data_19627 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19627 _Entry.Title ; NMR strucutre of the hypothetical protein BACUNI_03114 from Bacteroides uniformis ATCC 8492 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-11-21 _Entry.Accession_date 2013-11-21 _Entry.Last_release_date 2013-12-20 _Entry.Original_release_date 2013-12-20 _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 NMR' _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 Sergey Shnitkind . . . 19627 2 Samit Dutta . K. . 19627 3 Pedro Serrano . . . 19627 4 Michael Geralt . . . 19627 5 Kurt Wuthrich . . . 19627 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 'PSI, Protein Structure Initiative' 'Joint Center for Structural Genomics' . 19627 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Beta barrel' . 19627 'Lipocalin 4' . 19627 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19627 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 380 19627 '15N chemical shifts' 113 19627 '1H chemical shifts' 773 19627 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 1 . . 2013-12-20 2013-11-21 original author . 19627 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MHD 'BMRB Entry Tracking System' 19627 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19627 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR strucutre of the hypothetical protein BACUNI_03114 from Bacteroides uniformis ATCC 8492' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Sergey Shnitkind . . . 19627 1 2 Samit Dutta . K. . 19627 1 3 Pedro Serrano . . . 19627 1 4 Michael Geralt . . . 19627 1 5 Kurt Wuthrich . . . 19627 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19627 _Assembly.ID 1 _Assembly.Name 'hypothetical protein BACUNI_03114 from Bacteroides uniformis ATCC 8492' _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 entity 1 $entity A . yes native no no . . . 19627 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19627 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GDEDDKVEIPQLVGKWIVKE PVLQDDFVTCYTFNADKTYE VYTGSPLSNGVPFRGTYIIS LDEKLIKLYDKEEHCTEQYH ILKLTSKEMKWENASPKDGN SDKRLEKYND ; _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 12814.421 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MHD . "Nmr Structure Of The Protein Bacuni_03114 From Bacteroides Uniformis Atcc 8492" . . . . . 100.00 110 100.00 100.00 8.07e-74 . . . . 19627 1 2 no EMBL CUN47051 . "Uncharacterised protein [Bacteroides uniformis]" . . . . . 99.09 132 100.00 100.00 1.75e-73 . . . . 19627 1 3 no EMBL CUP01591 . "Uncharacterised protein [Bacteroides uniformis]" . . . . . 99.09 132 100.00 100.00 1.75e-73 . . . . 19627 1 4 no EMBL CUQ01617 . "Uncharacterised protein [Bacteroides uniformis]" . . . . . 99.09 132 100.00 100.00 1.75e-73 . . . . 19627 1 5 no GB EDO53099 . "hypothetical protein BACUNI_03114 [Bacteroides uniformis ATCC 8492]" . . . . . 99.09 132 100.00 100.00 1.75e-73 . . . . 19627 1 6 no GB EFA19032 . "hypothetical protein HMPREF0969_02286 [Bacteroides sp. D20]" . . . . . 99.09 132 100.00 100.00 1.75e-73 . . . . 19627 1 7 no GB EFV25840 . "hypothetical protein HMPREF1007_02036 [Bacteroides sp. 4_1_36]" . . . . . 99.09 132 100.00 100.00 1.75e-73 . . . . 19627 1 8 no REF WP_005829739 . "MULTISPECIES: hypothetical protein [Bacteroides]" . . . . . 99.09 132 100.00 100.00 1.75e-73 . . . . 19627 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 1 GLY . 19627 1 2 2 ASP . 19627 1 3 3 GLU . 19627 1 4 4 ASP . 19627 1 5 5 ASP . 19627 1 6 6 LYS . 19627 1 7 7 VAL . 19627 1 8 8 GLU . 19627 1 9 9 ILE . 19627 1 10 10 PRO . 19627 1 11 11 GLN . 19627 1 12 12 LEU . 19627 1 13 13 VAL . 19627 1 14 14 GLY . 19627 1 15 15 LYS . 19627 1 16 16 TRP . 19627 1 17 17 ILE . 19627 1 18 18 VAL . 19627 1 19 19 LYS . 19627 1 20 20 GLU . 19627 1 21 21 PRO . 19627 1 22 22 VAL . 19627 1 23 23 LEU . 19627 1 24 24 GLN . 19627 1 25 25 ASP . 19627 1 26 26 ASP . 19627 1 27 27 PHE . 19627 1 28 28 VAL . 19627 1 29 29 THR . 19627 1 30 30 CYS . 19627 1 31 31 TYR . 19627 1 32 32 THR . 19627 1 33 33 PHE . 19627 1 34 34 ASN . 19627 1 35 35 ALA . 19627 1 36 36 ASP . 19627 1 37 37 LYS . 19627 1 38 38 THR . 19627 1 39 39 TYR . 19627 1 40 40 GLU . 19627 1 41 41 VAL . 19627 1 42 42 TYR . 19627 1 43 43 THR . 19627 1 44 44 GLY . 19627 1 45 45 SER . 19627 1 46 46 PRO . 19627 1 47 47 LEU . 19627 1 48 48 SER . 19627 1 49 49 ASN . 19627 1 50 50 GLY . 19627 1 51 51 VAL . 19627 1 52 52 PRO . 19627 1 53 53 PHE . 19627 1 54 54 ARG . 19627 1 55 55 GLY . 19627 1 56 56 THR . 19627 1 57 57 TYR . 19627 1 58 58 ILE . 19627 1 59 59 ILE . 19627 1 60 60 SER . 19627 1 61 61 LEU . 19627 1 62 62 ASP . 19627 1 63 63 GLU . 19627 1 64 64 LYS . 19627 1 65 65 LEU . 19627 1 66 66 ILE . 19627 1 67 67 LYS . 19627 1 68 68 LEU . 19627 1 69 69 TYR . 19627 1 70 70 ASP . 19627 1 71 71 LYS . 19627 1 72 72 GLU . 19627 1 73 73 GLU . 19627 1 74 74 HIS . 19627 1 75 75 CYS . 19627 1 76 76 THR . 19627 1 77 77 GLU . 19627 1 78 78 GLN . 19627 1 79 79 TYR . 19627 1 80 80 HIS . 19627 1 81 81 ILE . 19627 1 82 82 LEU . 19627 1 83 83 LYS . 19627 1 84 84 LEU . 19627 1 85 85 THR . 19627 1 86 86 SER . 19627 1 87 87 LYS . 19627 1 88 88 GLU . 19627 1 89 89 MET . 19627 1 90 90 LYS . 19627 1 91 91 TRP . 19627 1 92 92 GLU . 19627 1 93 93 ASN . 19627 1 94 94 ALA . 19627 1 95 95 SER . 19627 1 96 96 PRO . 19627 1 97 97 LYS . 19627 1 98 98 ASP . 19627 1 99 99 GLY . 19627 1 100 100 ASN . 19627 1 101 101 SER . 19627 1 102 102 ASP . 19627 1 103 103 LYS . 19627 1 104 104 ARG . 19627 1 105 105 LEU . 19627 1 106 106 GLU . 19627 1 107 107 LYS . 19627 1 108 108 TYR . 19627 1 109 109 ASN . 19627 1 110 110 ASP . 19627 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 19627 1 . ASP 2 2 19627 1 . GLU 3 3 19627 1 . ASP 4 4 19627 1 . ASP 5 5 19627 1 . LYS 6 6 19627 1 . VAL 7 7 19627 1 . GLU 8 8 19627 1 . ILE 9 9 19627 1 . PRO 10 10 19627 1 . GLN 11 11 19627 1 . LEU 12 12 19627 1 . VAL 13 13 19627 1 . GLY 14 14 19627 1 . LYS 15 15 19627 1 . TRP 16 16 19627 1 . ILE 17 17 19627 1 . VAL 18 18 19627 1 . LYS 19 19 19627 1 . GLU 20 20 19627 1 . PRO 21 21 19627 1 . VAL 22 22 19627 1 . LEU 23 23 19627 1 . GLN 24 24 19627 1 . ASP 25 25 19627 1 . ASP 26 26 19627 1 . PHE 27 27 19627 1 . VAL 28 28 19627 1 . THR 29 29 19627 1 . CYS 30 30 19627 1 . TYR 31 31 19627 1 . THR 32 32 19627 1 . PHE 33 33 19627 1 . ASN 34 34 19627 1 . ALA 35 35 19627 1 . ASP 36 36 19627 1 . LYS 37 37 19627 1 . THR 38 38 19627 1 . TYR 39 39 19627 1 . GLU 40 40 19627 1 . VAL 41 41 19627 1 . TYR 42 42 19627 1 . THR 43 43 19627 1 . GLY 44 44 19627 1 . SER 45 45 19627 1 . PRO 46 46 19627 1 . LEU 47 47 19627 1 . SER 48 48 19627 1 . ASN 49 49 19627 1 . GLY 50 50 19627 1 . VAL 51 51 19627 1 . PRO 52 52 19627 1 . PHE 53 53 19627 1 . ARG 54 54 19627 1 . GLY 55 55 19627 1 . THR 56 56 19627 1 . TYR 57 57 19627 1 . ILE 58 58 19627 1 . ILE 59 59 19627 1 . SER 60 60 19627 1 . LEU 61 61 19627 1 . ASP 62 62 19627 1 . GLU 63 63 19627 1 . LYS 64 64 19627 1 . LEU 65 65 19627 1 . ILE 66 66 19627 1 . LYS 67 67 19627 1 . LEU 68 68 19627 1 . TYR 69 69 19627 1 . ASP 70 70 19627 1 . LYS 71 71 19627 1 . GLU 72 72 19627 1 . GLU 73 73 19627 1 . HIS 74 74 19627 1 . CYS 75 75 19627 1 . THR 76 76 19627 1 . GLU 77 77 19627 1 . GLN 78 78 19627 1 . TYR 79 79 19627 1 . HIS 80 80 19627 1 . ILE 81 81 19627 1 . LEU 82 82 19627 1 . LYS 83 83 19627 1 . LEU 84 84 19627 1 . THR 85 85 19627 1 . SER 86 86 19627 1 . LYS 87 87 19627 1 . GLU 88 88 19627 1 . MET 89 89 19627 1 . LYS 90 90 19627 1 . TRP 91 91 19627 1 . GLU 92 92 19627 1 . ASN 93 93 19627 1 . ALA 94 94 19627 1 . SER 95 95 19627 1 . PRO 96 96 19627 1 . LYS 97 97 19627 1 . ASP 98 98 19627 1 . GLY 99 99 19627 1 . ASN 100 100 19627 1 . SER 101 101 19627 1 . ASP 102 102 19627 1 . LYS 103 103 19627 1 . ARG 104 104 19627 1 . LEU 105 105 19627 1 . GLU 106 106 19627 1 . LYS 107 107 19627 1 . TYR 108 108 19627 1 . ASN 109 109 19627 1 . ASP 110 110 19627 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 19627 _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 $entity . 820 organism . 'Bacteroides uniformis' 'CFB group bacteria' . . Bacteria . Bacteroides uniformis . . . . . . . . . . . . . . . . . . . . . 19627 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 19627 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Bl21 . . . . . . . . . . . . . . . SpeedET . . . . . . 19627 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19627 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19627 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19627 1 3 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 19627 1 4 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 1.2 . . mM . . . . 19627 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19627 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19627 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 19627 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.0798 . M 19627 1 pH 6.0 . pH 19627 1 pressure 1 . atm 19627 1 temperature 298 . K 19627 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19627 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 19627 1 'Bruker Biospin' . . 19627 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19627 1 'data analysis' 19627 1 processing 19627 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19627 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19627 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19627 2 'data analysis' 19627 2 'peak picking' 19627 2 stop_ save_ save_j-UNIO _Software.Sf_category software _Software.Sf_framecode j-UNIO _Software.Entry_ID 19627 _Software.ID 3 _Software.Name j-UNIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 19627 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19627 3 'peak picking' 19627 3 'structure solution' 19627 3 stop_ save_ save_OPALp _Software.Sf_category software _Software.Sf_framecode OPALp _Software.Entry_ID 19627 _Software.ID 4 _Software.Name OPALp _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 19627 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19627 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19627 _Software.ID 5 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19627 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19627 5 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 19627 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19627 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19627 _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 . 600 . . . 19627 1 2 spectrometer_2 Bruker Avance . 800 . . . 19627 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 19627 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19627 1 2 '4D HACANH APSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19627 1 3 '5D HACACONH APSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19627 1 4 '5D CBCACONH APSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19627 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19627 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19627 1 7 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19627 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 19627 _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 . . . . . . . . . 19627 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19627 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19627 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 19627 _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 0.006 _Assigned_chem_shift_list.Chem_shift_13C_err 0.160 _Assigned_chem_shift_list.Chem_shift_15N_err 0.102 _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 2 '4D HACANH APSY' . . . 19627 1 3 '5D HACACONH APSY' . . . 19627 1 4 '5D CBCACONH APSY' . . . 19627 1 5 '3D 1H-15N NOESY' . . . 19627 1 6 '3D 1H-13C NOESY aliphatic' . . . 19627 1 7 '3D 1H-13C NOESY aromatic' . . . 19627 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 ASP HA H 1 4.520 0.006 . 1 . . . A 2 ASP HA . 19627 1 2 . 1 1 2 2 ASP HB2 H 1 2.651 0.006 . 1 . . . A 2 ASP HB2 . 19627 1 3 . 1 1 2 2 ASP HB3 H 1 2.651 0.006 . 1 . . . A 2 ASP HB3 . 19627 1 4 . 1 1 2 2 ASP CA C 13 55.206 0.160 . 1 . . . A 2 ASP CA . 19627 1 5 . 1 1 2 2 ASP CB C 13 41.225 0.160 . 1 . . . A 2 ASP CB . 19627 1 6 . 1 1 3 3 GLU H H 1 8.707 0.006 . 1 . . . A 3 GLU H . 19627 1 7 . 1 1 3 3 GLU HA H 1 4.199 0.006 . 1 . . . A 3 GLU HA . 19627 1 8 . 1 1 3 3 GLU HB2 H 1 1.883 0.006 . 2 . . . A 3 GLU HB2 . 19627 1 9 . 1 1 3 3 GLU HB3 H 1 2.031 0.006 . 2 . . . A 3 GLU HB3 . 19627 1 10 . 1 1 3 3 GLU HG2 H 1 2.188 0.006 . 2 . . . A 3 GLU HG2 . 19627 1 11 . 1 1 3 3 GLU HG3 H 1 2.214 0.006 . 2 . . . A 3 GLU HG3 . 19627 1 12 . 1 1 3 3 GLU CA C 13 57.029 0.160 . 1 . . . A 3 GLU CA . 19627 1 13 . 1 1 3 3 GLU CB C 13 29.820 0.160 . 1 . . . A 3 GLU CB . 19627 1 14 . 1 1 3 3 GLU CG C 13 36.316 0.160 . 1 . . . A 3 GLU CG . 19627 1 15 . 1 1 3 3 GLU N N 15 119.869 0.102 . 1 . . . A 3 GLU N . 19627 1 16 . 1 1 4 4 ASP H H 1 8.053 0.006 . 1 . . . A 4 ASP H . 19627 1 17 . 1 1 4 4 ASP HA H 1 4.440 0.006 . 1 . . . A 4 ASP HA . 19627 1 18 . 1 1 4 4 ASP HB2 H 1 2.535 0.006 . 2 . . . A 4 ASP HB2 . 19627 1 19 . 1 1 4 4 ASP HB3 H 1 2.634 0.006 . 2 . . . A 4 ASP HB3 . 19627 1 20 . 1 1 4 4 ASP CA C 13 55.118 0.160 . 1 . . . A 4 ASP CA . 19627 1 21 . 1 1 4 4 ASP CB C 13 41.245 0.160 . 1 . . . A 4 ASP CB . 19627 1 22 . 1 1 4 4 ASP N N 15 119.650 0.102 . 1 . . . A 4 ASP N . 19627 1 23 . 1 1 5 5 ASP H H 1 8.020 0.006 . 1 . . . A 5 ASP H . 19627 1 24 . 1 1 5 5 ASP HA H 1 4.630 0.006 . 1 . . . A 5 ASP HA . 19627 1 25 . 1 1 5 5 ASP HB2 H 1 2.619 0.006 . 1 . . . A 5 ASP HB2 . 19627 1 26 . 1 1 5 5 ASP HB3 H 1 2.619 0.006 . 1 . . . A 5 ASP HB3 . 19627 1 27 . 1 1 5 5 ASP CA C 13 53.761 0.160 . 1 . . . A 5 ASP CA . 19627 1 28 . 1 1 5 5 ASP CB C 13 40.866 0.160 . 1 . . . A 5 ASP CB . 19627 1 29 . 1 1 5 5 ASP N N 15 119.339 0.102 . 1 . . . A 5 ASP N . 19627 1 30 . 1 1 6 6 LYS H H 1 7.711 0.006 . 1 . . . A 6 LYS H . 19627 1 31 . 1 1 6 6 LYS HA H 1 4.217 0.006 . 1 . . . A 6 LYS HA . 19627 1 32 . 1 1 6 6 LYS HB2 H 1 1.709 0.006 . 1 . . . A 6 LYS HB2 . 19627 1 33 . 1 1 6 6 LYS HB3 H 1 1.709 0.006 . 1 . . . A 6 LYS HB3 . 19627 1 34 . 1 1 6 6 LYS HG2 H 1 1.365 0.006 . 2 . . . A 6 LYS HG2 . 19627 1 35 . 1 1 6 6 LYS HG3 H 1 1.329 0.006 . 2 . . . A 6 LYS HG3 . 19627 1 36 . 1 1 6 6 LYS HD2 H 1 1.381 0.006 . 2 . . . A 6 LYS HD2 . 19627 1 37 . 1 1 6 6 LYS HD3 H 1 1.490 0.006 . 2 . . . A 6 LYS HD3 . 19627 1 38 . 1 1 6 6 LYS HE2 H 1 2.939 0.006 . 1 . . . A 6 LYS HE2 . 19627 1 39 . 1 1 6 6 LYS HE3 H 1 2.939 0.006 . 1 . . . A 6 LYS HE3 . 19627 1 40 . 1 1 6 6 LYS CA C 13 56.109 0.160 . 1 . . . A 6 LYS CA . 19627 1 41 . 1 1 6 6 LYS CB C 13 33.916 0.160 . 1 . . . A 6 LYS CB . 19627 1 42 . 1 1 6 6 LYS CG C 13 24.939 0.160 . 1 . . . A 6 LYS CG . 19627 1 43 . 1 1 6 6 LYS CD C 13 28.528 0.160 . 1 . . . A 6 LYS CD . 19627 1 44 . 1 1 6 6 LYS CE C 13 42.739 0.160 . 1 . . . A 6 LYS CE . 19627 1 45 . 1 1 6 6 LYS N N 15 121.265 0.102 . 1 . . . A 6 LYS N . 19627 1 46 . 1 1 7 7 VAL H H 1 8.340 0.006 . 1 . . . A 7 VAL H . 19627 1 47 . 1 1 7 7 VAL HA H 1 4.051 0.006 . 1 . . . A 7 VAL HA . 19627 1 48 . 1 1 7 7 VAL HB H 1 1.934 0.006 . 1 . . . A 7 VAL HB . 19627 1 49 . 1 1 7 7 VAL HG11 H 1 0.701 0.006 . 2 . . . A 7 VAL HG11 . 19627 1 50 . 1 1 7 7 VAL HG12 H 1 0.701 0.006 . 2 . . . A 7 VAL HG12 . 19627 1 51 . 1 1 7 7 VAL HG13 H 1 0.701 0.006 . 2 . . . A 7 VAL HG13 . 19627 1 52 . 1 1 7 7 VAL HG21 H 1 0.672 0.006 . 2 . . . A 7 VAL HG21 . 19627 1 53 . 1 1 7 7 VAL HG22 H 1 0.672 0.006 . 2 . . . A 7 VAL HG22 . 19627 1 54 . 1 1 7 7 VAL HG23 H 1 0.672 0.006 . 2 . . . A 7 VAL HG23 . 19627 1 55 . 1 1 7 7 VAL CA C 13 62.504 0.160 . 1 . . . A 7 VAL CA . 19627 1 56 . 1 1 7 7 VAL CB C 13 33.738 0.160 . 1 . . . A 7 VAL CB . 19627 1 57 . 1 1 7 7 VAL CG1 C 13 21.363 0.160 . 2 . . . A 7 VAL CG1 . 19627 1 58 . 1 1 7 7 VAL CG2 C 13 21.529 0.160 . 2 . . . A 7 VAL CG2 . 19627 1 59 . 1 1 7 7 VAL N N 15 122.743 0.102 . 1 . . . A 7 VAL N . 19627 1 60 . 1 1 8 8 GLU H H 1 8.996 0.006 . 1 . . . A 8 GLU H . 19627 1 61 . 1 1 8 8 GLU HA H 1 4.604 0.006 . 1 . . . A 8 GLU HA . 19627 1 62 . 1 1 8 8 GLU HB2 H 1 1.930 0.006 . 2 . . . A 8 GLU HB2 . 19627 1 63 . 1 1 8 8 GLU HB3 H 1 1.981 0.006 . 1 . . . A 8 GLU HB3 . 19627 1 64 . 1 1 8 8 GLU HG2 H 1 2.235 0.006 . 2 . . . A 8 GLU HG2 . 19627 1 65 . 1 1 8 8 GLU HG3 H 1 2.087 0.006 . 2 . . . A 8 GLU HG3 . 19627 1 66 . 1 1 8 8 GLU CA C 13 54.083 0.160 . 1 . . . A 8 GLU CA . 19627 1 67 . 1 1 8 8 GLU CB C 13 30.047 0.160 . 1 . . . A 8 GLU CB . 19627 1 68 . 1 1 8 8 GLU CG C 13 36.408 0.160 . 1 . . . A 8 GLU CG . 19627 1 69 . 1 1 8 8 GLU N N 15 129.254 0.102 . 1 . . . A 8 GLU N . 19627 1 70 . 1 1 9 9 ILE H H 1 8.478 0.006 . 1 . . . A 9 ILE H . 19627 1 71 . 1 1 9 9 ILE HA H 1 3.819 0.006 . 1 . . . A 9 ILE HA . 19627 1 72 . 1 1 9 9 ILE HB H 1 2.100 0.006 . 1 . . . A 9 ILE HB . 19627 1 73 . 1 1 9 9 ILE HG12 H 1 1.410 0.006 . 2 . . . A 9 ILE HG12 . 19627 1 74 . 1 1 9 9 ILE HG13 H 1 1.455 0.006 . 2 . . . A 9 ILE HG13 . 19627 1 75 . 1 1 9 9 ILE HG21 H 1 0.851 0.006 . 1 . . . A 9 ILE HG21 . 19627 1 76 . 1 1 9 9 ILE HG22 H 1 0.851 0.006 . 1 . . . A 9 ILE HG22 . 19627 1 77 . 1 1 9 9 ILE HG23 H 1 0.851 0.006 . 1 . . . A 9 ILE HG23 . 19627 1 78 . 1 1 9 9 ILE HD11 H 1 0.585 0.006 . 1 . . . A 9 ILE HD11 . 19627 1 79 . 1 1 9 9 ILE HD12 H 1 0.585 0.006 . 1 . . . A 9 ILE HD12 . 19627 1 80 . 1 1 9 9 ILE HD13 H 1 0.585 0.006 . 1 . . . A 9 ILE HD13 . 19627 1 81 . 1 1 9 9 ILE CA C 13 63.426 0.160 . 1 . . . A 9 ILE CA . 19627 1 82 . 1 1 9 9 ILE CB C 13 34.840 0.160 . 1 . . . A 9 ILE CB . 19627 1 83 . 1 1 9 9 ILE CG1 C 13 28.144 0.160 . 1 . . . A 9 ILE CG1 . 19627 1 84 . 1 1 9 9 ILE CG2 C 13 18.064 0.160 . 1 . . . A 9 ILE CG2 . 19627 1 85 . 1 1 9 9 ILE CD1 C 13 10.299 0.160 . 1 . . . A 9 ILE CD1 . 19627 1 86 . 1 1 9 9 ILE N N 15 123.662 0.102 . 1 . . . A 9 ILE N . 19627 1 87 . 1 1 10 10 PRO HA H 1 4.338 0.006 . 1 . . . A 10 PRO HA . 19627 1 88 . 1 1 10 10 PRO HB2 H 1 1.688 0.006 . 2 . . . A 10 PRO HB2 . 19627 1 89 . 1 1 10 10 PRO HB3 H 1 2.395 0.006 . 2 . . . A 10 PRO HB3 . 19627 1 90 . 1 1 10 10 PRO HG2 H 1 2.064 0.006 . 2 . . . A 10 PRO HG2 . 19627 1 91 . 1 1 10 10 PRO HG3 H 1 1.905 0.006 . 2 . . . A 10 PRO HG3 . 19627 1 92 . 1 1 10 10 PRO HD2 H 1 3.324 0.006 . 2 . . . A 10 PRO HD2 . 19627 1 93 . 1 1 10 10 PRO HD3 H 1 3.784 0.006 . 2 . . . A 10 PRO HD3 . 19627 1 94 . 1 1 10 10 PRO CA C 13 65.786 0.160 . 1 . . . A 10 PRO CA . 19627 1 95 . 1 1 10 10 PRO CB C 13 31.859 0.160 . 1 . . . A 10 PRO CB . 19627 1 96 . 1 1 10 10 PRO CG C 13 28.631 0.160 . 1 . . . A 10 PRO CG . 19627 1 97 . 1 1 10 10 PRO CD C 13 51.218 0.160 . 1 . . . A 10 PRO CD . 19627 1 98 . 1 1 11 11 GLN H H 1 7.987 0.006 . 1 . . . A 11 GLN H . 19627 1 99 . 1 1 11 11 GLN HA H 1 4.222 0.006 . 1 . . . A 11 GLN HA . 19627 1 100 . 1 1 11 11 GLN HB2 H 1 1.870 0.006 . 2 . . . A 11 GLN HB2 . 19627 1 101 . 1 1 11 11 GLN HB3 H 1 2.252 0.006 . 2 . . . A 11 GLN HB3 . 19627 1 102 . 1 1 11 11 GLN HG2 H 1 2.211 0.006 . 2 . . . A 11 GLN HG2 . 19627 1 103 . 1 1 11 11 GLN HG3 H 1 2.305 0.006 . 2 . . . A 11 GLN HG3 . 19627 1 104 . 1 1 11 11 GLN HE21 H 1 6.716 0.006 . 2 . . . A 11 GLN HE21 . 19627 1 105 . 1 1 11 11 GLN HE22 H 1 7.517 0.006 . 2 . . . A 11 GLN HE22 . 19627 1 106 . 1 1 11 11 GLN C C 13 176.461 0.160 . 1 . . . A 11 GLN C . 19627 1 107 . 1 1 11 11 GLN CA C 13 55.805 0.160 . 1 . . . A 11 GLN CA . 19627 1 108 . 1 1 11 11 GLN CB C 13 27.861 0.160 . 1 . . . A 11 GLN CB . 19627 1 109 . 1 1 11 11 GLN CG C 13 32.946 0.160 . 1 . . . A 11 GLN CG . 19627 1 110 . 1 1 11 11 GLN N N 15 112.602 0.102 . 1 . . . A 11 GLN N . 19627 1 111 . 1 1 11 11 GLN NE2 N 15 112.776 0.102 . 1 . . . A 11 GLN NE2 . 19627 1 112 . 1 1 12 12 LEU H H 1 7.964 0.006 . 1 . . . A 12 LEU H . 19627 1 113 . 1 1 12 12 LEU HA H 1 3.908 0.006 . 1 . . . A 12 LEU HA . 19627 1 114 . 1 1 12 12 LEU HB2 H 1 1.326 0.006 . 2 . . . A 12 LEU HB2 . 19627 1 115 . 1 1 12 12 LEU HB3 H 1 1.637 0.006 . 2 . . . A 12 LEU HB3 . 19627 1 116 . 1 1 12 12 LEU HG H 1 0.997 0.006 . 1 . . . A 12 LEU HG . 19627 1 117 . 1 1 12 12 LEU HD11 H 1 0.170 0.006 . 2 . . . A 12 LEU HD11 . 19627 1 118 . 1 1 12 12 LEU HD12 H 1 0.170 0.006 . 2 . . . A 12 LEU HD12 . 19627 1 119 . 1 1 12 12 LEU HD13 H 1 0.170 0.006 . 2 . . . A 12 LEU HD13 . 19627 1 120 . 1 1 12 12 LEU HD21 H 1 -0.204 0.006 . 2 . . . A 12 LEU HD21 . 19627 1 121 . 1 1 12 12 LEU HD22 H 1 -0.204 0.006 . 2 . . . A 12 LEU HD22 . 19627 1 122 . 1 1 12 12 LEU HD23 H 1 -0.204 0.006 . 2 . . . A 12 LEU HD23 . 19627 1 123 . 1 1 12 12 LEU CA C 13 58.115 0.160 . 1 . . . A 12 LEU CA . 19627 1 124 . 1 1 12 12 LEU CB C 13 43.303 0.160 . 1 . . . A 12 LEU CB . 19627 1 125 . 1 1 12 12 LEU CG C 13 26.541 0.160 . 1 . . . A 12 LEU CG . 19627 1 126 . 1 1 12 12 LEU CD1 C 13 26.891 0.160 . 2 . . . A 12 LEU CD1 . 19627 1 127 . 1 1 12 12 LEU CD2 C 13 23.310 0.160 . 2 . . . A 12 LEU CD2 . 19627 1 128 . 1 1 12 12 LEU N N 15 119.555 0.102 . 1 . . . A 12 LEU N . 19627 1 129 . 1 1 13 13 VAL H H 1 6.577 0.006 . 1 . . . A 13 VAL H . 19627 1 130 . 1 1 13 13 VAL HA H 1 3.752 0.006 . 1 . . . A 13 VAL HA . 19627 1 131 . 1 1 13 13 VAL HB H 1 1.945 0.006 . 1 . . . A 13 VAL HB . 19627 1 132 . 1 1 13 13 VAL HG11 H 1 1.095 0.006 . 2 . . . A 13 VAL HG11 . 19627 1 133 . 1 1 13 13 VAL HG12 H 1 1.095 0.006 . 2 . . . A 13 VAL HG12 . 19627 1 134 . 1 1 13 13 VAL HG13 H 1 1.095 0.006 . 2 . . . A 13 VAL HG13 . 19627 1 135 . 1 1 13 13 VAL HG21 H 1 0.940 0.006 . 2 . . . A 13 VAL HG21 . 19627 1 136 . 1 1 13 13 VAL HG22 H 1 0.940 0.006 . 2 . . . A 13 VAL HG22 . 19627 1 137 . 1 1 13 13 VAL HG23 H 1 0.940 0.006 . 2 . . . A 13 VAL HG23 . 19627 1 138 . 1 1 13 13 VAL CA C 13 64.717 0.160 . 1 . . . A 13 VAL CA . 19627 1 139 . 1 1 13 13 VAL CB C 13 32.029 0.160 . 1 . . . A 13 VAL CB . 19627 1 140 . 1 1 13 13 VAL CG1 C 13 21.446 0.160 . 2 . . . A 13 VAL CG1 . 19627 1 141 . 1 1 13 13 VAL CG2 C 13 22.706 0.160 . 2 . . . A 13 VAL CG2 . 19627 1 142 . 1 1 13 13 VAL N N 15 112.720 0.102 . 1 . . . A 13 VAL N . 19627 1 143 . 1 1 14 14 GLY H H 1 8.919 0.006 . 1 . . . A 14 GLY H . 19627 1 144 . 1 1 14 14 GLY HA2 H 1 3.807 . . 2 . . . A 14 GLY HA2 . 19627 1 145 . 1 1 14 14 GLY HA3 H 1 4.348 0.006 . 2 . . . A 14 GLY HA3 . 19627 1 146 . 1 1 14 14 GLY CA C 13 43.751 0.160 . 1 . . . A 14 GLY CA . 19627 1 147 . 1 1 14 14 GLY N N 15 116.042 0.102 . 1 . . . A 14 GLY N . 19627 1 148 . 1 1 15 15 LYS H H 1 8.395 0.006 . 1 . . . A 15 LYS H . 19627 1 149 . 1 1 15 15 LYS HA H 1 5.185 0.006 . 1 . . . A 15 LYS HA . 19627 1 150 . 1 1 15 15 LYS HB2 H 1 1.566 0.006 . 1 . . . A 15 LYS HB2 . 19627 1 151 . 1 1 15 15 LYS HB3 H 1 1.566 0.006 . 1 . . . A 15 LYS HB3 . 19627 1 152 . 1 1 15 15 LYS HG2 H 1 1.335 0.006 . 2 . . . A 15 LYS HG2 . 19627 1 153 . 1 1 15 15 LYS HG3 H 1 1.174 0.006 . 2 . . . A 15 LYS HG3 . 19627 1 154 . 1 1 15 15 LYS HD2 H 1 1.370 0.006 . 2 . . . A 15 LYS HD2 . 19627 1 155 . 1 1 15 15 LYS HD3 H 1 1.426 0.006 . 2 . . . A 15 LYS HD3 . 19627 1 156 . 1 1 15 15 LYS HE2 H 1 2.691 0.006 . 2 . . . A 15 LYS HE2 . 19627 1 157 . 1 1 15 15 LYS HE3 H 1 2.595 0.006 . 2 . . . A 15 LYS HE3 . 19627 1 158 . 1 1 15 15 LYS CA C 13 55.797 0.160 . 1 . . . A 15 LYS CA . 19627 1 159 . 1 1 15 15 LYS CB C 13 35.159 0.160 . 1 . . . A 15 LYS CB . 19627 1 160 . 1 1 15 15 LYS CG C 13 25.832 0.160 . 1 . . . A 15 LYS CG . 19627 1 161 . 1 1 15 15 LYS CD C 13 29.859 0.160 . 1 . . . A 15 LYS CD . 19627 1 162 . 1 1 15 15 LYS CE C 13 42.200 0.160 . 1 . . . A 15 LYS CE . 19627 1 163 . 1 1 15 15 LYS N N 15 120.788 0.102 . 1 . . . A 15 LYS N . 19627 1 164 . 1 1 16 16 TRP H H 1 9.550 0.006 . 1 . . . A 16 TRP H . 19627 1 165 . 1 1 16 16 TRP HA H 1 4.915 0.006 . 1 . . . A 16 TRP HA . 19627 1 166 . 1 1 16 16 TRP HB2 H 1 2.891 0.006 . 2 . . . A 16 TRP HB2 . 19627 1 167 . 1 1 16 16 TRP HB3 H 1 2.890 0.006 . 2 . . . A 16 TRP HB3 . 19627 1 168 . 1 1 16 16 TRP HD1 H 1 7.336 0.006 . 1 . . . A 16 TRP HD1 . 19627 1 169 . 1 1 16 16 TRP HE1 H 1 10.749 0.006 . 1 . . . A 16 TRP HE1 . 19627 1 170 . 1 1 16 16 TRP HE3 H 1 6.667 0.006 . 1 . . . A 16 TRP HE3 . 19627 1 171 . 1 1 16 16 TRP HZ2 H 1 7.601 0.006 . 1 . . . A 16 TRP HZ2 . 19627 1 172 . 1 1 16 16 TRP HZ3 H 1 6.339 0.006 . 1 . . . A 16 TRP HZ3 . 19627 1 173 . 1 1 16 16 TRP HH2 H 1 7.249 0.006 . 1 . . . A 16 TRP HH2 . 19627 1 174 . 1 1 16 16 TRP CA C 13 55.800 0.160 . 1 . . . A 16 TRP CA . 19627 1 175 . 1 1 16 16 TRP CB C 13 34.179 0.160 . 1 . . . A 16 TRP CB . 19627 1 176 . 1 1 16 16 TRP CD1 C 13 124.398 0.160 . 1 . . . A 16 TRP CD1 . 19627 1 177 . 1 1 16 16 TRP CE3 C 13 115.249 0.160 . 1 . . . A 16 TRP CE3 . 19627 1 178 . 1 1 16 16 TRP CZ2 C 13 113.054 0.160 . 1 . . . A 16 TRP CZ2 . 19627 1 179 . 1 1 16 16 TRP CZ3 C 13 119.847 0.160 . 1 . . . A 16 TRP CZ3 . 19627 1 180 . 1 1 16 16 TRP CH2 C 13 122.175 0.160 . 1 . . . A 16 TRP CH2 . 19627 1 181 . 1 1 16 16 TRP N N 15 123.983 0.102 . 1 . . . A 16 TRP N . 19627 1 182 . 1 1 16 16 TRP NE1 N 15 129.196 0.102 . 1 . . . A 16 TRP NE1 . 19627 1 183 . 1 1 17 17 ILE H H 1 9.390 0.006 . 1 . . . A 17 ILE H . 19627 1 184 . 1 1 17 17 ILE HA H 1 4.892 0.006 . 1 . . . A 17 ILE HA . 19627 1 185 . 1 1 17 17 ILE HB H 1 1.747 0.006 . 1 . . . A 17 ILE HB . 19627 1 186 . 1 1 17 17 ILE HG12 H 1 1.497 0.006 . 2 . . . A 17 ILE HG12 . 19627 1 187 . 1 1 17 17 ILE HG13 H 1 1.116 0.006 . 2 . . . A 17 ILE HG13 . 19627 1 188 . 1 1 17 17 ILE HG21 H 1 0.824 0.006 . 1 . . . A 17 ILE HG21 . 19627 1 189 . 1 1 17 17 ILE HG22 H 1 0.824 0.006 . 1 . . . A 17 ILE HG22 . 19627 1 190 . 1 1 17 17 ILE HG23 H 1 0.824 0.006 . 1 . . . A 17 ILE HG23 . 19627 1 191 . 1 1 17 17 ILE HD11 H 1 0.653 0.006 . 1 . . . A 17 ILE HD11 . 19627 1 192 . 1 1 17 17 ILE HD12 H 1 0.653 0.006 . 1 . . . A 17 ILE HD12 . 19627 1 193 . 1 1 17 17 ILE HD13 H 1 0.653 0.006 . 1 . . . A 17 ILE HD13 . 19627 1 194 . 1 1 17 17 ILE CA C 13 58.782 0.160 . 1 . . . A 17 ILE CA . 19627 1 195 . 1 1 17 17 ILE CB C 13 40.584 0.160 . 1 . . . A 17 ILE CB . 19627 1 196 . 1 1 17 17 ILE CG1 C 13 28.455 0.160 . 1 . . . A 17 ILE CG1 . 19627 1 197 . 1 1 17 17 ILE CG2 C 13 17.354 0.160 . 1 . . . A 17 ILE CG2 . 19627 1 198 . 1 1 17 17 ILE CD1 C 13 13.057 0.160 . 1 . . . A 17 ILE CD1 . 19627 1 199 . 1 1 17 17 ILE N N 15 122.229 0.102 . 1 . . . A 17 ILE N . 19627 1 200 . 1 1 18 18 VAL H H 1 8.739 0.006 . 1 . . . A 18 VAL H . 19627 1 201 . 1 1 18 18 VAL HA H 1 3.841 0.006 . 1 . . . A 18 VAL HA . 19627 1 202 . 1 1 18 18 VAL HB H 1 2.276 0.006 . 1 . . . A 18 VAL HB . 19627 1 203 . 1 1 18 18 VAL HG11 H 1 0.902 0.006 . 2 . . . A 18 VAL HG11 . 19627 1 204 . 1 1 18 18 VAL HG12 H 1 0.902 0.006 . 2 . . . A 18 VAL HG12 . 19627 1 205 . 1 1 18 18 VAL HG13 H 1 0.902 0.006 . 2 . . . A 18 VAL HG13 . 19627 1 206 . 1 1 18 18 VAL HG21 H 1 0.943 0.006 . 2 . . . A 18 VAL HG21 . 19627 1 207 . 1 1 18 18 VAL HG22 H 1 0.943 0.006 . 2 . . . A 18 VAL HG22 . 19627 1 208 . 1 1 18 18 VAL HG23 H 1 0.943 0.006 . 2 . . . A 18 VAL HG23 . 19627 1 209 . 1 1 18 18 VAL CA C 13 64.643 0.160 . 1 . . . A 18 VAL CA . 19627 1 210 . 1 1 18 18 VAL CB C 13 31.568 0.160 . 1 . . . A 18 VAL CB . 19627 1 211 . 1 1 18 18 VAL CG1 C 13 23.523 0.160 . 2 . . . A 18 VAL CG1 . 19627 1 212 . 1 1 18 18 VAL CG2 C 13 23.160 0.160 . 2 . . . A 18 VAL CG2 . 19627 1 213 . 1 1 18 18 VAL N N 15 126.326 0.102 . 1 . . . A 18 VAL N . 19627 1 214 . 1 1 19 19 LYS H H 1 9.195 0.006 . 1 . . . A 19 LYS H . 19627 1 215 . 1 1 19 19 LYS HA H 1 4.456 0.006 . 1 . . . A 19 LYS HA . 19627 1 216 . 1 1 19 19 LYS HB2 H 1 1.418 0.006 . 2 . . . A 19 LYS HB2 . 19627 1 217 . 1 1 19 19 LYS HB3 H 1 1.811 0.006 . 2 . . . A 19 LYS HB3 . 19627 1 218 . 1 1 19 19 LYS HG2 H 1 1.509 0.006 . 2 . . . A 19 LYS HG2 . 19627 1 219 . 1 1 19 19 LYS HG3 H 1 1.398 0.006 . 2 . . . A 19 LYS HG3 . 19627 1 220 . 1 1 19 19 LYS HD2 H 1 1.376 0.006 . 1 . . . A 19 LYS HD2 . 19627 1 221 . 1 1 19 19 LYS HD3 H 1 1.376 0.006 . 1 . . . A 19 LYS HD3 . 19627 1 222 . 1 1 19 19 LYS HE2 H 1 2.945 0.006 . 1 . . . A 19 LYS HE2 . 19627 1 223 . 1 1 19 19 LYS HE3 H 1 2.945 0.006 . 1 . . . A 19 LYS HE3 . 19627 1 224 . 1 1 19 19 LYS CA C 13 54.524 0.160 . 1 . . . A 19 LYS CA . 19627 1 225 . 1 1 19 19 LYS CB C 13 33.173 0.160 . 1 . . . A 19 LYS CB . 19627 1 226 . 1 1 19 19 LYS CG C 13 23.881 0.160 . 1 . . . A 19 LYS CG . 19627 1 227 . 1 1 19 19 LYS CD C 13 28.859 0.160 . 1 . . . A 19 LYS CD . 19627 1 228 . 1 1 19 19 LYS CE C 13 42.446 0.160 . 1 . . . A 19 LYS CE . 19627 1 229 . 1 1 19 19 LYS N N 15 129.061 0.102 . 1 . . . A 19 LYS N . 19627 1 230 . 1 1 20 20 GLU H H 1 7.661 0.006 . 1 . . . A 20 GLU H . 19627 1 231 . 1 1 20 20 GLU HA H 1 4.390 0.006 . 1 . . . A 20 GLU HA . 19627 1 232 . 1 1 20 20 GLU HB2 H 1 1.798 0.006 . 2 . . . A 20 GLU HB2 . 19627 1 233 . 1 1 20 20 GLU HB3 H 1 1.995 0.006 . 2 . . . A 20 GLU HB3 . 19627 1 234 . 1 1 20 20 GLU HG2 H 1 2.246 0.006 . 2 . . . A 20 GLU HG2 . 19627 1 235 . 1 1 20 20 GLU HG3 H 1 2.065 0.006 . 2 . . . A 20 GLU HG3 . 19627 1 236 . 1 1 20 20 GLU CA C 13 54.118 0.160 . 1 . . . A 20 GLU CA . 19627 1 237 . 1 1 20 20 GLU CB C 13 33.513 0.160 . 1 . . . A 20 GLU CB . 19627 1 238 . 1 1 20 20 GLU CG C 13 36.742 0.160 . 1 . . . A 20 GLU CG . 19627 1 239 . 1 1 20 20 GLU N N 15 118.305 0.102 . 1 . . . A 20 GLU N . 19627 1 240 . 1 1 21 21 PRO HA H 1 4.607 0.006 . 1 . . . A 21 PRO HA . 19627 1 241 . 1 1 21 21 PRO HB2 H 1 2.401 0.006 . 2 . . . A 21 PRO HB2 . 19627 1 242 . 1 1 21 21 PRO HB3 H 1 1.934 0.006 . 2 . . . A 21 PRO HB3 . 19627 1 243 . 1 1 21 21 PRO HG2 H 1 1.949 0.006 . 2 . . . A 21 PRO HG2 . 19627 1 244 . 1 1 21 21 PRO HG3 H 1 1.840 0.006 . 2 . . . A 21 PRO HG3 . 19627 1 245 . 1 1 21 21 PRO HD2 H 1 4.043 0.006 . 2 . . . A 21 PRO HD2 . 19627 1 246 . 1 1 21 21 PRO HD3 H 1 3.418 0.006 . 2 . . . A 21 PRO HD3 . 19627 1 247 . 1 1 21 21 PRO CA C 13 62.630 0.160 . 1 . . . A 21 PRO CA . 19627 1 248 . 1 1 21 21 PRO CB C 13 34.790 0.160 . 1 . . . A 21 PRO CB . 19627 1 249 . 1 1 21 21 PRO CG C 13 25.512 0.160 . 1 . . . A 21 PRO CG . 19627 1 250 . 1 1 21 21 PRO CD C 13 50.294 0.160 . 1 . . . A 21 PRO CD . 19627 1 251 . 1 1 22 22 VAL H H 1 8.354 0.006 . 1 . . . A 22 VAL H . 19627 1 252 . 1 1 22 22 VAL HA H 1 4.017 0.006 . 1 . . . A 22 VAL HA . 19627 1 253 . 1 1 22 22 VAL HB H 1 1.974 0.006 . 1 . . . A 22 VAL HB . 19627 1 254 . 1 1 22 22 VAL HG11 H 1 0.948 0.006 . 2 . . . A 22 VAL HG11 . 19627 1 255 . 1 1 22 22 VAL HG12 H 1 0.948 0.006 . 2 . . . A 22 VAL HG12 . 19627 1 256 . 1 1 22 22 VAL HG13 H 1 0.948 0.006 . 2 . . . A 22 VAL HG13 . 19627 1 257 . 1 1 22 22 VAL HG21 H 1 1.018 0.006 . 2 . . . A 22 VAL HG21 . 19627 1 258 . 1 1 22 22 VAL HG22 H 1 1.018 0.006 . 2 . . . A 22 VAL HG22 . 19627 1 259 . 1 1 22 22 VAL HG23 H 1 1.018 0.006 . 2 . . . A 22 VAL HG23 . 19627 1 260 . 1 1 22 22 VAL CA C 13 62.374 0.160 . 1 . . . A 22 VAL CA . 19627 1 261 . 1 1 22 22 VAL CB C 13 32.937 0.160 . 1 . . . A 22 VAL CB . 19627 1 262 . 1 1 22 22 VAL CG1 C 13 21.517 0.160 . 2 . . . A 22 VAL CG1 . 19627 1 263 . 1 1 22 22 VAL CG2 C 13 21.497 0.160 . 2 . . . A 22 VAL CG2 . 19627 1 264 . 1 1 22 22 VAL N N 15 119.998 0.102 . 1 . . . A 22 VAL N . 19627 1 265 . 1 1 23 23 LEU H H 1 8.580 0.006 . 1 . . . A 23 LEU H . 19627 1 266 . 1 1 23 23 LEU HA H 1 4.447 0.006 . 1 . . . A 23 LEU HA . 19627 1 267 . 1 1 23 23 LEU HB2 H 1 1.839 0.006 . 2 . . . A 23 LEU HB2 . 19627 1 268 . 1 1 23 23 LEU HB3 H 1 1.464 0.006 . 2 . . . A 23 LEU HB3 . 19627 1 269 . 1 1 23 23 LEU HG H 1 1.713 0.006 . 1 . . . A 23 LEU HG . 19627 1 270 . 1 1 23 23 LEU HD11 H 1 0.781 0.006 . 2 . . . A 23 LEU HD11 . 19627 1 271 . 1 1 23 23 LEU HD12 H 1 0.781 0.006 . 2 . . . A 23 LEU HD12 . 19627 1 272 . 1 1 23 23 LEU HD13 H 1 0.781 0.006 . 2 . . . A 23 LEU HD13 . 19627 1 273 . 1 1 23 23 LEU HD21 H 1 0.737 0.006 . 2 . . . A 23 LEU HD21 . 19627 1 274 . 1 1 23 23 LEU HD22 H 1 0.737 0.006 . 2 . . . A 23 LEU HD22 . 19627 1 275 . 1 1 23 23 LEU HD23 H 1 0.737 0.006 . 2 . . . A 23 LEU HD23 . 19627 1 276 . 1 1 23 23 LEU CA C 13 54.190 0.160 . 1 . . . A 23 LEU CA . 19627 1 277 . 1 1 23 23 LEU CB C 13 42.828 0.160 . 1 . . . A 23 LEU CB . 19627 1 278 . 1 1 23 23 LEU CG C 13 27.121 0.160 . 1 . . . A 23 LEU CG . 19627 1 279 . 1 1 23 23 LEU CD1 C 13 25.920 0.160 . 2 . . . A 23 LEU CD1 . 19627 1 280 . 1 1 23 23 LEU CD2 C 13 22.541 0.160 . 2 . . . A 23 LEU CD2 . 19627 1 281 . 1 1 23 23 LEU N N 15 128.343 0.102 . 1 . . . A 23 LEU N . 19627 1 282 . 1 1 24 24 GLN H H 1 8.142 0.006 . 1 . . . A 24 GLN H . 19627 1 283 . 1 1 24 24 GLN HA H 1 4.260 0.006 . 1 . . . A 24 GLN HA . 19627 1 284 . 1 1 24 24 GLN HB2 H 1 2.008 0.006 . 2 . . . A 24 GLN HB2 . 19627 1 285 . 1 1 24 24 GLN HB3 H 1 1.865 0.006 . 2 . . . A 24 GLN HB3 . 19627 1 286 . 1 1 24 24 GLN HG2 H 1 2.260 0.006 . 1 . . . A 24 GLN HG2 . 19627 1 287 . 1 1 24 24 GLN HG3 H 1 2.260 0.006 . 1 . . . A 24 GLN HG3 . 19627 1 288 . 1 1 24 24 GLN HE21 H 1 6.754 0.006 . 2 . . . A 24 GLN HE21 . 19627 1 289 . 1 1 24 24 GLN HE22 H 1 7.441 0.006 . 2 . . . A 24 GLN HE22 . 19627 1 290 . 1 1 24 24 GLN CA C 13 55.598 0.160 . 1 . . . A 24 GLN CA . 19627 1 291 . 1 1 24 24 GLN CB C 13 30.104 0.160 . 1 . . . A 24 GLN CB . 19627 1 292 . 1 1 24 24 GLN CG C 13 34.165 0.160 . 1 . . . A 24 GLN CG . 19627 1 293 . 1 1 24 24 GLN N N 15 117.971 0.102 . 1 . . . A 24 GLN N . 19627 1 294 . 1 1 24 24 GLN NE2 N 15 111.709 0.102 . 1 . . . A 24 GLN NE2 . 19627 1 295 . 1 1 25 25 ASP H H 1 8.587 0.006 . 1 . . . A 25 ASP H . 19627 1 296 . 1 1 25 25 ASP HA H 1 4.206 0.006 . 1 . . . A 25 ASP HA . 19627 1 297 . 1 1 25 25 ASP HB2 H 1 2.701 0.006 . 2 . . . A 25 ASP HB2 . 19627 1 298 . 1 1 25 25 ASP HB3 H 1 2.572 0.006 . 2 . . . A 25 ASP HB3 . 19627 1 299 . 1 1 25 25 ASP CA C 13 55.769 0.160 . 1 . . . A 25 ASP CA . 19627 1 300 . 1 1 25 25 ASP CB C 13 39.962 0.160 . 1 . . . A 25 ASP CB . 19627 1 301 . 1 1 25 25 ASP N N 15 117.501 0.102 . 1 . . . A 25 ASP N . 19627 1 302 . 1 1 26 26 ASP H H 1 8.336 0.006 . 1 . . . A 26 ASP H . 19627 1 303 . 1 1 26 26 ASP HA H 1 4.335 0.006 . 1 . . . A 26 ASP HA . 19627 1 304 . 1 1 26 26 ASP HB2 H 1 2.686 0.006 . 2 . . . A 26 ASP HB2 . 19627 1 305 . 1 1 26 26 ASP HB3 H 1 2.742 0.006 . 2 . . . A 26 ASP HB3 . 19627 1 306 . 1 1 26 26 ASP CA C 13 55.159 0.160 . 1 . . . A 26 ASP CA . 19627 1 307 . 1 1 26 26 ASP CB C 13 39.737 0.160 . 1 . . . A 26 ASP CB . 19627 1 308 . 1 1 26 26 ASP N N 15 112.782 0.102 . 1 . . . A 26 ASP N . 19627 1 309 . 1 1 27 27 PHE H H 1 7.599 0.006 . 1 . . . A 27 PHE H . 19627 1 310 . 1 1 27 27 PHE HA H 1 4.427 0.006 . 1 . . . A 27 PHE HA . 19627 1 311 . 1 1 27 27 PHE HB2 H 1 3.020 0.006 . 2 . . . A 27 PHE HB2 . 19627 1 312 . 1 1 27 27 PHE HB3 H 1 2.638 0.006 . 2 . . . A 27 PHE HB3 . 19627 1 313 . 1 1 27 27 PHE HD1 H 1 7.082 0.006 . 3 . . . A 27 PHE HD1 . 19627 1 314 . 1 1 27 27 PHE HD2 H 1 7.082 0.006 . 3 . . . A 27 PHE HD2 . 19627 1 315 . 1 1 27 27 PHE HE1 H 1 7.269 0.006 . 3 . . . A 27 PHE HE1 . 19627 1 316 . 1 1 27 27 PHE HE2 H 1 7.269 0.006 . 3 . . . A 27 PHE HE2 . 19627 1 317 . 1 1 27 27 PHE HZ H 1 7.212 0.006 . 1 . . . A 27 PHE HZ . 19627 1 318 . 1 1 27 27 PHE CA C 13 58.011 0.160 . 1 . . . A 27 PHE CA . 19627 1 319 . 1 1 27 27 PHE CB C 13 40.533 0.160 . 1 . . . A 27 PHE CB . 19627 1 320 . 1 1 27 27 PHE CD1 C 13 128.390 0.160 . 3 . . . A 27 PHE CD1 . 19627 1 321 . 1 1 27 27 PHE CE1 C 13 128.443 0.160 . 3 . . . A 27 PHE CE1 . 19627 1 322 . 1 1 27 27 PHE CZ C 13 127.000 0.160 . 1 . . . A 27 PHE CZ . 19627 1 323 . 1 1 27 27 PHE N N 15 118.623 0.102 . 1 . . . A 27 PHE N . 19627 1 324 . 1 1 28 28 VAL H H 1 8.567 0.006 . 1 . . . A 28 VAL H . 19627 1 325 . 1 1 28 28 VAL HA H 1 4.500 0.006 . 1 . . . A 28 VAL HA . 19627 1 326 . 1 1 28 28 VAL HB H 1 1.940 0.006 . 1 . . . A 28 VAL HB . 19627 1 327 . 1 1 28 28 VAL HG11 H 1 0.880 0.006 . 2 . . . A 28 VAL HG11 . 19627 1 328 . 1 1 28 28 VAL HG12 H 1 0.880 0.006 . 2 . . . A 28 VAL HG12 . 19627 1 329 . 1 1 28 28 VAL HG13 H 1 0.880 0.006 . 2 . . . A 28 VAL HG13 . 19627 1 330 . 1 1 28 28 VAL HG21 H 1 0.905 0.006 . 2 . . . A 28 VAL HG21 . 19627 1 331 . 1 1 28 28 VAL HG22 H 1 0.905 0.006 . 2 . . . A 28 VAL HG22 . 19627 1 332 . 1 1 28 28 VAL HG23 H 1 0.905 0.006 . 2 . . . A 28 VAL HG23 . 19627 1 333 . 1 1 28 28 VAL CA C 13 60.900 0.160 . 1 . . . A 28 VAL CA . 19627 1 334 . 1 1 28 28 VAL CB C 13 36.175 0.160 . 1 . . . A 28 VAL CB . 19627 1 335 . 1 1 28 28 VAL CG1 C 13 21.030 0.160 . 2 . . . A 28 VAL CG1 . 19627 1 336 . 1 1 28 28 VAL CG2 C 13 21.846 0.160 . 2 . . . A 28 VAL CG2 . 19627 1 337 . 1 1 28 28 VAL N N 15 119.117 0.102 . 1 . . . A 28 VAL N . 19627 1 338 . 1 1 29 29 THR H H 1 9.012 0.006 . 1 . . . A 29 THR H . 19627 1 339 . 1 1 29 29 THR HA H 1 5.212 0.006 . 1 . . . A 29 THR HA . 19627 1 340 . 1 1 29 29 THR HB H 1 3.653 0.006 . 1 . . . A 29 THR HB . 19627 1 341 . 1 1 29 29 THR HG21 H 1 0.886 0.006 . 1 . . . A 29 THR HG21 . 19627 1 342 . 1 1 29 29 THR HG22 H 1 0.886 0.006 . 1 . . . A 29 THR HG22 . 19627 1 343 . 1 1 29 29 THR HG23 H 1 0.886 0.006 . 1 . . . A 29 THR HG23 . 19627 1 344 . 1 1 29 29 THR CA C 13 62.051 0.160 . 1 . . . A 29 THR CA . 19627 1 345 . 1 1 29 29 THR CB C 13 70.541 0.160 . 1 . . . A 29 THR CB . 19627 1 346 . 1 1 29 29 THR CG2 C 13 23.484 0.160 . 1 . . . A 29 THR CG2 . 19627 1 347 . 1 1 29 29 THR N N 15 124.304 0.102 . 1 . . . A 29 THR N . 19627 1 348 . 1 1 30 30 CYS H H 1 8.859 0.006 . 1 . . . A 30 CYS H . 19627 1 349 . 1 1 30 30 CYS HA H 1 5.581 0.006 . 1 . . . A 30 CYS HA . 19627 1 350 . 1 1 30 30 CYS HB2 H 1 2.515 0.006 . 2 . . . A 30 CYS HB2 . 19627 1 351 . 1 1 30 30 CYS HB3 H 1 2.552 0.006 . 2 . . . A 30 CYS HB3 . 19627 1 352 . 1 1 30 30 CYS CA C 13 56.066 0.160 . 1 . . . A 30 CYS CA . 19627 1 353 . 1 1 30 30 CYS CB C 13 31.010 0.160 . 1 . . . A 30 CYS CB . 19627 1 354 . 1 1 30 30 CYS N N 15 123.969 0.102 . 1 . . . A 30 CYS N . 19627 1 355 . 1 1 31 31 TYR H H 1 9.302 0.006 . 1 . . . A 31 TYR H . 19627 1 356 . 1 1 31 31 TYR HA H 1 5.165 0.006 . 1 . . . A 31 TYR HA . 19627 1 357 . 1 1 31 31 TYR HB2 H 1 2.295 0.006 . 2 . . . A 31 TYR HB2 . 19627 1 358 . 1 1 31 31 TYR HB3 H 1 2.565 0.006 . 2 . . . A 31 TYR HB3 . 19627 1 359 . 1 1 31 31 TYR HD1 H 1 6.578 0.006 . 3 . . . A 31 TYR HD1 . 19627 1 360 . 1 1 31 31 TYR HD2 H 1 6.578 0.006 . 3 . . . A 31 TYR HD2 . 19627 1 361 . 1 1 31 31 TYR HE1 H 1 6.479 0.006 . 3 . . . A 31 TYR HE1 . 19627 1 362 . 1 1 31 31 TYR HE2 H 1 6.479 0.006 . 3 . . . A 31 TYR HE2 . 19627 1 363 . 1 1 31 31 TYR CA C 13 57.270 0.160 . 1 . . . A 31 TYR CA . 19627 1 364 . 1 1 31 31 TYR CB C 13 43.631 0.160 . 1 . . . A 31 TYR CB . 19627 1 365 . 1 1 31 31 TYR CD2 C 13 129.978 0.160 . 3 . . . A 31 TYR CD2 . 19627 1 366 . 1 1 31 31 TYR CE2 C 13 115.734 0.160 . 3 . . . A 31 TYR CE2 . 19627 1 367 . 1 1 31 31 TYR N N 15 125.131 0.102 . 1 . . . A 31 TYR N . 19627 1 368 . 1 1 32 32 THR H H 1 9.349 0.006 . 1 . . . A 32 THR H . 19627 1 369 . 1 1 32 32 THR HA H 1 5.122 0.006 . 1 . . . A 32 THR HA . 19627 1 370 . 1 1 32 32 THR HB H 1 3.889 0.006 . 1 . . . A 32 THR HB . 19627 1 371 . 1 1 32 32 THR HG21 H 1 1.046 0.006 . 1 . . . A 32 THR HG21 . 19627 1 372 . 1 1 32 32 THR HG22 H 1 1.046 0.006 . 1 . . . A 32 THR HG22 . 19627 1 373 . 1 1 32 32 THR HG23 H 1 1.046 0.006 . 1 . . . A 32 THR HG23 . 19627 1 374 . 1 1 32 32 THR CA C 13 61.828 0.160 . 1 . . . A 32 THR CA . 19627 1 375 . 1 1 32 32 THR CB C 13 70.848 0.160 . 1 . . . A 32 THR CB . 19627 1 376 . 1 1 32 32 THR CG2 C 13 21.403 0.160 . 1 . . . A 32 THR CG2 . 19627 1 377 . 1 1 32 32 THR N N 15 118.682 0.102 . 1 . . . A 32 THR N . 19627 1 378 . 1 1 33 33 PHE H H 1 9.177 0.006 . 1 . . . A 33 PHE H . 19627 1 379 . 1 1 33 33 PHE HA H 1 4.844 0.006 . 1 . . . A 33 PHE HA . 19627 1 380 . 1 1 33 33 PHE HB2 H 1 3.218 0.006 . 2 . . . A 33 PHE HB2 . 19627 1 381 . 1 1 33 33 PHE HB3 H 1 2.641 0.006 . 2 . . . A 33 PHE HB3 . 19627 1 382 . 1 1 33 33 PHE HD1 H 1 6.693 0.006 . 3 . . . A 33 PHE HD1 . 19627 1 383 . 1 1 33 33 PHE HD2 H 1 6.693 0.006 . 3 . . . A 33 PHE HD2 . 19627 1 384 . 1 1 33 33 PHE CA C 13 57.983 0.160 . 1 . . . A 33 PHE CA . 19627 1 385 . 1 1 33 33 PHE CB C 13 40.905 0.160 . 1 . . . A 33 PHE CB . 19627 1 386 . 1 1 33 33 PHE CD1 C 13 129.522 0.160 . 3 . . . A 33 PHE CD1 . 19627 1 387 . 1 1 33 33 PHE N N 15 123.161 0.102 . 1 . . . A 33 PHE N . 19627 1 388 . 1 1 34 34 ASN H H 1 9.139 0.006 . 1 . . . A 34 ASN H . 19627 1 389 . 1 1 34 34 ASN HA H 1 5.355 0.006 . 1 . . . A 34 ASN HA . 19627 1 390 . 1 1 34 34 ASN HB2 H 1 3.265 0.006 . 2 . . . A 34 ASN HB2 . 19627 1 391 . 1 1 34 34 ASN HB3 H 1 2.871 0.006 . 2 . . . A 34 ASN HB3 . 19627 1 392 . 1 1 34 34 ASN HD21 H 1 7.527 0.006 . 2 . . . A 34 ASN HD21 . 19627 1 393 . 1 1 34 34 ASN HD22 H 1 6.906 0.006 . 2 . . . A 34 ASN HD22 . 19627 1 394 . 1 1 34 34 ASN CA C 13 52.483 0.160 . 1 . . . A 34 ASN CA . 19627 1 395 . 1 1 34 34 ASN CB C 13 41.443 0.160 . 1 . . . A 34 ASN CB . 19627 1 396 . 1 1 34 34 ASN N N 15 119.699 0.102 . 1 . . . A 34 ASN N . 19627 1 397 . 1 1 34 34 ASN ND2 N 15 114.232 0.102 . 1 . . . A 34 ASN ND2 . 19627 1 398 . 1 1 35 35 ALA H H 1 9.788 0.006 . 1 . . . A 35 ALA H . 19627 1 399 . 1 1 35 35 ALA HA H 1 4.167 0.006 . 1 . . . A 35 ALA HA . 19627 1 400 . 1 1 35 35 ALA HB1 H 1 1.525 0.006 . 1 . . . A 35 ALA HB1 . 19627 1 401 . 1 1 35 35 ALA HB2 H 1 1.525 0.006 . 1 . . . A 35 ALA HB2 . 19627 1 402 . 1 1 35 35 ALA HB3 H 1 1.525 0.006 . 1 . . . A 35 ALA HB3 . 19627 1 403 . 1 1 35 35 ALA CA C 13 54.814 0.160 . 1 . . . A 35 ALA CA . 19627 1 404 . 1 1 35 35 ALA CB C 13 18.405 0.160 . 1 . . . A 35 ALA CB . 19627 1 405 . 1 1 35 35 ALA N N 15 128.044 0.102 . 1 . . . A 35 ALA N . 19627 1 406 . 1 1 36 36 ASP H H 1 7.872 0.006 . 1 . . . A 36 ASP H . 19627 1 407 . 1 1 36 36 ASP HA H 1 4.437 0.006 . 1 . . . A 36 ASP HA . 19627 1 408 . 1 1 36 36 ASP HB2 H 1 3.036 0.006 . 2 . . . A 36 ASP HB2 . 19627 1 409 . 1 1 36 36 ASP HB3 H 1 2.512 0.006 . 2 . . . A 36 ASP HB3 . 19627 1 410 . 1 1 36 36 ASP CA C 13 53.395 0.160 . 1 . . . A 36 ASP CA . 19627 1 411 . 1 1 36 36 ASP CB C 13 39.512 0.160 . 1 . . . A 36 ASP CB . 19627 1 412 . 1 1 36 36 ASP N N 15 116.944 0.102 . 1 . . . A 36 ASP N . 19627 1 413 . 1 1 37 37 LYS H H 1 7.511 0.006 . 1 . . . A 37 LYS H . 19627 1 414 . 1 1 37 37 LYS HA H 1 3.264 0.006 . 1 . . . A 37 LYS HA . 19627 1 415 . 1 1 37 37 LYS HB2 H 1 2.141 0.006 . 2 . . . A 37 LYS HB2 . 19627 1 416 . 1 1 37 37 LYS HB3 H 1 1.988 0.006 . 2 . . . A 37 LYS HB3 . 19627 1 417 . 1 1 37 37 LYS HG2 H 1 1.217 0.006 . 2 . . . A 37 LYS HG2 . 19627 1 418 . 1 1 37 37 LYS HG3 H 1 1.040 0.006 . 2 . . . A 37 LYS HG3 . 19627 1 419 . 1 1 37 37 LYS HD2 H 1 1.375 0.006 . 2 . . . A 37 LYS HD2 . 19627 1 420 . 1 1 37 37 LYS HD3 H 1 1.495 0.006 . 2 . . . A 37 LYS HD3 . 19627 1 421 . 1 1 37 37 LYS HE2 H 1 2.932 0.006 . 1 . . . A 37 LYS HE2 . 19627 1 422 . 1 1 37 37 LYS HE3 H 1 2.932 0.006 . 1 . . . A 37 LYS HE3 . 19627 1 423 . 1 1 37 37 LYS CA C 13 59.074 0.160 . 1 . . . A 37 LYS CA . 19627 1 424 . 1 1 37 37 LYS CB C 13 27.597 0.160 . 1 . . . A 37 LYS CB . 19627 1 425 . 1 1 37 37 LYS CG C 13 25.399 0.160 . 1 . . . A 37 LYS CG . 19627 1 426 . 1 1 37 37 LYS CD C 13 29.018 0.160 . 1 . . . A 37 LYS CD . 19627 1 427 . 1 1 37 37 LYS CE C 13 42.583 0.160 . 1 . . . A 37 LYS CE . 19627 1 428 . 1 1 37 37 LYS N N 15 108.202 0.102 . 1 . . . A 37 LYS N . 19627 1 429 . 1 1 38 38 THR H H 1 7.823 0.006 . 1 . . . A 38 THR H . 19627 1 430 . 1 1 38 38 THR HA H 1 5.403 0.006 . 1 . . . A 38 THR HA . 19627 1 431 . 1 1 38 38 THR HB H 1 4.430 0.006 . 1 . . . A 38 THR HB . 19627 1 432 . 1 1 38 38 THR HG21 H 1 1.128 0.006 . 1 . . . A 38 THR HG21 . 19627 1 433 . 1 1 38 38 THR HG22 H 1 1.128 0.006 . 1 . . . A 38 THR HG22 . 19627 1 434 . 1 1 38 38 THR HG23 H 1 1.128 0.006 . 1 . . . A 38 THR HG23 . 19627 1 435 . 1 1 38 38 THR CA C 13 61.011 0.160 . 1 . . . A 38 THR CA . 19627 1 436 . 1 1 38 38 THR CB C 13 72.829 0.160 . 1 . . . A 38 THR CB . 19627 1 437 . 1 1 38 38 THR CG2 C 13 22.265 0.160 . 1 . . . A 38 THR CG2 . 19627 1 438 . 1 1 38 38 THR N N 15 107.877 0.102 . 1 . . . A 38 THR N . 19627 1 439 . 1 1 39 39 TYR H H 1 8.503 0.006 . 1 . . . A 39 TYR H . 19627 1 440 . 1 1 39 39 TYR HA H 1 5.714 0.006 . 1 . . . A 39 TYR HA . 19627 1 441 . 1 1 39 39 TYR HB2 H 1 2.922 0.006 . 1 . . . A 39 TYR HB2 . 19627 1 442 . 1 1 39 39 TYR HB3 H 1 2.922 0.006 . 1 . . . A 39 TYR HB3 . 19627 1 443 . 1 1 39 39 TYR HD1 H 1 6.680 0.006 . 3 . . . A 39 TYR HD1 . 19627 1 444 . 1 1 39 39 TYR HD2 H 1 6.680 0.006 . 3 . . . A 39 TYR HD2 . 19627 1 445 . 1 1 39 39 TYR HE1 H 1 7.081 0.006 . 3 . . . A 39 TYR HE1 . 19627 1 446 . 1 1 39 39 TYR HE2 H 1 7.081 0.006 . 3 . . . A 39 TYR HE2 . 19627 1 447 . 1 1 39 39 TYR CA C 13 55.742 0.160 . 1 . . . A 39 TYR CA . 19627 1 448 . 1 1 39 39 TYR CB C 13 43.579 0.160 . 1 . . . A 39 TYR CB . 19627 1 449 . 1 1 39 39 TYR CD2 C 13 129.570 0.160 . 3 . . . A 39 TYR CD2 . 19627 1 450 . 1 1 39 39 TYR CE2 C 13 115.951 0.160 . 3 . . . A 39 TYR CE2 . 19627 1 451 . 1 1 39 39 TYR N N 15 117.837 0.102 . 1 . . . A 39 TYR N . 19627 1 452 . 1 1 40 40 GLU H H 1 8.816 0.006 . 1 . . . A 40 GLU H . 19627 1 453 . 1 1 40 40 GLU HA H 1 5.253 0.006 . 1 . . . A 40 GLU HA . 19627 1 454 . 1 1 40 40 GLU HB2 H 1 1.779 0.006 . 2 . . . A 40 GLU HB2 . 19627 1 455 . 1 1 40 40 GLU HB3 H 1 1.851 0.006 . 2 . . . A 40 GLU HB3 . 19627 1 456 . 1 1 40 40 GLU HG2 H 1 2.041 0.006 . 1 . . . A 40 GLU HG2 . 19627 1 457 . 1 1 40 40 GLU HG3 H 1 2.041 0.006 . 1 . . . A 40 GLU HG3 . 19627 1 458 . 1 1 40 40 GLU CA C 13 54.059 0.160 . 1 . . . A 40 GLU CA . 19627 1 459 . 1 1 40 40 GLU CB C 13 34.955 0.160 . 1 . . . A 40 GLU CB . 19627 1 460 . 1 1 40 40 GLU CG C 13 36.941 0.160 . 1 . . . A 40 GLU CG . 19627 1 461 . 1 1 40 40 GLU N N 15 118.677 0.102 . 1 . . . A 40 GLU N . 19627 1 462 . 1 1 41 41 VAL H H 1 9.097 0.006 . 1 . . . A 41 VAL H . 19627 1 463 . 1 1 41 41 VAL HA H 1 5.159 0.006 . 1 . . . A 41 VAL HA . 19627 1 464 . 1 1 41 41 VAL HB H 1 1.684 0.006 . 1 . . . A 41 VAL HB . 19627 1 465 . 1 1 41 41 VAL HG11 H 1 0.932 0.006 . 2 . . . A 41 VAL HG11 . 19627 1 466 . 1 1 41 41 VAL HG12 H 1 0.932 0.006 . 2 . . . A 41 VAL HG12 . 19627 1 467 . 1 1 41 41 VAL HG13 H 1 0.932 0.006 . 2 . . . A 41 VAL HG13 . 19627 1 468 . 1 1 41 41 VAL HG21 H 1 0.136 0.006 . 2 . . . A 41 VAL HG21 . 19627 1 469 . 1 1 41 41 VAL HG22 H 1 0.136 0.006 . 2 . . . A 41 VAL HG22 . 19627 1 470 . 1 1 41 41 VAL HG23 H 1 0.136 0.006 . 2 . . . A 41 VAL HG23 . 19627 1 471 . 1 1 41 41 VAL CA C 13 59.540 0.160 . 1 . . . A 41 VAL CA . 19627 1 472 . 1 1 41 41 VAL CB C 13 35.324 0.160 . 1 . . . A 41 VAL CB . 19627 1 473 . 1 1 41 41 VAL CG1 C 13 20.283 0.160 . 2 . . . A 41 VAL CG1 . 19627 1 474 . 1 1 41 41 VAL CG2 C 13 20.948 0.160 . 2 . . . A 41 VAL CG2 . 19627 1 475 . 1 1 41 41 VAL N N 15 121.838 0.102 . 1 . . . A 41 VAL N . 19627 1 476 . 1 1 42 42 TYR H H 1 8.381 0.006 . 1 . . . A 42 TYR H . 19627 1 477 . 1 1 42 42 TYR HA H 1 4.815 0.006 . 1 . . . A 42 TYR HA . 19627 1 478 . 1 1 42 42 TYR HB2 H 1 2.774 0.006 . 2 . . . A 42 TYR HB2 . 19627 1 479 . 1 1 42 42 TYR HB3 H 1 2.625 0.006 . 2 . . . A 42 TYR HB3 . 19627 1 480 . 1 1 42 42 TYR HD1 H 1 6.721 0.006 . 3 . . . A 42 TYR HD1 . 19627 1 481 . 1 1 42 42 TYR HD2 H 1 6.721 0.006 . 3 . . . A 42 TYR HD2 . 19627 1 482 . 1 1 42 42 TYR HE1 H 1 6.526 0.006 . 3 . . . A 42 TYR HE1 . 19627 1 483 . 1 1 42 42 TYR HE2 H 1 6.526 0.006 . 3 . . . A 42 TYR HE2 . 19627 1 484 . 1 1 42 42 TYR CA C 13 56.841 0.160 . 1 . . . A 42 TYR CA . 19627 1 485 . 1 1 42 42 TYR CB C 13 42.293 0.160 . 1 . . . A 42 TYR CB . 19627 1 486 . 1 1 42 42 TYR CD2 C 13 130.162 0.160 . 3 . . . A 42 TYR CD2 . 19627 1 487 . 1 1 42 42 TYR CE2 C 13 115.455 0.160 . 3 . . . A 42 TYR CE2 . 19627 1 488 . 1 1 42 42 TYR N N 15 126.740 0.102 . 1 . . . A 42 TYR N . 19627 1 489 . 1 1 43 43 THR H H 1 7.957 0.006 . 1 . . . A 43 THR H . 19627 1 490 . 1 1 43 43 THR HA H 1 5.126 0.006 . 1 . . . A 43 THR HA . 19627 1 491 . 1 1 43 43 THR HB H 1 3.641 0.006 . 1 . . . A 43 THR HB . 19627 1 492 . 1 1 43 43 THR HG21 H 1 0.980 0.006 . 1 . . . A 43 THR HG21 . 19627 1 493 . 1 1 43 43 THR HG22 H 1 0.980 0.006 . 1 . . . A 43 THR HG22 . 19627 1 494 . 1 1 43 43 THR HG23 H 1 0.980 0.006 . 1 . . . A 43 THR HG23 . 19627 1 495 . 1 1 43 43 THR CA C 13 60.915 0.160 . 1 . . . A 43 THR CA . 19627 1 496 . 1 1 43 43 THR CB C 13 70.667 0.160 . 1 . . . A 43 THR CB . 19627 1 497 . 1 1 43 43 THR CG2 C 13 21.661 0.160 . 1 . . . A 43 THR CG2 . 19627 1 498 . 1 1 43 43 THR N N 15 122.111 0.102 . 1 . . . A 43 THR N . 19627 1 499 . 1 1 44 44 GLY H H 1 8.282 0.006 . 1 . . . A 44 GLY H . 19627 1 500 . 1 1 44 44 GLY HA2 H 1 3.858 . . 2 . . . A 44 GLY HA2 . 19627 1 501 . 1 1 44 44 GLY HA3 H 1 3.796 0.006 . 2 . . . A 44 GLY HA3 . 19627 1 502 . 1 1 44 44 GLY CA C 13 45.038 0.160 . 1 . . . A 44 GLY CA . 19627 1 503 . 1 1 44 44 GLY N N 15 112.123 0.102 . 1 . . . A 44 GLY N . 19627 1 504 . 1 1 45 45 SER H H 1 8.489 0.006 . 1 . . . A 45 SER H . 19627 1 505 . 1 1 45 45 SER HA H 1 4.736 0.006 . 1 . . . A 45 SER HA . 19627 1 506 . 1 1 45 45 SER HB2 H 1 3.818 0.006 . 2 . . . A 45 SER HB2 . 19627 1 507 . 1 1 45 45 SER HB3 H 1 3.755 0.006 . 2 . . . A 45 SER HB3 . 19627 1 508 . 1 1 45 45 SER CA C 13 55.721 0.160 . 1 . . . A 45 SER CA . 19627 1 509 . 1 1 45 45 SER CB C 13 64.234 0.160 . 1 . . . A 45 SER CB . 19627 1 510 . 1 1 45 45 SER N N 15 118.181 0.102 . 1 . . . A 45 SER N . 19627 1 511 . 1 1 46 46 PRO HA H 1 4.278 0.006 . 1 . . . A 46 PRO HA . 19627 1 512 . 1 1 46 46 PRO HB2 H 1 1.760 0.006 . 2 . . . A 46 PRO HB2 . 19627 1 513 . 1 1 46 46 PRO HB3 H 1 2.294 0.006 . 2 . . . A 46 PRO HB3 . 19627 1 514 . 1 1 46 46 PRO HG2 H 1 2.015 0.006 . 2 . . . A 46 PRO HG2 . 19627 1 515 . 1 1 46 46 PRO HG3 H 1 1.906 0.006 . 2 . . . A 46 PRO HG3 . 19627 1 516 . 1 1 46 46 PRO HD2 H 1 3.854 0.006 . 2 . . . A 46 PRO HD2 . 19627 1 517 . 1 1 46 46 PRO HD3 H 1 3.613 0.006 . 2 . . . A 46 PRO HD3 . 19627 1 518 . 1 1 46 46 PRO CA C 13 64.903 0.160 . 1 . . . A 46 PRO CA . 19627 1 519 . 1 1 46 46 PRO CB C 13 32.100 0.160 . 1 . . . A 46 PRO CB . 19627 1 520 . 1 1 46 46 PRO CG C 13 28.085 0.160 . 1 . . . A 46 PRO CG . 19627 1 521 . 1 1 46 46 PRO CD C 13 51.050 0.160 . 1 . . . A 46 PRO CD . 19627 1 522 . 1 1 47 47 LEU H H 1 7.724 0.006 . 1 . . . A 47 LEU H . 19627 1 523 . 1 1 47 47 LEU HA H 1 4.276 0.006 . 1 . . . A 47 LEU HA . 19627 1 524 . 1 1 47 47 LEU HB2 H 1 1.479 0.006 . 2 . . . A 47 LEU HB2 . 19627 1 525 . 1 1 47 47 LEU HB3 H 1 1.528 0.006 . 2 . . . A 47 LEU HB3 . 19627 1 526 . 1 1 47 47 LEU HG H 1 1.453 0.006 . 1 . . . A 47 LEU HG . 19627 1 527 . 1 1 47 47 LEU HD11 H 1 0.808 0.006 . 2 . . . A 47 LEU HD11 . 19627 1 528 . 1 1 47 47 LEU HD12 H 1 0.808 0.006 . 2 . . . A 47 LEU HD12 . 19627 1 529 . 1 1 47 47 LEU HD13 H 1 0.808 0.006 . 2 . . . A 47 LEU HD13 . 19627 1 530 . 1 1 47 47 LEU HD21 H 1 0.752 0.006 . 2 . . . A 47 LEU HD21 . 19627 1 531 . 1 1 47 47 LEU HD22 H 1 0.752 0.006 . 2 . . . A 47 LEU HD22 . 19627 1 532 . 1 1 47 47 LEU HD23 H 1 0.752 0.006 . 2 . . . A 47 LEU HD23 . 19627 1 533 . 1 1 47 47 LEU CA C 13 54.820 0.160 . 1 . . . A 47 LEU CA . 19627 1 534 . 1 1 47 47 LEU CB C 13 42.497 0.160 . 1 . . . A 47 LEU CB . 19627 1 535 . 1 1 47 47 LEU CG C 13 27.361 0.160 . 1 . . . A 47 LEU CG . 19627 1 536 . 1 1 47 47 LEU CD1 C 13 25.248 0.160 . 2 . . . A 47 LEU CD1 . 19627 1 537 . 1 1 47 47 LEU CD2 C 13 23.006 0.160 . 2 . . . A 47 LEU CD2 . 19627 1 538 . 1 1 47 47 LEU N N 15 115.053 0.102 . 1 . . . A 47 LEU N . 19627 1 539 . 1 1 48 48 SER H H 1 7.468 0.006 . 1 . . . A 48 SER H . 19627 1 540 . 1 1 48 48 SER HA H 1 4.418 0.006 . 1 . . . A 48 SER HA . 19627 1 541 . 1 1 48 48 SER HB2 H 1 3.756 0.006 . 2 . . . A 48 SER HB2 . 19627 1 542 . 1 1 48 48 SER HB3 H 1 3.807 0.006 . 2 . . . A 48 SER HB3 . 19627 1 543 . 1 1 48 48 SER CA C 13 57.896 0.160 . 1 . . . A 48 SER CA . 19627 1 544 . 1 1 48 48 SER CB C 13 64.328 0.160 . 1 . . . A 48 SER CB . 19627 1 545 . 1 1 48 48 SER N N 15 114.930 0.102 . 1 . . . A 48 SER N . 19627 1 546 . 1 1 49 49 ASN H H 1 8.561 0.006 . 1 . . . A 49 ASN H . 19627 1 547 . 1 1 49 49 ASN HA H 1 4.683 0.006 . 1 . . . A 49 ASN HA . 19627 1 548 . 1 1 49 49 ASN HB2 H 1 2.710 0.006 . 2 . . . A 49 ASN HB2 . 19627 1 549 . 1 1 49 49 ASN HB3 H 1 2.639 0.006 . 2 . . . A 49 ASN HB3 . 19627 1 550 . 1 1 49 49 ASN HD21 H 1 6.758 0.006 . 2 . . . A 49 ASN HD21 . 19627 1 551 . 1 1 49 49 ASN HD22 H 1 7.428 0.006 . 2 . . . A 49 ASN HD22 . 19627 1 552 . 1 1 49 49 ASN CA C 13 53.247 0.160 . 1 . . . A 49 ASN CA . 19627 1 553 . 1 1 49 49 ASN CB C 13 39.147 0.160 . 1 . . . A 49 ASN CB . 19627 1 554 . 1 1 49 49 ASN N N 15 121.801 0.102 . 1 . . . A 49 ASN N . 19627 1 555 . 1 1 49 49 ASN ND2 N 15 112.533 0.102 . 1 . . . A 49 ASN ND2 . 19627 1 556 . 1 1 50 50 GLY H H 1 7.886 0.006 . 1 . . . A 50 GLY H . 19627 1 557 . 1 1 50 50 GLY HA2 H 1 3.722 . . 2 . . . A 50 GLY HA2 . 19627 1 558 . 1 1 50 50 GLY HA3 H 1 4.131 0.006 . 2 . . . A 50 GLY HA3 . 19627 1 559 . 1 1 50 50 GLY CA C 13 45.049 0.160 . 1 . . . A 50 GLY CA . 19627 1 560 . 1 1 50 50 GLY N N 15 108.685 0.102 . 1 . . . A 50 GLY N . 19627 1 561 . 1 1 51 51 VAL H H 1 8.234 0.006 . 1 . . . A 51 VAL H . 19627 1 562 . 1 1 51 51 VAL HA H 1 4.394 0.006 . 1 . . . A 51 VAL HA . 19627 1 563 . 1 1 51 51 VAL HB H 1 1.965 0.006 . 1 . . . A 51 VAL HB . 19627 1 564 . 1 1 51 51 VAL HG11 H 1 0.899 0.006 . 1 . . . A 51 VAL HG11 . 19627 1 565 . 1 1 51 51 VAL HG12 H 1 0.899 0.006 . 1 . . . A 51 VAL HG12 . 19627 1 566 . 1 1 51 51 VAL HG13 H 1 0.899 0.006 . 1 . . . A 51 VAL HG13 . 19627 1 567 . 1 1 51 51 VAL HG21 H 1 0.899 0.006 . 1 . . . A 51 VAL HG21 . 19627 1 568 . 1 1 51 51 VAL HG22 H 1 0.899 0.006 . 1 . . . A 51 VAL HG22 . 19627 1 569 . 1 1 51 51 VAL HG23 H 1 0.899 0.006 . 1 . . . A 51 VAL HG23 . 19627 1 570 . 1 1 51 51 VAL CA C 13 59.658 0.160 . 1 . . . A 51 VAL CA . 19627 1 571 . 1 1 51 51 VAL CB C 13 33.484 0.160 . 1 . . . A 51 VAL CB . 19627 1 572 . 1 1 51 51 VAL CG1 C 13 20.820 0.160 . 2 . . . A 51 VAL CG1 . 19627 1 573 . 1 1 51 51 VAL CG2 C 13 20.823 0.160 . 2 . . . A 51 VAL CG2 . 19627 1 574 . 1 1 51 51 VAL N N 15 121.162 0.102 . 1 . . . A 51 VAL N . 19627 1 575 . 1 1 52 52 PRO HA H 1 4.661 0.006 . 1 . . . A 52 PRO HA . 19627 1 576 . 1 1 52 52 PRO HB2 H 1 2.014 0.006 . 2 . . . A 52 PRO HB2 . 19627 1 577 . 1 1 52 52 PRO HB3 H 1 1.635 0.006 . 2 . . . A 52 PRO HB3 . 19627 1 578 . 1 1 52 52 PRO HG2 H 1 1.774 0.006 . 2 . . . A 52 PRO HG2 . 19627 1 579 . 1 1 52 52 PRO HG3 H 1 1.838 0.006 . 2 . . . A 52 PRO HG3 . 19627 1 580 . 1 1 52 52 PRO HD2 H 1 3.613 0.006 . 2 . . . A 52 PRO HD2 . 19627 1 581 . 1 1 52 52 PRO HD3 H 1 3.790 0.006 . 2 . . . A 52 PRO HD3 . 19627 1 582 . 1 1 52 52 PRO CA C 13 62.893 0.160 . 1 . . . A 52 PRO CA . 19627 1 583 . 1 1 52 52 PRO CB C 13 32.896 0.160 . 1 . . . A 52 PRO CB . 19627 1 584 . 1 1 52 52 PRO CG C 13 27.290 0.160 . 1 . . . A 52 PRO CG . 19627 1 585 . 1 1 52 52 PRO CD C 13 51.105 0.160 . 1 . . . A 52 PRO CD . 19627 1 586 . 1 1 53 53 PHE H H 1 8.846 0.006 . 1 . . . A 53 PHE H . 19627 1 587 . 1 1 53 53 PHE HA H 1 4.578 0.006 . 1 . . . A 53 PHE HA . 19627 1 588 . 1 1 53 53 PHE HB2 H 1 3.132 0.006 . 2 . . . A 53 PHE HB2 . 19627 1 589 . 1 1 53 53 PHE HB3 H 1 3.026 0.006 . 2 . . . A 53 PHE HB3 . 19627 1 590 . 1 1 53 53 PHE HD1 H 1 7.188 0.006 . 3 . . . A 53 PHE HD1 . 19627 1 591 . 1 1 53 53 PHE HD2 H 1 7.188 0.006 . 3 . . . A 53 PHE HD2 . 19627 1 592 . 1 1 53 53 PHE HE1 H 1 7.384 0.006 . 3 . . . A 53 PHE HE1 . 19627 1 593 . 1 1 53 53 PHE HE2 H 1 7.384 0.006 . 3 . . . A 53 PHE HE2 . 19627 1 594 . 1 1 53 53 PHE HZ H 1 7.340 0.006 . 1 . . . A 53 PHE HZ . 19627 1 595 . 1 1 53 53 PHE CA C 13 57.762 0.160 . 1 . . . A 53 PHE CA . 19627 1 596 . 1 1 53 53 PHE CB C 13 40.652 0.160 . 1 . . . A 53 PHE CB . 19627 1 597 . 1 1 53 53 PHE CD1 C 13 129.239 0.160 . 3 . . . A 53 PHE CD1 . 19627 1 598 . 1 1 53 53 PHE CE1 C 13 128.956 0.160 . 3 . . . A 53 PHE CE1 . 19627 1 599 . 1 1 53 53 PHE CZ C 13 126.798 0.160 . 1 . . . A 53 PHE CZ . 19627 1 600 . 1 1 53 53 PHE N N 15 123.537 0.102 . 1 . . . A 53 PHE N . 19627 1 601 . 1 1 54 54 ARG H H 1 7.776 0.006 . 1 . . . A 54 ARG H . 19627 1 602 . 1 1 54 54 ARG HA H 1 4.894 0.006 . 1 . . . A 54 ARG HA . 19627 1 603 . 1 1 54 54 ARG HB2 H 1 1.718 0.006 . 2 . . . A 54 ARG HB2 . 19627 1 604 . 1 1 54 54 ARG HB3 H 1 1.426 0.006 . 2 . . . A 54 ARG HB3 . 19627 1 605 . 1 1 54 54 ARG HG2 H 1 1.430 0.006 . 1 . . . A 54 ARG HG2 . 19627 1 606 . 1 1 54 54 ARG HG3 H 1 1.430 0.006 . 1 . . . A 54 ARG HG3 . 19627 1 607 . 1 1 54 54 ARG HD2 H 1 3.061 0.006 . 1 . . . A 54 ARG HD2 . 19627 1 608 . 1 1 54 54 ARG HD3 H 1 3.061 0.006 . 1 . . . A 54 ARG HD3 . 19627 1 609 . 1 1 54 54 ARG CA C 13 54.601 0.160 . 1 . . . A 54 ARG CA . 19627 1 610 . 1 1 54 54 ARG CB C 13 33.401 0.160 . 1 . . . A 54 ARG CB . 19627 1 611 . 1 1 54 54 ARG CG C 13 28.520 0.160 . 1 . . . A 54 ARG CG . 19627 1 612 . 1 1 54 54 ARG CD C 13 43.587 0.160 . 1 . . . A 54 ARG CD . 19627 1 613 . 1 1 54 54 ARG N N 15 124.570 0.102 . 1 . . . A 54 ARG N . 19627 1 614 . 1 1 55 55 GLY H H 1 7.142 0.006 . 1 . . . A 55 GLY H . 19627 1 615 . 1 1 55 55 GLY HA2 H 1 4.365 . . 2 . . . A 55 GLY HA2 . 19627 1 616 . 1 1 55 55 GLY HA3 H 1 4.107 0.006 . 2 . . . A 55 GLY HA3 . 19627 1 617 . 1 1 55 55 GLY CA C 13 45.542 0.160 . 1 . . . A 55 GLY CA . 19627 1 618 . 1 1 55 55 GLY N N 15 107.998 0.102 . 1 . . . A 55 GLY N . 19627 1 619 . 1 1 56 56 THR H H 1 8.522 0.006 . 1 . . . A 56 THR H . 19627 1 620 . 1 1 56 56 THR HA H 1 5.777 0.006 . 1 . . . A 56 THR HA . 19627 1 621 . 1 1 56 56 THR HB H 1 4.354 0.006 . 1 . . . A 56 THR HB . 19627 1 622 . 1 1 56 56 THR HG21 H 1 1.121 0.006 . 1 . . . A 56 THR HG21 . 19627 1 623 . 1 1 56 56 THR HG22 H 1 1.121 0.006 . 1 . . . A 56 THR HG22 . 19627 1 624 . 1 1 56 56 THR HG23 H 1 1.121 0.006 . 1 . . . A 56 THR HG23 . 19627 1 625 . 1 1 56 56 THR CA C 13 60.409 0.160 . 1 . . . A 56 THR CA . 19627 1 626 . 1 1 56 56 THR CB C 13 72.641 0.160 . 1 . . . A 56 THR CB . 19627 1 627 . 1 1 56 56 THR CG2 C 13 22.395 0.160 . 1 . . . A 56 THR CG2 . 19627 1 628 . 1 1 56 56 THR N N 15 114.021 0.102 . 1 . . . A 56 THR N . 19627 1 629 . 1 1 57 57 TYR H H 1 8.739 0.006 . 1 . . . A 57 TYR H . 19627 1 630 . 1 1 57 57 TYR HA H 1 6.256 0.006 . 1 . . . A 57 TYR HA . 19627 1 631 . 1 1 57 57 TYR HB2 H 1 2.900 0.006 . 2 . . . A 57 TYR HB2 . 19627 1 632 . 1 1 57 57 TYR HB3 H 1 2.844 0.006 . 2 . . . A 57 TYR HB3 . 19627 1 633 . 1 1 57 57 TYR HD1 H 1 6.808 0.006 . 3 . . . A 57 TYR HD1 . 19627 1 634 . 1 1 57 57 TYR HD2 H 1 6.808 0.006 . 3 . . . A 57 TYR HD2 . 19627 1 635 . 1 1 57 57 TYR CA C 13 55.645 0.160 . 1 . . . A 57 TYR CA . 19627 1 636 . 1 1 57 57 TYR CB C 13 43.352 0.160 . 1 . . . A 57 TYR CB . 19627 1 637 . 1 1 57 57 TYR CD1 C 13 130.714 0.160 . 3 . . . A 57 TYR CD1 . 19627 1 638 . 1 1 57 57 TYR N N 15 115.684 0.102 . 1 . . . A 57 TYR N . 19627 1 639 . 1 1 58 58 ILE H H 1 8.972 0.006 . 1 . . . A 58 ILE H . 19627 1 640 . 1 1 58 58 ILE HA H 1 4.355 0.006 . 1 . . . A 58 ILE HA . 19627 1 641 . 1 1 58 58 ILE HB H 1 1.718 0.006 . 1 . . . A 58 ILE HB . 19627 1 642 . 1 1 58 58 ILE HG12 H 1 1.446 0.006 . 2 . . . A 58 ILE HG12 . 19627 1 643 . 1 1 58 58 ILE HG13 H 1 1.070 0.006 . 2 . . . A 58 ILE HG13 . 19627 1 644 . 1 1 58 58 ILE HG21 H 1 0.824 0.006 . 1 . . . A 58 ILE HG21 . 19627 1 645 . 1 1 58 58 ILE HG22 H 1 0.824 0.006 . 1 . . . A 58 ILE HG22 . 19627 1 646 . 1 1 58 58 ILE HG23 H 1 0.824 0.006 . 1 . . . A 58 ILE HG23 . 19627 1 647 . 1 1 58 58 ILE HD11 H 1 0.702 0.006 . 1 . . . A 58 ILE HD11 . 19627 1 648 . 1 1 58 58 ILE HD12 H 1 0.702 0.006 . 1 . . . A 58 ILE HD12 . 19627 1 649 . 1 1 58 58 ILE HD13 H 1 0.702 0.006 . 1 . . . A 58 ILE HD13 . 19627 1 650 . 1 1 58 58 ILE CA C 13 60.009 0.160 . 1 . . . A 58 ILE CA . 19627 1 651 . 1 1 58 58 ILE CB C 13 42.925 0.160 . 1 . . . A 58 ILE CB . 19627 1 652 . 1 1 58 58 ILE CG1 C 13 27.948 0.160 . 1 . . . A 58 ILE CG1 . 19627 1 653 . 1 1 58 58 ILE CG2 C 13 17.730 0.160 . 1 . . . A 58 ILE CG2 . 19627 1 654 . 1 1 58 58 ILE CD1 C 13 13.408 0.160 . 1 . . . A 58 ILE CD1 . 19627 1 655 . 1 1 58 58 ILE N N 15 118.048 0.102 . 1 . . . A 58 ILE N . 19627 1 656 . 1 1 59 59 ILE H H 1 8.566 0.006 . 1 . . . A 59 ILE H . 19627 1 657 . 1 1 59 59 ILE HA H 1 5.004 0.006 . 1 . . . A 59 ILE HA . 19627 1 658 . 1 1 59 59 ILE HB H 1 1.676 0.006 . 1 . . . A 59 ILE HB . 19627 1 659 . 1 1 59 59 ILE HG12 H 1 1.478 0.006 . 1 . . . A 59 ILE HG12 . 19627 1 660 . 1 1 59 59 ILE HG13 H 1 1.478 0.006 . 1 . . . A 59 ILE HG13 . 19627 1 661 . 1 1 59 59 ILE HG21 H 1 0.727 0.006 . 1 . . . A 59 ILE HG21 . 19627 1 662 . 1 1 59 59 ILE HG22 H 1 0.727 0.006 . 1 . . . A 59 ILE HG22 . 19627 1 663 . 1 1 59 59 ILE HG23 H 1 0.727 0.006 . 1 . . . A 59 ILE HG23 . 19627 1 664 . 1 1 59 59 ILE HD11 H 1 0.698 0.006 . 1 . . . A 59 ILE HD11 . 19627 1 665 . 1 1 59 59 ILE HD12 H 1 0.698 0.006 . 1 . . . A 59 ILE HD12 . 19627 1 666 . 1 1 59 59 ILE HD13 H 1 0.698 0.006 . 1 . . . A 59 ILE HD13 . 19627 1 667 . 1 1 59 59 ILE CA C 13 58.275 0.160 . 1 . . . A 59 ILE CA . 19627 1 668 . 1 1 59 59 ILE CB C 13 40.709 0.160 . 1 . . . A 59 ILE CB . 19627 1 669 . 1 1 59 59 ILE CG1 C 13 27.912 0.160 . 1 . . . A 59 ILE CG1 . 19627 1 670 . 1 1 59 59 ILE CG2 C 13 16.677 0.160 . 1 . . . A 59 ILE CG2 . 19627 1 671 . 1 1 59 59 ILE CD1 C 13 14.010 0.160 . 1 . . . A 59 ILE CD1 . 19627 1 672 . 1 1 59 59 ILE N N 15 124.887 0.102 . 1 . . . A 59 ILE N . 19627 1 673 . 1 1 60 60 SER H H 1 8.913 0.006 . 1 . . . A 60 SER H . 19627 1 674 . 1 1 60 60 SER HA H 1 4.835 0.006 . 1 . . . A 60 SER HA . 19627 1 675 . 1 1 60 60 SER HB2 H 1 3.915 0.006 . 2 . . . A 60 SER HB2 . 19627 1 676 . 1 1 60 60 SER HB3 H 1 3.716 0.006 . 2 . . . A 60 SER HB3 . 19627 1 677 . 1 1 60 60 SER CA C 13 55.735 0.160 . 1 . . . A 60 SER CA . 19627 1 678 . 1 1 60 60 SER CB C 13 63.250 0.160 . 1 . . . A 60 SER CB . 19627 1 679 . 1 1 60 60 SER N N 15 122.768 0.102 . 1 . . . A 60 SER N . 19627 1 680 . 1 1 61 61 LEU H H 1 8.943 0.006 . 1 . . . A 61 LEU H . 19627 1 681 . 1 1 61 61 LEU HA H 1 3.846 0.006 . 1 . . . A 61 LEU HA . 19627 1 682 . 1 1 61 61 LEU HB2 H 1 1.641 0.006 . 1 . . . A 61 LEU HB2 . 19627 1 683 . 1 1 61 61 LEU HB3 H 1 1.641 0.006 . 1 . . . A 61 LEU HB3 . 19627 1 684 . 1 1 61 61 LEU HG H 1 1.641 0.006 . 1 . . . A 61 LEU HG . 19627 1 685 . 1 1 61 61 LEU HD11 H 1 0.907 0.006 . 2 . . . A 61 LEU HD11 . 19627 1 686 . 1 1 61 61 LEU HD12 H 1 0.907 0.006 . 2 . . . A 61 LEU HD12 . 19627 1 687 . 1 1 61 61 LEU HD13 H 1 0.907 0.006 . 2 . . . A 61 LEU HD13 . 19627 1 688 . 1 1 61 61 LEU HD21 H 1 0.853 0.006 . 2 . . . A 61 LEU HD21 . 19627 1 689 . 1 1 61 61 LEU HD22 H 1 0.853 0.006 . 2 . . . A 61 LEU HD22 . 19627 1 690 . 1 1 61 61 LEU HD23 H 1 0.853 0.006 . 2 . . . A 61 LEU HD23 . 19627 1 691 . 1 1 61 61 LEU CA C 13 58.659 0.160 . 1 . . . A 61 LEU CA . 19627 1 692 . 1 1 61 61 LEU CB C 13 41.962 0.160 . 1 . . . A 61 LEU CB . 19627 1 693 . 1 1 61 61 LEU CG C 13 27.350 0.160 . 1 . . . A 61 LEU CG . 19627 1 694 . 1 1 61 61 LEU CD1 C 13 24.563 0.160 . 2 . . . A 61 LEU CD1 . 19627 1 695 . 1 1 61 61 LEU CD2 C 13 24.214 0.160 . 2 . . . A 61 LEU CD2 . 19627 1 696 . 1 1 61 61 LEU N N 15 129.303 0.102 . 1 . . . A 61 LEU N . 19627 1 697 . 1 1 62 62 ASP H H 1 8.630 0.006 . 1 . . . A 62 ASP H . 19627 1 698 . 1 1 62 62 ASP HA H 1 4.303 0.006 . 1 . . . A 62 ASP HA . 19627 1 699 . 1 1 62 62 ASP HB2 H 1 2.535 0.006 . 1 . . . A 62 ASP HB2 . 19627 1 700 . 1 1 62 62 ASP HB3 H 1 2.535 0.006 . 1 . . . A 62 ASP HB3 . 19627 1 701 . 1 1 62 62 ASP CA C 13 57.114 0.160 . 1 . . . A 62 ASP CA . 19627 1 702 . 1 1 62 62 ASP CB C 13 40.178 0.160 . 1 . . . A 62 ASP CB . 19627 1 703 . 1 1 62 62 ASP N N 15 118.454 0.102 . 1 . . . A 62 ASP N . 19627 1 704 . 1 1 63 63 GLU H H 1 7.505 0.006 . 1 . . . A 63 GLU H . 19627 1 705 . 1 1 63 63 GLU HA H 1 4.231 0.006 . 1 . . . A 63 GLU HA . 19627 1 706 . 1 1 63 63 GLU HB2 H 1 2.117 0.006 . 1 . . . A 63 GLU HB2 . 19627 1 707 . 1 1 63 63 GLU HB3 H 1 2.117 0.006 . 1 . . . A 63 GLU HB3 . 19627 1 708 . 1 1 63 63 GLU HG2 H 1 2.128 0.006 . 2 . . . A 63 GLU HG2 . 19627 1 709 . 1 1 63 63 GLU CA C 13 55.915 0.160 . 1 . . . A 63 GLU CA . 19627 1 710 . 1 1 63 63 GLU CB C 13 31.398 0.160 . 1 . . . A 63 GLU CB . 19627 1 711 . 1 1 63 63 GLU CG C 13 37.173 0.160 . 1 . . . A 63 GLU CG . 19627 1 712 . 1 1 63 63 GLU N N 15 115.083 0.102 . 1 . . . A 63 GLU N . 19627 1 713 . 1 1 64 64 LYS H H 1 7.833 0.006 . 1 . . . A 64 LYS H . 19627 1 714 . 1 1 64 64 LYS N N 15 117.578 0.102 . 1 . . . A 64 LYS N . 19627 1 715 . 1 1 65 65 LEU H H 1 7.498 0.006 . 1 . . . A 65 LEU H . 19627 1 716 . 1 1 65 65 LEU HA H 1 5.150 0.006 . 1 . . . A 65 LEU HA . 19627 1 717 . 1 1 65 65 LEU HB2 H 1 1.370 0.006 . 2 . . . A 65 LEU HB2 . 19627 1 718 . 1 1 65 65 LEU HB3 H 1 1.196 0.006 . 2 . . . A 65 LEU HB3 . 19627 1 719 . 1 1 65 65 LEU HG H 1 1.159 0.006 . 1 . . . A 65 LEU HG . 19627 1 720 . 1 1 65 65 LEU HD11 H 1 0.568 0.006 . 2 . . . A 65 LEU HD11 . 19627 1 721 . 1 1 65 65 LEU HD12 H 1 0.568 0.006 . 2 . . . A 65 LEU HD12 . 19627 1 722 . 1 1 65 65 LEU HD13 H 1 0.568 0.006 . 2 . . . A 65 LEU HD13 . 19627 1 723 . 1 1 65 65 LEU HD21 H 1 0.406 0.006 . 2 . . . A 65 LEU HD21 . 19627 1 724 . 1 1 65 65 LEU HD22 H 1 0.406 0.006 . 2 . . . A 65 LEU HD22 . 19627 1 725 . 1 1 65 65 LEU HD23 H 1 0.406 0.006 . 2 . . . A 65 LEU HD23 . 19627 1 726 . 1 1 65 65 LEU CA C 13 53.355 0.160 . 1 . . . A 65 LEU CA . 19627 1 727 . 1 1 65 65 LEU CB C 13 47.627 0.160 . 1 . . . A 65 LEU CB . 19627 1 728 . 1 1 65 65 LEU CG C 13 27.242 0.160 . 1 . . . A 65 LEU CG . 19627 1 729 . 1 1 65 65 LEU CD1 C 13 25.610 0.160 . 2 . . . A 65 LEU CD1 . 19627 1 730 . 1 1 65 65 LEU CD2 C 13 24.079 0.160 . 2 . . . A 65 LEU CD2 . 19627 1 731 . 1 1 65 65 LEU N N 15 119.527 0.102 . 1 . . . A 65 LEU N . 19627 1 732 . 1 1 66 66 ILE H H 1 8.963 0.006 . 1 . . . A 66 ILE H . 19627 1 733 . 1 1 66 66 ILE HA H 1 5.003 0.006 . 1 . . . A 66 ILE HA . 19627 1 734 . 1 1 66 66 ILE HB H 1 1.123 0.006 . 1 . . . A 66 ILE HB . 19627 1 735 . 1 1 66 66 ILE HG12 H 1 0.489 0.006 . 2 . . . A 66 ILE HG12 . 19627 1 736 . 1 1 66 66 ILE HG13 H 1 1.278 0.006 . 2 . . . A 66 ILE HG13 . 19627 1 737 . 1 1 66 66 ILE HG21 H 1 0.179 0.006 . 1 . . . A 66 ILE HG21 . 19627 1 738 . 1 1 66 66 ILE HG22 H 1 0.179 0.006 . 1 . . . A 66 ILE HG22 . 19627 1 739 . 1 1 66 66 ILE HG23 H 1 0.179 0.006 . 1 . . . A 66 ILE HG23 . 19627 1 740 . 1 1 66 66 ILE HD11 H 1 -0.036 0.006 . 1 . . . A 66 ILE HD11 . 19627 1 741 . 1 1 66 66 ILE HD12 H 1 -0.036 0.006 . 1 . . . A 66 ILE HD12 . 19627 1 742 . 1 1 66 66 ILE HD13 H 1 -0.036 0.006 . 1 . . . A 66 ILE HD13 . 19627 1 743 . 1 1 66 66 ILE CA C 13 58.348 0.160 . 1 . . . A 66 ILE CA . 19627 1 744 . 1 1 66 66 ILE CB C 13 42.093 0.160 . 1 . . . A 66 ILE CB . 19627 1 745 . 1 1 66 66 ILE CG1 C 13 28.991 0.160 . 1 . . . A 66 ILE CG1 . 19627 1 746 . 1 1 66 66 ILE CG2 C 13 14.935 0.160 . 1 . . . A 66 ILE CG2 . 19627 1 747 . 1 1 66 66 ILE CD1 C 13 14.850 0.160 . 1 . . . A 66 ILE CD1 . 19627 1 748 . 1 1 66 66 ILE N N 15 123.527 0.102 . 1 . . . A 66 ILE N . 19627 1 749 . 1 1 67 67 LYS H H 1 8.419 0.006 . 1 . . . A 67 LYS H . 19627 1 750 . 1 1 67 67 LYS HA H 1 4.407 0.006 . 1 . . . A 67 LYS HA . 19627 1 751 . 1 1 67 67 LYS HB2 H 1 1.604 0.006 . 2 . . . A 67 LYS HB2 . 19627 1 752 . 1 1 67 67 LYS HB3 H 1 1.407 0.006 . 2 . . . A 67 LYS HB3 . 19627 1 753 . 1 1 67 67 LYS HG2 H 1 1.172 0.006 . 2 . . . A 67 LYS HG2 . 19627 1 754 . 1 1 67 67 LYS HG3 H 1 0.980 0.006 . 2 . . . A 67 LYS HG3 . 19627 1 755 . 1 1 67 67 LYS HD2 H 1 1.387 0.006 . 1 . . . A 67 LYS HD2 . 19627 1 756 . 1 1 67 67 LYS HD3 H 1 1.387 0.006 . 1 . . . A 67 LYS HD3 . 19627 1 757 . 1 1 67 67 LYS HE2 H 1 2.725 0.006 . 1 . . . A 67 LYS HE2 . 19627 1 758 . 1 1 67 67 LYS HE3 H 1 2.725 0.006 . 1 . . . A 67 LYS HE3 . 19627 1 759 . 1 1 67 67 LYS CA C 13 55.282 0.160 . 1 . . . A 67 LYS CA . 19627 1 760 . 1 1 67 67 LYS CB C 13 36.248 0.160 . 1 . . . A 67 LYS CB . 19627 1 761 . 1 1 67 67 LYS CG C 13 25.525 0.160 . 1 . . . A 67 LYS CG . 19627 1 762 . 1 1 67 67 LYS CD C 13 30.377 0.160 . 1 . . . A 67 LYS CD . 19627 1 763 . 1 1 67 67 LYS CE C 13 42.090 0.160 . 1 . . . A 67 LYS CE . 19627 1 764 . 1 1 67 67 LYS N N 15 125.168 0.102 . 1 . . . A 67 LYS N . 19627 1 765 . 1 1 68 68 LEU H H 1 8.534 0.006 . 1 . . . A 68 LEU H . 19627 1 766 . 1 1 68 68 LEU HA H 1 4.798 0.006 . 1 . . . A 68 LEU HA . 19627 1 767 . 1 1 68 68 LEU HB2 H 1 1.485 0.006 . 2 . . . A 68 LEU HB2 . 19627 1 768 . 1 1 68 68 LEU HB3 H 1 1.427 0.006 . 2 . . . A 68 LEU HB3 . 19627 1 769 . 1 1 68 68 LEU HG H 1 0.939 0.006 . 1 . . . A 68 LEU HG . 19627 1 770 . 1 1 68 68 LEU HD11 H 1 0.422 0.006 . 2 . . . A 68 LEU HD11 . 19627 1 771 . 1 1 68 68 LEU HD12 H 1 0.422 0.006 . 2 . . . A 68 LEU HD12 . 19627 1 772 . 1 1 68 68 LEU HD13 H 1 0.422 0.006 . 2 . . . A 68 LEU HD13 . 19627 1 773 . 1 1 68 68 LEU HD21 H 1 0.188 0.006 . 2 . . . A 68 LEU HD21 . 19627 1 774 . 1 1 68 68 LEU HD22 H 1 0.188 0.006 . 2 . . . A 68 LEU HD22 . 19627 1 775 . 1 1 68 68 LEU HD23 H 1 0.188 0.006 . 2 . . . A 68 LEU HD23 . 19627 1 776 . 1 1 68 68 LEU CA C 13 54.830 0.160 . 1 . . . A 68 LEU CA . 19627 1 777 . 1 1 68 68 LEU CB C 13 40.826 0.160 . 1 . . . A 68 LEU CB . 19627 1 778 . 1 1 68 68 LEU CG C 13 28.940 0.160 . 1 . . . A 68 LEU CG . 19627 1 779 . 1 1 68 68 LEU CD1 C 13 25.191 0.160 . 2 . . . A 68 LEU CD1 . 19627 1 780 . 1 1 68 68 LEU CD2 C 13 25.279 0.160 . 2 . . . A 68 LEU CD2 . 19627 1 781 . 1 1 68 68 LEU N N 15 123.218 0.102 . 1 . . . A 68 LEU N . 19627 1 782 . 1 1 69 69 TYR H H 1 9.511 0.006 . 1 . . . A 69 TYR H . 19627 1 783 . 1 1 69 69 TYR HA H 1 5.424 0.006 . 1 . . . A 69 TYR HA . 19627 1 784 . 1 1 69 69 TYR HB2 H 1 3.115 0.006 . 2 . . . A 69 TYR HB2 . 19627 1 785 . 1 1 69 69 TYR HB3 H 1 2.782 0.006 . 2 . . . A 69 TYR HB3 . 19627 1 786 . 1 1 69 69 TYR HD1 H 1 6.721 0.006 . 3 . . . A 69 TYR HD1 . 19627 1 787 . 1 1 69 69 TYR HD2 H 1 6.721 0.006 . 3 . . . A 69 TYR HD2 . 19627 1 788 . 1 1 69 69 TYR HE1 H 1 6.523 0.006 . 3 . . . A 69 TYR HE1 . 19627 1 789 . 1 1 69 69 TYR HE2 H 1 6.523 0.006 . 3 . . . A 69 TYR HE2 . 19627 1 790 . 1 1 69 69 TYR CA C 13 57.166 0.160 . 1 . . . A 69 TYR CA . 19627 1 791 . 1 1 69 69 TYR CB C 13 42.319 0.160 . 1 . . . A 69 TYR CB . 19627 1 792 . 1 1 69 69 TYR CD1 C 13 129.971 0.160 . 3 . . . A 69 TYR CD1 . 19627 1 793 . 1 1 69 69 TYR CE1 C 13 115.140 0.160 . 3 . . . A 69 TYR CE1 . 19627 1 794 . 1 1 69 69 TYR N N 15 119.751 0.102 . 1 . . . A 69 TYR N . 19627 1 795 . 1 1 70 70 ASP H H 1 8.707 0.006 . 1 . . . A 70 ASP H . 19627 1 796 . 1 1 70 70 ASP HA H 1 5.042 0.006 . 1 . . . A 70 ASP HA . 19627 1 797 . 1 1 70 70 ASP HB2 H 1 3.563 0.006 . 2 . . . A 70 ASP HB2 . 19627 1 798 . 1 1 70 70 ASP HB3 H 1 2.933 0.006 . 2 . . . A 70 ASP HB3 . 19627 1 799 . 1 1 70 70 ASP CA C 13 52.428 0.160 . 1 . . . A 70 ASP CA . 19627 1 800 . 1 1 70 70 ASP CB C 13 42.210 0.160 . 1 . . . A 70 ASP CB . 19627 1 801 . 1 1 70 70 ASP N N 15 120.335 0.102 . 1 . . . A 70 ASP N . 19627 1 802 . 1 1 71 71 LYS H H 1 8.553 0.006 . 1 . . . A 71 LYS H . 19627 1 803 . 1 1 71 71 LYS HA H 1 4.205 0.006 . 1 . . . A 71 LYS HA . 19627 1 804 . 1 1 71 71 LYS HB2 H 1 1.889 0.006 . 1 . . . A 71 LYS HB2 . 19627 1 805 . 1 1 71 71 LYS HB3 H 1 1.889 0.006 . 1 . . . A 71 LYS HB3 . 19627 1 806 . 1 1 71 71 LYS HG2 H 1 1.453 0.006 . 2 . . . A 71 LYS HG2 . 19627 1 807 . 1 1 71 71 LYS HG3 H 1 1.397 0.006 . 2 . . . A 71 LYS HG3 . 19627 1 808 . 1 1 71 71 LYS HD2 H 1 1.617 0.006 . 1 . . . A 71 LYS HD2 . 19627 1 809 . 1 1 71 71 LYS HD3 H 1 1.617 0.006 . 1 . . . A 71 LYS HD3 . 19627 1 810 . 1 1 71 71 LYS HE2 H 1 2.902 0.006 . 1 . . . A 71 LYS HE2 . 19627 1 811 . 1 1 71 71 LYS HE3 H 1 2.902 0.006 . 1 . . . A 71 LYS HE3 . 19627 1 812 . 1 1 71 71 LYS CA C 13 58.189 0.160 . 1 . . . A 71 LYS CA . 19627 1 813 . 1 1 71 71 LYS CB C 13 32.224 0.160 . 1 . . . A 71 LYS CB . 19627 1 814 . 1 1 71 71 LYS CG C 13 24.829 0.160 . 1 . . . A 71 LYS CG . 19627 1 815 . 1 1 71 71 LYS CD C 13 29.308 0.160 . 1 . . . A 71 LYS CD . 19627 1 816 . 1 1 71 71 LYS CE C 13 42.233 0.160 . 1 . . . A 71 LYS CE . 19627 1 817 . 1 1 71 71 LYS N N 15 117.975 0.102 . 1 . . . A 71 LYS N . 19627 1 818 . 1 1 72 72 GLU H H 1 8.067 0.006 . 1 . . . A 72 GLU H . 19627 1 819 . 1 1 72 72 GLU HA H 1 4.276 0.006 . 1 . . . A 72 GLU HA . 19627 1 820 . 1 1 72 72 GLU HB2 H 1 1.698 0.006 . 2 . . . A 72 GLU HB2 . 19627 1 821 . 1 1 72 72 GLU HB3 H 1 2.018 0.006 . 2 . . . A 72 GLU HB3 . 19627 1 822 . 1 1 72 72 GLU HG2 H 1 2.116 0.006 . 1 . . . A 72 GLU HG2 . 19627 1 823 . 1 1 72 72 GLU HG3 H 1 2.116 0.006 . 1 . . . A 72 GLU HG3 . 19627 1 824 . 1 1 72 72 GLU CA C 13 55.823 0.160 . 1 . . . A 72 GLU CA . 19627 1 825 . 1 1 72 72 GLU CB C 13 29.639 0.160 . 1 . . . A 72 GLU CB . 19627 1 826 . 1 1 72 72 GLU CG C 13 37.121 0.160 . 1 . . . A 72 GLU CG . 19627 1 827 . 1 1 72 72 GLU N N 15 119.779 0.102 . 1 . . . A 72 GLU N . 19627 1 828 . 1 1 73 73 GLU H H 1 8.163 0.006 . 1 . . . A 73 GLU H . 19627 1 829 . 1 1 73 73 GLU HA H 1 3.606 0.006 . 1 . . . A 73 GLU HA . 19627 1 830 . 1 1 73 73 GLU HB2 H 1 2.051 0.006 . 2 . . . A 73 GLU HB2 . 19627 1 831 . 1 1 73 73 GLU HB3 H 1 2.098 0.006 . 2 . . . A 73 GLU HB3 . 19627 1 832 . 1 1 73 73 GLU HG2 H 1 1.946 0.006 . 1 . . . A 73 GLU HG2 . 19627 1 833 . 1 1 73 73 GLU HG3 H 1 1.946 0.006 . 1 . . . A 73 GLU HG3 . 19627 1 834 . 1 1 73 73 GLU CA C 13 58.091 0.160 . 1 . . . A 73 GLU CA . 19627 1 835 . 1 1 73 73 GLU CB C 13 26.900 0.160 . 1 . . . A 73 GLU CB . 19627 1 836 . 1 1 73 73 GLU CG C 13 36.945 0.160 . 1 . . . A 73 GLU CG . 19627 1 837 . 1 1 73 73 GLU N N 15 112.572 0.102 . 1 . . . A 73 GLU N . 19627 1 838 . 1 1 74 74 HIS H H 1 8.663 0.006 . 1 . . . A 74 HIS H . 19627 1 839 . 1 1 74 74 HIS HA H 1 4.872 0.006 . 1 . . . A 74 HIS HA . 19627 1 840 . 1 1 74 74 HIS HB2 H 1 3.237 0.006 . 2 . . . A 74 HIS HB2 . 19627 1 841 . 1 1 74 74 HIS HB3 H 1 3.201 0.006 . 2 . . . A 74 HIS HB3 . 19627 1 842 . 1 1 74 74 HIS HD2 H 1 7.165 0.006 . 1 . . . A 74 HIS HD2 . 19627 1 843 . 1 1 74 74 HIS HE1 H 1 8.470 0.006 . 1 . . . A 74 HIS HE1 . 19627 1 844 . 1 1 74 74 HIS CA C 13 54.491 0.160 . 1 . . . A 74 HIS CA . 19627 1 845 . 1 1 74 74 HIS CB C 13 28.650 0.160 . 1 . . . A 74 HIS CB . 19627 1 846 . 1 1 74 74 HIS CD2 C 13 116.752 0.160 . 1 . . . A 74 HIS CD2 . 19627 1 847 . 1 1 74 74 HIS CE1 C 13 132.728 0.160 . 1 . . . A 74 HIS CE1 . 19627 1 848 . 1 1 74 74 HIS N N 15 118.561 0.102 . 1 . . . A 74 HIS N . 19627 1 849 . 1 1 75 75 CYS H H 1 8.939 0.006 . 1 . . . A 75 CYS H . 19627 1 850 . 1 1 75 75 CYS HA H 1 4.050 0.006 . 1 . . . A 75 CYS HA . 19627 1 851 . 1 1 75 75 CYS HB2 H 1 2.378 0.006 . 2 . . . A 75 CYS HB2 . 19627 1 852 . 1 1 75 75 CYS CA C 13 58.539 0.160 . 1 . . . A 75 CYS CA . 19627 1 853 . 1 1 75 75 CYS CB C 13 26.305 0.160 . 1 . . . A 75 CYS CB . 19627 1 854 . 1 1 75 75 CYS N N 15 126.459 0.102 . 1 . . . A 75 CYS N . 19627 1 855 . 1 1 76 76 THR H H 1 9.052 0.006 . 1 . . . A 76 THR H . 19627 1 856 . 1 1 76 76 THR HA H 1 4.115 0.006 . 1 . . . A 76 THR HA . 19627 1 857 . 1 1 76 76 THR HB H 1 4.058 0.006 . 1 . . . A 76 THR HB . 19627 1 858 . 1 1 76 76 THR HG21 H 1 1.219 0.006 . 1 . . . A 76 THR HG21 . 19627 1 859 . 1 1 76 76 THR HG22 H 1 1.219 0.006 . 1 . . . A 76 THR HG22 . 19627 1 860 . 1 1 76 76 THR HG23 H 1 1.219 0.006 . 1 . . . A 76 THR HG23 . 19627 1 861 . 1 1 76 76 THR CA C 13 62.701 0.160 . 1 . . . A 76 THR CA . 19627 1 862 . 1 1 76 76 THR CB C 13 68.451 0.160 . 1 . . . A 76 THR CB . 19627 1 863 . 1 1 76 76 THR CG2 C 13 24.006 0.160 . 1 . . . A 76 THR CG2 . 19627 1 864 . 1 1 76 76 THR N N 15 123.868 0.102 . 1 . . . A 76 THR N . 19627 1 865 . 1 1 77 77 GLU H H 1 7.257 0.006 . 1 . . . A 77 GLU H . 19627 1 866 . 1 1 77 77 GLU HA H 1 4.175 0.006 . 1 . . . A 77 GLU HA . 19627 1 867 . 1 1 77 77 GLU HB2 H 1 1.914 0.006 . 2 . . . A 77 GLU HB2 . 19627 1 868 . 1 1 77 77 GLU HB3 H 1 1.456 0.006 . 2 . . . A 77 GLU HB3 . 19627 1 869 . 1 1 77 77 GLU HG2 H 1 2.194 0.006 . 1 . . . A 77 GLU HG2 . 19627 1 870 . 1 1 77 77 GLU HG3 H 1 2.194 0.006 . 1 . . . A 77 GLU HG3 . 19627 1 871 . 1 1 77 77 GLU CA C 13 54.697 0.160 . 1 . . . A 77 GLU CA . 19627 1 872 . 1 1 77 77 GLU CB C 13 34.100 0.160 . 1 . . . A 77 GLU CB . 19627 1 873 . 1 1 77 77 GLU CG C 13 36.378 0.160 . 1 . . . A 77 GLU CG . 19627 1 874 . 1 1 77 77 GLU N N 15 120.185 0.102 . 1 . . . A 77 GLU N . 19627 1 875 . 1 1 78 78 GLN H H 1 8.845 0.006 . 1 . . . A 78 GLN H . 19627 1 876 . 1 1 78 78 GLN HA H 1 4.697 0.006 . 1 . . . A 78 GLN HA . 19627 1 877 . 1 1 78 78 GLN HB2 H 1 1.624 0.006 . 2 . . . A 78 GLN HB2 . 19627 1 878 . 1 1 78 78 GLN HB3 H 1 1.434 0.006 . 2 . . . A 78 GLN HB3 . 19627 1 879 . 1 1 78 78 GLN HG2 H 1 1.816 0.006 . 2 . . . A 78 GLN HG2 . 19627 1 880 . 1 1 78 78 GLN HG3 H 1 1.904 0.006 . 2 . . . A 78 GLN HG3 . 19627 1 881 . 1 1 78 78 GLN HE21 H 1 7.249 0.006 . 2 . . . A 78 GLN HE21 . 19627 1 882 . 1 1 78 78 GLN HE22 H 1 6.418 0.006 . 2 . . . A 78 GLN HE22 . 19627 1 883 . 1 1 78 78 GLN CA C 13 53.933 0.160 . 1 . . . A 78 GLN CA . 19627 1 884 . 1 1 78 78 GLN CB C 13 31.842 0.160 . 1 . . . A 78 GLN CB . 19627 1 885 . 1 1 78 78 GLN CG C 13 33.276 0.160 . 1 . . . A 78 GLN CG . 19627 1 886 . 1 1 78 78 GLN N N 15 118.401 0.102 . 1 . . . A 78 GLN N . 19627 1 887 . 1 1 78 78 GLN NE2 N 15 110.657 0.102 . 1 . . . A 78 GLN NE2 . 19627 1 888 . 1 1 79 79 TYR H H 1 8.302 0.006 . 1 . . . A 79 TYR H . 19627 1 889 . 1 1 79 79 TYR HA H 1 4.850 0.006 . 1 . . . A 79 TYR HA . 19627 1 890 . 1 1 79 79 TYR HB2 H 1 2.107 0.006 . 2 . . . A 79 TYR HB2 . 19627 1 891 . 1 1 79 79 TYR HB3 H 1 1.137 0.006 . 2 . . . A 79 TYR HB3 . 19627 1 892 . 1 1 79 79 TYR CA C 13 55.999 0.160 . 1 . . . A 79 TYR CA . 19627 1 893 . 1 1 79 79 TYR CB C 13 41.813 0.160 . 1 . . . A 79 TYR CB . 19627 1 894 . 1 1 79 79 TYR N N 15 116.069 0.102 . 1 . . . A 79 TYR N . 19627 1 895 . 1 1 80 80 HIS H H 1 9.440 0.006 . 1 . . . A 80 HIS H . 19627 1 896 . 1 1 80 80 HIS HA H 1 5.173 0.006 . 1 . . . A 80 HIS HA . 19627 1 897 . 1 1 80 80 HIS HB2 H 1 3.203 0.006 . 2 . . . A 80 HIS HB2 . 19627 1 898 . 1 1 80 80 HIS HB3 H 1 2.997 0.006 . 2 . . . A 80 HIS HB3 . 19627 1 899 . 1 1 80 80 HIS HD2 H 1 7.231 0.006 . 1 . . . A 80 HIS HD2 . 19627 1 900 . 1 1 80 80 HIS HE1 H 1 8.530 0.006 . 1 . . . A 80 HIS HE1 . 19627 1 901 . 1 1 80 80 HIS CA C 13 55.121 0.160 . 1 . . . A 80 HIS CA . 19627 1 902 . 1 1 80 80 HIS CB C 13 29.720 0.160 . 1 . . . A 80 HIS CB . 19627 1 903 . 1 1 80 80 HIS CD2 C 13 117.086 0.160 . 1 . . . A 80 HIS CD2 . 19627 1 904 . 1 1 80 80 HIS CE1 C 13 133.726 0.160 . 1 . . . A 80 HIS CE1 . 19627 1 905 . 1 1 80 80 HIS N N 15 119.747 0.102 . 1 . . . A 80 HIS N . 19627 1 906 . 1 1 81 81 ILE H H 1 8.971 0.006 . 1 . . . A 81 ILE H . 19627 1 907 . 1 1 81 81 ILE HA H 1 4.220 0.006 . 1 . . . A 81 ILE HA . 19627 1 908 . 1 1 81 81 ILE HB H 1 1.524 0.006 . 1 . . . A 81 ILE HB . 19627 1 909 . 1 1 81 81 ILE HG12 H 1 1.415 0.006 . 2 . . . A 81 ILE HG12 . 19627 1 910 . 1 1 81 81 ILE HG13 H 1 0.517 0.006 . 2 . . . A 81 ILE HG13 . 19627 1 911 . 1 1 81 81 ILE HG21 H 1 0.665 0.006 . 1 . . . A 81 ILE HG21 . 19627 1 912 . 1 1 81 81 ILE HG22 H 1 0.665 0.006 . 1 . . . A 81 ILE HG22 . 19627 1 913 . 1 1 81 81 ILE HG23 H 1 0.665 0.006 . 1 . . . A 81 ILE HG23 . 19627 1 914 . 1 1 81 81 ILE HD11 H 1 0.419 0.006 . 1 . . . A 81 ILE HD11 . 19627 1 915 . 1 1 81 81 ILE HD12 H 1 0.419 0.006 . 1 . . . A 81 ILE HD12 . 19627 1 916 . 1 1 81 81 ILE HD13 H 1 0.419 0.006 . 1 . . . A 81 ILE HD13 . 19627 1 917 . 1 1 81 81 ILE CA C 13 61.739 0.160 . 1 . . . A 81 ILE CA . 19627 1 918 . 1 1 81 81 ILE CB C 13 38.354 0.160 . 1 . . . A 81 ILE CB . 19627 1 919 . 1 1 81 81 ILE CG1 C 13 27.429 0.160 . 1 . . . A 81 ILE CG1 . 19627 1 920 . 1 1 81 81 ILE CG2 C 13 20.222 0.160 . 1 . . . A 81 ILE CG2 . 19627 1 921 . 1 1 81 81 ILE CD1 C 13 13.377 0.160 . 1 . . . A 81 ILE CD1 . 19627 1 922 . 1 1 81 81 ILE N N 15 126.268 0.102 . 1 . . . A 81 ILE N . 19627 1 923 . 1 1 82 82 LEU H H 1 8.274 0.006 . 1 . . . A 82 LEU H . 19627 1 924 . 1 1 82 82 LEU HA H 1 4.094 0.006 . 1 . . . A 82 LEU HA . 19627 1 925 . 1 1 82 82 LEU HB2 H 1 1.266 0.006 . 2 . . . A 82 LEU HB2 . 19627 1 926 . 1 1 82 82 LEU HB3 H 1 1.526 0.006 . 2 . . . A 82 LEU HB3 . 19627 1 927 . 1 1 82 82 LEU HG H 1 1.480 0.006 . 1 . . . A 82 LEU HG . 19627 1 928 . 1 1 82 82 LEU HD11 H 1 0.625 0.006 . 2 . . . A 82 LEU HD11 . 19627 1 929 . 1 1 82 82 LEU HD12 H 1 0.625 0.006 . 2 . . . A 82 LEU HD12 . 19627 1 930 . 1 1 82 82 LEU HD13 H 1 0.625 0.006 . 2 . . . A 82 LEU HD13 . 19627 1 931 . 1 1 82 82 LEU HD21 H 1 0.775 0.006 . 2 . . . A 82 LEU HD21 . 19627 1 932 . 1 1 82 82 LEU HD22 H 1 0.775 0.006 . 2 . . . A 82 LEU HD22 . 19627 1 933 . 1 1 82 82 LEU HD23 H 1 0.775 0.006 . 2 . . . A 82 LEU HD23 . 19627 1 934 . 1 1 82 82 LEU CA C 13 55.392 0.160 . 1 . . . A 82 LEU CA . 19627 1 935 . 1 1 82 82 LEU CB C 13 43.115 0.160 . 1 . . . A 82 LEU CB . 19627 1 936 . 1 1 82 82 LEU CG C 13 27.797 0.160 . 1 . . . A 82 LEU CG . 19627 1 937 . 1 1 82 82 LEU CD1 C 13 22.764 0.160 . 2 . . . A 82 LEU CD1 . 19627 1 938 . 1 1 82 82 LEU CD2 C 13 25.676 0.160 . 2 . . . A 82 LEU CD2 . 19627 1 939 . 1 1 82 82 LEU N N 15 127.552 0.102 . 1 . . . A 82 LEU N . 19627 1 940 . 1 1 83 83 LYS H H 1 7.208 0.006 . 1 . . . A 83 LYS H . 19627 1 941 . 1 1 83 83 LYS HA H 1 4.200 0.006 . 1 . . . A 83 LYS HA . 19627 1 942 . 1 1 83 83 LYS HB2 H 1 1.891 0.006 . 2 . . . A 83 LYS HB2 . 19627 1 943 . 1 1 83 83 LYS HB3 H 1 1.200 0.006 . 2 . . . A 83 LYS HB3 . 19627 1 944 . 1 1 83 83 LYS HG2 H 1 1.204 0.006 . 2 . . . A 83 LYS HG2 . 19627 1 945 . 1 1 83 83 LYS HG3 H 1 1.444 0.006 . 2 . . . A 83 LYS HG3 . 19627 1 946 . 1 1 83 83 LYS HD2 H 1 1.623 0.006 . 2 . . . A 83 LYS HD2 . 19627 1 947 . 1 1 83 83 LYS HD3 H 1 1.390 0.006 . 2 . . . A 83 LYS HD3 . 19627 1 948 . 1 1 83 83 LYS HE2 H 1 2.974 0.006 . 2 . . . A 83 LYS HE2 . 19627 1 949 . 1 1 83 83 LYS HE3 H 1 2.775 0.006 . 2 . . . A 83 LYS HE3 . 19627 1 950 . 1 1 83 83 LYS CA C 13 55.693 0.160 . 1 . . . A 83 LYS CA . 19627 1 951 . 1 1 83 83 LYS CB C 13 36.922 0.160 . 1 . . . A 83 LYS CB . 19627 1 952 . 1 1 83 83 LYS CG C 13 25.834 0.160 . 1 . . . A 83 LYS CG . 19627 1 953 . 1 1 83 83 LYS CD C 13 30.483 0.160 . 1 . . . A 83 LYS CD . 19627 1 954 . 1 1 83 83 LYS CE C 13 42.977 0.160 . 1 . . . A 83 LYS CE . 19627 1 955 . 1 1 83 83 LYS N N 15 115.809 0.102 . 1 . . . A 83 LYS N . 19627 1 956 . 1 1 84 84 LEU H H 1 9.677 0.006 . 1 . . . A 84 LEU H . 19627 1 957 . 1 1 84 84 LEU HA H 1 4.834 0.006 . 1 . . . A 84 LEU HA . 19627 1 958 . 1 1 84 84 LEU HB2 H 1 1.446 0.006 . 2 . . . A 84 LEU HB2 . 19627 1 959 . 1 1 84 84 LEU HB3 H 1 1.480 0.006 . 2 . . . A 84 LEU HB3 . 19627 1 960 . 1 1 84 84 LEU HD11 H 1 0.612 0.006 . 2 . . . A 84 LEU HD11 . 19627 1 961 . 1 1 84 84 LEU HD12 H 1 0.612 0.006 . 2 . . . A 84 LEU HD12 . 19627 1 962 . 1 1 84 84 LEU HD13 H 1 0.612 0.006 . 2 . . . A 84 LEU HD13 . 19627 1 963 . 1 1 84 84 LEU HD21 H 1 0.838 0.006 . 2 . . . A 84 LEU HD21 . 19627 1 964 . 1 1 84 84 LEU HD22 H 1 0.838 0.006 . 2 . . . A 84 LEU HD22 . 19627 1 965 . 1 1 84 84 LEU HD23 H 1 0.838 0.006 . 2 . . . A 84 LEU HD23 . 19627 1 966 . 1 1 84 84 LEU CA C 13 53.614 0.160 . 1 . . . A 84 LEU CA . 19627 1 967 . 1 1 84 84 LEU CB C 13 43.767 0.160 . 1 . . . A 84 LEU CB . 19627 1 968 . 1 1 84 84 LEU CD1 C 13 26.856 0.160 . 2 . . . A 84 LEU CD1 . 19627 1 969 . 1 1 84 84 LEU CD2 C 13 24.425 0.160 . 2 . . . A 84 LEU CD2 . 19627 1 970 . 1 1 84 84 LEU N N 15 129.953 0.102 . 1 . . . A 84 LEU N . 19627 1 971 . 1 1 85 85 THR H H 1 9.203 0.006 . 1 . . . A 85 THR H . 19627 1 972 . 1 1 85 85 THR HA H 1 4.897 0.006 . 1 . . . A 85 THR HA . 19627 1 973 . 1 1 85 85 THR HG21 H 1 1.194 0.006 . 1 . . . A 85 THR HG21 . 19627 1 974 . 1 1 85 85 THR HG22 H 1 1.194 0.006 . 1 . . . A 85 THR HG22 . 19627 1 975 . 1 1 85 85 THR HG23 H 1 1.194 0.006 . 1 . . . A 85 THR HG23 . 19627 1 976 . 1 1 85 85 THR CA C 13 58.717 0.160 . 1 . . . A 85 THR CA . 19627 1 977 . 1 1 85 85 THR CB C 13 72.356 0.160 . 1 . . . A 85 THR CB . 19627 1 978 . 1 1 85 85 THR CG2 C 13 22.661 0.160 . 1 . . . A 85 THR CG2 . 19627 1 979 . 1 1 85 85 THR N N 15 119.648 0.102 . 1 . . . A 85 THR N . 19627 1 980 . 1 1 86 86 SER H H 1 8.457 0.006 . 1 . . . A 86 SER H . 19627 1 981 . 1 1 86 86 SER HA H 1 4.165 0.006 . 1 . . . A 86 SER HA . 19627 1 982 . 1 1 86 86 SER HB2 H 1 3.913 0.006 . 2 . . . A 86 SER HB2 . 19627 1 983 . 1 1 86 86 SER HB3 H 1 3.781 0.006 . 2 . . . A 86 SER HB3 . 19627 1 984 . 1 1 86 86 SER CA C 13 60.370 0.160 . 1 . . . A 86 SER CA . 19627 1 985 . 1 1 86 86 SER CB C 13 63.258 0.160 . 1 . . . A 86 SER CB . 19627 1 986 . 1 1 86 86 SER N N 15 108.790 0.102 . 1 . . . A 86 SER N . 19627 1 987 . 1 1 87 87 LYS H H 1 7.873 0.006 . 1 . . . A 87 LYS H . 19627 1 988 . 1 1 87 87 LYS HA H 1 4.514 0.006 . 1 . . . A 87 LYS HA . 19627 1 989 . 1 1 87 87 LYS HB2 H 1 1.809 0.006 . 2 . . . A 87 LYS HB2 . 19627 1 990 . 1 1 87 87 LYS HB3 H 1 1.584 0.006 . 2 . . . A 87 LYS HB3 . 19627 1 991 . 1 1 87 87 LYS HG2 H 1 1.294 0.006 . 2 . . . A 87 LYS HG2 . 19627 1 992 . 1 1 87 87 LYS HG3 H 1 1.366 0.006 . 2 . . . A 87 LYS HG3 . 19627 1 993 . 1 1 87 87 LYS HD2 H 1 1.575 0.006 . 1 . . . A 87 LYS HD2 . 19627 1 994 . 1 1 87 87 LYS HD3 H 1 1.575 0.006 . 1 . . . A 87 LYS HD3 . 19627 1 995 . 1 1 87 87 LYS HE2 H 1 2.867 0.006 . 1 . . . A 87 LYS HE2 . 19627 1 996 . 1 1 87 87 LYS HE3 H 1 2.867 0.006 . 1 . . . A 87 LYS HE3 . 19627 1 997 . 1 1 87 87 LYS CA C 13 56.479 0.160 . 1 . . . A 87 LYS CA . 19627 1 998 . 1 1 87 87 LYS CB C 13 36.364 0.160 . 1 . . . A 87 LYS CB . 19627 1 999 . 1 1 87 87 LYS CG C 13 25.000 0.160 . 1 . . . A 87 LYS CG . 19627 1 1000 . 1 1 87 87 LYS CD C 13 29.140 0.160 . 1 . . . A 87 LYS CD . 19627 1 1001 . 1 1 87 87 LYS CE C 13 42.226 0.160 . 1 . . . A 87 LYS CE . 19627 1 1002 . 1 1 87 87 LYS N N 15 116.161 0.102 . 1 . . . A 87 LYS N . 19627 1 1003 . 1 1 88 88 GLU H H 1 7.879 0.006 . 1 . . . A 88 GLU H . 19627 1 1004 . 1 1 88 88 GLU HA H 1 5.463 0.006 . 1 . . . A 88 GLU HA . 19627 1 1005 . 1 1 88 88 GLU HB2 H 1 1.876 0.006 . 2 . . . A 88 GLU HB2 . 19627 1 1006 . 1 1 88 88 GLU HB3 H 1 1.816 0.006 . 2 . . . A 88 GLU HB3 . 19627 1 1007 . 1 1 88 88 GLU HG2 H 1 1.970 0.006 . 2 . . . A 88 GLU HG2 . 19627 1 1008 . 1 1 88 88 GLU HG3 H 1 2.132 0.006 . 2 . . . A 88 GLU HG3 . 19627 1 1009 . 1 1 88 88 GLU CA C 13 55.595 0.160 . 1 . . . A 88 GLU CA . 19627 1 1010 . 1 1 88 88 GLU CB C 13 35.601 0.160 . 1 . . . A 88 GLU CB . 19627 1 1011 . 1 1 88 88 GLU CG C 13 37.546 0.160 . 1 . . . A 88 GLU CG . 19627 1 1012 . 1 1 88 88 GLU N N 15 119.485 0.102 . 1 . . . A 88 GLU N . 19627 1 1013 . 1 1 89 89 MET H H 1 8.577 0.006 . 1 . . . A 89 MET H . 19627 1 1014 . 1 1 89 89 MET HA H 1 4.940 0.006 . 1 . . . A 89 MET HA . 19627 1 1015 . 1 1 89 89 MET HB2 H 1 0.989 0.006 . 2 . . . A 89 MET HB2 . 19627 1 1016 . 1 1 89 89 MET HB3 H 1 0.719 0.006 . 2 . . . A 89 MET HB3 . 19627 1 1017 . 1 1 89 89 MET HG2 H 1 1.219 0.006 . 2 . . . A 89 MET HG2 . 19627 1 1018 . 1 1 89 89 MET HG3 H 1 2.121 0.006 . 2 . . . A 89 MET HG3 . 19627 1 1019 . 1 1 89 89 MET HE1 H 1 0.012 0.006 . 1 . . . A 89 MET HE1 . 19627 1 1020 . 1 1 89 89 MET HE2 H 1 0.012 0.006 . 1 . . . A 89 MET HE2 . 19627 1 1021 . 1 1 89 89 MET HE3 H 1 0.012 0.006 . 1 . . . A 89 MET HE3 . 19627 1 1022 . 1 1 89 89 MET CA C 13 53.785 0.160 . 1 . . . A 89 MET CA . 19627 1 1023 . 1 1 89 89 MET CB C 13 36.210 0.160 . 1 . . . A 89 MET CB . 19627 1 1024 . 1 1 89 89 MET CG C 13 28.541 0.160 . 1 . . . A 89 MET CG . 19627 1 1025 . 1 1 89 89 MET CE C 13 12.651 0.160 . 1 . . . A 89 MET CE . 19627 1 1026 . 1 1 89 89 MET N N 15 122.595 0.102 . 1 . . . A 89 MET N . 19627 1 1027 . 1 1 90 90 LYS H H 1 8.398 0.006 . 1 . . . A 90 LYS H . 19627 1 1028 . 1 1 90 90 LYS HA H 1 4.795 0.006 . 1 . . . A 90 LYS HA . 19627 1 1029 . 1 1 90 90 LYS HB2 H 1 1.440 0.006 . 2 . . . A 90 LYS HB2 . 19627 1 1030 . 1 1 90 90 LYS HB3 H 1 1.810 0.006 . 2 . . . A 90 LYS HB3 . 19627 1 1031 . 1 1 90 90 LYS HG2 H 1 1.185 0.006 . 2 . . . A 90 LYS HG2 . 19627 1 1032 . 1 1 90 90 LYS HG3 H 1 1.239 0.006 . 2 . . . A 90 LYS HG3 . 19627 1 1033 . 1 1 90 90 LYS HD2 H 1 1.527 0.006 . 1 . . . A 90 LYS HD2 . 19627 1 1034 . 1 1 90 90 LYS HD3 H 1 1.527 0.006 . 1 . . . A 90 LYS HD3 . 19627 1 1035 . 1 1 90 90 LYS HE2 H 1 2.727 0.006 . 1 . . . A 90 LYS HE2 . 19627 1 1036 . 1 1 90 90 LYS HE3 H 1 2.727 0.006 . 1 . . . A 90 LYS HE3 . 19627 1 1037 . 1 1 90 90 LYS CA C 13 55.353 0.160 . 1 . . . A 90 LYS CA . 19627 1 1038 . 1 1 90 90 LYS CB C 13 36.763 0.160 . 1 . . . A 90 LYS CB . 19627 1 1039 . 1 1 90 90 LYS CG C 13 26.364 0.160 . 1 . . . A 90 LYS CG . 19627 1 1040 . 1 1 90 90 LYS CD C 13 29.831 0.160 . 1 . . . A 90 LYS CD . 19627 1 1041 . 1 1 90 90 LYS CE C 13 42.226 0.160 . 1 . . . A 90 LYS CE . 19627 1 1042 . 1 1 90 90 LYS N N 15 124.449 0.102 . 1 . . . A 90 LYS N . 19627 1 1043 . 1 1 91 91 TRP H H 1 9.114 0.006 . 1 . . . A 91 TRP H . 19627 1 1044 . 1 1 91 91 TRP HA H 1 5.514 0.006 . 1 . . . A 91 TRP HA . 19627 1 1045 . 1 1 91 91 TRP HB2 H 1 2.587 0.006 . 2 . . . A 91 TRP HB2 . 19627 1 1046 . 1 1 91 91 TRP HB3 H 1 2.590 0.006 . 2 . . . A 91 TRP HB3 . 19627 1 1047 . 1 1 91 91 TRP HD1 H 1 6.430 0.006 . 1 . . . A 91 TRP HD1 . 19627 1 1048 . 1 1 91 91 TRP HE1 H 1 8.705 0.006 . 1 . . . A 91 TRP HE1 . 19627 1 1049 . 1 1 91 91 TRP HE3 H 1 6.392 0.006 . 1 . . . A 91 TRP HE3 . 19627 1 1050 . 1 1 91 91 TRP HZ2 H 1 6.207 0.006 . 1 . . . A 91 TRP HZ2 . 19627 1 1051 . 1 1 91 91 TRP HZ3 H 1 5.524 0.006 . 1 . . . A 91 TRP HZ3 . 19627 1 1052 . 1 1 91 91 TRP HH2 H 1 6.704 0.006 . 1 . . . A 91 TRP HH2 . 19627 1 1053 . 1 1 91 91 TRP CA C 13 52.510 0.160 . 1 . . . A 91 TRP CA . 19627 1 1054 . 1 1 91 91 TRP CB C 13 34.752 0.160 . 1 . . . A 91 TRP CB . 19627 1 1055 . 1 1 91 91 TRP CD1 C 13 127.015 0.160 . 1 . . . A 91 TRP CD1 . 19627 1 1056 . 1 1 91 91 TRP CE3 C 13 117.658 0.160 . 1 . . . A 91 TRP CE3 . 19627 1 1057 . 1 1 91 91 TRP CZ2 C 13 108.929 0.160 . 1 . . . A 91 TRP CZ2 . 19627 1 1058 . 1 1 91 91 TRP CZ3 C 13 120.669 0.160 . 1 . . . A 91 TRP CZ3 . 19627 1 1059 . 1 1 91 91 TRP CH2 C 13 124.975 0.160 . 1 . . . A 91 TRP CH2 . 19627 1 1060 . 1 1 91 91 TRP N N 15 125.457 0.102 . 1 . . . A 91 TRP N . 19627 1 1061 . 1 1 91 91 TRP NE1 N 15 122.222 0.102 . 1 . . . A 91 TRP NE1 . 19627 1 1062 . 1 1 92 92 GLU H H 1 9.129 0.006 . 1 . . . A 92 GLU H . 19627 1 1063 . 1 1 92 92 GLU HA H 1 4.875 0.006 . 1 . . . A 92 GLU HA . 19627 1 1064 . 1 1 92 92 GLU HB2 H 1 2.008 0.006 . 1 . . . A 92 GLU HB2 . 19627 1 1065 . 1 1 92 92 GLU HB3 H 1 2.008 0.006 . 1 . . . A 92 GLU HB3 . 19627 1 1066 . 1 1 92 92 GLU HG2 H 1 2.338 0.006 . 2 . . . A 92 GLU HG2 . 19627 1 1067 . 1 1 92 92 GLU HG3 H 1 2.108 0.006 . 2 . . . A 92 GLU HG3 . 19627 1 1068 . 1 1 92 92 GLU C C 13 176.109 0.160 . 1 . . . A 92 GLU C . 19627 1 1069 . 1 1 92 92 GLU CA C 13 53.610 0.160 . 1 . . . A 92 GLU CA . 19627 1 1070 . 1 1 92 92 GLU CB C 13 33.384 0.160 . 1 . . . A 92 GLU CB . 19627 1 1071 . 1 1 92 92 GLU CG C 13 36.922 0.160 . 1 . . . A 92 GLU CG . 19627 1 1072 . 1 1 92 92 GLU N N 15 123.111 0.102 . 1 . . . A 92 GLU N . 19627 1 1073 . 1 1 93 93 ASN H H 1 9.676 0.006 . 1 . . . A 93 ASN H . 19627 1 1074 . 1 1 93 93 ASN HA H 1 4.403 0.006 . 1 . . . A 93 ASN HA . 19627 1 1075 . 1 1 93 93 ASN HB2 H 1 2.542 0.006 . 2 . . . A 93 ASN HB2 . 19627 1 1076 . 1 1 93 93 ASN HB3 H 1 2.975 0.006 . 2 . . . A 93 ASN HB3 . 19627 1 1077 . 1 1 93 93 ASN HD21 H 1 7.952 0.006 . 2 . . . A 93 ASN HD21 . 19627 1 1078 . 1 1 93 93 ASN HD22 H 1 7.647 0.006 . 2 . . . A 93 ASN HD22 . 19627 1 1079 . 1 1 93 93 ASN CA C 13 54.992 0.160 . 1 . . . A 93 ASN CA . 19627 1 1080 . 1 1 93 93 ASN CB C 13 37.603 0.160 . 1 . . . A 93 ASN CB . 19627 1 1081 . 1 1 93 93 ASN N N 15 126.757 0.102 . 1 . . . A 93 ASN N . 19627 1 1082 . 1 1 93 93 ASN ND2 N 15 116.812 0.102 . 1 . . . A 93 ASN ND2 . 19627 1 1083 . 1 1 94 94 ALA H H 1 8.563 0.006 . 1 . . . A 94 ALA H . 19627 1 1084 . 1 1 94 94 ALA HA H 1 4.205 0.006 . 1 . . . A 94 ALA HA . 19627 1 1085 . 1 1 94 94 ALA HB1 H 1 0.738 0.006 . 1 . . . A 94 ALA HB1 . 19627 1 1086 . 1 1 94 94 ALA HB2 H 1 0.738 0.006 . 1 . . . A 94 ALA HB2 . 19627 1 1087 . 1 1 94 94 ALA HB3 H 1 0.738 0.006 . 1 . . . A 94 ALA HB3 . 19627 1 1088 . 1 1 94 94 ALA CA C 13 52.062 0.160 . 1 . . . A 94 ALA CA . 19627 1 1089 . 1 1 94 94 ALA CB C 13 19.010 0.160 . 1 . . . A 94 ALA CB . 19627 1 1090 . 1 1 94 94 ALA N N 15 130.509 0.102 . 1 . . . A 94 ALA N . 19627 1 1091 . 1 1 95 95 SER H H 1 8.343 0.006 . 1 . . . A 95 SER H . 19627 1 1092 . 1 1 95 95 SER HA H 1 4.545 0.006 . 1 . . . A 95 SER HA . 19627 1 1093 . 1 1 95 95 SER HB2 H 1 3.457 0.006 . 2 . . . A 95 SER HB2 . 19627 1 1094 . 1 1 95 95 SER HB3 H 1 3.628 0.006 . 2 . . . A 95 SER HB3 . 19627 1 1095 . 1 1 95 95 SER CA C 13 54.544 0.160 . 1 . . . A 95 SER CA . 19627 1 1096 . 1 1 95 95 SER CB C 13 63.081 0.160 . 1 . . . A 95 SER CB . 19627 1 1097 . 1 1 95 95 SER N N 15 114.601 0.102 . 1 . . . A 95 SER N . 19627 1 1098 . 1 1 96 96 PRO HA H 1 4.304 0.006 . 1 . . . A 96 PRO HA . 19627 1 1099 . 1 1 96 96 PRO HB2 H 1 1.864 0.006 . 2 . . . A 96 PRO HB2 . 19627 1 1100 . 1 1 96 96 PRO HB3 H 1 2.269 0.006 . 2 . . . A 96 PRO HB3 . 19627 1 1101 . 1 1 96 96 PRO HG2 H 1 1.877 0.006 . 1 . . . A 96 PRO HG2 . 19627 1 1102 . 1 1 96 96 PRO HG3 H 1 1.877 0.006 . 1 . . . A 96 PRO HG3 . 19627 1 1103 . 1 1 96 96 PRO HD2 H 1 3.503 0.006 . 2 . . . A 96 PRO HD2 . 19627 1 1104 . 1 1 96 96 PRO HD3 H 1 3.277 0.006 . 2 . . . A 96 PRO HD3 . 19627 1 1105 . 1 1 96 96 PRO CA C 13 64.589 0.160 . 1 . . . A 96 PRO CA . 19627 1 1106 . 1 1 96 96 PRO CB C 13 32.258 0.160 . 1 . . . A 96 PRO CB . 19627 1 1107 . 1 1 96 96 PRO CG C 13 27.420 0.160 . 1 . . . A 96 PRO CG . 19627 1 1108 . 1 1 96 96 PRO CD C 13 50.304 0.160 . 1 . . . A 96 PRO CD . 19627 1 1109 . 1 1 97 97 LYS H H 1 8.267 0.006 . 1 . . . A 97 LYS H . 19627 1 1110 . 1 1 97 97 LYS HA H 1 4.148 0.006 . 1 . . . A 97 LYS HA . 19627 1 1111 . 1 1 97 97 LYS HB2 H 1 1.771 0.006 . 2 . . . A 97 LYS HB2 . 19627 1 1112 . 1 1 97 97 LYS HB3 H 1 1.699 0.006 . 2 . . . A 97 LYS HB3 . 19627 1 1113 . 1 1 97 97 LYS HG2 H 1 1.292 0.006 . 1 . . . A 97 LYS HG2 . 19627 1 1114 . 1 1 97 97 LYS HG3 H 1 1.292 0.006 . 1 . . . A 97 LYS HG3 . 19627 1 1115 . 1 1 97 97 LYS HD2 H 1 1.567 0.006 . 2 . . . A 97 LYS HD2 . 19627 1 1116 . 1 1 97 97 LYS HD3 H 1 1.771 0.006 . 2 . . . A 97 LYS HD3 . 19627 1 1117 . 1 1 97 97 LYS HE2 H 1 2.973 0.006 . 1 . . . A 97 LYS HE2 . 19627 1 1118 . 1 1 97 97 LYS HE3 H 1 2.973 0.006 . 1 . . . A 97 LYS HE3 . 19627 1 1119 . 1 1 97 97 LYS CA C 13 57.447 0.160 . 1 . . . A 97 LYS CA . 19627 1 1120 . 1 1 97 97 LYS CB C 13 31.991 0.160 . 1 . . . A 97 LYS CB . 19627 1 1121 . 1 1 97 97 LYS CG C 13 25.003 0.160 . 1 . . . A 97 LYS CG . 19627 1 1122 . 1 1 97 97 LYS CD C 13 29.482 0.160 . 1 . . . A 97 LYS CD . 19627 1 1123 . 1 1 97 97 LYS CE C 13 42.509 0.160 . 1 . . . A 97 LYS CE . 19627 1 1124 . 1 1 97 97 LYS N N 15 118.117 0.102 . 1 . . . A 97 LYS N . 19627 1 1125 . 1 1 98 98 ASP H H 1 8.333 0.006 . 1 . . . A 98 ASP H . 19627 1 1126 . 1 1 98 98 ASP HA H 1 4.325 0.006 . 1 . . . A 98 ASP HA . 19627 1 1127 . 1 1 98 98 ASP HB2 H 1 2.875 0.006 . 2 . . . A 98 ASP HB2 . 19627 1 1128 . 1 1 98 98 ASP HB3 H 1 2.541 0.006 . 2 . . . A 98 ASP HB3 . 19627 1 1129 . 1 1 98 98 ASP CA C 13 54.598 0.160 . 1 . . . A 98 ASP CA . 19627 1 1130 . 1 1 98 98 ASP CB C 13 40.782 0.160 . 1 . . . A 98 ASP CB . 19627 1 1131 . 1 1 98 98 ASP N N 15 119.820 0.102 . 1 . . . A 98 ASP N . 19627 1 1132 . 1 1 99 99 GLY H H 1 7.907 0.006 . 1 . . . A 99 GLY H . 19627 1 1133 . 1 1 99 99 GLY HA2 H 1 3.670 . . 2 . . . A 99 GLY HA2 . 19627 1 1134 . 1 1 99 99 GLY HA3 H 1 4.091 0.006 . 2 . . . A 99 GLY HA3 . 19627 1 1135 . 1 1 99 99 GLY CA C 13 45.636 0.160 . 1 . . . A 99 GLY CA . 19627 1 1136 . 1 1 99 99 GLY N N 15 107.593 0.102 . 1 . . . A 99 GLY N . 19627 1 1137 . 1 1 100 100 ASN H H 1 8.557 0.006 . 1 . . . A 100 ASN H . 19627 1 1138 . 1 1 100 100 ASN HA H 1 4.720 0.006 . 1 . . . A 100 ASN HA . 19627 1 1139 . 1 1 100 100 ASN HB2 H 1 2.897 0.006 . 2 . . . A 100 ASN HB2 . 19627 1 1140 . 1 1 100 100 ASN HB3 H 1 2.650 0.006 . 2 . . . A 100 ASN HB3 . 19627 1 1141 . 1 1 100 100 ASN HD21 H 1 6.824 0.006 . 2 . . . A 100 ASN HD21 . 19627 1 1142 . 1 1 100 100 ASN HD22 H 1 7.799 0.006 . 2 . . . A 100 ASN HD22 . 19627 1 1143 . 1 1 100 100 ASN C C 13 175.832 0.160 . 1 . . . A 100 ASN C . 19627 1 1144 . 1 1 100 100 ASN CA C 13 53.853 0.160 . 1 . . . A 100 ASN CA . 19627 1 1145 . 1 1 100 100 ASN CB C 13 38.772 0.160 . 1 . . . A 100 ASN CB . 19627 1 1146 . 1 1 100 100 ASN N N 15 119.859 0.102 . 1 . . . A 100 ASN N . 19627 1 1147 . 1 1 100 100 ASN ND2 N 15 115.644 0.102 . 1 . . . A 100 ASN ND2 . 19627 1 1148 . 1 1 101 101 SER H H 1 8.526 0.006 . 1 . . . A 101 SER H . 19627 1 1149 . 1 1 101 101 SER HA H 1 4.533 0.006 . 1 . . . A 101 SER HA . 19627 1 1150 . 1 1 101 101 SER HB2 H 1 3.923 0.006 . 2 . . . A 101 SER HB2 . 19627 1 1151 . 1 1 101 101 SER HB3 H 1 3.989 0.006 . 2 . . . A 101 SER HB3 . 19627 1 1152 . 1 1 101 101 SER C C 13 175.075 0.160 . 1 . . . A 101 SER C . 19627 1 1153 . 1 1 101 101 SER CA C 13 57.658 0.160 . 1 . . . A 101 SER CA . 19627 1 1154 . 1 1 101 101 SER CB C 13 64.927 0.160 . 1 . . . A 101 SER CB . 19627 1 1155 . 1 1 101 101 SER N N 15 117.380 0.102 . 1 . . . A 101 SER N . 19627 1 1156 . 1 1 102 102 ASP H H 1 8.474 0.006 . 1 . . . A 102 ASP H . 19627 1 1157 . 1 1 102 102 ASP HA H 1 4.606 0.006 . 1 . . . A 102 ASP HA . 19627 1 1158 . 1 1 102 102 ASP HB2 H 1 2.559 0.006 . 2 . . . A 102 ASP HB2 . 19627 1 1159 . 1 1 102 102 ASP HB3 H 1 3.049 0.006 . 2 . . . A 102 ASP HB3 . 19627 1 1160 . 1 1 102 102 ASP C C 13 177.297 0.160 . 1 . . . A 102 ASP C . 19627 1 1161 . 1 1 102 102 ASP CA C 13 55.558 0.160 . 1 . . . A 102 ASP CA . 19627 1 1162 . 1 1 102 102 ASP CB C 13 40.668 0.160 . 1 . . . A 102 ASP CB . 19627 1 1163 . 1 1 102 102 ASP N N 15 123.193 0.102 . 1 . . . A 102 ASP N . 19627 1 1164 . 1 1 103 103 LYS H H 1 8.159 0.006 . 1 . . . A 103 LYS H . 19627 1 1165 . 1 1 103 103 LYS HA H 1 5.397 0.006 . 1 . . . A 103 LYS HA . 19627 1 1166 . 1 1 103 103 LYS HB2 H 1 1.206 0.006 . 2 . . . A 103 LYS HB2 . 19627 1 1167 . 1 1 103 103 LYS HB3 H 1 1.530 0.006 . 2 . . . A 103 LYS HB3 . 19627 1 1168 . 1 1 103 103 LYS HG2 H 1 1.357 0.006 . 2 . . . A 103 LYS HG2 . 19627 1 1169 . 1 1 103 103 LYS HG3 H 1 1.612 0.006 . 2 . . . A 103 LYS HG3 . 19627 1 1170 . 1 1 103 103 LYS HD2 H 1 1.610 0.006 . 2 . . . A 103 LYS HD2 . 19627 1 1171 . 1 1 103 103 LYS HD3 H 1 1.428 0.006 . 2 . . . A 103 LYS HD3 . 19627 1 1172 . 1 1 103 103 LYS HE2 H 1 3.200 0.006 . 2 . . . A 103 LYS HE2 . 19627 1 1173 . 1 1 103 103 LYS HE3 H 1 3.387 0.006 . 2 . . . A 103 LYS HE3 . 19627 1 1174 . 1 1 103 103 LYS CA C 13 55.561 0.160 . 1 . . . A 103 LYS CA . 19627 1 1175 . 1 1 103 103 LYS CB C 13 39.951 0.160 . 1 . . . A 103 LYS CB . 19627 1 1176 . 1 1 103 103 LYS CG C 13 25.995 0.160 . 1 . . . A 103 LYS CG . 19627 1 1177 . 1 1 103 103 LYS CD C 13 30.018 0.160 . 1 . . . A 103 LYS CD . 19627 1 1178 . 1 1 103 103 LYS CE C 13 43.134 0.160 . 1 . . . A 103 LYS CE . 19627 1 1179 . 1 1 103 103 LYS N N 15 117.188 0.102 . 1 . . . A 103 LYS N . 19627 1 1180 . 1 1 104 104 ARG H H 1 8.714 0.006 . 1 . . . A 104 ARG H . 19627 1 1181 . 1 1 104 104 ARG HA H 1 4.808 0.006 . 1 . . . A 104 ARG HA . 19627 1 1182 . 1 1 104 104 ARG HB2 H 1 1.602 0.006 . 2 . . . A 104 ARG HB2 . 19627 1 1183 . 1 1 104 104 ARG HB3 H 1 1.751 0.006 . 2 . . . A 104 ARG HB3 . 19627 1 1184 . 1 1 104 104 ARG HG2 H 1 1.516 0.006 . 2 . . . A 104 ARG HG2 . 19627 1 1185 . 1 1 104 104 ARG HG3 H 1 1.656 0.006 . 2 . . . A 104 ARG HG3 . 19627 1 1186 . 1 1 104 104 ARG HD2 H 1 2.796 0.006 . 2 . . . A 104 ARG HD2 . 19627 1 1187 . 1 1 104 104 ARG HD3 H 1 2.952 0.006 . 2 . . . A 104 ARG HD3 . 19627 1 1188 . 1 1 104 104 ARG C C 13 174.517 0.160 . 1 . . . A 104 ARG C . 19627 1 1189 . 1 1 104 104 ARG CA C 13 55.684 0.160 . 1 . . . A 104 ARG CA . 19627 1 1190 . 1 1 104 104 ARG CB C 13 33.949 0.160 . 1 . . . A 104 ARG CB . 19627 1 1191 . 1 1 104 104 ARG CG C 13 27.215 0.160 . 1 . . . A 104 ARG CG . 19627 1 1192 . 1 1 104 104 ARG CD C 13 41.555 0.160 . 1 . . . A 104 ARG CD . 19627 1 1193 . 1 1 104 104 ARG N N 15 122.088 0.102 . 1 . . . A 104 ARG N . 19627 1 1194 . 1 1 105 105 LEU H H 1 9.414 0.006 . 1 . . . A 105 LEU H . 19627 1 1195 . 1 1 105 105 LEU HA H 1 5.489 0.006 . 1 . . . A 105 LEU HA . 19627 1 1196 . 1 1 105 105 LEU HB2 H 1 1.664 0.006 . 2 . . . A 105 LEU HB2 . 19627 1 1197 . 1 1 105 105 LEU HB3 H 1 0.907 0.006 . 2 . . . A 105 LEU HB3 . 19627 1 1198 . 1 1 105 105 LEU HG H 1 0.926 0.006 . 1 . . . A 105 LEU HG . 19627 1 1199 . 1 1 105 105 LEU HD11 H 1 -0.954 0.006 . 1 . . . A 105 LEU HD11 . 19627 1 1200 . 1 1 105 105 LEU HD12 H 1 -0.954 0.006 . 1 . . . A 105 LEU HD12 . 19627 1 1201 . 1 1 105 105 LEU HD13 H 1 -0.954 0.006 . 1 . . . A 105 LEU HD13 . 19627 1 1202 . 1 1 105 105 LEU HD21 H 1 -0.186 0.006 . 1 . . . A 105 LEU HD21 . 19627 1 1203 . 1 1 105 105 LEU HD22 H 1 -0.186 0.006 . 1 . . . A 105 LEU HD22 . 19627 1 1204 . 1 1 105 105 LEU HD23 H 1 -0.186 0.006 . 1 . . . A 105 LEU HD23 . 19627 1 1205 . 1 1 105 105 LEU CA C 13 55.142 0.160 . 1 . . . A 105 LEU CA . 19627 1 1206 . 1 1 105 105 LEU CB C 13 45.852 0.160 . 1 . . . A 105 LEU CB . 19627 1 1207 . 1 1 105 105 LEU CG C 13 28.766 0.160 . 1 . . . A 105 LEU CG . 19627 1 1208 . 1 1 105 105 LEU CD1 C 13 24.914 0.160 . 2 . . . A 105 LEU CD1 . 19627 1 1209 . 1 1 105 105 LEU CD2 C 13 28.426 0.160 . 2 . . . A 105 LEU CD2 . 19627 1 1210 . 1 1 105 105 LEU N N 15 126.226 0.102 . 1 . . . A 105 LEU N . 19627 1 1211 . 1 1 106 106 GLU H H 1 9.087 0.006 . 1 . . . A 106 GLU H . 19627 1 1212 . 1 1 106 106 GLU HA H 1 5.345 0.006 . 1 . . . A 106 GLU HA . 19627 1 1213 . 1 1 106 106 GLU HB2 H 1 2.027 0.006 . 2 . . . A 106 GLU HB2 . 19627 1 1214 . 1 1 106 106 GLU HB3 H 1 1.725 0.006 . 2 . . . A 106 GLU HB3 . 19627 1 1215 . 1 1 106 106 GLU HG2 H 1 2.342 0.006 . 2 . . . A 106 GLU HG2 . 19627 1 1216 . 1 1 106 106 GLU HG3 H 1 2.214 0.006 . 2 . . . A 106 GLU HG3 . 19627 1 1217 . 1 1 106 106 GLU CA C 13 54.248 0.160 . 1 . . . A 106 GLU CA . 19627 1 1218 . 1 1 106 106 GLU CB C 13 34.552 0.160 . 1 . . . A 106 GLU CB . 19627 1 1219 . 1 1 106 106 GLU CG C 13 37.333 0.160 . 1 . . . A 106 GLU CG . 19627 1 1220 . 1 1 106 106 GLU N N 15 120.408 0.102 . 1 . . . A 106 GLU N . 19627 1 1221 . 1 1 107 107 LYS H H 1 7.497 0.006 . 1 . . . A 107 LYS H . 19627 1 1222 . 1 1 107 107 LYS HA H 1 3.474 0.006 . 1 . . . A 107 LYS HA . 19627 1 1223 . 1 1 107 107 LYS HB2 H 1 1.198 0.006 . 2 . . . A 107 LYS HB2 . 19627 1 1224 . 1 1 107 107 LYS HB3 H 1 0.147 0.006 . 2 . . . A 107 LYS HB3 . 19627 1 1225 . 1 1 107 107 LYS HG2 H 1 0.078 0.006 . 1 . . . A 107 LYS HG2 . 19627 1 1226 . 1 1 107 107 LYS HG3 H 1 0.078 0.006 . 1 . . . A 107 LYS HG3 . 19627 1 1227 . 1 1 107 107 LYS HD2 H 1 1.004 0.006 . 2 . . . A 107 LYS HD2 . 19627 1 1228 . 1 1 107 107 LYS HD3 H 1 0.946 0.006 . 2 . . . A 107 LYS HD3 . 19627 1 1229 . 1 1 107 107 LYS HE2 H 1 2.422 0.006 . 2 . . . A 107 LYS HE2 . 19627 1 1230 . 1 1 107 107 LYS HE3 H 1 2.615 0.006 . 2 . . . A 107 LYS HE3 . 19627 1 1231 . 1 1 107 107 LYS CA C 13 56.904 0.160 . 1 . . . A 107 LYS CA . 19627 1 1232 . 1 1 107 107 LYS CB C 13 32.373 0.160 . 1 . . . A 107 LYS CB . 19627 1 1233 . 1 1 107 107 LYS CG C 13 25.063 0.160 . 1 . . . A 107 LYS CG . 19627 1 1234 . 1 1 107 107 LYS CD C 13 28.600 0.160 . 1 . . . A 107 LYS CD . 19627 1 1235 . 1 1 107 107 LYS CE C 13 42.965 0.160 . 1 . . . A 107 LYS CE . 19627 1 1236 . 1 1 107 107 LYS N N 15 127.864 0.102 . 1 . . . A 107 LYS N . 19627 1 1237 . 1 1 108 108 TYR H H 1 8.699 0.006 . 1 . . . A 108 TYR H . 19627 1 1238 . 1 1 108 108 TYR HA H 1 4.441 0.006 . 1 . . . A 108 TYR HA . 19627 1 1239 . 1 1 108 108 TYR HB2 H 1 2.671 0.006 . 2 . . . A 108 TYR HB2 . 19627 1 1240 . 1 1 108 108 TYR HB3 H 1 2.637 0.006 . 2 . . . A 108 TYR HB3 . 19627 1 1241 . 1 1 108 108 TYR HD1 H 1 6.913 0.006 . 3 . . . A 108 TYR HD1 . 19627 1 1242 . 1 1 108 108 TYR HD2 H 1 6.913 0.006 . 3 . . . A 108 TYR HD2 . 19627 1 1243 . 1 1 108 108 TYR HE1 H 1 6.682 0.006 . 3 . . . A 108 TYR HE1 . 19627 1 1244 . 1 1 108 108 TYR HE2 H 1 6.682 0.006 . 3 . . . A 108 TYR HE2 . 19627 1 1245 . 1 1 108 108 TYR CA C 13 57.519 0.160 . 1 . . . A 108 TYR CA . 19627 1 1246 . 1 1 108 108 TYR CB C 13 40.123 0.160 . 1 . . . A 108 TYR CB . 19627 1 1247 . 1 1 108 108 TYR CD1 C 13 130.035 0.160 . 3 . . . A 108 TYR CD1 . 19627 1 1248 . 1 1 108 108 TYR CE1 C 13 115.692 0.160 . 3 . . . A 108 TYR CE1 . 19627 1 1249 . 1 1 108 108 TYR N N 15 127.870 0.102 . 1 . . . A 108 TYR N . 19627 1 1250 . 1 1 109 109 ASN H H 1 8.065 0.006 . 1 . . . A 109 ASN H . 19627 1 1251 . 1 1 109 109 ASN HA H 1 4.576 0.006 . 1 . . . A 109 ASN HA . 19627 1 1252 . 1 1 109 109 ASN HB2 H 1 2.404 0.006 . 2 . . . A 109 ASN HB2 . 19627 1 1253 . 1 1 109 109 ASN HB3 H 1 2.608 0.006 . 2 . . . A 109 ASN HB3 . 19627 1 1254 . 1 1 109 109 ASN HD21 H 1 6.732 0.006 . 2 . . . A 109 ASN HD21 . 19627 1 1255 . 1 1 109 109 ASN HD22 H 1 7.440 0.006 . 2 . . . A 109 ASN HD22 . 19627 1 1256 . 1 1 109 109 ASN CA C 13 53.020 0.160 . 1 . . . A 109 ASN CA . 19627 1 1257 . 1 1 109 109 ASN CB C 13 40.596 0.160 . 1 . . . A 109 ASN CB . 19627 1 1258 . 1 1 109 109 ASN N N 15 123.534 0.102 . 1 . . . A 109 ASN N . 19627 1 1259 . 1 1 109 109 ASN ND2 N 15 113.078 0.102 . 1 . . . A 109 ASN ND2 . 19627 1 1260 . 1 1 110 110 ASP H H 1 7.432 0.006 . 1 . . . A 110 ASP H . 19627 1 1261 . 1 1 110 110 ASP HA H 1 4.201 0.006 . 1 . . . A 110 ASP HA . 19627 1 1262 . 1 1 110 110 ASP HB2 H 1 2.539 0.006 . 2 . . . A 110 ASP HB2 . 19627 1 1263 . 1 1 110 110 ASP HB3 H 1 2.346 0.006 . 2 . . . A 110 ASP HB3 . 19627 1 1264 . 1 1 110 110 ASP CA C 13 55.702 0.160 . 1 . . . A 110 ASP CA . 19627 1 1265 . 1 1 110 110 ASP CB C 13 42.256 0.160 . 1 . . . A 110 ASP CB . 19627 1 1266 . 1 1 110 110 ASP N N 15 125.826 0.102 . 1 . . . A 110 ASP N . 19627 1 stop_ save_