data_19006 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19006 _Entry.Title ; 1H, 13C and 15N backbone and side chain resonance assignment of the phosphorelay protein VanU from Vibrio anguillarum ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-02-05 _Entry.Accession_date 2013-02-05 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Benjamin Bobay . G. . 19006 2 Richele Thompson . J. . 19006 3 John Cavanagh . . . 19006 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19006 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 461 19006 '15N chemical shifts' 111 19006 '1H chemical shifts' 705 19006 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-05-05 2013-02-05 update BMRB 'update entry citation' 19006 1 . . 2013-08-14 2013-02-05 original author 'original release' 19006 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19006 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23604692 _Citation.Full_citation . _Citation.Title 'Chemical shift assignments and secondary structure prediction of the phosphorelay protein VanU from Vibrio anguillarum.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 8 _Citation.Journal_issue 1 _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 177 _Citation.Page_last 179 _Citation.Year 2014 _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 Benjamin Bobay . G. . 19006 1 2 Richele Thompson . J. . 19006 1 3 Debra Milton . L. . 19006 1 4 John Cavanagh . . . 19006 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19006 _Assembly.ID 1 _Assembly.Name VanU _Assembly.BMRB_code . _Assembly.Number_of_components . _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 VanU 1 $VanU A . no native no no . . . 19006 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_VanU _Entity.Sf_category entity _Entity.Sf_framecode VanU _Entity.Entry_ID 19006 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name VanU _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSMELINKNKIAHLAQEIGE ENVPILLDIFLSELSAYTQK LADQNLPDKIEYLKDISHAL KSSAASFGADKLCAKAVDID SKGKANCIFDEAEEVAAMRA LIEETHRCYCHLMD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-2 represent a non-native affinity tag' _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 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes EMBL AAS98244.1 . "Vibrio anguillarum phosphorelay protein" . . . . . . . . . . . . . . 19006 1 2 no EMBL CDQ49815 . "phosphorelay protein LuxU [Vibrio anguillarum]" . . . . . 98.25 112 100.00 100.00 1.50e-73 . . . . 19006 1 3 no GB AAS98244 . "phosphorelay protein [Vibrio anguillarum]" . . . . . 98.25 112 100.00 100.00 1.50e-73 . . . . 19006 1 4 no GB AEH33638 . "LuxU [Vibrio anguillarum 775]" . . . . . 98.25 112 100.00 100.00 1.50e-73 . . . . 19006 1 5 no GB AGU58069 . "phosphorelay protein luxU [Listonella anguillarum M3]" . . . . . 98.25 112 100.00 100.00 1.50e-73 . . . . 19006 1 6 no REF WP_010320685 . "phosphorelay protein luxU [Vibrio ordalii]" . . . . . 98.25 112 98.21 99.11 2.24e-72 . . . . 19006 1 7 no REF WP_013857261 . "MULTISPECIES: phosphorelay protein luxU [Vibrio]" . . . . . 98.25 112 100.00 100.00 1.50e-73 . . . . 19006 1 8 no REF WP_017048414 . "phosphorelay protein luxU [Vibrio ordalii]" . . . . . 98.25 112 99.11 100.00 3.11e-73 . . . . 19006 1 9 no REF WP_047690702 . "phosphorelay protein LuxU [Vibrio sp. ZOR0018]" . . . . . 98.25 112 99.11 100.00 6.53e-73 . . . . 19006 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID phosphorelay 19006 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 . 19006 1 2 2 SER . 19006 1 3 3 MET . 19006 1 4 4 GLU . 19006 1 5 5 LEU . 19006 1 6 6 ILE . 19006 1 7 7 ASN . 19006 1 8 8 LYS . 19006 1 9 9 ASN . 19006 1 10 10 LYS . 19006 1 11 11 ILE . 19006 1 12 12 ALA . 19006 1 13 13 HIS . 19006 1 14 14 LEU . 19006 1 15 15 ALA . 19006 1 16 16 GLN . 19006 1 17 17 GLU . 19006 1 18 18 ILE . 19006 1 19 19 GLY . 19006 1 20 20 GLU . 19006 1 21 21 GLU . 19006 1 22 22 ASN . 19006 1 23 23 VAL . 19006 1 24 24 PRO . 19006 1 25 25 ILE . 19006 1 26 26 LEU . 19006 1 27 27 LEU . 19006 1 28 28 ASP . 19006 1 29 29 ILE . 19006 1 30 30 PHE . 19006 1 31 31 LEU . 19006 1 32 32 SER . 19006 1 33 33 GLU . 19006 1 34 34 LEU . 19006 1 35 35 SER . 19006 1 36 36 ALA . 19006 1 37 37 TYR . 19006 1 38 38 THR . 19006 1 39 39 GLN . 19006 1 40 40 LYS . 19006 1 41 41 LEU . 19006 1 42 42 ALA . 19006 1 43 43 ASP . 19006 1 44 44 GLN . 19006 1 45 45 ASN . 19006 1 46 46 LEU . 19006 1 47 47 PRO . 19006 1 48 48 ASP . 19006 1 49 49 LYS . 19006 1 50 50 ILE . 19006 1 51 51 GLU . 19006 1 52 52 TYR . 19006 1 53 53 LEU . 19006 1 54 54 LYS . 19006 1 55 55 ASP . 19006 1 56 56 ILE . 19006 1 57 57 SER . 19006 1 58 58 HIS . 19006 1 59 59 ALA . 19006 1 60 60 LEU . 19006 1 61 61 LYS . 19006 1 62 62 SER . 19006 1 63 63 SER . 19006 1 64 64 ALA . 19006 1 65 65 ALA . 19006 1 66 66 SER . 19006 1 67 67 PHE . 19006 1 68 68 GLY . 19006 1 69 69 ALA . 19006 1 70 70 ASP . 19006 1 71 71 LYS . 19006 1 72 72 LEU . 19006 1 73 73 CYS . 19006 1 74 74 ALA . 19006 1 75 75 LYS . 19006 1 76 76 ALA . 19006 1 77 77 VAL . 19006 1 78 78 ASP . 19006 1 79 79 ILE . 19006 1 80 80 ASP . 19006 1 81 81 SER . 19006 1 82 82 LYS . 19006 1 83 83 GLY . 19006 1 84 84 LYS . 19006 1 85 85 ALA . 19006 1 86 86 ASN . 19006 1 87 87 CYS . 19006 1 88 88 ILE . 19006 1 89 89 PHE . 19006 1 90 90 ASP . 19006 1 91 91 GLU . 19006 1 92 92 ALA . 19006 1 93 93 GLU . 19006 1 94 94 GLU . 19006 1 95 95 VAL . 19006 1 96 96 ALA . 19006 1 97 97 ALA . 19006 1 98 98 MET . 19006 1 99 99 ARG . 19006 1 100 100 ALA . 19006 1 101 101 LEU . 19006 1 102 102 ILE . 19006 1 103 103 GLU . 19006 1 104 104 GLU . 19006 1 105 105 THR . 19006 1 106 106 HIS . 19006 1 107 107 ARG . 19006 1 108 108 CYS . 19006 1 109 109 TYR . 19006 1 110 110 CYS . 19006 1 111 111 HIS . 19006 1 112 112 LEU . 19006 1 113 113 MET . 19006 1 114 114 ASP . 19006 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 19006 1 . SER 2 2 19006 1 . MET 3 3 19006 1 . GLU 4 4 19006 1 . LEU 5 5 19006 1 . ILE 6 6 19006 1 . ASN 7 7 19006 1 . LYS 8 8 19006 1 . ASN 9 9 19006 1 . LYS 10 10 19006 1 . ILE 11 11 19006 1 . ALA 12 12 19006 1 . HIS 13 13 19006 1 . LEU 14 14 19006 1 . ALA 15 15 19006 1 . GLN 16 16 19006 1 . GLU 17 17 19006 1 . ILE 18 18 19006 1 . GLY 19 19 19006 1 . GLU 20 20 19006 1 . GLU 21 21 19006 1 . ASN 22 22 19006 1 . VAL 23 23 19006 1 . PRO 24 24 19006 1 . ILE 25 25 19006 1 . LEU 26 26 19006 1 . LEU 27 27 19006 1 . ASP 28 28 19006 1 . ILE 29 29 19006 1 . PHE 30 30 19006 1 . LEU 31 31 19006 1 . SER 32 32 19006 1 . GLU 33 33 19006 1 . LEU 34 34 19006 1 . SER 35 35 19006 1 . ALA 36 36 19006 1 . TYR 37 37 19006 1 . THR 38 38 19006 1 . GLN 39 39 19006 1 . LYS 40 40 19006 1 . LEU 41 41 19006 1 . ALA 42 42 19006 1 . ASP 43 43 19006 1 . GLN 44 44 19006 1 . ASN 45 45 19006 1 . LEU 46 46 19006 1 . PRO 47 47 19006 1 . ASP 48 48 19006 1 . LYS 49 49 19006 1 . ILE 50 50 19006 1 . GLU 51 51 19006 1 . TYR 52 52 19006 1 . LEU 53 53 19006 1 . LYS 54 54 19006 1 . ASP 55 55 19006 1 . ILE 56 56 19006 1 . SER 57 57 19006 1 . HIS 58 58 19006 1 . ALA 59 59 19006 1 . LEU 60 60 19006 1 . LYS 61 61 19006 1 . SER 62 62 19006 1 . SER 63 63 19006 1 . ALA 64 64 19006 1 . ALA 65 65 19006 1 . SER 66 66 19006 1 . PHE 67 67 19006 1 . GLY 68 68 19006 1 . ALA 69 69 19006 1 . ASP 70 70 19006 1 . LYS 71 71 19006 1 . LEU 72 72 19006 1 . CYS 73 73 19006 1 . ALA 74 74 19006 1 . LYS 75 75 19006 1 . ALA 76 76 19006 1 . VAL 77 77 19006 1 . ASP 78 78 19006 1 . ILE 79 79 19006 1 . ASP 80 80 19006 1 . SER 81 81 19006 1 . LYS 82 82 19006 1 . GLY 83 83 19006 1 . LYS 84 84 19006 1 . ALA 85 85 19006 1 . ASN 86 86 19006 1 . CYS 87 87 19006 1 . ILE 88 88 19006 1 . PHE 89 89 19006 1 . ASP 90 90 19006 1 . GLU 91 91 19006 1 . ALA 92 92 19006 1 . GLU 93 93 19006 1 . GLU 94 94 19006 1 . VAL 95 95 19006 1 . ALA 96 96 19006 1 . ALA 97 97 19006 1 . MET 98 98 19006 1 . ARG 99 99 19006 1 . ALA 100 100 19006 1 . LEU 101 101 19006 1 . ILE 102 102 19006 1 . GLU 103 103 19006 1 . GLU 104 104 19006 1 . THR 105 105 19006 1 . HIS 106 106 19006 1 . ARG 107 107 19006 1 . CYS 108 108 19006 1 . TYR 109 109 19006 1 . CYS 110 110 19006 1 . HIS 111 111 19006 1 . LEU 112 112 19006 1 . MET 113 113 19006 1 . ASP 114 114 19006 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 19006 _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 $VanU . 55601 organism . 'Vibrio anguillarum' g-proteobacteria . . Bacteria . Vibrio anguillarum . . . . . . . . . . . . . . . . . . . . . 19006 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 19006 _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 $VanU . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX-4T2 . . . . . . 19006 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19006 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 VanU '[U-100% 13C; U-100% 15N]' . . 1 $VanU . . . 0.5 1 mM . . . . 19006 1 2 TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 19006 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19006 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 19006 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 19006 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19006 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19006 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19006 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 VanU '[U-100% 13C; U-100% 15N]' . . 1 $VanU . . . 0.5 1 mM . . . . 19006 2 2 TRIS 'natural abundance' . . . . . . 25 . . mM . . . . 19006 2 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19006 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 19006 2 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 19006 2 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19006 2 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 19006 _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' 100 . mM 19006 1 pH 6.5 . pH 19006 1 pressure 1 . atm 19006 1 temperature 298 . K 19006 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 19006 _Sample_condition_list.ID 2 _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' 100 . mM 19006 2 pH 6.5 . pH 19006 2 pressure 1 . atm 19006 2 temperature 298 . K 19006 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19006 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19006 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19006 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19006 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19006 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19006 2 'data analysis' 19006 2 'peak picking' 19006 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19006 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 19006 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19006 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 19006 1 2 spectrometer_2 Bruker Avance . 700 . . . 19006 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 19006 _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 . . . . . . . . . . . . . . . . . . . . . 19006 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19006 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19006 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19006 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19006 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19006 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19006 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19006 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19006 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 19006 1 11 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19006 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19006 1 13 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19006 1 14 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 19006 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 19006 _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 . . . . . . . . . 19006 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19006 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19006 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 19006 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19006 1 2 '2D 1H-13C HSQC' . . . 19006 1 3 '3D CBCA(CO)NH' . . . 19006 1 4 '3D C(CO)NH' . . . 19006 1 5 '3D HNCO' . . . 19006 1 6 '3D HNCA' . . . 19006 1 7 '3D HNCACB' . . . 19006 1 8 '3D HN(CO)CA' . . . 19006 1 9 '3D H(CCO)NH' . . . 19006 1 10 '3D HCCH-TOCSY' . . . 19006 1 11 '3D HNHA' . . . 19006 1 12 '3D 1H-15N NOESY' . . . 19006 1 13 '3D 1H-15N TOCSY' . . . 19006 1 14 '3D 1H-13C NOESY' . . . 19006 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 SER HA H 1 4.2800 0.02 . 1 . . . . 2 SER HA . 19006 1 2 . 1 1 2 2 SER HB2 H 1 3.6080 0.02 . 2 . . . . 2 SER HB2 . 19006 1 3 . 1 1 2 2 SER C C 13 173.5130 0.20 . 1 . . . . 2 SER C . 19006 1 4 . 1 1 2 2 SER CA C 13 58.4630 0.20 . 1 . . . . 2 SER CA . 19006 1 5 . 1 1 2 2 SER CB C 13 64.0540 0.20 . 1 . . . . 2 SER CB . 19006 1 6 . 1 1 3 3 MET H H 1 8.5180 0.02 . 1 . . . . 3 MET H . 19006 1 7 . 1 1 3 3 MET HA H 1 4.3550 0.02 . 1 . . . . 3 MET HA . 19006 1 8 . 1 1 3 3 MET HB2 H 1 1.6390 0.02 . 2 . . . . 3 MET HB2 . 19006 1 9 . 1 1 3 3 MET HB3 H 1 1.6900 0.02 . 2 . . . . 3 MET HB3 . 19006 1 10 . 1 1 3 3 MET HG2 H 1 2.6890 0.02 . 2 . . . . 3 MET HG2 . 19006 1 11 . 1 1 3 3 MET HG3 H 1 2.3010 0.02 . 2 . . . . 3 MET HG3 . 19006 1 12 . 1 1 3 3 MET C C 13 175.2230 0.20 . 1 . . . . 3 MET C . 19006 1 13 . 1 1 3 3 MET CA C 13 54.9440 0.20 . 1 . . . . 3 MET CA . 19006 1 14 . 1 1 3 3 MET CB C 13 33.5000 0.20 . 1 . . . . 3 MET CB . 19006 1 15 . 1 1 3 3 MET CG C 13 32.3810 0.20 . 1 . . . . 3 MET CG . 19006 1 16 . 1 1 3 3 MET N N 15 121.9970 0.20 . 1 . . . . 3 MET N . 19006 1 17 . 1 1 4 4 GLU H H 1 8.9170 0.02 . 1 . . . . 4 GLU H . 19006 1 18 . 1 1 4 4 GLU HA H 1 4.1040 0.02 . 1 . . . . 4 GLU HA . 19006 1 19 . 1 1 4 4 GLU HB2 H 1 1.5700 0.02 . 2 . . . . 4 GLU HB2 . 19006 1 20 . 1 1 4 4 GLU HB3 H 1 1.8870 0.02 . 2 . . . . 4 GLU HB3 . 19006 1 21 . 1 1 4 4 GLU HG2 H 1 2.0350 0.02 . 2 . . . . 4 GLU HG2 . 19006 1 22 . 1 1 4 4 GLU HG3 H 1 2.1380 0.02 . 2 . . . . 4 GLU HG3 . 19006 1 23 . 1 1 4 4 GLU C C 13 176.0930 0.20 . 1 . . . . 4 GLU C . 19006 1 24 . 1 1 4 4 GLU CA C 13 56.0720 0.20 . 1 . . . . 4 GLU CA . 19006 1 25 . 1 1 4 4 GLU CB C 13 30.9240 0.20 . 1 . . . . 4 GLU CB . 19006 1 26 . 1 1 4 4 GLU CG C 13 36.5410 0.20 . 1 . . . . 4 GLU CG . 19006 1 27 . 1 1 4 4 GLU N N 15 122.5010 0.20 . 1 . . . . 4 GLU N . 19006 1 28 . 1 1 5 5 LEU H H 1 8.6190 0.02 . 1 . . . . 5 LEU H . 19006 1 29 . 1 1 5 5 LEU HA H 1 4.0530 0.02 . 1 . . . . 5 LEU HA . 19006 1 30 . 1 1 5 5 LEU HB2 H 1 1.6870 0.02 . 2 . . . . 5 LEU HB2 . 19006 1 31 . 1 1 5 5 LEU HB3 H 1 1.5280 0.02 . 2 . . . . 5 LEU HB3 . 19006 1 32 . 1 1 5 5 LEU HG H 1 1.3910 0.02 . 1 . . . . 5 LEU HG . 19006 1 33 . 1 1 5 5 LEU HD11 H 1 0.7490 0.02 . 2 . . . . 5 LEU HD11 . 19006 1 34 . 1 1 5 5 LEU HD12 H 1 0.7490 0.02 . 2 . . . . 5 LEU HD11 . 19006 1 35 . 1 1 5 5 LEU HD13 H 1 0.7490 0.02 . 2 . . . . 5 LEU HD11 . 19006 1 36 . 1 1 5 5 LEU HD21 H 1 0.5850 0.02 . 2 . . . . 5 LEU HD21 . 19006 1 37 . 1 1 5 5 LEU HD22 H 1 0.5850 0.02 . 2 . . . . 5 LEU HD21 . 19006 1 38 . 1 1 5 5 LEU HD23 H 1 0.5850 0.02 . 2 . . . . 5 LEU HD21 . 19006 1 39 . 1 1 5 5 LEU C C 13 176.5510 0.20 . 1 . . . . 5 LEU C . 19006 1 40 . 1 1 5 5 LEU CA C 13 57.3600 0.20 . 1 . . . . 5 LEU CA . 19006 1 41 . 1 1 5 5 LEU CB C 13 43.9130 0.20 . 1 . . . . 5 LEU CB . 19006 1 42 . 1 1 5 5 LEU CG C 13 27.7580 0.20 . 1 . . . . 5 LEU CG . 19006 1 43 . 1 1 5 5 LEU CD1 C 13 25.8810 0.20 . 2 . . . . 5 LEU CD1 . 19006 1 44 . 1 1 5 5 LEU CD2 C 13 25.3500 0.20 . 2 . . . . 5 LEU CD2 . 19006 1 45 . 1 1 5 5 LEU N N 15 122.6590 0.20 . 1 . . . . 5 LEU N . 19006 1 46 . 1 1 6 6 ILE H H 1 7.3630 0.02 . 1 . . . . 6 ILE H . 19006 1 47 . 1 1 6 6 ILE HA H 1 4.5890 0.02 . 1 . . . . 6 ILE HA . 19006 1 48 . 1 1 6 6 ILE HB H 1 1.2830 0.02 . 1 . . . . 6 ILE HB . 19006 1 49 . 1 1 6 6 ILE HG12 H 1 1.0700 0.02 . 2 . . . . 6 ILE HG12 . 19006 1 50 . 1 1 6 6 ILE HG13 H 1 0.5090 0.02 . 2 . . . . 6 ILE HG13 . 19006 1 51 . 1 1 6 6 ILE HG21 H 1 0.1600 0.02 . 1 . . . . 6 ILE HG21 . 19006 1 52 . 1 1 6 6 ILE HG22 H 1 0.1600 0.02 . 1 . . . . 6 ILE HG21 . 19006 1 53 . 1 1 6 6 ILE HG23 H 1 0.1600 0.02 . 1 . . . . 6 ILE HG21 . 19006 1 54 . 1 1 6 6 ILE HD11 H 1 -0.1510 0.02 . 1 . . . . 6 ILE HD11 . 19006 1 55 . 1 1 6 6 ILE HD12 H 1 -0.1510 0.02 . 1 . . . . 6 ILE HD11 . 19006 1 56 . 1 1 6 6 ILE HD13 H 1 -0.1510 0.02 . 1 . . . . 6 ILE HD11 . 19006 1 57 . 1 1 6 6 ILE C C 13 172.8920 0.20 . 1 . . . . 6 ILE C . 19006 1 58 . 1 1 6 6 ILE CA C 13 59.1120 0.20 . 1 . . . . 6 ILE CA . 19006 1 59 . 1 1 6 6 ILE CB C 13 41.0110 0.20 . 1 . . . . 6 ILE CB . 19006 1 60 . 1 1 6 6 ILE CG1 C 13 27.6540 0.20 . 1 . . . . 6 ILE CG1 . 19006 1 61 . 1 1 6 6 ILE CG2 C 13 15.1060 0.20 . 1 . . . . 6 ILE CG2 . 19006 1 62 . 1 1 6 6 ILE CD1 C 13 13.7930 0.20 . 1 . . . . 6 ILE CD1 . 19006 1 63 . 1 1 6 6 ILE N N 15 110.8730 0.20 . 1 . . . . 6 ILE N . 19006 1 64 . 1 1 7 7 ASN H H 1 9.1250 0.02 . 1 . . . . 7 ASN H . 19006 1 65 . 1 1 7 7 ASN HA H 1 4.6020 0.02 . 1 . . . . 7 ASN HA . 19006 1 66 . 1 1 7 7 ASN HB3 H 1 2.2620 0.02 . 2 . . . . 7 ASN HB3 . 19006 1 67 . 1 1 7 7 ASN C C 13 175.3860 0.20 . 1 . . . . 7 ASN C . 19006 1 68 . 1 1 7 7 ASN CA C 13 51.3520 0.20 . 1 . . . . 7 ASN CA . 19006 1 69 . 1 1 7 7 ASN CB C 13 38.1040 0.20 . 1 . . . . 7 ASN CB . 19006 1 70 . 1 1 7 7 ASN N N 15 126.3060 0.20 . 1 . . . . 7 ASN N . 19006 1 71 . 1 1 8 8 LYS H H 1 8.8480 0.02 . 1 . . . . 8 LYS H . 19006 1 72 . 1 1 8 8 LYS HA H 1 3.6180 0.02 . 1 . . . . 8 LYS HA . 19006 1 73 . 1 1 8 8 LYS HB2 H 1 1.6710 0.02 . 2 . . . . 8 LYS HB2 . 19006 1 74 . 1 1 8 8 LYS HB3 H 1 1.8260 0.02 . 2 . . . . 8 LYS HB3 . 19006 1 75 . 1 1 8 8 LYS HG2 H 1 1.3770 0.02 . 2 . . . . 8 LYS HG2 . 19006 1 76 . 1 1 8 8 LYS HG3 H 1 1.0530 0.02 . 2 . . . . 8 LYS HG3 . 19006 1 77 . 1 1 8 8 LYS HD3 H 1 1.5060 0.02 . 2 . . . . 8 LYS HD3 . 19006 1 78 . 1 1 8 8 LYS HE2 H 1 2.6150 0.02 . 2 . . . . 8 LYS HE2 . 19006 1 79 . 1 1 8 8 LYS HE3 H 1 2.7980 0.02 . 2 . . . . 8 LYS HE3 . 19006 1 80 . 1 1 8 8 LYS C C 13 178.4030 0.20 . 1 . . . . 8 LYS C . 19006 1 81 . 1 1 8 8 LYS CA C 13 59.5870 0.20 . 1 . . . . 8 LYS CA . 19006 1 82 . 1 1 8 8 LYS CB C 13 31.8430 0.20 . 1 . . . . 8 LYS CB . 19006 1 83 . 1 1 8 8 LYS CG C 13 26.1640 0.20 . 1 . . . . 8 LYS CG . 19006 1 84 . 1 1 8 8 LYS CD C 13 29.0040 0.20 . 1 . . . . 8 LYS CD . 19006 1 85 . 1 1 8 8 LYS CE C 13 41.9690 0.20 . 1 . . . . 8 LYS CE . 19006 1 86 . 1 1 8 8 LYS N N 15 124.3440 0.20 . 1 . . . . 8 LYS N . 19006 1 87 . 1 1 9 9 ASN H H 1 8.3560 0.02 . 1 . . . . 9 ASN H . 19006 1 88 . 1 1 9 9 ASN HA H 1 4.2440 0.02 . 1 . . . . 9 ASN HA . 19006 1 89 . 1 1 9 9 ASN HB2 H 1 2.7560 0.02 . 2 . . . . 9 ASN HB2 . 19006 1 90 . 1 1 9 9 ASN HB3 H 1 2.5420 0.02 . 2 . . . . 9 ASN HB3 . 19006 1 91 . 1 1 9 9 ASN C C 13 177.3430 0.20 . 1 . . . . 9 ASN C . 19006 1 92 . 1 1 9 9 ASN CA C 13 56.2300 0.20 . 1 . . . . 9 ASN CA . 19006 1 93 . 1 1 9 9 ASN CB C 13 38.0760 0.20 . 1 . . . . 9 ASN CB . 19006 1 94 . 1 1 9 9 ASN N N 15 119.1250 0.20 . 1 . . . . 9 ASN N . 19006 1 95 . 1 1 10 10 LYS H H 1 7.6110 0.02 . 1 . . . . 10 LYS H . 19006 1 96 . 1 1 10 10 LYS HA H 1 3.9210 0.02 . 1 . . . . 10 LYS HA . 19006 1 97 . 1 1 10 10 LYS HB2 H 1 1.4170 0.02 . 2 . . . . 10 LYS HB2 . 19006 1 98 . 1 1 10 10 LYS HB3 H 1 1.6420 0.02 . 2 . . . . 10 LYS HB3 . 19006 1 99 . 1 1 10 10 LYS HG2 H 1 1.2400 0.02 . 2 . . . . 10 LYS HG2 . 19006 1 100 . 1 1 10 10 LYS HG3 H 1 1.0980 0.02 . 2 . . . . 10 LYS HG3 . 19006 1 101 . 1 1 10 10 LYS HD3 H 1 1.2500 0.02 . 2 . . . . 10 LYS HD3 . 19006 1 102 . 1 1 10 10 LYS HE2 H 1 2.8770 0.02 . 2 . . . . 10 LYS HE2 . 19006 1 103 . 1 1 10 10 LYS HE3 H 1 2.7460 0.02 . 2 . . . . 10 LYS HE3 . 19006 1 104 . 1 1 10 10 LYS C C 13 178.6680 0.20 . 1 . . . . 10 LYS C . 19006 1 105 . 1 1 10 10 LYS CA C 13 58.5920 0.20 . 1 . . . . 10 LYS CA . 19006 1 106 . 1 1 10 10 LYS CB C 13 32.4140 0.20 . 1 . . . . 10 LYS CB . 19006 1 107 . 1 1 10 10 LYS CG C 13 25.3110 0.20 . 1 . . . . 10 LYS CG . 19006 1 108 . 1 1 10 10 LYS CD C 13 29.2940 0.20 . 1 . . . . 10 LYS CD . 19006 1 109 . 1 1 10 10 LYS CE C 13 42.1710 0.20 . 1 . . . . 10 LYS CE . 19006 1 110 . 1 1 10 10 LYS N N 15 121.0820 0.20 . 1 . . . . 10 LYS N . 19006 1 111 . 1 1 11 11 ILE H H 1 7.4640 0.02 . 1 . . . . 11 ILE H . 19006 1 112 . 1 1 11 11 ILE HA H 1 3.5480 0.02 . 1 . . . . 11 ILE HA . 19006 1 113 . 1 1 11 11 ILE HB H 1 1.9550 0.02 . 1 . . . . 11 ILE HB . 19006 1 114 . 1 1 11 11 ILE HG12 H 1 1.4510 0.02 . 2 . . . . 11 ILE HG12 . 19006 1 115 . 1 1 11 11 ILE HG13 H 1 1.7570 0.02 . 2 . . . . 11 ILE HG13 . 19006 1 116 . 1 1 11 11 ILE HG21 H 1 1.1360 0.02 . 1 . . . . 11 ILE HG21 . 19006 1 117 . 1 1 11 11 ILE HG22 H 1 1.1360 0.02 . 1 . . . . 11 ILE HG21 . 19006 1 118 . 1 1 11 11 ILE HG23 H 1 1.1360 0.02 . 1 . . . . 11 ILE HG21 . 19006 1 119 . 1 1 11 11 ILE HD11 H 1 0.7520 0.02 . 1 . . . . 11 ILE HD11 . 19006 1 120 . 1 1 11 11 ILE HD12 H 1 0.7520 0.02 . 1 . . . . 11 ILE HD11 . 19006 1 121 . 1 1 11 11 ILE HD13 H 1 0.7520 0.02 . 1 . . . . 11 ILE HD11 . 19006 1 122 . 1 1 11 11 ILE C C 13 176.6040 0.20 . 1 . . . . 11 ILE C . 19006 1 123 . 1 1 11 11 ILE CA C 13 64.0960 0.20 . 1 . . . . 11 ILE CA . 19006 1 124 . 1 1 11 11 ILE CB C 13 37.2270 0.20 . 1 . . . . 11 ILE CB . 19006 1 125 . 1 1 11 11 ILE CG1 C 13 28.9420 0.20 . 1 . . . . 11 ILE CG1 . 19006 1 126 . 1 1 11 11 ILE CG2 C 13 17.3180 0.20 . 1 . . . . 11 ILE CG2 . 19006 1 127 . 1 1 11 11 ILE CD1 C 13 12.6980 0.20 . 1 . . . . 11 ILE CD1 . 19006 1 128 . 1 1 11 11 ILE N N 15 119.8310 0.20 . 1 . . . . 11 ILE N . 19006 1 129 . 1 1 12 12 ALA H H 1 7.7980 0.02 . 1 . . . . 12 ALA H . 19006 1 130 . 1 1 12 12 ALA HA H 1 3.9210 0.02 . 1 . . . . 12 ALA HA . 19006 1 131 . 1 1 12 12 ALA HB1 H 1 1.2800 0.02 . 1 . . . . 12 ALA HB1 . 19006 1 132 . 1 1 12 12 ALA HB2 H 1 1.2800 0.02 . 1 . . . . 12 ALA HB1 . 19006 1 133 . 1 1 12 12 ALA HB3 H 1 1.2800 0.02 . 1 . . . . 12 ALA HB1 . 19006 1 134 . 1 1 12 12 ALA C C 13 179.9740 0.20 . 1 . . . . 12 ALA C . 19006 1 135 . 1 1 12 12 ALA CA C 13 55.0610 0.20 . 1 . . . . 12 ALA CA . 19006 1 136 . 1 1 12 12 ALA CB C 13 17.7620 0.20 . 1 . . . . 12 ALA CB . 19006 1 137 . 1 1 12 12 ALA N N 15 122.1920 0.20 . 1 . . . . 12 ALA N . 19006 1 138 . 1 1 13 13 HIS H H 1 7.8220 0.02 . 1 . . . . 13 HIS H . 19006 1 139 . 1 1 13 13 HIS HA H 1 4.3790 0.02 . 1 . . . . 13 HIS HA . 19006 1 140 . 1 1 13 13 HIS HB2 H 1 3.1600 0.02 . 2 . . . . 13 HIS HB2 . 19006 1 141 . 1 1 13 13 HIS HB3 H 1 3.0570 0.02 . 2 . . . . 13 HIS HB3 . 19006 1 142 . 1 1 13 13 HIS C C 13 176.4250 0.20 . 1 . . . . 13 HIS C . 19006 1 143 . 1 1 13 13 HIS CA C 13 59.0340 0.20 . 1 . . . . 13 HIS CA . 19006 1 144 . 1 1 13 13 HIS CB C 13 28.8240 0.20 . 1 . . . . 13 HIS CB . 19006 1 145 . 1 1 13 13 HIS N N 15 117.4950 0.20 . 1 . . . . 13 HIS N . 19006 1 146 . 1 1 14 14 LEU H H 1 8.0850 0.02 . 1 . . . . 14 LEU H . 19006 1 147 . 1 1 14 14 LEU HA H 1 3.8150 0.02 . 1 . . . . 14 LEU HA . 19006 1 148 . 1 1 14 14 LEU HB2 H 1 1.4940 0.02 . 2 . . . . 14 LEU HB2 . 19006 1 149 . 1 1 14 14 LEU HB3 H 1 1.4130 0.02 . 2 . . . . 14 LEU HB3 . 19006 1 150 . 1 1 14 14 LEU HG H 1 1.2500 0.02 . 1 . . . . 14 LEU HG . 19006 1 151 . 1 1 14 14 LEU HD11 H 1 0.4420 0.02 . 2 . . . . 14 LEU HD11 . 19006 1 152 . 1 1 14 14 LEU HD12 H 1 0.4420 0.02 . 2 . . . . 14 LEU HD11 . 19006 1 153 . 1 1 14 14 LEU HD13 H 1 0.4420 0.02 . 2 . . . . 14 LEU HD11 . 19006 1 154 . 1 1 14 14 LEU HD21 H 1 0.5610 0.02 . 2 . . . . 14 LEU HD21 . 19006 1 155 . 1 1 14 14 LEU HD22 H 1 0.5610 0.02 . 2 . . . . 14 LEU HD21 . 19006 1 156 . 1 1 14 14 LEU HD23 H 1 0.5610 0.02 . 2 . . . . 14 LEU HD21 . 19006 1 157 . 1 1 14 14 LEU C C 13 177.8860 0.20 . 1 . . . . 14 LEU C . 19006 1 158 . 1 1 14 14 LEU CA C 13 58.0960 0.20 . 1 . . . . 14 LEU CA . 19006 1 159 . 1 1 14 14 LEU CB C 13 41.8480 0.20 . 1 . . . . 14 LEU CB . 19006 1 160 . 1 1 14 14 LEU CG C 13 26.4900 0.20 . 1 . . . . 14 LEU CG . 19006 1 161 . 1 1 14 14 LEU CD1 C 13 25.2110 0.20 . 2 . . . . 14 LEU CD1 . 19006 1 162 . 1 1 14 14 LEU CD2 C 13 23.3620 0.20 . 2 . . . . 14 LEU CD2 . 19006 1 163 . 1 1 14 14 LEU N N 15 122.1890 0.20 . 1 . . . . 14 LEU N . 19006 1 164 . 1 1 15 15 ALA H H 1 8.3330 0.02 . 1 . . . . 15 ALA H . 19006 1 165 . 1 1 15 15 ALA HA H 1 3.3640 0.02 . 1 . . . . 15 ALA HA . 19006 1 166 . 1 1 15 15 ALA HB1 H 1 1.2330 0.02 . 1 . . . . 15 ALA HB1 . 19006 1 167 . 1 1 15 15 ALA HB2 H 1 1.2330 0.02 . 1 . . . . 15 ALA HB1 . 19006 1 168 . 1 1 15 15 ALA HB3 H 1 1.2330 0.02 . 1 . . . . 15 ALA HB1 . 19006 1 169 . 1 1 15 15 ALA C C 13 179.3260 0.20 . 1 . . . . 15 ALA C . 19006 1 170 . 1 1 15 15 ALA CA C 13 55.2180 0.20 . 1 . . . . 15 ALA CA . 19006 1 171 . 1 1 15 15 ALA CB C 13 18.4340 0.20 . 1 . . . . 15 ALA CB . 19006 1 172 . 1 1 15 15 ALA N N 15 119.4710 0.20 . 1 . . . . 15 ALA N . 19006 1 173 . 1 1 16 16 GLN H H 1 7.5680 0.02 . 1 . . . . 16 GLN H . 19006 1 174 . 1 1 16 16 GLN HA H 1 3.7810 0.02 . 1 . . . . 16 GLN HA . 19006 1 175 . 1 1 16 16 GLN HB2 H 1 1.7690 0.02 . 2 . . . . 16 GLN HB2 . 19006 1 176 . 1 1 16 16 GLN HB3 H 1 1.8950 0.02 . 2 . . . . 16 GLN HB3 . 19006 1 177 . 1 1 16 16 GLN HG2 H 1 2.0900 0.02 . 2 . . . . 16 GLN HG2 . 19006 1 178 . 1 1 16 16 GLN HG3 H 1 2.1810 0.02 . 2 . . . . 16 GLN HG3 . 19006 1 179 . 1 1 16 16 GLN C C 13 176.9520 0.20 . 1 . . . . 16 GLN C . 19006 1 180 . 1 1 16 16 GLN CA C 13 58.2400 0.20 . 1 . . . . 16 GLN CA . 19006 1 181 . 1 1 16 16 GLN CB C 13 28.5060 0.20 . 1 . . . . 16 GLN CB . 19006 1 182 . 1 1 16 16 GLN CG C 13 34.0380 0.20 . 1 . . . . 16 GLN CG . 19006 1 183 . 1 1 16 16 GLN N N 15 115.7570 0.20 . 1 . . . . 16 GLN N . 19006 1 184 . 1 1 17 17 GLU H H 1 7.7480 0.02 . 1 . . . . 17 GLU H . 19006 1 185 . 1 1 17 17 GLU HA H 1 3.8770 0.02 . 1 . . . . 17 GLU HA . 19006 1 186 . 1 1 17 17 GLU HB3 H 1 1.8280 0.02 . 2 . . . . 17 GLU HB3 . 19006 1 187 . 1 1 17 17 GLU HG3 H 1 1.9630 0.02 . 2 . . . . 17 GLU HG3 . 19006 1 188 . 1 1 17 17 GLU C C 13 178.1310 0.20 . 1 . . . . 17 GLU C . 19006 1 189 . 1 1 17 17 GLU CA C 13 58.9650 0.20 . 1 . . . . 17 GLU CA . 19006 1 190 . 1 1 17 17 GLU CB C 13 30.7860 0.20 . 1 . . . . 17 GLU CB . 19006 1 191 . 1 1 17 17 GLU CG C 13 36.0160 0.20 . 1 . . . . 17 GLU CG . 19006 1 192 . 1 1 17 17 GLU N N 15 118.7240 0.20 . 1 . . . . 17 GLU N . 19006 1 193 . 1 1 18 18 ILE H H 1 8.2590 0.02 . 1 . . . . 18 ILE H . 19006 1 194 . 1 1 18 18 ILE HA H 1 4.2930 0.02 . 1 . . . . 18 ILE HA . 19006 1 195 . 1 1 18 18 ILE HB H 1 1.8590 0.02 . 1 . . . . 18 ILE HB . 19006 1 196 . 1 1 18 18 ILE HG12 H 1 0.5210 0.02 . 2 . . . . 18 ILE HG12 . 19006 1 197 . 1 1 18 18 ILE HG13 H 1 0.5990 0.02 . 2 . . . . 18 ILE HG13 . 19006 1 198 . 1 1 18 18 ILE HG21 H 1 0.5680 0.02 . 1 . . . . 18 ILE HG21 . 19006 1 199 . 1 1 18 18 ILE HG22 H 1 0.5680 0.02 . 1 . . . . 18 ILE HG21 . 19006 1 200 . 1 1 18 18 ILE HG23 H 1 0.5680 0.02 . 1 . . . . 18 ILE HG21 . 19006 1 201 . 1 1 18 18 ILE HD11 H 1 0.4280 0.02 . 1 . . . . 18 ILE HD11 . 19006 1 202 . 1 1 18 18 ILE HD12 H 1 0.4280 0.02 . 1 . . . . 18 ILE HD11 . 19006 1 203 . 1 1 18 18 ILE HD13 H 1 0.4280 0.02 . 1 . . . . 18 ILE HD11 . 19006 1 204 . 1 1 18 18 ILE C C 13 176.1310 0.20 . 1 . . . . 18 ILE C . 19006 1 205 . 1 1 18 18 ILE CA C 13 61.2150 0.20 . 1 . . . . 18 ILE CA . 19006 1 206 . 1 1 18 18 ILE CB C 13 40.0710 0.20 . 1 . . . . 18 ILE CB . 19006 1 207 . 1 1 18 18 ILE CG1 C 13 25.0350 0.20 . 1 . . . . 18 ILE CG1 . 19006 1 208 . 1 1 18 18 ILE CG2 C 13 17.7950 0.20 . 1 . . . . 18 ILE CG2 . 19006 1 209 . 1 1 18 18 ILE CD1 C 13 15.1180 0.20 . 1 . . . . 18 ILE CD1 . 19006 1 210 . 1 1 18 18 ILE N N 15 109.5320 0.20 . 1 . . . . 18 ILE N . 19006 1 211 . 1 1 19 19 GLY H H 1 7.7620 0.02 . 1 . . . . 19 GLY H . 19006 1 212 . 1 1 19 19 GLY HA2 H 1 3.5470 0.02 . 2 . . . . 19 GLY HA2 . 19006 1 213 . 1 1 19 19 GLY HA3 H 1 4.3340 0.02 . 2 . . . . 19 GLY HA3 . 19006 1 214 . 1 1 19 19 GLY C C 13 175.0660 0.20 . 1 . . . . 19 GLY C . 19006 1 215 . 1 1 19 19 GLY CA C 13 45.1110 0.20 . 1 . . . . 19 GLY CA . 19006 1 216 . 1 1 19 19 GLY N N 15 114.0620 0.20 . 1 . . . . 19 GLY N . 19006 1 217 . 1 1 20 20 GLU H H 1 8.9810 0.02 . 1 . . . . 20 GLU H . 19006 1 218 . 1 1 20 20 GLU HA H 1 3.6010 0.02 . 1 . . . . 20 GLU HA . 19006 1 219 . 1 1 20 20 GLU HB2 H 1 1.4280 0.02 . 2 . . . . 20 GLU HB2 . 19006 1 220 . 1 1 20 20 GLU HB3 H 1 1.8200 0.02 . 2 . . . . 20 GLU HB3 . 19006 1 221 . 1 1 20 20 GLU HG3 H 1 2.0720 0.02 . 2 . . . . 20 GLU HG3 . 19006 1 222 . 1 1 20 20 GLU C C 13 178.1980 0.20 . 1 . . . . 20 GLU C . 19006 1 223 . 1 1 20 20 GLU CA C 13 60.3780 0.20 . 1 . . . . 20 GLU CA . 19006 1 224 . 1 1 20 20 GLU CB C 13 29.8230 0.20 . 1 . . . . 20 GLU CB . 19006 1 225 . 1 1 20 20 GLU CG C 13 36.2070 0.20 . 1 . . . . 20 GLU CG . 19006 1 226 . 1 1 20 20 GLU N N 15 126.3850 0.20 . 1 . . . . 20 GLU N . 19006 1 227 . 1 1 21 21 GLU H H 1 9.8030 0.02 . 1 . . . . 21 GLU H . 19006 1 228 . 1 1 21 21 GLU HA H 1 3.9580 0.02 . 1 . . . . 21 GLU HA . 19006 1 229 . 1 1 21 21 GLU HB2 H 1 1.6370 0.02 . 2 . . . . 21 GLU HB2 . 19006 1 230 . 1 1 21 21 GLU HB3 H 1 1.7900 0.02 . 2 . . . . 21 GLU HB3 . 19006 1 231 . 1 1 21 21 GLU HG2 H 1 1.9870 0.02 . 2 . . . . 21 GLU HG2 . 19006 1 232 . 1 1 21 21 GLU HG3 H 1 2.0920 0.02 . 2 . . . . 21 GLU HG3 . 19006 1 233 . 1 1 21 21 GLU C C 13 176.5320 0.20 . 1 . . . . 21 GLU C . 19006 1 234 . 1 1 21 21 GLU CA C 13 58.2680 0.20 . 1 . . . . 21 GLU CA . 19006 1 235 . 1 1 21 21 GLU CB C 13 28.5160 0.20 . 1 . . . . 21 GLU CB . 19006 1 236 . 1 1 21 21 GLU CG C 13 35.7870 0.20 . 1 . . . . 21 GLU CG . 19006 1 237 . 1 1 21 21 GLU N N 15 117.7210 0.20 . 1 . . . . 21 GLU N . 19006 1 238 . 1 1 22 22 ASN H H 1 7.7980 0.02 . 1 . . . . 22 ASN H . 19006 1 239 . 1 1 22 22 ASN HA H 1 4.7220 0.02 . 1 . . . . 22 ASN HA . 19006 1 240 . 1 1 22 22 ASN HB2 H 1 2.3010 0.02 . 2 . . . . 22 ASN HB2 . 19006 1 241 . 1 1 22 22 ASN HB3 H 1 2.7220 0.02 . 2 . . . . 22 ASN HB3 . 19006 1 242 . 1 1 22 22 ASN HD21 H 1 6.9610 0.02 . 2 . . . . 22 ASN HD21 . 19006 1 243 . 1 1 22 22 ASN HD22 H 1 7.8280 0.02 . 2 . . . . 22 ASN HD22 . 19006 1 244 . 1 1 22 22 ASN C C 13 175.4270 0.20 . 1 . . . . 22 ASN C . 19006 1 245 . 1 1 22 22 ASN CA C 13 54.1000 0.20 . 1 . . . . 22 ASN CA . 19006 1 246 . 1 1 22 22 ASN CB C 13 39.6550 0.20 . 1 . . . . 22 ASN CB . 19006 1 247 . 1 1 22 22 ASN N N 15 115.5200 0.20 . 1 . . . . 22 ASN N . 19006 1 248 . 1 1 22 22 ASN ND2 N 15 114.5270 0.20 . 1 . . . . 22 ASN ND2 . 19006 1 249 . 1 1 23 23 VAL H H 1 7.4470 0.02 . 1 . . . . 23 VAL H . 19006 1 250 . 1 1 23 23 VAL HA H 1 3.6390 0.02 . 1 . . . . 23 VAL HA . 19006 1 251 . 1 1 23 23 VAL HB H 1 2.4190 0.02 . 1 . . . . 23 VAL HB . 19006 1 252 . 1 1 23 23 VAL HG11 H 1 1.0620 0.02 . 2 . . . . 23 VAL HG11 . 19006 1 253 . 1 1 23 23 VAL HG12 H 1 1.0620 0.02 . 2 . . . . 23 VAL HG11 . 19006 1 254 . 1 1 23 23 VAL HG13 H 1 1.0620 0.02 . 2 . . . . 23 VAL HG11 . 19006 1 255 . 1 1 23 23 VAL C C 13 173.5030 0.20 . 1 . . . . 23 VAL C . 19006 1 256 . 1 1 23 23 VAL CA C 13 68.4360 0.20 . 1 . . . . 23 VAL CA . 19006 1 257 . 1 1 23 23 VAL CB C 13 29.9930 0.20 . 1 . . . . 23 VAL CB . 19006 1 258 . 1 1 23 23 VAL N N 15 121.1730 0.20 . 1 . . . . 23 VAL N . 19006 1 259 . 1 1 24 24 PRO HA H 1 3.9720 0.02 . 1 . . . . 24 PRO HA . 19006 1 260 . 1 1 24 24 PRO HB2 H 1 1.7370 0.02 . 2 . . . . 24 PRO HB2 . 19006 1 261 . 1 1 24 24 PRO HB3 H 1 1.6290 0.02 . 2 . . . . 24 PRO HB3 . 19006 1 262 . 1 1 24 24 PRO HG2 H 1 1.8240 0.02 . 2 . . . . 24 PRO HG2 . 19006 1 263 . 1 1 24 24 PRO HG3 H 1 2.1410 0.02 . 2 . . . . 24 PRO HG3 . 19006 1 264 . 1 1 24 24 PRO HD2 H 1 3.4780 0.02 . 2 . . . . 24 PRO HD2 . 19006 1 265 . 1 1 24 24 PRO HD3 H 1 3.5720 0.02 . 2 . . . . 24 PRO HD3 . 19006 1 266 . 1 1 24 24 PRO C C 13 177.6840 0.20 . 1 . . . . 24 PRO C . 19006 1 267 . 1 1 24 24 PRO CA C 13 66.3480 0.20 . 1 . . . . 24 PRO CA . 19006 1 268 . 1 1 24 24 PRO CB C 13 31.2770 0.20 . 1 . . . . 24 PRO CB . 19006 1 269 . 1 1 24 24 PRO CG C 13 28.4630 0.20 . 1 . . . . 24 PRO CG . 19006 1 270 . 1 1 24 24 PRO CD C 13 50.2520 0.20 . 1 . . . . 24 PRO CD . 19006 1 271 . 1 1 25 25 ILE H H 1 6.6950 0.02 . 1 . . . . 25 ILE H . 19006 1 272 . 1 1 25 25 ILE HA H 1 3.6370 0.02 . 1 . . . . 25 ILE HA . 19006 1 273 . 1 1 25 25 ILE HB H 1 1.6710 0.02 . 1 . . . . 25 ILE HB . 19006 1 274 . 1 1 25 25 ILE HG12 H 1 1.2740 0.02 . 2 . . . . 25 ILE HG12 . 19006 1 275 . 1 1 25 25 ILE HG13 H 1 1.4170 0.02 . 2 . . . . 25 ILE HG13 . 19006 1 276 . 1 1 25 25 ILE HD11 H 1 0.7690 0.02 . 1 . . . . 25 ILE HD11 . 19006 1 277 . 1 1 25 25 ILE HD12 H 1 0.7690 0.02 . 1 . . . . 25 ILE HD11 . 19006 1 278 . 1 1 25 25 ILE HD13 H 1 0.7690 0.02 . 1 . . . . 25 ILE HD11 . 19006 1 279 . 1 1 25 25 ILE C C 13 177.9110 0.20 . 1 . . . . 25 ILE C . 19006 1 280 . 1 1 25 25 ILE CA C 13 63.8900 0.20 . 1 . . . . 25 ILE CA . 19006 1 281 . 1 1 25 25 ILE CB C 13 38.0980 0.20 . 1 . . . . 25 ILE CB . 19006 1 282 . 1 1 25 25 ILE CG1 C 13 28.5980 0.20 . 1 . . . . 25 ILE CG1 . 19006 1 283 . 1 1 25 25 ILE CG2 C 13 17.1700 0.20 . 1 . . . . 25 ILE CG2 . 19006 1 284 . 1 1 25 25 ILE CD1 C 13 12.7570 0.20 . 1 . . . . 25 ILE CD1 . 19006 1 285 . 1 1 25 25 ILE N N 15 115.9450 0.20 . 1 . . . . 25 ILE N . 19006 1 286 . 1 1 26 26 LEU H H 1 7.5850 0.02 . 1 . . . . 26 LEU H . 19006 1 287 . 1 1 26 26 LEU HA H 1 3.6820 0.02 . 1 . . . . 26 LEU HA . 19006 1 288 . 1 1 26 26 LEU HB3 H 1 1.9210 0.02 . 2 . . . . 26 LEU HB3 . 19006 1 289 . 1 1 26 26 LEU HG H 1 1.6060 0.02 . 1 . . . . 26 LEU HG . 19006 1 290 . 1 1 26 26 LEU HD11 H 1 0.6660 0.02 . 2 . . . . 26 LEU HD11 . 19006 1 291 . 1 1 26 26 LEU HD12 H 1 0.6660 0.02 . 2 . . . . 26 LEU HD11 . 19006 1 292 . 1 1 26 26 LEU HD13 H 1 0.6660 0.02 . 2 . . . . 26 LEU HD11 . 19006 1 293 . 1 1 26 26 LEU HD21 H 1 0.7270 0.02 . 2 . . . . 26 LEU HD21 . 19006 1 294 . 1 1 26 26 LEU HD22 H 1 0.7270 0.02 . 2 . . . . 26 LEU HD21 . 19006 1 295 . 1 1 26 26 LEU HD23 H 1 0.7270 0.02 . 2 . . . . 26 LEU HD21 . 19006 1 296 . 1 1 26 26 LEU C C 13 179.5730 0.20 . 1 . . . . 26 LEU C . 19006 1 297 . 1 1 26 26 LEU CA C 13 57.5300 0.20 . 1 . . . . 26 LEU CA . 19006 1 298 . 1 1 26 26 LEU CB C 13 41.4140 0.20 . 1 . . . . 26 LEU CB . 19006 1 299 . 1 1 26 26 LEU CG C 13 27.4370 0.20 . 1 . . . . 26 LEU CG . 19006 1 300 . 1 1 26 26 LEU CD1 C 13 25.3730 0.20 . 2 . . . . 26 LEU CD1 . 19006 1 301 . 1 1 26 26 LEU CD2 C 13 23.1370 0.20 . 2 . . . . 26 LEU CD2 . 19006 1 302 . 1 1 26 26 LEU N N 15 119.7350 0.20 . 1 . . . . 26 LEU N . 19006 1 303 . 1 1 27 27 LEU H H 1 8.8900 0.02 . 1 . . . . 27 LEU H . 19006 1 304 . 1 1 27 27 LEU HA H 1 3.5000 0.02 . 1 . . . . 27 LEU HA . 19006 1 305 . 1 1 27 27 LEU HB2 H 1 1.4830 0.02 . 2 . . . . 27 LEU HB2 . 19006 1 306 . 1 1 27 27 LEU HB3 H 1 1.2880 0.02 . 2 . . . . 27 LEU HB3 . 19006 1 307 . 1 1 27 27 LEU HG H 1 1.1540 0.02 . 1 . . . . 27 LEU HG . 19006 1 308 . 1 1 27 27 LEU HD11 H 1 0.6240 0.02 . 2 . . . . 27 LEU HD11 . 19006 1 309 . 1 1 27 27 LEU HD12 H 1 0.6240 0.02 . 2 . . . . 27 LEU HD11 . 19006 1 310 . 1 1 27 27 LEU HD13 H 1 0.6240 0.02 . 2 . . . . 27 LEU HD11 . 19006 1 311 . 1 1 27 27 LEU HD21 H 1 0.2660 0.02 . 2 . . . . 27 LEU HD21 . 19006 1 312 . 1 1 27 27 LEU HD22 H 1 0.2660 0.02 . 2 . . . . 27 LEU HD21 . 19006 1 313 . 1 1 27 27 LEU HD23 H 1 0.2660 0.02 . 2 . . . . 27 LEU HD21 . 19006 1 314 . 1 1 27 27 LEU C C 13 177.3820 0.20 . 1 . . . . 27 LEU C . 19006 1 315 . 1 1 27 27 LEU CA C 13 57.6550 0.20 . 1 . . . . 27 LEU CA . 19006 1 316 . 1 1 27 27 LEU CB C 13 41.6970 0.20 . 1 . . . . 27 LEU CB . 19006 1 317 . 1 1 27 27 LEU CG C 13 26.9660 0.20 . 1 . . . . 27 LEU CG . 19006 1 318 . 1 1 27 27 LEU CD1 C 13 24.9220 0.20 . 2 . . . . 27 LEU CD1 . 19006 1 319 . 1 1 27 27 LEU CD2 C 13 26.0370 0.20 . 2 . . . . 27 LEU CD2 . 19006 1 320 . 1 1 27 27 LEU N N 15 120.6790 0.20 . 1 . . . . 27 LEU N . 19006 1 321 . 1 1 28 28 ASP H H 1 7.8330 0.02 . 1 . . . . 28 ASP H . 19006 1 322 . 1 1 28 28 ASP HA H 1 4.1280 0.02 . 1 . . . . 28 ASP HA . 19006 1 323 . 1 1 28 28 ASP HB2 H 1 2.4040 0.02 . 2 . . . . 28 ASP HB2 . 19006 1 324 . 1 1 28 28 ASP HB3 H 1 2.5570 0.02 . 2 . . . . 28 ASP HB3 . 19006 1 325 . 1 1 28 28 ASP C C 13 178.6450 0.20 . 1 . . . . 28 ASP C . 19006 1 326 . 1 1 28 28 ASP CA C 13 57.8590 0.20 . 1 . . . . 28 ASP CA . 19006 1 327 . 1 1 28 28 ASP CB C 13 41.0580 0.20 . 1 . . . . 28 ASP CB . 19006 1 328 . 1 1 28 28 ASP N N 15 118.7380 0.20 . 1 . . . . 28 ASP N . 19006 1 329 . 1 1 29 29 ILE H H 1 7.3140 0.02 . 1 . . . . 29 ILE H . 19006 1 330 . 1 1 29 29 ILE HA H 1 3.4720 0.02 . 1 . . . . 29 ILE HA . 19006 1 331 . 1 1 29 29 ILE HB H 1 1.8310 0.02 . 1 . . . . 29 ILE HB . 19006 1 332 . 1 1 29 29 ILE HG12 H 1 1.0470 0.02 . 2 . . . . 29 ILE HG12 . 19006 1 333 . 1 1 29 29 ILE HG13 H 1 1.3930 0.02 . 2 . . . . 29 ILE HG13 . 19006 1 334 . 1 1 29 29 ILE HG21 H 1 0.9200 0.02 . 1 . . . . 29 ILE HG21 . 19006 1 335 . 1 1 29 29 ILE HG22 H 1 0.9200 0.02 . 1 . . . . 29 ILE HG21 . 19006 1 336 . 1 1 29 29 ILE HG23 H 1 0.9200 0.02 . 1 . . . . 29 ILE HG21 . 19006 1 337 . 1 1 29 29 ILE HD11 H 1 0.6850 0.02 . 1 . . . . 29 ILE HD11 . 19006 1 338 . 1 1 29 29 ILE HD12 H 1 0.6850 0.02 . 1 . . . . 29 ILE HD11 . 19006 1 339 . 1 1 29 29 ILE HD13 H 1 0.6850 0.02 . 1 . . . . 29 ILE HD11 . 19006 1 340 . 1 1 29 29 ILE C C 13 177.8570 0.20 . 1 . . . . 29 ILE C . 19006 1 341 . 1 1 29 29 ILE CA C 13 65.1730 0.20 . 1 . . . . 29 ILE CA . 19006 1 342 . 1 1 29 29 ILE CB C 13 38.1420 0.20 . 1 . . . . 29 ILE CB . 19006 1 343 . 1 1 29 29 ILE CG1 C 13 28.8470 0.20 . 1 . . . . 29 ILE CG1 . 19006 1 344 . 1 1 29 29 ILE CG2 C 13 17.0840 0.20 . 1 . . . . 29 ILE CG2 . 19006 1 345 . 1 1 29 29 ILE CD1 C 13 13.3410 0.20 . 1 . . . . 29 ILE CD1 . 19006 1 346 . 1 1 29 29 ILE N N 15 120.2740 0.20 . 1 . . . . 29 ILE N . 19006 1 347 . 1 1 30 30 PHE H H 1 7.7230 0.02 . 1 . . . . 30 PHE H . 19006 1 348 . 1 1 30 30 PHE HA H 1 4.3150 0.02 . 1 . . . . 30 PHE HA . 19006 1 349 . 1 1 30 30 PHE HB2 H 1 2.2450 0.02 . 2 . . . . 30 PHE HB2 . 19006 1 350 . 1 1 30 30 PHE HB3 H 1 2.3850 0.02 . 2 . . . . 30 PHE HB3 . 19006 1 351 . 1 1 30 30 PHE C C 13 176.7770 0.20 . 1 . . . . 30 PHE C . 19006 1 352 . 1 1 30 30 PHE CA C 13 59.3810 0.20 . 1 . . . . 30 PHE CA . 19006 1 353 . 1 1 30 30 PHE CB C 13 39.3710 0.20 . 1 . . . . 30 PHE CB . 19006 1 354 . 1 1 30 30 PHE N N 15 122.6850 0.20 . 1 . . . . 30 PHE N . 19006 1 355 . 1 1 31 31 LEU H H 1 8.8790 0.02 . 1 . . . . 31 LEU H . 19006 1 356 . 1 1 31 31 LEU HA H 1 3.2550 0.02 . 1 . . . . 31 LEU HA . 19006 1 357 . 1 1 31 31 LEU HB2 H 1 1.6240 0.02 . 2 . . . . 31 LEU HB2 . 19006 1 358 . 1 1 31 31 LEU HB3 H 1 1.5130 0.02 . 2 . . . . 31 LEU HB3 . 19006 1 359 . 1 1 31 31 LEU HG H 1 0.9790 0.02 . 1 . . . . 31 LEU HG . 19006 1 360 . 1 1 31 31 LEU HD11 H 1 0.4870 0.02 . 2 . . . . 31 LEU HD11 . 19006 1 361 . 1 1 31 31 LEU HD12 H 1 0.4870 0.02 . 2 . . . . 31 LEU HD11 . 19006 1 362 . 1 1 31 31 LEU HD13 H 1 0.4870 0.02 . 2 . . . . 31 LEU HD11 . 19006 1 363 . 1 1 31 31 LEU HD21 H 1 0.1690 0.02 . 2 . . . . 31 LEU HD21 . 19006 1 364 . 1 1 31 31 LEU HD22 H 1 0.1690 0.02 . 2 . . . . 31 LEU HD21 . 19006 1 365 . 1 1 31 31 LEU HD23 H 1 0.1690 0.02 . 2 . . . . 31 LEU HD21 . 19006 1 366 . 1 1 31 31 LEU C C 13 179.1590 0.20 . 1 . . . . 31 LEU C . 19006 1 367 . 1 1 31 31 LEU CA C 13 58.2120 0.20 . 1 . . . . 31 LEU CA . 19006 1 368 . 1 1 31 31 LEU CB C 13 40.7490 0.20 . 1 . . . . 31 LEU CB . 19006 1 369 . 1 1 31 31 LEU CG C 13 26.7740 0.20 . 1 . . . . 31 LEU CG . 19006 1 370 . 1 1 31 31 LEU CD1 C 13 25.6680 0.20 . 2 . . . . 31 LEU CD1 . 19006 1 371 . 1 1 31 31 LEU CD2 C 13 23.3350 0.20 . 2 . . . . 31 LEU CD2 . 19006 1 372 . 1 1 31 31 LEU N N 15 117.5640 0.20 . 1 . . . . 31 LEU N . 19006 1 373 . 1 1 32 32 SER H H 1 7.9990 0.02 . 1 . . . . 32 SER H . 19006 1 374 . 1 1 32 32 SER HA H 1 3.8930 0.02 . 1 . . . . 32 SER HA . 19006 1 375 . 1 1 32 32 SER HB3 H 1 4.1610 0.02 . 2 . . . . 32 SER HB3 . 19006 1 376 . 1 1 32 32 SER C C 13 176.5090 0.20 . 1 . . . . 32 SER C . 19006 1 377 . 1 1 32 32 SER CA C 13 61.8570 0.20 . 1 . . . . 32 SER CA . 19006 1 378 . 1 1 32 32 SER CB C 13 62.4140 0.20 . 1 . . . . 32 SER CB . 19006 1 379 . 1 1 32 32 SER N N 15 116.0720 0.20 . 1 . . . . 32 SER N . 19006 1 380 . 1 1 33 33 GLU H H 1 7.9580 0.02 . 1 . . . . 33 GLU H . 19006 1 381 . 1 1 33 33 GLU HA H 1 3.4520 0.02 . 1 . . . . 33 GLU HA . 19006 1 382 . 1 1 33 33 GLU HB2 H 1 1.4640 0.02 . 2 . . . . 33 GLU HB2 . 19006 1 383 . 1 1 33 33 GLU HB3 H 1 1.7390 0.02 . 2 . . . . 33 GLU HB3 . 19006 1 384 . 1 1 33 33 GLU HG2 H 1 1.9150 0.02 . 2 . . . . 33 GLU HG2 . 19006 1 385 . 1 1 33 33 GLU HG3 H 1 2.0220 0.02 . 2 . . . . 33 GLU HG3 . 19006 1 386 . 1 1 33 33 GLU C C 13 176.3750 0.20 . 1 . . . . 33 GLU C . 19006 1 387 . 1 1 33 33 GLU CA C 13 59.2660 0.20 . 1 . . . . 33 GLU CA . 19006 1 388 . 1 1 33 33 GLU CB C 13 28.4210 0.20 . 1 . . . . 33 GLU CB . 19006 1 389 . 1 1 33 33 GLU CG C 13 36.1540 0.20 . 1 . . . . 33 GLU CG . 19006 1 390 . 1 1 33 33 GLU N N 15 126.3430 0.20 . 1 . . . . 33 GLU N . 19006 1 391 . 1 1 34 34 LEU H H 1 7.9940 0.02 . 1 . . . . 34 LEU H . 19006 1 392 . 1 1 34 34 LEU HA H 1 3.3980 0.02 . 1 . . . . 34 LEU HA . 19006 1 393 . 1 1 34 34 LEU HB3 H 1 0.8830 0.02 . 2 . . . . 34 LEU HB3 . 19006 1 394 . 1 1 34 34 LEU HG H 1 1.9790 0.02 . 1 . . . . 34 LEU HG . 19006 1 395 . 1 1 34 34 LEU HD11 H 1 0.3020 0.02 . 2 . . . . 34 LEU HD11 . 19006 1 396 . 1 1 34 34 LEU HD12 H 1 0.3020 0.02 . 2 . . . . 34 LEU HD11 . 19006 1 397 . 1 1 34 34 LEU HD13 H 1 0.3020 0.02 . 2 . . . . 34 LEU HD11 . 19006 1 398 . 1 1 34 34 LEU HD21 H 1 -0.0780 0.02 . 2 . . . . 34 LEU HD21 . 19006 1 399 . 1 1 34 34 LEU HD22 H 1 -0.0780 0.02 . 2 . . . . 34 LEU HD21 . 19006 1 400 . 1 1 34 34 LEU HD23 H 1 -0.0780 0.02 . 2 . . . . 34 LEU HD21 . 19006 1 401 . 1 1 34 34 LEU C C 13 179.4000 0.20 . 1 . . . . 34 LEU C . 19006 1 402 . 1 1 34 34 LEU CA C 13 58.0380 0.20 . 1 . . . . 34 LEU CA . 19006 1 403 . 1 1 34 34 LEU CB C 13 40.5820 0.20 . 1 . . . . 34 LEU CB . 19006 1 404 . 1 1 34 34 LEU CG C 13 25.5770 0.20 . 1 . . . . 34 LEU CG . 19006 1 405 . 1 1 34 34 LEU CD1 C 13 24.8130 0.20 . 2 . . . . 34 LEU CD1 . 19006 1 406 . 1 1 34 34 LEU CD2 C 13 22.1240 0.20 . 2 . . . . 34 LEU CD2 . 19006 1 407 . 1 1 34 34 LEU N N 15 114.9050 0.20 . 1 . . . . 34 LEU N . 19006 1 408 . 1 1 35 35 SER H H 1 8.1620 0.02 . 1 . . . . 35 SER H . 19006 1 409 . 1 1 35 35 SER HA H 1 3.8890 0.02 . 1 . . . . 35 SER HA . 19006 1 410 . 1 1 35 35 SER HB3 H 1 4.1500 0.02 . 2 . . . . 35 SER HB3 . 19006 1 411 . 1 1 35 35 SER C C 13 175.8010 0.20 . 1 . . . . 35 SER C . 19006 1 412 . 1 1 35 35 SER CA C 13 61.3800 0.20 . 1 . . . . 35 SER CA . 19006 1 413 . 1 1 35 35 SER CB C 13 62.4240 0.20 . 1 . . . . 35 SER CB . 19006 1 414 . 1 1 35 35 SER N N 15 113.8680 0.20 . 1 . . . . 35 SER N . 19006 1 415 . 1 1 36 36 ALA H H 1 9.2100 0.02 . 1 . . . . 36 ALA H . 19006 1 416 . 1 1 36 36 ALA HA H 1 4.0460 0.02 . 1 . . . . 36 ALA HA . 19006 1 417 . 1 1 36 36 ALA HB1 H 1 1.1280 0.02 . 1 . . . . 36 ALA HB1 . 19006 1 418 . 1 1 36 36 ALA HB2 H 1 1.1280 0.02 . 1 . . . . 36 ALA HB1 . 19006 1 419 . 1 1 36 36 ALA HB3 H 1 1.1280 0.02 . 1 . . . . 36 ALA HB1 . 19006 1 420 . 1 1 36 36 ALA C C 13 180.1450 0.20 . 1 . . . . 36 ALA C . 19006 1 421 . 1 1 36 36 ALA CA C 13 55.3140 0.20 . 1 . . . . 36 ALA CA . 19006 1 422 . 1 1 36 36 ALA CB C 13 17.5150 0.20 . 1 . . . . 36 ALA CB . 19006 1 423 . 1 1 36 36 ALA N N 15 122.6410 0.20 . 1 . . . . 36 ALA N . 19006 1 424 . 1 1 37 37 TYR H H 1 8.3460 0.02 . 1 . . . . 37 TYR H . 19006 1 425 . 1 1 37 37 TYR HA H 1 4.9800 0.02 . 1 . . . . 37 TYR HA . 19006 1 426 . 1 1 37 37 TYR HB2 H 1 2.8800 0.02 . 2 . . . . 37 TYR HB2 . 19006 1 427 . 1 1 37 37 TYR HB3 H 1 3.0450 0.02 . 2 . . . . 37 TYR HB3 . 19006 1 428 . 1 1 37 37 TYR C C 13 178.9210 0.20 . 1 . . . . 37 TYR C . 19006 1 429 . 1 1 37 37 TYR CA C 13 57.1170 0.20 . 1 . . . . 37 TYR CA . 19006 1 430 . 1 1 37 37 TYR CB C 13 37.7000 0.20 . 1 . . . . 37 TYR CB . 19006 1 431 . 1 1 37 37 TYR N N 15 117.7180 0.20 . 1 . . . . 37 TYR N . 19006 1 432 . 1 1 38 38 THR H H 1 8.2540 0.02 . 1 . . . . 38 THR H . 19006 1 433 . 1 1 38 38 THR HA H 1 4.0530 0.02 . 1 . . . . 38 THR HA . 19006 1 434 . 1 1 38 38 THR HB H 1 3.4970 0.02 . 1 . . . . 38 THR HB . 19006 1 435 . 1 1 38 38 THR HG21 H 1 0.9780 0.02 . 1 . . . . 38 THR HG21 . 19006 1 436 . 1 1 38 38 THR HG22 H 1 0.9780 0.02 . 1 . . . . 38 THR HG21 . 19006 1 437 . 1 1 38 38 THR HG23 H 1 0.9780 0.02 . 1 . . . . 38 THR HG21 . 19006 1 438 . 1 1 38 38 THR C C 13 175.3520 0.20 . 1 . . . . 38 THR C . 19006 1 439 . 1 1 38 38 THR CA C 13 67.2830 0.20 . 1 . . . . 38 THR CA . 19006 1 440 . 1 1 38 38 THR CB C 13 68.4810 0.20 . 1 . . . . 38 THR CB . 19006 1 441 . 1 1 38 38 THR CG2 C 13 22.0540 0.20 . 1 . . . . 38 THR CG2 . 19006 1 442 . 1 1 38 38 THR N N 15 113.3670 0.20 . 1 . . . . 38 THR N . 19006 1 443 . 1 1 39 39 GLN H H 1 7.6560 0.02 . 1 . . . . 39 GLN H . 19006 1 444 . 1 1 39 39 GLN HA H 1 3.7400 0.02 . 1 . . . . 39 GLN HA . 19006 1 445 . 1 1 39 39 GLN HB3 H 1 2.1060 0.02 . 2 . . . . 39 GLN HB3 . 19006 1 446 . 1 1 39 39 GLN HG3 H 1 2.2410 0.02 . 2 . . . . 39 GLN HG3 . 19006 1 447 . 1 1 39 39 GLN C C 13 178.4280 0.20 . 1 . . . . 39 GLN C . 19006 1 448 . 1 1 39 39 GLN CA C 13 58.9090 0.20 . 1 . . . . 39 GLN CA . 19006 1 449 . 1 1 39 39 GLN CB C 13 28.5650 0.20 . 1 . . . . 39 GLN CB . 19006 1 450 . 1 1 39 39 GLN CG C 13 33.9890 0.20 . 1 . . . . 39 GLN CG . 19006 1 451 . 1 1 39 39 GLN N N 15 119.5220 0.20 . 1 . . . . 39 GLN N . 19006 1 452 . 1 1 40 40 LYS H H 1 7.6940 0.02 . 1 . . . . 40 LYS H . 19006 1 453 . 1 1 40 40 LYS HA H 1 3.8550 0.02 . 1 . . . . 40 LYS HA . 19006 1 454 . 1 1 40 40 LYS HB2 H 1 2.1630 0.02 . 2 . . . . 40 LYS HB2 . 19006 1 455 . 1 1 40 40 LYS HB3 H 1 1.8680 0.02 . 2 . . . . 40 LYS HB3 . 19006 1 456 . 1 1 40 40 LYS HG2 H 1 1.1070 0.02 . 2 . . . . 40 LYS HG2 . 19006 1 457 . 1 1 40 40 LYS HG3 H 1 1.2460 0.02 . 2 . . . . 40 LYS HG3 . 19006 1 458 . 1 1 40 40 LYS HD3 H 1 1.0540 0.02 . 2 . . . . 40 LYS HD3 . 19006 1 459 . 1 1 40 40 LYS HE2 H 1 2.6900 0.02 . 2 . . . . 40 LYS HE2 . 19006 1 460 . 1 1 40 40 LYS HE3 H 1 2.5430 0.02 . 2 . . . . 40 LYS HE3 . 19006 1 461 . 1 1 40 40 LYS C C 13 178.0910 0.20 . 1 . . . . 40 LYS C . 19006 1 462 . 1 1 40 40 LYS CA C 13 59.1120 0.20 . 1 . . . . 40 LYS CA . 19006 1 463 . 1 1 40 40 LYS CB C 13 31.5910 0.20 . 1 . . . . 40 LYS CB . 19006 1 464 . 1 1 40 40 LYS CG C 13 25.4130 0.20 . 1 . . . . 40 LYS CG . 19006 1 465 . 1 1 40 40 LYS CD C 13 28.5980 0.20 . 1 . . . . 40 LYS CD . 19006 1 466 . 1 1 40 40 LYS CE C 13 42.3250 0.20 . 1 . . . . 40 LYS CE . 19006 1 467 . 1 1 40 40 LYS N N 15 119.6410 0.20 . 1 . . . . 40 LYS N . 19006 1 468 . 1 1 41 41 LEU H H 1 8.3920 0.02 . 1 . . . . 41 LEU H . 19006 1 469 . 1 1 41 41 LEU HA H 1 3.7390 0.02 . 1 . . . . 41 LEU HA . 19006 1 470 . 1 1 41 41 LEU HB2 H 1 2.0760 0.02 . 2 . . . . 41 LEU HB2 . 19006 1 471 . 1 1 41 41 LEU HB3 H 1 2.2390 0.02 . 2 . . . . 41 LEU HB3 . 19006 1 472 . 1 1 41 41 LEU HG H 1 1.8990 0.02 . 1 . . . . 41 LEU HG . 19006 1 473 . 1 1 41 41 LEU HD11 H 1 0.7250 0.02 . 2 . . . . 41 LEU HD11 . 19006 1 474 . 1 1 41 41 LEU HD12 H 1 0.7250 0.02 . 2 . . . . 41 LEU HD11 . 19006 1 475 . 1 1 41 41 LEU HD13 H 1 0.7250 0.02 . 2 . . . . 41 LEU HD11 . 19006 1 476 . 1 1 41 41 LEU HD21 H 1 0.5370 0.02 . 2 . . . . 41 LEU HD21 . 19006 1 477 . 1 1 41 41 LEU HD22 H 1 0.5370 0.02 . 2 . . . . 41 LEU HD21 . 19006 1 478 . 1 1 41 41 LEU HD23 H 1 0.5370 0.02 . 2 . . . . 41 LEU HD21 . 19006 1 479 . 1 1 41 41 LEU C C 13 178.4280 0.20 . 1 . . . . 41 LEU C . 19006 1 480 . 1 1 41 41 LEU CA C 13 56.9260 0.20 . 1 . . . . 41 LEU CA . 19006 1 481 . 1 1 41 41 LEU CB C 13 41.9130 0.20 . 1 . . . . 41 LEU CB . 19006 1 482 . 1 1 41 41 LEU CG C 13 27.0440 0.20 . 1 . . . . 41 LEU CG . 19006 1 483 . 1 1 41 41 LEU CD1 C 13 26.0090 0.20 . 2 . . . . 41 LEU CD1 . 19006 1 484 . 1 1 41 41 LEU CD2 C 13 22.9750 0.20 . 2 . . . . 41 LEU CD2 . 19006 1 485 . 1 1 41 41 LEU N N 15 114.7820 0.20 . 1 . . . . 41 LEU N . 19006 1 486 . 1 1 42 42 ALA H H 1 7.6840 0.02 . 1 . . . . 42 ALA H . 19006 1 487 . 1 1 42 42 ALA HA H 1 3.8830 0.02 . 1 . . . . 42 ALA HA . 19006 1 488 . 1 1 42 42 ALA HB1 H 1 1.1510 0.02 . 1 . . . . 42 ALA HB1 . 19006 1 489 . 1 1 42 42 ALA HB2 H 1 1.1510 0.02 . 1 . . . . 42 ALA HB1 . 19006 1 490 . 1 1 42 42 ALA HB3 H 1 1.1510 0.02 . 1 . . . . 42 ALA HB1 . 19006 1 491 . 1 1 42 42 ALA C C 13 176.3960 0.20 . 1 . . . . 42 ALA C . 19006 1 492 . 1 1 42 42 ALA CA C 13 52.6340 0.20 . 1 . . . . 42 ALA CA . 19006 1 493 . 1 1 42 42 ALA CB C 13 18.9700 0.20 . 1 . . . . 42 ALA CB . 19006 1 494 . 1 1 42 42 ALA N N 15 119.6160 0.20 . 1 . . . . 42 ALA N . 19006 1 495 . 1 1 43 43 ASP H H 1 7.3050 0.02 . 1 . . . . 43 ASP H . 19006 1 496 . 1 1 43 43 ASP HA H 1 4.2720 0.02 . 1 . . . . 43 ASP HA . 19006 1 497 . 1 1 43 43 ASP HB2 H 1 2.3950 0.02 . 2 . . . . 43 ASP HB2 . 19006 1 498 . 1 1 43 43 ASP HB3 H 1 3.0350 0.02 . 2 . . . . 43 ASP HB3 . 19006 1 499 . 1 1 43 43 ASP C C 13 177.4310 0.20 . 1 . . . . 43 ASP C . 19006 1 500 . 1 1 43 43 ASP CA C 13 53.8170 0.20 . 1 . . . . 43 ASP CA . 19006 1 501 . 1 1 43 43 ASP CB C 13 40.8910 0.20 . 1 . . . . 43 ASP CB . 19006 1 502 . 1 1 43 43 ASP N N 15 118.9990 0.20 . 1 . . . . 43 ASP N . 19006 1 503 . 1 1 44 44 GLN H H 1 9.1780 0.02 . 1 . . . . 44 GLN H . 19006 1 504 . 1 1 44 44 GLN HA H 1 3.8660 0.02 . 1 . . . . 44 GLN HA . 19006 1 505 . 1 1 44 44 GLN HB2 H 1 1.7870 0.02 . 2 . . . . 44 GLN HB2 . 19006 1 506 . 1 1 44 44 GLN HB3 H 1 1.9050 0.02 . 2 . . . . 44 GLN HB3 . 19006 1 507 . 1 1 44 44 GLN HG3 H 1 2.1950 0.02 . 2 . . . . 44 GLN HG3 . 19006 1 508 . 1 1 44 44 GLN C C 13 176.0580 0.20 . 1 . . . . 44 GLN C . 19006 1 509 . 1 1 44 44 GLN CA C 13 57.8850 0.20 . 1 . . . . 44 GLN CA . 19006 1 510 . 1 1 44 44 GLN CB C 13 28.5120 0.20 . 1 . . . . 44 GLN CB . 19006 1 511 . 1 1 44 44 GLN CG C 13 33.6990 0.20 . 1 . . . . 44 GLN CG . 19006 1 512 . 1 1 44 44 GLN N N 15 128.9410 0.20 . 1 . . . . 44 GLN N . 19006 1 513 . 1 1 45 45 ASN H H 1 8.7250 0.02 . 1 . . . . 45 ASN H . 19006 1 514 . 1 1 45 45 ASN HA H 1 4.4930 0.02 . 1 . . . . 45 ASN HA . 19006 1 515 . 1 1 45 45 ASN HB2 H 1 2.6460 0.02 . 2 . . . . 45 ASN HB2 . 19006 1 516 . 1 1 45 45 ASN HB3 H 1 2.4740 0.02 . 2 . . . . 45 ASN HB3 . 19006 1 517 . 1 1 45 45 ASN C C 13 174.1130 0.20 . 1 . . . . 45 ASN C . 19006 1 518 . 1 1 45 45 ASN CA C 13 52.7280 0.20 . 1 . . . . 45 ASN CA . 19006 1 519 . 1 1 45 45 ASN CB C 13 39.0370 0.20 . 1 . . . . 45 ASN CB . 19006 1 520 . 1 1 45 45 ASN N N 15 116.4840 0.20 . 1 . . . . 45 ASN N . 19006 1 521 . 1 1 46 46 LEU H H 1 7.1140 0.02 . 1 . . . . 46 LEU H . 19006 1 522 . 1 1 46 46 LEU HA H 1 4.3650 0.02 . 1 . . . . 46 LEU HA . 19006 1 523 . 1 1 46 46 LEU HB2 H 1 1.5010 0.02 . 2 . . . . 46 LEU HB2 . 19006 1 524 . 1 1 46 46 LEU HB3 H 1 1.6360 0.02 . 2 . . . . 46 LEU HB3 . 19006 1 525 . 1 1 46 46 LEU HD11 H 1 0.6350 0.02 . 2 . . . . 46 LEU HD11 . 19006 1 526 . 1 1 46 46 LEU HD12 H 1 0.6350 0.02 . 2 . . . . 46 LEU HD11 . 19006 1 527 . 1 1 46 46 LEU HD13 H 1 0.6350 0.02 . 2 . . . . 46 LEU HD11 . 19006 1 528 . 1 1 46 46 LEU HD21 H 1 0.5410 0.02 . 2 . . . . 46 LEU HD21 . 19006 1 529 . 1 1 46 46 LEU HD22 H 1 0.5410 0.02 . 2 . . . . 46 LEU HD21 . 19006 1 530 . 1 1 46 46 LEU HD23 H 1 0.5410 0.02 . 2 . . . . 46 LEU HD21 . 19006 1 531 . 1 1 46 46 LEU C C 13 174.1760 0.20 . 1 . . . . 46 LEU C . 19006 1 532 . 1 1 46 46 LEU CA C 13 53.8160 0.20 . 1 . . . . 46 LEU CA . 19006 1 533 . 1 1 46 46 LEU CB C 13 43.1560 0.20 . 1 . . . . 46 LEU CB . 19006 1 534 . 1 1 46 46 LEU N N 15 124.7950 0.20 . 1 . . . . 46 LEU N . 19006 1 535 . 1 1 47 47 PRO HA H 1 4.2010 0.02 . 1 . . . . 47 PRO HA . 19006 1 536 . 1 1 47 47 PRO HB2 H 1 1.8130 0.02 . 2 . . . . 47 PRO HB2 . 19006 1 537 . 1 1 47 47 PRO HB3 H 1 1.9940 0.02 . 2 . . . . 47 PRO HB3 . 19006 1 538 . 1 1 47 47 PRO HG2 H 1 1.7860 0.02 . 2 . . . . 47 PRO HG2 . 19006 1 539 . 1 1 47 47 PRO HG3 H 1 1.6910 0.02 . 2 . . . . 47 PRO HG3 . 19006 1 540 . 1 1 47 47 PRO HD2 H 1 3.7540 0.02 . 2 . . . . 47 PRO HD2 . 19006 1 541 . 1 1 47 47 PRO HD3 H 1 3.3480 0.02 . 2 . . . . 47 PRO HD3 . 19006 1 542 . 1 1 47 47 PRO C C 13 175.6290 0.20 . 1 . . . . 47 PRO C . 19006 1 543 . 1 1 47 47 PRO CA C 13 62.9870 0.20 . 1 . . . . 47 PRO CA . 19006 1 544 . 1 1 47 47 PRO CB C 13 32.4990 0.20 . 1 . . . . 47 PRO CB . 19006 1 545 . 1 1 47 47 PRO CG C 13 27.0870 0.20 . 1 . . . . 47 PRO CG . 19006 1 546 . 1 1 47 47 PRO CD C 13 51.5340 0.20 . 1 . . . . 47 PRO CD . 19006 1 547 . 1 1 48 48 ASP H H 1 8.3840 0.02 . 1 . . . . 48 ASP H . 19006 1 548 . 1 1 48 48 ASP HA H 1 4.3080 0.02 . 1 . . . . 48 ASP HA . 19006 1 549 . 1 1 48 48 ASP HB2 H 1 1.9880 0.02 . 2 . . . . 48 ASP HB2 . 19006 1 550 . 1 1 48 48 ASP HB3 H 1 2.2610 0.02 . 2 . . . . 48 ASP HB3 . 19006 1 551 . 1 1 48 48 ASP C C 13 176.3290 0.20 . 1 . . . . 48 ASP C . 19006 1 552 . 1 1 48 48 ASP CA C 13 54.2040 0.20 . 1 . . . . 48 ASP CA . 19006 1 553 . 1 1 48 48 ASP CB C 13 40.1470 0.20 . 1 . . . . 48 ASP CB . 19006 1 554 . 1 1 48 48 ASP N N 15 117.5490 0.20 . 1 . . . . 48 ASP N . 19006 1 555 . 1 1 49 49 LYS H H 1 8.5280 0.02 . 1 . . . . 49 LYS H . 19006 1 556 . 1 1 49 49 LYS HA H 1 3.5430 0.02 . 1 . . . . 49 LYS HA . 19006 1 557 . 1 1 49 49 LYS HB2 H 1 1.5140 0.02 . 2 . . . . 49 LYS HB2 . 19006 1 558 . 1 1 49 49 LYS HB3 H 1 1.4190 0.02 . 2 . . . . 49 LYS HB3 . 19006 1 559 . 1 1 49 49 LYS HG3 H 1 1.3790 0.02 . 2 . . . . 49 LYS HG3 . 19006 1 560 . 1 1 49 49 LYS HD2 H 1 1.4350 0.02 . 2 . . . . 49 LYS HD2 . 19006 1 561 . 1 1 49 49 LYS HD3 H 1 1.1410 0.02 . 2 . . . . 49 LYS HD3 . 19006 1 562 . 1 1 49 49 LYS HE2 H 1 2.4180 0.02 . 2 . . . . 49 LYS HE2 . 19006 1 563 . 1 1 49 49 LYS HE3 H 1 2.8680 0.02 . 2 . . . . 49 LYS HE3 . 19006 1 564 . 1 1 49 49 LYS C C 13 177.9270 0.20 . 1 . . . . 49 LYS C . 19006 1 565 . 1 1 49 49 LYS CA C 13 60.6470 0.20 . 1 . . . . 49 LYS CA . 19006 1 566 . 1 1 49 49 LYS CB C 13 32.9170 0.20 . 1 . . . . 49 LYS CB . 19006 1 567 . 1 1 49 49 LYS CG C 13 25.9740 0.20 . 1 . . . . 49 LYS CG . 19006 1 568 . 1 1 49 49 LYS CD C 13 29.6400 0.20 . 1 . . . . 49 LYS CD . 19006 1 569 . 1 1 49 49 LYS CE C 13 42.6830 0.20 . 1 . . . . 49 LYS CE . 19006 1 570 . 1 1 49 49 LYS N N 15 119.8440 0.20 . 1 . . . . 49 LYS N . 19006 1 571 . 1 1 50 50 ILE H H 1 8.4090 0.02 . 1 . . . . 50 ILE H . 19006 1 572 . 1 1 50 50 ILE HA H 1 3.5190 0.02 . 1 . . . . 50 ILE HA . 19006 1 573 . 1 1 50 50 ILE HB H 1 1.7570 0.02 . 1 . . . . 50 ILE HB . 19006 1 574 . 1 1 50 50 ILE HG12 H 1 1.0230 0.02 . 2 . . . . 50 ILE HG12 . 19006 1 575 . 1 1 50 50 ILE HG13 H 1 1.2230 0.02 . 2 . . . . 50 ILE HG13 . 19006 1 576 . 1 1 50 50 ILE HG21 H 1 0.5200 0.02 . 1 . . . . 50 ILE HG21 . 19006 1 577 . 1 1 50 50 ILE HG22 H 1 0.5200 0.02 . 1 . . . . 50 ILE HG21 . 19006 1 578 . 1 1 50 50 ILE HG23 H 1 0.5200 0.02 . 1 . . . . 50 ILE HG21 . 19006 1 579 . 1 1 50 50 ILE HD11 H 1 0.4100 0.02 . 1 . . . . 50 ILE HD11 . 19006 1 580 . 1 1 50 50 ILE HD12 H 1 0.4100 0.02 . 1 . . . . 50 ILE HD11 . 19006 1 581 . 1 1 50 50 ILE HD13 H 1 0.4100 0.02 . 1 . . . . 50 ILE HD11 . 19006 1 582 . 1 1 50 50 ILE C C 13 176.7770 0.20 . 1 . . . . 50 ILE C . 19006 1 583 . 1 1 50 50 ILE CA C 13 63.0250 0.20 . 1 . . . . 50 ILE CA . 19006 1 584 . 1 1 50 50 ILE CB C 13 36.3270 0.20 . 1 . . . . 50 ILE CB . 19006 1 585 . 1 1 50 50 ILE CG1 C 13 28.6730 0.20 . 1 . . . . 50 ILE CG1 . 19006 1 586 . 1 1 50 50 ILE CG2 C 13 18.0210 0.20 . 1 . . . . 50 ILE CG2 . 19006 1 587 . 1 1 50 50 ILE CD1 C 13 11.9890 0.20 . 1 . . . . 50 ILE CD1 . 19006 1 588 . 1 1 50 50 ILE N N 15 117.2070 0.20 . 1 . . . . 50 ILE N . 19006 1 589 . 1 1 51 51 GLU H H 1 7.6580 0.02 . 1 . . . . 51 GLU H . 19006 1 590 . 1 1 51 51 GLU HA H 1 3.9390 0.02 . 1 . . . . 51 GLU HA . 19006 1 591 . 1 1 51 51 GLU HB3 H 1 1.7890 0.02 . 2 . . . . 51 GLU HB3 . 19006 1 592 . 1 1 51 51 GLU HG3 H 1 2.0350 0.02 . 2 . . . . 51 GLU HG3 . 19006 1 593 . 1 1 51 51 GLU C C 13 178.2300 0.20 . 1 . . . . 51 GLU C . 19006 1 594 . 1 1 51 51 GLU CA C 13 59.1120 0.20 . 1 . . . . 51 GLU CA . 19006 1 595 . 1 1 51 51 GLU CB C 13 28.6920 0.20 . 1 . . . . 51 GLU CB . 19006 1 596 . 1 1 51 51 GLU CG C 13 35.9740 0.20 . 1 . . . . 51 GLU CG . 19006 1 597 . 1 1 51 51 GLU N N 15 120.6000 0.20 . 1 . . . . 51 GLU N . 19006 1 598 . 1 1 52 52 TYR H H 1 7.9810 0.02 . 1 . . . . 52 TYR H . 19006 1 599 . 1 1 52 52 TYR HA H 1 4.0010 0.02 . 1 . . . . 52 TYR HA . 19006 1 600 . 1 1 52 52 TYR HB2 H 1 2.9600 0.02 . 2 . . . . 52 TYR HB2 . 19006 1 601 . 1 1 52 52 TYR HB3 H 1 2.6710 0.02 . 2 . . . . 52 TYR HB3 . 19006 1 602 . 1 1 52 52 TYR C C 13 176.6990 0.20 . 1 . . . . 52 TYR C . 19006 1 603 . 1 1 52 52 TYR CA C 13 62.3730 0.20 . 1 . . . . 52 TYR CA . 19006 1 604 . 1 1 52 52 TYR CB C 13 38.2930 0.20 . 1 . . . . 52 TYR CB . 19006 1 605 . 1 1 52 52 TYR N N 15 120.6260 0.20 . 1 . . . . 52 TYR N . 19006 1 606 . 1 1 53 53 LEU H H 1 8.5280 0.02 . 1 . . . . 53 LEU H . 19006 1 607 . 1 1 53 53 LEU HA H 1 3.5550 0.02 . 1 . . . . 53 LEU HA . 19006 1 608 . 1 1 53 53 LEU HB2 H 1 1.5580 0.02 . 2 . . . . 53 LEU HB2 . 19006 1 609 . 1 1 53 53 LEU HB3 H 1 1.3190 0.02 . 2 . . . . 53 LEU HB3 . 19006 1 610 . 1 1 53 53 LEU HG H 1 1.4410 0.02 . 1 . . . . 53 LEU HG . 19006 1 611 . 1 1 53 53 LEU HD11 H 1 0.5340 0.02 . 2 . . . . 53 LEU HD11 . 19006 1 612 . 1 1 53 53 LEU HD12 H 1 0.5340 0.02 . 2 . . . . 53 LEU HD11 . 19006 1 613 . 1 1 53 53 LEU HD13 H 1 0.5340 0.02 . 2 . . . . 53 LEU HD11 . 19006 1 614 . 1 1 53 53 LEU HD21 H 1 0.1490 0.02 . 2 . . . . 53 LEU HD21 . 19006 1 615 . 1 1 53 53 LEU HD22 H 1 0.1490 0.02 . 2 . . . . 53 LEU HD21 . 19006 1 616 . 1 1 53 53 LEU HD23 H 1 0.1490 0.02 . 2 . . . . 53 LEU HD21 . 19006 1 617 . 1 1 53 53 LEU C C 13 179.7980 0.20 . 1 . . . . 53 LEU C . 19006 1 618 . 1 1 53 53 LEU CA C 13 57.6990 0.20 . 1 . . . . 53 LEU CA . 19006 1 619 . 1 1 53 53 LEU CB C 13 42.4750 0.20 . 1 . . . . 53 LEU CB . 19006 1 620 . 1 1 53 53 LEU CG C 13 26.6230 0.20 . 1 . . . . 53 LEU CG . 19006 1 621 . 1 1 53 53 LEU CD1 C 13 25.1870 0.20 . 2 . . . . 53 LEU CD1 . 19006 1 622 . 1 1 53 53 LEU N N 15 118.2320 0.20 . 1 . . . . 53 LEU N . 19006 1 623 . 1 1 54 54 LYS H H 1 8.3150 0.02 . 1 . . . . 54 LYS H . 19006 1 624 . 1 1 54 54 LYS HA H 1 3.8600 0.02 . 1 . . . . 54 LYS HA . 19006 1 625 . 1 1 54 54 LYS HB2 H 1 1.4310 0.02 . 2 . . . . 54 LYS HB2 . 19006 1 626 . 1 1 54 54 LYS HB3 H 1 1.5850 0.02 . 2 . . . . 54 LYS HB3 . 19006 1 627 . 1 1 54 54 LYS HG2 H 1 1.0390 0.02 . 2 . . . . 54 LYS HG2 . 19006 1 628 . 1 1 54 54 LYS HD2 H 1 1.2130 0.02 . 2 . . . . 54 LYS HD2 . 19006 1 629 . 1 1 54 54 LYS HE3 H 1 2.5580 0.02 . 2 . . . . 54 LYS HE3 . 19006 1 630 . 1 1 54 54 LYS C C 13 178.4800 0.20 . 1 . . . . 54 LYS C . 19006 1 631 . 1 1 54 54 LYS CA C 13 60.8380 0.20 . 1 . . . . 54 LYS CA . 19006 1 632 . 1 1 54 54 LYS CB C 13 31.9350 0.20 . 1 . . . . 54 LYS CB . 19006 1 633 . 1 1 54 54 LYS CG C 13 25.6960 0.20 . 1 . . . . 54 LYS CG . 19006 1 634 . 1 1 54 54 LYS CD C 13 29.9970 0.20 . 1 . . . . 54 LYS CD . 19006 1 635 . 1 1 54 54 LYS CE C 13 41.5510 0.20 . 1 . . . . 54 LYS CE . 19006 1 636 . 1 1 54 54 LYS N N 15 120.7530 0.20 . 1 . . . . 54 LYS N . 19006 1 637 . 1 1 55 55 ASP H H 1 8.2530 0.02 . 1 . . . . 55 ASP H . 19006 1 638 . 1 1 55 55 ASP HA H 1 4.1390 0.02 . 1 . . . . 55 ASP HA . 19006 1 639 . 1 1 55 55 ASP HB2 H 1 2.5430 0.02 . 2 . . . . 55 ASP HB2 . 19006 1 640 . 1 1 55 55 ASP HB3 H 1 2.3520 0.02 . 2 . . . . 55 ASP HB3 . 19006 1 641 . 1 1 55 55 ASP C C 13 179.5900 0.20 . 1 . . . . 55 ASP C . 19006 1 642 . 1 1 55 55 ASP CA C 13 58.0380 0.20 . 1 . . . . 55 ASP CA . 19006 1 643 . 1 1 55 55 ASP CB C 13 40.6500 0.20 . 1 . . . . 55 ASP CB . 19006 1 644 . 1 1 55 55 ASP N N 15 123.4870 0.20 . 1 . . . . 55 ASP N . 19006 1 645 . 1 1 56 56 ILE H H 1 8.5930 0.02 . 1 . . . . 56 ILE H . 19006 1 646 . 1 1 56 56 ILE HA H 1 3.3880 0.02 . 1 . . . . 56 ILE HA . 19006 1 647 . 1 1 56 56 ILE HB H 1 1.7370 0.02 . 1 . . . . 56 ILE HB . 19006 1 648 . 1 1 56 56 ILE HG12 H 1 0.9750 0.02 . 2 . . . . 56 ILE HG12 . 19006 1 649 . 1 1 56 56 ILE HG13 H 1 1.1730 0.02 . 2 . . . . 56 ILE HG13 . 19006 1 650 . 1 1 56 56 ILE HG21 H 1 0.1320 0.02 . 1 . . . . 56 ILE HG21 . 19006 1 651 . 1 1 56 56 ILE HG22 H 1 0.1320 0.02 . 1 . . . . 56 ILE HG21 . 19006 1 652 . 1 1 56 56 ILE HG23 H 1 0.1320 0.02 . 1 . . . . 56 ILE HG21 . 19006 1 653 . 1 1 56 56 ILE HD11 H 1 -0.2300 0.02 . 1 . . . . 56 ILE HD11 . 19006 1 654 . 1 1 56 56 ILE HD12 H 1 -0.2300 0.02 . 1 . . . . 56 ILE HD11 . 19006 1 655 . 1 1 56 56 ILE HD13 H 1 -0.2300 0.02 . 1 . . . . 56 ILE HD11 . 19006 1 656 . 1 1 56 56 ILE C C 13 177.9900 0.20 . 1 . . . . 56 ILE C . 19006 1 657 . 1 1 56 56 ILE CA C 13 64.9280 0.20 . 1 . . . . 56 ILE CA . 19006 1 658 . 1 1 56 56 ILE CB C 13 36.7130 0.20 . 1 . . . . 56 ILE CB . 19006 1 659 . 1 1 56 56 ILE CG1 C 13 25.7890 0.20 . 1 . . . . 56 ILE CG1 . 19006 1 660 . 1 1 56 56 ILE CG2 C 13 18.1590 0.20 . 1 . . . . 56 ILE CG2 . 19006 1 661 . 1 1 56 56 ILE CD1 C 13 14.6450 0.20 . 1 . . . . 56 ILE CD1 . 19006 1 662 . 1 1 56 56 ILE N N 15 115.6200 0.20 . 1 . . . . 56 ILE N . 19006 1 663 . 1 1 57 57 SER H H 1 7.8990 0.02 . 1 . . . . 57 SER H . 19006 1 664 . 1 1 57 57 SER HA H 1 3.7680 0.02 . 1 . . . . 57 SER HA . 19006 1 665 . 1 1 57 57 SER HB3 H 1 3.8860 0.02 . 2 . . . . 57 SER HB3 . 19006 1 666 . 1 1 57 57 SER C C 13 174.6750 0.20 . 1 . . . . 57 SER C . 19006 1 667 . 1 1 57 57 SER CA C 13 63.9070 0.20 . 1 . . . . 57 SER CA . 19006 1 668 . 1 1 57 57 SER CB C 13 61.6400 0.20 . 1 . . . . 57 SER CB . 19006 1 669 . 1 1 57 57 SER N N 15 119.8750 0.20 . 1 . . . . 57 SER N . 19006 1 670 . 1 1 58 58 HIS H H 1 7.8250 0.02 . 1 . . . . 58 HIS H . 19006 1 671 . 1 1 58 58 HIS HA H 1 3.7470 0.02 . 1 . . . . 58 HIS HA . 19006 1 672 . 1 1 58 58 HIS HB2 H 1 3.0680 0.02 . 2 . . . . 58 HIS HB2 . 19006 1 673 . 1 1 58 58 HIS HB3 H 1 3.2130 0.02 . 2 . . . . 58 HIS HB3 . 19006 1 674 . 1 1 58 58 HIS C C 13 176.1020 0.20 . 1 . . . . 58 HIS C . 19006 1 675 . 1 1 58 58 HIS CA C 13 60.0060 0.20 . 1 . . . . 58 HIS CA . 19006 1 676 . 1 1 58 58 HIS CB C 13 28.4630 0.20 . 1 . . . . 58 HIS CB . 19006 1 677 . 1 1 58 58 HIS N N 15 120.3940 0.20 . 1 . . . . 58 HIS N . 19006 1 678 . 1 1 59 59 ALA H H 1 7.3160 0.02 . 1 . . . . 59 ALA H . 19006 1 679 . 1 1 59 59 ALA HA H 1 3.8990 0.02 . 1 . . . . 59 ALA HA . 19006 1 680 . 1 1 59 59 ALA HB1 H 1 1.3750 0.02 . 1 . . . . 59 ALA HB1 . 19006 1 681 . 1 1 59 59 ALA HB2 H 1 1.3750 0.02 . 1 . . . . 59 ALA HB1 . 19006 1 682 . 1 1 59 59 ALA HB3 H 1 1.3750 0.02 . 1 . . . . 59 ALA HB1 . 19006 1 683 . 1 1 59 59 ALA C C 13 180.6600 0.20 . 1 . . . . 59 ALA C . 19006 1 684 . 1 1 59 59 ALA CA C 13 55.2300 0.20 . 1 . . . . 59 ALA CA . 19006 1 685 . 1 1 59 59 ALA CB C 13 18.6130 0.20 . 1 . . . . 59 ALA CB . 19006 1 686 . 1 1 59 59 ALA N N 15 120.7320 0.20 . 1 . . . . 59 ALA N . 19006 1 687 . 1 1 60 60 LEU H H 1 9.0230 0.02 . 1 . . . . 60 LEU H . 19006 1 688 . 1 1 60 60 LEU HA H 1 4.4010 0.02 . 1 . . . . 60 LEU HA . 19006 1 689 . 1 1 60 60 LEU HB2 H 1 1.9160 0.02 . 2 . . . . 60 LEU HB2 . 19006 1 690 . 1 1 60 60 LEU HB3 H 1 1.6560 0.02 . 2 . . . . 60 LEU HB3 . 19006 1 691 . 1 1 60 60 LEU HG H 1 0.8880 0.02 . 1 . . . . 60 LEU HG . 19006 1 692 . 1 1 60 60 LEU HD11 H 1 0.4600 0.02 . 2 . . . . 60 LEU HD11 . 19006 1 693 . 1 1 60 60 LEU HD12 H 1 0.4600 0.02 . 2 . . . . 60 LEU HD11 . 19006 1 694 . 1 1 60 60 LEU HD13 H 1 0.4600 0.02 . 2 . . . . 60 LEU HD11 . 19006 1 695 . 1 1 60 60 LEU HD21 H 1 0.2480 0.02 . 2 . . . . 60 LEU HD21 . 19006 1 696 . 1 1 60 60 LEU HD22 H 1 0.2480 0.02 . 2 . . . . 60 LEU HD21 . 19006 1 697 . 1 1 60 60 LEU HD23 H 1 0.2480 0.02 . 2 . . . . 60 LEU HD21 . 19006 1 698 . 1 1 60 60 LEU C C 13 178.1200 0.20 . 1 . . . . 60 LEU C . 19006 1 699 . 1 1 60 60 LEU CA C 13 56.9420 0.20 . 1 . . . . 60 LEU CA . 19006 1 700 . 1 1 60 60 LEU CB C 13 44.5660 0.20 . 1 . . . . 60 LEU CB . 19006 1 701 . 1 1 60 60 LEU CG C 13 27.3610 0.20 . 1 . . . . 60 LEU CG . 19006 1 702 . 1 1 60 60 LEU CD1 C 13 25.7680 0.20 . 2 . . . . 60 LEU CD1 . 19006 1 703 . 1 1 60 60 LEU CD2 C 13 24.4470 0.20 . 2 . . . . 60 LEU CD2 . 19006 1 704 . 1 1 60 60 LEU N N 15 119.7860 0.20 . 1 . . . . 60 LEU N . 19006 1 705 . 1 1 61 61 LYS H H 1 7.9170 0.02 . 1 . . . . 61 LYS H . 19006 1 706 . 1 1 61 61 LYS HA H 1 3.8990 0.02 . 1 . . . . 61 LYS HA . 19006 1 707 . 1 1 61 61 LYS HB2 H 1 1.4260 0.02 . 2 . . . . 61 LYS HB2 . 19006 1 708 . 1 1 61 61 LYS HB3 H 1 1.5580 0.02 . 2 . . . . 61 LYS HB3 . 19006 1 709 . 1 1 61 61 LYS HG2 H 1 1.2510 0.02 . 2 . . . . 61 LYS HG2 . 19006 1 710 . 1 1 61 61 LYS HG3 H 1 1.1620 0.02 . 2 . . . . 61 LYS HG3 . 19006 1 711 . 1 1 61 61 LYS HD2 H 1 1.4380 0.02 . 2 . . . . 61 LYS HD2 . 19006 1 712 . 1 1 61 61 LYS HD3 H 1 1.3680 0.02 . 2 . . . . 61 LYS HD3 . 19006 1 713 . 1 1 61 61 LYS HE2 H 1 2.8870 0.02 . 2 . . . . 61 LYS HE2 . 19006 1 714 . 1 1 61 61 LYS HE3 H 1 2.6090 0.02 . 2 . . . . 61 LYS HE3 . 19006 1 715 . 1 1 61 61 LYS C C 13 176.1260 0.20 . 1 . . . . 61 LYS C . 19006 1 716 . 1 1 61 61 LYS CA C 13 59.5780 0.20 . 1 . . . . 61 LYS CA . 19006 1 717 . 1 1 61 61 LYS CB C 13 31.7420 0.20 . 1 . . . . 61 LYS CB . 19006 1 718 . 1 1 61 61 LYS CG C 13 23.9250 0.20 . 1 . . . . 61 LYS CG . 19006 1 719 . 1 1 61 61 LYS CD C 13 30.2180 0.20 . 1 . . . . 61 LYS CD . 19006 1 720 . 1 1 61 61 LYS CE C 13 41.7640 0.20 . 1 . . . . 61 LYS CE . 19006 1 721 . 1 1 61 61 LYS N N 15 116.8650 0.20 . 1 . . . . 61 LYS N . 19006 1 722 . 1 1 62 62 SER H H 1 7.1570 0.02 . 1 . . . . 62 SER H . 19006 1 723 . 1 1 62 62 SER HA H 1 4.3710 0.02 . 1 . . . . 62 SER HA . 19006 1 724 . 1 1 62 62 SER HB2 H 1 3.6060 0.02 . 2 . . . . 62 SER HB2 . 19006 1 725 . 1 1 62 62 SER HB3 H 1 3.8160 0.02 . 2 . . . . 62 SER HB3 . 19006 1 726 . 1 1 62 62 SER C C 13 175.9080 0.20 . 1 . . . . 62 SER C . 19006 1 727 . 1 1 62 62 SER CA C 13 59.9810 0.20 . 1 . . . . 62 SER CA . 19006 1 728 . 1 1 62 62 SER CB C 13 62.6890 0.20 . 1 . . . . 62 SER CB . 19006 1 729 . 1 1 62 62 SER N N 15 110.3810 0.20 . 1 . . . . 62 SER N . 19006 1 730 . 1 1 63 63 SER H H 1 8.5070 0.02 . 1 . . . . 63 SER H . 19006 1 731 . 1 1 63 63 SER HA H 1 3.6290 0.02 . 1 . . . . 63 SER HA . 19006 1 732 . 1 1 63 63 SER HB3 H 1 3.5520 0.02 . 2 . . . . 63 SER HB3 . 19006 1 733 . 1 1 63 63 SER C C 13 175.9530 0.20 . 1 . . . . 63 SER C . 19006 1 734 . 1 1 63 63 SER CA C 13 61.5670 0.20 . 1 . . . . 63 SER CA . 19006 1 735 . 1 1 63 63 SER CB C 13 62.8730 0.20 . 1 . . . . 63 SER CB . 19006 1 736 . 1 1 63 63 SER N N 15 119.6860 0.20 . 1 . . . . 63 SER N . 19006 1 737 . 1 1 64 64 ALA H H 1 7.7060 0.02 . 1 . . . . 64 ALA H . 19006 1 738 . 1 1 64 64 ALA HA H 1 3.8110 0.02 . 1 . . . . 64 ALA HA . 19006 1 739 . 1 1 64 64 ALA HB1 H 1 1.2090 0.02 . 1 . . . . 64 ALA HB1 . 19006 1 740 . 1 1 64 64 ALA HB2 H 1 1.2090 0.02 . 1 . . . . 64 ALA HB1 . 19006 1 741 . 1 1 64 64 ALA HB3 H 1 1.2090 0.02 . 1 . . . . 64 ALA HB1 . 19006 1 742 . 1 1 64 64 ALA C C 13 180.2360 0.20 . 1 . . . . 64 ALA C . 19006 1 743 . 1 1 64 64 ALA CA C 13 55.3530 0.20 . 1 . . . . 64 ALA CA . 19006 1 744 . 1 1 64 64 ALA CB C 13 18.1700 0.20 . 1 . . . . 64 ALA CB . 19006 1 745 . 1 1 64 64 ALA N N 15 125.5370 0.20 . 1 . . . . 64 ALA N . 19006 1 746 . 1 1 65 65 ALA H H 1 8.3690 0.02 . 1 . . . . 65 ALA H . 19006 1 747 . 1 1 65 65 ALA HA H 1 4.0260 0.02 . 1 . . . . 65 ALA HA . 19006 1 748 . 1 1 65 65 ALA HB1 H 1 1.3460 0.02 . 1 . . . . 65 ALA HB1 . 19006 1 749 . 1 1 65 65 ALA HB2 H 1 1.3460 0.02 . 1 . . . . 65 ALA HB1 . 19006 1 750 . 1 1 65 65 ALA HB3 H 1 1.3460 0.02 . 1 . . . . 65 ALA HB1 . 19006 1 751 . 1 1 65 65 ALA C C 13 180.4470 0.20 . 1 . . . . 65 ALA C . 19006 1 752 . 1 1 65 65 ALA CA C 13 54.8060 0.20 . 1 . . . . 65 ALA CA . 19006 1 753 . 1 1 65 65 ALA CB C 13 18.5480 0.20 . 1 . . . . 65 ALA CB . 19006 1 754 . 1 1 65 65 ALA N N 15 120.6040 0.20 . 1 . . . . 65 ALA N . 19006 1 755 . 1 1 66 66 SER H H 1 7.6860 0.02 . 1 . . . . 66 SER H . 19006 1 756 . 1 1 66 66 SER HA H 1 3.8380 0.02 . 1 . . . . 66 SER HA . 19006 1 757 . 1 1 66 66 SER HB3 H 1 3.7010 0.02 . 2 . . . . 66 SER HB3 . 19006 1 758 . 1 1 66 66 SER C C 13 173.7810 0.20 . 1 . . . . 66 SER C . 19006 1 759 . 1 1 66 66 SER CA C 13 61.7780 0.20 . 1 . . . . 66 SER CA . 19006 1 760 . 1 1 66 66 SER CB C 13 62.6690 0.20 . 1 . . . . 66 SER CB . 19006 1 761 . 1 1 66 66 SER N N 15 114.5970 0.20 . 1 . . . . 66 SER N . 19006 1 762 . 1 1 67 67 PHE H H 1 6.9270 0.02 . 1 . . . . 67 PHE H . 19006 1 763 . 1 1 67 67 PHE HA H 1 4.1480 0.02 . 1 . . . . 67 PHE HA . 19006 1 764 . 1 1 67 67 PHE HB2 H 1 2.5340 0.02 . 2 . . . . 67 PHE HB2 . 19006 1 765 . 1 1 67 67 PHE HB3 H 1 2.3390 0.02 . 2 . . . . 67 PHE HB3 . 19006 1 766 . 1 1 67 67 PHE C C 13 175.7540 0.20 . 1 . . . . 67 PHE C . 19006 1 767 . 1 1 67 67 PHE CA C 13 58.1550 0.20 . 1 . . . . 67 PHE CA . 19006 1 768 . 1 1 67 67 PHE CB C 13 39.2220 0.20 . 1 . . . . 67 PHE CB . 19006 1 769 . 1 1 67 67 PHE N N 15 112.4460 0.20 . 1 . . . . 67 PHE N . 19006 1 770 . 1 1 68 68 GLY H H 1 7.5770 0.02 . 1 . . . . 68 GLY H . 19006 1 771 . 1 1 68 68 GLY HA2 H 1 3.9230 0.02 . 2 . . . . 68 GLY HA2 . 19006 1 772 . 1 1 68 68 GLY HA3 H 1 3.6620 0.02 . 2 . . . . 68 GLY HA3 . 19006 1 773 . 1 1 68 68 GLY C C 13 172.7480 0.20 . 1 . . . . 68 GLY C . 19006 1 774 . 1 1 68 68 GLY CA C 13 47.2590 0.20 . 1 . . . . 68 GLY CA . 19006 1 775 . 1 1 68 68 GLY N N 15 107.7110 0.20 . 1 . . . . 68 GLY N . 19006 1 776 . 1 1 69 69 ALA H H 1 8.3710 0.02 . 1 . . . . 69 ALA H . 19006 1 777 . 1 1 69 69 ALA HA H 1 5.2650 0.02 . 1 . . . . 69 ALA HA . 19006 1 778 . 1 1 69 69 ALA HB1 H 1 1.3800 0.02 . 1 . . . . 69 ALA HB1 . 19006 1 779 . 1 1 69 69 ALA HB2 H 1 1.3800 0.02 . 1 . . . . 69 ALA HB1 . 19006 1 780 . 1 1 69 69 ALA HB3 H 1 1.3800 0.02 . 1 . . . . 69 ALA HB1 . 19006 1 781 . 1 1 69 69 ALA C C 13 177.1750 0.20 . 1 . . . . 69 ALA C . 19006 1 782 . 1 1 69 69 ALA CA C 13 50.0990 0.20 . 1 . . . . 69 ALA CA . 19006 1 783 . 1 1 69 69 ALA CB C 13 16.1770 0.20 . 1 . . . . 69 ALA CB . 19006 1 784 . 1 1 69 69 ALA N N 15 126.8160 0.20 . 1 . . . . 69 ALA N . 19006 1 785 . 1 1 70 70 ASP H H 1 7.4480 0.02 . 1 . . . . 70 ASP H . 19006 1 786 . 1 1 70 70 ASP HA H 1 4.2010 0.02 . 1 . . . . 70 ASP HA . 19006 1 787 . 1 1 70 70 ASP HB2 H 1 3.2880 0.02 . 2 . . . . 70 ASP HB2 . 19006 1 788 . 1 1 70 70 ASP HB3 H 1 2.8490 0.02 . 2 . . . . 70 ASP HB3 . 19006 1 789 . 1 1 70 70 ASP C C 13 178.3330 0.20 . 1 . . . . 70 ASP C . 19006 1 790 . 1 1 70 70 ASP CA C 13 58.6610 0.20 . 1 . . . . 70 ASP CA . 19006 1 791 . 1 1 70 70 ASP CB C 13 39.9930 0.20 . 1 . . . . 70 ASP CB . 19006 1 792 . 1 1 70 70 ASP N N 15 122.5550 0.20 . 1 . . . . 70 ASP N . 19006 1 793 . 1 1 71 71 LYS H H 1 8.0710 0.02 . 1 . . . . 71 LYS H . 19006 1 794 . 1 1 71 71 LYS HA H 1 3.6900 0.02 . 1 . . . . 71 LYS HA . 19006 1 795 . 1 1 71 71 LYS HB2 H 1 1.5700 0.02 . 2 . . . . 71 LYS HB2 . 19006 1 796 . 1 1 71 71 LYS HB3 H 1 1.3620 0.02 . 2 . . . . 71 LYS HB3 . 19006 1 797 . 1 1 71 71 LYS HG3 H 1 0.9030 0.02 . 2 . . . . 71 LYS HG3 . 19006 1 798 . 1 1 71 71 LYS HD3 H 1 1.1380 0.02 . 2 . . . . 71 LYS HD3 . 19006 1 799 . 1 1 71 71 LYS HE3 H 1 2.7060 0.02 . 2 . . . . 71 LYS HE3 . 19006 1 800 . 1 1 71 71 LYS C C 13 178.4310 0.20 . 1 . . . . 71 LYS C . 19006 1 801 . 1 1 71 71 LYS CA C 13 60.7230 0.20 . 1 . . . . 71 LYS CA . 19006 1 802 . 1 1 71 71 LYS CB C 13 32.8510 0.20 . 1 . . . . 71 LYS CB . 19006 1 803 . 1 1 71 71 LYS CG C 13 26.2580 0.20 . 1 . . . . 71 LYS CG . 19006 1 804 . 1 1 71 71 LYS CD C 13 29.8370 0.20 . 1 . . . . 71 LYS CD . 19006 1 805 . 1 1 71 71 LYS CE C 13 41.9840 0.20 . 1 . . . . 71 LYS CE . 19006 1 806 . 1 1 71 71 LYS N N 15 122.5750 0.20 . 1 . . . . 71 LYS N . 19006 1 807 . 1 1 72 72 LEU H H 1 8.7240 0.02 . 1 . . . . 72 LEU H . 19006 1 808 . 1 1 72 72 LEU HA H 1 3.9450 0.02 . 1 . . . . 72 LEU HA . 19006 1 809 . 1 1 72 72 LEU HB2 H 1 0.9880 0.02 . 2 . . . . 72 LEU HB2 . 19006 1 810 . 1 1 72 72 LEU HB3 H 1 1.2860 0.02 . 2 . . . . 72 LEU HB3 . 19006 1 811 . 1 1 72 72 LEU HG H 1 1.8410 0.02 . 1 . . . . 72 LEU HG . 19006 1 812 . 1 1 72 72 LEU HD11 H 1 0.8380 0.02 . 2 . . . . 72 LEU HD11 . 19006 1 813 . 1 1 72 72 LEU HD12 H 1 0.8380 0.02 . 2 . . . . 72 LEU HD11 . 19006 1 814 . 1 1 72 72 LEU HD13 H 1 0.8380 0.02 . 2 . . . . 72 LEU HD11 . 19006 1 815 . 1 1 72 72 LEU HD21 H 1 0.7160 0.02 . 2 . . . . 72 LEU HD21 . 19006 1 816 . 1 1 72 72 LEU HD22 H 1 0.7160 0.02 . 2 . . . . 72 LEU HD21 . 19006 1 817 . 1 1 72 72 LEU HD23 H 1 0.7160 0.02 . 2 . . . . 72 LEU HD21 . 19006 1 818 . 1 1 72 72 LEU C C 13 176.6320 0.20 . 1 . . . . 72 LEU C . 19006 1 819 . 1 1 72 72 LEU CA C 13 57.5890 0.20 . 1 . . . . 72 LEU CA . 19006 1 820 . 1 1 72 72 LEU CB C 13 41.6280 0.20 . 1 . . . . 72 LEU CB . 19006 1 821 . 1 1 72 72 LEU CG C 13 27.8200 0.20 . 1 . . . . 72 LEU CG . 19006 1 822 . 1 1 72 72 LEU CD1 C 13 24.2240 0.20 . 2 . . . . 72 LEU CD1 . 19006 1 823 . 1 1 72 72 LEU N N 15 121.5010 0.20 . 1 . . . . 72 LEU N . 19006 1 824 . 1 1 73 73 CYS H H 1 9.0540 0.02 . 1 . . . . 73 CYS H . 19006 1 825 . 1 1 73 73 CYS HA H 1 3.4330 0.02 . 1 . . . . 73 CYS HA . 19006 1 826 . 1 1 73 73 CYS HB2 H 1 3.4330 0.02 . 2 . . . . 73 CYS HB2 . 19006 1 827 . 1 1 73 73 CYS HB3 H 1 2.8170 0.02 . 2 . . . . 73 CYS HB3 . 19006 1 828 . 1 1 73 73 CYS C C 13 175.0040 0.20 . 1 . . . . 73 CYS C . 19006 1 829 . 1 1 73 73 CYS CA C 13 63.3700 0.20 . 1 . . . . 73 CYS CA . 19006 1 830 . 1 1 73 73 CYS CB C 13 26.8320 0.20 . 1 . . . . 73 CYS CB . 19006 1 831 . 1 1 73 73 CYS N N 15 118.9170 0.20 . 1 . . . . 73 CYS N . 19006 1 832 . 1 1 74 74 ALA H H 1 8.1050 0.02 . 1 . . . . 74 ALA H . 19006 1 833 . 1 1 74 74 ALA HA H 1 3.8450 0.02 . 1 . . . . 74 ALA HA . 19006 1 834 . 1 1 74 74 ALA HB1 H 1 1.2520 0.02 . 1 . . . . 74 ALA HB1 . 19006 1 835 . 1 1 74 74 ALA HB2 H 1 1.2520 0.02 . 1 . . . . 74 ALA HB1 . 19006 1 836 . 1 1 74 74 ALA HB3 H 1 1.2520 0.02 . 1 . . . . 74 ALA HB1 . 19006 1 837 . 1 1 74 74 ALA C C 13 179.9710 0.20 . 1 . . . . 74 ALA C . 19006 1 838 . 1 1 74 74 ALA CA C 13 55.2320 0.20 . 1 . . . . 74 ALA CA . 19006 1 839 . 1 1 74 74 ALA CB C 13 17.9720 0.20 . 1 . . . . 74 ALA CB . 19006 1 840 . 1 1 74 74 ALA N N 15 118.2700 0.20 . 1 . . . . 74 ALA N . 19006 1 841 . 1 1 75 75 LYS H H 1 7.5640 0.02 . 1 . . . . 75 LYS H . 19006 1 842 . 1 1 75 75 LYS HA H 1 4.3250 0.02 . 1 . . . . 75 LYS HA . 19006 1 843 . 1 1 75 75 LYS HB2 H 1 1.7210 0.02 . 2 . . . . 75 LYS HB2 . 19006 1 844 . 1 1 75 75 LYS HB3 H 1 1.9970 0.02 . 2 . . . . 75 LYS HB3 . 19006 1 845 . 1 1 75 75 LYS HG3 H 1 0.5890 0.02 . 2 . . . . 75 LYS HG3 . 19006 1 846 . 1 1 75 75 LYS HD3 H 1 1.5000 0.02 . 2 . . . . 75 LYS HD3 . 19006 1 847 . 1 1 75 75 LYS HE2 H 1 2.3210 0.02 . 2 . . . . 75 LYS HE2 . 19006 1 848 . 1 1 75 75 LYS HE3 H 1 2.4450 0.02 . 2 . . . . 75 LYS HE3 . 19006 1 849 . 1 1 75 75 LYS C C 13 176.7820 0.20 . 1 . . . . 75 LYS C . 19006 1 850 . 1 1 75 75 LYS CA C 13 57.6930 0.20 . 1 . . . . 75 LYS CA . 19006 1 851 . 1 1 75 75 LYS CB C 13 31.4610 0.20 . 1 . . . . 75 LYS CB . 19006 1 852 . 1 1 75 75 LYS CG C 13 24.5360 0.20 . 1 . . . . 75 LYS CG . 19006 1 853 . 1 1 75 75 LYS CD C 13 28.3190 0.20 . 1 . . . . 75 LYS CD . 19006 1 854 . 1 1 75 75 LYS CE C 13 42.0960 0.20 . 1 . . . . 75 LYS CE . 19006 1 855 . 1 1 75 75 LYS N N 15 120.3590 0.20 . 1 . . . . 75 LYS N . 19006 1 856 . 1 1 76 76 ALA H H 1 8.3610 0.02 . 1 . . . . 76 ALA H . 19006 1 857 . 1 1 76 76 ALA HA H 1 4.0110 0.02 . 1 . . . . 76 ALA HA . 19006 1 858 . 1 1 76 76 ALA HB1 H 1 1.3960 0.02 . 1 . . . . 76 ALA HB1 . 19006 1 859 . 1 1 76 76 ALA HB2 H 1 1.3960 0.02 . 1 . . . . 76 ALA HB1 . 19006 1 860 . 1 1 76 76 ALA HB3 H 1 1.3960 0.02 . 1 . . . . 76 ALA HB1 . 19006 1 861 . 1 1 76 76 ALA C C 13 178.9410 0.20 . 1 . . . . 76 ALA C . 19006 1 862 . 1 1 76 76 ALA CA C 13 55.2380 0.20 . 1 . . . . 76 ALA CA . 19006 1 863 . 1 1 76 76 ALA CB C 13 18.1880 0.20 . 1 . . . . 76 ALA CB . 19006 1 864 . 1 1 76 76 ALA N N 15 122.4680 0.20 . 1 . . . . 76 ALA N . 19006 1 865 . 1 1 77 77 VAL H H 1 8.8230 0.02 . 1 . . . . 77 VAL H . 19006 1 866 . 1 1 77 77 VAL HA H 1 3.2240 0.02 . 1 . . . . 77 VAL HA . 19006 1 867 . 1 1 77 77 VAL HB H 1 1.9380 0.02 . 1 . . . . 77 VAL HB . 19006 1 868 . 1 1 77 77 VAL HG11 H 1 0.8660 0.02 . 2 . . . . 77 VAL HG11 . 19006 1 869 . 1 1 77 77 VAL HG12 H 1 0.8660 0.02 . 2 . . . . 77 VAL HG11 . 19006 1 870 . 1 1 77 77 VAL HG13 H 1 0.8660 0.02 . 2 . . . . 77 VAL HG11 . 19006 1 871 . 1 1 77 77 VAL HG21 H 1 0.7320 0.02 . 2 . . . . 77 VAL HG21 . 19006 1 872 . 1 1 77 77 VAL HG22 H 1 0.7320 0.02 . 2 . . . . 77 VAL HG21 . 19006 1 873 . 1 1 77 77 VAL HG23 H 1 0.7320 0.02 . 2 . . . . 77 VAL HG21 . 19006 1 874 . 1 1 77 77 VAL C C 13 177.9190 0.20 . 1 . . . . 77 VAL C . 19006 1 875 . 1 1 77 77 VAL CA C 13 66.8650 0.20 . 1 . . . . 77 VAL CA . 19006 1 876 . 1 1 77 77 VAL CB C 13 31.9700 0.20 . 1 . . . . 77 VAL CB . 19006 1 877 . 1 1 77 77 VAL CG1 C 13 24.4320 0.20 . 2 . . . . 77 VAL CG1 . 19006 1 878 . 1 1 77 77 VAL CG2 C 13 20.9590 0.20 . 2 . . . . 77 VAL CG2 . 19006 1 879 . 1 1 77 77 VAL N N 15 118.0550 0.20 . 1 . . . . 77 VAL N . 19006 1 880 . 1 1 78 78 ASP H H 1 7.8390 0.02 . 1 . . . . 78 ASP H . 19006 1 881 . 1 1 78 78 ASP HA H 1 3.9730 0.02 . 1 . . . . 78 ASP HA . 19006 1 882 . 1 1 78 78 ASP HB2 H 1 2.6520 0.02 . 2 . . . . 78 ASP HB2 . 19006 1 883 . 1 1 78 78 ASP HB3 H 1 2.9100 0.02 . 2 . . . . 78 ASP HB3 . 19006 1 884 . 1 1 78 78 ASP C C 13 177.3930 0.20 . 1 . . . . 78 ASP C . 19006 1 885 . 1 1 78 78 ASP CA C 13 58.1150 0.20 . 1 . . . . 78 ASP CA . 19006 1 886 . 1 1 78 78 ASP CB C 13 42.3520 0.20 . 1 . . . . 78 ASP CB . 19006 1 887 . 1 1 78 78 ASP N N 15 121.7870 0.20 . 1 . . . . 78 ASP N . 19006 1 888 . 1 1 79 79 ILE H H 1 8.4160 0.02 . 1 . . . . 79 ILE H . 19006 1 889 . 1 1 79 79 ILE HA H 1 3.3380 0.02 . 1 . . . . 79 ILE HA . 19006 1 890 . 1 1 79 79 ILE HB H 1 1.5460 0.02 . 1 . . . . 79 ILE HB . 19006 1 891 . 1 1 79 79 ILE HG12 H 1 1.1290 0.02 . 2 . . . . 79 ILE HG12 . 19006 1 892 . 1 1 79 79 ILE HG13 H 1 1.0140 0.02 . 2 . . . . 79 ILE HG13 . 19006 1 893 . 1 1 79 79 ILE HG21 H 1 0.9830 0.02 . 1 . . . . 79 ILE HG21 . 19006 1 894 . 1 1 79 79 ILE HG22 H 1 0.9830 0.02 . 1 . . . . 79 ILE HG21 . 19006 1 895 . 1 1 79 79 ILE HG23 H 1 0.9830 0.02 . 1 . . . . 79 ILE HG21 . 19006 1 896 . 1 1 79 79 ILE HD11 H 1 0.4440 0.02 . 1 . . . . 79 ILE HD11 . 19006 1 897 . 1 1 79 79 ILE HD12 H 1 0.4440 0.02 . 1 . . . . 79 ILE HD11 . 19006 1 898 . 1 1 79 79 ILE HD13 H 1 0.4440 0.02 . 1 . . . . 79 ILE HD11 . 19006 1 899 . 1 1 79 79 ILE C C 13 177.5270 0.20 . 1 . . . . 79 ILE C . 19006 1 900 . 1 1 79 79 ILE CA C 13 64.5980 0.20 . 1 . . . . 79 ILE CA . 19006 1 901 . 1 1 79 79 ILE CB C 13 36.5590 0.20 . 1 . . . . 79 ILE CB . 19006 1 902 . 1 1 79 79 ILE CG1 C 13 28.8450 0.20 . 1 . . . . 79 ILE CG1 . 19006 1 903 . 1 1 79 79 ILE CG2 C 13 17.3820 0.20 . 1 . . . . 79 ILE CG2 . 19006 1 904 . 1 1 79 79 ILE CD1 C 13 12.0020 0.20 . 1 . . . . 79 ILE CD1 . 19006 1 905 . 1 1 79 79 ILE N N 15 119.1120 0.20 . 1 . . . . 79 ILE N . 19006 1 906 . 1 1 80 80 ASP H H 1 8.6790 0.02 . 1 . . . . 80 ASP H . 19006 1 907 . 1 1 80 80 ASP HA H 1 4.2180 0.02 . 1 . . . . 80 ASP HA . 19006 1 908 . 1 1 80 80 ASP HB2 H 1 2.2260 0.02 . 2 . . . . 80 ASP HB2 . 19006 1 909 . 1 1 80 80 ASP HB3 H 1 2.5330 0.02 . 2 . . . . 80 ASP HB3 . 19006 1 910 . 1 1 80 80 ASP C C 13 178.2400 0.20 . 1 . . . . 80 ASP C . 19006 1 911 . 1 1 80 80 ASP CA C 13 57.4630 0.20 . 1 . . . . 80 ASP CA . 19006 1 912 . 1 1 80 80 ASP CB C 13 43.5880 0.20 . 1 . . . . 80 ASP CB . 19006 1 913 . 1 1 80 80 ASP N N 15 119.5130 0.20 . 1 . . . . 80 ASP N . 19006 1 914 . 1 1 81 81 SER H H 1 8.5920 0.02 . 1 . . . . 81 SER H . 19006 1 915 . 1 1 81 81 SER HA H 1 3.9380 0.02 . 1 . . . . 81 SER HA . 19006 1 916 . 1 1 81 81 SER HB3 H 1 3.8190 0.02 . 2 . . . . 81 SER HB3 . 19006 1 917 . 1 1 81 81 SER C C 13 176.9010 0.20 . 1 . . . . 81 SER C . 19006 1 918 . 1 1 81 81 SER CA C 13 61.6860 0.20 . 1 . . . . 81 SER CA . 19006 1 919 . 1 1 81 81 SER CB C 13 63.0640 0.20 . 1 . . . . 81 SER CB . 19006 1 920 . 1 1 81 81 SER N N 15 114.1200 0.20 . 1 . . . . 81 SER N . 19006 1 921 . 1 1 82 82 LYS H H 1 8.5310 0.02 . 1 . . . . 82 LYS H . 19006 1 922 . 1 1 82 82 LYS HA H 1 3.8000 0.02 . 1 . . . . 82 LYS HA . 19006 1 923 . 1 1 82 82 LYS HB2 H 1 1.6030 0.02 . 2 . . . . 82 LYS HB2 . 19006 1 924 . 1 1 82 82 LYS HB3 H 1 1.3880 0.02 . 2 . . . . 82 LYS HB3 . 19006 1 925 . 1 1 82 82 LYS HG2 H 1 1.0240 0.02 . 2 . . . . 82 LYS HG2 . 19006 1 926 . 1 1 82 82 LYS HG3 H 1 1.1710 0.02 . 2 . . . . 82 LYS HG3 . 19006 1 927 . 1 1 82 82 LYS HD3 H 1 1.2230 0.02 . 2 . . . . 82 LYS HD3 . 19006 1 928 . 1 1 82 82 LYS HE3 H 1 2.5770 0.02 . 2 . . . . 82 LYS HE3 . 19006 1 929 . 1 1 82 82 LYS C C 13 178.9980 0.20 . 1 . . . . 82 LYS C . 19006 1 930 . 1 1 82 82 LYS CA C 13 59.7790 0.20 . 1 . . . . 82 LYS CA . 19006 1 931 . 1 1 82 82 LYS CB C 13 33.3460 0.20 . 1 . . . . 82 LYS CB . 19006 1 932 . 1 1 82 82 LYS CG C 13 26.5890 0.20 . 1 . . . . 82 LYS CG . 19006 1 933 . 1 1 82 82 LYS CD C 13 29.4430 0.20 . 1 . . . . 82 LYS CD . 19006 1 934 . 1 1 82 82 LYS CE C 13 41.9080 0.20 . 1 . . . . 82 LYS CE . 19006 1 935 . 1 1 82 82 LYS N N 15 124.1060 0.20 . 1 . . . . 82 LYS N . 19006 1 936 . 1 1 83 83 GLY H H 1 9.0710 0.02 . 1 . . . . 83 GLY H . 19006 1 937 . 1 1 83 83 GLY HA2 H 1 3.6890 0.02 . 2 . . . . 83 GLY HA2 . 19006 1 938 . 1 1 83 83 GLY HA3 H 1 3.8110 0.02 . 2 . . . . 83 GLY HA3 . 19006 1 939 . 1 1 83 83 GLY C C 13 176.4560 0.20 . 1 . . . . 83 GLY C . 19006 1 940 . 1 1 83 83 GLY CA C 13 46.7840 0.20 . 1 . . . . 83 GLY CA . 19006 1 941 . 1 1 83 83 GLY N N 15 107.7850 0.20 . 1 . . . . 83 GLY N . 19006 1 942 . 1 1 84 84 LYS H H 1 7.7420 0.02 . 1 . . . . 84 LYS H . 19006 1 943 . 1 1 84 84 LYS HA H 1 3.9290 0.02 . 1 . . . . 84 LYS HA . 19006 1 944 . 1 1 84 84 LYS HB2 H 1 1.4230 0.02 . 2 . . . . 84 LYS HB2 . 19006 1 945 . 1 1 84 84 LYS HB3 H 1 1.6390 0.02 . 2 . . . . 84 LYS HB3 . 19006 1 946 . 1 1 84 84 LYS HG2 H 1 1.1110 0.02 . 2 . . . . 84 LYS HG2 . 19006 1 947 . 1 1 84 84 LYS HG3 H 1 1.2620 0.02 . 2 . . . . 84 LYS HG3 . 19006 1 948 . 1 1 84 84 LYS HD3 H 1 1.3950 0.02 . 2 . . . . 84 LYS HD3 . 19006 1 949 . 1 1 84 84 LYS HE2 H 1 2.3810 0.02 . 2 . . . . 84 LYS HE2 . 19006 1 950 . 1 1 84 84 LYS HE3 H 1 2.5450 0.02 . 2 . . . . 84 LYS HE3 . 19006 1 951 . 1 1 84 84 LYS C C 13 176.4700 0.20 . 1 . . . . 84 LYS C . 19006 1 952 . 1 1 84 84 LYS CA C 13 58.3450 0.20 . 1 . . . . 84 LYS CA . 19006 1 953 . 1 1 84 84 LYS CB C 13 32.5550 0.20 . 1 . . . . 84 LYS CB . 19006 1 954 . 1 1 84 84 LYS CG C 13 25.6320 0.20 . 1 . . . . 84 LYS CG . 19006 1 955 . 1 1 84 84 LYS CD C 13 29.0990 0.20 . 1 . . . . 84 LYS CD . 19006 1 956 . 1 1 84 84 LYS CE C 13 42.2150 0.20 . 1 . . . . 84 LYS CE . 19006 1 957 . 1 1 84 84 LYS N N 15 121.8240 0.20 . 1 . . . . 84 LYS N . 19006 1 958 . 1 1 85 85 ALA H H 1 7.4500 0.02 . 1 . . . . 85 ALA H . 19006 1 959 . 1 1 85 85 ALA HA H 1 4.1950 0.02 . 1 . . . . 85 ALA HA . 19006 1 960 . 1 1 85 85 ALA HB1 H 1 0.6050 0.02 . 1 . . . . 85 ALA HB1 . 19006 1 961 . 1 1 85 85 ALA HB2 H 1 0.6050 0.02 . 1 . . . . 85 ALA HB1 . 19006 1 962 . 1 1 85 85 ALA HB3 H 1 0.6050 0.02 . 1 . . . . 85 ALA HB1 . 19006 1 963 . 1 1 85 85 ALA C C 13 175.9340 0.20 . 1 . . . . 85 ALA C . 19006 1 964 . 1 1 85 85 ALA CA C 13 51.6310 0.20 . 1 . . . . 85 ALA CA . 19006 1 965 . 1 1 85 85 ALA CB C 13 19.2910 0.20 . 1 . . . . 85 ALA CB . 19006 1 966 . 1 1 85 85 ALA N N 15 120.3200 0.20 . 1 . . . . 85 ALA N . 19006 1 967 . 1 1 86 86 ASN H H 1 7.9220 0.02 . 1 . . . . 86 ASN H . 19006 1 968 . 1 1 86 86 ASN HA H 1 4.2060 0.02 . 1 . . . . 86 ASN HA . 19006 1 969 . 1 1 86 86 ASN HB2 H 1 2.5680 0.02 . 2 . . . . 86 ASN HB2 . 19006 1 970 . 1 1 86 86 ASN HB3 H 1 2.7730 0.02 . 2 . . . . 86 ASN HB3 . 19006 1 971 . 1 1 86 86 ASN C C 13 174.1930 0.20 . 1 . . . . 86 ASN C . 19006 1 972 . 1 1 86 86 ASN CA C 13 54.2790 0.20 . 1 . . . . 86 ASN CA . 19006 1 973 . 1 1 86 86 ASN CB C 13 37.1780 0.20 . 1 . . . . 86 ASN CB . 19006 1 974 . 1 1 86 86 ASN N N 15 115.2300 0.20 . 1 . . . . 86 ASN N . 19006 1 975 . 1 1 87 87 CYS H H 1 7.9280 0.02 . 1 . . . . 87 CYS H . 19006 1 976 . 1 1 87 87 CYS HA H 1 4.2250 0.02 . 1 . . . . 87 CYS HA . 19006 1 977 . 1 1 87 87 CYS HB2 H 1 2.5750 0.02 . 2 . . . . 87 CYS HB2 . 19006 1 978 . 1 1 87 87 CYS HB3 H 1 2.9090 0.02 . 2 . . . . 87 CYS HB3 . 19006 1 979 . 1 1 87 87 CYS C C 13 173.1040 0.20 . 1 . . . . 87 CYS C . 19006 1 980 . 1 1 87 87 CYS CA C 13 58.8140 0.20 . 1 . . . . 87 CYS CA . 19006 1 981 . 1 1 87 87 CYS CB C 13 28.2970 0.20 . 1 . . . . 87 CYS CB . 19006 1 982 . 1 1 87 87 CYS N N 15 115.6240 0.20 . 1 . . . . 87 CYS N . 19006 1 983 . 1 1 88 88 ILE H H 1 8.1290 0.02 . 1 . . . . 88 ILE H . 19006 1 984 . 1 1 88 88 ILE HA H 1 3.7980 0.02 . 1 . . . . 88 ILE HA . 19006 1 985 . 1 1 88 88 ILE HB H 1 1.5460 0.02 . 1 . . . . 88 ILE HB . 19006 1 986 . 1 1 88 88 ILE HG12 H 1 1.4420 0.02 . 2 . . . . 88 ILE HG12 . 19006 1 987 . 1 1 88 88 ILE HG13 H 1 1.1390 0.02 . 2 . . . . 88 ILE HG13 . 19006 1 988 . 1 1 88 88 ILE HG21 H 1 0.7880 0.02 . 1 . . . . 88 ILE HG21 . 19006 1 989 . 1 1 88 88 ILE HG22 H 1 0.7880 0.02 . 1 . . . . 88 ILE HG21 . 19006 1 990 . 1 1 88 88 ILE HG23 H 1 0.7880 0.02 . 1 . . . . 88 ILE HG21 . 19006 1 991 . 1 1 88 88 ILE HD11 H 1 0.5500 0.02 . 1 . . . . 88 ILE HD11 . 19006 1 992 . 1 1 88 88 ILE HD12 H 1 0.5500 0.02 . 1 . . . . 88 ILE HD11 . 19006 1 993 . 1 1 88 88 ILE HD13 H 1 0.5500 0.02 . 1 . . . . 88 ILE HD11 . 19006 1 994 . 1 1 88 88 ILE C C 13 175.0740 0.20 . 1 . . . . 88 ILE C . 19006 1 995 . 1 1 88 88 ILE CA C 13 61.0300 0.20 . 1 . . . . 88 ILE CA . 19006 1 996 . 1 1 88 88 ILE CB C 13 37.4110 0.20 . 1 . . . . 88 ILE CB . 19006 1 997 . 1 1 88 88 ILE CG1 C 13 27.6160 0.20 . 1 . . . . 88 ILE CG1 . 19006 1 998 . 1 1 88 88 ILE CG2 C 13 17.3810 0.20 . 1 . . . . 88 ILE CG2 . 19006 1 999 . 1 1 88 88 ILE CD1 C 13 12.6230 0.20 . 1 . . . . 88 ILE CD1 . 19006 1 1000 . 1 1 88 88 ILE N N 15 122.7140 0.20 . 1 . . . . 88 ILE N . 19006 1 1001 . 1 1 89 89 PHE H H 1 8.3350 0.02 . 1 . . . . 89 PHE H . 19006 1 1002 . 1 1 89 89 PHE HA H 1 4.4400 0.02 . 1 . . . . 89 PHE HA . 19006 1 1003 . 1 1 89 89 PHE HB2 H 1 2.6460 0.02 . 2 . . . . 89 PHE HB2 . 19006 1 1004 . 1 1 89 89 PHE HB3 H 1 2.8020 0.02 . 2 . . . . 89 PHE HB3 . 19006 1 1005 . 1 1 89 89 PHE C C 13 174.6500 0.20 . 1 . . . . 89 PHE C . 19006 1 1006 . 1 1 89 89 PHE CA C 13 57.2710 0.20 . 1 . . . . 89 PHE CA . 19006 1 1007 . 1 1 89 89 PHE CB C 13 41.1690 0.20 . 1 . . . . 89 PHE CB . 19006 1 1008 . 1 1 89 89 PHE N N 15 125.5680 0.20 . 1 . . . . 89 PHE N . 19006 1 1009 . 1 1 90 90 ASP H H 1 8.9750 0.02 . 1 . . . . 90 ASP H . 19006 1 1010 . 1 1 90 90 ASP HA H 1 4.5290 0.02 . 1 . . . . 90 ASP HA . 19006 1 1011 . 1 1 90 90 ASP HB2 H 1 2.2640 0.02 . 2 . . . . 90 ASP HB2 . 19006 1 1012 . 1 1 90 90 ASP HB3 H 1 2.8320 0.02 . 2 . . . . 90 ASP HB3 . 19006 1 1013 . 1 1 90 90 ASP C C 13 174.8560 0.20 . 1 . . . . 90 ASP C . 19006 1 1014 . 1 1 90 90 ASP CA C 13 53.3200 0.20 . 1 . . . . 90 ASP CA . 19006 1 1015 . 1 1 90 90 ASP CB C 13 40.7340 0.20 . 1 . . . . 90 ASP CB . 19006 1 1016 . 1 1 90 90 ASP N N 15 122.5010 0.20 . 1 . . . . 90 ASP N . 19006 1 1017 . 1 1 91 91 GLU H H 1 8.5800 0.02 . 1 . . . . 91 GLU H . 19006 1 1018 . 1 1 91 91 GLU HA H 1 3.3810 0.02 . 1 . . . . 91 GLU HA . 19006 1 1019 . 1 1 91 91 GLU HB3 H 1 1.8400 0.02 . 2 . . . . 91 GLU HB3 . 19006 1 1020 . 1 1 91 91 GLU HG2 H 1 1.9930 0.02 . 2 . . . . 91 GLU HG2 . 19006 1 1021 . 1 1 91 91 GLU HG3 H 1 1.7840 0.02 . 2 . . . . 91 GLU HG3 . 19006 1 1022 . 1 1 91 91 GLU C C 13 176.1180 0.20 . 1 . . . . 91 GLU C . 19006 1 1023 . 1 1 91 91 GLU CA C 13 60.9540 0.20 . 1 . . . . 91 GLU CA . 19006 1 1024 . 1 1 91 91 GLU CB C 13 30.5790 0.20 . 1 . . . . 91 GLU CB . 19006 1 1025 . 1 1 91 91 GLU CG C 13 36.8060 0.20 . 1 . . . . 91 GLU CG . 19006 1 1026 . 1 1 91 91 GLU N N 15 125.0950 0.20 . 1 . . . . 91 GLU N . 19006 1 1027 . 1 1 92 92 ALA H H 1 8.4240 0.02 . 1 . . . . 92 ALA H . 19006 1 1028 . 1 1 92 92 ALA HA H 1 4.0590 0.02 . 1 . . . . 92 ALA HA . 19006 1 1029 . 1 1 92 92 ALA HB1 H 1 1.1320 0.02 . 1 . . . . 92 ALA HB1 . 19006 1 1030 . 1 1 92 92 ALA HB2 H 1 1.1320 0.02 . 1 . . . . 92 ALA HB1 . 19006 1 1031 . 1 1 92 92 ALA HB3 H 1 1.1320 0.02 . 1 . . . . 92 ALA HB1 . 19006 1 1032 . 1 1 92 92 ALA C C 13 180.7890 0.20 . 1 . . . . 92 ALA C . 19006 1 1033 . 1 1 92 92 ALA CA C 13 55.3530 0.20 . 1 . . . . 92 ALA CA . 19006 1 1034 . 1 1 92 92 ALA CB C 13 18.3140 0.20 . 1 . . . . 92 ALA CB . 19006 1 1035 . 1 1 92 92 ALA N N 15 119.6420 0.20 . 1 . . . . 92 ALA N . 19006 1 1036 . 1 1 93 93 GLU H H 1 8.0430 0.02 . 1 . . . . 93 GLU H . 19006 1 1037 . 1 1 93 93 GLU HA H 1 3.8430 0.02 . 1 . . . . 93 GLU HA . 19006 1 1038 . 1 1 93 93 GLU HB2 H 1 1.6680 0.02 . 2 . . . . 93 GLU HB2 . 19006 1 1039 . 1 1 93 93 GLU HB3 H 1 1.7910 0.02 . 2 . . . . 93 GLU HB3 . 19006 1 1040 . 1 1 93 93 GLU HG2 H 1 2.1790 0.02 . 2 . . . . 93 GLU HG2 . 19006 1 1041 . 1 1 93 93 GLU HG3 H 1 2.0150 0.02 . 2 . . . . 93 GLU HG3 . 19006 1 1042 . 1 1 93 93 GLU C C 13 178.9750 0.20 . 1 . . . . 93 GLU C . 19006 1 1043 . 1 1 93 93 GLU CA C 13 59.0520 0.20 . 1 . . . . 93 GLU CA . 19006 1 1044 . 1 1 93 93 GLU CB C 13 29.6910 0.20 . 1 . . . . 93 GLU CB . 19006 1 1045 . 1 1 93 93 GLU CG C 13 35.7520 0.20 . 1 . . . . 93 GLU CG . 19006 1 1046 . 1 1 93 93 GLU N N 15 118.8910 0.20 . 1 . . . . 93 GLU N . 19006 1 1047 . 1 1 94 94 GLU H H 1 8.3270 0.02 . 1 . . . . 94 GLU H . 19006 1 1048 . 1 1 94 94 GLU HA H 1 3.6250 0.02 . 1 . . . . 94 GLU HA . 19006 1 1049 . 1 1 94 94 GLU HB2 H 1 1.9680 0.02 . 2 . . . . 94 GLU HB2 . 19006 1 1050 . 1 1 94 94 GLU HB3 H 1 1.8000 0.02 . 2 . . . . 94 GLU HB3 . 19006 1 1051 . 1 1 94 94 GLU HG3 H 1 2.2620 0.02 . 2 . . . . 94 GLU HG3 . 19006 1 1052 . 1 1 94 94 GLU C C 13 179.2870 0.20 . 1 . . . . 94 GLU C . 19006 1 1053 . 1 1 94 94 GLU CA C 13 58.3450 0.20 . 1 . . . . 94 GLU CA . 19006 1 1054 . 1 1 94 94 GLU CB C 13 29.1800 0.20 . 1 . . . . 94 GLU CB . 19006 1 1055 . 1 1 94 94 GLU CG C 13 34.6860 0.20 . 1 . . . . 94 GLU CG . 19006 1 1056 . 1 1 94 94 GLU N N 15 118.6410 0.20 . 1 . . . . 94 GLU N . 19006 1 1057 . 1 1 95 95 VAL H H 1 8.5060 0.02 . 1 . . . . 95 VAL H . 19006 1 1058 . 1 1 95 95 VAL HA H 1 3.2440 0.02 . 1 . . . . 95 VAL HA . 19006 1 1059 . 1 1 95 95 VAL HB H 1 1.9680 0.02 . 1 . . . . 95 VAL HB . 19006 1 1060 . 1 1 95 95 VAL HG11 H 1 0.7640 0.02 . 2 . . . . 95 VAL HG11 . 19006 1 1061 . 1 1 95 95 VAL HG12 H 1 0.7640 0.02 . 2 . . . . 95 VAL HG11 . 19006 1 1062 . 1 1 95 95 VAL HG13 H 1 0.7640 0.02 . 2 . . . . 95 VAL HG11 . 19006 1 1063 . 1 1 95 95 VAL HG21 H 1 0.7410 0.02 . 2 . . . . 95 VAL HG21 . 19006 1 1064 . 1 1 95 95 VAL HG22 H 1 0.7410 0.02 . 2 . . . . 95 VAL HG21 . 19006 1 1065 . 1 1 95 95 VAL HG23 H 1 0.7410 0.02 . 2 . . . . 95 VAL HG21 . 19006 1 1066 . 1 1 95 95 VAL C C 13 176.8350 0.20 . 1 . . . . 95 VAL C . 19006 1 1067 . 1 1 95 95 VAL CA C 13 67.5270 0.20 . 1 . . . . 95 VAL CA . 19006 1 1068 . 1 1 95 95 VAL CB C 13 31.8760 0.20 . 1 . . . . 95 VAL CB . 19006 1 1069 . 1 1 95 95 VAL CG1 C 13 24.1620 0.20 . 2 . . . . 95 VAL CG1 . 19006 1 1070 . 1 1 95 95 VAL CG2 C 13 21.6910 0.20 . 2 . . . . 95 VAL CG2 . 19006 1 1071 . 1 1 95 95 VAL N N 15 119.2410 0.20 . 1 . . . . 95 VAL N . 19006 1 1072 . 1 1 96 96 ALA H H 1 7.6050 0.02 . 1 . . . . 96 ALA H . 19006 1 1073 . 1 1 96 96 ALA HA H 1 3.9350 0.02 . 1 . . . . 96 ALA HA . 19006 1 1074 . 1 1 96 96 ALA HB1 H 1 1.4450 0.02 . 1 . . . . 96 ALA HB1 . 19006 1 1075 . 1 1 96 96 ALA HB2 H 1 1.4450 0.02 . 1 . . . . 96 ALA HB1 . 19006 1 1076 . 1 1 96 96 ALA HB3 H 1 1.4450 0.02 . 1 . . . . 96 ALA HB1 . 19006 1 1077 . 1 1 96 96 ALA C C 13 179.1640 0.20 . 1 . . . . 96 ALA C . 19006 1 1078 . 1 1 96 96 ALA CA C 13 54.9690 0.20 . 1 . . . . 96 ALA CA . 19006 1 1079 . 1 1 96 96 ALA CB C 13 17.2160 0.20 . 1 . . . . 96 ALA CB . 19006 1 1080 . 1 1 96 96 ALA N N 15 120.1200 0.20 . 1 . . . . 96 ALA N . 19006 1 1081 . 1 1 97 97 ALA H H 1 6.5530 0.02 . 1 . . . . 97 ALA H . 19006 1 1082 . 1 1 97 97 ALA HA H 1 3.9530 0.02 . 1 . . . . 97 ALA HA . 19006 1 1083 . 1 1 97 97 ALA HB1 H 1 1.2810 0.02 . 1 . . . . 97 ALA HB1 . 19006 1 1084 . 1 1 97 97 ALA HB2 H 1 1.2810 0.02 . 1 . . . . 97 ALA HB1 . 19006 1 1085 . 1 1 97 97 ALA HB3 H 1 1.2810 0.02 . 1 . . . . 97 ALA HB1 . 19006 1 1086 . 1 1 97 97 ALA C C 13 180.6630 0.20 . 1 . . . . 97 ALA C . 19006 1 1087 . 1 1 97 97 ALA CA C 13 54.8540 0.20 . 1 . . . . 97 ALA CA . 19006 1 1088 . 1 1 97 97 ALA CB C 13 18.4910 0.20 . 1 . . . . 97 ALA CB . 19006 1 1089 . 1 1 97 97 ALA N N 15 118.6860 0.20 . 1 . . . . 97 ALA N . 19006 1 1090 . 1 1 98 98 MET H H 1 8.4640 0.02 . 1 . . . . 98 MET H . 19006 1 1091 . 1 1 98 98 MET HA H 1 3.9910 0.02 . 1 . . . . 98 MET HA . 19006 1 1092 . 1 1 98 98 MET HB2 H 1 1.7920 0.02 . 2 . . . . 98 MET HB2 . 19006 1 1093 . 1 1 98 98 MET HB3 H 1 1.3860 0.02 . 2 . . . . 98 MET HB3 . 19006 1 1094 . 1 1 98 98 MET HG2 H 1 1.9990 0.02 . 2 . . . . 98 MET HG2 . 19006 1 1095 . 1 1 98 98 MET HG3 H 1 2.1840 0.02 . 2 . . . . 98 MET HG3 . 19006 1 1096 . 1 1 98 98 MET C C 13 176.8880 0.20 . 1 . . . . 98 MET C . 19006 1 1097 . 1 1 98 98 MET CA C 13 58.0000 0.20 . 1 . . . . 98 MET CA . 19006 1 1098 . 1 1 98 98 MET CB C 13 32.7680 0.20 . 1 . . . . 98 MET CB . 19006 1 1099 . 1 1 98 98 MET CG C 13 31.7510 0.20 . 1 . . . . 98 MET CG . 19006 1 1100 . 1 1 98 98 MET N N 15 118.3600 0.20 . 1 . . . . 98 MET N . 19006 1 1101 . 1 1 99 99 ARG H H 1 8.8130 0.02 . 1 . . . . 99 ARG H . 19006 1 1102 . 1 1 99 99 ARG HA H 1 3.6290 0.02 . 1 . . . . 99 ARG HA . 19006 1 1103 . 1 1 99 99 ARG HB2 H 1 1.7320 0.02 . 2 . . . . 99 ARG HB2 . 19006 1 1104 . 1 1 99 99 ARG HB3 H 1 1.5660 0.02 . 2 . . . . 99 ARG HB3 . 19006 1 1105 . 1 1 99 99 ARG HG2 H 1 1.4220 0.02 . 2 . . . . 99 ARG HG2 . 19006 1 1106 . 1 1 99 99 ARG HG3 H 1 1.1130 0.02 . 2 . . . . 99 ARG HG3 . 19006 1 1107 . 1 1 99 99 ARG HD2 H 1 2.8000 0.02 . 2 . . . . 99 ARG HD2 . 19006 1 1108 . 1 1 99 99 ARG HD3 H 1 2.6650 0.02 . 2 . . . . 99 ARG HD3 . 19006 1 1109 . 1 1 99 99 ARG C C 13 177.2160 0.20 . 1 . . . . 99 ARG C . 19006 1 1110 . 1 1 99 99 ARG CA C 13 60.7620 0.20 . 1 . . . . 99 ARG CA . 19006 1 1111 . 1 1 99 99 ARG CB C 13 30.2370 0.20 . 1 . . . . 99 ARG CB . 19006 1 1112 . 1 1 99 99 ARG CG C 13 27.8580 0.20 . 1 . . . . 99 ARG CG . 19006 1 1113 . 1 1 99 99 ARG CD C 13 43.6660 0.20 . 1 . . . . 99 ARG CD . 19006 1 1114 . 1 1 99 99 ARG N N 15 119.4440 0.20 . 1 . . . . 99 ARG N . 19006 1 1115 . 1 1 100 100 ALA H H 1 7.9180 0.02 . 1 . . . . 100 ALA H . 19006 1 1116 . 1 1 100 100 ALA HA H 1 4.0000 0.02 . 1 . . . . 100 ALA HA . 19006 1 1117 . 1 1 100 100 ALA HB1 H 1 1.2670 0.02 . 1 . . . . 100 ALA HB1 . 19006 1 1118 . 1 1 100 100 ALA HB2 H 1 1.2670 0.02 . 1 . . . . 100 ALA HB1 . 19006 1 1119 . 1 1 100 100 ALA HB3 H 1 1.2670 0.02 . 1 . . . . 100 ALA HB1 . 19006 1 1120 . 1 1 100 100 ALA C C 13 179.5290 0.20 . 1 . . . . 100 ALA C . 19006 1 1121 . 1 1 100 100 ALA CA C 13 55.1230 0.20 . 1 . . . . 100 ALA CA . 19006 1 1122 . 1 1 100 100 ALA CB C 13 18.1040 0.20 . 1 . . . . 100 ALA CB . 19006 1 1123 . 1 1 100 100 ALA N N 15 118.9340 0.20 . 1 . . . . 100 ALA N . 19006 1 1124 . 1 1 101 101 LEU H H 1 7.7320 0.02 . 1 . . . . 101 LEU H . 19006 1 1125 . 1 1 101 101 LEU HA H 1 4.1600 0.02 . 1 . . . . 101 LEU HA . 19006 1 1126 . 1 1 101 101 LEU HB3 H 1 1.3500 0.02 . 2 . . . . 101 LEU HB3 . 19006 1 1127 . 1 1 101 101 LEU HG H 1 1.5270 0.02 . 1 . . . . 101 LEU HG . 19006 1 1128 . 1 1 101 101 LEU HD11 H 1 0.6400 0.02 . 2 . . . . 101 LEU HD11 . 19006 1 1129 . 1 1 101 101 LEU HD12 H 1 0.6400 0.02 . 2 . . . . 101 LEU HD11 . 19006 1 1130 . 1 1 101 101 LEU HD13 H 1 0.6400 0.02 . 2 . . . . 101 LEU HD11 . 19006 1 1131 . 1 1 101 101 LEU HD21 H 1 0.6800 0.02 . 2 . . . . 101 LEU HD21 . 19006 1 1132 . 1 1 101 101 LEU HD22 H 1 0.6800 0.02 . 2 . . . . 101 LEU HD21 . 19006 1 1133 . 1 1 101 101 LEU HD23 H 1 0.6800 0.02 . 2 . . . . 101 LEU HD21 . 19006 1 1134 . 1 1 101 101 LEU C C 13 180.4040 0.20 . 1 . . . . 101 LEU C . 19006 1 1135 . 1 1 101 101 LEU CA C 13 57.2980 0.20 . 1 . . . . 101 LEU CA . 19006 1 1136 . 1 1 101 101 LEU CB C 13 42.5870 0.20 . 1 . . . . 101 LEU CB . 19006 1 1137 . 1 1 101 101 LEU CG C 13 27.5810 0.20 . 1 . . . . 101 LEU CG . 19006 1 1138 . 1 1 101 101 LEU CD1 C 13 26.4790 0.20 . 2 . . . . 101 LEU CD1 . 19006 1 1139 . 1 1 101 101 LEU CD2 C 13 23.7720 0.20 . 2 . . . . 101 LEU CD2 . 19006 1 1140 . 1 1 101 101 LEU N N 15 119.1830 0.20 . 1 . . . . 101 LEU N . 19006 1 1141 . 1 1 102 102 ILE H H 1 8.9920 0.02 . 1 . . . . 102 ILE H . 19006 1 1142 . 1 1 102 102 ILE HA H 1 3.3180 0.02 . 1 . . . . 102 ILE HA . 19006 1 1143 . 1 1 102 102 ILE HB H 1 1.8860 0.02 . 1 . . . . 102 ILE HB . 19006 1 1144 . 1 1 102 102 ILE HG12 H 1 1.3050 0.02 . 2 . . . . 102 ILE HG12 . 19006 1 1145 . 1 1 102 102 ILE HG13 H 1 1.6470 0.02 . 2 . . . . 102 ILE HG13 . 19006 1 1146 . 1 1 102 102 ILE HG21 H 1 0.7730 0.02 . 1 . . . . 102 ILE HG21 . 19006 1 1147 . 1 1 102 102 ILE HG22 H 1 0.7730 0.02 . 1 . . . . 102 ILE HG21 . 19006 1 1148 . 1 1 102 102 ILE HG23 H 1 0.7730 0.02 . 1 . . . . 102 ILE HG21 . 19006 1 1149 . 1 1 102 102 ILE HD11 H 1 0.6030 0.02 . 1 . . . . 102 ILE HD11 . 19006 1 1150 . 1 1 102 102 ILE HD12 H 1 0.6030 0.02 . 1 . . . . 102 ILE HD11 . 19006 1 1151 . 1 1 102 102 ILE HD13 H 1 0.6030 0.02 . 1 . . . . 102 ILE HD11 . 19006 1 1152 . 1 1 102 102 ILE C C 13 176.8550 0.20 . 1 . . . . 102 ILE C . 19006 1 1153 . 1 1 102 102 ILE CA C 13 67.3600 0.20 . 1 . . . . 102 ILE CA . 19006 1 1154 . 1 1 102 102 ILE CB C 13 37.9390 0.20 . 1 . . . . 102 ILE CB . 19006 1 1155 . 1 1 102 102 ILE CG1 C 13 31.6710 0.20 . 1 . . . . 102 ILE CG1 . 19006 1 1156 . 1 1 102 102 ILE CG2 C 13 20.1310 0.20 . 1 . . . . 102 ILE CG2 . 19006 1 1157 . 1 1 102 102 ILE CD1 C 13 14.8070 0.20 . 1 . . . . 102 ILE CD1 . 19006 1 1158 . 1 1 102 102 ILE N N 15 124.3140 0.20 . 1 . . . . 102 ILE N . 19006 1 1159 . 1 1 103 103 GLU H H 1 8.4640 0.02 . 1 . . . . 103 GLU H . 19006 1 1160 . 1 1 103 103 GLU HA H 1 3.6200 0.02 . 1 . . . . 103 GLU HA . 19006 1 1161 . 1 1 103 103 GLU HB3 H 1 1.9680 0.02 . 2 . . . . 103 GLU HB3 . 19006 1 1162 . 1 1 103 103 GLU HG3 H 1 2.3090 0.02 . 2 . . . . 103 GLU HG3 . 19006 1 1163 . 1 1 103 103 GLU C C 13 179.2380 0.20 . 1 . . . . 103 GLU C . 19006 1 1164 . 1 1 103 103 GLU CA C 13 60.2790 0.20 . 1 . . . . 103 GLU CA . 19006 1 1165 . 1 1 103 103 GLU CB C 13 29.2780 0.20 . 1 . . . . 103 GLU CB . 19006 1 1166 . 1 1 103 103 GLU CG C 13 37.3350 0.20 . 1 . . . . 103 GLU CG . 19006 1 1167 . 1 1 103 103 GLU N N 15 120.1040 0.20 . 1 . . . . 103 GLU N . 19006 1 1168 . 1 1 104 104 GLU H H 1 8.5330 0.02 . 1 . . . . 104 GLU H . 19006 1 1169 . 1 1 104 104 GLU HA H 1 3.8520 0.02 . 1 . . . . 104 GLU HA . 19006 1 1170 . 1 1 104 104 GLU HB2 H 1 2.0210 0.02 . 2 . . . . 104 GLU HB2 . 19006 1 1171 . 1 1 104 104 GLU HB3 H 1 1.8810 0.02 . 2 . . . . 104 GLU HB3 . 19006 1 1172 . 1 1 104 104 GLU HG2 H 1 2.4220 0.02 . 2 . . . . 104 GLU HG2 . 19006 1 1173 . 1 1 104 104 GLU HG3 H 1 2.1730 0.02 . 2 . . . . 104 GLU HG3 . 19006 1 1174 . 1 1 104 104 GLU C C 13 176.8200 0.20 . 1 . . . . 104 GLU C . 19006 1 1175 . 1 1 104 104 GLU CA C 13 58.9560 0.20 . 1 . . . . 104 GLU CA . 19006 1 1176 . 1 1 104 104 GLU CB C 13 30.9050 0.20 . 1 . . . . 104 GLU CB . 19006 1 1177 . 1 1 104 104 GLU CG C 13 36.4790 0.20 . 1 . . . . 104 GLU CG . 19006 1 1178 . 1 1 104 104 GLU N N 15 119.5030 0.20 . 1 . . . . 104 GLU N . 19006 1 1179 . 1 1 105 105 THR H H 1 8.6100 0.02 . 1 . . . . 105 THR H . 19006 1 1180 . 1 1 105 105 THR HA H 1 4.1660 0.02 . 1 . . . . 105 THR HA . 19006 1 1181 . 1 1 105 105 THR HB H 1 3.6250 0.02 . 1 . . . . 105 THR HB . 19006 1 1182 . 1 1 105 105 THR HG21 H 1 1.0910 0.02 . 1 . . . . 105 THR HG21 . 19006 1 1183 . 1 1 105 105 THR HG22 H 1 1.0910 0.02 . 1 . . . . 105 THR HG21 . 19006 1 1184 . 1 1 105 105 THR HG23 H 1 1.0910 0.02 . 1 . . . . 105 THR HG21 . 19006 1 1185 . 1 1 105 105 THR C C 13 174.7780 0.20 . 1 . . . . 105 THR C . 19006 1 1186 . 1 1 105 105 THR CA C 13 68.6810 0.20 . 1 . . . . 105 THR CA . 19006 1 1187 . 1 1 105 105 THR CB C 13 69.6440 0.20 . 1 . . . . 105 THR CB . 19006 1 1188 . 1 1 105 105 THR CG2 C 13 22.4090 0.20 . 1 . . . . 105 THR CG2 . 19006 1 1189 . 1 1 105 105 THR N N 15 121.9320 0.20 . 1 . . . . 105 THR N . 19006 1 1190 . 1 1 106 106 HIS H H 1 9.1560 0.02 . 1 . . . . 106 HIS H . 19006 1 1191 . 1 1 106 106 HIS HA H 1 4.4330 0.02 . 1 . . . . 106 HIS HA . 19006 1 1192 . 1 1 106 106 HIS HB2 H 1 2.7110 0.02 . 2 . . . . 106 HIS HB2 . 19006 1 1193 . 1 1 106 106 HIS HB3 H 1 3.0880 0.02 . 2 . . . . 106 HIS HB3 . 19006 1 1194 . 1 1 106 106 HIS C C 13 176.3780 0.20 . 1 . . . . 106 HIS C . 19006 1 1195 . 1 1 106 106 HIS CA C 13 61.5580 0.20 . 1 . . . . 106 HIS CA . 19006 1 1196 . 1 1 106 106 HIS CB C 13 30.8570 0.20 . 1 . . . . 106 HIS CB . 19006 1 1197 . 1 1 106 106 HIS N N 15 122.6930 0.20 . 1 . . . . 106 HIS N . 19006 1 1198 . 1 1 107 107 ARG H H 1 8.2580 0.02 . 1 . . . . 107 ARG H . 19006 1 1199 . 1 1 107 107 ARG HA H 1 3.7910 0.02 . 1 . . . . 107 ARG HA . 19006 1 1200 . 1 1 107 107 ARG HB2 H 1 1.7540 0.02 . 2 . . . . 107 ARG HB2 . 19006 1 1201 . 1 1 107 107 ARG HB3 H 1 1.5920 0.02 . 2 . . . . 107 ARG HB3 . 19006 1 1202 . 1 1 107 107 ARG HG2 H 1 1.4320 0.02 . 2 . . . . 107 ARG HG2 . 19006 1 1203 . 1 1 107 107 ARG HG3 H 1 1.6220 0.02 . 2 . . . . 107 ARG HG3 . 19006 1 1204 . 1 1 107 107 ARG HD3 H 1 3.0440 0.02 . 2 . . . . 107 ARG HD3 . 19006 1 1205 . 1 1 107 107 ARG C C 13 178.1550 0.20 . 1 . . . . 107 ARG C . 19006 1 1206 . 1 1 107 107 ARG CA C 13 60.0540 0.20 . 1 . . . . 107 ARG CA . 19006 1 1207 . 1 1 107 107 ARG CB C 13 30.4500 0.20 . 1 . . . . 107 ARG CB . 19006 1 1208 . 1 1 107 107 ARG CG C 13 27.5840 0.20 . 1 . . . . 107 ARG CG . 19006 1 1209 . 1 1 107 107 ARG CD C 13 43.5610 0.20 . 1 . . . . 107 ARG CD . 19006 1 1210 . 1 1 107 107 ARG N N 15 117.7120 0.20 . 1 . . . . 107 ARG N . 19006 1 1211 . 1 1 108 108 CYS H H 1 7.7910 0.02 . 1 . . . . 108 CYS H . 19006 1 1212 . 1 1 108 108 CYS HA H 1 4.2480 0.02 . 1 . . . . 108 CYS HA . 19006 1 1213 . 1 1 108 108 CYS HB2 H 1 2.7920 0.02 . 2 . . . . 108 CYS HB2 . 19006 1 1214 . 1 1 108 108 CYS HB3 H 1 2.6070 0.02 . 2 . . . . 108 CYS HB3 . 19006 1 1215 . 1 1 108 108 CYS C C 13 177.2170 0.20 . 1 . . . . 108 CYS C . 19006 1 1216 . 1 1 108 108 CYS CA C 13 62.9970 0.20 . 1 . . . . 108 CYS CA . 19006 1 1217 . 1 1 108 108 CYS CB C 13 26.9880 0.20 . 1 . . . . 108 CYS CB . 19006 1 1218 . 1 1 108 108 CYS N N 15 116.4620 0.20 . 1 . . . . 108 CYS N . 19006 1 1219 . 1 1 109 109 TYR H H 1 8.4310 0.02 . 1 . . . . 109 TYR H . 19006 1 1220 . 1 1 109 109 TYR HA H 1 4.3860 0.02 . 1 . . . . 109 TYR HA . 19006 1 1221 . 1 1 109 109 TYR HB2 H 1 2.5570 0.02 . 2 . . . . 109 TYR HB2 . 19006 1 1222 . 1 1 109 109 TYR HB3 H 1 2.7330 0.02 . 2 . . . . 109 TYR HB3 . 19006 1 1223 . 1 1 109 109 TYR C C 13 177.5910 0.20 . 1 . . . . 109 TYR C . 19006 1 1224 . 1 1 109 109 TYR CA C 13 62.4750 0.20 . 1 . . . . 109 TYR CA . 19006 1 1225 . 1 1 109 109 TYR CB C 13 39.4460 0.20 . 1 . . . . 109 TYR CB . 19006 1 1226 . 1 1 109 109 TYR N N 15 119.3050 0.20 . 1 . . . . 109 TYR N . 19006 1 1227 . 1 1 110 110 CYS H H 1 8.1680 0.02 . 1 . . . . 110 CYS H . 19006 1 1228 . 1 1 110 110 CYS HA H 1 3.8440 0.02 . 1 . . . . 110 CYS HA . 19006 1 1229 . 1 1 110 110 CYS HB2 H 1 2.6400 0.02 . 2 . . . . 110 CYS HB2 . 19006 1 1230 . 1 1 110 110 CYS HB3 H 1 2.3500 0.02 . 2 . . . . 110 CYS HB3 . 19006 1 1231 . 1 1 110 110 CYS C C 13 175.3980 0.20 . 1 . . . . 110 CYS C . 19006 1 1232 . 1 1 110 110 CYS CA C 13 62.8490 0.20 . 1 . . . . 110 CYS CA . 19006 1 1233 . 1 1 110 110 CYS CB C 13 26.5750 0.20 . 1 . . . . 110 CYS CB . 19006 1 1234 . 1 1 110 110 CYS N N 15 117.3300 0.20 . 1 . . . . 110 CYS N . 19006 1 1235 . 1 1 111 111 HIS H H 1 7.5250 0.02 . 1 . . . . 111 HIS H . 19006 1 1236 . 1 1 111 111 HIS HA H 1 4.5130 0.02 . 1 . . . . 111 HIS HA . 19006 1 1237 . 1 1 111 111 HIS HB2 H 1 2.7970 0.02 . 2 . . . . 111 HIS HB2 . 19006 1 1238 . 1 1 111 111 HIS HB3 H 1 3.2400 0.02 . 2 . . . . 111 HIS HB3 . 19006 1 1239 . 1 1 111 111 HIS C C 13 174.8650 0.20 . 1 . . . . 111 HIS C . 19006 1 1240 . 1 1 111 111 HIS CA C 13 56.1780 0.20 . 1 . . . . 111 HIS CA . 19006 1 1241 . 1 1 111 111 HIS CB C 13 28.7300 0.20 . 1 . . . . 111 HIS CB . 19006 1 1242 . 1 1 111 111 HIS N N 15 116.1480 0.20 . 1 . . . . 111 HIS N . 19006 1 1243 . 1 1 112 112 LEU H H 1 7.5120 0.02 . 1 . . . . 112 LEU H . 19006 1 1244 . 1 1 112 112 LEU HA H 1 3.3080 0.02 . 1 . . . . 112 LEU HA . 19006 1 1245 . 1 1 112 112 LEU HB3 H 1 1.4760 0.02 . 2 . . . . 112 LEU HB3 . 19006 1 1246 . 1 1 112 112 LEU HG H 1 0.6420 0.02 . 1 . . . . 112 LEU HG . 19006 1 1247 . 1 1 112 112 LEU HD11 H 1 0.1770 0.02 . 2 . . . . 112 LEU HD11 . 19006 1 1248 . 1 1 112 112 LEU HD12 H 1 0.1770 0.02 . 2 . . . . 112 LEU HD11 . 19006 1 1249 . 1 1 112 112 LEU HD13 H 1 0.1770 0.02 . 2 . . . . 112 LEU HD11 . 19006 1 1250 . 1 1 112 112 LEU HD21 H 1 0.4530 0.02 . 2 . . . . 112 LEU HD21 . 19006 1 1251 . 1 1 112 112 LEU HD22 H 1 0.4530 0.02 . 2 . . . . 112 LEU HD21 . 19006 1 1252 . 1 1 112 112 LEU HD23 H 1 0.4530 0.02 . 2 . . . . 112 LEU HD21 . 19006 1 1253 . 1 1 112 112 LEU C C 13 177.0640 0.20 . 1 . . . . 112 LEU C . 19006 1 1254 . 1 1 112 112 LEU CA C 13 57.3870 0.20 . 1 . . . . 112 LEU CA . 19006 1 1255 . 1 1 112 112 LEU CB C 13 42.8370 0.20 . 1 . . . . 112 LEU CB . 19006 1 1256 . 1 1 112 112 LEU CG C 13 26.9970 0.20 . 1 . . . . 112 LEU CG . 19006 1 1257 . 1 1 112 112 LEU CD1 C 13 24.4670 0.20 . 2 . . . . 112 LEU CD1 . 19006 1 1258 . 1 1 112 112 LEU CD2 C 13 24.7670 0.20 . 2 . . . . 112 LEU CD2 . 19006 1 1259 . 1 1 112 112 LEU N N 15 121.0710 0.20 . 1 . . . . 112 LEU N . 19006 1 1260 . 1 1 113 113 MET H H 1 8.0990 0.02 . 1 . . . . 113 MET H . 19006 1 1261 . 1 1 113 113 MET HA H 1 4.3360 0.02 . 1 . . . . 113 MET HA . 19006 1 1262 . 1 1 113 113 MET HB2 H 1 2.0340 0.02 . 2 . . . . 113 MET HB2 . 19006 1 1263 . 1 1 113 113 MET HB3 H 1 1.7410 0.02 . 2 . . . . 113 MET HB3 . 19006 1 1264 . 1 1 113 113 MET HG2 H 1 2.1980 0.02 . 2 . . . . 113 MET HG2 . 19006 1 1265 . 1 1 113 113 MET HG3 H 1 2.3510 0.02 . 2 . . . . 113 MET HG3 . 19006 1 1266 . 1 1 113 113 MET C C 13 174.7680 0.20 . 1 . . . . 113 MET C . 19006 1 1267 . 1 1 113 113 MET CA C 13 54.5320 0.20 . 1 . . . . 113 MET CA . 19006 1 1268 . 1 1 113 113 MET CB C 13 32.1640 0.20 . 1 . . . . 113 MET CB . 19006 1 1269 . 1 1 113 113 MET CG C 13 33.5440 0.20 . 1 . . . . 113 MET CG . 19006 1 1270 . 1 1 113 113 MET N N 15 115.4850 0.20 . 1 . . . . 113 MET N . 19006 1 1271 . 1 1 114 114 ASP H H 1 7.4790 0.02 . 1 . . . . 114 ASP H . 19006 1 1272 . 1 1 114 114 ASP HA H 1 4.3180 0.02 . 1 . . . . 114 ASP HA . 19006 1 1273 . 1 1 114 114 ASP HB3 H 1 2.6630 0.02 . 2 . . . . 114 ASP HB3 . 19006 1 1274 . 1 1 114 114 ASP C C 13 180.6430 0.20 . 1 . . . . 114 ASP C . 19006 1 1275 . 1 1 114 114 ASP CA C 13 56.7320 0.20 . 1 . . . . 114 ASP CA . 19006 1 1276 . 1 1 114 114 ASP CB C 13 41.7690 0.20 . 1 . . . . 114 ASP CB . 19006 1 1277 . 1 1 114 114 ASP N N 15 126.0770 0.20 . 1 . . . . 114 ASP N . 19006 1 stop_ save_