0.02 . 1 . . . A 28 PRO HA . 18485 1 336 . 1 1 28 28 PRO HB2 H 1 1.820 0.02 . 2 . . . A 28 PRO HB2 . 18485 1 337 . 1 1 28 28 PRO HB3 H 1 2.039 0.02 . 2 . . . A 28 PRO HB3 . 18485 1 338 . 1 1 28 28 PRO HG2 H 1 2.002 0.02 . 2 . . . A 28 PRO HG2 . 18485 1 339 . 1 1 28 28 PRO HG3 H 1 1.946 0.02 . 2 . . . A 28 PRO HG3 . 18485 1 340 . 1 1 28 28 PRO HD2 H 1 3.457 0.02 . 2 . . . A 28 PRO HD2 . 18485 1 341 . 1 1 28 28 PRO HD3 H 1 3.664 0.02 . 2 . . . A 28 PRO HD3 . 18485 1 342 . 1 1 28 28 PRO C C 13 178.512 0.30 . 1 . . . A 28 PRO C . 18485 1 343 . 1 1 28 28 PRO CA C 13 63.106 0.30 . 1 . . . A 28 PRO CA . 18485 1 344 . 1 1 28 28 PRO CB C 13 32.065 0.30 . 1 . . . A 28 PRO CB . 18485 1 345 . 1 1 28 28 PRO CG C 13 27.745 0.30 . 1 . . . A 28 PRO CG . 18485 1 346 . 1 1 28 28 PRO CD C 13 49.826 0.30 . 1 . . . A 28 PRO CD . 18485 1 347 . 1 1 29 29 MET H H 1 8.828 0.02 . 1 . . . A 29 MET H . 18485 1 348 . 1 1 29 29 MET HA H 1 4.758 0.02 . 1 . . . A 29 MET HA . 18485 1 349 . 1 1 29 29 MET HB2 H 1 2.339 0.02 . 2 . . . A 29 MET HB2 . 18485 1 350 . 1 1 29 29 MET HB3 H 1 1.366 0.02 . 2 . . . A 29 MET HB3 . 18485 1 351 . 1 1 29 29 MET HG2 H 1 2.537 0.02 . 2 . . . A 29 MET HG2 . 18485 1 352 . 1 1 29 29 MET HG3 H 1 2.793 0.02 . 2 . . . A 29 MET HG3 . 18485 1 353 . 1 1 29 29 MET HE1 H 1 2.101 0.02 . 1 . . . A 29 MET HE1 . 18485 1 354 . 1 1 29 29 MET HE2 H 1 2.101 0.02 . 1 . . . A 29 MET HE2 . 18485 1 355 . 1 1 29 29 MET HE3 H 1 2.101 0.02 . 1 . . . A 29 MET HE3 . 18485 1 356 . 1 1 29 29 MET C C 13 175.374 0.30 . 1 . . . A 29 MET C . 18485 1 357 . 1 1 29 29 MET CA C 13 54.594 0.30 . 1 . . . A 29 MET CA . 18485 1 358 . 1 1 29 29 MET CB C 13 33.036 0.30 . 1 . . . A 29 MET CB . 18485 1 359 . 1 1 29 29 MET CG C 13 32.611 0.30 . 1 . . . A 29 MET CG . 18485 1 360 . 1 1 29 29 MET CE C 13 16.938 0.30 . 1 . . . A 29 MET CE . 18485 1 361 . 1 1 29 29 MET N N 15 119.426 0.30 . 1 . . . A 29 MET N . 18485 1 362 . 1 1 30 30 CYS H H 1 7.455 0.02 . 1 . . . A 30 CYS H . 18485 1 363 . 1 1 30 30 CYS HA H 1 4.852 0.02 . 1 . . . A 30 CYS HA . 18485 1 364 . 1 1 30 30 CYS HB2 H 1 2.951 0.02 . 2 . . . A 30 CYS HB2 . 18485 1 365 . 1 1 30 30 CYS HB3 H 1 3.503 0.02 . 2 . . . A 30 CYS HB3 . 18485 1 366 . 1 1 30 30 CYS C C 13 176.028 0.30 . 1 . . . A 30 CYS C . 18485 1 367 . 1 1 30 30 CYS CA C 13 58.725 0.30 . 1 . . . A 30 CYS CA . 18485 1 368 . 1 1 30 30 CYS CB C 13 33.259 0.30 . 1 . . . A 30 CYS CB . 18485 1 369 . 1 1 30 30 CYS N N 15 116.089 0.30 . 1 . . . A 30 CYS N . 18485 1 370 . 1 1 31 31 ALA HA H 1 4.080 0.02 . 1 . . . A 31 ALA HA . 18485 1 371 . 1 1 31 31 ALA HB1 H 1 1.248 0.02 . 1 . . . A 31 ALA HB1 . 18485 1 372 . 1 1 31 31 ALA HB2 H 1 1.248 0.02 . 1 . . . A 31 ALA HB2 . 18485 1 373 . 1 1 31 31 ALA HB3 H 1 1.248 0.02 . 1 . . . A 31 ALA HB3 . 18485 1 374 . 1 1 31 31 ALA C C 13 180.222 0.30 . 1 . . . A 31 ALA C . 18485 1 375 . 1 1 31 31 ALA CA C 13 54.694 0.30 . 1 . . . A 31 ALA CA . 18485 1 376 . 1 1 31 31 ALA CB C 13 18.681 0.30 . 1 . . . A 31 ALA CB . 18485 1 377 . 1 1 32 32 TYR H H 1 8.846 0.02 . 1 . . . A 32 TYR H . 18485 1 378 . 1 1 32 32 TYR HA H 1 4.333 0.02 . 1 . . . A 32 TYR HA . 18485 1 379 . 1 1 32 32 TYR HB2 H 1 3.119 0.02 . 2 . . . A 32 TYR HB2 . 18485 1 380 . 1 1 32 32 TYR HB3 H 1 3.483 0.02 . 2 . . . A 32 TYR HB3 . 18485 1 381 . 1 1 32 32 TYR HD1 H 1 7.311 0.02 . 3 . . . A 32 TYR HD1 . 18485 1 382 . 1 1 32 32 TYR HD2 H 1 7.311 0.02 . 3 . . . A 32 TYR HD2 . 18485 1 383 . 1 1 32 32 TYR HE1 H 1 6.969 0.02 . 3 . . . A 32 TYR HE1 . 18485 1 384 . 1 1 32 32 TYR HE2 H 1 6.969 0.02 . 3 . . . A 32 TYR HE2 . 18485 1 385 . 1 1 32 32 TYR C C 13 178.673 0.30 . 1 . . . A 32 TYR C . 18485 1 386 . 1 1 32 32 TYR CA C 13 59.929 0.30 . 1 . . . A 32 TYR CA . 18485 1 387 . 1 1 32 32 TYR CB C 13 37.037 0.30 . 1 . . . A 32 TYR CB . 18485 1 388 . 1 1 32 32 TYR CD1 C 13 132.530 0.30 . 3 . . . A 32 TYR CD1 . 18485 1 389 . 1 1 32 32 TYR CE1 C 13 118.511 0.30 . 3 . . . A 32 TYR CE1 . 18485 1 390 . 1 1 32 32 TYR N N 15 121.972 0.30 . 1 . . . A 32 TYR N . 18485 1 391 . 1 1 33 33 SER H H 1 10.272 0.02 . 1 . . . A 33 SER H . 18485 1 392 . 1 1 33 33 SER HA H 1 4.013 0.02 . 1 . . . A 33 SER HA . 18485 1 393 . 1 1 33 33 SER HB2 H 1 3.841 0.02 . 2 . . . A 33 SER HB2 . 18485 1 394 . 1 1 33 33 SER HB3 H 1 4.529 0.02 . 2 . . . A 33 SER HB3 . 18485 1 395 . 1 1 33 33 SER C C 13 174.906 0.30 . 1 . . . A 33 SER C . 18485 1 396 . 1 1 33 33 SER CA C 13 64.417 0.30 . 1 . . . A 33 SER CA . 18485 1 397 . 1 1 33 33 SER CB C 13 62.687 0.30 . 1 . . . A 33 SER CB . 18485 1 398 . 1 1 33 33 SER N N 15 125.375 0.30 . 1 . . . A 33 SER N . 18485 1 399 . 1 1 34 34 LYS H H 1 8.024 0.02 . 1 . . . A 34 LYS H . 18485 1 400 . 1 1 34 34 LYS HA H 1 3.853 0.02 . 1 . . . A 34 LYS HA . 18485 1 401 . 1 1 34 34 LYS HB2 H 1 1.794 0.02 . 2 . . . A 34 LYS HB2 . 18485 1 402 . 1 1 34 34 LYS HB3 H 1 2.010 0.02 . 2 . . . A 34 LYS HB3 . 18485 1 403 . 1 1 34 34 LYS HG2 H 1 1.462 0.02 . 2 . . . A 34 LYS HG2 . 18485 1 404 . 1 1 34 34 LYS HG3 H 1 1.462 0.02 . 2 . . . A 34 LYS HG3 . 18485 1 405 . 1 1 34 34 LYS HD2 H 1 1.580 0.02 . 2 . . . A 34 LYS HD2 . 18485 1 406 . 1 1 34 34 LYS HD3 H 1 1.729 0.02 . 2 . . . A 34 LYS HD3 . 18485 1 407 . 1 1 34 34 LYS HE2 H 1 3.005 0.02 . 2 . . . A 34 LYS HE2 . 18485 1 408 . 1 1 34 34 LYS HE3 H 1 3.005 0.02 . 2 . . . A 34 LYS HE3 . 18485 1 409 . 1 1 34 34 LYS C C 13 177.083 0.30 . 1 . . . A 34 LYS C . 18485 1 410 . 1 1 34 34 LYS CA C 13 59.663 0.30 . 1 . . . A 34 LYS CA . 18485 1 411 . 1 1 34 34 LYS CB C 13 32.150 0.30 . 1 . . . A 34 LYS CB . 18485 1 412 . 1 1 34 34 LYS CG C 13 24.902 0.30 . 1 . . . A 34 LYS CG . 18485 1 413 . 1 1 34 34 LYS CD C 13 28.768 0.30 . 1 . . . A 34 LYS CD . 18485 1 414 . 1 1 34 34 LYS CE C 13 42.174 0.30 . 1 . . . A 34 LYS CE . 18485 1 415 . 1 1 34 34 LYS N N 15 121.216 0.30 . 1 . . . A 34 LYS N . 18485 1 416 . 1 1 35 35 ARG H H 1 7.559 0.02 . 1 . . . A 35 ARG H . 18485 1 417 . 1 1 35 35 ARG HA H 1 4.149 0.02 . 1 . . . A 35 ARG HA . 18485 1 418 . 1 1 35 35 ARG HB2 H 1 2.085 0.02 . 2 . . . A 35 ARG HB2 . 18485 1 419 . 1 1 35 35 ARG HB3 H 1 1.996 0.02 . 2 . . . A 35 ARG HB3 . 18485 1 420 . 1 1 35 35 ARG HG2 H 1 1.833 0.02 . 2 . . . A 35 ARG HG2 . 18485 1 421 . 1 1 35 35 ARG HG3 H 1 1.833 0.02 . 2 . . . A 35 ARG HG3 . 18485 1 422 . 1 1 35 35 ARG HD2 H 1 3.172 0.02 . 2 . . . A 35 ARG HD2 . 18485 1 423 . 1 1 35 35 ARG HD3 H 1 3.314 0.02 . 2 . . . A 35 ARG HD3 . 18485 1 424 . 1 1 35 35 ARG C C 13 178.058 0.30 . 1 . . . A 35 ARG C . 18485 1 425 . 1 1 35 35 ARG CA C 13 58.976 0.30 . 1 . . . A 35 ARG CA . 18485 1 426 . 1 1 35 35 ARG CB C 13 29.712 0.30 . 1 . . . A 35 ARG CB . 18485 1 427 . 1 1 35 35 ARG CG C 13 27.618 0.30 . 1 . . . A 35 ARG CG . 18485 1 428 . 1 1 35 35 ARG CD C 13 43.603 0.30 . 1 . . . A 35 ARG CD . 18485 1 429 . 1 1 35 35 ARG N N 15 117.269 0.30 . 1 . . . A 35 ARG N . 18485 1 430 . 1 1 36 36 MET H H 1 8.027 0.02 . 1 . . . A 36 MET H . 18485 1 431 . 1 1 36 36 MET HA H 1 4.068 0.02 . 1 . . . A 36 MET HA . 18485 1 432 . 1 1 36 36 MET HB2 H 1 2.301 0.02 . 2 . . . A 36 MET HB2 . 18485 1 433 . 1 1 36 36 MET HB3 H 1 2.236 0.02 . 2 . . . A 36 MET HB3 . 18485 1 434 . 1 1 36 36 MET HG2 H 1 2.548 0.02 . 2 . . . A 36 MET HG2 . 18485 1 435 . 1 1 36 36 MET HG3 H 1 2.548 0.02 . 2 . . . A 36 MET HG3 . 18485 1 436 . 1 1 36 36 MET HE1 H 1 1.730 0.02 . 1 . . . A 36 MET HE1 . 18485 1 437 . 1 1 36 36 MET HE2 H 1 1.730 0.02 . 1 . . . A 36 MET HE2 . 18485 1 438 . 1 1 36 36 MET HE3 H 1 1.730 0.02 . 1 . . . A 36 MET HE3 . 18485 1 439 . 1 1 36 36 MET C C 13 176.963 0.30 . 1 . . . A 36 MET C . 18485 1 440 . 1 1 36 36 MET CA C 13 58.195 0.30 . 1 . . . A 36 MET CA . 18485 1 441 . 1 1 36 36 MET CB C 13 31.742 0.30 . 1 . . . A 36 MET CB . 18485 1 442 . 1 1 36 36 MET CG C 13 32.041 0.30 . 1 . . . A 36 MET CG . 18485 1 443 . 1 1 36 36 MET CE C 13 17.007 0.30 . 1 . . . A 36 MET CE . 18485 1 444 . 1 1 36 36 MET N N 15 117.954 0.30 . 1 . . . A 36 MET N . 18485 1 445 . 1 1 37 37 ILE H H 1 7.825 0.02 . 1 . . . A 37 ILE H . 18485 1 446 . 1 1 37 37 ILE HA H 1 3.520 0.02 . 1 . . . A 37 ILE HA . 18485 1 447 . 1 1 37 37 ILE HB H 1 2.300 0.02 . 1 . . . A 37 ILE HB . 18485 1 448 . 1 1 37 37 ILE HG12 H 1 1.948 0.02 . 2 . . . A 37 ILE HG12 . 18485 1 449 . 1 1 37 37 ILE HG13 H 1 1.263 0.02 . 2 . . . A 37 ILE HG13 . 18485 1 450 . 1 1 37 37 ILE HG21 H 1 1.080 0.02 . 1 . . . A 37 ILE HG21 . 18485 1 451 . 1 1 37 37 ILE HG22 H 1 1.080 0.02 . 1 . . . A 37 ILE HG22 . 18485 1 452 . 1 1 37 37 ILE HG23 H 1 1.080 0.02 . 1 . . . A 37 ILE HG23 . 18485 1 453 . 1 1 37 37 ILE HD11 H 1 0.698 0.02 . 1 . . . A 37 ILE HD11 . 18485 1 454 . 1 1 37 37 ILE HD12 H 1 0.698 0.02 . 1 . . . A 37 ILE HD12 . 18485 1 455 . 1 1 37 37 ILE HD13 H 1 0.698 0.02 . 1 . . . A 37 ILE HD13 . 18485 1 456 . 1 1 37 37 ILE C C 13 177.631 0.30 . 1 . . . A 37 ILE C . 18485 1 457 . 1 1 37 37 ILE CA C 13 61.873 0.30 . 1 . . . A 37 ILE CA . 18485 1 458 . 1 1 37 37 ILE CB C 13 35.172 0.30 . 1 . . . A 37 ILE CB . 18485 1 459 . 1 1 37 37 ILE CG1 C 13 26.797 0.30 . 1 . . . A 37 ILE CG1 . 18485 1 460 . 1 1 37 37 ILE CG2 C 13 17.469 0.30 . 1 . . . A 37 ILE CG2 . 18485 1 461 . 1 1 37 37 ILE CD1 C 13 8.632 0.30 . 1 . . . A 37 ILE CD1 . 18485 1 462 . 1 1 37 37 ILE N N 15 118.650 0.30 . 1 . . . A 37 ILE N . 18485 1 463 . 1 1 38 38 ASP H H 1 8.629 0.02 . 1 . . . A 38 ASP H . 18485 1 464 . 1 1 38 38 ASP HA H 1 4.330 0.02 . 1 . . . A 38 ASP HA . 18485 1 465 . 1 1 38 38 ASP HB2 H 1 2.595 0.02 . 2 . . . A 38 ASP HB2 . 18485 1 466 . 1 1 38 38 ASP HB3 H 1 2.920 0.02 . 2 . . . A 38 ASP HB3 . 18485 1 467 . 1 1 38 38 ASP C C 13 180.208 0.30 . 1 . . . A 38 ASP C . 18485 1 468 . 1 1 38 38 ASP CA C 13 57.530 0.30 . 1 . . . A 38 ASP CA . 18485 1 469 . 1 1 38 38 ASP CB C 13 39.970 0.30 . 1 . . . A 38 ASP CB . 18485 1 470 . 1 1 38 38 ASP N N 15 119.229 0.30 . 1 . . . A 38 ASP N . 18485 1 471 . 1 1 39 39 VAL H H 1 7.879 0.02 . 1 . . . A 39 VAL H . 18485 1 472 . 1 1 39 39 VAL HA H 1 3.575 0.02 . 1 . . . A 39 VAL HA . 18485 1 473 . 1 1 39 39 VAL HB H 1 2.305 0.02 . 1 . . . A 39 VAL HB . 18485 1 474 . 1 1 39 39 VAL HG11 H 1 0.981 0.02 . 2 . . . A 39 VAL HG11 . 18485 1 475 . 1 1 39 39 VAL HG12 H 1 0.981 0.02 . 2 . . . A 39 VAL HG12 . 18485 1 476 . 1 1 39 39 VAL HG13 H 1 0.981 0.02 . 2 . . . A 39 VAL HG13 . 18485 1 477 . 1 1 39 39 VAL HG21 H 1 0.707 0.02 . 2 . . . A 39 VAL HG21 . 18485 1 478 . 1 1 39 39 VAL HG22 H 1 0.707 0.02 . 2 . . . A 39 VAL HG22 . 18485 1 479 . 1 1 39 39 VAL HG23 H 1 0.707 0.02 . 2 . . . A 39 VAL HG23 . 18485 1 480 . 1 1 39 39 VAL C C 13 177.056 0.30 . 1 . . . A 39 VAL C . 18485 1 481 . 1 1 39 39 VAL CA C 13 66.810 0.30 . 1 . . . A 39 VAL CA . 18485 1 482 . 1 1 39 39 VAL CB C 13 31.495 0.30 . 1 . . . A 39 VAL CB . 18485 1 483 . 1 1 39 39 VAL CG1 C 13 22.354 0.30 . 2 . . . A 39 VAL CG1 . 18485 1 484 . 1 1 39 39 VAL CG2 C 13 21.056 0.30 . 2 . . . A 39 VAL CG2 . 18485 1 485 . 1 1 39 39 VAL N N 15 121.475 0.30 . 1 . . . A 39 VAL N . 18485 1 486 . 1 1 40 40 LEU H H 1 7.574 0.02 . 1 . . . A 40 LEU H . 18485 1 487 . 1 1 40 40 LEU HA H 1 3.774 0.02 . 1 . . . A 40 LEU HA . 18485 1 488 . 1 1 40 40 LEU HB2 H 1 1.523 0.02 . 2 . . . A 40 LEU HB2 . 18485 1 489 . 1 1 40 40 LEU HB3 H 1 0.962 0.02 . 2 . . . A 40 LEU HB3 . 18485 1 490 . 1 1 40 40 LEU HG H 1 1.820 0.02 . 1 . . . A 40 LEU HG . 18485 1 491 . 1 1 40 40 LEU HD11 H 1 0.069 0.02 . 2 . . . A 40 LEU HD11 . 18485 1 492 . 1 1 40 40 LEU HD12 H 1 0.069 0.02 . 2 . . . A 40 LEU HD12 . 18485 1 493 . 1 1 40 40 LEU HD13 H 1 0.069 0.02 . 2 . . . A 40 LEU HD13 . 18485 1 494 . 1 1 40 40 LEU HD21 H 1 0.504 0.02 . 2 . . . A 40 LEU HD21 . 18485 1 495 . 1 1 40 40 LEU HD22 H 1 0.504 0.02 . 2 . . . A 40 LEU HD22 . 18485 1 496 . 1 1 40 40 LEU HD23 H 1 0.504 0.02 . 2 . . . A 40 LEU HD23 . 18485 1 497 . 1 1 40 40 LEU C C 13 179.794 0.30 . 1 . . . A 40 LEU C . 18485 1 498 . 1 1 40 40 LEU CA C 13 58.164 0.30 . 1 . . . A 40 LEU CA . 18485 1 499 . 1 1 40 40 LEU CB C 13 40.597 0.30 . 1 . . . A 40 LEU CB . 18485 1 500 . 1 1 40 40 LEU CG C 13 25.742 0.30 . 1 . . . A 40 LEU CG . 18485 1 501 . 1 1 40 40 LEU CD1 C 13 24.210 0.30 . 2 . . . A 40 LEU CD1 . 18485 1 502 . 1 1 40 40 LEU CD2 C 13 21.736 0.30 . 2 . . . A 40 LEU CD2 . 18485 1 503 . 1 1 40 40 LEU N N 15 118.145 0.30 . 1 . . . A 40 LEU N . 18485 1 504 . 1 1 41 41 GLU H H 1 8.871 0.02 . 1 . . . A 41 GLU H . 18485 1 505 . 1 1 41 41 GLU HA H 1 4.297 0.02 . 1 . . . A 41 GLU HA . 18485 1 506 . 1 1 41 41 GLU HB2 H 1 2.053 0.02 . 2 . . . A 41 GLU HB2 . 18485 1 507 . 1 1 41 41 GLU HB3 H 1 2.141 0.02 . 2 . . . A 41 GLU HB3 . 18485 1 508 . 1 1 41 41 GLU HG2 H 1 2.568 0.02 . 2 . . . A 41 GLU HG2 . 18485 1 509 . 1 1 41 41 GLU HG3 H 1 2.568 0.02 . 2 . . . A 41 GLU HG3 . 18485 1 510 . 1 1 41 41 GLU C C 13 181.117 0.30 . 1 . . . A 41 GLU C . 18485 1 511 . 1 1 41 41 GLU CA C 13 58.552 0.30 . 1 . . . A 41 GLU CA . 18485 1 512 . 1 1 41 41 GLU CB C 13 29.121 0.30 . 1 . . . A 41 GLU CB . 18485 1 513 . 1 1 41 41 GLU CG C 13 36.854 0.30 . 1 . . . A 41 GLU CG . 18485 1 514 . 1 1 41 41 GLU N N 15 116.305 0.30 . 1 . . . A 41 GLU N . 18485 1 515 . 1 1 42 42 ALA H H 1 8.285 0.02 . 1 . . . A 42 ALA H . 18485 1 516 . 1 1 42 42 ALA HA H 1 4.165 0.02 . 1 . . . A 42 ALA HA . 18485 1 517 . 1 1 42 42 ALA HB1 H 1 1.554 0.02 . 1 . . . A 42 ALA HB1 . 18485 1 518 . 1 1 42 42 ALA HB2 H 1 1.554 0.02 . 1 . . . A 42 ALA HB2 . 18485 1 519 . 1 1 42 42 ALA HB3 H 1 1.554 0.02 . 1 . . . A 42 ALA HB3 . 18485 1 520 . 1 1 42 42 ALA C C 13 180.275 0.30 . 1 . . . A 42 ALA C . 18485 1 521 . 1 1 42 42 ALA CA C 13 54.980 0.30 . 1 . . . A 42 ALA CA . 18485 1 522 . 1 1 42 42 ALA CB C 13 17.659 0.30 . 1 . . . A 42 ALA CB . 18485 1 523 . 1 1 42 42 ALA N N 15 124.797 0.30 . 1 . . . A 42 ALA N . 18485 1 524 . 1 1 43 43 LEU H H 1 7.528 0.02 . 1 . . . A 43 LEU H . 18485 1 525 . 1 1 43 43 LEU HA H 1 4.249 0.02 . 1 . . . A 43 LEU HA . 18485 1 526 . 1 1 43 43 LEU HB2 H 1 1.871 0.02 . 2 . . . A 43 LEU HB2 . 18485 1 527 . 1 1 43 43 LEU HB3 H 1 1.547 0.02 . 2 . . . A 43 LEU HB3 . 18485 1 528 . 1 1 43 43 LEU HG H 1 1.811 0.02 . 1 . . . A 43 LEU HG . 18485 1 529 . 1 1 43 43 LEU HD11 H 1 0.838 0.02 . 2 . . . A 43 LEU HD11 . 18485 1 530 . 1 1 43 43 LEU HD12 H 1 0.838 0.02 . 2 . . . A 43 LEU HD12 . 18485 1 531 . 1 1 43 43 LEU HD13 H 1 0.838 0.02 . 2 . . . A 43 LEU HD13 . 18485 1 532 . 1 1 43 43 LEU HD21 H 1 0.732 0.02 . 2 . . . A 43 LEU HD21 . 18485 1 533 . 1 1 43 43 LEU HD22 H 1 0.732 0.02 . 2 . . . A 43 LEU HD22 . 18485 1 534 . 1 1 43 43 LEU HD23 H 1 0.732 0.02 . 2 . . . A 43 LEU HD23 . 18485 1 535 . 1 1 43 43 LEU C C 13 177.177 0.30 . 1 . . . A 43 LEU C . 18485 1 536 . 1 1 43 43 LEU CA C 13 55.406 0.30 . 1 . . . A 43 LEU CA . 18485 1 537 . 1 1 43 43 LEU CB C 13 43.483 0.30 . 1 . . . A 43 LEU CB . 18485 1 538 . 1 1 43 43 LEU CG C 13 27.016 0.30 . 1 . . . A 43 LEU CG . 18485 1 539 . 1 1 43 43 LEU CD1 C 13 23.012 0.30 . 2 . . . A 43 LEU CD1 . 18485 1 540 . 1 1 43 43 LEU CD2 C 13 26.355 0.30 . 2 . . . A 43 LEU CD2 . 18485 1 541 . 1 1 43 43 LEU N N 15 115.767 0.30 . 1 . . . A 43 LEU N . 18485 1 542 . 1 1 44 44 GLY H H 1 7.927 0.02 . 1 . . . A 44 GLY H . 18485 1 543 . 1 1 44 44 GLY HA2 H 1 3.965 0.02 . 2 . . . A 44 GLY HA2 . 18485 1 544 . 1 1 44 44 GLY HA3 H 1 3.878 0.02 . 2 . . . A 44 GLY HA3 . 18485 1 545 . 1 1 44 44 GLY C C 13 175.011 0.30 . 1 . . . A 44 GLY C . 18485 1 546 . 1 1 44 44 GLY CA C 13 46.341 0.30 . 1 . . . A 44 GLY CA . 18485 1 547 . 1 1 44 44 GLY N N 15 108.593 0.30 . 1 . . . A 44 GLY N . 18485 1 548 . 1 1 45 45 LEU H H 1 7.482 0.02 . 1 . . . A 45 LEU H . 18485 1 549 . 1 1 45 45 LEU HA H 1 4.452 0.02 . 1 . . . A 45 LEU HA . 18485 1 550 . 1 1 45 45 LEU HB2 H 1 1.687 0.02 . 2 . . . A 45 LEU HB2 . 18485 1 551 . 1 1 45 45 LEU HB3 H 1 1.463 0.02 . 2 . . . A 45 LEU HB3 . 18485 1 552 . 1 1 45 45 LEU HG H 1 1.730 0.02 . 1 . . . A 45 LEU HG . 18485 1 553 . 1 1 45 45 LEU HD11 H 1 0.950 0.02 . 2 . . . A 45 LEU HD11 . 18485 1 554 . 1 1 45 45 LEU HD12 H 1 0.950 0.02 . 2 . . . A 45 LEU HD12 . 18485 1 555 . 1 1 45 45 LEU HD13 H 1 0.950 0.02 . 2 . . . A 45 LEU HD13 . 18485 1 556 . 1 1 45 45 LEU HD21 H 1 0.909 0.02 . 2 . . . A 45 LEU HD21 . 18485 1 557 . 1 1 45 45 LEU HD22 H 1 0.909 0.02 . 2 . . . A 45 LEU HD22 . 18485 1 558 . 1 1 45 45 LEU HD23 H 1 0.909 0.02 . 2 . . . A 45 LEU HD23 . 18485 1 559 . 1 1 45 45 LEU C C 13 176.976 0.30 . 1 . . . A 45 LEU C . 18485 1 560 . 1 1 45 45 LEU CA C 13 54.400 0.30 . 1 . . . A 45 LEU CA . 18485 1 561 . 1 1 45 45 LEU CB C 13 42.716 0.30 . 1 . . . A 45 LEU CB . 18485 1 562 . 1 1 45 45 LEU CG C 13 26.554 0.30 . 1 . . . A 45 LEU CG . 18485 1 563 . 1 1 45 45 LEU CD1 C 13 23.901 0.30 . 2 . . . A 45 LEU CD1 . 18485 1 564 . 1 1 45 45 LEU CD2 C 13 26.189 0.30 . 2 . . . A 45 LEU CD2 . 18485 1 565 . 1 1 45 45 LEU N N 15 117.269 0.30 . 1 . . . A 45 LEU N . 18485 1 566 . 1 1 46 46 GLU H H 1 8.250 0.02 . 1 . . . A 46 GLU H . 18485 1 567 . 1 1 46 46 GLU HA H 1 4.463 0.02 . 1 . . . A 46 GLU HA . 18485 1 568 . 1 1 46 46 GLU HB2 H 1 1.942 0.02 . 2 . . . A 46 GLU HB2 . 18485 1 569 . 1 1 46 46 GLU HB3 H 1 1.989 0.02 . 2 . . . A 46 GLU HB3 . 18485 1 570 . 1 1 46 46 GLU HG2 H 1 2.292 0.02 . 2 . . . A 46 GLU HG2 . 18485 1 571 . 1 1 46 46 GLU HG3 H 1 2.182 0.02 . 2 . . . A 46 GLU HG3 . 18485 1 572 . 1 1 46 46 GLU C C 13 176.135 0.30 . 1 . . . A 46 GLU C . 18485 1 573 . 1 1 46 46 GLU CA C 13 55.524 0.30 . 1 . . . A 46 GLU CA . 18485 1 574 . 1 1 46 46 GLU CB C 13 30.233 0.30 . 1 . . . A 46 GLU CB . 18485 1 575 . 1 1 46 46 GLU CG C 13 36.297 0.30 . 1 . . . A 46 GLU CG . 18485 1 576 . 1 1 46 46 GLU N N 15 121.177 0.30 . 1 . . . A 46 GLU N . 18485 1 577 . 1 1 47 47 TYR H H 1 7.874 0.02 . 1 . . . A 47 TYR H . 18485 1 578 . 1 1 47 47 TYR HA H 1 5.298 0.02 . 1 . . . A 47 TYR HA . 18485 1 579 . 1 1 47 47 TYR HB2 H 1 2.524 0.02 . 2 . . . A 47 TYR HB2 . 18485 1 580 . 1 1 47 47 TYR HB3 H 1 2.585 0.02 . 2 . . . A 47 TYR HB3 . 18485 1 581 . 1 1 47 47 TYR HD1 H 1 6.531 0.02 . 3 . . . A 47 TYR HD1 . 18485 1 582 . 1 1 47 47 TYR HD2 H 1 6.531 0.02 . 3 . . . A 47 TYR HD2 . 18485 1 583 . 1 1 47 47 TYR HE1 H 1 6.532 0.02 . 3 . . . A 47 TYR HE1 . 18485 1 584 . 1 1 47 47 TYR HE2 H 1 6.532 0.02 . 3 . . . A 47 TYR HE2 . 18485 1 585 . 1 1 47 47 TYR C C 13 173.798 0.30 . 1 . . . A 47 TYR C . 18485 1 586 . 1 1 47 47 TYR CA C 13 55.824 0.30 . 1 . . . A 47 TYR CA . 18485 1 587 . 1 1 47 47 TYR CB C 13 41.071 0.30 . 1 . . . A 47 TYR CB . 18485 1 588 . 1 1 47 47 TYR CD1 C 13 133.536 0.30 . 3 . . . A 47 TYR CD1 . 18485 1 589 . 1 1 47 47 TYR CE1 C 13 117.524 0.30 . 3 . . . A 47 TYR CE1 . 18485 1 590 . 1 1 47 47 TYR N N 15 119.617 0.30 . 1 . . . A 47 TYR N . 18485 1 591 . 1 1 48 48 THR H H 1 8.549 0.02 . 1 . . . A 48 THR H . 18485 1 592 . 1 1 48 48 THR HA H 1 4.266 0.02 . 1 . . . A 48 THR HA . 18485 1 593 . 1 1 48 48 THR HB H 1 3.665 0.02 . 1 . . . A 48 THR HB . 18485 1 594 . 1 1 48 48 THR HG21 H 1 0.694 0.02 . 1 . . . A 48 THR HG21 . 18485 1 595 . 1 1 48 48 THR HG22 H 1 0.694 0.02 . 1 . . . A 48 THR HG22 . 18485 1 596 . 1 1 48 48 THR HG23 H 1 0.694 0.02 . 1 . . . A 48 THR HG23 . 18485 1 597 . 1 1 48 48 THR C C 13 171.941 0.30 . 1 . . . A 48 THR C . 18485 1 598 . 1 1 48 48 THR CA C 13 62.299 0.30 . 1 . . . A 48 THR CA . 18485 1 599 . 1 1 48 48 THR CB C 13 70.899 0.30 . 1 . . . A 48 THR CB . 18485 1 600 . 1 1 48 48 THR CG2 C 13 20.986 0.30 . 1 . . . A 48 THR CG2 . 18485 1 601 . 1 1 48 48 THR N N 15 117.577 0.30 . 1 . . . A 48 THR N . 18485 1 602 . 1 1 49 49 SER H H 1 8.536 0.02 . 1 . . . A 49 SER H . 18485 1 603 . 1 1 49 49 SER HA H 1 5.516 0.02 . 1 . . . A 49 SER HA . 18485 1 604 . 1 1 49 49 SER HB2 H 1 3.538 0.02 . 2 . . . A 49 SER HB2 . 18485 1 605 . 1 1 49 49 SER HB3 H 1 3.429 0.02 . 2 . . . A 49 SER HB3 . 18485 1 606 . 1 1 49 49 SER C C 13 173.691 0.30 . 1 . . . A 49 SER C . 18485 1 607 . 1 1 49 49 SER CA C 13 55.758 0.30 . 1 . . . A 49 SER CA . 18485 1 608 . 1 1 49 49 SER CB C 13 66.386 0.30 . 1 . . . A 49 SER CB . 18485 1 609 . 1 1 49 49 SER N N 15 121.488 0.30 . 1 . . . A 49 SER N . 18485 1 610 . 1 1 50 50 PHE H H 1 8.627 0.02 . 1 . . . A 50 PHE H . 18485 1 611 . 1 1 50 50 PHE HA H 1 4.715 0.02 . 1 . . . A 50 PHE HA . 18485 1 612 . 1 1 50 50 PHE HB2 H 1 2.403 0.02 . 2 . . . A 50 PHE HB2 . 18485 1 613 . 1 1 50 50 PHE HB3 H 1 2.840 0.02 . 2 . . . A 50 PHE HB3 . 18485 1 614 . 1 1 50 50 PHE HD1 H 1 6.611 0.02 . 3 . . . A 50 PHE HD1 . 18485 1 615 . 1 1 50 50 PHE HD2 H 1 6.611 0.02 . 3 . . . A 50 PHE HD2 . 18485 1 616 . 1 1 50 50 PHE HE1 H 1 6.958 0.02 . 3 . . . A 50 PHE HE1 . 18485 1 617 . 1 1 50 50 PHE HE2 H 1 6.958 0.02 . 3 . . . A 50 PHE HE2 . 18485 1 618 . 1 1 50 50 PHE HZ H 1 7.072 0.02 . 1 . . . A 50 PHE HZ . 18485 1 619 . 1 1 50 50 PHE C C 13 173.608 0.30 . 1 . . . A 50 PHE C . 18485 1 620 . 1 1 50 50 PHE CA C 13 57.339 0.30 . 1 . . . A 50 PHE CA . 18485 1 621 . 1 1 50 50 PHE CB C 13 43.529 0.30 . 1 . . . A 50 PHE CB . 18485 1 622 . 1 1 50 50 PHE CD1 C 13 131.825 0.30 . 3 . . . A 50 PHE CD1 . 18485 1 623 . 1 1 50 50 PHE CE1 C 13 130.632 0.30 . 3 . . . A 50 PHE CE1 . 18485 1 624 . 1 1 50 50 PHE CZ C 13 128.609 0.30 . 1 . . . A 50 PHE CZ . 18485 1 625 . 1 1 50 50 PHE N N 15 124.791 0.30 . 1 . . . A 50 PHE N . 18485 1 626 . 1 1 51 51 ASP H H 1 8.415 0.02 . 1 . . . A 51 ASP H . 18485 1 627 . 1 1 51 51 ASP HA H 1 5.370 0.02 . 1 . . . A 51 ASP HA . 18485 1 628 . 1 1 51 51 ASP HB2 H 1 2.942 0.02 . 2 . . . A 51 ASP HB2 . 18485 1 629 . 1 1 51 51 ASP HB3 H 1 2.693 0.02 . 2 . . . A 51 ASP HB3 . 18485 1 630 . 1 1 51 51 ASP C C 13 178.779 0.30 . 1 . . . A 51 ASP C . 18485 1 631 . 1 1 51 51 ASP CA C 13 52.234 0.30 . 1 . . . A 51 ASP CA . 18485 1 632 . 1 1 51 51 ASP CB C 13 42.175 0.30 . 1 . . . A 51 ASP CB . 18485 1 633 . 1 1 51 51 ASP N N 15 120.606 0.30 . 1 . . . A 51 ASP N . 18485 1 634 . 1 1 52 52 VAL H H 1 9.307 0.02 . 1 . . . A 52 VAL H . 18485 1 635 . 1 1 52 52 VAL HA H 1 4.106 0.02 . 1 . . . A 52 VAL HA . 18485 1 636 . 1 1 52 52 VAL HB H 1 2.266 0.02 . 1 . . . A 52 VAL HB . 18485 1 637 . 1 1 52 52 VAL HG11 H 1 1.194 0.02 . 2 . . . A 52 VAL HG11 . 18485 1 638 . 1 1 52 52 VAL HG12 H 1 1.194 0.02 . 2 . . . A 52 VAL HG12 . 18485 1 639 . 1 1 52 52 VAL HG13 H 1 1.194 0.02 . 2 . . . A 52 VAL HG13 . 18485 1 640 . 1 1 52 52 VAL HG21 H 1 1.058 0.02 . 2 . . . A 52 VAL HG21 . 18485 1 641 . 1 1 52 52 VAL HG22 H 1 1.058 0.02 . 2 . . . A 52 VAL HG22 . 18485 1 642 . 1 1 52 52 VAL HG23 H 1 1.058 0.02 . 2 . . . A 52 VAL HG23 . 18485 1 643 . 1 1 52 52 VAL C C 13 176.682 0.30 . 1 . . . A 52 VAL C . 18485 1 644 . 1 1 52 52 VAL CA C 13 63.327 0.30 . 1 . . . A 52 VAL CA . 18485 1 645 . 1 1 52 52 VAL CB C 13 31.774 0.30 . 1 . . . A 52 VAL CB . 18485 1 646 . 1 1 52 52 VAL CG1 C 13 21.962 0.30 . 2 . . . A 52 VAL CG1 . 18485 1 647 . 1 1 52 52 VAL CG2 C 13 20.793 0.30 . 2 . . . A 52 VAL CG2 . 18485 1 648 . 1 1 52 52 VAL N N 15 119.623 0.30 . 1 . . . A 52 VAL N . 18485 1 649 . 1 1 53 53 LEU H H 1 9.008 0.02 . 1 . . . A 53 LEU H . 18485 1 650 . 1 1 53 53 LEU HA H 1 4.258 0.02 . 1 . . . A 53 LEU HA . 18485 1 651 . 1 1 53 53 LEU HB2 H 1 1.571 0.02 . 2 . . . A 53 LEU HB2 . 18485 1 652 . 1 1 53 53 LEU HB3 H 1 2.272 0.02 . 2 . . . A 53 LEU HB3 . 18485 1 653 . 1 1 53 53 LEU HG H 1 1.652 0.02 . 1 . . . A 53 LEU HG . 18485 1 654 . 1 1 53 53 LEU HD11 H 1 1.025 0.02 . 2 . . . A 53 LEU HD11 . 18485 1 655 . 1 1 53 53 LEU HD12 H 1 1.025 0.02 . 2 . . . A 53 LEU HD12 . 18485 1 656 . 1 1 53 53 LEU HD13 H 1 1.025 0.02 . 2 . . . A 53 LEU HD13 . 18485 1 657 . 1 1 53 53 LEU HD21 H 1 0.919 0.02 . 2 . . . A 53 LEU HD21 . 18485 1 658 . 1 1 53 53 LEU HD22 H 1 0.919 0.02 . 2 . . . A 53 LEU HD22 . 18485 1 659 . 1 1 53 53 LEU HD23 H 1 0.919 0.02 . 2 . . . A 53 LEU HD23 . 18485 1 660 . 1 1 53 53 LEU C C 13 179.153 0.30 . 1 . . . A 53 LEU C . 18485 1 661 . 1 1 53 53 LEU CA C 13 55.763 0.30 . 1 . . . A 53 LEU CA . 18485 1 662 . 1 1 53 53 LEU CB C 13 41.035 0.30 . 1 . . . A 53 LEU CB . 18485 1 663 . 1 1 53 53 LEU CG C 13 27.271 0.30 . 1 . . . A 53 LEU CG . 18485 1 664 . 1 1 53 53 LEU CD1 C 13 25.965 0.30 . 2 . . . A 53 LEU CD1 . 18485 1 665 . 1 1 53 53 LEU CD2 C 13 22.367 0.30 . 2 . . . A 53 LEU CD2 . 18485 1 666 . 1 1 53 53 LEU N N 15 118.392 0.30 . 1 . . . A 53 LEU N . 18485 1 667 . 1 1 54 54 ALA H H 1 7.304 0.02 . 1 . . . A 54 ALA H . 18485 1 668 . 1 1 54 54 ALA HA H 1 4.240 0.02 . 1 . . . A 54 ALA HA . 18485 1 669 . 1 1 54 54 ALA HB1 H 1 1.377 0.02 . 1 . . . A 54 ALA HB1 . 18485 1 670 . 1 1 54 54 ALA HB2 H 1 1.377 0.02 . 1 . . . A 54 ALA HB2 . 18485 1 671 . 1 1 54 54 ALA HB3 H 1 1.377 0.02 . 1 . . . A 54 ALA HB3 . 18485 1 672 . 1 1 54 54 ALA C C 13 177.657 0.30 . 1 . . . A 54 ALA C . 18485 1 673 . 1 1 54 54 ALA CA C 13 53.388 0.30 . 1 . . . A 54 ALA CA . 18485 1 674 . 1 1 54 54 ALA CB C 13 20.119 0.30 . 1 . . . A 54 ALA CB . 18485 1 675 . 1 1 54 54 ALA N N 15 119.577 0.30 . 1 . . . A 54 ALA N . 18485 1 676 . 1 1 55 55 HIS H H 1 6.894 0.02 . 1 . . . A 55 HIS H . 18485 1 677 . 1 1 55 55 HIS HA H 1 5.124 0.02 . 1 . . . A 55 HIS HA . 18485 1 678 . 1 1 55 55 HIS HB2 H 1 3.235 0.02 . 2 . . . A 55 HIS HB2 . 18485 1 679 . 1 1 55 55 HIS HB3 H 1 3.010 0.02 . 2 . . . A 55 HIS HB3 . 18485 1 680 . 1 1 55 55 HIS HD2 H 1 7.388 0.02 . 1 . . . A 55 HIS HD2 . 18485 1 681 . 1 1 55 55 HIS HE1 H 1 7.869 0.02 . 1 . . . A 55 HIS HE1 . 18485 1 682 . 1 1 55 55 HIS C C 13 174.238 0.30 . 1 . . . A 55 HIS C . 18485 1 683 . 1 1 55 55 HIS CA C 13 54.094 0.30 . 1 . . . A 55 HIS CA . 18485 1 684 . 1 1 55 55 HIS CB C 13 33.789 0.30 . 1 . . . A 55 HIS CB . 18485 1 685 . 1 1 55 55 HIS CD2 C 13 119.659 0.30 . 1 . . . A 55 HIS CD2 . 18485 1 686 . 1 1 55 55 HIS CE1 C 13 138.846 0.30 . 1 . . . A 55 HIS CE1 . 18485 1 687 . 1 1 55 55 HIS N N 15 114.383 0.30 . 1 . . . A 55 HIS N . 18485 1 688 . 1 1 56 56 PRO HA H 1 4.326 0.02 . 1 . . . A 56 PRO HA . 18485 1 689 . 1 1 56 56 PRO HB2 H 1 2.424 0.02 . 2 . . . A 56 PRO HB2 . 18485 1 690 . 1 1 56 56 PRO HB3 H 1 2.424 0.02 . 2 . . . A 56 PRO HB3 . 18485 1 691 . 1 1 56 56 PRO HG2 H 1 2.009 0.02 . 2 . . . A 56 PRO HG2 . 18485 1 692 . 1 1 56 56 PRO HG3 H 1 2.110 0.02 . 2 . . . A 56 PRO HG3 . 18485 1 693 . 1 1 56 56 PRO HD2 H 1 3.737 0.02 . 2 . . . A 56 PRO HD2 . 18485 1 694 . 1 1 56 56 PRO HD3 H 1 3.466 0.02 . 2 . . . A 56 PRO HD3 . 18485 1 695 . 1 1 56 56 PRO CA C 13 65.262 0.30 . 1 . . . A 56 PRO CA . 18485 1 696 . 1 1 56 56 PRO CB C 13 32.041 0.30 . 1 . . . A 56 PRO CB . 18485 1 697 . 1 1 56 56 PRO CG C 13 27.439 0.30 . 1 . . . A 56 PRO CG . 18485 1 698 . 1 1 56 56 PRO CD C 13 51.229 0.30 . 1 . . . A 56 PRO CD . 18485 1 699 . 1 1 57 57 VAL H H 1 9.778 0.02 . 1 . . . A 57 VAL H . 18485 1 700 . 1 1 57 57 VAL HA H 1 3.987 0.02 . 1 . . . A 57 VAL HA . 18485 1 701 . 1 1 57 57 VAL HB H 1 2.148 0.02 . 1 . . . A 57 VAL HB . 18485 1 702 . 1 1 57 57 VAL HG11 H 1 0.780 0.02 . 2 . . . A 57 VAL HG11 . 18485 1 703 . 1 1 57 57 VAL HG12 H 1 0.780 0.02 . 2 . . . A 57 VAL HG12 . 18485 1 704 . 1 1 57 57 VAL HG13 H 1 0.780 0.02 . 2 . . . A 57 VAL HG13 . 18485 1 705 . 1 1 57 57 VAL HG21 H 1 1.069 0.02 . 2 . . . A 57 VAL HG21 . 18485 1 706 . 1 1 57 57 VAL HG22 H 1 1.069 0.02 . 2 . . . A 57 VAL HG22 . 18485 1 707 . 1 1 57 57 VAL HG23 H 1 1.069 0.02 . 2 . . . A 57 VAL HG23 . 18485 1 708 . 1 1 57 57 VAL C C 13 177.804 0.30 . 1 . . . A 57 VAL C . 18485 1 709 . 1 1 57 57 VAL CA C 13 65.327 0.30 . 1 . . . A 57 VAL CA . 18485 1 710 . 1 1 57 57 VAL CB C 13 31.221 0.30 . 1 . . . A 57 VAL CB . 18485 1 711 . 1 1 57 57 VAL CG1 C 13 20.752 0.30 . 2 . . . A 57 VAL CG1 . 18485 1 712 . 1 1 57 57 VAL CG2 C 13 22.744 0.30 . 2 . . . A 57 VAL CG2 . 18485 1 713 . 1 1 58 58 VAL H H 1 7.540 0.02 . 1 . . . A 58 VAL H . 18485 1 714 . 1 1 58 58 VAL HA H 1 3.532 0.02 . 1 . . . A 58 VAL HA . 18485 1 715 . 1 1 58 58 VAL HB H 1 2.494 0.02 . 1 . . . A 58 VAL HB . 18485 1 716 . 1 1 58 58 VAL HG11 H 1 1.044 0.02 . 2 . . . A 58 VAL HG11 . 18485 1 717 . 1 1 58 58 VAL HG12 H 1 1.044 0.02 . 2 . . . A 58 VAL HG12 . 18485 1 718 . 1 1 58 58 VAL HG13 H 1 1.044 0.02 . 2 . . . A 58 VAL HG13 . 18485 1 719 . 1 1 58 58 VAL HG21 H 1 1.044 0.02 . 2 . . . A 58 VAL HG21 . 18485 1 720 . 1 1 58 58 VAL HG22 H 1 1.044 0.02 . 2 . . . A 58 VAL HG22 . 18485 1 721 . 1 1 58 58 VAL HG23 H 1 1.044 0.02 . 2 . . . A 58 VAL HG23 . 18485 1 722 . 1 1 58 58 VAL C C 13 177.270 0.30 . 1 . . . A 58 VAL C . 18485 1 723 . 1 1 58 58 VAL CA C 13 65.910 0.30 . 1 . . . A 58 VAL CA . 18485 1 724 . 1 1 58 58 VAL CB C 13 31.422 0.30 . 1 . . . A 58 VAL CB . 18485 1 725 . 1 1 58 58 VAL CG1 C 13 23.289 0.30 . 2 . . . A 58 VAL CG1 . 18485 1 726 . 1 1 58 58 VAL N N 15 120.641 0.30 . 1 . . . A 58 VAL N . 18485 1 727 . 1 1 59 59 ARG H H 1 7.536 0.02 . 1 . . . A 59 ARG H . 18485 1 728 . 1 1 59 59 ARG HA H 1 3.914 0.02 . 1 . . . A 59 ARG HA . 18485 1 729 . 1 1 59 59 ARG HB2 H 1 2.124 0.02 . 2 . . . A 59 ARG HB2 . 18485 1 730 . 1 1 59 59 ARG HB3 H 1 1.966 0.02 . 2 . . . A 59 ARG HB3 . 18485 1 731 . 1 1 59 59 ARG HG2 H 1 1.632 0.02 . 2 . . . A 59 ARG HG2 . 18485 1 732 . 1 1 59 59 ARG HG3 H 1 1.806 0.02 . 2 . . . A 59 ARG HG3 . 18485 1 733 . 1 1 59 59 ARG HD2 H 1 3.211 0.02 . 2 . . . A 59 ARG HD2 . 18485 1 734 . 1 1 59 59 ARG HD3 H 1 3.302 0.02 . 2 . . . A 59 ARG HD3 . 18485 1 735 . 1 1 59 59 ARG C C 13 178.579 0.30 . 1 . . . A 59 ARG C . 18485 1 736 . 1 1 59 59 ARG CA C 13 59.979 0.30 . 1 . . . A 59 ARG CA . 18485 1 737 . 1 1 59 59 ARG CB C 13 29.952 0.30 . 1 . . . A 59 ARG CB . 18485 1 738 . 1 1 59 59 ARG CG C 13 28.502 0.30 . 1 . . . A 59 ARG CG . 18485 1 739 . 1 1 59 59 ARG CD C 13 43.632 0.30 . 1 . . . A 59 ARG CD . 18485 1 740 . 1 1 59 59 ARG N N 15 118.263 0.30 . 1 . . . A 59 ARG N . 18485 1 741 . 1 1 60 60 SER H H 1 8.204 0.02 . 1 . . . A 60 SER H . 18485 1 742 . 1 1 60 60 SER HA H 1 4.161 0.02 . 1 . . . A 60 SER HA . 18485 1 743 . 1 1 60 60 SER HB2 H 1 3.925 0.02 . 2 . . . A 60 SER HB2 . 18485 1 744 . 1 1 60 60 SER HB3 H 1 3.955 0.02 . 2 . . . A 60 SER HB3 . 18485 1 745 . 1 1 60 60 SER C C 13 175.761 0.30 . 1 . . . A 60 SER C . 18485 1 746 . 1 1 60 60 SER CA C 13 61.435 0.30 . 1 . . . A 60 SER CA . 18485 1 747 . 1 1 60 60 SER CB C 13 62.721 0.30 . 1 . . . A 60 SER CB . 18485 1 748 . 1 1 60 60 SER N N 15 113.091 0.30 . 1 . . . A 60 SER N . 18485 1 749 . 1 1 61 61 TYR H H 1 8.024 0.02 . 1 . . . A 61 TYR H . 18485 1 750 . 1 1 61 61 TYR HA H 1 3.882 0.02 . 1 . . . A 61 TYR HA . 18485 1 751 . 1 1 61 61 TYR HB2 H 1 2.992 0.02 . 2 . . . A 61 TYR HB2 . 18485 1 752 . 1 1 61 61 TYR HB3 H 1 3.083 0.02 . 2 . . . A 61 TYR HB3 . 18485 1 753 . 1 1 61 61 TYR HD1 H 1 6.598 0.02 . 3 . . . A 61 TYR HD1 . 18485 1 754 . 1 1 61 61 TYR HD2 H 1 6.598 0.02 . 3 . . . A 61 TYR HD2 . 18485 1 755 . 1 1 61 61 TYR HE1 H 1 6.463 0.02 . 3 . . . A 61 TYR HE1 . 18485 1 756 . 1 1 61 61 TYR HE2 H 1 6.463 0.02 . 3 . . . A 61 TYR HE2 . 18485 1 757 . 1 1 61 61 TYR C C 13 177.731 0.30 . 1 . . . A 61 TYR C . 18485 1 758 . 1 1 61 61 TYR CA C 13 62.028 0.30 . 1 . . . A 61 TYR CA . 18485 1 759 . 1 1 61 61 TYR CB C 13 39.155 0.30 . 1 . . . A 61 TYR CB . 18485 1 760 . 1 1 61 61 TYR CD1 C 13 132.602 0.30 . 3 . . . A 61 TYR CD1 . 18485 1 761 . 1 1 61 61 TYR CE1 C 13 117.944 0.30 . 3 . . . A 61 TYR CE1 . 18485 1 762 . 1 1 61 61 TYR N N 15 123.436 0.30 . 1 . . . A 61 TYR N . 18485 1 763 . 1 1 62 62 VAL H H 1 7.754 0.02 . 1 . . . A 62 VAL H . 18485 1 764 . 1 1 62 62 VAL HA H 1 3.529 0.02 . 1 . . . A 62 VAL HA . 18485 1 765 . 1 1 62 62 VAL HB H 1 1.930 0.02 . 1 . . . A 62 VAL HB . 18485 1 766 . 1 1 62 62 VAL HG11 H 1 0.649 0.02 . 2 . . . A 62 VAL HG11 . 18485 1 767 . 1 1 62 62 VAL HG12 H 1 0.649 0.02 . 2 . . . A 62 VAL HG12 . 18485 1 768 . 1 1 62 62 VAL HG13 H 1 0.649 0.02 . 2 . . . A 62 VAL HG13 . 18485 1 769 . 1 1 62 62 VAL HG21 H 1 0.649 0.02 . 2 . . . A 62 VAL HG21 . 18485 1 770 . 1 1 62 62 VAL HG22 H 1 0.649 0.02 . 2 . . . A 62 VAL HG22 . 18485 1 771 . 1 1 62 62 VAL HG23 H 1 0.649 0.02 . 2 . . . A 62 VAL HG23 . 18485 1 772 . 1 1 62 62 VAL C C 13 176.990 0.30 . 1 . . . A 62 VAL C . 18485 1 773 . 1 1 62 62 VAL CA C 13 65.224 0.30 . 1 . . . A 62 VAL CA . 18485 1 774 . 1 1 62 62 VAL CB C 13 31.436 0.30 . 1 . . . A 62 VAL CB . 18485 1 775 . 1 1 62 62 VAL CG1 C 13 21.762 0.30 . 2 . . . A 62 VAL CG1 . 18485 1 776 . 1 1 62 62 VAL N N 15 115.253 0.30 . 1 . . . A 62 VAL N . 18485 1 777 . 1 1 63 63 LYS H H 1 7.367 0.02 . 1 . . . A 63 LYS H . 18485 1 778 . 1 1 63 63 LYS HA H 1 4.029 0.02 . 1 . . . A 63 LYS HA . 18485 1 779 . 1 1 63 63 LYS HB2 H 1 1.835 0.02 . 2 . . . A 63 LYS HB2 . 18485 1 780 . 1 1 63 63 LYS HB3 H 1 1.835 0.02 . 2 . . . A 63 LYS HB3 . 18485 1 781 . 1 1 63 63 LYS HG2 H 1 1.627 0.02 . 2 . . . A 63 LYS HG2 . 18485 1 782 . 1 1 63 63 LYS HG3 H 1 1.627 0.02 . 2 . . . A 63 LYS HG3 . 18485 1 783 . 1 1 63 63 LYS HD2 H 1 1.382 0.02 . 2 . . . A 63 LYS HD2 . 18485 1 784 . 1 1 63 63 LYS HD3 H 1 1.504 0.02 . 2 . . . A 63 LYS HD3 . 18485 1 785 . 1 1 63 63 LYS HE2 H 1 2.890 0.02 . 2 . . . A 63 LYS HE2 . 18485 1 786 . 1 1 63 63 LYS HE3 H 1 2.890 0.02 . 2 . . . A 63 LYS HE3 . 18485 1 787 . 1 1 63 63 LYS C C 13 177.549 0.30 . 1 . . . A 63 LYS C . 18485 1 788 . 1 1 63 63 LYS CA C 13 58.327 0.30 . 1 . . . A 63 LYS CA . 18485 1 789 . 1 1 63 63 LYS CB C 13 32.761 0.30 . 1 . . . A 63 LYS CB . 18485 1 790 . 1 1 63 63 LYS CG C 13 29.202 0.30 . 1 . . . A 63 LYS CG . 18485 1 791 . 1 1 63 63 LYS CD C 13 25.198 0.30 . 1 . . . A 63 LYS CD . 18485 1 792 . 1 1 63 63 LYS CE C 13 41.883 0.30 . 1 . . . A 63 LYS CE . 18485 1 793 . 1 1 63 63 LYS N N 15 117.543 0.30 . 1 . . . A 63 LYS N . 18485 1 794 . 1 1 64 64 GLU H H 1 7.701 0.02 . 1 . . . A 64 GLU H . 18485 1 795 . 1 1 64 64 GLU HA H 1 4.114 0.02 . 1 . . . A 64 GLU HA . 18485 1 796 . 1 1 64 64 GLU HB2 H 1 1.892 0.02 . 2 . . . A 64 GLU HB2 . 18485 1 797 . 1 1 64 64 GLU HB3 H 1 1.892 0.02 . 2 . . . A 64 GLU HB3 . 18485 1 798 . 1 1 64 64 GLU HG2 H 1 2.267 0.02 . 2 . . . A 64 GLU HG2 . 18485 1 799 . 1 1 64 64 GLU HG3 H 1 2.104 0.02 . 2 . . . A 64 GLU HG3 . 18485 1 800 . 1 1 64 64 GLU C C 13 177.547 0.30 . 1 . . . A 64 GLU C . 18485 1 801 . 1 1 64 64 GLU CA C 13 57.505 0.30 . 1 . . . A 64 GLU CA . 18485 1 802 . 1 1 64 64 GLU CB C 13 30.377 0.30 . 1 . . . A 64 GLU CB . 18485 1 803 . 1 1 64 64 GLU CG C 13 36.182 0.30 . 1 . . . A 64 GLU CG . 18485 1 804 . 1 1 64 64 GLU N N 15 116.093 0.30 . 1 . . . A 64 GLU N . 18485 1 805 . 1 1 65 65 VAL H H 1 7.608 0.02 . 1 . . . A 65 VAL H . 18485 1 806 . 1 1 65 65 VAL HA H 1 3.835 0.02 . 1 . . . A 65 VAL HA . 18485 1 807 . 1 1 65 65 VAL HB H 1 1.547 0.02 . 1 . . . A 65 VAL HB . 18485 1 808 . 1 1 65 65 VAL HG11 H 1 0.576 0.02 . 2 . . . A 65 VAL HG11 . 18485 1 809 . 1 1 65 65 VAL HG12 H 1 0.576 0.02 . 2 . . . A 65 VAL HG12 . 18485 1 810 . 1 1 65 65 VAL HG13 H 1 0.576 0.02 . 2 . . . A 65 VAL HG13 . 18485 1 811 . 1 1 65 65 VAL HG21 H 1 0.576 0.02 . 2 . . . A 65 VAL HG21 . 18485 1 812 . 1 1 65 65 VAL HG22 H 1 0.576 0.02 . 2 . . . A 65 VAL HG22 . 18485 1 813 . 1 1 65 65 VAL HG23 H 1 0.576 0.02 . 2 . . . A 65 VAL HG23 . 18485 1 814 . 1 1 65 65 VAL C C 13 176.335 0.30 . 1 . . . A 65 VAL C . 18485 1 815 . 1 1 65 65 VAL CA C 13 63.496 0.30 . 1 . . . A 65 VAL CA . 18485 1 816 . 1 1 65 65 VAL CB C 13 32.243 0.30 . 1 . . . A 65 VAL CB . 18485 1 817 . 1 1 65 65 VAL CG1 C 13 20.998 0.30 . 2 . . . A 65 VAL CG1 . 18485 1 818 . 1 1 65 65 VAL N N 15 116.739 0.30 . 1 . . . A 65 VAL N . 18485 1 819 . 1 1 66 66 SER H H 1 7.526 0.02 . 1 . . . A 66 SER H . 18485 1 820 . 1 1 66 66 SER HA H 1 4.230 0.02 . 1 . . . A 66 SER HA . 18485 1 821 . 1 1 66 66 SER HB2 H 1 3.514 0.02 . 2 . . . A 66 SER HB2 . 18485 1 822 . 1 1 66 66 SER HB3 H 1 3.659 0.02 . 2 . . . A 66 SER HB3 . 18485 1 823 . 1 1 66 66 SER C C 13 174.345 0.30 . 1 . . . A 66 SER C . 18485 1 824 . 1 1 66 66 SER CA C 13 58.038 0.30 . 1 . . . A 66 SER CA . 18485 1 825 . 1 1 66 66 SER CB C 13 63.898 0.30 . 1 . . . A 66 SER CB . 18485 1 826 . 1 1 66 66 SER N N 15 114.353 0.30 . 1 . . . A 66 SER N . 18485 1 827 . 1 1 67 67 GLU H H 1 7.966 0.02 . 1 . . . A 67 GLU H . 18485 1 828 . 1 1 67 67 GLU HA H 1 3.865 0.02 . 1 . . . A 67 GLU HA . 18485 1 829 . 1 1 67 67 GLU HB2 H 1 1.642 0.02 . 2 . . . A 67 GLU HB2 . 18485 1 830 . 1 1 67 67 GLU HB3 H 1 1.642 0.02 . 2 . . . A 67 GLU HB3 . 18485 1 831 . 1 1 67 67 GLU HG2 H 1 1.902 0.02 . 2 . . . A 67 GLU HG2 . 18485 1 832 . 1 1 67 67 GLU HG3 H 1 1.994 0.02 . 2 . . . A 67 GLU HG3 . 18485 1 833 . 1 1 67 67 GLU C C 13 175.748 0.30 . 1 . . . A 67 GLU C . 18485 1 834 . 1 1 67 67 GLU CA C 13 57.845 0.30 . 1 . . . A 67 GLU CA . 18485 1 835 . 1 1 67 67 GLU CB C 13 29.380 0.30 . 1 . . . A 67 GLU CB . 18485 1 836 . 1 1 67 67 GLU CG C 13 36.118 0.30 . 1 . . . A 67 GLU CG . 18485 1 837 . 1 1 67 67 GLU N N 15 121.681 0.30 . 1 . . . A 67 GLU N . 18485 1 838 . 1 1 68 68 TRP H H 1 7.633 0.02 . 1 . . . A 68 TRP H . 18485 1 839 . 1 1 68 68 TRP HA H 1 4.935 0.02 . 1 . . . A 68 TRP HA . 18485 1 840 . 1 1 68 68 TRP HB2 H 1 3.155 0.02 . 2 . . . A 68 TRP HB2 . 18485 1 841 . 1 1 68 68 TRP HB3 H 1 2.924 0.02 . 2 . . . A 68 TRP HB3 . 18485 1 842 . 1 1 68 68 TRP HD1 H 1 7.285 0.02 . 1 . . . A 68 TRP HD1 . 18485 1 843 . 1 1 68 68 TRP HE1 H 1 10.066 0.02 . 1 . . . A 68 TRP HE1 . 18485 1 844 . 1 1 68 68 TRP HE3 H 1 7.734 0.02 . 1 . . . A 68 TRP HE3 . 18485 1 845 . 1 1 68 68 TRP HZ2 H 1 7.558 0.02 . 1 . . . A 68 TRP HZ2 . 18485 1 846 . 1 1 68 68 TRP HZ3 H 1 7.209 0.02 . 1 . . . A 68 TRP HZ3 . 18485 1 847 . 1 1 68 68 TRP HH2 H 1 7.283 0.02 . 1 . . . A 68 TRP HH2 . 18485 1 848 . 1 1 68 68 TRP CA C 13 53.856 0.30 . 1 . . . A 68 TRP CA . 18485 1 849 . 1 1 68 68 TRP CB C 13 30.717 0.30 . 1 . . . A 68 TRP CB . 18485 1 850 . 1 1 68 68 TRP CD1 C 13 127.117 0.30 . 1 . . . A 68 TRP CD1 . 18485 1 851 . 1 1 68 68 TRP CE3 C 13 120.903 0.30 . 1 . . . A 68 TRP CE3 . 18485 1 852 . 1 1 68 68 TRP CZ2 C 13 114.680 0.30 . 1 . . . A 68 TRP CZ2 . 18485 1 853 . 1 1 68 68 TRP CZ3 C 13 122.207 0.30 . 1 . . . A 68 TRP CZ3 . 18485 1 854 . 1 1 68 68 TRP CH2 C 13 124.887 0.30 . 1 . . . A 68 TRP CH2 . 18485 1 855 . 1 1 68 68 TRP N N 15 119.264 0.30 . 1 . . . A 68 TRP N . 18485 1 856 . 1 1 68 68 TRP NE1 N 15 129.093 0.30 . 1 . . . A 68 TRP NE1 . 18485 1 857 . 1 1 69 69 PRO HA H 1 4.442 0.02 . 1 . . . A 69 PRO HA . 18485 1 858 . 1 1 69 69 PRO HB2 H 1 1.955 0.02 . 2 . . . A 69 PRO HB2 . 18485 1 859 . 1 1 69 69 PRO HB3 H 1 1.955 0.02 . 2 . . . A 69 PRO HB3 . 18485 1 860 . 1 1 69 69 PRO HG2 H 1 1.688 0.02 . 2 . . . A 69 PRO HG2 . 18485 1 861 . 1 1 69 69 PRO HG3 H 1 1.864 0.02 . 2 . . . A 69 PRO HG3 . 18485 1 862 . 1 1 69 69 PRO HD2 H 1 3.514 0.02 . 2 . . . A 69 PRO HD2 . 18485 1 863 . 1 1 69 69 PRO HD3 H 1 3.070 0.02 . 2 . . . A 69 PRO HD3 . 18485 1 864 . 1 1 69 69 PRO C C 13 176.375 0.30 . 1 . . . A 69 PRO C . 18485 1 865 . 1 1 69 69 PRO CA C 13 63.567 0.30 . 1 . . . A 69 PRO CA . 18485 1 866 . 1 1 69 69 PRO CB C 13 31.513 0.30 . 1 . . . A 69 PRO CB . 18485 1 867 . 1 1 69 69 PRO CG C 13 26.793 0.30 . 1 . . . A 69 PRO CG . 18485 1 868 . 1 1 69 69 PRO CD C 13 50.242 0.30 . 1 . . . A 69 PRO CD . 18485 1 869 . 1 1 70 70 THR H H 1 7.162 0.02 . 1 . . . A 70 THR H . 18485 1 870 . 1 1 70 70 THR HA H 1 4.344 0.02 . 1 . . . A 70 THR HA . 18485 1 871 . 1 1 70 70 THR HB H 1 3.951 0.02 . 1 . . . A 70 THR HB . 18485 1 872 . 1 1 70 70 THR HG21 H 1 1.197 0.02 . 1 . . . A 70 THR HG21 . 18485 1 873 . 1 1 70 70 THR HG22 H 1 1.197 0.02 . 1 . . . A 70 THR HG22 . 18485 1 874 . 1 1 70 70 THR HG23 H 1 1.197 0.02 . 1 . . . A 70 THR HG23 . 18485 1 875 . 1 1 70 70 THR C C 13 172.275 0.30 . 1 . . . A 70 THR C . 18485 1 876 . 1 1 70 70 THR CA C 13 61.465 0.30 . 1 . . . A 70 THR CA . 18485 1 877 . 1 1 70 70 THR CB C 13 70.433 0.30 . 1 . . . A 70 THR CB . 18485 1 878 . 1 1 70 70 THR CG2 C 13 21.477 0.30 . 1 . . . A 70 THR CG2 . 18485 1 879 . 1 1 70 70 THR N N 15 114.312 0.30 . 1 . . . A 70 THR N . 18485 1 880 . 1 1 71 71 ILE H H 1 8.398 0.02 . 1 . . . A 71 ILE H . 18485 1 881 . 1 1 71 71 ILE HA H 1 4.502 0.02 . 1 . . . A 71 ILE HA . 18485 1 882 . 1 1 71 71 ILE HB H 1 2.069 0.02 . 1 . . . A 71 ILE HB . 18485 1 883 . 1 1 71 71 ILE HG12 H 1 1.546 0.02 . 2 . . . A 71 ILE HG12 . 18485 1 884 . 1 1 71 71 ILE HG13 H 1 1.508 0.02 . 2 . . . A 71 ILE HG13 . 18485 1 885 . 1 1 71 71 ILE HG21 H 1 0.954 0.02 . 1 . . . A 71 ILE HG21 . 18485 1 886 . 1 1 71 71 ILE HG22 H 1 0.954 0.02 . 1 . . . A 71 ILE HG22 . 18485 1 887 . 1 1 71 71 ILE HG23 H 1 0.954 0.02 . 1 . . . A 71 ILE HG23 . 18485 1 888 . 1 1 71 71 ILE HD11 H 1 0.899 0.02 . 1 . . . A 71 ILE HD11 . 18485 1 889 . 1 1 71 71 ILE HD12 H 1 0.899 0.02 . 1 . . . A 71 ILE HD12 . 18485 1 890 . 1 1 71 71 ILE HD13 H 1 0.899 0.02 . 1 . . . A 71 ILE HD13 . 18485 1 891 . 1 1 71 71 ILE C C 13 175.106 0.30 . 1 . . . A 71 ILE C . 18485 1 892 . 1 1 71 71 ILE CA C 13 55.755 0.30 . 1 . . . A 71 ILE CA . 18485 1 893 . 1 1 71 71 ILE CB C 13 40.077 0.30 . 1 . . . A 71 ILE CB . 18485 1 894 . 1 1 71 71 ILE CG1 C 13 26.429 0.30 . 1 . . . A 71 ILE CG1 . 18485 1 895 . 1 1 71 71 ILE CG2 C 13 17.954 0.30 . 1 . . . A 71 ILE CG2 . 18485 1 896 . 1 1 71 71 ILE CD1 C 13 11.992 0.30 . 1 . . . A 71 ILE CD1 . 18485 1 897 . 1 1 71 71 ILE N N 15 123.770 0.30 . 1 . . . A 71 ILE N . 18485 1 898 . 1 1 72 72 PRO HA H 1 5.558 0.02 . 1 . . . A 72 PRO HA . 18485 1 899 . 1 1 72 72 PRO HB2 H 1 2.653 0.02 . 2 . . . A 72 PRO HB2 . 18485 1 900 . 1 1 72 72 PRO HB3 H 1 2.238 0.02 . 2 . . . A 72 PRO HB3 . 18485 1 901 . 1 1 72 72 PRO HG2 H 1 2.150 0.02 . 2 . . . A 72 PRO HG2 . 18485 1 902 . 1 1 72 72 PRO HG3 H 1 1.753 0.02 . 2 . . . A 72 PRO HG3 . 18485 1 903 . 1 1 72 72 PRO HD2 H 1 3.972 0.02 . 2 . . . A 72 PRO HD2 . 18485 1 904 . 1 1 72 72 PRO HD3 H 1 3.417 0.02 . 2 . . . A 72 PRO HD3 . 18485 1 905 . 1 1 72 72 PRO C C 13 175.507 0.30 . 1 . . . A 72 PRO C . 18485 1 906 . 1 1 72 72 PRO CA C 13 62.438 0.30 . 1 . . . A 72 PRO CA . 18485 1 907 . 1 1 72 72 PRO CB C 13 37.656 0.30 . 1 . . . A 72 PRO CB . 18485 1 908 . 1 1 72 72 PRO CG C 13 25.201 0.30 . 1 . . . A 72 PRO CG . 18485 1 909 . 1 1 72 72 PRO CD C 13 50.878 0.30 . 1 . . . A 72 PRO CD . 18485 1 910 . 1 1 73 73 GLN H H 1 8.521 0.02 . 1 . . . A 73 GLN H . 18485 1 911 . 1 1 73 73 GLN HA H 1 5.092 0.02 . 1 . . . A 73 GLN HA . 18485 1 912 . 1 1 73 73 GLN HB2 H 1 2.584 0.02 . 2 . . . A 73 GLN HB2 . 18485 1 913 . 1 1 73 73 GLN HB3 H 1 2.584 0.02 . 2 . . . A 73 GLN HB3 . 18485 1 914 . 1 1 73 73 GLN HG2 H 1 2.674 0.02 . 2 . . . A 73 GLN HG2 . 18485 1 915 . 1 1 73 73 GLN HG3 H 1 2.674 0.02 . 2 . . . A 73 GLN HG3 . 18485 1 916 . 1 1 73 73 GLN HE21 H 1 6.483 0.02 . 2 . . . A 73 GLN HE21 . 18485 1 917 . 1 1 73 73 GLN HE22 H 1 7.760 0.02 . 2 . . . A 73 GLN HE22 . 18485 1 918 . 1 1 73 73 GLN C C 13 174.559 0.30 . 1 . . . A 73 GLN C . 18485 1 919 . 1 1 73 73 GLN CA C 13 55.529 0.30 . 1 . . . A 73 GLN CA . 18485 1 920 . 1 1 73 73 GLN CB C 13 34.440 0.30 . 1 . . . A 73 GLN CB . 18485 1 921 . 1 1 73 73 GLN CG C 13 34.701 0.30 . 1 . . . A 73 GLN CG . 18485 1 922 . 1 1 73 73 GLN N N 15 112.013 0.30 . 1 . . . A 73 GLN N . 18485 1 923 . 1 1 73 73 GLN NE2 N 15 106.887 0.30 . 1 . . . A 73 GLN NE2 . 18485 1 924 . 1 1 74 74 LEU H H 1 8.266 0.02 . 1 . . . A 74 LEU H . 18485 1 925 . 1 1 74 74 LEU HA H 1 5.332 0.02 . 1 . . . A 74 LEU HA . 18485 1 926 . 1 1 74 74 LEU HB2 H 1 1.305 0.02 . 2 . . . A 74 LEU HB2 . 18485 1 927 . 1 1 74 74 LEU HB3 H 1 1.680 0.02 . 2 . . . A 74 LEU HB3 . 18485 1 928 . 1 1 74 74 LEU HG H 1 1.393 0.02 . 1 . . . A 74 LEU HG . 18485 1 929 . 1 1 74 74 LEU HD11 H 1 0.997 0.02 . 2 . . . A 74 LEU HD11 . 18485 1 930 . 1 1 74 74 LEU HD12 H 1 0.997 0.02 . 2 . . . A 74 LEU HD12 . 18485 1 931 . 1 1 74 74 LEU HD13 H 1 0.997 0.02 . 2 . . . A 74 LEU HD13 . 18485 1 932 . 1 1 74 74 LEU HD21 H 1 0.698 0.02 . 2 . . . A 74 LEU HD21 . 18485 1 933 . 1 1 74 74 LEU HD22 H 1 0.698 0.02 . 2 . . . A 74 LEU HD22 . 18485 1 934 . 1 1 74 74 LEU HD23 H 1 0.698 0.02 . 2 . . . A 74 LEU HD23 . 18485 1 935 . 1 1 74 74 LEU C C 13 172.761 0.30 . 1 . . . A 74 LEU C . 18485 1 936 . 1 1 74 74 LEU CA C 13 54.555 0.30 . 1 . . . A 74 LEU CA . 18485 1 937 . 1 1 74 74 LEU CB C 13 47.043 0.30 . 1 . . . A 74 LEU CB . 18485 1 938 . 1 1 74 74 LEU CG C 13 27.763 0.30 . 1 . . . A 74 LEU CG . 18485 1 939 . 1 1 74 74 LEU CD1 C 13 24.403 0.30 . 2 . . . A 74 LEU CD1 . 18485 1 940 . 1 1 74 74 LEU CD2 C 13 26.344 0.30 . 2 . . . A 74 LEU CD2 . 18485 1 941 . 1 1 74 74 LEU N N 15 124.684 0.30 . 1 . . . A 74 LEU N . 18485 1 942 . 1 1 75 75 PHE H H 1 9.692 0.02 . 1 . . . A 75 PHE H . 18485 1 943 . 1 1 75 75 PHE HA H 1 5.243 0.02 . 1 . . . A 75 PHE HA . 18485 1 944 . 1 1 75 75 PHE HB2 H 1 2.670 0.02 . 2 . . . A 75 PHE HB2 . 18485 1 945 . 1 1 75 75 PHE HB3 H 1 3.271 0.02 . 2 . . . A 75 PHE HB3 . 18485 1 946 . 1 1 75 75 PHE HD1 H 1 7.097 0.02 . 3 . . . A 75 PHE HD1 . 18485 1 947 . 1 1 75 75 PHE HD2 H 1 7.097 0.02 . 3 . . . A 75 PHE HD2 . 18485 1 948 . 1 1 75 75 PHE HE1 H 1 7.598 0.02 . 3 . . . A 75 PHE HE1 . 18485 1 949 . 1 1 75 75 PHE HE2 H 1 7.598 0.02 . 3 . . . A 75 PHE HE2 . 18485 1 950 . 1 1 75 75 PHE HZ H 1 7.330 0.02 . 1 . . . A 75 PHE HZ . 18485 1 951 . 1 1 75 75 PHE C C 13 174.813 0.30 . 1 . . . A 75 PHE C . 18485 1 952 . 1 1 75 75 PHE CA C 13 57.068 0.30 . 1 . . . A 75 PHE CA . 18485 1 953 . 1 1 75 75 PHE CB C 13 42.649 0.30 . 1 . . . A 75 PHE CB . 18485 1 954 . 1 1 75 75 PHE CD1 C 13 130.995 0.30 . 3 . . . A 75 PHE CD1 . 18485 1 955 . 1 1 75 75 PHE CE1 C 13 132.177 0.30 . 3 . . . A 75 PHE CE1 . 18485 1 956 . 1 1 75 75 PHE CZ C 13 130.222 0.30 . 1 . . . A 75 PHE CZ . 18485 1 957 . 1 1 75 75 PHE N N 15 126.827 0.30 . 1 . . . A 75 PHE N . 18485 1 958 . 1 1 76 76 ILE H H 1 8.612 0.02 . 1 . . . A 76 ILE H . 18485 1 959 . 1 1 76 76 ILE HA H 1 5.103 0.02 . 1 . . . A 76 ILE HA . 18485 1 960 . 1 1 76 76 ILE HB H 1 1.595 0.02 . 1 . . . A 76 ILE HB . 18485 1 961 . 1 1 76 76 ILE HG12 H 1 1.136 0.02 . 2 . . . A 76 ILE HG12 . 18485 1 962 . 1 1 76 76 ILE HG13 H 1 1.478 0.02 . 2 . . . A 76 ILE HG13 . 18485 1 963 . 1 1 76 76 ILE HG21 H 1 0.792 0.02 . 1 . . . A 76 ILE HG21 . 18485 1 964 . 1 1 76 76 ILE HG22 H 1 0.792 0.02 . 1 . . . A 76 ILE HG22 . 18485 1 965 . 1 1 76 76 ILE HG23 H 1 0.792 0.02 . 1 . . . A 76 ILE HG23 . 18485 1 966 . 1 1 76 76 ILE HD11 H 1 0.806 0.02 . 1 . . . A 76 ILE HD11 . 18485 1 967 . 1 1 76 76 ILE HD12 H 1 0.806 0.02 . 1 . . . A 76 ILE HD12 . 18485 1 968 . 1 1 76 76 ILE HD13 H 1 0.806 0.02 . 1 . . . A 76 ILE HD13 . 18485 1 969 . 1 1 76 76 ILE C C 13 176.242 0.30 . 1 . . . A 76 ILE C . 18485 1 970 . 1 1 76 76 ILE CA C 13 59.193 0.30 . 1 . . . A 76 ILE CA . 18485 1 971 . 1 1 76 76 ILE CB C 13 40.525 0.30 . 1 . . . A 76 ILE CB . 18485 1 972 . 1 1 76 76 ILE CG1 C 13 27.834 0.30 . 1 . . . A 76 ILE CG1 . 18485 1 973 . 1 1 76 76 ILE CG2 C 13 17.393 0.30 . 1 . . . A 76 ILE CG2 . 18485 1 974 . 1 1 76 76 ILE CD1 C 13 13.318 0.30 . 1 . . . A 76 ILE CD1 . 18485 1 975 . 1 1 76 76 ILE N N 15 118.421 0.30 . 1 . . . A 76 ILE N . 18485 1 976 . 1 1 77 77 LYS H H 1 10.357 0.02 . 1 . . . A 77 LYS H . 18485 1 977 . 1 1 77 77 LYS HA H 1 4.192 0.02 . 1 . . . A 77 LYS HA . 18485 1 978 . 1 1 77 77 LYS HB2 H 1 2.227 0.02 . 2 . . . A 77 LYS HB2 . 18485 1 979 . 1 1 77 77 LYS HB3 H 1 1.698 0.02 . 2 . . . A 77 LYS HB3 . 18485 1 980 . 1 1 77 77 LYS HG2 H 1 1.575 0.02 . 2 . . . A 77 LYS HG2 . 18485 1 981 . 1 1 77 77 LYS HG3 H 1 1.575 0.02 . 2 . . . A 77 LYS HG3 . 18485 1 982 . 1 1 77 77 LYS HD2 H 1 1.791 0.02 . 2 . . . A 77 LYS HD2 . 18485 1 983 . 1 1 77 77 LYS HD3 H 1 1.791 0.02 . 2 . . . A 77 LYS HD3 . 18485 1 984 . 1 1 77 77 LYS HE2 H 1 3.093 0.02 . 2 . . . A 77 LYS HE2 . 18485 1 985 . 1 1 77 77 LYS HE3 H 1 2.903 0.02 . 2 . . . A 77 LYS HE3 . 18485 1 986 . 1 1 77 77 LYS C C 13 175.887 0.30 . 1 . . . A 77 LYS C . 18485 1 987 . 1 1 77 77 LYS CA C 13 56.601 0.30 . 1 . . . A 77 LYS CA . 18485 1 988 . 1 1 77 77 LYS CB C 13 30.599 0.30 . 1 . . . A 77 LYS CB . 18485 1 989 . 1 1 77 77 LYS CG C 13 25.935 0.30 . 1 . . . A 77 LYS CG . 18485 1 990 . 1 1 77 77 LYS CD C 13 29.196 0.30 . 1 . . . A 77 LYS CD . 18485 1 991 . 1 1 77 77 LYS CE C 13 42.101 0.30 . 1 . . . A 77 LYS CE . 18485 1 992 . 1 1 77 77 LYS N N 15 129.856 0.30 . 1 . . . A 77 LYS N . 18485 1 993 . 1 1 78 78 ALA H H 1 9.554 0.02 . 1 . . . A 78 ALA H . 18485 1 994 . 1 1 78 78 ALA HA H 1 3.838 0.02 . 1 . . . A 78 ALA HA . 18485 1 995 . 1 1 78 78 ALA HB1 H 1 1.678 0.02 . 1 . . . A 78 ALA HB1 . 18485 1 996 . 1 1 78 78 ALA HB2 H 1 1.678 0.02 . 1 . . . A 78 ALA HB2 . 18485 1 997 . 1 1 78 78 ALA HB3 H 1 1.678 0.02 . 1 . . . A 78 ALA HB3 . 18485 1 998 . 1 1 78 78 ALA C C 13 175.949 0.30 . 1 . . . A 78 ALA C . 18485 1 999 . 1 1 78 78 ALA CA C 13 53.518 0.30 . 1 . . . A 78 ALA CA . 18485 1 1000 . 1 1 78 78 ALA CB C 13 18.235 0.30 . 1 . . . A 78 ALA CB . 18485 1 1001 . 1 1 78 78 ALA N N 15 114.323 0.30 . 1 . . . A 78 ALA N . 18485 1 1002 . 1 1 79 79 GLU H H 1 8.219 0.02 . 1 . . . A 79 GLU H . 18485 1 1003 . 1 1 79 79 GLU HA H 1 4.764 0.02 . 1 . . . A 79 GLU HA . 18485 1 1004 . 1 1 79 79 GLU HB2 H 1 1.984 0.02 . 2 . . . A 79 GLU HB2 . 18485 1 1005 . 1 1 79 79 GLU HB3 H 1 2.073 0.02 . 2 . . . A 79 GLU HB3 . 18485 1 1006 . 1 1 79 79 GLU HG2 H 1 2.199 0.02 . 2 . . . A 79 GLU HG2 . 18485 1 1007 . 1 1 79 79 GLU HG3 H 1 2.348 0.02 . 2 . . . A 79 GLU HG3 . 18485 1 1008 . 1 1 79 79 GLU C C 13 175.200 0.30 . 1 . . . A 79 GLU C . 18485 1 1009 . 1 1 79 79 GLU CA C 13 54.771 0.30 . 1 . . . A 79 GLU CA . 18485 1 1010 . 1 1 79 79 GLU CB C 13 32.002 0.30 . 1 . . . A 79 GLU CB . 18485 1 1011 . 1 1 79 79 GLU CG C 13 36.282 0.30 . 1 . . . A 79 GLU CG . 18485 1 1012 . 1 1 79 79 GLU N N 15 120.498 0.30 . 1 . . . A 79 GLU N . 18485 1 1013 . 1 1 80 80 PHE H H 1 8.935 0.02 . 1 . . . A 80 PHE H . 18485 1 1014 . 1 1 80 80 PHE HA H 1 3.392 0.02 . 1 . . . A 80 PHE HA . 18485 1 1015 . 1 1 80 80 PHE HB2 H 1 2.737 0.02 . 2 . . . A 80 PHE HB2 . 18485 1 1016 . 1 1 80 80 PHE HB3 H 1 2.791 0.02 . 2 . . . A 80 PHE HB3 . 18485 1 1017 . 1 1 80 80 PHE HD1 H 1 6.625 0.02 . 3 . . . A 80 PHE HD1 . 18485 1 1018 . 1 1 80 80 PHE HD2 H 1 6.625 0.02 . 3 . . . A 80 PHE HD2 . 18485 1 1019 . 1 1 80 80 PHE HE1 H 1 6.955 0.02 . 3 . . . A 80 PHE HE1 . 18485 1 1020 . 1 1 80 80 PHE HE2 H 1 6.955 0.02 . 3 . . . A 80 PHE HE2 . 18485 1 1021 . 1 1 80 80 PHE HZ H 1 6.840 0.02 . 1 . . . A 80 PHE HZ . 18485 1 1022 . 1 1 80 80 PHE C C 13 175.280 0.30 . 1 . . . A 80 PHE C . 18485 1 1023 . 1 1 80 80 PHE CA C 13 58.259 0.30 . 1 . . . A 80 PHE CA . 18485 1 1024 . 1 1 80 80 PHE CB C 13 38.548 0.30 . 1 . . . A 80 PHE CB . 18485 1 1025 . 1 1 80 80 PHE CD2 C 13 132.080 0.30 . 3 . . . A 80 PHE CD2 . 18485 1 1026 . 1 1 80 80 PHE CE2 C 13 130.544 0.30 . 3 . . . A 80 PHE CE2 . 18485 1 1027 . 1 1 80 80 PHE CZ C 13 128.887 0.30 . 1 . . . A 80 PHE CZ . 18485 1 1028 . 1 1 80 80 PHE N N 15 125.962 0.30 . 1 . . . A 80 PHE N . 18485 1 1029 . 1 1 81 81 VAL H H 1 8.288 0.02 . 1 . . . A 81 VAL H . 18485 1 1030 . 1 1 81 81 VAL HA H 1 3.769 0.02 . 1 . . . A 81 VAL HA . 18485 1 1031 . 1 1 81 81 VAL HB H 1 1.463 0.02 . 1 . . . A 81 VAL HB . 18485 1 1032 . 1 1 81 81 VAL HG11 H 1 0.783 0.02 . 2 . . . A 81 VAL HG11 . 18485 1 1033 . 1 1 81 81 VAL HG12 H 1 0.783 0.02 . 2 . . . A 81 VAL HG12 . 18485 1 1034 . 1 1 81 81 VAL HG13 H 1 0.783 0.02 . 2 . . . A 81 VAL HG13 . 18485 1 1035 . 1 1 81 81 VAL HG21 H 1 0.616 0.02 . 2 . . . A 81 VAL HG21 . 18485 1 1036 . 1 1 81 81 VAL HG22 H 1 0.616 0.02 . 2 . . . A 81 VAL HG22 . 18485 1 1037 . 1 1 81 81 VAL HG23 H 1 0.616 0.02 . 2 . . . A 81 VAL HG23 . 18485 1 1038 . 1 1 81 81 VAL C C 13 174.733 0.30 . 1 . . . A 81 VAL C . 18485 1 1039 . 1 1 81 81 VAL CA C 13 63.039 0.30 . 1 . . . A 81 VAL CA . 18485 1 1040 . 1 1 81 81 VAL CB C 13 32.638 0.30 . 1 . . . A 81 VAL CB . 18485 1 1041 . 1 1 81 81 VAL CG1 C 13 21.987 0.30 . 2 . . . A 81 VAL CG1 . 18485 1 1042 . 1 1 81 81 VAL CG2 C 13 21.388 0.30 . 2 . . . A 81 VAL CG2 . 18485 1 1043 . 1 1 81 81 VAL N N 15 128.637 0.30 . 1 . . . A 81 VAL N . 18485 1 1044 . 1 1 82 82 GLY H H 1 5.816 0.02 . 1 . . . A 82 GLY H . 18485 1 1045 . 1 1 82 82 GLY HA2 H 1 3.059 0.02 . 2 . . . A 82 GLY HA2 . 18485 1 1046 . 1 1 82 82 GLY HA3 H 1 3.853 0.02 . 2 . . . A 82 GLY HA3 . 18485 1 1047 . 1 1 82 82 GLY C C 13 172.515 0.30 . 1 . . . A 82 GLY C . 18485 1 1048 . 1 1 82 82 GLY CA C 13 45.220 0.30 . 1 . . . A 82 GLY CA . 18485 1 1049 . 1 1 82 82 GLY N N 15 100.310 0.30 . 1 . . . A 82 GLY N . 18485 1 1050 . 1 1 83 83 GLY H H 1 7.401 0.02 . 1 . . . A 83 GLY H . 18485 1 1051 . 1 1 83 83 GLY HA2 H 1 3.757 0.02 . 2 . . . A 83 GLY HA2 . 18485 1 1052 . 1 1 83 83 GLY HA3 H 1 4.816 0.02 . 2 . . . A 83 GLY HA3 . 18485 1 1053 . 1 1 83 83 GLY C C 13 173.758 0.30 . 1 . . . A 83 GLY C . 18485 1 1054 . 1 1 83 83 GLY CA C 13 43.823 0.30 . 1 . . . A 83 GLY CA . 18485 1 1055 . 1 1 83 83 GLY N N 15 104.342 0.30 . 1 . . . A 83 GLY N . 18485 1 1056 . 1 1 84 84 LEU H H 1 8.807 0.02 . 1 . . . A 84 LEU H . 18485 1 1057 . 1 1 84 84 LEU HA H 1 3.781 0.02 . 1 . . . A 84 LEU HA . 18485 1 1058 . 1 1 84 84 LEU HB2 H 1 1.879 0.02 . 2 . . . A 84 LEU HB2 . 18485 1 1059 . 1 1 84 84 LEU HB3 H 1 1.301 0.02 . 2 . . . A 84 LEU HB3 . 18485 1 1060 . 1 1 84 84 LEU HG H 1 1.721 0.02 . 1 . . . A 84 LEU HG . 18485 1 1061 . 1 1 84 84 LEU HD11 H 1 1.103 0.02 . 2 . . . A 84 LEU HD11 . 18485 1 1062 . 1 1 84 84 LEU HD12 H 1 1.103 0.02 . 2 . . . A 84 LEU HD12 . 18485 1 1063 . 1 1 84 84 LEU HD13 H 1 1.103 0.02 . 2 . . . A 84 LEU HD13 . 18485 1 1064 . 1 1 84 84 LEU HD21 H 1 0.874 0.02 . 2 . . . A 84 LEU HD21 . 18485 1 1065 . 1 1 84 84 LEU HD22 H 1 0.874 0.02 . 2 . . . A 84 LEU HD22 . 18485 1 1066 . 1 1 84 84 LEU HD23 H 1 0.874 0.02 . 2 . . . A 84 LEU HD23 . 18485 1 1067 . 1 1 84 84 LEU C C 13 178.245 0.30 . 1 . . . A 84 LEU C . 18485 1 1068 . 1 1 84 84 LEU CA C 13 58.254 0.30 . 1 . . . A 84 LEU CA . 18485 1 1069 . 1 1 84 84 LEU CB C 13 42.602 0.30 . 1 . . . A 84 LEU CB . 18485 1 1070 . 1 1 84 84 LEU CG C 13 26.958 0.30 . 1 . . . A 84 LEU CG . 18485 1 1071 . 1 1 84 84 LEU CD1 C 13 26.178 0.30 . 2 . . . A 84 LEU CD1 . 18485 1 1072 . 1 1 84 84 LEU CD2 C 13 22.728 0.30 . 2 . . . A 84 LEU CD2 . 18485 1 1073 . 1 1 84 84 LEU N N 15 118.350 0.30 . 1 . . . A 84 LEU N . 18485 1 1074 . 1 1 85 85 ASP H H 1 8.697 0.02 . 1 . . . A 85 ASP H . 18485 1 1075 . 1 1 85 85 ASP HA H 1 4.266 0.02 . 1 . . . A 85 ASP HA . 18485 1 1076 . 1 1 85 85 ASP HB2 H 1 2.669 0.02 . 2 . . . A 85 ASP HB2 . 18485 1 1077 . 1 1 85 85 ASP HB3 H 1 2.610 0.02 . 2 . . . A 85 ASP HB3 . 18485 1 1078 . 1 1 85 85 ASP C C 13 178.296 0.30 . 1 . . . A 85 ASP C . 18485 1 1079 . 1 1 85 85 ASP CA C 13 57.612 0.30 . 1 . . . A 85 ASP CA . 18485 1 1080 . 1 1 85 85 ASP CB C 13 39.499 0.30 . 1 . . . A 85 ASP CB . 18485 1 1081 . 1 1 85 85 ASP N N 15 118.373 0.30 . 1 . . . A 85 ASP N . 18485 1 1082 . 1 1 86 86 ILE H H 1 7.605 0.02 . 1 . . . A 86 ILE H . 18485 1 1083 . 1 1 86 86 ILE HA H 1 3.846 0.02 . 1 . . . A 86 ILE HA . 18485 1 1084 . 1 1 86 86 ILE HB H 1 1.706 0.02 . 1 . . . A 86 ILE HB . 18485 1 1085 . 1 1 86 86 ILE HG12 H 1 1.314 0.02 . 2 . . . A 86 ILE HG12 . 18485 1 1086 . 1 1 86 86 ILE HG13 H 1 1.500 0.02 . 2 . . . A 86 ILE HG13 . 18485 1 1087 . 1 1 86 86 ILE HG21 H 1 0.851 0.02 . 1 . . . A 86 ILE HG21 . 18485 1 1088 . 1 1 86 86 ILE HG22 H 1 0.851 0.02 . 1 . . . A 86 ILE HG22 . 18485 1 1089 . 1 1 86 86 ILE HG23 H 1 0.851 0.02 . 1 . . . A 86 ILE HG23 . 18485 1 1090 . 1 1 86 86 ILE HD11 H 1 0.822 0.02 . 1 . . . A 86 ILE HD11 . 18485 1 1091 . 1 1 86 86 ILE HD12 H 1 0.822 0.02 . 1 . . . A 86 ILE HD12 . 18485 1 1092 . 1 1 86 86 ILE HD13 H 1 0.822 0.02 . 1 . . . A 86 ILE HD13 . 18485 1 1093 . 1 1 86 86 ILE C C 13 177.657 0.30 . 1 . . . A 86 ILE C . 18485 1 1094 . 1 1 86 86 ILE CA C 13 62.858 0.30 . 1 . . . A 86 ILE CA . 18485 1 1095 . 1 1 86 86 ILE CB C 13 37.513 0.30 . 1 . . . A 86 ILE CB . 18485 1 1096 . 1 1 86 86 ILE CG1 C 13 28.757 0.30 . 1 . . . A 86 ILE CG1 . 18485 1 1097 . 1 1 86 86 ILE CG2 C 13 17.947 0.30 . 1 . . . A 86 ILE CG2 . 18485 1 1098 . 1 1 86 86 ILE CD1 C 13 11.679 0.30 . 1 . . . A 86 ILE CD1 . 18485 1 1099 . 1 1 86 86 ILE N N 15 120.495 0.30 . 1 . . . A 86 ILE N . 18485 1 1100 . 1 1 87 87 VAL H H 1 7.934 0.02 . 1 . . . A 87 VAL H . 18485 1 1101 . 1 1 87 87 VAL HA H 1 3.307 0.02 . 1 . . . A 87 VAL HA . 18485 1 1102 . 1 1 87 87 VAL HB H 1 1.953 0.02 . 1 . . . A 87 VAL HB . 18485 1 1103 . 1 1 87 87 VAL HG11 H 1 0.784 0.02 . 2 . . . A 87 VAL HG11 . 18485 1 1104 . 1 1 87 87 VAL HG12 H 1 0.784 0.02 . 2 . . . A 87 VAL HG12 . 18485 1 1105 . 1 1 87 87 VAL HG13 H 1 0.784 0.02 . 2 . . . A 87 VAL HG13 . 18485 1 1106 . 1 1 87 87 VAL HG21 H 1 0.716 0.02 . 2 . . . A 87 VAL HG21 . 18485 1 1107 . 1 1 87 87 VAL HG22 H 1 0.716 0.02 . 2 . . . A 87 VAL HG22 . 18485 1 1108 . 1 1 87 87 VAL HG23 H 1 0.716 0.02 . 2 . . . A 87 VAL HG23 . 18485 1 1109 . 1 1 87 87 VAL C C 13 177.629 0.30 . 1 . . . A 87 VAL C . 18485 1 1110 . 1 1 87 87 VAL CA C 13 67.711 0.30 . 1 . . . A 87 VAL CA . 18485 1 1111 . 1 1 87 87 VAL CB C 13 31.665 0.30 . 1 . . . A 87 VAL CB . 18485 1 1112 . 1 1 87 87 VAL CG1 C 13 20.919 0.30 . 2 . . . A 87 VAL CG1 . 18485 1 1113 . 1 1 87 87 VAL CG2 C 13 24.662 0.30 . 2 . . . A 87 VAL CG2 . 18485 1 1114 . 1 1 87 87 VAL N N 15 120.596 0.30 . 1 . . . A 87 VAL N . 18485 1 1115 . 1 1 88 88 THR H H 1 8.719 0.02 . 1 . . . A 88 THR H . 18485 1 1116 . 1 1 88 88 THR HA H 1 3.822 0.02 . 1 . . . A 88 THR HA . 18485 1 1117 . 1 1 88 88 THR HB H 1 4.281 0.02 . 1 . . . A 88 THR HB . 18485 1 1118 . 1 1 88 88 THR HG21 H 1 1.226 0.02 . 1 . . . A 88 THR HG21 . 18485 1 1119 . 1 1 88 88 THR HG22 H 1 1.226 0.02 . 1 . . . A 88 THR HG22 . 18485 1 1120 . 1 1 88 88 THR HG23 H 1 1.226 0.02 . 1 . . . A 88 THR HG23 . 18485 1 1121 . 1 1 88 88 THR C C 13 176.896 0.30 . 1 . . . A 88 THR C . 18485 1 1122 . 1 1 88 88 THR CA C 13 66.898 0.30 . 1 . . . A 88 THR CA . 18485 1 1123 . 1 1 88 88 THR CB C 13 68.370 0.30 . 1 . . . A 88 THR CB . 18485 1 1124 . 1 1 88 88 THR CG2 C 13 21.444 0.30 . 1 . . . A 88 THR CG2 . 18485 1 1125 . 1 1 88 88 THR N N 15 112.971 0.30 . 1 . . . A 88 THR N . 18485 1 1126 . 1 1 89 89 LYS H H 1 7.568 0.02 . 1 . . . A 89 LYS H . 18485 1 1127 . 1 1 89 89 LYS HA H 1 4.149 0.02 . 1 . . . A 89 LYS HA . 18485 1 1128 . 1 1 89 89 LYS HB2 H 1 1.972 0.02 . 2 . . . A 89 LYS HB2 . 18485 1 1129 . 1 1 89 89 LYS HB3 H 1 1.972 0.02 . 2 . . . A 89 LYS HB3 . 18485 1 1130 . 1 1 89 89 LYS HG2 H 1 1.461 0.02 . 2 . . . A 89 LYS HG2 . 18485 1 1131 . 1 1 89 89 LYS HG3 H 1 1.594 0.02 . 2 . . . A 89 LYS HG3 . 18485 1 1132 . 1 1 89 89 LYS HD2 H 1 1.667 0.02 . 2 . . . A 89 LYS HD2 . 18485 1 1133 . 1 1 89 89 LYS HD3 H 1 1.592 0.02 . 2 . . . A 89 LYS HD3 . 18485 1 1134 . 1 1 89 89 LYS HE2 H 1 2.963 0.02 . 2 . . . A 89 LYS HE2 . 18485 1 1135 . 1 1 89 89 LYS HE3 H 1 2.963 0.02 . 2 . . . A 89 LYS HE3 . 18485 1 1136 . 1 1 89 89 LYS C C 13 179.648 0.30 . 1 . . . A 89 LYS C . 18485 1 1137 . 1 1 89 89 LYS CA C 13 59.626 0.30 . 1 . . . A 89 LYS CA . 18485 1 1138 . 1 1 89 89 LYS CB C 13 32.088 0.30 . 1 . . . A 89 LYS CB . 18485 1 1139 . 1 1 89 89 LYS CG C 13 25.048 0.30 . 1 . . . A 89 LYS CG . 18485 1 1140 . 1 1 89 89 LYS CD C 13 29.251 0.30 . 1 . . . A 89 LYS CD . 18485 1 1141 . 1 1 89 89 LYS CE C 13 42.100 0.30 . 1 . . . A 89 LYS CE . 18485 1 1142 . 1 1 89 89 LYS N N 15 123.633 0.30 . 1 . . . A 89 LYS N . 18485 1 1143 . 1 1 90 90 MET H H 1 8.520 0.02 . 1 . . . A 90 MET H . 18485 1 1144 . 1 1 90 90 MET HA H 1 4.333 0.02 . 1 . . . A 90 MET HA . 18485 1 1145 . 1 1 90 90 MET HB2 H 1 2.058 0.02 . 2 . . . A 90 MET HB2 . 18485 1 1146 . 1 1 90 90 MET HB3 H 1 1.927 0.02 . 2 . . . A 90 MET HB3 . 18485 1 1147 . 1 1 90 90 MET HG2 H 1 2.393 0.02 . 2 . . . A 90 MET HG2 . 18485 1 1148 . 1 1 90 90 MET HG3 H 1 2.881 0.02 . 2 . . . A 90 MET HG3 . 18485 1 1149 . 1 1 90 90 MET HE1 H 1 1.891 0.02 . 1 . . . A 90 MET HE1 . 18485 1 1150 . 1 1 90 90 MET HE2 H 1 1.891 0.02 . 1 . . . A 90 MET HE2 . 18485 1 1151 . 1 1 90 90 MET HE3 H 1 1.891 0.02 . 1 . . . A 90 MET HE3 . 18485 1 1152 . 1 1 90 90 MET C C 13 179.634 0.30 . 1 . . . A 90 MET C . 18485 1 1153 . 1 1 90 90 MET CA C 13 58.590 0.30 . 1 . . . A 90 MET CA . 18485 1 1154 . 1 1 90 90 MET CB C 13 34.033 0.30 . 1 . . . A 90 MET CB . 18485 1 1155 . 1 1 90 90 MET CG C 13 32.236 0.30 . 1 . . . A 90 MET CG . 18485 1 1156 . 1 1 90 90 MET CE C 13 16.386 0.30 . 1 . . . A 90 MET CE . 18485 1 1157 . 1 1 90 90 MET N N 15 118.147 0.30 . 1 . . . A 90 MET N . 18485 1 1158 . 1 1 91 91 LEU H H 1 8.792 0.02 . 1 . . . A 91 LEU H . 18485 1 1159 . 1 1 91 91 LEU HA H 1 4.200 0.02 . 1 . . . A 91 LEU HA . 18485 1 1160 . 1 1 91 91 LEU HB2 H 1 2.193 0.02 . 2 . . . A 91 LEU HB2 . 18485 1 1161 . 1 1 91 91 LEU HB3 H 1 1.573 0.02 . 2 . . . A 91 LEU HB3 . 18485 1 1162 . 1 1 91 91 LEU HG H 1 1.583 0.02 . 1 . . . A 91 LEU HG . 18485 1 1163 . 1 1 91 91 LEU HD11 H 1 0.974 0.02 . 2 . . . A 91 LEU HD11 . 18485 1 1164 . 1 1 91 91 LEU HD12 H 1 0.974 0.02 . 2 . . . A 91 LEU HD12 . 18485 1 1165 . 1 1 91 91 LEU HD13 H 1 0.974 0.02 . 2 . . . A 91 LEU HD13 . 18485 1 1166 . 1 1 91 91 LEU HD21 H 1 0.945 0.02 . 2 . . . A 91 LEU HD21 . 18485 1 1167 . 1 1 91 91 LEU HD22 H 1 0.945 0.02 . 2 . . . A 91 LEU HD22 . 18485 1 1168 . 1 1 91 91 LEU HD23 H 1 0.945 0.02 . 2 . . . A 91 LEU HD23 . 18485 1 1169 . 1 1 91 91 LEU C C 13 179.696 0.30 . 1 . . . A 91 LEU C . 18485 1 1170 . 1 1 91 91 LEU CA C 13 58.081 0.30 . 1 . . . A 91 LEU CA . 18485 1 1171 . 1 1 91 91 LEU CB C 13 41.861 0.30 . 1 . . . A 91 LEU CB . 18485 1 1172 . 1 1 91 91 LEU CG C 13 27.096 0.30 . 1 . . . A 91 LEU CG . 18485 1 1173 . 1 1 91 91 LEU CD1 C 13 25.907 0.30 . 2 . . . A 91 LEU CD1 . 18485 1 1174 . 1 1 91 91 LEU CD2 C 13 23.573 0.30 . 2 . . . A 91 LEU CD2 . 18485 1 1175 . 1 1 91 91 LEU N N 15 124.789 0.30 . 1 . . . A 91 LEU N . 18485 1 1176 . 1 1 92 92 GLU H H 1 7.999 0.02 . 1 . . . A 92 GLU H . 18485 1 1177 . 1 1 92 92 GLU HA H 1 4.017 0.02 . 1 . . . A 92 GLU HA . 18485 1 1178 . 1 1 92 92 GLU HB2 H 1 2.136 0.02 . 2 . . . A 92 GLU HB2 . 18485 1 1179 . 1 1 92 92 GLU HB3 H 1 2.136 0.02 . 2 . . . A 92 GLU HB3 . 18485 1 1180 . 1 1 92 92 GLU HG2 H 1 2.290 0.02 . 2 . . . A 92 GLU HG2 . 18485 1 1181 . 1 1 92 92 GLU HG3 H 1 2.485 0.02 . 2 . . . A 92 GLU HG3 . 18485 1 1182 . 1 1 92 92 GLU C C 13 178.352 0.30 . 1 . . . A 92 GLU C . 18485 1 1183 . 1 1 92 92 GLU CA C 13 59.078 0.30 . 1 . . . A 92 GLU CA . 18485 1 1184 . 1 1 92 92 GLU CB C 13 29.691 0.30 . 1 . . . A 92 GLU CB . 18485 1 1185 . 1 1 92 92 GLU CG C 13 36.268 0.30 . 1 . . . A 92 GLU CG . 18485 1 1186 . 1 1 92 92 GLU N N 15 118.965 0.30 . 1 . . . A 92 GLU N . 18485 1 1187 . 1 1 93 93 SER H H 1 8.270 0.02 . 1 . . . A 93 SER H . 18485 1 1188 . 1 1 93 93 SER HA H 1 4.406 0.02 . 1 . . . A 93 SER HA . 18485 1 1189 . 1 1 93 93 SER HB2 H 1 4.139 0.02 . 2 . . . A 93 SER HB2 . 18485 1 1190 . 1 1 93 93 SER HB3 H 1 3.951 0.02 . 2 . . . A 93 SER HB3 . 18485 1 1191 . 1 1 93 93 SER C C 13 175.948 0.30 . 1 . . . A 93 SER C . 18485 1 1192 . 1 1 93 93 SER CA C 13 59.192 0.30 . 1 . . . A 93 SER CA . 18485 1 1193 . 1 1 93 93 SER CB C 13 64.227 0.30 . 1 . . . A 93 SER CB . 18485 1 1194 . 1 1 93 93 SER N N 15 111.381 0.30 . 1 . . . A 93 SER N . 18485 1 1195 . 1 1 94 94 GLY H H 1 7.406 0.02 . 1 . . . A 94 GLY H . 18485 1 1196 . 1 1 94 94 GLY HA2 H 1 4.591 0.02 . 2 . . . A 94 GLY HA2 . 18485 1 1197 . 1 1 94 94 GLY HA3 H 1 4.062 0.02 . 2 . . . A 94 GLY HA3 . 18485 1 1198 . 1 1 94 94 GLY C C 13 174.906 0.30 . 1 . . . A 94 GLY C . 18485 1 1199 . 1 1 94 94 GLY CA C 13 45.383 0.30 . 1 . . . A 94 GLY CA . 18485 1 1200 . 1 1 94 94 GLY N N 15 109.172 0.30 . 1 . . . A 94 GLY N . 18485 1 1201 . 1 1 95 95 ASP H H 1 8.337 0.02 . 1 . . . A 95 ASP H . 18485 1 1202 . 1 1 95 95 ASP HA H 1 4.479 0.02 . 1 . . . A 95 ASP HA . 18485 1 1203 . 1 1 95 95 ASP HB2 H 1 2.348 0.02 . 2 . . . A 95 ASP HB2 . 18485 1 1204 . 1 1 95 95 ASP HB3 H 1 2.643 0.02 . 2 . . . A 95 ASP HB3 . 18485 1 1205 . 1 1 95 95 ASP C C 13 178.486 0.30 . 1 . . . A 95 ASP C . 18485 1 1206 . 1 1 95 95 ASP CA C 13 57.251 0.30 . 1 . . . A 95 ASP CA . 18485 1 1207 . 1 1 95 95 ASP CB C 13 41.370 0.30 . 1 . . . A 95 ASP CB . 18485 1 1208 . 1 1 95 95 ASP N N 15 122.640 0.30 . 1 . . . A 95 ASP N . 18485 1 1209 . 1 1 96 96 LEU H H 1 7.992 0.02 . 1 . . . A 96 LEU H . 18485 1 1210 . 1 1 96 96 LEU HA H 1 4.081 0.02 . 1 . . . A 96 LEU HA . 18485 1 1211 . 1 1 96 96 LEU HB2 H 1 1.132 0.02 . 2 . . . A 96 LEU HB2 . 18485 1 1212 . 1 1 96 96 LEU HB3 H 1 1.839 0.02 . 2 . . . A 96 LEU HB3 . 18485 1 1213 . 1 1 96 96 LEU HG H 1 1.437 0.02 . 1 . . . A 96 LEU HG . 18485 1 1214 . 1 1 96 96 LEU HD11 H 1 0.791 0.02 . 2 . . . A 96 LEU HD11 . 18485 1 1215 . 1 1 96 96 LEU HD12 H 1 0.791 0.02 . 2 . . . A 96 LEU HD12 . 18485 1 1216 . 1 1 96 96 LEU HD13 H 1 0.791 0.02 . 2 . . . A 96 LEU HD13 . 18485 1 1217 . 1 1 96 96 LEU HD21 H 1 0.725 0.02 . 2 . . . A 96 LEU HD21 . 18485 1 1218 . 1 1 96 96 LEU HD22 H 1 0.725 0.02 . 2 . . . A 96 LEU HD22 . 18485 1 1219 . 1 1 96 96 LEU HD23 H 1 0.725 0.02 . 2 . . . A 96 LEU HD23 . 18485 1 1220 . 1 1 96 96 LEU C C 13 177.070 0.30 . 1 . . . A 96 LEU C . 18485 1 1221 . 1 1 96 96 LEU CA C 13 57.960 0.30 . 1 . . . A 96 LEU CA . 18485 1 1222 . 1 1 96 96 LEU CB C 13 40.902 0.30 . 1 . . . A 96 LEU CB . 18485 1 1223 . 1 1 96 96 LEU CG C 13 27.275 0.30 . 1 . . . A 96 LEU CG . 18485 1 1224 . 1 1 96 96 LEU CD1 C 13 22.507 0.30 . 2 . . . A 96 LEU CD1 . 18485 1 1225 . 1 1 96 96 LEU CD2 C 13 26.853 0.30 . 2 . . . A 96 LEU CD2 . 18485 1 1226 . 1 1 96 96 LEU N N 15 122.329 0.30 . 1 . . . A 96 LEU N . 18485 1 1227 . 1 1 97 97 LYS H H 1 8.254 0.02 . 1 . . . A 97 LYS H . 18485 1 1228 . 1 1 97 97 LYS HA H 1 3.921 0.02 . 1 . . . A 97 LYS HA . 18485 1 1229 . 1 1 97 97 LYS HB2 H 1 1.794 0.02 . 2 . . . A 97 LYS HB2 . 18485 1 1230 . 1 1 97 97 LYS HB3 H 1 1.824 0.02 . 2 . . . A 97 LYS HB3 . 18485 1 1231 . 1 1 97 97 LYS HG2 H 1 1.507 0.02 . 2 . . . A 97 LYS HG2 . 18485 1 1232 . 1 1 97 97 LYS HG3 H 1 1.387 0.02 . 2 . . . A 97 LYS HG3 . 18485 1 1233 . 1 1 97 97 LYS HD2 H 1 1.478 0.02 . 2 . . . A 97 LYS HD2 . 18485 1 1234 . 1 1 97 97 LYS HD3 H 1 1.718 0.02 . 2 . . . A 97 LYS HD3 . 18485 1 1235 . 1 1 97 97 LYS HE2 H 1 2.991 0.02 . 2 . . . A 97 LYS HE2 . 18485 1 1236 . 1 1 97 97 LYS HE3 H 1 2.991 0.02 . 2 . . . A 97 LYS HE3 . 18485 1 1237 . 1 1 97 97 LYS C C 13 178.245 0.30 . 1 . . . A 97 LYS C . 18485 1 1238 . 1 1 97 97 LYS CA C 13 60.100 0.30 . 1 . . . A 97 LYS CA . 18485 1 1239 . 1 1 97 97 LYS CB C 13 31.928 0.30 . 1 . . . A 97 LYS CB . 18485 1 1240 . 1 1 97 97 LYS CG C 13 25.643 0.30 . 1 . . . A 97 LYS CG . 18485 1 1241 . 1 1 97 97 LYS CD C 13 29.253 0.30 . 1 . . . A 97 LYS CD . 18485 1 1242 . 1 1 97 97 LYS CE C 13 41.883 0.30 . 1 . . . A 97 LYS CE . 18485 1 1243 . 1 1 97 97 LYS N N 15 118.159 0.30 . 1 . . . A 97 LYS N . 18485 1 1244 . 1 1 98 98 LYS H H 1 7.388 0.02 . 1 . . . A 98 LYS H . 18485 1 1245 . 1 1 98 98 LYS HA H 1 3.937 0.02 . 1 . . . A 98 LYS HA . 18485 1 1246 . 1 1 98 98 LYS HB2 H 1 1.855 0.02 . 2 . . . A 98 LYS HB2 . 18485 1 1247 . 1 1 98 98 LYS HB3 H 1 1.899 0.02 . 2 . . . A 98 LYS HB3 . 18485 1 1248 . 1 1 98 98 LYS HG2 H 1 1.401 0.02 . 2 . . . A 98 LYS HG2 . 18485 1 1249 . 1 1 98 98 LYS HG3 H 1 1.545 0.02 . 2 . . . A 98 LYS HG3 . 18485 1 1250 . 1 1 98 98 LYS HD2 H 1 1.672 0.02 . 2 . . . A 98 LYS HD2 . 18485 1 1251 . 1 1 98 98 LYS HD3 H 1 1.672 0.02 . 2 . . . A 98 LYS HD3 . 18485 1 1252 . 1 1 98 98 LYS HE2 H 1 3.006 0.02 . 2 . . . A 98 LYS HE2 . 18485 1 1253 . 1 1 98 98 LYS HE3 H 1 3.006 0.02 . 2 . . . A 98 LYS HE3 . 18485 1 1254 . 1 1 98 98 LYS C C 13 177.471 0.30 . 1 . . . A 98 LYS C . 18485 1 1255 . 1 1 98 98 LYS CA C 13 59.930 0.30 . 1 . . . A 98 LYS CA . 18485 1 1256 . 1 1 98 98 LYS CB C 13 32.740 0.30 . 1 . . . A 98 LYS CB . 18485 1 1257 . 1 1 98 98 LYS CG C 13 25.165 0.30 . 1 . . . A 98 LYS CG . 18485 1 1258 . 1 1 98 98 LYS CD C 13 29.202 0.30 . 1 . . . A 98 LYS CD . 18485 1 1259 . 1 1 98 98 LYS CE C 13 42.137 0.30 . 1 . . . A 98 LYS CE . 18485 1 1260 . 1 1 98 98 LYS N N 15 117.677 0.30 . 1 . . . A 98 LYS N . 18485 1 1261 . 1 1 99 99 MET H H 1 7.934 0.02 . 1 . . . A 99 MET H . 18485 1 1262 . 1 1 99 99 MET HA H 1 4.138 0.02 . 1 . . . A 99 MET HA . 18485 1 1263 . 1 1 99 99 MET HB2 H 1 2.250 0.02 . 2 . . . A 99 MET HB2 . 18485 1 1264 . 1 1 99 99 MET HB3 H 1 2.135 0.02 . 2 . . . A 99 MET HB3 . 18485 1 1265 . 1 1 99 99 MET HG2 H 1 2.646 0.02 . 2 . . . A 99 MET HG2 . 18485 1 1266 . 1 1 99 99 MET HG3 H 1 2.256 0.02 . 2 . . . A 99 MET HG3 . 18485 1 1267 . 1 1 99 99 MET HE1 H 1 1.989 0.02 . 1 . . . A 99 MET HE1 . 18485 1 1268 . 1 1 99 99 MET HE2 H 1 1.989 0.02 . 1 . . . A 99 MET HE2 . 18485 1 1269 . 1 1 99 99 MET HE3 H 1 1.989 0.02 . 1 . . . A 99 MET HE3 . 18485 1 1270 . 1 1 99 99 MET C C 13 178.018 0.30 . 1 . . . A 99 MET C . 18485 1 1271 . 1 1 99 99 MET CA C 13 59.151 0.30 . 1 . . . A 99 MET CA . 18485 1 1272 . 1 1 99 99 MET CB C 13 32.550 0.30 . 1 . . . A 99 MET CB . 18485 1 1273 . 1 1 99 99 MET CG C 13 31.835 0.30 . 1 . . . A 99 MET CG . 18485 1 1274 . 1 1 99 99 MET CE C 13 17.364 0.30 . 1 . . . A 99 MET CE . 18485 1 1275 . 1 1 99 99 MET N N 15 119.426 0.30 . 1 . . . A 99 MET N . 18485 1 1276 . 1 1 100 100 LEU H H 1 8.131 0.02 . 1 . . . A 100 LEU H . 18485 1 1277 . 1 1 100 100 LEU HA H 1 3.791 0.02 . 1 . . . A 100 LEU HA . 18485 1 1278 . 1 1 100 100 LEU HB2 H 1 1.997 0.02 . 2 . . . A 100 LEU HB2 . 18485 1 1279 . 1 1 100 100 LEU HB3 H 1 1.414 0.02 . 2 . . . A 100 LEU HB3 . 18485 1 1280 . 1 1 100 100 LEU HG H 1 1.907 0.02 . 1 . . . A 100 LEU HG . 18485 1 1281 . 1 1 100 100 LEU HD11 H 1 0.853 0.02 . 2 . . . A 100 LEU HD11 . 18485 1 1282 . 1 1 100 100 LEU HD12 H 1 0.853 0.02 . 2 . . . A 100 LEU HD12 . 18485 1 1283 . 1 1 100 100 LEU HD13 H 1 0.853 0.02 . 2 . . . A 100 LEU HD13 . 18485 1 1284 . 1 1 100 100 LEU HD21 H 1 0.797 0.02 . 2 . . . A 100 LEU HD21 . 18485 1 1285 . 1 1 100 100 LEU HD22 H 1 0.797 0.02 . 2 . . . A 100 LEU HD22 . 18485 1 1286 . 1 1 100 100 LEU HD23 H 1 0.797 0.02 . 2 . . . A 100 LEU HD23 . 18485 1 1287 . 1 1 100 100 LEU C C 13 178.592 0.30 . 1 . . . A 100 LEU C . 18485 1 1288 . 1 1 100 100 LEU CA C 13 58.602 0.30 . 1 . . . A 100 LEU CA . 18485 1 1289 . 1 1 100 100 LEU CB C 13 40.700 0.30 . 1 . . . A 100 LEU CB . 18485 1 1290 . 1 1 100 100 LEU CG C 13 26.888 0.30 . 1 . . . A 100 LEU CG . 18485 1 1291 . 1 1 100 100 LEU CD1 C 13 27.512 0.30 . 2 . . . A 100 LEU CD1 . 18485 1 1292 . 1 1 100 100 LEU CD2 C 13 23.838 0.30 . 2 . . . A 100 LEU CD2 . 18485 1 1293 . 1 1 100 100 LEU N N 15 118.006 0.30 . 1 . . . A 100 LEU N . 18485 1 1294 . 1 1 101 101 ARG H H 1 8.045 0.02 . 1 . . . A 101 ARG H . 18485 1 1295 . 1 1 101 101 ARG HA H 1 4.126 0.02 . 1 . . . A 101 ARG HA . 18485 1 1296 . 1 1 101 101 ARG HB2 H 1 1.978 0.02 . 2 . . . A 101 ARG HB2 . 18485 1 1297 . 1 1 101 101 ARG HB3 H 1 1.942 0.02 . 2 . . . A 101 ARG HB3 . 18485 1 1298 . 1 1 101 101 ARG HG2 H 1 1.843 0.02 . 2 . . . A 101 ARG HG2 . 18485 1 1299 . 1 1 101 101 ARG HG3 H 1 1.666 0.02 . 2 . . . A 101 ARG HG3 . 18485 1 1300 . 1 1 101 101 ARG HD2 H 1 3.210 0.02 . 2 . . . A 101 ARG HD2 . 18485 1 1301 . 1 1 101 101 ARG HD3 H 1 3.210 0.02 . 2 . . . A 101 ARG HD3 . 18485 1 1302 . 1 1 101 101 ARG C C 13 181.117 0.30 . 1 . . . A 101 ARG C . 18485 1 1303 . 1 1 101 101 ARG CA C 13 59.277 0.30 . 1 . . . A 101 ARG CA . 18485 1 1304 . 1 1 101 101 ARG CB C 13 29.792 0.30 . 1 . . . A 101 ARG CB . 18485 1 1305 . 1 1 101 101 ARG CG C 13 27.420 0.30 . 1 . . . A 101 ARG CG . 18485 1 1306 . 1 1 101 101 ARG CD C 13 43.416 0.30 . 1 . . . A 101 ARG CD . 18485 1 1307 . 1 1 101 101 ARG N N 15 118.551 0.30 . 1 . . . A 101 ARG N . 18485 1 1308 . 1 1 102 102 ASP H H 1 8.828 0.02 . 1 . . . A 102 ASP H . 18485 1 1309 . 1 1 102 102 ASP HA H 1 4.405 0.02 . 1 . . . A 102 ASP HA . 18485 1 1310 . 1 1 102 102 ASP HB2 H 1 2.916 0.02 . 2 . . . A 102 ASP HB2 . 18485 1 1311 . 1 1 102 102 ASP HB3 H 1 2.699 0.02 . 2 . . . A 102 ASP HB3 . 18485 1 1312 . 1 1 102 102 ASP C C 13 178.405 0.30 . 1 . . . A 102 ASP C . 18485 1 1313 . 1 1 102 102 ASP CA C 13 57.302 0.30 . 1 . . . A 102 ASP CA . 18485 1 1314 . 1 1 102 102 ASP CB C 13 40.313 0.30 . 1 . . . A 102 ASP CB . 18485 1 1315 . 1 1 102 102 ASP N N 15 122.544 0.30 . 1 . . . A 102 ASP N . 18485 1 1316 . 1 1 103 103 LYS H H 1 7.847 0.02 . 1 . . . A 103 LYS H . 18485 1 1317 . 1 1 103 103 LYS HA H 1 4.396 0.02 . 1 . . . A 103 LYS HA . 18485 1 1318 . 1 1 103 103 LYS HB2 H 1 1.846 0.02 . 2 . . . A 103 LYS HB2 . 18485 1 1319 . 1 1 103 103 LYS HB3 H 1 2.020 0.02 . 2 . . . A 103 LYS HB3 . 18485 1 1320 . 1 1 103 103 LYS HG2 H 1 0.897 0.02 . 2 . . . A 103 LYS HG2 . 18485 1 1321 . 1 1 103 103 LYS HG3 H 1 0.897 0.02 . 2 . . . A 103 LYS HG3 . 18485 1 1322 . 1 1 103 103 LYS HD2 H 1 1.674 0.02 . 2 . . . A 103 LYS HD2 . 18485 1 1323 . 1 1 103 103 LYS HD3 H 1 1.476 0.02 . 2 . . . A 103 LYS HD3 . 18485 1 1324 . 1 1 103 103 LYS HE2 H 1 2.975 0.02 . 2 . . . A 103 LYS HE2 . 18485 1 1325 . 1 1 103 103 LYS HE3 H 1 2.975 0.02 . 2 . . . A 103 LYS HE3 . 18485 1 1326 . 1 1 103 103 LYS C C 13 176.282 0.30 . 1 . . . A 103 LYS C . 18485 1 1327 . 1 1 103 103 LYS CA C 13 55.324 0.30 . 1 . . . A 103 LYS CA . 18485 1 1328 . 1 1 103 103 LYS CB C 13 32.715 0.30 . 1 . . . A 103 LYS CB . 18485 1 1329 . 1 1 103 103 LYS CG C 13 25.193 0.30 . 1 . . . A 103 LYS CG . 18485 1 1330 . 1 1 103 103 LYS CD C 13 29.189 0.30 . 1 . . . A 103 LYS CD . 18485 1 1331 . 1 1 103 103 LYS CE C 13 42.221 0.30 . 1 . . . A 103 LYS CE . 18485 1 1332 . 1 1 103 103 LYS N N 15 116.177 0.30 . 1 . . . A 103 LYS N . 18485 1 1333 . 1 1 104 104 GLY H H 1 7.930 0.02 . 1 . . . A 104 GLY H . 18485 1 1334 . 1 1 104 104 GLY HA2 H 1 3.841 0.02 . 2 . . . A 104 GLY HA2 . 18485 1 1335 . 1 1 104 104 GLY HA3 H 1 4.015 0.02 . 2 . . . A 104 GLY HA3 . 18485 1 1336 . 1 1 104 104 GLY C C 13 174.450 0.30 . 1 . . . A 104 GLY C . 18485 1 1337 . 1 1 104 104 GLY CA C 13 46.323 0.30 . 1 . . . A 104 GLY CA . 18485 1 1338 . 1 1 104 104 GLY N N 15 108.597 0.30 . 1 . . . A 104 GLY N . 18485 1 1339 . 1 1 105 105 ILE H H 1 8.323 0.02 . 1 . . . A 105 ILE H . 18485 1 1340 . 1 1 105 105 ILE HA H 1 4.109 0.02 . 1 . . . A 105 ILE HA . 18485 1 1341 . 1 1 105 105 ILE HB H 1 1.648 0.02 . 1 . . . A 105 ILE HB . 18485 1 1342 . 1 1 105 105 ILE HG12 H 1 1.422 0.02 . 2 . . . A 105 ILE HG12 . 18485 1 1343 . 1 1 105 105 ILE HG13 H 1 1.011 0.02 . 2 . . . A 105 ILE HG13 . 18485 1 1344 . 1 1 105 105 ILE HG21 H 1 0.913 0.02 . 1 . . . A 105 ILE HG21 . 18485 1 1345 . 1 1 105 105 ILE HG22 H 1 0.913 0.02 . 1 . . . A 105 ILE HG22 . 18485 1 1346 . 1 1 105 105 ILE HG23 H 1 0.913 0.02 . 1 . . . A 105 ILE HG23 . 18485 1 1347 . 1 1 105 105 ILE HD11 H 1 0.834 0.02 . 1 . . . A 105 ILE HD11 . 18485 1 1348 . 1 1 105 105 ILE HD12 H 1 0.834 0.02 . 1 . . . A 105 ILE HD12 . 18485 1 1349 . 1 1 105 105 ILE HD13 H 1 0.834 0.02 . 1 . . . A 105 ILE HD13 . 18485 1 1350 . 1 1 105 105 ILE C C 13 175.374 0.30 . 1 . . . A 105 ILE C . 18485 1 1351 . 1 1 105 105 ILE CA C 13 60.643 0.30 . 1 . . . A 105 ILE CA . 18485 1 1352 . 1 1 105 105 ILE CB C 13 38.688 0.30 . 1 . . . A 105 ILE CB . 18485 1 1353 . 1 1 105 105 ILE CG1 C 13 27.493 0.30 . 1 . . . A 105 ILE CG1 . 18485 1 1354 . 1 1 105 105 ILE CG2 C 13 17.909 0.30 . 1 . . . A 105 ILE CG2 . 18485 1 1355 . 1 1 105 105 ILE CD1 C 13 15.331 0.30 . 1 . . . A 105 ILE CD1 . 18485 1 1356 . 1 1 105 105 ILE N N 15 123.232 0.30 . 1 . . . A 105 ILE N . 18485 1 1357 . 1 1 106 106 THR H H 1 8.521 0.02 . 1 . . . A 106 THR H . 18485 1 1358 . 1 1 106 106 THR HA H 1 4.155 0.02 . 1 . . . A 106 THR HA . 18485 1 1359 . 1 1 106 106 THR HB H 1 4.097 0.02 . 1 . . . A 106 THR HB . 18485 1 1360 . 1 1 106 106 THR HG21 H 1 1.208 0.02 . 1 . . . A 106 THR HG21 . 18485 1 1361 . 1 1 106 106 THR HG22 H 1 1.208 0.02 . 1 . . . A 106 THR HG22 . 18485 1 1362 . 1 1 106 106 THR HG23 H 1 1.208 0.02 . 1 . . . A 106 THR HG23 . 18485 1 1363 . 1 1 106 106 THR C C 13 173.223 0.30 . 1 . . . A 106 THR C . 18485 1 1364 . 1 1 106 106 THR CA C 13 63.189 0.30 . 1 . . . A 106 THR CA . 18485 1 1365 . 1 1 106 106 THR CB C 13 69.242 0.30 . 1 . . . A 106 THR CB . 18485 1 1366 . 1 1 106 106 THR CG2 C 13 21.650 0.30 . 1 . . . A 106 THR CG2 . 18485 1 1367 . 1 1 106 106 THR N N 15 123.522 0.30 . 1 . . . A 106 THR N . 18485 1 1368 . 1 1 107 107 CYS H H 1 8.247 0.02 . 1 . . . A 107 CYS H . 18485 1 1369 . 1 1 107 107 CYS HA H 1 4.867 0.02 . 1 . . . A 107 CYS HA . 18485 1 1370 . 1 1 107 107 CYS HB2 H 1 3.036 0.02 . 2 . . . A 107 CYS HB2 . 18485 1 1371 . 1 1 107 107 CYS HB3 H 1 2.911 0.02 . 2 . . . A 107 CYS HB3 . 18485 1 1372 . 1 1 107 107 CYS C C 13 173.798 0.30 . 1 . . . A 107 CYS C . 18485 1 1373 . 1 1 107 107 CYS CA C 13 56.552 0.30 . 1 . . . A 107 CYS CA . 18485 1 1374 . 1 1 107 107 CYS CB C 13 30.462 0.30 . 1 . . . A 107 CYS CB . 18485 1 1375 . 1 1 107 107 CYS N N 15 120.688 0.30 . 1 . . . A 107 CYS N . 18485 1 1376 . 1 1 108 108 ARG H H 1 8.512 0.02 . 1 . . . A 108 ARG H . 18485 1 1377 . 1 1 108 108 ARG HA H 1 4.291 0.02 . 1 . . . A 108 ARG HA . 18485 1 1378 . 1 1 108 108 ARG HB2 H 1 1.688 0.02 . 2 . . . A 108 ARG HB2 . 18485 1 1379 . 1 1 108 108 ARG HB3 H 1 1.810 0.02 . 2 . . . A 108 ARG HB3 . 18485 1 1380 . 1 1 108 108 ARG HG2 H 1 1.613 0.02 . 2 . . . A 108 ARG HG2 . 18485 1 1381 . 1 1 108 108 ARG HG3 H 1 1.684 0.02 . 2 . . . A 108 ARG HG3 . 18485 1 1382 . 1 1 108 108 ARG HD2 H 1 3.177 0.02 . 2 . . . A 108 ARG HD2 . 18485 1 1383 . 1 1 108 108 ARG HD3 H 1 3.227 0.02 . 2 . . . A 108 ARG HD3 . 18485 1 1384 . 1 1 108 108 ARG C C 13 175.547 0.30 . 1 . . . A 108 ARG C . 18485 1 1385 . 1 1 108 108 ARG CA C 13 56.300 0.30 . 1 . . . A 108 ARG CA . 18485 1 1386 . 1 1 108 108 ARG CB C 13 31.276 0.30 . 1 . . . A 108 ARG CB . 18485 1 1387 . 1 1 108 108 ARG CG C 13 27.347 0.30 . 1 . . . A 108 ARG CG . 18485 1 1388 . 1 1 108 108 ARG CD C 13 43.416 0.30 . 1 . . . A 108 ARG CD . 18485 1 1389 . 1 1 108 108 ARG N N 15 122.349 0.30 . 1 . . . A 108 ARG N . 18485 1 1390 . 1 1 109 109 ASP H H 1 8.399 0.02 . 1 . . . A 109 ASP H . 18485 1 1391 . 1 1 109 109 ASP HA H 1 4.625 0.02 . 1 . . . A 109 ASP HA . 18485 1 1392 . 1 1 109 109 ASP HB2 H 1 2.538 0.02 . 2 . . . A 109 ASP HB2 . 18485 1 1393 . 1 1 109 109 ASP HB3 H 1 2.760 0.02 . 2 . . . A 109 ASP HB3 . 18485 1 1394 . 1 1 109 109 ASP C C 13 174.973 0.30 . 1 . . . A 109 ASP C . 18485 1 1395 . 1 1 109 109 ASP CA C 13 54.239 0.30 . 1 . . . A 109 ASP CA . 18485 1 1396 . 1 1 109 109 ASP CB C 13 40.956 0.30 . 1 . . . A 109 ASP CB . 18485 1 1397 . 1 1 109 109 ASP N N 15 121.453 0.30 . 1 . . . A 109 ASP N . 18485 1 1398 . 1 1 110 110 LEU H H 1 7.759 0.02 . 1 . . . A 110 LEU H . 18485 1 1399 . 1 1 110 110 LEU HA H 1 4.156 0.02 . 1 . . . A 110 LEU HA . 18485 1 1400 . 1 1 110 110 LEU HB2 H 1 1.572 0.02 . 2 . . . A 110 LEU HB2 . 18485 1 1401 . 1 1 110 110 LEU HB3 H 1 1.572 0.02 . 2 . . . A 110 LEU HB3 . 18485 1 1402 . 1 1 110 110 LEU HG H 1 1.587 0.02 . 1 . . . A 110 LEU HG . 18485 1 1403 . 1 1 110 110 LEU HD11 H 1 0.892 0.02 . 2 . . . A 110 LEU HD11 . 18485 1 1404 . 1 1 110 110 LEU HD12 H 1 0.892 0.02 . 2 . . . A 110 LEU HD12 . 18485 1 1405 . 1 1 110 110 LEU HD13 H 1 0.892 0.02 . 2 . . . A 110 LEU HD13 . 18485 1 1406 . 1 1 110 110 LEU HD21 H 1 0.851 0.02 . 2 . . . A 110 LEU HD21 . 18485 1 1407 . 1 1 110 110 LEU HD22 H 1 0.851 0.02 . 2 . . . A 110 LEU HD22 . 18485 1 1408 . 1 1 110 110 LEU HD23 H 1 0.851 0.02 . 2 . . . A 110 LEU HD23 . 18485 1 1409 . 1 1 110 110 LEU C C 13 182.410 0.30 . 1 . . . A 110 LEU C . 18485 1 1410 . 1 1 110 110 LEU CA C 13 56.779 0.30 . 1 . . . A 110 LEU CA . 18485 1 1411 . 1 1 110 110 LEU CB C 13 43.474 0.30 . 1 . . . A 110 LEU CB . 18485 1 1412 . 1 1 110 110 LEU CG C 13 25.082 0.30 . 1 . . . A 110 LEU CG . 18485 1 1413 . 1 1 110 110 LEU CD1 C 13 25.178 0.30 . 2 . . . A 110 LEU CD1 . 18485 1 1414 . 1 1 110 110 LEU CD2 C 13 23.913 0.30 . 2 . . . A 110 LEU CD2 . 18485 1 1415 . 1 1 110 110 LEU N N 15 128.386 0.30 . 1 . . . A 110 LEU N . 18485 1 stop_ save_