data_25387 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25387 _Entry.Title ; Backbone and side-chain 1H, 15N, 13C assignment and secondary structure of BPSL1445 from Burkholderia pseudomallei ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-12-10 _Entry.Accession_date 2014-12-10 _Entry.Last_release_date 2015-06-04 _Entry.Original_release_date 2015-06-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.97 _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.ORCID _Entry_author.Entry_ID 1 Giovanna Musco . . . . 25387 2 Martino Bolognesi . . . . 25387 3 Andrea Berardi . . . . 25387 4 Davide Gaudesi . . . . 25387 5 Louise Gourlay . J. . . 25387 6 Giacomo Quilici . . . . 25387 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Biomolecular NMR Unit; S. Raffaele Scientific Institute' . 25387 2 . 'Department of Biosciences; University of Milan' . 25387 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25387 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 663 25387 '15N chemical shifts' 168 25387 '1H chemical shifts' 1083 25387 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 . . 2016-02-18 2014-12-10 update BMRB 'update entry citation' 25387 1 . . 2015-06-04 2014-12-10 original author 'original release' 25387 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID REF YP_108067 . 25387 stop_ save_ ############### # Citations # ############### save_citation_BPSL1445 _Citation.Sf_category citations _Citation.Sf_framecode citation_BPSL1445 _Citation.Entry_ID 25387 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25893672 _Citation.Full_citation . _Citation.Title ; Backbone and side-chain 1H, 15N, 13C assignment and secondary structure of BPSL1445 from Burkholderia pseudomallei ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 347 _Citation.Page_last 350 _Citation.Year 2015 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Giacomo Quilici . . . . 25387 1 2 Andrea Berardi . . . . 25387 1 3 Davide Gaudesi . . . . 25387 1 4 Louise Gourlay . J. . . 25387 1 5 Martino Bolognesi . . . . 25387 1 6 Giovanna Musco . . . . 25387 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25387 _Assembly.ID 1 _Assembly.Name bpsl1445 _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 entity_1 1 $entity A . yes native no no . . . 25387 1 2 entity_2 1 $entity B . yes native no no . . . 25387 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25387 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BPSL1445 _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 ; GSATNASKRQAIDASVDATL SRLYSTVRGSRELVAKSRGV LVFPDVIQAGLIIGGQTGNG ALRVGGATVGYYNTSSLSVG LQAGAQSKAIVFLFMTQDAL DKFRNSDGWAAGADASVALV KMGANGAIDTTTATAPVEVI VLTNAGLMGDVSISGTKVTK LKI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 163 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 25387 1 2 . SER . 25387 1 3 . ALA . 25387 1 4 . THR . 25387 1 5 . ASN . 25387 1 6 . ALA . 25387 1 7 . SER . 25387 1 8 . LYS . 25387 1 9 . ARG . 25387 1 10 . GLN . 25387 1 11 . ALA . 25387 1 12 . ILE . 25387 1 13 . ASP . 25387 1 14 . ALA . 25387 1 15 . SER . 25387 1 16 . VAL . 25387 1 17 . ASP . 25387 1 18 . ALA . 25387 1 19 . THR . 25387 1 20 . LEU . 25387 1 21 . SER . 25387 1 22 . ARG . 25387 1 23 . LEU . 25387 1 24 . TYR . 25387 1 25 . SER . 25387 1 26 . THR . 25387 1 27 . VAL . 25387 1 28 . ARG . 25387 1 29 . GLY . 25387 1 30 . SER . 25387 1 31 . ARG . 25387 1 32 . GLU . 25387 1 33 . LEU . 25387 1 34 . VAL . 25387 1 35 . ALA . 25387 1 36 . LYS . 25387 1 37 . SER . 25387 1 38 . ARG . 25387 1 39 . GLY . 25387 1 40 . VAL . 25387 1 41 . LEU . 25387 1 42 . VAL . 25387 1 43 . PHE . 25387 1 44 . PRO . 25387 1 45 . ASP . 25387 1 46 . VAL . 25387 1 47 . ILE . 25387 1 48 . GLN . 25387 1 49 . ALA . 25387 1 50 . GLY . 25387 1 51 . LEU . 25387 1 52 . ILE . 25387 1 53 . ILE . 25387 1 54 . GLY . 25387 1 55 . GLY . 25387 1 56 . GLN . 25387 1 57 . THR . 25387 1 58 . GLY . 25387 1 59 . ASN . 25387 1 60 . GLY . 25387 1 61 . ALA . 25387 1 62 . LEU . 25387 1 63 . ARG . 25387 1 64 . VAL . 25387 1 65 . GLY . 25387 1 66 . GLY . 25387 1 67 . ALA . 25387 1 68 . THR . 25387 1 69 . VAL . 25387 1 70 . GLY . 25387 1 71 . TYR . 25387 1 72 . TYR . 25387 1 73 . ASN . 25387 1 74 . THR . 25387 1 75 . SER . 25387 1 76 . SER . 25387 1 77 . LEU . 25387 1 78 . SER . 25387 1 79 . VAL . 25387 1 80 . GLY . 25387 1 81 . LEU . 25387 1 82 . GLN . 25387 1 83 . ALA . 25387 1 84 . GLY . 25387 1 85 . ALA . 25387 1 86 . GLN . 25387 1 87 . SER . 25387 1 88 . LYS . 25387 1 89 . ALA . 25387 1 90 . ILE . 25387 1 91 . VAL . 25387 1 92 . PHE . 25387 1 93 . LEU . 25387 1 94 . PHE . 25387 1 95 . MET . 25387 1 96 . THR . 25387 1 97 . GLN . 25387 1 98 . ASP . 25387 1 99 . ALA . 25387 1 100 . LEU . 25387 1 101 . ASP . 25387 1 102 . LYS . 25387 1 103 . PHE . 25387 1 104 . ARG . 25387 1 105 . ASN . 25387 1 106 . SER . 25387 1 107 . ASP . 25387 1 108 . GLY . 25387 1 109 . TRP . 25387 1 110 . ALA . 25387 1 111 . ALA . 25387 1 112 . GLY . 25387 1 113 . ALA . 25387 1 114 . ASP . 25387 1 115 . ALA . 25387 1 116 . SER . 25387 1 117 . VAL . 25387 1 118 . ALA . 25387 1 119 . LEU . 25387 1 120 . VAL . 25387 1 121 . LYS . 25387 1 122 . MET . 25387 1 123 . GLY . 25387 1 124 . ALA . 25387 1 125 . ASN . 25387 1 126 . GLY . 25387 1 127 . ALA . 25387 1 128 . ILE . 25387 1 129 . ASP . 25387 1 130 . THR . 25387 1 131 . THR . 25387 1 132 . THR . 25387 1 133 . ALA . 25387 1 134 . THR . 25387 1 135 . ALA . 25387 1 136 . PRO . 25387 1 137 . VAL . 25387 1 138 . GLU . 25387 1 139 . VAL . 25387 1 140 . ILE . 25387 1 141 . VAL . 25387 1 142 . LEU . 25387 1 143 . THR . 25387 1 144 . ASN . 25387 1 145 . ALA . 25387 1 146 . GLY . 25387 1 147 . LEU . 25387 1 148 . MET . 25387 1 149 . GLY . 25387 1 150 . ASP . 25387 1 151 . VAL . 25387 1 152 . SER . 25387 1 153 . ILE . 25387 1 154 . SER . 25387 1 155 . GLY . 25387 1 156 . THR . 25387 1 157 . LYS . 25387 1 158 . VAL . 25387 1 159 . THR . 25387 1 160 . LYS . 25387 1 161 . LEU . 25387 1 162 . LYS . 25387 1 163 . ILE . 25387 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 25387 1 . SER 2 2 25387 1 . ALA 3 3 25387 1 . THR 4 4 25387 1 . ASN 5 5 25387 1 . ALA 6 6 25387 1 . SER 7 7 25387 1 . LYS 8 8 25387 1 . ARG 9 9 25387 1 . GLN 10 10 25387 1 . ALA 11 11 25387 1 . ILE 12 12 25387 1 . ASP 13 13 25387 1 . ALA 14 14 25387 1 . SER 15 15 25387 1 . VAL 16 16 25387 1 . ASP 17 17 25387 1 . ALA 18 18 25387 1 . THR 19 19 25387 1 . LEU 20 20 25387 1 . SER 21 21 25387 1 . ARG 22 22 25387 1 . LEU 23 23 25387 1 . TYR 24 24 25387 1 . SER 25 25 25387 1 . THR 26 26 25387 1 . VAL 27 27 25387 1 . ARG 28 28 25387 1 . GLY 29 29 25387 1 . SER 30 30 25387 1 . ARG 31 31 25387 1 . GLU 32 32 25387 1 . LEU 33 33 25387 1 . VAL 34 34 25387 1 . ALA 35 35 25387 1 . LYS 36 36 25387 1 . SER 37 37 25387 1 . ARG 38 38 25387 1 . GLY 39 39 25387 1 . VAL 40 40 25387 1 . LEU 41 41 25387 1 . VAL 42 42 25387 1 . PHE 43 43 25387 1 . PRO 44 44 25387 1 . ASP 45 45 25387 1 . VAL 46 46 25387 1 . ILE 47 47 25387 1 . GLN 48 48 25387 1 . ALA 49 49 25387 1 . GLY 50 50 25387 1 . LEU 51 51 25387 1 . ILE 52 52 25387 1 . ILE 53 53 25387 1 . GLY 54 54 25387 1 . GLY 55 55 25387 1 . GLN 56 56 25387 1 . THR 57 57 25387 1 . GLY 58 58 25387 1 . ASN 59 59 25387 1 . GLY 60 60 25387 1 . ALA 61 61 25387 1 . LEU 62 62 25387 1 . ARG 63 63 25387 1 . VAL 64 64 25387 1 . GLY 65 65 25387 1 . GLY 66 66 25387 1 . ALA 67 67 25387 1 . THR 68 68 25387 1 . VAL 69 69 25387 1 . GLY 70 70 25387 1 . TYR 71 71 25387 1 . TYR 72 72 25387 1 . ASN 73 73 25387 1 . THR 74 74 25387 1 . SER 75 75 25387 1 . SER 76 76 25387 1 . LEU 77 77 25387 1 . SER 78 78 25387 1 . VAL 79 79 25387 1 . GLY 80 80 25387 1 . LEU 81 81 25387 1 . GLN 82 82 25387 1 . ALA 83 83 25387 1 . GLY 84 84 25387 1 . ALA 85 85 25387 1 . GLN 86 86 25387 1 . SER 87 87 25387 1 . LYS 88 88 25387 1 . ALA 89 89 25387 1 . ILE 90 90 25387 1 . VAL 91 91 25387 1 . PHE 92 92 25387 1 . LEU 93 93 25387 1 . PHE 94 94 25387 1 . MET 95 95 25387 1 . THR 96 96 25387 1 . GLN 97 97 25387 1 . ASP 98 98 25387 1 . ALA 99 99 25387 1 . LEU 100 100 25387 1 . ASP 101 101 25387 1 . LYS 102 102 25387 1 . PHE 103 103 25387 1 . ARG 104 104 25387 1 . ASN 105 105 25387 1 . SER 106 106 25387 1 . ASP 107 107 25387 1 . GLY 108 108 25387 1 . TRP 109 109 25387 1 . ALA 110 110 25387 1 . ALA 111 111 25387 1 . GLY 112 112 25387 1 . ALA 113 113 25387 1 . ASP 114 114 25387 1 . ALA 115 115 25387 1 . SER 116 116 25387 1 . VAL 117 117 25387 1 . ALA 118 118 25387 1 . LEU 119 119 25387 1 . VAL 120 120 25387 1 . LYS 121 121 25387 1 . MET 122 122 25387 1 . GLY 123 123 25387 1 . ALA 124 124 25387 1 . ASN 125 125 25387 1 . GLY 126 126 25387 1 . ALA 127 127 25387 1 . ILE 128 128 25387 1 . ASP 129 129 25387 1 . THR 130 130 25387 1 . THR 131 131 25387 1 . THR 132 132 25387 1 . ALA 133 133 25387 1 . THR 134 134 25387 1 . ALA 135 135 25387 1 . PRO 136 136 25387 1 . VAL 137 137 25387 1 . GLU 138 138 25387 1 . VAL 139 139 25387 1 . ILE 140 140 25387 1 . VAL 141 141 25387 1 . LEU 142 142 25387 1 . THR 143 143 25387 1 . ASN 144 144 25387 1 . ALA 145 145 25387 1 . GLY 146 146 25387 1 . LEU 147 147 25387 1 . MET 148 148 25387 1 . GLY 149 149 25387 1 . ASP 150 150 25387 1 . VAL 151 151 25387 1 . SER 152 152 25387 1 . ILE 153 153 25387 1 . SER 154 154 25387 1 . GLY 155 155 25387 1 . THR 156 156 25387 1 . LYS 157 157 25387 1 . VAL 158 158 25387 1 . THR 159 159 25387 1 . LYS 160 160 25387 1 . LEU 161 161 25387 1 . LYS 162 162 25387 1 . ILE 163 163 25387 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 25387 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 28450 organism . 'Bulkholderia Pseudomallei' b-proteobacteria . . Bacteria . Bulkholderia Pseudomallei . . . . . . . . . . . . . 25387 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 25387 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGEX-4T-1 . . . 25387 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25387 _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 BPSL1445 'natural abundance' . . 1 $entity . . 0.7 . . mM . . . . 25387 1 2 BPSL1445 '[U-98% 15N]' . . 1 $entity . . 0.7 . . mM . . . . 25387 1 3 BPSL1445 '[U-98% 13C; U-98% 15N]' . . 1 $entity . . 0.7 . . mM . . . . 25387 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25387 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25387 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25387 _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 BPSL1445 'natural abundance' . . 1 $entity . . 0.7 . . mM . . . . 25387 2 2 BPSL1445 '[U-98% 15N]' . . 1 $entity . . 0.7 . . mM . . . . 25387 2 3 BPSL1445 '[U-98% 13C; U-98% 15N]' . . 1 $entity . . 0.7 . . mM . . . . 25387 2 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 25387 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 25387 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 25387 1 pH 6.3 . pH 25387 1 pressure 1 . atm 25387 1 temperature 295 . K 25387 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25387 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25387 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25387 1 processing 25387 1 stop_ save_ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 25387 _Software.ID 2 _Software.Name CCPNMR _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25387 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25387 2 'data analysis' 25387 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 25387 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25387 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 25387 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 25387 _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-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25387 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25387 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25387 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25387 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25387 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25387 1 7 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25387 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25387 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25387 1 10 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25387 1 11 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25387 1 12 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25387 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25387 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 25387 _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 . . . . . . . . . 25387 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25387 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25387 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 25387 _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 _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-1H TOCSY' . . . 25387 1 2 '2D 1H-1H NOESY' . . . 25387 1 3 '2D 1H-1H TOCSY' . . . 25387 1 4 '2D 1H-1H NOESY' . . . 25387 1 7 '3D HNCA' . . . 25387 1 8 '3D HNCACB' . . . 25387 1 9 '3D CBCA(CO)NH' . . . 25387 1 10 '3D C(CO)NH' . . . 25387 1 11 '3D H(CCO)NH' . . . 25387 1 12 '3D HNCO' . . . 25387 1 13 '3D HCCH-TOCSY' . . . 25387 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 4.512 0.002 . 1 . . . . 2 Ser HA . 25387 1 2 . 1 1 2 2 SER HB2 H 1 3.904 0.002 . 1 . . . . 2 Ser HB2 . 25387 1 3 . 1 1 2 2 SER HB3 H 1 3.904 0.002 . 1 . . . . 2 Ser HB3 . 25387 1 4 . 1 1 2 2 SER C C 13 174.759 0.000 . 1 . . . . 2 Ser C . 25387 1 5 . 1 1 2 2 SER CA C 13 58.576 0.102 . 1 . . . . 2 Ser CA . 25387 1 6 . 1 1 2 2 SER CB C 13 63.870 0.050 . 1 . . . . 2 Ser CB . 25387 1 7 . 1 1 3 3 ALA H H 1 8.663 0.004 . 1 . . . . 3 Ala H . 25387 1 8 . 1 1 3 3 ALA HA H 1 4.448 0.006 . 1 . . . . 3 Ala HA . 25387 1 9 . 1 1 3 3 ALA HB1 H 1 1.431 0.003 . 1 . . . . 3 Ala HB1 . 25387 1 10 . 1 1 3 3 ALA HB2 H 1 1.431 0.003 . 1 . . . . 3 Ala HB2 . 25387 1 11 . 1 1 3 3 ALA HB3 H 1 1.431 0.003 . 1 . . . . 3 Ala HB3 . 25387 1 12 . 1 1 3 3 ALA C C 13 178.472 0.000 . 1 . . . . 3 Ala C . 25387 1 13 . 1 1 3 3 ALA CA C 13 53.050 0.048 . 1 . . . . 3 Ala CA . 25387 1 14 . 1 1 3 3 ALA CB C 13 19.294 0.053 . 1 . . . . 3 Ala CB . 25387 1 15 . 1 1 3 3 ALA N N 15 127.466 0.018 . 1 . . . . 3 Ala N . 25387 1 16 . 1 1 4 4 THR H H 1 8.188 0.002 . 1 . . . . 4 Thr H . 25387 1 17 . 1 1 4 4 THR HA H 1 4.294 0.001 . 1 . . . . 4 Thr HA . 25387 1 18 . 1 1 4 4 THR HB H 1 4.350 0.002 . 1 . . . . 4 Thr HB . 25387 1 19 . 1 1 4 4 THR HG21 H 1 1.262 0.005 . 1 . . . . 4 Thr HG21 . 25387 1 20 . 1 1 4 4 THR HG22 H 1 1.262 0.005 . 1 . . . . 4 Thr HG22 . 25387 1 21 . 1 1 4 4 THR HG23 H 1 1.262 0.005 . 1 . . . . 4 Thr HG23 . 25387 1 22 . 1 1 4 4 THR C C 13 175.634 0.000 . 1 . . . . 4 Thr C . 25387 1 23 . 1 1 4 4 THR CA C 13 62.221 0.075 . 1 . . . . 4 Thr CA . 25387 1 24 . 1 1 4 4 THR CB C 13 70.148 0.132 . 1 . . . . 4 Thr CB . 25387 1 25 . 1 1 4 4 THR CG2 C 13 21.822 0.116 . 1 . . . . 4 Thr CG2 . 25387 1 26 . 1 1 4 4 THR N N 15 113.639 0.031 . 1 . . . . 4 Thr N . 25387 1 27 . 1 1 5 5 ASN H H 1 8.812 0.003 . 1 . . . . 5 Asn H . 25387 1 28 . 1 1 5 5 ASN HA H 1 4.570 0.006 . 1 . . . . 5 Asn HA . 25387 1 29 . 1 1 5 5 ASN HB2 H 1 2.810 0.004 . 2 . . . . 5 Asn HB2 . 25387 1 30 . 1 1 5 5 ASN HB3 H 1 3.168 0.007 . 2 . . . . 5 Asn HB3 . 25387 1 31 . 1 1 5 5 ASN HD21 H 1 7.080 0.000 . 1 . . . . 5 Asn HD21 . 25387 1 32 . 1 1 5 5 ASN HD22 H 1 7.741 0.000 . 1 . . . . 5 Asn HD22 . 25387 1 33 . 1 1 5 5 ASN C C 13 176.430 0.000 . 1 . . . . 5 Asn C . 25387 1 34 . 1 1 5 5 ASN CA C 13 54.814 0.088 . 1 . . . . 5 Asn CA . 25387 1 35 . 1 1 5 5 ASN CB C 13 37.432 0.039 . 1 . . . . 5 Asn CB . 25387 1 36 . 1 1 5 5 ASN N N 15 122.550 0.031 . 1 . . . . 5 Asn N . 25387 1 37 . 1 1 5 5 ASN ND2 N 15 112.585 0.001 . 1 . . . . 5 Asn ND2 . 25387 1 38 . 1 1 6 6 ALA H H 1 8.348 0.002 . 1 . . . . 6 Ala H . 25387 1 39 . 1 1 6 6 ALA HA H 1 3.992 0.003 . 1 . . . . 6 Ala HA . 25387 1 40 . 1 1 6 6 ALA HB1 H 1 1.463 0.005 . 1 . . . . 6 Ala HB1 . 25387 1 41 . 1 1 6 6 ALA HB2 H 1 1.463 0.005 . 1 . . . . 6 Ala HB2 . 25387 1 42 . 1 1 6 6 ALA HB3 H 1 1.463 0.005 . 1 . . . . 6 Ala HB3 . 25387 1 43 . 1 1 6 6 ALA C C 13 180.052 0.000 . 1 . . . . 6 Ala C . 25387 1 44 . 1 1 6 6 ALA CA C 13 55.419 0.056 . 1 . . . . 6 Ala CA . 25387 1 45 . 1 1 6 6 ALA CB C 13 18.332 0.081 . 1 . . . . 6 Ala CB . 25387 1 46 . 1 1 6 6 ALA N N 15 123.902 0.037 . 1 . . . . 6 Ala N . 25387 1 47 . 1 1 7 7 SER H H 1 8.227 0.002 . 1 . . . . 7 Ser H . 25387 1 48 . 1 1 7 7 SER HA H 1 4.257 0.002 . 1 . . . . 7 Ser HA . 25387 1 49 . 1 1 7 7 SER HB2 H 1 3.980 0.018 . 2 . . . . 7 Ser HB2 . 25387 1 50 . 1 1 7 7 SER HB3 H 1 3.997 0.006 . 2 . . . . 7 Ser HB3 . 25387 1 51 . 1 1 7 7 SER C C 13 177.095 0.000 . 1 . . . . 7 Ser C . 25387 1 52 . 1 1 7 7 SER CA C 13 61.243 0.049 . 1 . . . . 7 Ser CA . 25387 1 53 . 1 1 7 7 SER CB C 13 62.644 0.047 . 1 . . . . 7 Ser CB . 25387 1 54 . 1 1 7 7 SER N N 15 115.247 0.056 . 1 . . . . 7 Ser N . 25387 1 55 . 1 1 8 8 LYS H H 1 7.938 0.003 . 1 . . . . 8 Lys H . 25387 1 56 . 1 1 8 8 LYS HA H 1 4.066 0.005 . 1 . . . . 8 Lys HA . 25387 1 57 . 1 1 8 8 LYS HB2 H 1 1.714 0.004 . 2 . . . . 8 Lys HB2 . 25387 1 58 . 1 1 8 8 LYS HB3 H 1 1.876 0.005 . 2 . . . . 8 Lys HB3 . 25387 1 59 . 1 1 8 8 LYS HG2 H 1 1.586 0.005 . 2 . . . . 8 Lys HG2 . 25387 1 60 . 1 1 8 8 LYS HG3 H 1 1.331 0.005 . 2 . . . . 8 Lys HG3 . 25387 1 61 . 1 1 8 8 LYS HD2 H 1 1.676 0.004 . 1 . . . . 8 Lys HD2 . 25387 1 62 . 1 1 8 8 LYS HD3 H 1 1.676 0.004 . 1 . . . . 8 Lys HD3 . 25387 1 63 . 1 1 8 8 LYS HE2 H 1 2.908 0.004 . 1 . . . . 8 Lys HE2 . 25387 1 64 . 1 1 8 8 LYS HE3 H 1 2.908 0.004 . 1 . . . . 8 Lys HE3 . 25387 1 65 . 1 1 8 8 LYS C C 13 178.670 0.000 . 1 . . . . 8 Lys C . 25387 1 66 . 1 1 8 8 LYS CA C 13 59.702 0.086 . 1 . . . . 8 Lys CA . 25387 1 67 . 1 1 8 8 LYS CB C 13 32.845 0.066 . 1 . . . . 8 Lys CB . 25387 1 68 . 1 1 8 8 LYS CG C 13 25.660 0.051 . 1 . . . . 8 Lys CG . 25387 1 69 . 1 1 8 8 LYS CD C 13 29.926 0.040 . 1 . . . . 8 Lys CD . 25387 1 70 . 1 1 8 8 LYS CE C 13 41.947 0.125 . 1 . . . . 8 Lys CE . 25387 1 71 . 1 1 8 8 LYS N N 15 125.027 0.046 . 1 . . . . 8 Lys N . 25387 1 72 . 1 1 9 9 ARG H H 1 8.019 0.003 . 1 . . . . 9 Arg H . 25387 1 73 . 1 1 9 9 ARG HA H 1 3.311 0.009 . 1 . . . . 9 Arg HA . 25387 1 74 . 1 1 9 9 ARG HB2 H 1 1.858 0.001 . 2 . . . . 9 Arg HB2 . 25387 1 75 . 1 1 9 9 ARG HB3 H 1 1.727 0.006 . 2 . . . . 9 Arg HB3 . 25387 1 76 . 1 1 9 9 ARG HG2 H 1 1.612 0.002 . 2 . . . . 9 Arg HG2 . 25387 1 77 . 1 1 9 9 ARG HG3 H 1 0.298 0.007 . 2 . . . . 9 Arg HG3 . 25387 1 78 . 1 1 9 9 ARG HD2 H 1 3.234 0.005 . 2 . . . . 9 Arg HD2 . 25387 1 79 . 1 1 9 9 ARG HD3 H 1 2.992 0.011 . 2 . . . . 9 Arg HD3 . 25387 1 80 . 1 1 9 9 ARG HE H 1 7.787 0.000 . 1 . . . . 9 Arg HE . 25387 1 81 . 1 1 9 9 ARG C C 13 177.682 0.000 . 1 . . . . 9 Arg C . 25387 1 82 . 1 1 9 9 ARG CA C 13 60.503 0.052 . 1 . . . . 9 Arg CA . 25387 1 83 . 1 1 9 9 ARG CB C 13 30.982 0.165 . 1 . . . . 9 Arg CB . 25387 1 84 . 1 1 9 9 ARG CG C 13 28.267 0.137 . 1 . . . . 9 Arg CG . 25387 1 85 . 1 1 9 9 ARG CD C 13 43.969 0.099 . 1 . . . . 9 Arg CD . 25387 1 86 . 1 1 9 9 ARG N N 15 118.838 0.050 . 1 . . . . 9 Arg N . 25387 1 87 . 1 1 9 9 ARG NE N 15 85.631 0.000 . 1 . . . . 9 Arg NE . 25387 1 88 . 1 1 10 10 GLN H H 1 7.864 0.004 . 1 . . . . 10 Gln H . 25387 1 89 . 1 1 10 10 GLN HA H 1 4.211 0.004 . 1 . . . . 10 Gln HA . 25387 1 90 . 1 1 10 10 GLN HB2 H 1 2.161 0.004 . 2 . . . . 10 Gln HB2 . 25387 1 91 . 1 1 10 10 GLN HB3 H 1 2.163 0.008 . 2 . . . . 10 Gln HB3 . 25387 1 92 . 1 1 10 10 GLN HG2 H 1 2.463 0.005 . 2 . . . . 10 Gln HG2 . 25387 1 93 . 1 1 10 10 GLN HG3 H 1 2.583 0.006 . 2 . . . . 10 Gln HG3 . 25387 1 94 . 1 1 10 10 GLN HE21 H 1 6.854 0.000 . 1 . . . . 10 Gln HE21 . 25387 1 95 . 1 1 10 10 GLN HE22 H 1 7.471 0.000 . 1 . . . . 10 Gln HE22 . 25387 1 96 . 1 1 10 10 GLN C C 13 179.173 0.000 . 1 . . . . 10 Gln C . 25387 1 97 . 1 1 10 10 GLN CA C 13 59.001 0.071 . 1 . . . . 10 Gln CA . 25387 1 98 . 1 1 10 10 GLN CB C 13 28.421 0.053 . 1 . . . . 10 Gln CB . 25387 1 99 . 1 1 10 10 GLN CG C 13 34.013 0.080 . 1 . . . . 10 Gln CG . 25387 1 100 . 1 1 10 10 GLN N N 15 116.833 0.045 . 1 . . . . 10 Gln N . 25387 1 101 . 1 1 10 10 GLN NE2 N 15 111.973 0.002 . 1 . . . . 10 Gln NE2 . 25387 1 102 . 1 1 11 11 ALA H H 1 7.948 0.003 . 1 . . . . 11 Ala H . 25387 1 103 . 1 1 11 11 ALA HA H 1 4.234 0.002 . 1 . . . . 11 Ala HA . 25387 1 104 . 1 1 11 11 ALA HB1 H 1 1.551 0.003 . 1 . . . . 11 Ala HB1 . 25387 1 105 . 1 1 11 11 ALA HB2 H 1 1.551 0.003 . 1 . . . . 11 Ala HB2 . 25387 1 106 . 1 1 11 11 ALA HB3 H 1 1.551 0.003 . 1 . . . . 11 Ala HB3 . 25387 1 107 . 1 1 11 11 ALA C C 13 181.432 0.000 . 1 . . . . 11 Ala C . 25387 1 108 . 1 1 11 11 ALA CA C 13 55.085 0.066 . 1 . . . . 11 Ala CA . 25387 1 109 . 1 1 11 11 ALA CB C 13 18.312 0.089 . 1 . . . . 11 Ala CB . 25387 1 110 . 1 1 11 11 ALA N N 15 122.831 0.027 . 1 . . . . 11 Ala N . 25387 1 111 . 1 1 12 12 ILE H H 1 8.151 0.002 . 1 . . . . 12 Ile H . 25387 1 112 . 1 1 12 12 ILE HA H 1 3.765 0.003 . 1 . . . . 12 Ile HA . 25387 1 113 . 1 1 12 12 ILE HB H 1 2.021 0.005 . 1 . . . . 12 Ile HB . 25387 1 114 . 1 1 12 12 ILE HG12 H 1 0.930 0.003 . 2 . . . . 12 Ile HG12 . 25387 1 115 . 1 1 12 12 ILE HG13 H 1 0.929 0.003 . 2 . . . . 12 Ile HG13 . 25387 1 116 . 1 1 12 12 ILE HG21 H 1 1.003 0.005 . 1 . . . . 12 Ile HG21 . 25387 1 117 . 1 1 12 12 ILE HG22 H 1 1.003 0.005 . 1 . . . . 12 Ile HG22 . 25387 1 118 . 1 1 12 12 ILE HG23 H 1 1.003 0.005 . 1 . . . . 12 Ile HG23 . 25387 1 119 . 1 1 12 12 ILE HD11 H 1 0.855 0.007 . 1 . . . . 12 Ile HD11 . 25387 1 120 . 1 1 12 12 ILE HD12 H 1 0.855 0.007 . 1 . . . . 12 Ile HD12 . 25387 1 121 . 1 1 12 12 ILE HD13 H 1 0.855 0.007 . 1 . . . . 12 Ile HD13 . 25387 1 122 . 1 1 12 12 ILE C C 13 178.397 0.000 . 1 . . . . 12 Ile C . 25387 1 123 . 1 1 12 12 ILE CA C 13 65.922 0.062 . 1 . . . . 12 Ile CA . 25387 1 124 . 1 1 12 12 ILE CB C 13 38.408 0.058 . 1 . . . . 12 Ile CB . 25387 1 125 . 1 1 12 12 ILE CG1 C 13 29.568 0.016 . 1 . . . . 12 Ile CG1 . 25387 1 126 . 1 1 12 12 ILE CG2 C 13 17.344 0.061 . 1 . . . . 12 Ile CG2 . 25387 1 127 . 1 1 12 12 ILE CD1 C 13 15.316 0.093 . 1 . . . . 12 Ile CD1 . 25387 1 128 . 1 1 12 12 ILE N N 15 120.919 0.047 . 1 . . . . 12 Ile N . 25387 1 129 . 1 1 13 13 ASP H H 1 8.997 0.002 . 1 . . . . 13 Asp H . 25387 1 130 . 1 1 13 13 ASP HA H 1 4.358 0.004 . 1 . . . . 13 Asp HA . 25387 1 131 . 1 1 13 13 ASP HB2 H 1 2.750 0.004 . 1 . . . . 13 Asp HB2 . 25387 1 132 . 1 1 13 13 ASP HB3 H 1 2.750 0.004 . 1 . . . . 13 Asp HB3 . 25387 1 133 . 1 1 13 13 ASP C C 13 178.184 0.000 . 1 . . . . 13 Asp C . 25387 1 134 . 1 1 13 13 ASP CA C 13 59.245 0.047 . 1 . . . . 13 Asp CA . 25387 1 135 . 1 1 13 13 ASP CB C 13 40.415 0.076 . 1 . . . . 13 Asp CB . 25387 1 136 . 1 1 13 13 ASP N N 15 120.752 0.028 . 1 . . . . 13 Asp N . 25387 1 137 . 1 1 14 14 ALA H H 1 8.358 0.002 . 1 . . . . 14 Ala H . 25387 1 138 . 1 1 14 14 ALA HA H 1 4.292 0.006 . 1 . . . . 14 Ala HA . 25387 1 139 . 1 1 14 14 ALA HB1 H 1 1.567 0.003 . 1 . . . . 14 Ala HB1 . 25387 1 140 . 1 1 14 14 ALA HB2 H 1 1.567 0.003 . 1 . . . . 14 Ala HB2 . 25387 1 141 . 1 1 14 14 ALA HB3 H 1 1.567 0.003 . 1 . . . . 14 Ala HB3 . 25387 1 142 . 1 1 14 14 ALA C C 13 181.425 0.000 . 1 . . . . 14 Ala C . 25387 1 143 . 1 1 14 14 ALA CA C 13 55.280 0.077 . 1 . . . . 14 Ala CA . 25387 1 144 . 1 1 14 14 ALA CB C 13 18.084 0.064 . 1 . . . . 14 Ala CB . 25387 1 145 . 1 1 14 14 ALA N N 15 121.574 0.031 . 1 . . . . 14 Ala N . 25387 1 146 . 1 1 15 15 SER H H 1 7.970 0.002 . 1 . . . . 15 Ser H . 25387 1 147 . 1 1 15 15 SER HA H 1 4.467 0.001 . 1 . . . . 15 Ser HA . 25387 1 148 . 1 1 15 15 SER HB2 H 1 4.132 0.000 . 2 . . . . 15 Ser HB2 . 25387 1 149 . 1 1 15 15 SER HB3 H 1 4.092 0.033 . 2 . . . . 15 Ser HB3 . 25387 1 150 . 1 1 15 15 SER C C 13 178.080 0.000 . 1 . . . . 15 Ser C . 25387 1 151 . 1 1 15 15 SER CA C 13 61.747 0.066 . 1 . . . . 15 Ser CA . 25387 1 152 . 1 1 15 15 SER CB C 13 63.034 0.068 . 1 . . . . 15 Ser CB . 25387 1 153 . 1 1 15 15 SER N N 15 116.961 0.034 . 1 . . . . 15 Ser N . 25387 1 154 . 1 1 16 16 VAL H H 1 9.173 0.002 . 1 . . . . 16 Val H . 25387 1 155 . 1 1 16 16 VAL HA H 1 3.466 0.006 . 1 . . . . 16 Val HA . 25387 1 156 . 1 1 16 16 VAL HB H 1 2.454 0.005 . 1 . . . . 16 Val HB . 25387 1 157 . 1 1 16 16 VAL HG11 H 1 1.100 0.005 . 2 . . . . 16 Val HG11 . 25387 1 158 . 1 1 16 16 VAL HG12 H 1 1.100 0.005 . 2 . . . . 16 Val HG12 . 25387 1 159 . 1 1 16 16 VAL HG13 H 1 1.100 0.005 . 2 . . . . 16 Val HG13 . 25387 1 160 . 1 1 16 16 VAL HG21 H 1 0.825 0.005 . 2 . . . . 16 Val HG21 . 25387 1 161 . 1 1 16 16 VAL HG22 H 1 0.825 0.005 . 2 . . . . 16 Val HG22 . 25387 1 162 . 1 1 16 16 VAL HG23 H 1 0.825 0.005 . 2 . . . . 16 Val HG23 . 25387 1 163 . 1 1 16 16 VAL C C 13 177.346 0.000 . 1 . . . . 16 Val C . 25387 1 164 . 1 1 16 16 VAL CA C 13 67.899 0.052 . 1 . . . . 16 Val CA . 25387 1 165 . 1 1 16 16 VAL CB C 13 31.564 0.044 . 1 . . . . 16 Val CB . 25387 1 166 . 1 1 16 16 VAL CG1 C 13 23.835 0.029 . 2 . . . . 16 Val CG1 . 25387 1 167 . 1 1 16 16 VAL CG2 C 13 20.031 0.032 . 2 . . . . 16 Val CG2 . 25387 1 168 . 1 1 16 16 VAL N N 15 128.749 0.028 . 1 . . . . 16 Val N . 25387 1 169 . 1 1 17 17 ASP H H 1 8.536 0.003 . 1 . . . . 17 Asp H . 25387 1 170 . 1 1 17 17 ASP HA H 1 4.342 0.008 . 1 . . . . 17 Asp HA . 25387 1 171 . 1 1 17 17 ASP HB2 H 1 2.936 0.002 . 2 . . . . 17 Asp HB2 . 25387 1 172 . 1 1 17 17 ASP HB3 H 1 2.739 0.006 . 2 . . . . 17 Asp HB3 . 25387 1 173 . 1 1 17 17 ASP C C 13 179.327 0.000 . 1 . . . . 17 Asp C . 25387 1 174 . 1 1 17 17 ASP CA C 13 58.187 0.048 . 1 . . . . 17 Asp CA . 25387 1 175 . 1 1 17 17 ASP CB C 13 39.990 0.100 . 1 . . . . 17 Asp CB . 25387 1 176 . 1 1 17 17 ASP N N 15 121.977 0.033 . 1 . . . . 17 Asp N . 25387 1 177 . 1 1 18 18 ALA H H 1 7.881 0.004 . 1 . . . . 18 Ala H . 25387 1 178 . 1 1 18 18 ALA HA H 1 4.180 0.001 . 1 . . . . 18 Ala HA . 25387 1 179 . 1 1 18 18 ALA HB1 H 1 1.567 0.004 . 1 . . . . 18 Ala HB1 . 25387 1 180 . 1 1 18 18 ALA HB2 H 1 1.567 0.004 . 1 . . . . 18 Ala HB2 . 25387 1 181 . 1 1 18 18 ALA HB3 H 1 1.567 0.004 . 1 . . . . 18 Ala HB3 . 25387 1 182 . 1 1 18 18 ALA C C 13 180.676 0.000 . 1 . . . . 18 Ala C . 25387 1 183 . 1 1 18 18 ALA CA C 13 55.067 0.068 . 1 . . . . 18 Ala CA . 25387 1 184 . 1 1 18 18 ALA CB C 13 18.166 0.083 . 1 . . . . 18 Ala CB . 25387 1 185 . 1 1 18 18 ALA N N 15 122.110 0.036 . 1 . . . . 18 Ala N . 25387 1 186 . 1 1 19 19 THR H H 1 8.156 0.002 . 1 . . . . 19 Thr H . 25387 1 187 . 1 1 19 19 THR HA H 1 3.790 0.007 . 1 . . . . 19 Thr HA . 25387 1 188 . 1 1 19 19 THR HB H 1 4.177 0.002 . 1 . . . . 19 Thr HB . 25387 1 189 . 1 1 19 19 THR HG21 H 1 0.867 0.004 . 1 . . . . 19 Thr HG21 . 25387 1 190 . 1 1 19 19 THR HG22 H 1 0.867 0.004 . 1 . . . . 19 Thr HG22 . 25387 1 191 . 1 1 19 19 THR HG23 H 1 0.867 0.004 . 1 . . . . 19 Thr HG23 . 25387 1 192 . 1 1 19 19 THR C C 13 175.577 0.000 . 1 . . . . 19 Thr C . 25387 1 193 . 1 1 19 19 THR CA C 13 67.594 0.057 . 1 . . . . 19 Thr CA . 25387 1 194 . 1 1 19 19 THR CB C 13 68.508 0.100 . 1 . . . . 19 Thr CB . 25387 1 195 . 1 1 19 19 THR CG2 C 13 20.637 0.078 . 1 . . . . 19 Thr CG2 . 25387 1 196 . 1 1 19 19 THR N N 15 118.670 0.027 . 1 . . . . 19 Thr N . 25387 1 197 . 1 1 20 20 LEU H H 1 8.300 0.002 . 1 . . . . 20 Leu H . 25387 1 198 . 1 1 20 20 LEU HA H 1 3.532 0.005 . 1 . . . . 20 Leu HA . 25387 1 199 . 1 1 20 20 LEU HB2 H 1 1.767 0.013 . 2 . . . . 20 Leu HB2 . 25387 1 200 . 1 1 20 20 LEU HB3 H 1 1.021 0.011 . 2 . . . . 20 Leu HB3 . 25387 1 201 . 1 1 20 20 LEU HG H 1 1.574 0.002 . 1 . . . . 20 Leu HG . 25387 1 202 . 1 1 20 20 LEU HD11 H 1 0.811 0.007 . 2 . . . . 20 Leu HD11 . 25387 1 203 . 1 1 20 20 LEU HD12 H 1 0.811 0.007 . 2 . . . . 20 Leu HD12 . 25387 1 204 . 1 1 20 20 LEU HD13 H 1 0.811 0.007 . 2 . . . . 20 Leu HD13 . 25387 1 205 . 1 1 20 20 LEU HD21 H 1 0.648 0.005 . 2 . . . . 20 Leu HD21 . 25387 1 206 . 1 1 20 20 LEU HD22 H 1 0.648 0.005 . 2 . . . . 20 Leu HD22 . 25387 1 207 . 1 1 20 20 LEU HD23 H 1 0.648 0.005 . 2 . . . . 20 Leu HD23 . 25387 1 208 . 1 1 20 20 LEU C C 13 176.545 0.000 . 1 . . . . 20 Leu C . 25387 1 209 . 1 1 20 20 LEU CA C 13 57.955 0.041 . 1 . . . . 20 Leu CA . 25387 1 210 . 1 1 20 20 LEU CB C 13 40.490 0.061 . 1 . . . . 20 Leu CB . 25387 1 211 . 1 1 20 20 LEU CG C 13 27.201 0.043 . 1 . . . . 20 Leu CG . 25387 1 212 . 1 1 20 20 LEU CD1 C 13 25.403 0.090 . 2 . . . . 20 Leu CD1 . 25387 1 213 . 1 1 20 20 LEU CD2 C 13 21.069 0.038 . 2 . . . . 20 Leu CD2 . 25387 1 214 . 1 1 20 20 LEU N N 15 122.106 0.040 . 1 . . . . 20 Leu N . 25387 1 215 . 1 1 21 21 SER H H 1 7.736 0.003 . 1 . . . . 21 Ser H . 25387 1 216 . 1 1 21 21 SER HA H 1 4.017 0.002 . 1 . . . . 21 Ser HA . 25387 1 217 . 1 1 21 21 SER HB2 H 1 3.924 0.004 . 1 . . . . 21 Ser HB2 . 25387 1 218 . 1 1 21 21 SER HB3 H 1 3.924 0.004 . 1 . . . . 21 Ser HB3 . 25387 1 219 . 1 1 21 21 SER C C 13 177.559 0.000 . 1 . . . . 21 Ser C . 25387 1 220 . 1 1 21 21 SER CA C 13 62.035 0.049 . 1 . . . . 21 Ser CA . 25387 1 221 . 1 1 21 21 SER CB C 13 62.663 0.084 . 1 . . . . 21 Ser CB . 25387 1 222 . 1 1 21 21 SER N N 15 111.526 0.041 . 1 . . . . 21 Ser N . 25387 1 223 . 1 1 22 22 ARG H H 1 7.776 0.002 . 1 . . . . 22 Arg H . 25387 1 224 . 1 1 22 22 ARG HA H 1 4.109 0.005 . 1 . . . . 22 Arg HA . 25387 1 225 . 1 1 22 22 ARG HB2 H 1 1.940 0.002 . 2 . . . . 22 Arg HB2 . 25387 1 226 . 1 1 22 22 ARG HB3 H 1 1.884 0.045 . 2 . . . . 22 Arg HB3 . 25387 1 227 . 1 1 22 22 ARG HG2 H 1 1.627 0.005 . 2 . . . . 22 Arg HG2 . 25387 1 228 . 1 1 22 22 ARG HG3 H 1 1.371 0.007 . 2 . . . . 22 Arg HG3 . 25387 1 229 . 1 1 22 22 ARG HD2 H 1 3.362 0.004 . 2 . . . . 22 Arg HD2 . 25387 1 230 . 1 1 22 22 ARG HD3 H 1 3.096 0.003 . 2 . . . . 22 Arg HD3 . 25387 1 231 . 1 1 22 22 ARG HE H 1 7.482 0.000 . 1 . . . . 22 Arg HE . 25387 1 232 . 1 1 22 22 ARG C C 13 179.108 0.000 . 1 . . . . 22 Arg C . 25387 1 233 . 1 1 22 22 ARG CA C 13 59.341 0.038 . 1 . . . . 22 Arg CA . 25387 1 234 . 1 1 22 22 ARG CB C 13 30.424 0.102 . 1 . . . . 22 Arg CB . 25387 1 235 . 1 1 22 22 ARG CG C 13 27.919 0.047 . 1 . . . . 22 Arg CG . 25387 1 236 . 1 1 22 22 ARG CD C 13 43.826 0.068 . 1 . . . . 22 Arg CD . 25387 1 237 . 1 1 22 22 ARG N N 15 122.757 0.025 . 1 . . . . 22 Arg N . 25387 1 238 . 1 1 22 22 ARG NE N 15 84.294 0.000 . 1 . . . . 22 Arg NE . 25387 1 239 . 1 1 23 23 LEU H H 1 8.570 0.003 . 1 . . . . 23 Leu H . 25387 1 240 . 1 1 23 23 LEU HA H 1 3.795 0.005 . 1 . . . . 23 Leu HA . 25387 1 241 . 1 1 23 23 LEU HB2 H 1 2.116 0.006 . 2 . . . . 23 Leu HB2 . 25387 1 242 . 1 1 23 23 LEU HB3 H 1 1.227 0.007 . 2 . . . . 23 Leu HB3 . 25387 1 243 . 1 1 23 23 LEU HG H 1 0.777 0.010 . 1 . . . . 23 Leu HG . 25387 1 244 . 1 1 23 23 LEU HD11 H 1 0.889 0.009 . 2 . . . . 23 Leu HD11 . 25387 1 245 . 1 1 23 23 LEU HD12 H 1 0.889 0.009 . 2 . . . . 23 Leu HD12 . 25387 1 246 . 1 1 23 23 LEU HD13 H 1 0.889 0.009 . 2 . . . . 23 Leu HD13 . 25387 1 247 . 1 1 23 23 LEU HD21 H 1 1.962 0.007 . 2 . . . . 23 Leu HD21 . 25387 1 248 . 1 1 23 23 LEU HD22 H 1 1.962 0.007 . 2 . . . . 23 Leu HD22 . 25387 1 249 . 1 1 23 23 LEU HD23 H 1 1.962 0.007 . 2 . . . . 23 Leu HD23 . 25387 1 250 . 1 1 23 23 LEU C C 13 177.590 0.000 . 1 . . . . 23 Leu C . 25387 1 251 . 1 1 23 23 LEU CA C 13 58.895 0.034 . 1 . . . . 23 Leu CA . 25387 1 252 . 1 1 23 23 LEU CB C 13 41.424 0.032 . 1 . . . . 23 Leu CB . 25387 1 253 . 1 1 23 23 LEU CG C 13 26.446 0.074 . 1 . . . . 23 Leu CG . 25387 1 254 . 1 1 23 23 LEU CD1 C 13 23.876 0.103 . 2 . . . . 23 Leu CD1 . 25387 1 255 . 1 1 23 23 LEU CD2 C 13 25.965 0.091 . 2 . . . . 23 Leu CD2 . 25387 1 256 . 1 1 23 23 LEU N N 15 125.027 0.036 . 1 . . . . 23 Leu N . 25387 1 257 . 1 1 24 24 TYR H H 1 8.314 0.002 . 1 . . . . 24 Tyr H . 25387 1 258 . 1 1 24 24 TYR HA H 1 4.887 0.004 . 1 . . . . 24 Tyr HA . 25387 1 259 . 1 1 24 24 TYR HB2 H 1 3.308 0.007 . 2 . . . . 24 Tyr HB2 . 25387 1 260 . 1 1 24 24 TYR HB3 H 1 3.137 0.005 . 2 . . . . 24 Tyr HB3 . 25387 1 261 . 1 1 24 24 TYR HD1 H 1 7.069 0.008 . 3 . . . . 24 Tyr HD1 . 25387 1 262 . 1 1 24 24 TYR HD2 H 1 7.069 0.008 . 3 . . . . 24 Tyr HD2 . 25387 1 263 . 1 1 24 24 TYR HE1 H 1 6.636 0.017 . 3 . . . . 24 Tyr HE1 . 25387 1 264 . 1 1 24 24 TYR HE2 H 1 6.636 0.017 . 3 . . . . 24 Tyr HE2 . 25387 1 265 . 1 1 24 24 TYR C C 13 179.327 0.000 . 1 . . . . 24 Tyr C . 25387 1 266 . 1 1 24 24 TYR CA C 13 56.704 0.124 . 1 . . . . 24 Tyr CA . 25387 1 267 . 1 1 24 24 TYR CB C 13 36.914 0.088 . 1 . . . . 24 Tyr CB . 25387 1 268 . 1 1 24 24 TYR CD1 C 13 131.700 0.000 . 3 . . . . 24 Tyr CD1 . 25387 1 269 . 1 1 24 24 TYR CD2 C 13 131.700 0.000 . 3 . . . . 24 Tyr CD2 . 25387 1 270 . 1 1 24 24 TYR CE1 C 13 117.840 0.011 . 3 . . . . 24 Tyr CE1 . 25387 1 271 . 1 1 24 24 TYR CE2 C 13 117.840 0.011 . 3 . . . . 24 Tyr CE2 . 25387 1 272 . 1 1 24 24 TYR N N 15 116.671 0.063 . 1 . . . . 24 Tyr N . 25387 1 273 . 1 1 25 25 SER H H 1 7.835 0.003 . 1 . . . . 25 Ser H . 25387 1 274 . 1 1 25 25 SER HA H 1 4.416 0.005 . 1 . . . . 25 Ser HA . 25387 1 275 . 1 1 25 25 SER HB2 H 1 4.068 0.011 . 2 . . . . 25 Ser HB2 . 25387 1 276 . 1 1 25 25 SER HB3 H 1 4.017 0.017 . 2 . . . . 25 Ser HB3 . 25387 1 277 . 1 1 25 25 SER C C 13 175.714 0.000 . 1 . . . . 25 Ser C . 25387 1 278 . 1 1 25 25 SER CA C 13 60.280 0.094 . 1 . . . . 25 Ser CA . 25387 1 279 . 1 1 25 25 SER CB C 13 63.898 0.072 . 1 . . . . 25 Ser CB . 25387 1 280 . 1 1 25 25 SER N N 15 110.473 0.026 . 1 . . . . 25 Ser N . 25387 1 281 . 1 1 26 26 THR H H 1 7.916 0.003 . 1 . . . . 26 Thr H . 25387 1 282 . 1 1 26 26 THR HA H 1 4.508 0.002 . 1 . . . . 26 Thr HA . 25387 1 283 . 1 1 26 26 THR HB H 1 4.175 0.004 . 1 . . . . 26 Thr HB . 25387 1 284 . 1 1 26 26 THR HG21 H 1 1.263 0.003 . 1 . . . . 26 Thr HG21 . 25387 1 285 . 1 1 26 26 THR HG22 H 1 1.263 0.003 . 1 . . . . 26 Thr HG22 . 25387 1 286 . 1 1 26 26 THR HG23 H 1 1.263 0.003 . 1 . . . . 26 Thr HG23 . 25387 1 287 . 1 1 26 26 THR C C 13 174.580 0.000 . 1 . . . . 26 Thr C . 25387 1 288 . 1 1 26 26 THR CA C 13 63.916 0.072 . 1 . . . . 26 Thr CA . 25387 1 289 . 1 1 26 26 THR CB C 13 70.930 0.048 . 1 . . . . 26 Thr CB . 25387 1 290 . 1 1 26 26 THR CG2 C 13 21.221 0.139 . 1 . . . . 26 Thr CG2 . 25387 1 291 . 1 1 26 26 THR N N 15 113.107 0.030 . 1 . . . . 26 Thr N . 25387 1 292 . 1 1 27 27 VAL H H 1 8.402 0.002 . 1 . . . . 27 Val H . 25387 1 293 . 1 1 27 27 VAL HA H 1 4.424 0.006 . 1 . . . . 27 Val HA . 25387 1 294 . 1 1 27 27 VAL HB H 1 2.187 0.003 . 1 . . . . 27 Val HB . 25387 1 295 . 1 1 27 27 VAL HG11 H 1 0.909 0.006 . 2 . . . . 27 Val HG11 . 25387 1 296 . 1 1 27 27 VAL HG12 H 1 0.909 0.006 . 2 . . . . 27 Val HG12 . 25387 1 297 . 1 1 27 27 VAL HG13 H 1 0.909 0.006 . 2 . . . . 27 Val HG13 . 25387 1 298 . 1 1 27 27 VAL HG21 H 1 0.909 0.006 . 2 . . . . 27 Val HG21 . 25387 1 299 . 1 1 27 27 VAL HG22 H 1 0.909 0.006 . 2 . . . . 27 Val HG22 . 25387 1 300 . 1 1 27 27 VAL HG23 H 1 0.909 0.006 . 2 . . . . 27 Val HG23 . 25387 1 301 . 1 1 27 27 VAL C C 13 175.719 0.000 . 1 . . . . 27 Val C . 25387 1 302 . 1 1 27 27 VAL CA C 13 61.207 0.053 . 1 . . . . 27 Val CA . 25387 1 303 . 1 1 27 27 VAL CB C 13 32.103 0.018 . 1 . . . . 27 Val CB . 25387 1 304 . 1 1 27 27 VAL CG1 C 13 22.611 0.047 . 2 . . . . 27 Val CG1 . 25387 1 305 . 1 1 27 27 VAL CG2 C 13 21.084 0.087 . 2 . . . . 27 Val CG2 . 25387 1 306 . 1 1 27 27 VAL N N 15 124.058 0.041 . 1 . . . . 27 Val N . 25387 1 307 . 1 1 28 28 ARG H H 1 9.250 0.004 . 1 . . . . 28 Arg H . 25387 1 308 . 1 1 28 28 ARG HA H 1 4.314 0.002 . 1 . . . . 28 Arg HA . 25387 1 309 . 1 1 28 28 ARG HB2 H 1 1.991 0.026 . 2 . . . . 28 Arg HB2 . 25387 1 310 . 1 1 28 28 ARG HB3 H 1 1.980 0.022 . 2 . . . . 28 Arg HB3 . 25387 1 311 . 1 1 28 28 ARG HG2 H 1 1.879 0.005 . 2 . . . . 28 Arg HG2 . 25387 1 312 . 1 1 28 28 ARG HG3 H 1 1.759 0.004 . 2 . . . . 28 Arg HG3 . 25387 1 313 . 1 1 28 28 ARG HD2 H 1 3.298 0.002 . 2 . . . . 28 Arg HD2 . 25387 1 314 . 1 1 28 28 ARG HD3 H 1 3.298 0.002 . 2 . . . . 28 Arg HD3 . 25387 1 315 . 1 1 28 28 ARG C C 13 176.608 0.000 . 1 . . . . 28 Arg C . 25387 1 316 . 1 1 28 28 ARG CA C 13 58.960 0.076 . 1 . . . . 28 Arg CA . 25387 1 317 . 1 1 28 28 ARG CB C 13 29.740 0.113 . 1 . . . . 28 Arg CB . 25387 1 318 . 1 1 28 28 ARG CG C 13 27.736 0.083 . 1 . . . . 28 Arg CG . 25387 1 319 . 1 1 28 28 ARG CD C 13 43.662 0.107 . 1 . . . . 28 Arg CD . 25387 1 320 . 1 1 28 28 ARG N N 15 132.811 0.042 . 1 . . . . 28 Arg N . 25387 1 321 . 1 1 29 29 GLY H H 1 9.056 0.002 . 1 . . . . 29 Gly H . 25387 1 322 . 1 1 29 29 GLY HA2 H 1 4.566 0.004 . 2 . . . . 29 Gly HA2 . 25387 1 323 . 1 1 29 29 GLY HA3 H 1 4.010 0.007 . 2 . . . . 29 Gly HA3 . 25387 1 324 . 1 1 29 29 GLY C C 13 175.871 0.000 . 1 . . . . 29 Gly C . 25387 1 325 . 1 1 29 29 GLY CA C 13 45.204 0.076 . 1 . . . . 29 Gly CA . 25387 1 326 . 1 1 29 29 GLY N N 15 113.713 0.035 . 1 . . . . 29 Gly N . 25387 1 327 . 1 1 30 30 SER H H 1 8.521 0.003 . 1 . . . . 30 Ser H . 25387 1 328 . 1 1 30 30 SER HA H 1 3.878 0.002 . 1 . . . . 30 Ser HA . 25387 1 329 . 1 1 30 30 SER HB2 H 1 3.743 0.011 . 1 . . . . 30 Ser HB2 . 25387 1 330 . 1 1 30 30 SER HB3 H 1 3.743 0.011 . 1 . . . . 30 Ser HB3 . 25387 1 331 . 1 1 30 30 SER HG H 1 5.350 0.000 . 1 . . . . 30 Ser HG . 25387 1 332 . 1 1 30 30 SER C C 13 176.458 0.000 . 1 . . . . 30 Ser C . 25387 1 333 . 1 1 30 30 SER CA C 13 62.476 0.077 . 1 . . . . 30 Ser CA . 25387 1 334 . 1 1 30 30 SER CB C 13 63.096 0.000 . 1 . . . . 30 Ser CB . 25387 1 335 . 1 1 30 30 SER N N 15 117.944 0.044 . 1 . . . . 30 Ser N . 25387 1 336 . 1 1 31 31 ARG H H 1 9.034 0.004 . 1 . . . . 31 Arg H . 25387 1 337 . 1 1 31 31 ARG HA H 1 3.840 0.002 . 1 . . . . 31 Arg HA . 25387 1 338 . 1 1 31 31 ARG HB2 H 1 2.867 0.004 . 2 . . . . 31 Arg HB2 . 25387 1 339 . 1 1 31 31 ARG HB3 H 1 2.676 0.003 . 2 . . . . 31 Arg HB3 . 25387 1 340 . 1 1 31 31 ARG C C 13 177.496 0.000 . 1 . . . . 31 Arg C . 25387 1 341 . 1 1 31 31 ARG CA C 13 60.506 0.077 . 1 . . . . 31 Arg CA . 25387 1 342 . 1 1 31 31 ARG CB C 13 28.638 0.121 . 1 . . . . 31 Arg CB . 25387 1 343 . 1 1 31 31 ARG N N 15 125.392 0.034 . 1 . . . . 31 Arg N . 25387 1 344 . 1 1 32 32 GLU H H 1 8.815 0.004 . 1 . . . . 32 Glu H . 25387 1 345 . 1 1 32 32 GLU HA H 1 3.855 0.001 . 1 . . . . 32 Glu HA . 25387 1 346 . 1 1 32 32 GLU HB2 H 1 2.126 0.005 . 2 . . . . 32 Glu HB2 . 25387 1 347 . 1 1 32 32 GLU HB3 H 1 1.879 0.003 . 2 . . . . 32 Glu HB3 . 25387 1 348 . 1 1 32 32 GLU HG2 H 1 2.249 0.009 . 2 . . . . 32 Glu HG2 . 25387 1 349 . 1 1 32 32 GLU HG3 H 1 2.430 0.006 . 2 . . . . 32 Glu HG3 . 25387 1 350 . 1 1 32 32 GLU C C 13 178.544 0.000 . 1 . . . . 32 Glu C . 25387 1 351 . 1 1 32 32 GLU CA C 13 59.989 0.083 . 1 . . . . 32 Glu CA . 25387 1 352 . 1 1 32 32 GLU CB C 13 28.938 0.076 . 1 . . . . 32 Glu CB . 25387 1 353 . 1 1 32 32 GLU CG C 13 37.467 0.030 . 1 . . . . 32 Glu CG . 25387 1 354 . 1 1 32 32 GLU N N 15 120.363 0.031 . 1 . . . . 32 Glu N . 25387 1 355 . 1 1 33 33 LEU H H 1 7.362 0.003 . 1 . . . . 33 Leu H . 25387 1 356 . 1 1 33 33 LEU HA H 1 4.107 0.004 . 1 . . . . 33 Leu HA . 25387 1 357 . 1 1 33 33 LEU HB2 H 1 1.509 0.007 . 2 . . . . 33 Leu HB2 . 25387 1 358 . 1 1 33 33 LEU HB3 H 1 1.775 0.008 . 2 . . . . 33 Leu HB3 . 25387 1 359 . 1 1 33 33 LEU HG H 1 0.812 0.005 . 1 . . . . 33 Leu HG . 25387 1 360 . 1 1 33 33 LEU HD11 H 1 0.901 0.005 . 2 . . . . 33 Leu HD11 . 25387 1 361 . 1 1 33 33 LEU HD12 H 1 0.901 0.005 . 2 . . . . 33 Leu HD12 . 25387 1 362 . 1 1 33 33 LEU HD13 H 1 0.901 0.005 . 2 . . . . 33 Leu HD13 . 25387 1 363 . 1 1 33 33 LEU HD21 H 1 0.901 0.004 . 2 . . . . 33 Leu HD21 . 25387 1 364 . 1 1 33 33 LEU HD22 H 1 0.901 0.004 . 2 . . . . 33 Leu HD22 . 25387 1 365 . 1 1 33 33 LEU HD23 H 1 0.901 0.004 . 2 . . . . 33 Leu HD23 . 25387 1 366 . 1 1 33 33 LEU C C 13 178.520 0.000 . 1 . . . . 33 Leu C . 25387 1 367 . 1 1 33 33 LEU CA C 13 57.920 0.042 . 1 . . . . 33 Leu CA . 25387 1 368 . 1 1 33 33 LEU CB C 13 42.163 0.052 . 1 . . . . 33 Leu CB . 25387 1 369 . 1 1 33 33 LEU CG C 13 26.955 0.031 . 1 . . . . 33 Leu CG . 25387 1 370 . 1 1 33 33 LEU CD1 C 13 23.440 0.007 . 2 . . . . 33 Leu CD1 . 25387 1 371 . 1 1 33 33 LEU CD2 C 13 23.436 0.085 . 2 . . . . 33 Leu CD2 . 25387 1 372 . 1 1 33 33 LEU N N 15 120.525 0.038 . 1 . . . . 33 Leu N . 25387 1 373 . 1 1 34 34 VAL H H 1 8.328 0.002 . 1 . . . . 34 Val H . 25387 1 374 . 1 1 34 34 VAL HA H 1 3.414 0.007 . 1 . . . . 34 Val HA . 25387 1 375 . 1 1 34 34 VAL HB H 1 2.178 0.003 . 1 . . . . 34 Val HB . 25387 1 376 . 1 1 34 34 VAL HG11 H 1 0.950 0.004 . 2 . . . . 34 Val HG11 . 25387 1 377 . 1 1 34 34 VAL HG12 H 1 0.950 0.004 . 2 . . . . 34 Val HG12 . 25387 1 378 . 1 1 34 34 VAL HG13 H 1 0.950 0.004 . 2 . . . . 34 Val HG13 . 25387 1 379 . 1 1 34 34 VAL HG21 H 1 1.100 0.005 . 2 . . . . 34 Val HG21 . 25387 1 380 . 1 1 34 34 VAL HG22 H 1 1.100 0.005 . 2 . . . . 34 Val HG22 . 25387 1 381 . 1 1 34 34 VAL HG23 H 1 1.100 0.005 . 2 . . . . 34 Val HG23 . 25387 1 382 . 1 1 34 34 VAL C C 13 180.000 0.000 . 1 . . . . 34 Val C . 25387 1 383 . 1 1 34 34 VAL CA C 13 66.842 0.029 . 1 . . . . 34 Val CA . 25387 1 384 . 1 1 34 34 VAL CB C 13 31.388 0.066 . 1 . . . . 34 Val CB . 25387 1 385 . 1 1 34 34 VAL CG1 C 13 21.451 0.083 . 2 . . . . 34 Val CG1 . 25387 1 386 . 1 1 34 34 VAL CG2 C 13 23.104 0.057 . 2 . . . . 34 Val CG2 . 25387 1 387 . 1 1 34 34 VAL N N 15 118.264 0.041 . 1 . . . . 34 Val N . 25387 1 388 . 1 1 35 35 ALA H H 1 8.150 0.002 . 1 . . . . 35 Ala H . 25387 1 389 . 1 1 35 35 ALA HA H 1 4.044 0.002 . 1 . . . . 35 Ala HA . 25387 1 390 . 1 1 35 35 ALA HB1 H 1 1.304 0.006 . 1 . . . . 35 Ala HB1 . 25387 1 391 . 1 1 35 35 ALA HB2 H 1 1.304 0.006 . 1 . . . . 35 Ala HB2 . 25387 1 392 . 1 1 35 35 ALA HB3 H 1 1.304 0.006 . 1 . . . . 35 Ala HB3 . 25387 1 393 . 1 1 35 35 ALA C C 13 178.678 0.000 . 1 . . . . 35 Ala C . 25387 1 394 . 1 1 35 35 ALA CA C 13 54.699 0.075 . 1 . . . . 35 Ala CA . 25387 1 395 . 1 1 35 35 ALA CB C 13 18.078 0.094 . 1 . . . . 35 Ala CB . 25387 1 396 . 1 1 35 35 ALA N N 15 122.909 0.021 . 1 . . . . 35 Ala N . 25387 1 397 . 1 1 36 36 LYS H H 1 7.307 0.003 . 1 . . . . 36 Lys H . 25387 1 398 . 1 1 36 36 LYS HA H 1 4.326 0.002 . 1 . . . . 36 Lys HA . 25387 1 399 . 1 1 36 36 LYS HB2 H 1 1.943 0.003 . 1 . . . . 36 Lys HB2 . 25387 1 400 . 1 1 36 36 LYS HB3 H 1 1.943 0.003 . 1 . . . . 36 Lys HB3 . 25387 1 401 . 1 1 36 36 LYS HG2 H 1 1.606 0.004 . 2 . . . . 36 Lys HG2 . 25387 1 402 . 1 1 36 36 LYS HG3 H 1 1.605 0.004 . 2 . . . . 36 Lys HG3 . 25387 1 403 . 1 1 36 36 LYS HD2 H 1 1.656 0.000 . 1 . . . . 36 Lys HD2 . 25387 1 404 . 1 1 36 36 LYS HD3 H 1 1.656 0.000 . 1 . . . . 36 Lys HD3 . 25387 1 405 . 1 1 36 36 LYS HE2 H 1 2.947 0.002 . 1 . . . . 36 Lys HE2 . 25387 1 406 . 1 1 36 36 LYS HE3 H 1 2.947 0.002 . 1 . . . . 36 Lys HE3 . 25387 1 407 . 1 1 36 36 LYS C C 13 176.973 0.000 . 1 . . . . 36 Lys C . 25387 1 408 . 1 1 36 36 LYS CA C 13 56.694 0.096 . 1 . . . . 36 Lys CA . 25387 1 409 . 1 1 36 36 LYS CB C 13 33.226 0.087 . 1 . . . . 36 Lys CB . 25387 1 410 . 1 1 36 36 LYS CG C 13 25.013 0.053 . 1 . . . . 36 Lys CG . 25387 1 411 . 1 1 36 36 LYS CD C 13 29.615 0.000 . 1 . . . . 36 Lys CD . 25387 1 412 . 1 1 36 36 LYS CE C 13 41.992 0.141 . 1 . . . . 36 Lys CE . 25387 1 413 . 1 1 36 36 LYS N N 15 116.198 0.035 . 1 . . . . 36 Lys N . 25387 1 414 . 1 1 37 37 SER H H 1 7.697 0.003 . 1 . . . . 37 Ser H . 25387 1 415 . 1 1 37 37 SER HA H 1 4.443 0.004 . 1 . . . . 37 Ser HA . 25387 1 416 . 1 1 37 37 SER HB2 H 1 3.946 0.000 . 1 . . . . 37 Ser HB2 . 25387 1 417 . 1 1 37 37 SER HB3 H 1 3.946 0.000 . 1 . . . . 37 Ser HB3 . 25387 1 418 . 1 1 37 37 SER HG H 1 5.105 0.000 . 1 . . . . 37 Ser HG . 25387 1 419 . 1 1 37 37 SER C C 13 173.737 0.000 . 1 . . . . 37 Ser C . 25387 1 420 . 1 1 37 37 SER CA C 13 59.616 0.060 . 1 . . . . 37 Ser CA . 25387 1 421 . 1 1 37 37 SER CB C 13 65.237 0.046 . 1 . . . . 37 Ser CB . 25387 1 422 . 1 1 37 37 SER N N 15 117.917 0.041 . 1 . . . . 37 Ser N . 25387 1 423 . 1 1 38 38 ARG H H 1 9.018 0.003 . 1 . . . . 38 Arg H . 25387 1 424 . 1 1 38 38 ARG HA H 1 4.444 0.003 . 1 . . . . 38 Arg HA . 25387 1 425 . 1 1 38 38 ARG HB2 H 1 1.909 0.004 . 2 . . . . 38 Arg HB2 . 25387 1 426 . 1 1 38 38 ARG HB3 H 1 1.615 0.010 . 2 . . . . 38 Arg HB3 . 25387 1 427 . 1 1 38 38 ARG HG2 H 1 1.637 0.013 . 2 . . . . 38 Arg HG2 . 25387 1 428 . 1 1 38 38 ARG HG3 H 1 1.413 0.003 . 2 . . . . 38 Arg HG3 . 25387 1 429 . 1 1 38 38 ARG HD2 H 1 3.203 0.002 . 1 . . . . 38 Arg HD2 . 25387 1 430 . 1 1 38 38 ARG HD3 H 1 3.203 0.002 . 1 . . . . 38 Arg HD3 . 25387 1 431 . 1 1 38 38 ARG C C 13 177.874 0.000 . 1 . . . . 38 Arg C . 25387 1 432 . 1 1 38 38 ARG CA C 13 55.592 0.028 . 1 . . . . 38 Arg CA . 25387 1 433 . 1 1 38 38 ARG CB C 13 29.992 0.057 . 1 . . . . 38 Arg CB . 25387 1 434 . 1 1 38 38 ARG CG C 13 26.521 0.023 . 1 . . . . 38 Arg CG . 25387 1 435 . 1 1 38 38 ARG CD C 13 41.726 0.074 . 1 . . . . 38 Arg CD . 25387 1 436 . 1 1 38 38 ARG N N 15 118.764 0.029 . 1 . . . . 38 Arg N . 25387 1 437 . 1 1 39 39 GLY H H 1 7.833 0.003 . 1 . . . . 39 Gly H . 25387 1 438 . 1 1 39 39 GLY HA2 H 1 3.630 0.002 . 2 . . . . 39 Gly HA2 . 25387 1 439 . 1 1 39 39 GLY HA3 H 1 4.846 0.010 . 2 . . . . 39 Gly HA3 . 25387 1 440 . 1 1 39 39 GLY C C 13 170.837 0.000 . 1 . . . . 39 Gly C . 25387 1 441 . 1 1 39 39 GLY CA C 13 46.082 0.021 . 1 . . . . 39 Gly CA . 25387 1 442 . 1 1 39 39 GLY N N 15 105.032 0.025 . 1 . . . . 39 Gly N . 25387 1 443 . 1 1 40 40 VAL H H 1 8.997 0.006 . 1 . . . . 40 Val H . 25387 1 444 . 1 1 40 40 VAL HA H 1 5.127 0.010 . 1 . . . . 40 Val HA . 25387 1 445 . 1 1 40 40 VAL HB H 1 1.951 0.004 . 1 . . . . 40 Val HB . 25387 1 446 . 1 1 40 40 VAL HG11 H 1 0.838 0.001 . 2 . . . . 40 Val HG11 . 25387 1 447 . 1 1 40 40 VAL HG12 H 1 0.838 0.001 . 2 . . . . 40 Val HG12 . 25387 1 448 . 1 1 40 40 VAL HG13 H 1 0.838 0.001 . 2 . . . . 40 Val HG13 . 25387 1 449 . 1 1 40 40 VAL HG21 H 1 0.860 0.003 . 2 . . . . 40 Val HG21 . 25387 1 450 . 1 1 40 40 VAL HG22 H 1 0.860 0.003 . 2 . . . . 40 Val HG22 . 25387 1 451 . 1 1 40 40 VAL HG23 H 1 0.860 0.003 . 2 . . . . 40 Val HG23 . 25387 1 452 . 1 1 40 40 VAL C C 13 172.267 0.000 . 1 . . . . 40 Val C . 25387 1 453 . 1 1 40 40 VAL CA C 13 60.171 0.053 . 1 . . . . 40 Val CA . 25387 1 454 . 1 1 40 40 VAL CB C 13 34.823 0.097 . 1 . . . . 40 Val CB . 25387 1 455 . 1 1 40 40 VAL CG1 C 13 21.793 0.036 . 2 . . . . 40 Val CG1 . 25387 1 456 . 1 1 40 40 VAL CG2 C 13 20.744 0.016 . 2 . . . . 40 Val CG2 . 25387 1 457 . 1 1 40 40 VAL N N 15 121.308 0.032 . 1 . . . . 40 Val N . 25387 1 458 . 1 1 41 41 LEU H H 1 9.540 0.004 . 1 . . . . 41 Leu H . 25387 1 459 . 1 1 41 41 LEU HA H 1 5.239 0.007 . 1 . . . . 41 Leu HA . 25387 1 460 . 1 1 41 41 LEU HB2 H 1 0.954 0.008 . 2 . . . . 41 Leu HB2 . 25387 1 461 . 1 1 41 41 LEU HB3 H 1 1.943 0.004 . 2 . . . . 41 Leu HB3 . 25387 1 462 . 1 1 41 41 LEU HG H 1 1.139 0.007 . 1 . . . . 41 Leu HG . 25387 1 463 . 1 1 41 41 LEU HD11 H 1 0.169 0.009 . 2 . . . . 41 Leu HD11 . 25387 1 464 . 1 1 41 41 LEU HD12 H 1 0.169 0.009 . 2 . . . . 41 Leu HD12 . 25387 1 465 . 1 1 41 41 LEU HD13 H 1 0.169 0.009 . 2 . . . . 41 Leu HD13 . 25387 1 466 . 1 1 41 41 LEU HD21 H 1 0.215 0.010 . 2 . . . . 41 Leu HD21 . 25387 1 467 . 1 1 41 41 LEU HD22 H 1 0.215 0.010 . 2 . . . . 41 Leu HD22 . 25387 1 468 . 1 1 41 41 LEU HD23 H 1 0.215 0.010 . 2 . . . . 41 Leu HD23 . 25387 1 469 . 1 1 41 41 LEU C C 13 173.951 0.000 . 1 . . . . 41 Leu C . 25387 1 470 . 1 1 41 41 LEU CA C 13 52.962 0.054 . 1 . . . . 41 Leu CA . 25387 1 471 . 1 1 41 41 LEU CB C 13 45.328 0.033 . 1 . . . . 41 Leu CB . 25387 1 472 . 1 1 41 41 LEU CG C 13 26.727 0.061 . 1 . . . . 41 Leu CG . 25387 1 473 . 1 1 41 41 LEU CD1 C 13 22.166 0.054 . 2 . . . . 41 Leu CD1 . 25387 1 474 . 1 1 41 41 LEU CD2 C 13 26.775 0.033 . 2 . . . . 41 Leu CD2 . 25387 1 475 . 1 1 41 41 LEU N N 15 132.645 0.037 . 1 . . . . 41 Leu N . 25387 1 476 . 1 1 42 42 VAL H H 1 8.438 0.003 . 1 . . . . 42 Val H . 25387 1 477 . 1 1 42 42 VAL HA H 1 4.550 0.003 . 1 . . . . 42 Val HA . 25387 1 478 . 1 1 42 42 VAL HB H 1 2.109 0.007 . 1 . . . . 42 Val HB . 25387 1 479 . 1 1 42 42 VAL HG11 H 1 0.832 0.005 . 2 . . . . 42 Val HG11 . 25387 1 480 . 1 1 42 42 VAL HG12 H 1 0.832 0.005 . 2 . . . . 42 Val HG12 . 25387 1 481 . 1 1 42 42 VAL HG13 H 1 0.832 0.005 . 2 . . . . 42 Val HG13 . 25387 1 482 . 1 1 42 42 VAL HG21 H 1 0.893 0.005 . 2 . . . . 42 Val HG21 . 25387 1 483 . 1 1 42 42 VAL HG22 H 1 0.893 0.005 . 2 . . . . 42 Val HG22 . 25387 1 484 . 1 1 42 42 VAL HG23 H 1 0.893 0.005 . 2 . . . . 42 Val HG23 . 25387 1 485 . 1 1 42 42 VAL C C 13 173.465 0.000 . 1 . . . . 42 Val C . 25387 1 486 . 1 1 42 42 VAL CA C 13 61.203 0.023 . 1 . . . . 42 Val CA . 25387 1 487 . 1 1 42 42 VAL CB C 13 34.414 0.045 . 1 . . . . 42 Val CB . 25387 1 488 . 1 1 42 42 VAL CG1 C 13 21.169 0.101 . 2 . . . . 42 Val CG1 . 25387 1 489 . 1 1 42 42 VAL CG2 C 13 21.467 0.112 . 2 . . . . 42 Val CG2 . 25387 1 490 . 1 1 42 42 VAL N N 15 126.572 0.034 . 1 . . . . 42 Val N . 25387 1 491 . 1 1 43 43 PHE H H 1 9.240 0.005 . 1 . . . . 43 Phe H . 25387 1 492 . 1 1 43 43 PHE HA H 1 5.262 0.004 . 1 . . . . 43 Phe HA . 25387 1 493 . 1 1 43 43 PHE HB2 H 1 3.102 0.000 . 2 . . . . 43 Phe HB2 . 25387 1 494 . 1 1 43 43 PHE HB3 H 1 2.956 0.001 . 2 . . . . 43 Phe HB3 . 25387 1 495 . 1 1 43 43 PHE HD1 H 1 7.198 0.005 . 3 . . . . 43 Phe HD1 . 25387 1 496 . 1 1 43 43 PHE HD2 H 1 7.198 0.005 . 3 . . . . 43 Phe HD2 . 25387 1 497 . 1 1 43 43 PHE HE1 H 1 7.134 0.004 . 3 . . . . 43 Phe HE1 . 25387 1 498 . 1 1 43 43 PHE HE2 H 1 7.134 0.004 . 3 . . . . 43 Phe HE2 . 25387 1 499 . 1 1 43 43 PHE HZ H 1 7.060 0.004 . 1 . . . . 43 Phe HZ . 25387 1 500 . 1 1 43 43 PHE CA C 13 55.582 0.025 . 1 . . . . 43 Phe CA . 25387 1 501 . 1 1 43 43 PHE CB C 13 40.055 0.035 . 1 . . . . 43 Phe CB . 25387 1 502 . 1 1 43 43 PHE CD1 C 13 132.705 0.007 . 3 . . . . 43 Phe CD1 . 25387 1 503 . 1 1 43 43 PHE CD2 C 13 132.705 0.007 . 3 . . . . 43 Phe CD2 . 25387 1 504 . 1 1 43 43 PHE CE1 C 13 130.475 0.000 . 3 . . . . 43 Phe CE1 . 25387 1 505 . 1 1 43 43 PHE CE2 C 13 130.475 0.000 . 3 . . . . 43 Phe CE2 . 25387 1 506 . 1 1 43 43 PHE CZ C 13 128.610 0.000 . 1 . . . . 43 Phe CZ . 25387 1 507 . 1 1 43 43 PHE N N 15 125.223 0.033 . 1 . . . . 43 Phe N . 25387 1 508 . 1 1 44 44 PRO HA H 1 4.151 0.004 . 1 . . . . 44 Pro HA . 25387 1 509 . 1 1 44 44 PRO HB2 H 1 1.949 0.006 . 2 . . . . 44 Pro HB2 . 25387 1 510 . 1 1 44 44 PRO HB3 H 1 2.333 0.007 . 2 . . . . 44 Pro HB3 . 25387 1 511 . 1 1 44 44 PRO HG2 H 1 1.502 0.011 . 2 . . . . 44 Pro HG2 . 25387 1 512 . 1 1 44 44 PRO HG3 H 1 2.169 0.009 . 2 . . . . 44 Pro HG3 . 25387 1 513 . 1 1 44 44 PRO HD2 H 1 4.405 0.006 . 2 . . . . 44 Pro HD2 . 25387 1 514 . 1 1 44 44 PRO HD3 H 1 4.022 0.003 . 2 . . . . 44 Pro HD3 . 25387 1 515 . 1 1 44 44 PRO C C 13 175.322 0.000 . 1 . . . . 44 Pro C . 25387 1 516 . 1 1 44 44 PRO CA C 13 64.506 0.058 . 1 . . . . 44 Pro CA . 25387 1 517 . 1 1 44 44 PRO CB C 13 34.448 0.074 . 1 . . . . 44 Pro CB . 25387 1 518 . 1 1 44 44 PRO CG C 13 27.985 0.136 . 1 . . . . 44 Pro CG . 25387 1 519 . 1 1 44 44 PRO CD C 13 51.063 0.091 . 1 . . . . 44 Pro CD . 25387 1 520 . 1 1 45 45 ASP H H 1 8.749 0.004 . 1 . . . . 45 Asp H . 25387 1 521 . 1 1 45 45 ASP HA H 1 4.821 0.004 . 1 . . . . 45 Asp HA . 25387 1 522 . 1 1 45 45 ASP HB2 H 1 2.548 0.000 . 2 . . . . 45 Asp HB2 . 25387 1 523 . 1 1 45 45 ASP HB3 H 1 2.687 0.000 . 2 . . . . 45 Asp HB3 . 25387 1 524 . 1 1 45 45 ASP CA C 13 54.137 0.051 . 1 . . . . 45 Asp CA . 25387 1 525 . 1 1 45 45 ASP CB C 13 41.639 0.000 . 1 . . . . 45 Asp CB . 25387 1 526 . 1 1 45 45 ASP N N 15 116.275 0.095 . 1 . . . . 45 Asp N . 25387 1 527 . 1 1 46 46 VAL HA H 1 4.304 0.002 . 1 . . . . 46 Val HA . 25387 1 528 . 1 1 46 46 VAL HB H 1 2.239 0.004 . 1 . . . . 46 Val HB . 25387 1 529 . 1 1 46 46 VAL HG11 H 1 0.868 0.010 . 2 . . . . 46 Val HG11 . 25387 1 530 . 1 1 46 46 VAL HG12 H 1 0.868 0.010 . 2 . . . . 46 Val HG12 . 25387 1 531 . 1 1 46 46 VAL HG13 H 1 0.868 0.010 . 2 . . . . 46 Val HG13 . 25387 1 532 . 1 1 46 46 VAL HG21 H 1 0.863 0.003 . 2 . . . . 46 Val HG21 . 25387 1 533 . 1 1 46 46 VAL HG22 H 1 0.863 0.003 . 2 . . . . 46 Val HG22 . 25387 1 534 . 1 1 46 46 VAL HG23 H 1 0.863 0.003 . 2 . . . . 46 Val HG23 . 25387 1 535 . 1 1 46 46 VAL C C 13 174.900 0.000 . 1 . . . . 46 Val C . 25387 1 536 . 1 1 46 46 VAL CA C 13 62.058 0.078 . 1 . . . . 46 Val CA . 25387 1 537 . 1 1 46 46 VAL CB C 13 32.720 0.050 . 1 . . . . 46 Val CB . 25387 1 538 . 1 1 46 46 VAL CG1 C 13 22.354 0.024 . 2 . . . . 46 Val CG1 . 25387 1 539 . 1 1 46 46 VAL CG2 C 13 20.083 0.059 . 2 . . . . 46 Val CG2 . 25387 1 540 . 1 1 47 47 ILE H H 1 8.235 0.005 . 1 . . . . 47 Ile H . 25387 1 541 . 1 1 47 47 ILE HA H 1 4.394 0.005 . 1 . . . . 47 Ile HA . 25387 1 542 . 1 1 47 47 ILE HB H 1 1.911 0.004 . 1 . . . . 47 Ile HB . 25387 1 543 . 1 1 47 47 ILE HG12 H 1 1.250 0.013 . 2 . . . . 47 Ile HG12 . 25387 1 544 . 1 1 47 47 ILE HG13 H 1 1.439 0.005 . 2 . . . . 47 Ile HG13 . 25387 1 545 . 1 1 47 47 ILE HG21 H 1 0.843 0.019 . 1 . . . . 47 Ile HG21 . 25387 1 546 . 1 1 47 47 ILE HG22 H 1 0.843 0.019 . 1 . . . . 47 Ile HG22 . 25387 1 547 . 1 1 47 47 ILE HG23 H 1 0.843 0.019 . 1 . . . . 47 Ile HG23 . 25387 1 548 . 1 1 47 47 ILE HD11 H 1 0.814 0.003 . 1 . . . . 47 Ile HD11 . 25387 1 549 . 1 1 47 47 ILE HD12 H 1 0.814 0.003 . 1 . . . . 47 Ile HD12 . 25387 1 550 . 1 1 47 47 ILE HD13 H 1 0.814 0.003 . 1 . . . . 47 Ile HD13 . 25387 1 551 . 1 1 47 47 ILE C C 13 175.339 0.000 . 1 . . . . 47 Ile C . 25387 1 552 . 1 1 47 47 ILE CA C 13 59.909 0.079 . 1 . . . . 47 Ile CA . 25387 1 553 . 1 1 47 47 ILE CB C 13 39.495 0.056 . 1 . . . . 47 Ile CB . 25387 1 554 . 1 1 47 47 ILE CG1 C 13 27.213 0.057 . 1 . . . . 47 Ile CG1 . 25387 1 555 . 1 1 47 47 ILE CG2 C 13 17.343 0.082 . 1 . . . . 47 Ile CG2 . 25387 1 556 . 1 1 47 47 ILE CD1 C 13 12.764 0.076 . 1 . . . . 47 Ile CD1 . 25387 1 557 . 1 1 47 47 ILE N N 15 122.903 0.047 . 1 . . . . 47 Ile N . 25387 1 558 . 1 1 48 48 GLN H H 1 8.476 0.005 . 1 . . . . 48 Gln H . 25387 1 559 . 1 1 48 48 GLN HA H 1 4.352 0.007 . 1 . . . . 48 Gln HA . 25387 1 560 . 1 1 48 48 GLN HB2 H 1 2.029 0.011 . 2 . . . . 48 Gln HB2 . 25387 1 561 . 1 1 48 48 GLN HB3 H 1 2.073 0.001 . 2 . . . . 48 Gln HB3 . 25387 1 562 . 1 1 48 48 GLN HG2 H 1 2.349 0.003 . 2 . . . . 48 Gln HG2 . 25387 1 563 . 1 1 48 48 GLN HG3 H 1 2.349 0.003 . 2 . . . . 48 Gln HG3 . 25387 1 564 . 1 1 48 48 GLN C C 13 175.360 0.000 . 1 . . . . 48 Gln C . 25387 1 565 . 1 1 48 48 GLN CA C 13 56.044 0.065 . 1 . . . . 48 Gln CA . 25387 1 566 . 1 1 48 48 GLN CB C 13 29.573 0.055 . 1 . . . . 48 Gln CB . 25387 1 567 . 1 1 48 48 GLN CG C 13 33.767 0.049 . 1 . . . . 48 Gln CG . 25387 1 568 . 1 1 48 48 GLN N N 15 125.167 0.043 . 1 . . . . 48 Gln N . 25387 1 569 . 1 1 49 49 ALA H H 1 8.473 0.002 . 1 . . . . 49 Ala H . 25387 1 570 . 1 1 49 49 ALA HA H 1 4.311 0.003 . 1 . . . . 49 Ala HA . 25387 1 571 . 1 1 49 49 ALA HB1 H 1 1.382 0.001 . 1 . . . . 49 Ala HB1 . 25387 1 572 . 1 1 49 49 ALA HB2 H 1 1.382 0.001 . 1 . . . . 49 Ala HB2 . 25387 1 573 . 1 1 49 49 ALA HB3 H 1 1.382 0.001 . 1 . . . . 49 Ala HB3 . 25387 1 574 . 1 1 49 49 ALA C C 13 177.815 0.000 . 1 . . . . 49 Ala C . 25387 1 575 . 1 1 49 49 ALA CA C 13 52.733 0.050 . 1 . . . . 49 Ala CA . 25387 1 576 . 1 1 49 49 ALA CB C 13 19.339 0.059 . 1 . . . . 49 Ala CB . 25387 1 577 . 1 1 49 49 ALA N N 15 127.091 0.027 . 1 . . . . 49 Ala N . 25387 1 578 . 1 1 50 50 GLY H H 1 8.328 0.003 . 1 . . . . 50 Gly H . 25387 1 579 . 1 1 50 50 GLY HA2 H 1 3.989 0.035 . 2 . . . . 50 Gly HA2 . 25387 1 580 . 1 1 50 50 GLY HA3 H 1 3.930 0.024 . 2 . . . . 50 Gly HA3 . 25387 1 581 . 1 1 50 50 GLY C C 13 174.240 0.000 . 1 . . . . 50 Gly C . 25387 1 582 . 1 1 50 50 GLY CA C 13 45.482 0.049 . 1 . . . . 50 Gly CA . 25387 1 583 . 1 1 50 50 GLY N N 15 108.468 0.045 . 1 . . . . 50 Gly N . 25387 1 584 . 1 1 51 51 LEU H H 1 8.147 0.002 . 1 . . . . 51 Leu H . 25387 1 585 . 1 1 51 51 LEU HA H 1 4.351 0.003 . 1 . . . . 51 Leu HA . 25387 1 586 . 1 1 51 51 LEU HB2 H 1 1.625 0.024 . 2 . . . . 51 Leu HB2 . 25387 1 587 . 1 1 51 51 LEU HB3 H 1 1.682 0.006 . 2 . . . . 51 Leu HB3 . 25387 1 588 . 1 1 51 51 LEU HG H 1 1.615 0.003 . 1 . . . . 51 Leu HG . 25387 1 589 . 1 1 51 51 LEU HD11 H 1 0.914 0.006 . 2 . . . . 51 Leu HD11 . 25387 1 590 . 1 1 51 51 LEU HD12 H 1 0.914 0.006 . 2 . . . . 51 Leu HD12 . 25387 1 591 . 1 1 51 51 LEU HD13 H 1 0.914 0.006 . 2 . . . . 51 Leu HD13 . 25387 1 592 . 1 1 51 51 LEU HD21 H 1 0.872 0.012 . 2 . . . . 51 Leu HD21 . 25387 1 593 . 1 1 51 51 LEU HD22 H 1 0.872 0.012 . 2 . . . . 51 Leu HD22 . 25387 1 594 . 1 1 51 51 LEU HD23 H 1 0.872 0.012 . 2 . . . . 51 Leu HD23 . 25387 1 595 . 1 1 51 51 LEU C C 13 177.292 0.000 . 1 . . . . 51 Leu C . 25387 1 596 . 1 1 51 51 LEU CA C 13 55.528 0.071 . 1 . . . . 51 Leu CA . 25387 1 597 . 1 1 51 51 LEU CB C 13 42.583 0.043 . 1 . . . . 51 Leu CB . 25387 1 598 . 1 1 51 51 LEU CG C 13 27.091 0.047 . 1 . . . . 51 Leu CG . 25387 1 599 . 1 1 51 51 LEU CD1 C 13 25.056 0.069 . 2 . . . . 51 Leu CD1 . 25387 1 600 . 1 1 51 51 LEU CD2 C 13 23.458 0.066 . 2 . . . . 51 Leu CD2 . 25387 1 601 . 1 1 51 51 LEU N N 15 122.086 0.020 . 1 . . . . 51 Leu N . 25387 1 602 . 1 1 52 52 ILE H H 1 8.011 0.003 . 1 . . . . 52 Ile H . 25387 1 603 . 1 1 52 52 ILE HA H 1 4.163 0.000 . 1 . . . . 52 Ile HA . 25387 1 604 . 1 1 52 52 ILE HB H 1 1.876 0.000 . 1 . . . . 52 Ile HB . 25387 1 605 . 1 1 52 52 ILE HG12 H 1 1.172 0.008 . 2 . . . . 52 Ile HG12 . 25387 1 606 . 1 1 52 52 ILE HG13 H 1 1.494 0.004 . 2 . . . . 52 Ile HG13 . 25387 1 607 . 1 1 52 52 ILE HG21 H 1 0.867 0.000 . 1 . . . . 52 Ile HG21 . 25387 1 608 . 1 1 52 52 ILE HG22 H 1 0.867 0.000 . 1 . . . . 52 Ile HG22 . 25387 1 609 . 1 1 52 52 ILE HG23 H 1 0.867 0.000 . 1 . . . . 52 Ile HG23 . 25387 1 610 . 1 1 52 52 ILE HD11 H 1 0.845 0.009 . 1 . . . . 52 Ile HD11 . 25387 1 611 . 1 1 52 52 ILE HD12 H 1 0.845 0.009 . 1 . . . . 52 Ile HD12 . 25387 1 612 . 1 1 52 52 ILE HD13 H 1 0.845 0.009 . 1 . . . . 52 Ile HD13 . 25387 1 613 . 1 1 52 52 ILE C C 13 176.364 0.000 . 1 . . . . 52 Ile C . 25387 1 614 . 1 1 52 52 ILE CA C 13 61.137 0.047 . 1 . . . . 52 Ile CA . 25387 1 615 . 1 1 52 52 ILE CB C 13 38.745 0.000 . 1 . . . . 52 Ile CB . 25387 1 616 . 1 1 52 52 ILE CG1 C 13 27.411 0.022 . 1 . . . . 52 Ile CG1 . 25387 1 617 . 1 1 52 52 ILE CG2 C 13 17.589 0.000 . 1 . . . . 52 Ile CG2 . 25387 1 618 . 1 1 52 52 ILE CD1 C 13 12.937 0.000 . 1 . . . . 52 Ile CD1 . 25387 1 619 . 1 1 52 52 ILE N N 15 121.109 0.023 . 1 . . . . 52 Ile N . 25387 1 620 . 1 1 53 53 ILE H H 1 8.244 0.003 . 1 . . . . 53 Ile H . 25387 1 621 . 1 1 53 53 ILE HA H 1 4.160 0.002 . 1 . . . . 53 Ile HA . 25387 1 622 . 1 1 53 53 ILE HB H 1 1.869 0.006 . 1 . . . . 53 Ile HB . 25387 1 623 . 1 1 53 53 ILE HG12 H 1 1.180 0.006 . 2 . . . . 53 Ile HG12 . 25387 1 624 . 1 1 53 53 ILE HG13 H 1 1.494 0.005 . 2 . . . . 53 Ile HG13 . 25387 1 625 . 1 1 53 53 ILE HG21 H 1 0.898 0.005 . 1 . . . . 53 Ile HG21 . 25387 1 626 . 1 1 53 53 ILE HG22 H 1 0.898 0.005 . 1 . . . . 53 Ile HG22 . 25387 1 627 . 1 1 53 53 ILE HG23 H 1 0.898 0.005 . 1 . . . . 53 Ile HG23 . 25387 1 628 . 1 1 53 53 ILE HD11 H 1 0.859 0.002 . 1 . . . . 53 Ile HD11 . 25387 1 629 . 1 1 53 53 ILE HD12 H 1 0.859 0.002 . 1 . . . . 53 Ile HD12 . 25387 1 630 . 1 1 53 53 ILE HD13 H 1 0.859 0.002 . 1 . . . . 53 Ile HD13 . 25387 1 631 . 1 1 53 53 ILE C C 13 176.736 0.000 . 1 . . . . 53 Ile C . 25387 1 632 . 1 1 53 53 ILE CA C 13 61.247 0.093 . 1 . . . . 53 Ile CA . 25387 1 633 . 1 1 53 53 ILE CB C 13 38.563 0.088 . 1 . . . . 53 Ile CB . 25387 1 634 . 1 1 53 53 ILE CG1 C 13 27.425 0.045 . 1 . . . . 53 Ile CG1 . 25387 1 635 . 1 1 53 53 ILE CG2 C 13 17.501 0.089 . 1 . . . . 53 Ile CG2 . 25387 1 636 . 1 1 53 53 ILE CD1 C 13 12.887 0.088 . 1 . . . . 53 Ile CD1 . 25387 1 637 . 1 1 53 53 ILE N N 15 125.887 0.029 . 1 . . . . 53 Ile N . 25387 1 638 . 1 1 54 54 GLY H H 1 8.580 0.004 . 1 . . . . 54 Gly H . 25387 1 639 . 1 1 54 54 GLY HA2 H 1 4.006 0.006 . 1 . . . . 54 Gly HA2 . 25387 1 640 . 1 1 54 54 GLY HA3 H 1 4.006 0.006 . 1 . . . . 54 Gly HA3 . 25387 1 641 . 1 1 54 54 GLY C C 13 174.874 0.000 . 1 . . . . 54 Gly C . 25387 1 642 . 1 1 54 54 GLY CA C 13 45.592 0.014 . 1 . . . . 54 Gly CA . 25387 1 643 . 1 1 54 54 GLY N N 15 114.486 0.031 . 1 . . . . 54 Gly N . 25387 1 644 . 1 1 55 55 GLY H H 1 8.363 0.002 . 1 . . . . 55 Gly H . 25387 1 645 . 1 1 55 55 GLY HA2 H 1 4.000 0.000 . 1 . . . . 55 Gly HA2 . 25387 1 646 . 1 1 55 55 GLY HA3 H 1 4.000 0.000 . 1 . . . . 55 Gly HA3 . 25387 1 647 . 1 1 55 55 GLY C C 13 174.138 0.000 . 1 . . . . 55 Gly C . 25387 1 648 . 1 1 55 55 GLY CA C 13 45.583 0.017 . 1 . . . . 55 Gly CA . 25387 1 649 . 1 1 55 55 GLY N N 15 109.362 0.031 . 1 . . . . 55 Gly N . 25387 1 650 . 1 1 56 56 GLN H H 1 8.428 0.003 . 1 . . . . 56 Gln H . 25387 1 651 . 1 1 56 56 GLN HA H 1 4.643 0.003 . 1 . . . . 56 Gln HA . 25387 1 652 . 1 1 56 56 GLN HB2 H 1 2.217 0.005 . 2 . . . . 56 Gln HB2 . 25387 1 653 . 1 1 56 56 GLN HB3 H 1 1.939 0.005 . 2 . . . . 56 Gln HB3 . 25387 1 654 . 1 1 56 56 GLN HG2 H 1 2.329 0.003 . 1 . . . . 56 Gln HG2 . 25387 1 655 . 1 1 56 56 GLN HG3 H 1 2.329 0.003 . 1 . . . . 56 Gln HG3 . 25387 1 656 . 1 1 56 56 GLN HE21 H 1 6.696 0.000 . 1 . . . . 56 Gln HE21 . 25387 1 657 . 1 1 56 56 GLN HE22 H 1 7.571 0.000 . 1 . . . . 56 Gln HE22 . 25387 1 658 . 1 1 56 56 GLN CA C 13 55.196 0.053 . 1 . . . . 56 Gln CA . 25387 1 659 . 1 1 56 56 GLN CB C 13 30.126 0.093 . 1 . . . . 56 Gln CB . 25387 1 660 . 1 1 56 56 GLN CG C 13 33.840 0.005 . 1 . . . . 56 Gln CG . 25387 1 661 . 1 1 56 56 GLN N N 15 120.096 0.024 . 1 . . . . 56 Gln N . 25387 1 662 . 1 1 56 56 GLN NE2 N 15 112.183 0.005 . 1 . . . . 56 Gln NE2 . 25387 1 663 . 1 1 57 57 THR HA H 1 4.471 0.000 . 1 . . . . 57 Thr HA . 25387 1 664 . 1 1 57 57 THR HB H 1 4.114 0.001 . 1 . . . . 57 Thr HB . 25387 1 665 . 1 1 57 57 THR HG21 H 1 1.165 0.004 . 1 . . . . 57 Thr HG21 . 25387 1 666 . 1 1 57 57 THR HG22 H 1 1.165 0.004 . 1 . . . . 57 Thr HG22 . 25387 1 667 . 1 1 57 57 THR HG23 H 1 1.165 0.004 . 1 . . . . 57 Thr HG23 . 25387 1 668 . 1 1 57 57 THR CA C 13 62.775 0.000 . 1 . . . . 57 Thr CA . 25387 1 669 . 1 1 57 57 THR CB C 13 69.922 0.000 . 1 . . . . 57 Thr CB . 25387 1 670 . 1 1 57 57 THR CG2 C 13 21.528 0.000 . 1 . . . . 57 Thr CG2 . 25387 1 671 . 1 1 58 58 GLY HA2 H 1 3.957 0.014 . 2 . . . . 58 Gly HA2 . 25387 1 672 . 1 1 58 58 GLY HA3 H 1 4.386 0.004 . 2 . . . . 58 Gly HA3 . 25387 1 673 . 1 1 58 58 GLY C C 13 173.439 0.000 . 1 . . . . 58 Gly C . 25387 1 674 . 1 1 58 58 GLY CA C 13 46.334 0.095 . 1 . . . . 58 Gly CA . 25387 1 675 . 1 1 59 59 ASN H H 1 8.356 0.006 . 1 . . . . 59 Asn H . 25387 1 676 . 1 1 59 59 ASN HA H 1 5.951 0.006 . 1 . . . . 59 Asn HA . 25387 1 677 . 1 1 59 59 ASN HB2 H 1 3.060 0.002 . 2 . . . . 59 Asn HB2 . 25387 1 678 . 1 1 59 59 ASN HB3 H 1 2.780 0.004 . 2 . . . . 59 Asn HB3 . 25387 1 679 . 1 1 59 59 ASN HD21 H 1 6.926 0.000 . 1 . . . . 59 Asn HD21 . 25387 1 680 . 1 1 59 59 ASN HD22 H 1 7.491 0.000 . 1 . . . . 59 Asn HD22 . 25387 1 681 . 1 1 59 59 ASN C C 13 176.719 0.000 . 1 . . . . 59 Asn C . 25387 1 682 . 1 1 59 59 ASN CA C 13 52.645 0.059 . 1 . . . . 59 Asn CA . 25387 1 683 . 1 1 59 59 ASN CB C 13 40.023 0.095 . 1 . . . . 59 Asn CB . 25387 1 684 . 1 1 59 59 ASN N N 15 118.100 0.050 . 1 . . . . 59 Asn N . 25387 1 685 . 1 1 59 59 ASN ND2 N 15 111.283 0.000 . 1 . . . . 59 Asn ND2 . 25387 1 686 . 1 1 60 60 GLY H H 1 9.524 0.002 . 1 . . . . 60 Gly H . 25387 1 687 . 1 1 60 60 GLY HA2 H 1 4.344 0.011 . 2 . . . . 60 Gly HA2 . 25387 1 688 . 1 1 60 60 GLY HA3 H 1 4.092 0.000 . 2 . . . . 60 Gly HA3 . 25387 1 689 . 1 1 60 60 GLY C C 13 172.021 0.000 . 1 . . . . 60 Gly C . 25387 1 690 . 1 1 60 60 GLY CA C 13 46.670 0.058 . 1 . . . . 60 Gly CA . 25387 1 691 . 1 1 60 60 GLY N N 15 109.526 0.058 . 1 . . . . 60 Gly N . 25387 1 692 . 1 1 61 61 ALA H H 1 7.822 0.006 . 1 . . . . 61 Ala H . 25387 1 693 . 1 1 61 61 ALA HA H 1 5.271 0.005 . 1 . . . . 61 Ala HA . 25387 1 694 . 1 1 61 61 ALA HB1 H 1 1.332 0.007 . 1 . . . . 61 Ala HB1 . 25387 1 695 . 1 1 61 61 ALA HB2 H 1 1.332 0.007 . 1 . . . . 61 Ala HB2 . 25387 1 696 . 1 1 61 61 ALA HB3 H 1 1.332 0.007 . 1 . . . . 61 Ala HB3 . 25387 1 697 . 1 1 61 61 ALA C C 13 174.758 0.000 . 1 . . . . 61 Ala C . 25387 1 698 . 1 1 61 61 ALA CA C 13 50.998 0.034 . 1 . . . . 61 Ala CA . 25387 1 699 . 1 1 61 61 ALA CB C 13 24.284 0.059 . 1 . . . . 61 Ala CB . 25387 1 700 . 1 1 61 61 ALA N N 15 118.864 0.015 . 1 . . . . 61 Ala N . 25387 1 701 . 1 1 62 62 LEU H H 1 8.472 0.003 . 1 . . . . 62 Leu H . 25387 1 702 . 1 1 62 62 LEU HA H 1 5.018 0.007 . 1 . . . . 62 Leu HA . 25387 1 703 . 1 1 62 62 LEU HB2 H 1 1.261 0.008 . 2 . . . . 62 Leu HB2 . 25387 1 704 . 1 1 62 62 LEU HB3 H 1 1.849 0.009 . 2 . . . . 62 Leu HB3 . 25387 1 705 . 1 1 62 62 LEU HG H 1 1.249 0.006 . 1 . . . . 62 Leu HG . 25387 1 706 . 1 1 62 62 LEU HD11 H 1 0.478 0.008 . 2 . . . . 62 Leu HD11 . 25387 1 707 . 1 1 62 62 LEU HD12 H 1 0.478 0.008 . 2 . . . . 62 Leu HD12 . 25387 1 708 . 1 1 62 62 LEU HD13 H 1 0.478 0.008 . 2 . . . . 62 Leu HD13 . 25387 1 709 . 1 1 62 62 LEU HD21 H 1 0.767 0.006 . 2 . . . . 62 Leu HD21 . 25387 1 710 . 1 1 62 62 LEU HD22 H 1 0.767 0.006 . 2 . . . . 62 Leu HD22 . 25387 1 711 . 1 1 62 62 LEU HD23 H 1 0.767 0.006 . 2 . . . . 62 Leu HD23 . 25387 1 712 . 1 1 62 62 LEU C C 13 174.752 0.000 . 1 . . . . 62 Leu C . 25387 1 713 . 1 1 62 62 LEU CA C 13 53.422 0.049 . 1 . . . . 62 Leu CA . 25387 1 714 . 1 1 62 62 LEU CB C 13 45.070 0.105 . 1 . . . . 62 Leu CB . 25387 1 715 . 1 1 62 62 LEU CG C 13 27.784 0.010 . 1 . . . . 62 Leu CG . 25387 1 716 . 1 1 62 62 LEU CD1 C 13 22.348 0.038 . 2 . . . . 62 Leu CD1 . 25387 1 717 . 1 1 62 62 LEU CD2 C 13 26.057 0.088 . 2 . . . . 62 Leu CD2 . 25387 1 718 . 1 1 62 62 LEU N N 15 122.623 0.042 . 1 . . . . 62 Leu N . 25387 1 719 . 1 1 63 63 ARG H H 1 9.726 0.006 . 1 . . . . 63 Arg H . 25387 1 720 . 1 1 63 63 ARG HA H 1 5.346 0.009 . 1 . . . . 63 Arg HA . 25387 1 721 . 1 1 63 63 ARG HB2 H 1 1.839 0.009 . 2 . . . . 63 Arg HB2 . 25387 1 722 . 1 1 63 63 ARG HB3 H 1 1.214 0.006 . 2 . . . . 63 Arg HB3 . 25387 1 723 . 1 1 63 63 ARG HG2 H 1 1.229 0.003 . 2 . . . . 63 Arg HG2 . 25387 1 724 . 1 1 63 63 ARG HG3 H 1 1.516 0.005 . 2 . . . . 63 Arg HG3 . 25387 1 725 . 1 1 63 63 ARG HD2 H 1 2.654 0.004 . 2 . . . . 63 Arg HD2 . 25387 1 726 . 1 1 63 63 ARG HD3 H 1 2.777 0.004 . 2 . . . . 63 Arg HD3 . 25387 1 727 . 1 1 63 63 ARG HE H 1 6.715 0.000 . 1 . . . . 63 Arg HE . 25387 1 728 . 1 1 63 63 ARG C C 13 175.524 0.000 . 1 . . . . 63 Arg C . 25387 1 729 . 1 1 63 63 ARG CA C 13 54.000 0.020 . 1 . . . . 63 Arg CA . 25387 1 730 . 1 1 63 63 ARG CB C 13 31.952 0.050 . 1 . . . . 63 Arg CB . 25387 1 731 . 1 1 63 63 ARG CG C 13 26.944 0.026 . 1 . . . . 63 Arg CG . 25387 1 732 . 1 1 63 63 ARG CD C 13 43.036 0.059 . 1 . . . . 63 Arg CD . 25387 1 733 . 1 1 63 63 ARG N N 15 128.081 0.033 . 1 . . . . 63 Arg N . 25387 1 734 . 1 1 63 63 ARG NE N 15 84.154 0.000 . 1 . . . . 63 Arg NE . 25387 1 735 . 1 1 64 64 VAL H H 1 8.667 0.003 . 1 . . . . 64 Val H . 25387 1 736 . 1 1 64 64 VAL HA H 1 4.314 0.002 . 1 . . . . 64 Val HA . 25387 1 737 . 1 1 64 64 VAL HB H 1 1.898 0.005 . 1 . . . . 64 Val HB . 25387 1 738 . 1 1 64 64 VAL HG11 H 1 0.957 0.004 . 2 . . . . 64 Val HG11 . 25387 1 739 . 1 1 64 64 VAL HG12 H 1 0.957 0.004 . 2 . . . . 64 Val HG12 . 25387 1 740 . 1 1 64 64 VAL HG13 H 1 0.957 0.004 . 2 . . . . 64 Val HG13 . 25387 1 741 . 1 1 64 64 VAL HG21 H 1 1.029 0.005 . 2 . . . . 64 Val HG21 . 25387 1 742 . 1 1 64 64 VAL HG22 H 1 1.029 0.005 . 2 . . . . 64 Val HG22 . 25387 1 743 . 1 1 64 64 VAL HG23 H 1 1.029 0.005 . 2 . . . . 64 Val HG23 . 25387 1 744 . 1 1 64 64 VAL C C 13 177.516 0.000 . 1 . . . . 64 Val C . 25387 1 745 . 1 1 64 64 VAL CA C 13 61.958 0.065 . 1 . . . . 64 Val CA . 25387 1 746 . 1 1 64 64 VAL CB C 13 35.538 0.026 . 1 . . . . 64 Val CB . 25387 1 747 . 1 1 64 64 VAL CG1 C 13 21.936 0.036 . 2 . . . . 64 Val CG1 . 25387 1 748 . 1 1 64 64 VAL CG2 C 13 20.662 0.082 . 2 . . . . 64 Val CG2 . 25387 1 749 . 1 1 64 64 VAL N N 15 123.911 0.076 . 1 . . . . 64 Val N . 25387 1 750 . 1 1 65 65 GLY H H 1 9.576 0.008 . 1 . . . . 65 Gly H . 25387 1 751 . 1 1 65 65 GLY HA2 H 1 3.919 0.006 . 1 . . . . 65 Gly HA2 . 25387 1 752 . 1 1 65 65 GLY HA3 H 1 3.919 0.006 . 1 . . . . 65 Gly HA3 . 25387 1 753 . 1 1 65 65 GLY C C 13 175.663 0.000 . 1 . . . . 65 Gly C . 25387 1 754 . 1 1 65 65 GLY CA C 13 46.889 0.019 . 1 . . . . 65 Gly CA . 25387 1 755 . 1 1 65 65 GLY N N 15 120.526 0.031 . 1 . . . . 65 Gly N . 25387 1 756 . 1 1 66 66 GLY H H 1 8.710 0.003 . 1 . . . . 66 Gly H . 25387 1 757 . 1 1 66 66 GLY HA2 H 1 3.611 0.001 . 2 . . . . 66 Gly HA2 . 25387 1 758 . 1 1 66 66 GLY HA3 H 1 4.197 0.001 . 2 . . . . 66 Gly HA3 . 25387 1 759 . 1 1 66 66 GLY C C 13 172.768 0.000 . 1 . . . . 66 Gly C . 25387 1 760 . 1 1 66 66 GLY CA C 13 44.922 0.085 . 1 . . . . 66 Gly CA . 25387 1 761 . 1 1 66 66 GLY N N 15 106.197 0.035 . 1 . . . . 66 Gly N . 25387 1 762 . 1 1 67 67 ALA H H 1 7.524 0.002 . 1 . . . . 67 Ala H . 25387 1 763 . 1 1 67 67 ALA HA H 1 4.724 0.002 . 1 . . . . 67 Ala HA . 25387 1 764 . 1 1 67 67 ALA HB1 H 1 1.361 0.001 . 1 . . . . 67 Ala HB1 . 25387 1 765 . 1 1 67 67 ALA HB2 H 1 1.361 0.001 . 1 . . . . 67 Ala HB2 . 25387 1 766 . 1 1 67 67 ALA HB3 H 1 1.361 0.001 . 1 . . . . 67 Ala HB3 . 25387 1 767 . 1 1 67 67 ALA C C 13 176.783 0.000 . 1 . . . . 67 Ala C . 25387 1 768 . 1 1 67 67 ALA CA C 13 50.263 0.064 . 1 . . . . 67 Ala CA . 25387 1 769 . 1 1 67 67 ALA CB C 13 21.396 0.061 . 1 . . . . 67 Ala CB . 25387 1 770 . 1 1 67 67 ALA N N 15 123.813 0.039 . 1 . . . . 67 Ala N . 25387 1 771 . 1 1 68 68 THR H H 1 9.147 0.004 . 1 . . . . 68 Thr H . 25387 1 772 . 1 1 68 68 THR HA H 1 4.561 0.004 . 1 . . . . 68 Thr HA . 25387 1 773 . 1 1 68 68 THR HB H 1 4.147 0.005 . 1 . . . . 68 Thr HB . 25387 1 774 . 1 1 68 68 THR HG21 H 1 0.835 0.004 . 1 . . . . 68 Thr HG21 . 25387 1 775 . 1 1 68 68 THR HG22 H 1 0.835 0.004 . 1 . . . . 68 Thr HG22 . 25387 1 776 . 1 1 68 68 THR HG23 H 1 0.835 0.004 . 1 . . . . 68 Thr HG23 . 25387 1 777 . 1 1 68 68 THR C C 13 175.940 0.000 . 1 . . . . 68 Thr C . 25387 1 778 . 1 1 68 68 THR CA C 13 64.020 0.086 . 1 . . . . 68 Thr CA . 25387 1 779 . 1 1 68 68 THR CB C 13 68.680 0.061 . 1 . . . . 68 Thr CB . 25387 1 780 . 1 1 68 68 THR CG2 C 13 25.272 0.097 . 1 . . . . 68 Thr CG2 . 25387 1 781 . 1 1 68 68 THR N N 15 120.443 0.032 . 1 . . . . 68 Thr N . 25387 1 782 . 1 1 69 69 VAL H H 1 8.972 0.004 . 1 . . . . 69 Val H . 25387 1 783 . 1 1 69 69 VAL HA H 1 4.632 0.006 . 1 . . . . 69 Val HA . 25387 1 784 . 1 1 69 69 VAL HB H 1 2.408 0.005 . 1 . . . . 69 Val HB . 25387 1 785 . 1 1 69 69 VAL HG11 H 1 0.960 0.006 . 2 . . . . 69 Val HG11 . 25387 1 786 . 1 1 69 69 VAL HG12 H 1 0.960 0.006 . 2 . . . . 69 Val HG12 . 25387 1 787 . 1 1 69 69 VAL HG13 H 1 0.960 0.006 . 2 . . . . 69 Val HG13 . 25387 1 788 . 1 1 69 69 VAL HG21 H 1 0.778 0.006 . 2 . . . . 69 Val HG21 . 25387 1 789 . 1 1 69 69 VAL HG22 H 1 0.778 0.006 . 2 . . . . 69 Val HG22 . 25387 1 790 . 1 1 69 69 VAL HG23 H 1 0.778 0.006 . 2 . . . . 69 Val HG23 . 25387 1 791 . 1 1 69 69 VAL C C 13 175.863 0.000 . 1 . . . . 69 Val C . 25387 1 792 . 1 1 69 69 VAL CA C 13 60.601 0.041 . 1 . . . . 69 Val CA . 25387 1 793 . 1 1 69 69 VAL CB C 13 32.407 0.030 . 1 . . . . 69 Val CB . 25387 1 794 . 1 1 69 69 VAL CG1 C 13 21.468 0.063 . 2 . . . . 69 Val CG1 . 25387 1 795 . 1 1 69 69 VAL CG2 C 13 19.719 0.051 . 2 . . . . 69 Val CG2 . 25387 1 796 . 1 1 69 69 VAL N N 15 121.002 0.021 . 1 . . . . 69 Val N . 25387 1 797 . 1 1 70 70 GLY H H 1 7.210 0.003 . 1 . . . . 70 Gly H . 25387 1 798 . 1 1 70 70 GLY HA2 H 1 4.051 0.000 . 1 . . . . 70 Gly HA2 . 25387 1 799 . 1 1 70 70 GLY HA3 H 1 4.051 0.000 . 1 . . . . 70 Gly HA3 . 25387 1 800 . 1 1 70 70 GLY C C 13 169.419 0.000 . 1 . . . . 70 Gly C . 25387 1 801 . 1 1 70 70 GLY CA C 13 45.682 0.012 . 1 . . . . 70 Gly CA . 25387 1 802 . 1 1 70 70 GLY N N 15 108.721 0.045 . 1 . . . . 70 Gly N . 25387 1 803 . 1 1 71 71 TYR H H 1 8.746 0.004 . 1 . . . . 71 Tyr H . 25387 1 804 . 1 1 71 71 TYR HA H 1 5.267 0.006 . 1 . . . . 71 Tyr HA . 25387 1 805 . 1 1 71 71 TYR HB2 H 1 3.061 0.002 . 2 . . . . 71 Tyr HB2 . 25387 1 806 . 1 1 71 71 TYR HB3 H 1 2.768 0.000 . 2 . . . . 71 Tyr HB3 . 25387 1 807 . 1 1 71 71 TYR HD1 H 1 7.143 0.004 . 3 . . . . 71 Tyr HD1 . 25387 1 808 . 1 1 71 71 TYR HD2 H 1 7.143 0.004 . 3 . . . . 71 Tyr HD2 . 25387 1 809 . 1 1 71 71 TYR HE1 H 1 6.663 0.005 . 3 . . . . 71 Tyr HE1 . 25387 1 810 . 1 1 71 71 TYR HE2 H 1 6.663 0.005 . 3 . . . . 71 Tyr HE2 . 25387 1 811 . 1 1 71 71 TYR C C 13 174.579 0.000 . 1 . . . . 71 Tyr C . 25387 1 812 . 1 1 71 71 TYR CA C 13 58.000 0.044 . 1 . . . . 71 Tyr CA . 25387 1 813 . 1 1 71 71 TYR CB C 13 40.973 0.049 . 1 . . . . 71 Tyr CB . 25387 1 814 . 1 1 71 71 TYR CD1 C 13 133.294 0.000 . 3 . . . . 71 Tyr CD1 . 25387 1 815 . 1 1 71 71 TYR CD2 C 13 133.294 0.000 . 3 . . . . 71 Tyr CD2 . 25387 1 816 . 1 1 71 71 TYR CE1 C 13 117.813 0.000 . 3 . . . . 71 Tyr CE1 . 25387 1 817 . 1 1 71 71 TYR CE2 C 13 117.813 0.000 . 3 . . . . 71 Tyr CE2 . 25387 1 818 . 1 1 71 71 TYR N N 15 120.981 0.032 . 1 . . . . 71 Tyr N . 25387 1 819 . 1 1 72 72 TYR H H 1 8.524 0.004 . 1 . . . . 72 Tyr H . 25387 1 820 . 1 1 72 72 TYR HA H 1 5.288 0.006 . 1 . . . . 72 Tyr HA . 25387 1 821 . 1 1 72 72 TYR HB2 H 1 3.433 0.003 . 2 . . . . 72 Tyr HB2 . 25387 1 822 . 1 1 72 72 TYR HB3 H 1 2.259 0.009 . 2 . . . . 72 Tyr HB3 . 25387 1 823 . 1 1 72 72 TYR HD1 H 1 6.749 0.008 . 3 . . . . 72 Tyr HD1 . 25387 1 824 . 1 1 72 72 TYR HD2 H 1 6.749 0.008 . 3 . . . . 72 Tyr HD2 . 25387 1 825 . 1 1 72 72 TYR HE1 H 1 6.531 0.000 . 3 . . . . 72 Tyr HE1 . 25387 1 826 . 1 1 72 72 TYR HE2 H 1 6.531 0.000 . 3 . . . . 72 Tyr HE2 . 25387 1 827 . 1 1 72 72 TYR C C 13 173.214 0.000 . 1 . . . . 72 Tyr C . 25387 1 828 . 1 1 72 72 TYR CA C 13 58.346 0.069 . 1 . . . . 72 Tyr CA . 25387 1 829 . 1 1 72 72 TYR CB C 13 46.155 0.026 . 1 . . . . 72 Tyr CB . 25387 1 830 . 1 1 72 72 TYR CD1 C 13 132.954 0.000 . 3 . . . . 72 Tyr CD1 . 25387 1 831 . 1 1 72 72 TYR CD2 C 13 132.954 0.000 . 3 . . . . 72 Tyr CD2 . 25387 1 832 . 1 1 72 72 TYR CE1 C 13 117.861 0.000 . 3 . . . . 72 Tyr CE1 . 25387 1 833 . 1 1 72 72 TYR CE2 C 13 117.861 0.000 . 3 . . . . 72 Tyr CE2 . 25387 1 834 . 1 1 72 72 TYR N N 15 119.753 0.035 . 1 . . . . 72 Tyr N . 25387 1 835 . 1 1 73 73 ASN H H 1 9.831 0.004 . 1 . . . . 73 Asn H . 25387 1 836 . 1 1 73 73 ASN HA H 1 6.194 0.009 . 1 . . . . 73 Asn HA . 25387 1 837 . 1 1 73 73 ASN HB2 H 1 2.807 0.009 . 2 . . . . 73 Asn HB2 . 25387 1 838 . 1 1 73 73 ASN HB3 H 1 2.564 0.005 . 2 . . . . 73 Asn HB3 . 25387 1 839 . 1 1 73 73 ASN HD21 H 1 7.461 0.000 . 1 . . . . 73 Asn HD21 . 25387 1 840 . 1 1 73 73 ASN HD22 H 1 6.704 0.000 . 1 . . . . 73 Asn HD22 . 25387 1 841 . 1 1 73 73 ASN C C 13 174.529 0.000 . 1 . . . . 73 Asn C . 25387 1 842 . 1 1 73 73 ASN CA C 13 52.446 0.053 . 1 . . . . 73 Asn CA . 25387 1 843 . 1 1 73 73 ASN CB C 13 44.236 0.046 . 1 . . . . 73 Asn CB . 25387 1 844 . 1 1 73 73 ASN N N 15 119.358 0.025 . 1 . . . . 73 Asn N . 25387 1 845 . 1 1 73 73 ASN ND2 N 15 112.576 0.000 . 1 . . . . 73 Asn ND2 . 25387 1 846 . 1 1 74 74 THR H H 1 8.839 0.004 . 1 . . . . 74 Thr H . 25387 1 847 . 1 1 74 74 THR HA H 1 5.005 0.003 . 1 . . . . 74 Thr HA . 25387 1 848 . 1 1 74 74 THR HB H 1 3.515 0.008 . 1 . . . . 74 Thr HB . 25387 1 849 . 1 1 74 74 THR HG21 H 1 0.226 0.007 . 1 . . . . 74 Thr HG21 . 25387 1 850 . 1 1 74 74 THR HG22 H 1 0.226 0.007 . 1 . . . . 74 Thr HG22 . 25387 1 851 . 1 1 74 74 THR HG23 H 1 0.226 0.007 . 1 . . . . 74 Thr HG23 . 25387 1 852 . 1 1 74 74 THR CA C 13 58.846 0.068 . 1 . . . . 74 Thr CA . 25387 1 853 . 1 1 74 74 THR CB C 13 69.284 0.018 . 1 . . . . 74 Thr CB . 25387 1 854 . 1 1 74 74 THR CG2 C 13 19.227 0.092 . 1 . . . . 74 Thr CG2 . 25387 1 855 . 1 1 74 74 THR N N 15 117.549 0.044 . 1 . . . . 74 Thr N . 25387 1 856 . 1 1 75 75 SER H H 1 8.351 0.002 . 1 . . . . 75 Ser H . 25387 1 857 . 1 1 75 75 SER HA H 1 4.577 0.000 . 1 . . . . 75 Ser HA . 25387 1 858 . 1 1 75 75 SER HB2 H 1 3.874 0.000 . 1 . . . . 75 Ser HB2 . 25387 1 859 . 1 1 75 75 SER HB3 H 1 3.874 0.000 . 1 . . . . 75 Ser HB3 . 25387 1 860 . 1 1 75 75 SER C C 13 174.815 0.000 . 1 . . . . 75 Ser C . 25387 1 861 . 1 1 75 75 SER CA C 13 58.898 0.000 . 1 . . . . 75 Ser CA . 25387 1 862 . 1 1 75 75 SER CB C 13 64.140 0.079 . 1 . . . . 75 Ser CB . 25387 1 863 . 1 1 75 75 SER N N 15 122.718 0.090 . 1 . . . . 75 Ser N . 25387 1 864 . 1 1 76 76 SER H H 1 8.110 0.004 . 1 . . . . 76 Ser H . 25387 1 865 . 1 1 76 76 SER HA H 1 4.589 0.002 . 1 . . . . 76 Ser HA . 25387 1 866 . 1 1 76 76 SER HB2 H 1 3.812 0.012 . 2 . . . . 76 Ser HB2 . 25387 1 867 . 1 1 76 76 SER HB3 H 1 3.769 0.020 . 2 . . . . 76 Ser HB3 . 25387 1 868 . 1 1 76 76 SER C C 13 173.234 0.000 . 1 . . . . 76 Ser C . 25387 1 869 . 1 1 76 76 SER CA C 13 58.370 0.103 . 1 . . . . 76 Ser CA . 25387 1 870 . 1 1 76 76 SER CB C 13 64.823 0.084 . 1 . . . . 76 Ser CB . 25387 1 871 . 1 1 76 76 SER N N 15 115.786 0.068 . 1 . . . . 76 Ser N . 25387 1 872 . 1 1 77 77 LEU H H 1 8.499 0.008 . 1 . . . . 77 Leu H . 25387 1 873 . 1 1 77 77 LEU HA H 1 4.584 0.002 . 1 . . . . 77 Leu HA . 25387 1 874 . 1 1 77 77 LEU HB2 H 1 1.609 0.003 . 1 . . . . 77 Leu HB2 . 25387 1 875 . 1 1 77 77 LEU HB3 H 1 1.609 0.003 . 1 . . . . 77 Leu HB3 . 25387 1 876 . 1 1 77 77 LEU HG H 1 1.614 0.005 . 1 . . . . 77 Leu HG . 25387 1 877 . 1 1 77 77 LEU HD11 H 1 0.826 0.005 . 2 . . . . 77 Leu HD11 . 25387 1 878 . 1 1 77 77 LEU HD12 H 1 0.826 0.005 . 2 . . . . 77 Leu HD12 . 25387 1 879 . 1 1 77 77 LEU HD13 H 1 0.826 0.005 . 2 . . . . 77 Leu HD13 . 25387 1 880 . 1 1 77 77 LEU HD21 H 1 0.823 0.002 . 2 . . . . 77 Leu HD21 . 25387 1 881 . 1 1 77 77 LEU HD22 H 1 0.823 0.002 . 2 . . . . 77 Leu HD22 . 25387 1 882 . 1 1 77 77 LEU HD23 H 1 0.823 0.002 . 2 . . . . 77 Leu HD23 . 25387 1 883 . 1 1 77 77 LEU CA C 13 53.913 0.008 . 1 . . . . 77 Leu CA . 25387 1 884 . 1 1 77 77 LEU CB C 13 42.771 0.000 . 1 . . . . 77 Leu CB . 25387 1 885 . 1 1 77 77 LEU CG C 13 27.050 0.023 . 1 . . . . 77 Leu CG . 25387 1 886 . 1 1 77 77 LEU CD1 C 13 23.392 0.000 . 2 . . . . 77 Leu CD1 . 25387 1 887 . 1 1 77 77 LEU CD2 C 13 23.524 0.071 . 2 . . . . 77 Leu CD2 . 25387 1 888 . 1 1 77 77 LEU N N 15 123.940 0.051 . 1 . . . . 77 Leu N . 25387 1 889 . 1 1 78 78 SER HA H 1 4.357 0.004 . 1 . . . . 78 Ser HA . 25387 1 890 . 1 1 78 78 SER HB2 H 1 3.680 0.007 . 2 . . . . 78 Ser HB2 . 25387 1 891 . 1 1 78 78 SER HB3 H 1 4.005 0.001 . 2 . . . . 78 Ser HB3 . 25387 1 892 . 1 1 78 78 SER C C 13 177.340 0.000 . 1 . . . . 78 Ser C . 25387 1 893 . 1 1 78 78 SER CA C 13 57.828 0.072 . 1 . . . . 78 Ser CA . 25387 1 894 . 1 1 78 78 SER CB C 13 64.413 0.082 . 1 . . . . 78 Ser CB . 25387 1 895 . 1 1 79 79 VAL H H 1 8.534 0.006 . 1 . . . . 79 Val H . 25387 1 896 . 1 1 79 79 VAL HA H 1 3.836 0.002 . 1 . . . . 79 Val HA . 25387 1 897 . 1 1 79 79 VAL HB H 1 2.080 0.003 . 1 . . . . 79 Val HB . 25387 1 898 . 1 1 79 79 VAL HG11 H 1 0.958 0.005 . 2 . . . . 79 Val HG11 . 25387 1 899 . 1 1 79 79 VAL HG12 H 1 0.958 0.005 . 2 . . . . 79 Val HG12 . 25387 1 900 . 1 1 79 79 VAL HG13 H 1 0.958 0.005 . 2 . . . . 79 Val HG13 . 25387 1 901 . 1 1 79 79 VAL HG21 H 1 1.017 0.003 . 2 . . . . 79 Val HG21 . 25387 1 902 . 1 1 79 79 VAL HG22 H 1 1.017 0.003 . 2 . . . . 79 Val HG22 . 25387 1 903 . 1 1 79 79 VAL HG23 H 1 1.017 0.003 . 2 . . . . 79 Val HG23 . 25387 1 904 . 1 1 79 79 VAL C C 13 178.652 0.000 . 1 . . . . 79 Val C . 25387 1 905 . 1 1 79 79 VAL CA C 13 65.147 0.036 . 1 . . . . 79 Val CA . 25387 1 906 . 1 1 79 79 VAL CB C 13 31.905 0.019 . 1 . . . . 79 Val CB . 25387 1 907 . 1 1 79 79 VAL CG1 C 13 21.032 0.014 . 2 . . . . 79 Val CG1 . 25387 1 908 . 1 1 79 79 VAL CG2 C 13 21.279 0.054 . 2 . . . . 79 Val CG2 . 25387 1 909 . 1 1 79 79 VAL N N 15 122.782 0.062 . 1 . . . . 79 Val N . 25387 1 910 . 1 1 80 80 GLY H H 1 8.618 0.002 . 1 . . . . 80 Gly H . 25387 1 911 . 1 1 80 80 GLY HA2 H 1 3.909 0.003 . 2 . . . . 80 Gly HA2 . 25387 1 912 . 1 1 80 80 GLY HA3 H 1 3.909 0.003 . 2 . . . . 80 Gly HA3 . 25387 1 913 . 1 1 80 80 GLY C C 13 175.504 0.000 . 1 . . . . 80 Gly C . 25387 1 914 . 1 1 80 80 GLY CA C 13 46.346 0.061 . 1 . . . . 80 Gly CA . 25387 1 915 . 1 1 80 80 GLY N N 15 109.358 0.039 . 1 . . . . 80 Gly N . 25387 1 916 . 1 1 81 81 LEU H H 1 7.650 0.003 . 1 . . . . 81 Leu H . 25387 1 917 . 1 1 81 81 LEU HA H 1 4.124 0.008 . 1 . . . . 81 Leu HA . 25387 1 918 . 1 1 81 81 LEU HB2 H 1 1.379 0.007 . 2 . . . . 81 Leu HB2 . 25387 1 919 . 1 1 81 81 LEU HB3 H 1 1.831 0.003 . 2 . . . . 81 Leu HB3 . 25387 1 920 . 1 1 81 81 LEU HG H 1 1.548 0.008 . 1 . . . . 81 Leu HG . 25387 1 921 . 1 1 81 81 LEU HD11 H 1 0.918 0.005 . 2 . . . . 81 Leu HD11 . 25387 1 922 . 1 1 81 81 LEU HD12 H 1 0.918 0.005 . 2 . . . . 81 Leu HD12 . 25387 1 923 . 1 1 81 81 LEU HD13 H 1 0.918 0.005 . 2 . . . . 81 Leu HD13 . 25387 1 924 . 1 1 81 81 LEU HD21 H 1 0.763 0.007 . 2 . . . . 81 Leu HD21 . 25387 1 925 . 1 1 81 81 LEU HD22 H 1 0.763 0.007 . 2 . . . . 81 Leu HD22 . 25387 1 926 . 1 1 81 81 LEU HD23 H 1 0.763 0.007 . 2 . . . . 81 Leu HD23 . 25387 1 927 . 1 1 81 81 LEU C C 13 177.446 0.000 . 1 . . . . 81 Leu C . 25387 1 928 . 1 1 81 81 LEU CA C 13 55.892 0.049 . 1 . . . . 81 Leu CA . 25387 1 929 . 1 1 81 81 LEU CB C 13 42.811 0.070 . 1 . . . . 81 Leu CB . 25387 1 930 . 1 1 81 81 LEU CG C 13 27.277 0.019 . 1 . . . . 81 Leu CG . 25387 1 931 . 1 1 81 81 LEU CD1 C 13 26.079 0.064 . 2 . . . . 81 Leu CD1 . 25387 1 932 . 1 1 81 81 LEU CD2 C 13 24.145 0.050 . 2 . . . . 81 Leu CD2 . 25387 1 933 . 1 1 81 81 LEU N N 15 120.389 0.021 . 1 . . . . 81 Leu N . 25387 1 934 . 1 1 82 82 GLN H H 1 7.832 0.005 . 1 . . . . 82 Gln H . 25387 1 935 . 1 1 82 82 GLN HA H 1 4.115 0.001 . 1 . . . . 82 Gln HA . 25387 1 936 . 1 1 82 82 GLN HB2 H 1 2.179 0.002 . 2 . . . . 82 Gln HB2 . 25387 1 937 . 1 1 82 82 GLN HB3 H 1 2.033 0.004 . 2 . . . . 82 Gln HB3 . 25387 1 938 . 1 1 82 82 GLN HG2 H 1 2.451 0.004 . 2 . . . . 82 Gln HG2 . 25387 1 939 . 1 1 82 82 GLN HG3 H 1 2.288 0.002 . 2 . . . . 82 Gln HG3 . 25387 1 940 . 1 1 82 82 GLN C C 13 176.106 0.000 . 1 . . . . 82 Gln C . 25387 1 941 . 1 1 82 82 GLN CA C 13 56.760 0.081 . 1 . . . . 82 Gln CA . 25387 1 942 . 1 1 82 82 GLN CB C 13 29.401 0.134 . 1 . . . . 82 Gln CB . 25387 1 943 . 1 1 82 82 GLN CG C 13 34.228 0.009 . 1 . . . . 82 Gln CG . 25387 1 944 . 1 1 82 82 GLN N N 15 118.877 0.024 . 1 . . . . 82 Gln N . 25387 1 945 . 1 1 83 83 ALA H H 1 7.528 0.006 . 1 . . . . 83 Ala H . 25387 1 946 . 1 1 83 83 ALA HA H 1 4.295 0.003 . 1 . . . . 83 Ala HA . 25387 1 947 . 1 1 83 83 ALA HB1 H 1 1.403 0.010 . 1 . . . . 83 Ala HB1 . 25387 1 948 . 1 1 83 83 ALA HB2 H 1 1.403 0.010 . 1 . . . . 83 Ala HB2 . 25387 1 949 . 1 1 83 83 ALA HB3 H 1 1.403 0.010 . 1 . . . . 83 Ala HB3 . 25387 1 950 . 1 1 83 83 ALA C C 13 178.343 0.000 . 1 . . . . 83 Ala C . 25387 1 951 . 1 1 83 83 ALA CA C 13 52.770 0.095 . 1 . . . . 83 Ala CA . 25387 1 952 . 1 1 83 83 ALA CB C 13 19.417 0.065 . 1 . . . . 83 Ala CB . 25387 1 953 . 1 1 83 83 ALA N N 15 122.762 0.052 . 1 . . . . 83 Ala N . 25387 1 954 . 1 1 84 84 GLY H H 1 8.480 0.003 . 1 . . . . 84 Gly H . 25387 1 955 . 1 1 84 84 GLY HA2 H 1 4.130 0.010 . 2 . . . . 84 Gly HA2 . 25387 1 956 . 1 1 84 84 GLY HA3 H 1 3.787 0.002 . 2 . . . . 84 Gly HA3 . 25387 1 957 . 1 1 84 84 GLY C C 13 174.328 0.000 . 1 . . . . 84 Gly C . 25387 1 958 . 1 1 84 84 GLY CA C 13 45.520 0.025 . 1 . . . . 84 Gly CA . 25387 1 959 . 1 1 84 84 GLY N N 15 109.936 0.032 . 1 . . . . 84 Gly N . 25387 1 960 . 1 1 85 85 ALA H H 1 8.372 0.003 . 1 . . . . 85 Ala H . 25387 1 961 . 1 1 85 85 ALA HA H 1 4.283 0.003 . 1 . . . . 85 Ala HA . 25387 1 962 . 1 1 85 85 ALA HB1 H 1 1.420 0.007 . 1 . . . . 85 Ala HB1 . 25387 1 963 . 1 1 85 85 ALA HB2 H 1 1.420 0.007 . 1 . . . . 85 Ala HB2 . 25387 1 964 . 1 1 85 85 ALA HB3 H 1 1.420 0.007 . 1 . . . . 85 Ala HB3 . 25387 1 965 . 1 1 85 85 ALA C C 13 177.520 0.000 . 1 . . . . 85 Ala C . 25387 1 966 . 1 1 85 85 ALA CA C 13 52.696 0.064 . 1 . . . . 85 Ala CA . 25387 1 967 . 1 1 85 85 ALA CB C 13 19.328 0.070 . 1 . . . . 85 Ala CB . 25387 1 968 . 1 1 85 85 ALA N N 15 124.513 0.036 . 1 . . . . 85 Ala N . 25387 1 969 . 1 1 86 86 GLN H H 1 8.281 0.002 . 1 . . . . 86 Gln H . 25387 1 970 . 1 1 86 86 GLN HA H 1 4.366 0.003 . 1 . . . . 86 Gln HA . 25387 1 971 . 1 1 86 86 GLN HB2 H 1 2.022 0.006 . 2 . . . . 86 Gln HB2 . 25387 1 972 . 1 1 86 86 GLN HB3 H 1 2.160 0.003 . 2 . . . . 86 Gln HB3 . 25387 1 973 . 1 1 86 86 GLN HG2 H 1 2.425 0.005 . 1 . . . . 86 Gln HG2 . 25387 1 974 . 1 1 86 86 GLN HG3 H 1 2.425 0.005 . 1 . . . . 86 Gln HG3 . 25387 1 975 . 1 1 86 86 GLN C C 13 175.612 0.000 . 1 . . . . 86 Gln C . 25387 1 976 . 1 1 86 86 GLN CA C 13 55.910 0.042 . 1 . . . . 86 Gln CA . 25387 1 977 . 1 1 86 86 GLN CB C 13 29.870 0.092 . 1 . . . . 86 Gln CB . 25387 1 978 . 1 1 86 86 GLN CG C 13 34.027 0.051 . 1 . . . . 86 Gln CG . 25387 1 979 . 1 1 86 86 GLN N N 15 119.234 0.023 . 1 . . . . 86 Gln N . 25387 1 980 . 1 1 87 87 SER H H 1 8.238 0.002 . 1 . . . . 87 Ser H . 25387 1 981 . 1 1 87 87 SER HA H 1 4.580 0.000 . 1 . . . . 87 Ser HA . 25387 1 982 . 1 1 87 87 SER HB2 H 1 3.839 0.000 . 1 . . . . 87 Ser HB2 . 25387 1 983 . 1 1 87 87 SER HB3 H 1 3.839 0.000 . 1 . . . . 87 Ser HB3 . 25387 1 984 . 1 1 87 87 SER C C 13 174.132 0.000 . 1 . . . . 87 Ser C . 25387 1 985 . 1 1 87 87 SER CA C 13 58.781 0.021 . 1 . . . . 87 Ser CA . 25387 1 986 . 1 1 87 87 SER CB C 13 63.689 0.060 . 1 . . . . 87 Ser CB . 25387 1 987 . 1 1 87 87 SER N N 15 117.485 0.022 . 1 . . . . 87 Ser N . 25387 1 988 . 1 1 88 88 LYS H H 1 8.333 0.008 . 1 . . . . 88 Lys H . 25387 1 989 . 1 1 88 88 LYS HA H 1 4.892 0.003 . 1 . . . . 88 Lys HA . 25387 1 990 . 1 1 88 88 LYS HB2 H 1 1.492 0.006 . 2 . . . . 88 Lys HB2 . 25387 1 991 . 1 1 88 88 LYS HB3 H 1 1.572 0.006 . 2 . . . . 88 Lys HB3 . 25387 1 992 . 1 1 88 88 LYS HG2 H 1 1.267 0.002 . 2 . . . . 88 Lys HG2 . 25387 1 993 . 1 1 88 88 LYS HG3 H 1 1.431 0.007 . 2 . . . . 88 Lys HG3 . 25387 1 994 . 1 1 88 88 LYS HD2 H 1 1.595 0.000 . 1 . . . . 88 Lys HD2 . 25387 1 995 . 1 1 88 88 LYS HD3 H 1 1.595 0.000 . 1 . . . . 88 Lys HD3 . 25387 1 996 . 1 1 88 88 LYS HE2 H 1 3.006 0.000 . 2 . . . . 88 Lys HE2 . 25387 1 997 . 1 1 88 88 LYS HE3 H 1 3.006 0.000 . 2 . . . . 88 Lys HE3 . 25387 1 998 . 1 1 88 88 LYS C C 13 173.341 0.000 . 1 . . . . 88 Lys C . 25387 1 999 . 1 1 88 88 LYS CA C 13 55.565 0.060 . 1 . . . . 88 Lys CA . 25387 1 1000 . 1 1 88 88 LYS CB C 13 35.727 0.138 . 1 . . . . 88 Lys CB . 25387 1 1001 . 1 1 88 88 LYS CG C 13 24.866 0.030 . 1 . . . . 88 Lys CG . 25387 1 1002 . 1 1 88 88 LYS CD C 13 30.045 0.000 . 1 . . . . 88 Lys CD . 25387 1 1003 . 1 1 88 88 LYS N N 15 122.692 0.033 . 1 . . . . 88 Lys N . 25387 1 1004 . 1 1 89 89 ALA H H 1 8.661 0.004 . 1 . . . . 89 Ala H . 25387 1 1005 . 1 1 89 89 ALA HA H 1 5.158 0.007 . 1 . . . . 89 Ala HA . 25387 1 1006 . 1 1 89 89 ALA HB1 H 1 1.347 0.006 . 1 . . . . 89 Ala HB1 . 25387 1 1007 . 1 1 89 89 ALA HB2 H 1 1.347 0.006 . 1 . . . . 89 Ala HB2 . 25387 1 1008 . 1 1 89 89 ALA HB3 H 1 1.347 0.006 . 1 . . . . 89 Ala HB3 . 25387 1 1009 . 1 1 89 89 ALA C C 13 176.874 0.000 . 1 . . . . 89 Ala C . 25387 1 1010 . 1 1 89 89 ALA CA C 13 50.036 0.066 . 1 . . . . 89 Ala CA . 25387 1 1011 . 1 1 89 89 ALA CB C 13 22.132 0.065 . 1 . . . . 89 Ala CB . 25387 1 1012 . 1 1 89 89 ALA N N 15 124.334 0.047 . 1 . . . . 89 Ala N . 25387 1 1013 . 1 1 90 90 ILE H H 1 8.643 0.004 . 1 . . . . 90 Ile H . 25387 1 1014 . 1 1 90 90 ILE HA H 1 4.967 0.007 . 1 . . . . 90 Ile HA . 25387 1 1015 . 1 1 90 90 ILE HB H 1 1.709 0.003 . 1 . . . . 90 Ile HB . 25387 1 1016 . 1 1 90 90 ILE HG12 H 1 0.900 0.007 . 2 . . . . 90 Ile HG12 . 25387 1 1017 . 1 1 90 90 ILE HG13 H 1 1.545 0.003 . 2 . . . . 90 Ile HG13 . 25387 1 1018 . 1 1 90 90 ILE HG21 H 1 0.454 0.008 . 1 . . . . 90 Ile HG21 . 25387 1 1019 . 1 1 90 90 ILE HG22 H 1 0.454 0.008 . 1 . . . . 90 Ile HG22 . 25387 1 1020 . 1 1 90 90 ILE HG23 H 1 0.454 0.008 . 1 . . . . 90 Ile HG23 . 25387 1 1021 . 1 1 90 90 ILE HD11 H 1 0.756 0.003 . 1 . . . . 90 Ile HD11 . 25387 1 1022 . 1 1 90 90 ILE HD12 H 1 0.756 0.003 . 1 . . . . 90 Ile HD12 . 25387 1 1023 . 1 1 90 90 ILE HD13 H 1 0.756 0.003 . 1 . . . . 90 Ile HD13 . 25387 1 1024 . 1 1 90 90 ILE C C 13 174.184 0.000 . 1 . . . . 90 Ile C . 25387 1 1025 . 1 1 90 90 ILE CA C 13 60.077 0.035 . 1 . . . . 90 Ile CA . 25387 1 1026 . 1 1 90 90 ILE CB C 13 41.504 0.048 . 1 . . . . 90 Ile CB . 25387 1 1027 . 1 1 90 90 ILE CG1 C 13 27.255 0.027 . 1 . . . . 90 Ile CG1 . 25387 1 1028 . 1 1 90 90 ILE CG2 C 13 18.965 0.037 . 1 . . . . 90 Ile CG2 . 25387 1 1029 . 1 1 90 90 ILE CD1 C 13 14.573 0.050 . 1 . . . . 90 Ile CD1 . 25387 1 1030 . 1 1 90 90 ILE N N 15 119.133 0.025 . 1 . . . . 90 Ile N . 25387 1 1031 . 1 1 91 91 VAL H H 1 9.121 0.004 . 1 . . . . 91 Val H . 25387 1 1032 . 1 1 91 91 VAL HA H 1 4.990 0.007 . 1 . . . . 91 Val HA . 25387 1 1033 . 1 1 91 91 VAL HB H 1 1.933 0.003 . 1 . . . . 91 Val HB . 25387 1 1034 . 1 1 91 91 VAL HG11 H 1 0.678 0.003 . 2 . . . . 91 Val HG11 . 25387 1 1035 . 1 1 91 91 VAL HG12 H 1 0.678 0.003 . 2 . . . . 91 Val HG12 . 25387 1 1036 . 1 1 91 91 VAL HG13 H 1 0.678 0.003 . 2 . . . . 91 Val HG13 . 25387 1 1037 . 1 1 91 91 VAL HG21 H 1 0.741 0.000 . 2 . . . . 91 Val HG21 . 25387 1 1038 . 1 1 91 91 VAL HG22 H 1 0.741 0.000 . 2 . . . . 91 Val HG22 . 25387 1 1039 . 1 1 91 91 VAL HG23 H 1 0.741 0.000 . 2 . . . . 91 Val HG23 . 25387 1 1040 . 1 1 91 91 VAL C C 13 174.789 0.000 . 1 . . . . 91 Val C . 25387 1 1041 . 1 1 91 91 VAL CA C 13 60.362 0.081 . 1 . . . . 91 Val CA . 25387 1 1042 . 1 1 91 91 VAL CB C 13 34.719 0.050 . 1 . . . . 91 Val CB . 25387 1 1043 . 1 1 91 91 VAL CG1 C 13 21.443 0.048 . 2 . . . . 91 Val CG1 . 25387 1 1044 . 1 1 91 91 VAL CG2 C 13 20.067 0.036 . 2 . . . . 91 Val CG2 . 25387 1 1045 . 1 1 91 91 VAL N N 15 127.536 0.035 . 1 . . . . 91 Val N . 25387 1 1046 . 1 1 92 92 PHE H H 1 9.769 0.003 . 1 . . . . 92 Phe H . 25387 1 1047 . 1 1 92 92 PHE HA H 1 4.866 0.008 . 1 . . . . 92 Phe HA . 25387 1 1048 . 1 1 92 92 PHE HB2 H 1 2.042 0.007 . 2 . . . . 92 Phe HB2 . 25387 1 1049 . 1 1 92 92 PHE HB3 H 1 2.856 0.005 . 2 . . . . 92 Phe HB3 . 25387 1 1050 . 1 1 92 92 PHE HD1 H 1 7.056 0.006 . 3 . . . . 92 Phe HD1 . 25387 1 1051 . 1 1 92 92 PHE HD2 H 1 7.056 0.006 . 3 . . . . 92 Phe HD2 . 25387 1 1052 . 1 1 92 92 PHE HE1 H 1 7.124 0.005 . 3 . . . . 92 Phe HE1 . 25387 1 1053 . 1 1 92 92 PHE HE2 H 1 7.124 0.005 . 3 . . . . 92 Phe HE2 . 25387 1 1054 . 1 1 92 92 PHE HZ H 1 6.947 0.007 . 1 . . . . 92 Phe HZ . 25387 1 1055 . 1 1 92 92 PHE C C 13 174.086 0.000 . 1 . . . . 92 Phe C . 25387 1 1056 . 1 1 92 92 PHE CA C 13 56.952 0.038 . 1 . . . . 92 Phe CA . 25387 1 1057 . 1 1 92 92 PHE CB C 13 41.417 0.082 . 1 . . . . 92 Phe CB . 25387 1 1058 . 1 1 92 92 PHE CD1 C 13 132.243 0.012 . 3 . . . . 92 Phe CD1 . 25387 1 1059 . 1 1 92 92 PHE CD2 C 13 132.243 0.012 . 3 . . . . 92 Phe CD2 . 25387 1 1060 . 1 1 92 92 PHE CE1 C 13 130.788 0.000 . 3 . . . . 92 Phe CE1 . 25387 1 1061 . 1 1 92 92 PHE CE2 C 13 130.788 0.000 . 3 . . . . 92 Phe CE2 . 25387 1 1062 . 1 1 92 92 PHE CZ C 13 128.083 0.016 . 1 . . . . 92 Phe CZ . 25387 1 1063 . 1 1 92 92 PHE N N 15 125.071 0.039 . 1 . . . . 92 Phe N . 25387 1 1064 . 1 1 93 93 LEU H H 1 9.517 0.019 . 1 . . . . 93 Leu H . 25387 1 1065 . 1 1 93 93 LEU HA H 1 4.815 0.005 . 1 . . . . 93 Leu HA . 25387 1 1066 . 1 1 93 93 LEU HB2 H 1 1.621 0.006 . 2 . . . . 93 Leu HB2 . 25387 1 1067 . 1 1 93 93 LEU HB3 H 1 1.814 0.009 . 2 . . . . 93 Leu HB3 . 25387 1 1068 . 1 1 93 93 LEU HG H 1 1.473 0.002 . 1 . . . . 93 Leu HG . 25387 1 1069 . 1 1 93 93 LEU HD11 H 1 0.852 0.006 . 2 . . . . 93 Leu HD11 . 25387 1 1070 . 1 1 93 93 LEU HD12 H 1 0.852 0.006 . 2 . . . . 93 Leu HD12 . 25387 1 1071 . 1 1 93 93 LEU HD13 H 1 0.852 0.006 . 2 . . . . 93 Leu HD13 . 25387 1 1072 . 1 1 93 93 LEU HD21 H 1 0.741 0.004 . 2 . . . . 93 Leu HD21 . 25387 1 1073 . 1 1 93 93 LEU HD22 H 1 0.741 0.004 . 2 . . . . 93 Leu HD22 . 25387 1 1074 . 1 1 93 93 LEU HD23 H 1 0.741 0.004 . 2 . . . . 93 Leu HD23 . 25387 1 1075 . 1 1 93 93 LEU C C 13 175.001 0.000 . 1 . . . . 93 Leu C . 25387 1 1076 . 1 1 93 93 LEU CA C 13 53.668 0.029 . 1 . . . . 93 Leu CA . 25387 1 1077 . 1 1 93 93 LEU CB C 13 42.827 0.077 . 1 . . . . 93 Leu CB . 25387 1 1078 . 1 1 93 93 LEU CG C 13 27.289 0.000 . 1 . . . . 93 Leu CG . 25387 1 1079 . 1 1 93 93 LEU CD1 C 13 27.134 0.010 . 2 . . . . 93 Leu CD1 . 25387 1 1080 . 1 1 93 93 LEU CD2 C 13 26.136 0.073 . 2 . . . . 93 Leu CD2 . 25387 1 1081 . 1 1 93 93 LEU N N 15 123.098 0.035 . 1 . . . . 93 Leu N . 25387 1 1082 . 1 1 94 94 PHE H H 1 8.566 0.003 . 1 . . . . 94 Phe H . 25387 1 1083 . 1 1 94 94 PHE HA H 1 4.676 0.008 . 1 . . . . 94 Phe HA . 25387 1 1084 . 1 1 94 94 PHE HB2 H 1 2.759 0.003 . 1 . . . . 94 Phe HB2 . 25387 1 1085 . 1 1 94 94 PHE HB3 H 1 2.759 0.003 . 1 . . . . 94 Phe HB3 . 25387 1 1086 . 1 1 94 94 PHE HD1 H 1 6.642 0.007 . 3 . . . . 94 Phe HD1 . 25387 1 1087 . 1 1 94 94 PHE HD2 H 1 6.642 0.007 . 3 . . . . 94 Phe HD2 . 25387 1 1088 . 1 1 94 94 PHE HE1 H 1 6.371 0.009 . 3 . . . . 94 Phe HE1 . 25387 1 1089 . 1 1 94 94 PHE HE2 H 1 6.371 0.009 . 3 . . . . 94 Phe HE2 . 25387 1 1090 . 1 1 94 94 PHE HZ H 1 4.992 0.004 . 1 . . . . 94 Phe HZ . 25387 1 1091 . 1 1 94 94 PHE C C 13 175.695 0.000 . 1 . . . . 94 Phe C . 25387 1 1092 . 1 1 94 94 PHE CA C 13 58.050 0.036 . 1 . . . . 94 Phe CA . 25387 1 1093 . 1 1 94 94 PHE CB C 13 39.440 0.048 . 1 . . . . 94 Phe CB . 25387 1 1094 . 1 1 94 94 PHE CD1 C 13 130.631 0.036 . 3 . . . . 94 Phe CD1 . 25387 1 1095 . 1 1 94 94 PHE CD2 C 13 130.631 0.036 . 3 . . . . 94 Phe CD2 . 25387 1 1096 . 1 1 94 94 PHE CE1 C 13 130.856 0.092 . 3 . . . . 94 Phe CE1 . 25387 1 1097 . 1 1 94 94 PHE CE2 C 13 130.856 0.092 . 3 . . . . 94 Phe CE2 . 25387 1 1098 . 1 1 94 94 PHE CZ C 13 129.020 0.001 . 1 . . . . 94 Phe CZ . 25387 1 1099 . 1 1 94 94 PHE N N 15 122.552 0.109 . 1 . . . . 94 Phe N . 25387 1 1100 . 1 1 95 95 MET H H 1 9.621 0.003 . 1 . . . . 95 Met H . 25387 1 1101 . 1 1 95 95 MET HA H 1 4.658 0.004 . 1 . . . . 95 Met HA . 25387 1 1102 . 1 1 95 95 MET HB2 H 1 2.341 0.004 . 2 . . . . 95 Met HB2 . 25387 1 1103 . 1 1 95 95 MET HB3 H 1 2.250 0.000 . 2 . . . . 95 Met HB3 . 25387 1 1104 . 1 1 95 95 MET HG2 H 1 2.413 0.001 . 2 . . . . 95 Met HG2 . 25387 1 1105 . 1 1 95 95 MET HG3 H 1 2.912 0.006 . 2 . . . . 95 Met HG3 . 25387 1 1106 . 1 1 95 95 MET C C 13 176.998 0.000 . 1 . . . . 95 Met C . 25387 1 1107 . 1 1 95 95 MET CA C 13 55.285 0.068 . 1 . . . . 95 Met CA . 25387 1 1108 . 1 1 95 95 MET CB C 13 30.549 0.083 . 1 . . . . 95 Met CB . 25387 1 1109 . 1 1 95 95 MET CG C 13 31.741 0.042 . 1 . . . . 95 Met CG . 25387 1 1110 . 1 1 95 95 MET N N 15 123.474 0.035 . 1 . . . . 95 Met N . 25387 1 1111 . 1 1 96 96 THR H H 1 7.462 0.007 . 1 . . . . 96 Thr H . 25387 1 1112 . 1 1 96 96 THR HA H 1 4.865 0.007 . 1 . . . . 96 Thr HA . 25387 1 1113 . 1 1 96 96 THR HB H 1 4.686 0.002 . 1 . . . . 96 Thr HB . 25387 1 1114 . 1 1 96 96 THR HG21 H 1 1.270 0.006 . 1 . . . . 96 Thr HG21 . 25387 1 1115 . 1 1 96 96 THR HG22 H 1 1.270 0.006 . 1 . . . . 96 Thr HG22 . 25387 1 1116 . 1 1 96 96 THR HG23 H 1 1.270 0.006 . 1 . . . . 96 Thr HG23 . 25387 1 1117 . 1 1 96 96 THR C C 13 174.312 0.000 . 1 . . . . 96 Thr C . 25387 1 1118 . 1 1 96 96 THR CA C 13 58.028 0.101 . 1 . . . . 96 Thr CA . 25387 1 1119 . 1 1 96 96 THR CB C 13 71.372 0.091 . 1 . . . . 96 Thr CB . 25387 1 1120 . 1 1 96 96 THR CG2 C 13 22.168 0.002 . 1 . . . . 96 Thr CG2 . 25387 1 1121 . 1 1 96 96 THR N N 15 106.704 0.069 . 1 . . . . 96 Thr N . 25387 1 1122 . 1 1 97 97 GLN H H 1 9.389 0.005 . 1 . . . . 97 Gln H . 25387 1 1123 . 1 1 97 97 GLN HA H 1 3.722 0.007 . 1 . . . . 97 Gln HA . 25387 1 1124 . 1 1 97 97 GLN HB2 H 1 2.069 0.006 . 2 . . . . 97 Gln HB2 . 25387 1 1125 . 1 1 97 97 GLN HB3 H 1 2.204 0.009 . 2 . . . . 97 Gln HB3 . 25387 1 1126 . 1 1 97 97 GLN HG2 H 1 2.479 0.009 . 1 . . . . 97 Gln HG2 . 25387 1 1127 . 1 1 97 97 GLN HG3 H 1 2.479 0.009 . 1 . . . . 97 Gln HG3 . 25387 1 1128 . 1 1 97 97 GLN HE21 H 1 6.702 0.000 . 1 . . . . 97 Gln HE21 . 25387 1 1129 . 1 1 97 97 GLN HE22 H 1 8.220 0.000 . 1 . . . . 97 Gln HE22 . 25387 1 1130 . 1 1 97 97 GLN C C 13 177.538 0.000 . 1 . . . . 97 Gln C . 25387 1 1131 . 1 1 97 97 GLN CA C 13 58.147 0.067 . 1 . . . . 97 Gln CA . 25387 1 1132 . 1 1 97 97 GLN CB C 13 28.075 0.062 . 1 . . . . 97 Gln CB . 25387 1 1133 . 1 1 97 97 GLN CG C 13 32.924 0.065 . 1 . . . . 97 Gln CG . 25387 1 1134 . 1 1 97 97 GLN N N 15 124.995 0.037 . 1 . . . . 97 Gln N . 25387 1 1135 . 1 1 97 97 GLN NE2 N 15 116.389 0.003 . 1 . . . . 97 Gln NE2 . 25387 1 1136 . 1 1 98 98 ASP H H 1 8.672 0.003 . 1 . . . . 98 Asp H . 25387 1 1137 . 1 1 98 98 ASP HA H 1 4.402 0.001 . 1 . . . . 98 Asp HA . 25387 1 1138 . 1 1 98 98 ASP HB2 H 1 2.620 0.002 . 2 . . . . 98 Asp HB2 . 25387 1 1139 . 1 1 98 98 ASP HB3 H 1 2.699 0.004 . 2 . . . . 98 Asp HB3 . 25387 1 1140 . 1 1 98 98 ASP C C 13 178.254 0.000 . 1 . . . . 98 Asp C . 25387 1 1141 . 1 1 98 98 ASP CA C 13 57.346 0.045 . 1 . . . . 98 Asp CA . 25387 1 1142 . 1 1 98 98 ASP CB C 13 41.035 0.041 . 1 . . . . 98 Asp CB . 25387 1 1143 . 1 1 98 98 ASP N N 15 117.480 0.032 . 1 . . . . 98 Asp N . 25387 1 1144 . 1 1 99 99 ALA H H 1 7.914 0.003 . 1 . . . . 99 Ala H . 25387 1 1145 . 1 1 99 99 ALA HA H 1 4.198 0.004 . 1 . . . . 99 Ala HA . 25387 1 1146 . 1 1 99 99 ALA HB1 H 1 1.634 0.008 . 1 . . . . 99 Ala HB1 . 25387 1 1147 . 1 1 99 99 ALA HB2 H 1 1.634 0.008 . 1 . . . . 99 Ala HB2 . 25387 1 1148 . 1 1 99 99 ALA HB3 H 1 1.634 0.008 . 1 . . . . 99 Ala HB3 . 25387 1 1149 . 1 1 99 99 ALA C C 13 180.557 0.000 . 1 . . . . 99 Ala C . 25387 1 1150 . 1 1 99 99 ALA CA C 13 55.175 0.060 . 1 . . . . 99 Ala CA . 25387 1 1151 . 1 1 99 99 ALA CB C 13 19.218 0.064 . 1 . . . . 99 Ala CB . 25387 1 1152 . 1 1 99 99 ALA N N 15 121.835 0.047 . 1 . . . . 99 Ala N . 25387 1 1153 . 1 1 100 100 LEU H H 1 7.593 0.002 . 1 . . . . 100 Leu H . 25387 1 1154 . 1 1 100 100 LEU HA H 1 3.406 0.006 . 1 . . . . 100 Leu HA . 25387 1 1155 . 1 1 100 100 LEU HB2 H 1 1.158 0.006 . 2 . . . . 100 Leu HB2 . 25387 1 1156 . 1 1 100 100 LEU HB3 H 1 2.008 0.006 . 2 . . . . 100 Leu HB3 . 25387 1 1157 . 1 1 100 100 LEU HG H 1 0.817 0.006 . 1 . . . . 100 Leu HG . 25387 1 1158 . 1 1 100 100 LEU HD11 H 1 0.439 0.007 . 2 . . . . 100 Leu HD11 . 25387 1 1159 . 1 1 100 100 LEU HD12 H 1 0.439 0.007 . 2 . . . . 100 Leu HD12 . 25387 1 1160 . 1 1 100 100 LEU HD13 H 1 0.439 0.007 . 2 . . . . 100 Leu HD13 . 25387 1 1161 . 1 1 100 100 LEU HD21 H 1 1.379 0.006 . 2 . . . . 100 Leu HD21 . 25387 1 1162 . 1 1 100 100 LEU HD22 H 1 1.379 0.006 . 2 . . . . 100 Leu HD22 . 25387 1 1163 . 1 1 100 100 LEU HD23 H 1 1.379 0.006 . 2 . . . . 100 Leu HD23 . 25387 1 1164 . 1 1 100 100 LEU C C 13 177.531 0.000 . 1 . . . . 100 Leu C . 25387 1 1165 . 1 1 100 100 LEU CA C 13 57.494 0.047 . 1 . . . . 100 Leu CA . 25387 1 1166 . 1 1 100 100 LEU CB C 13 41.814 0.051 . 1 . . . . 100 Leu CB . 25387 1 1167 . 1 1 100 100 LEU CG C 13 27.193 0.028 . 1 . . . . 100 Leu CG . 25387 1 1168 . 1 1 100 100 LEU CD1 C 13 23.434 0.057 . 2 . . . . 100 Leu CD1 . 25387 1 1169 . 1 1 100 100 LEU CD2 C 13 26.804 0.058 . 2 . . . . 100 Leu CD2 . 25387 1 1170 . 1 1 100 100 LEU N N 15 120.296 0.031 . 1 . . . . 100 Leu N . 25387 1 1171 . 1 1 101 101 ASP H H 1 8.990 0.003 . 1 . . . . 101 Asp H . 25387 1 1172 . 1 1 101 101 ASP HA H 1 4.203 0.003 . 1 . . . . 101 Asp HA . 25387 1 1173 . 1 1 101 101 ASP HB2 H 1 2.560 0.001 . 2 . . . . 101 Asp HB2 . 25387 1 1174 . 1 1 101 101 ASP HB3 H 1 2.736 0.003 . 2 . . . . 101 Asp HB3 . 25387 1 1175 . 1 1 101 101 ASP C C 13 178.630 0.000 . 1 . . . . 101 Asp C . 25387 1 1176 . 1 1 101 101 ASP CA C 13 57.715 0.090 . 1 . . . . 101 Asp CA . 25387 1 1177 . 1 1 101 101 ASP CB C 13 39.761 0.071 . 1 . . . . 101 Asp CB . 25387 1 1178 . 1 1 101 101 ASP N N 15 121.262 0.052 . 1 . . . . 101 Asp N . 25387 1 1179 . 1 1 102 102 LYS H H 1 8.061 0.002 . 1 . . . . 102 Lys H . 25387 1 1180 . 1 1 102 102 LYS HA H 1 3.997 0.004 . 1 . . . . 102 Lys HA . 25387 1 1181 . 1 1 102 102 LYS HB2 H 1 1.981 0.010 . 2 . . . . 102 Lys HB2 . 25387 1 1182 . 1 1 102 102 LYS HB3 H 1 1.978 0.007 . 2 . . . . 102 Lys HB3 . 25387 1 1183 . 1 1 102 102 LYS HG2 H 1 1.608 0.004 . 2 . . . . 102 Lys HG2 . 25387 1 1184 . 1 1 102 102 LYS HG3 H 1 1.502 0.002 . 2 . . . . 102 Lys HG3 . 25387 1 1185 . 1 1 102 102 LYS HD2 H 1 1.773 0.005 . 1 . . . . 102 Lys HD2 . 25387 1 1186 . 1 1 102 102 LYS HD3 H 1 1.773 0.005 . 1 . . . . 102 Lys HD3 . 25387 1 1187 . 1 1 102 102 LYS HE2 H 1 3.068 0.003 . 1 . . . . 102 Lys HE2 . 25387 1 1188 . 1 1 102 102 LYS HE3 H 1 3.068 0.003 . 1 . . . . 102 Lys HE3 . 25387 1 1189 . 1 1 102 102 LYS C C 13 179.716 0.000 . 1 . . . . 102 Lys C . 25387 1 1190 . 1 1 102 102 LYS CA C 13 59.414 0.038 . 1 . . . . 102 Lys CA . 25387 1 1191 . 1 1 102 102 LYS CB C 13 32.190 0.035 . 1 . . . . 102 Lys CB . 25387 1 1192 . 1 1 102 102 LYS CG C 13 25.799 0.046 . 1 . . . . 102 Lys CG . 25387 1 1193 . 1 1 102 102 LYS CD C 13 29.276 0.095 . 1 . . . . 102 Lys CD . 25387 1 1194 . 1 1 102 102 LYS CE C 13 42.240 0.144 . 1 . . . . 102 Lys CE . 25387 1 1195 . 1 1 102 102 LYS N N 15 120.095 0.034 . 1 . . . . 102 Lys N . 25387 1 1196 . 1 1 103 103 PHE H H 1 7.468 0.006 . 1 . . . . 103 Phe H . 25387 1 1197 . 1 1 103 103 PHE HA H 1 3.669 0.006 . 1 . . . . 103 Phe HA . 25387 1 1198 . 1 1 103 103 PHE HB2 H 1 2.227 0.008 . 1 . . . . 103 Phe HB2 . 25387 1 1199 . 1 1 103 103 PHE HB3 H 1 2.227 0.008 . 1 . . . . 103 Phe HB3 . 25387 1 1200 . 1 1 103 103 PHE HD1 H 1 5.520 0.026 . 3 . . . . 103 Phe HD1 . 25387 1 1201 . 1 1 103 103 PHE HD2 H 1 5.520 0.026 . 3 . . . . 103 Phe HD2 . 25387 1 1202 . 1 1 103 103 PHE HE1 H 1 6.184 0.004 . 3 . . . . 103 Phe HE1 . 25387 1 1203 . 1 1 103 103 PHE HE2 H 1 6.184 0.004 . 3 . . . . 103 Phe HE2 . 25387 1 1204 . 1 1 103 103 PHE HZ H 1 5.578 0.004 . 1 . . . . 103 Phe HZ . 25387 1 1205 . 1 1 103 103 PHE C C 13 178.097 0.000 . 1 . . . . 103 Phe C . 25387 1 1206 . 1 1 103 103 PHE CA C 13 61.617 0.040 . 1 . . . . 103 Phe CA . 25387 1 1207 . 1 1 103 103 PHE CB C 13 39.044 0.058 . 1 . . . . 103 Phe CB . 25387 1 1208 . 1 1 103 103 PHE CD1 C 13 130.997 0.048 . 3 . . . . 103 Phe CD1 . 25387 1 1209 . 1 1 103 103 PHE CD2 C 13 130.997 0.048 . 3 . . . . 103 Phe CD2 . 25387 1 1210 . 1 1 103 103 PHE CE1 C 13 129.764 0.034 . 3 . . . . 103 Phe CE1 . 25387 1 1211 . 1 1 103 103 PHE CE2 C 13 129.764 0.034 . 3 . . . . 103 Phe CE2 . 25387 1 1212 . 1 1 103 103 PHE CZ C 13 129.881 0.018 . 1 . . . . 103 Phe CZ . 25387 1 1213 . 1 1 103 103 PHE N N 15 119.980 0.028 . 1 . . . . 103 Phe N . 25387 1 1214 . 1 1 104 104 ARG H H 1 8.607 0.004 . 1 . . . . 104 Arg H . 25387 1 1215 . 1 1 104 104 ARG HA H 1 3.472 0.006 . 1 . . . . 104 Arg HA . 25387 1 1216 . 1 1 104 104 ARG HB2 H 1 1.721 0.005 . 2 . . . . 104 Arg HB2 . 25387 1 1217 . 1 1 104 104 ARG HB3 H 1 1.879 0.008 . 2 . . . . 104 Arg HB3 . 25387 1 1218 . 1 1 104 104 ARG HG2 H 1 1.893 0.005 . 2 . . . . 104 Arg HG2 . 25387 1 1219 . 1 1 104 104 ARG HG3 H 1 1.302 0.008 . 2 . . . . 104 Arg HG3 . 25387 1 1220 . 1 1 104 104 ARG HD2 H 1 2.937 0.004 . 2 . . . . 104 Arg HD2 . 25387 1 1221 . 1 1 104 104 ARG HD3 H 1 3.108 0.004 . 2 . . . . 104 Arg HD3 . 25387 1 1222 . 1 1 104 104 ARG C C 13 177.295 0.000 . 1 . . . . 104 Arg C . 25387 1 1223 . 1 1 104 104 ARG CA C 13 59.623 0.058 . 1 . . . . 104 Arg CA . 25387 1 1224 . 1 1 104 104 ARG CB C 13 30.123 0.084 . 1 . . . . 104 Arg CB . 25387 1 1225 . 1 1 104 104 ARG CG C 13 28.043 0.136 . 1 . . . . 104 Arg CG . 25387 1 1226 . 1 1 104 104 ARG CD C 13 43.562 0.067 . 1 . . . . 104 Arg CD . 25387 1 1227 . 1 1 104 104 ARG N N 15 119.055 0.017 . 1 . . . . 104 Arg N . 25387 1 1228 . 1 1 105 105 ASN H H 1 7.703 0.003 . 1 . . . . 105 Asn H . 25387 1 1229 . 1 1 105 105 ASN HA H 1 4.712 0.002 . 1 . . . . 105 Asn HA . 25387 1 1230 . 1 1 105 105 ASN HB2 H 1 2.699 0.009 . 2 . . . . 105 Asn HB2 . 25387 1 1231 . 1 1 105 105 ASN HB3 H 1 2.917 0.008 . 2 . . . . 105 Asn HB3 . 25387 1 1232 . 1 1 105 105 ASN HD21 H 1 6.936 0.000 . 1 . . . . 105 Asn HD21 . 25387 1 1233 . 1 1 105 105 ASN HD22 H 1 7.498 0.000 . 1 . . . . 105 Asn HD22 . 25387 1 1234 . 1 1 105 105 ASN C C 13 174.904 0.000 . 1 . . . . 105 Asn C . 25387 1 1235 . 1 1 105 105 ASN CA C 13 53.414 0.061 . 1 . . . . 105 Asn CA . 25387 1 1236 . 1 1 105 105 ASN CB C 13 39.056 0.082 . 1 . . . . 105 Asn CB . 25387 1 1237 . 1 1 105 105 ASN N N 15 116.016 0.037 . 1 . . . . 105 Asn N . 25387 1 1238 . 1 1 105 105 ASN ND2 N 15 113.786 0.000 . 1 . . . . 105 Asn ND2 . 25387 1 1239 . 1 1 106 106 SER H H 1 7.262 0.003 . 1 . . . . 106 Ser H . 25387 1 1240 . 1 1 106 106 SER HA H 1 4.544 0.003 . 1 . . . . 106 Ser HA . 25387 1 1241 . 1 1 106 106 SER HB2 H 1 3.962 0.014 . 2 . . . . 106 Ser HB2 . 25387 1 1242 . 1 1 106 106 SER HB3 H 1 3.985 0.010 . 2 . . . . 106 Ser HB3 . 25387 1 1243 . 1 1 106 106 SER C C 13 173.537 0.000 . 1 . . . . 106 Ser C . 25387 1 1244 . 1 1 106 106 SER CA C 13 58.926 0.051 . 1 . . . . 106 Ser CA . 25387 1 1245 . 1 1 106 106 SER CB C 13 64.889 0.111 . 1 . . . . 106 Ser CB . 25387 1 1246 . 1 1 106 106 SER N N 15 116.242 0.033 . 1 . . . . 106 Ser N . 25387 1 1247 . 1 1 107 107 ASP H H 1 8.867 0.003 . 1 . . . . 107 Asp H . 25387 1 1248 . 1 1 107 107 ASP HA H 1 4.808 0.002 . 1 . . . . 107 Asp HA . 25387 1 1249 . 1 1 107 107 ASP HB2 H 1 2.585 0.002 . 2 . . . . 107 Asp HB2 . 25387 1 1250 . 1 1 107 107 ASP HB3 H 1 2.865 0.006 . 2 . . . . 107 Asp HB3 . 25387 1 1251 . 1 1 107 107 ASP C C 13 175.803 0.000 . 1 . . . . 107 Asp C . 25387 1 1252 . 1 1 107 107 ASP CA C 13 54.092 0.070 . 1 . . . . 107 Asp CA . 25387 1 1253 . 1 1 107 107 ASP CB C 13 40.527 0.061 . 1 . . . . 107 Asp CB . 25387 1 1254 . 1 1 107 107 ASP N N 15 125.245 0.025 . 1 . . . . 107 Asp N . 25387 1 1255 . 1 1 108 108 GLY H H 1 7.987 0.003 . 1 . . . . 108 Gly H . 25387 1 1256 . 1 1 108 108 GLY HA2 H 1 4.163 0.000 . 1 . . . . 108 Gly HA2 . 25387 1 1257 . 1 1 108 108 GLY HA3 H 1 4.163 0.000 . 1 . . . . 108 Gly HA3 . 25387 1 1258 . 1 1 108 108 GLY C C 13 172.395 0.000 . 1 . . . . 108 Gly C . 25387 1 1259 . 1 1 108 108 GLY CA C 13 45.695 0.017 . 1 . . . . 108 Gly CA . 25387 1 1260 . 1 1 108 108 GLY N N 15 111.749 0.016 . 1 . . . . 108 Gly N . 25387 1 1261 . 1 1 109 109 TRP H H 1 8.609 0.003 . 1 . . . . 109 Trp H . 25387 1 1262 . 1 1 109 109 TRP HA H 1 4.821 0.002 . 1 . . . . 109 Trp HA . 25387 1 1263 . 1 1 109 109 TRP HB2 H 1 3.132 0.006 . 2 . . . . 109 Trp HB2 . 25387 1 1264 . 1 1 109 109 TRP HB3 H 1 3.134 0.006 . 2 . . . . 109 Trp HB3 . 25387 1 1265 . 1 1 109 109 TRP HD1 H 1 7.285 0.005 . 1 . . . . 109 Trp HD1 . 25387 1 1266 . 1 1 109 109 TRP HE1 H 1 10.818 0.000 . 1 . . . . 109 Trp HE1 . 25387 1 1267 . 1 1 109 109 TRP HE3 H 1 7.255 0.012 . 1 . . . . 109 Trp HE3 . 25387 1 1268 . 1 1 109 109 TRP HZ2 H 1 7.284 0.006 . 1 . . . . 109 Trp HZ2 . 25387 1 1269 . 1 1 109 109 TRP HZ3 H 1 5.856 0.008 . 1 . . . . 109 Trp HZ3 . 25387 1 1270 . 1 1 109 109 TRP HH2 H 1 6.500 0.005 . 1 . . . . 109 Trp HH2 . 25387 1 1271 . 1 1 109 109 TRP C C 13 174.018 0.000 . 1 . . . . 109 Trp C . 25387 1 1272 . 1 1 109 109 TRP CA C 13 57.443 0.052 . 1 . . . . 109 Trp CA . 25387 1 1273 . 1 1 109 109 TRP CB C 13 32.555 0.095 . 1 . . . . 109 Trp CB . 25387 1 1274 . 1 1 109 109 TRP CD1 C 13 127.123 0.073 . 1 . . . . 109 Trp CD1 . 25387 1 1275 . 1 1 109 109 TRP CE3 C 13 120.600 0.002 . 1 . . . . 109 Trp CE3 . 25387 1 1276 . 1 1 109 109 TRP CZ2 C 13 113.753 0.023 . 1 . . . . 109 Trp CZ2 . 25387 1 1277 . 1 1 109 109 TRP CZ3 C 13 120.641 0.011 . 1 . . . . 109 Trp CZ3 . 25387 1 1278 . 1 1 109 109 TRP CH2 C 13 123.050 0.026 . 1 . . . . 109 Trp CH2 . 25387 1 1279 . 1 1 109 109 TRP N N 15 126.130 0.029 . 1 . . . . 109 Trp N . 25387 1 1280 . 1 1 109 109 TRP NE1 N 15 131.050 0.000 . 1 . . . . 109 Trp NE1 . 25387 1 1281 . 1 1 110 110 ALA H H 1 9.063 0.006 . 1 . . . . 110 Ala H . 25387 1 1282 . 1 1 110 110 ALA HA H 1 4.915 0.007 . 1 . . . . 110 Ala HA . 25387 1 1283 . 1 1 110 110 ALA HB1 H 1 1.120 0.005 . 1 . . . . 110 Ala HB1 . 25387 1 1284 . 1 1 110 110 ALA HB2 H 1 1.120 0.005 . 1 . . . . 110 Ala HB2 . 25387 1 1285 . 1 1 110 110 ALA HB3 H 1 1.120 0.005 . 1 . . . . 110 Ala HB3 . 25387 1 1286 . 1 1 110 110 ALA C C 13 176.134 0.000 . 1 . . . . 110 Ala C . 25387 1 1287 . 1 1 110 110 ALA CA C 13 49.846 0.036 . 1 . . . . 110 Ala CA . 25387 1 1288 . 1 1 110 110 ALA CB C 13 19.920 0.070 . 1 . . . . 110 Ala CB . 25387 1 1289 . 1 1 110 110 ALA N N 15 132.177 0.053 . 1 . . . . 110 Ala N . 25387 1 1290 . 1 1 111 111 ALA H H 1 7.852 0.003 . 1 . . . . 111 Ala H . 25387 1 1291 . 1 1 111 111 ALA HA H 1 2.923 0.010 . 1 . . . . 111 Ala HA . 25387 1 1292 . 1 1 111 111 ALA HB1 H 1 1.101 0.018 . 1 . . . . 111 Ala HB1 . 25387 1 1293 . 1 1 111 111 ALA HB2 H 1 1.101 0.018 . 1 . . . . 111 Ala HB2 . 25387 1 1294 . 1 1 111 111 ALA HB3 H 1 1.101 0.018 . 1 . . . . 111 Ala HB3 . 25387 1 1295 . 1 1 111 111 ALA C C 13 178.133 0.000 . 1 . . . . 111 Ala C . 25387 1 1296 . 1 1 111 111 ALA CA C 13 52.998 0.081 . 1 . . . . 111 Ala CA . 25387 1 1297 . 1 1 111 111 ALA CB C 13 18.878 0.078 . 1 . . . . 111 Ala CB . 25387 1 1298 . 1 1 111 111 ALA N N 15 127.645 0.023 . 1 . . . . 111 Ala N . 25387 1 1299 . 1 1 112 112 GLY H H 1 8.136 0.003 . 1 . . . . 112 Gly H . 25387 1 1300 . 1 1 112 112 GLY HA2 H 1 3.797 0.009 . 2 . . . . 112 Gly HA2 . 25387 1 1301 . 1 1 112 112 GLY HA3 H 1 4.144 0.002 . 2 . . . . 112 Gly HA3 . 25387 1 1302 . 1 1 112 112 GLY C C 13 173.452 0.000 . 1 . . . . 112 Gly C . 25387 1 1303 . 1 1 112 112 GLY CA C 13 45.910 0.017 . 1 . . . . 112 Gly CA . 25387 1 1304 . 1 1 112 112 GLY N N 15 111.468 0.048 . 1 . . . . 112 Gly N . 25387 1 1305 . 1 1 113 113 ALA H H 1 7.456 0.002 . 1 . . . . 113 Ala H . 25387 1 1306 . 1 1 113 113 ALA HA H 1 4.355 0.001 . 1 . . . . 113 Ala HA . 25387 1 1307 . 1 1 113 113 ALA HB1 H 1 1.283 0.002 . 1 . . . . 113 Ala HB1 . 25387 1 1308 . 1 1 113 113 ALA HB2 H 1 1.283 0.002 . 1 . . . . 113 Ala HB2 . 25387 1 1309 . 1 1 113 113 ALA HB3 H 1 1.283 0.002 . 1 . . . . 113 Ala HB3 . 25387 1 1310 . 1 1 113 113 ALA C C 13 177.505 0.000 . 1 . . . . 113 Ala C . 25387 1 1311 . 1 1 113 113 ALA CA C 13 52.939 0.051 . 1 . . . . 113 Ala CA . 25387 1 1312 . 1 1 113 113 ALA CB C 13 19.559 0.080 . 1 . . . . 113 Ala CB . 25387 1 1313 . 1 1 113 113 ALA N N 15 123.233 0.034 . 1 . . . . 113 Ala N . 25387 1 1314 . 1 1 114 114 ASP H H 1 7.926 0.003 . 1 . . . . 114 Asp H . 25387 1 1315 . 1 1 114 114 ASP HA H 1 4.588 0.012 . 1 . . . . 114 Asp HA . 25387 1 1316 . 1 1 114 114 ASP HB2 H 1 2.157 0.012 . 2 . . . . 114 Asp HB2 . 25387 1 1317 . 1 1 114 114 ASP HB3 H 1 2.692 0.002 . 2 . . . . 114 Asp HB3 . 25387 1 1318 . 1 1 114 114 ASP C C 13 175.772 0.000 . 1 . . . . 114 Asp C . 25387 1 1319 . 1 1 114 114 ASP CA C 13 54.748 0.032 . 1 . . . . 114 Asp CA . 25387 1 1320 . 1 1 114 114 ASP CB C 13 42.268 0.065 . 1 . . . . 114 Asp CB . 25387 1 1321 . 1 1 114 114 ASP N N 15 117.094 0.028 . 1 . . . . 114 Asp N . 25387 1 1322 . 1 1 115 115 ALA H H 1 7.514 0.004 . 1 . . . . 115 Ala H . 25387 1 1323 . 1 1 115 115 ALA HA H 1 4.432 0.001 . 1 . . . . 115 Ala HA . 25387 1 1324 . 1 1 115 115 ALA HB1 H 1 1.512 0.007 . 1 . . . . 115 Ala HB1 . 25387 1 1325 . 1 1 115 115 ALA HB2 H 1 1.512 0.007 . 1 . . . . 115 Ala HB2 . 25387 1 1326 . 1 1 115 115 ALA HB3 H 1 1.512 0.007 . 1 . . . . 115 Ala HB3 . 25387 1 1327 . 1 1 115 115 ALA C C 13 176.747 0.000 . 1 . . . . 115 Ala C . 25387 1 1328 . 1 1 115 115 ALA CA C 13 52.299 0.063 . 1 . . . . 115 Ala CA . 25387 1 1329 . 1 1 115 115 ALA CB C 13 20.971 0.027 . 1 . . . . 115 Ala CB . 25387 1 1330 . 1 1 115 115 ALA N N 15 120.969 0.034 . 1 . . . . 115 Ala N . 25387 1 1331 . 1 1 116 116 SER H H 1 8.615 0.004 . 1 . . . . 116 Ser H . 25387 1 1332 . 1 1 116 116 SER HA H 1 4.480 0.001 . 1 . . . . 116 Ser HA . 25387 1 1333 . 1 1 116 116 SER HB2 H 1 3.931 0.001 . 1 . . . . 116 Ser HB2 . 25387 1 1334 . 1 1 116 116 SER HB3 H 1 3.931 0.001 . 1 . . . . 116 Ser HB3 . 25387 1 1335 . 1 1 116 116 SER C C 13 172.877 0.000 . 1 . . . . 116 Ser C . 25387 1 1336 . 1 1 116 116 SER CA C 13 59.174 0.075 . 1 . . . . 116 Ser CA . 25387 1 1337 . 1 1 116 116 SER CB C 13 63.507 0.038 . 1 . . . . 116 Ser CB . 25387 1 1338 . 1 1 116 116 SER N N 15 117.823 0.042 . 1 . . . . 116 Ser N . 25387 1 1339 . 1 1 117 117 VAL H H 1 7.838 0.007 . 1 . . . . 117 Val H . 25387 1 1340 . 1 1 117 117 VAL HA H 1 5.005 0.004 . 1 . . . . 117 Val HA . 25387 1 1341 . 1 1 117 117 VAL HB H 1 1.931 0.004 . 1 . . . . 117 Val HB . 25387 1 1342 . 1 1 117 117 VAL HG11 H 1 0.876 0.024 . 2 . . . . 117 Val HG11 . 25387 1 1343 . 1 1 117 117 VAL HG12 H 1 0.876 0.024 . 2 . . . . 117 Val HG12 . 25387 1 1344 . 1 1 117 117 VAL HG13 H 1 0.876 0.024 . 2 . . . . 117 Val HG13 . 25387 1 1345 . 1 1 117 117 VAL HG21 H 1 0.854 0.011 . 2 . . . . 117 Val HG21 . 25387 1 1346 . 1 1 117 117 VAL HG22 H 1 0.854 0.011 . 2 . . . . 117 Val HG22 . 25387 1 1347 . 1 1 117 117 VAL HG23 H 1 0.854 0.011 . 2 . . . . 117 Val HG23 . 25387 1 1348 . 1 1 117 117 VAL C C 13 175.236 0.000 . 1 . . . . 117 Val C . 25387 1 1349 . 1 1 117 117 VAL CA C 13 59.716 0.062 . 1 . . . . 117 Val CA . 25387 1 1350 . 1 1 117 117 VAL CB C 13 34.106 0.083 . 1 . . . . 117 Val CB . 25387 1 1351 . 1 1 117 117 VAL CG1 C 13 20.835 0.078 . 2 . . . . 117 Val CG1 . 25387 1 1352 . 1 1 117 117 VAL CG2 C 13 22.032 0.027 . 2 . . . . 117 Val CG2 . 25387 1 1353 . 1 1 117 117 VAL N N 15 119.496 0.020 . 1 . . . . 117 Val N . 25387 1 1354 . 1 1 118 118 ALA H H 1 8.411 0.002 . 1 . . . . 118 Ala H . 25387 1 1355 . 1 1 118 118 ALA HA H 1 4.724 0.002 . 1 . . . . 118 Ala HA . 25387 1 1356 . 1 1 118 118 ALA HB1 H 1 1.379 0.002 . 1 . . . . 118 Ala HB1 . 25387 1 1357 . 1 1 118 118 ALA HB2 H 1 1.379 0.002 . 1 . . . . 118 Ala HB2 . 25387 1 1358 . 1 1 118 118 ALA HB3 H 1 1.379 0.002 . 1 . . . . 118 Ala HB3 . 25387 1 1359 . 1 1 118 118 ALA C C 13 175.424 0.000 . 1 . . . . 118 Ala C . 25387 1 1360 . 1 1 118 118 ALA CA C 13 50.854 0.016 . 1 . . . . 118 Ala CA . 25387 1 1361 . 1 1 118 118 ALA CB C 13 22.823 0.072 . 1 . . . . 118 Ala CB . 25387 1 1362 . 1 1 118 118 ALA N N 15 128.205 0.033 . 1 . . . . 118 Ala N . 25387 1 1363 . 1 1 119 119 LEU H H 1 8.499 0.002 . 1 . . . . 119 Leu H . 25387 1 1364 . 1 1 119 119 LEU HA H 1 4.677 0.003 . 1 . . . . 119 Leu HA . 25387 1 1365 . 1 1 119 119 LEU HB2 H 1 1.537 0.002 . 2 . . . . 119 Leu HB2 . 25387 1 1366 . 1 1 119 119 LEU HB3 H 1 1.716 0.006 . 2 . . . . 119 Leu HB3 . 25387 1 1367 . 1 1 119 119 LEU HG H 1 1.764 0.005 . 1 . . . . 119 Leu HG . 25387 1 1368 . 1 1 119 119 LEU HD11 H 1 0.960 0.003 . 1 . . . . 119 Leu HD11 . 25387 1 1369 . 1 1 119 119 LEU HD12 H 1 0.960 0.003 . 1 . . . . 119 Leu HD12 . 25387 1 1370 . 1 1 119 119 LEU HD13 H 1 0.960 0.003 . 1 . . . . 119 Leu HD13 . 25387 1 1371 . 1 1 119 119 LEU HD21 H 1 0.960 0.003 . 1 . . . . 119 Leu HD21 . 25387 1 1372 . 1 1 119 119 LEU HD22 H 1 0.960 0.003 . 1 . . . . 119 Leu HD22 . 25387 1 1373 . 1 1 119 119 LEU HD23 H 1 0.960 0.003 . 1 . . . . 119 Leu HD23 . 25387 1 1374 . 1 1 119 119 LEU C C 13 177.941 0.000 . 1 . . . . 119 Leu C . 25387 1 1375 . 1 1 119 119 LEU CA C 13 54.334 0.068 . 1 . . . . 119 Leu CA . 25387 1 1376 . 1 1 119 119 LEU CB C 13 42.995 0.045 . 1 . . . . 119 Leu CB . 25387 1 1377 . 1 1 119 119 LEU CG C 13 27.768 0.060 . 1 . . . . 119 Leu CG . 25387 1 1378 . 1 1 119 119 LEU CD1 C 13 25.012 0.103 . 1 . . . . 119 Leu CD1 . 25387 1 1379 . 1 1 119 119 LEU CD2 C 13 25.012 0.103 . 1 . . . . 119 Leu CD2 . 25387 1 1380 . 1 1 119 119 LEU N N 15 123.713 0.035 . 1 . . . . 119 Leu N . 25387 1 1381 . 1 1 120 120 VAL H H 1 8.813 0.003 . 1 . . . . 120 Val H . 25387 1 1382 . 1 1 120 120 VAL HA H 1 3.902 0.004 . 1 . . . . 120 Val HA . 25387 1 1383 . 1 1 120 120 VAL HB H 1 1.826 0.016 . 1 . . . . 120 Val HB . 25387 1 1384 . 1 1 120 120 VAL HG11 H 1 0.910 0.005 . 2 . . . . 120 Val HG11 . 25387 1 1385 . 1 1 120 120 VAL HG12 H 1 0.910 0.005 . 2 . . . . 120 Val HG12 . 25387 1 1386 . 1 1 120 120 VAL HG13 H 1 0.910 0.005 . 2 . . . . 120 Val HG13 . 25387 1 1387 . 1 1 120 120 VAL HG21 H 1 0.814 0.004 . 2 . . . . 120 Val HG21 . 25387 1 1388 . 1 1 120 120 VAL HG22 H 1 0.814 0.004 . 2 . . . . 120 Val HG22 . 25387 1 1389 . 1 1 120 120 VAL HG23 H 1 0.814 0.004 . 2 . . . . 120 Val HG23 . 25387 1 1390 . 1 1 120 120 VAL C C 13 174.370 0.000 . 1 . . . . 120 Val C . 25387 1 1391 . 1 1 120 120 VAL CA C 13 63.251 0.060 . 1 . . . . 120 Val CA . 25387 1 1392 . 1 1 120 120 VAL CB C 13 32.262 0.048 . 1 . . . . 120 Val CB . 25387 1 1393 . 1 1 120 120 VAL CG1 C 13 23.268 0.037 . 2 . . . . 120 Val CG1 . 25387 1 1394 . 1 1 120 120 VAL CG2 C 13 22.311 0.049 . 2 . . . . 120 Val CG2 . 25387 1 1395 . 1 1 120 120 VAL N N 15 127.938 0.020 . 1 . . . . 120 Val N . 25387 1 1396 . 1 1 121 121 LYS H H 1 8.577 0.004 . 1 . . . . 121 Lys H . 25387 1 1397 . 1 1 121 121 LYS HA H 1 4.660 0.003 . 1 . . . . 121 Lys HA . 25387 1 1398 . 1 1 121 121 LYS HB2 H 1 1.729 0.009 . 2 . . . . 121 Lys HB2 . 25387 1 1399 . 1 1 121 121 LYS HB3 H 1 1.864 0.005 . 2 . . . . 121 Lys HB3 . 25387 1 1400 . 1 1 121 121 LYS HG2 H 1 1.457 0.004 . 1 . . . . 121 Lys HG2 . 25387 1 1401 . 1 1 121 121 LYS HG3 H 1 1.457 0.004 . 1 . . . . 121 Lys HG3 . 25387 1 1402 . 1 1 121 121 LYS HD2 H 1 1.731 0.000 . 1 . . . . 121 Lys HD2 . 25387 1 1403 . 1 1 121 121 LYS HD3 H 1 1.731 0.000 . 1 . . . . 121 Lys HD3 . 25387 1 1404 . 1 1 121 121 LYS HE2 H 1 3.052 0.003 . 1 . . . . 121 Lys HE2 . 25387 1 1405 . 1 1 121 121 LYS HE3 H 1 3.052 0.003 . 1 . . . . 121 Lys HE3 . 25387 1 1406 . 1 1 121 121 LYS C C 13 175.666 0.000 . 1 . . . . 121 Lys C . 25387 1 1407 . 1 1 121 121 LYS CA C 13 54.232 0.058 . 1 . . . . 121 Lys CA . 25387 1 1408 . 1 1 121 121 LYS CB C 13 35.823 0.112 . 1 . . . . 121 Lys CB . 25387 1 1409 . 1 1 121 121 LYS CG C 13 24.604 0.040 . 1 . . . . 121 Lys CG . 25387 1 1410 . 1 1 121 121 LYS CD C 13 29.276 0.134 . 1 . . . . 121 Lys CD . 25387 1 1411 . 1 1 121 121 LYS CE C 13 42.332 0.000 . 1 . . . . 121 Lys CE . 25387 1 1412 . 1 1 121 121 LYS N N 15 125.378 0.128 . 1 . . . . 121 Lys N . 25387 1 1413 . 1 1 122 122 MET H H 1 8.685 0.004 . 1 . . . . 122 Met H . 25387 1 1414 . 1 1 122 122 MET HA H 1 4.575 0.033 . 1 . . . . 122 Met HA . 25387 1 1415 . 1 1 122 122 MET HB2 H 1 2.000 0.010 . 2 . . . . 122 Met HB2 . 25387 1 1416 . 1 1 122 122 MET HB3 H 1 2.012 0.007 . 2 . . . . 122 Met HB3 . 25387 1 1417 . 1 1 122 122 MET HG2 H 1 2.609 0.006 . 2 . . . . 122 Met HG2 . 25387 1 1418 . 1 1 122 122 MET HG3 H 1 2.697 0.006 . 2 . . . . 122 Met HG3 . 25387 1 1419 . 1 1 122 122 MET C C 13 177.685 0.000 . 1 . . . . 122 Met C . 25387 1 1420 . 1 1 122 122 MET CA C 13 54.293 0.078 . 1 . . . . 122 Met CA . 25387 1 1421 . 1 1 122 122 MET CB C 13 32.187 0.037 . 1 . . . . 122 Met CB . 25387 1 1422 . 1 1 122 122 MET CG C 13 31.779 0.045 . 1 . . . . 122 Met CG . 25387 1 1423 . 1 1 122 122 MET N N 15 120.004 0.031 . 1 . . . . 122 Met N . 25387 1 1424 . 1 1 123 123 GLY H H 1 8.635 0.004 . 1 . . . . 123 Gly H . 25387 1 1425 . 1 1 123 123 GLY HA2 H 1 3.941 0.002 . 2 . . . . 123 Gly HA2 . 25387 1 1426 . 1 1 123 123 GLY HA3 H 1 4.532 0.002 . 2 . . . . 123 Gly HA3 . 25387 1 1427 . 1 1 123 123 GLY C C 13 174.813 0.000 . 1 . . . . 123 Gly C . 25387 1 1428 . 1 1 123 123 GLY CA C 13 44.075 0.097 . 1 . . . . 123 Gly CA . 25387 1 1429 . 1 1 123 123 GLY N N 15 112.515 0.028 . 1 . . . . 123 Gly N . 25387 1 1430 . 1 1 124 124 ALA H H 1 8.757 0.003 . 1 . . . . 124 Ala H . 25387 1 1431 . 1 1 124 124 ALA HA H 1 4.209 0.005 . 1 . . . . 124 Ala HA . 25387 1 1432 . 1 1 124 124 ALA HB1 H 1 1.454 0.008 . 1 . . . . 124 Ala HB1 . 25387 1 1433 . 1 1 124 124 ALA HB2 H 1 1.454 0.008 . 1 . . . . 124 Ala HB2 . 25387 1 1434 . 1 1 124 124 ALA HB3 H 1 1.454 0.008 . 1 . . . . 124 Ala HB3 . 25387 1 1435 . 1 1 124 124 ALA C C 13 178.219 0.000 . 1 . . . . 124 Ala C . 25387 1 1436 . 1 1 124 124 ALA CA C 13 54.070 0.057 . 1 . . . . 124 Ala CA . 25387 1 1437 . 1 1 124 124 ALA CB C 13 18.694 0.083 . 1 . . . . 124 Ala CB . 25387 1 1438 . 1 1 124 124 ALA N N 15 124.413 0.027 . 1 . . . . 124 Ala N . 25387 1 1439 . 1 1 125 125 ASN H H 1 8.431 0.002 . 1 . . . . 125 Asn H . 25387 1 1440 . 1 1 125 125 ASN HA H 1 4.664 0.003 . 1 . . . . 125 Asn HA . 25387 1 1441 . 1 1 125 125 ASN HB2 H 1 2.895 0.003 . 2 . . . . 125 Asn HB2 . 25387 1 1442 . 1 1 125 125 ASN HB3 H 1 3.072 0.006 . 2 . . . . 125 Asn HB3 . 25387 1 1443 . 1 1 125 125 ASN HD21 H 1 6.927 0.000 . 1 . . . . 125 Asn HD21 . 25387 1 1444 . 1 1 125 125 ASN HD22 H 1 7.637 0.000 . 1 . . . . 125 Asn HD22 . 25387 1 1445 . 1 1 125 125 ASN C C 13 176.393 0.000 . 1 . . . . 125 Asn C . 25387 1 1446 . 1 1 125 125 ASN CA C 13 52.671 0.098 . 1 . . . . 125 Asn CA . 25387 1 1447 . 1 1 125 125 ASN CB C 13 37.566 0.186 . 1 . . . . 125 Asn CB . 25387 1 1448 . 1 1 125 125 ASN N N 15 114.716 0.033 . 1 . . . . 125 Asn N . 25387 1 1449 . 1 1 125 125 ASN ND2 N 15 112.358 0.003 . 1 . . . . 125 Asn ND2 . 25387 1 1450 . 1 1 126 126 GLY H H 1 8.142 0.002 . 1 . . . . 126 Gly H . 25387 1 1451 . 1 1 126 126 GLY HA2 H 1 4.144 0.004 . 2 . . . . 126 Gly HA2 . 25387 1 1452 . 1 1 126 126 GLY HA3 H 1 3.767 0.007 . 2 . . . . 126 Gly HA3 . 25387 1 1453 . 1 1 126 126 GLY C C 13 172.400 0.000 . 1 . . . . 126 Gly C . 25387 1 1454 . 1 1 126 126 GLY CA C 13 46.287 0.033 . 1 . . . . 126 Gly CA . 25387 1 1455 . 1 1 126 126 GLY N N 15 107.741 0.040 . 1 . . . . 126 Gly N . 25387 1 1456 . 1 1 127 127 ALA H H 1 7.411 0.005 . 1 . . . . 127 Ala H . 25387 1 1457 . 1 1 127 127 ALA HA H 1 4.862 0.006 . 1 . . . . 127 Ala HA . 25387 1 1458 . 1 1 127 127 ALA HB1 H 1 1.249 0.004 . 1 . . . . 127 Ala HB1 . 25387 1 1459 . 1 1 127 127 ALA HB2 H 1 1.249 0.004 . 1 . . . . 127 Ala HB2 . 25387 1 1460 . 1 1 127 127 ALA HB3 H 1 1.249 0.004 . 1 . . . . 127 Ala HB3 . 25387 1 1461 . 1 1 127 127 ALA C C 13 177.435 0.000 . 1 . . . . 127 Ala C . 25387 1 1462 . 1 1 127 127 ALA CA C 13 49.803 0.031 . 1 . . . . 127 Ala CA . 25387 1 1463 . 1 1 127 127 ALA CB C 13 22.263 0.084 . 1 . . . . 127 Ala CB . 25387 1 1464 . 1 1 127 127 ALA N N 15 121.455 0.025 . 1 . . . . 127 Ala N . 25387 1 1465 . 1 1 128 128 ILE H H 1 8.188 0.002 . 1 . . . . 128 Ile H . 25387 1 1466 . 1 1 128 128 ILE HA H 1 4.038 0.002 . 1 . . . . 128 Ile HA . 25387 1 1467 . 1 1 128 128 ILE HB H 1 1.628 0.008 . 1 . . . . 128 Ile HB . 25387 1 1468 . 1 1 128 128 ILE HG12 H 1 0.977 0.005 . 2 . . . . 128 Ile HG12 . 25387 1 1469 . 1 1 128 128 ILE HG13 H 1 1.550 0.003 . 2 . . . . 128 Ile HG13 . 25387 1 1470 . 1 1 128 128 ILE HG21 H 1 0.768 0.006 . 1 . . . . 128 Ile HG21 . 25387 1 1471 . 1 1 128 128 ILE HG22 H 1 0.768 0.006 . 1 . . . . 128 Ile HG22 . 25387 1 1472 . 1 1 128 128 ILE HG23 H 1 0.768 0.006 . 1 . . . . 128 Ile HG23 . 25387 1 1473 . 1 1 128 128 ILE HD11 H 1 0.603 0.011 . 1 . . . . 128 Ile HD11 . 25387 1 1474 . 1 1 128 128 ILE HD12 H 1 0.603 0.011 . 1 . . . . 128 Ile HD12 . 25387 1 1475 . 1 1 128 128 ILE HD13 H 1 0.603 0.011 . 1 . . . . 128 Ile HD13 . 25387 1 1476 . 1 1 128 128 ILE C C 13 175.931 0.000 . 1 . . . . 128 Ile C . 25387 1 1477 . 1 1 128 128 ILE CA C 13 62.894 0.061 . 1 . . . . 128 Ile CA . 25387 1 1478 . 1 1 128 128 ILE CB C 13 39.466 0.045 . 1 . . . . 128 Ile CB . 25387 1 1479 . 1 1 128 128 ILE CG1 C 13 28.037 0.035 . 1 . . . . 128 Ile CG1 . 25387 1 1480 . 1 1 128 128 ILE CG2 C 13 17.798 0.053 . 1 . . . . 128 Ile CG2 . 25387 1 1481 . 1 1 128 128 ILE CD1 C 13 14.294 0.098 . 1 . . . . 128 Ile CD1 . 25387 1 1482 . 1 1 128 128 ILE N N 15 120.201 0.038 . 1 . . . . 128 Ile N . 25387 1 1483 . 1 1 129 129 ASP H H 1 8.894 0.003 . 1 . . . . 129 Asp H . 25387 1 1484 . 1 1 129 129 ASP HA H 1 4.783 0.008 . 1 . . . . 129 Asp HA . 25387 1 1485 . 1 1 129 129 ASP HB2 H 1 2.378 0.006 . 2 . . . . 129 Asp HB2 . 25387 1 1486 . 1 1 129 129 ASP HB3 H 1 2.861 0.004 . 2 . . . . 129 Asp HB3 . 25387 1 1487 . 1 1 129 129 ASP C C 13 176.913 0.000 . 1 . . . . 129 Asp C . 25387 1 1488 . 1 1 129 129 ASP CA C 13 53.314 0.086 . 1 . . . . 129 Asp CA . 25387 1 1489 . 1 1 129 129 ASP CB C 13 40.783 0.072 . 1 . . . . 129 Asp CB . 25387 1 1490 . 1 1 129 129 ASP N N 15 126.864 0.034 . 1 . . . . 129 Asp N . 25387 1 1491 . 1 1 130 130 THR H H 1 8.557 0.003 . 1 . . . . 130 Thr H . 25387 1 1492 . 1 1 130 130 THR HA H 1 4.220 0.007 . 1 . . . . 130 Thr HA . 25387 1 1493 . 1 1 130 130 THR HB H 1 4.420 0.005 . 1 . . . . 130 Thr HB . 25387 1 1494 . 1 1 130 130 THR HG21 H 1 1.225 0.005 . 1 . . . . 130 Thr HG21 . 25387 1 1495 . 1 1 130 130 THR HG22 H 1 1.225 0.005 . 1 . . . . 130 Thr HG22 . 25387 1 1496 . 1 1 130 130 THR HG23 H 1 1.225 0.005 . 1 . . . . 130 Thr HG23 . 25387 1 1497 . 1 1 130 130 THR C C 13 176.283 0.000 . 1 . . . . 130 Thr C . 25387 1 1498 . 1 1 130 130 THR CA C 13 63.038 0.065 . 1 . . . . 130 Thr CA . 25387 1 1499 . 1 1 130 130 THR CB C 13 68.486 0.065 . 1 . . . . 130 Thr CB . 25387 1 1500 . 1 1 130 130 THR CG2 C 13 22.421 0.036 . 1 . . . . 130 Thr CG2 . 25387 1 1501 . 1 1 130 130 THR N N 15 118.281 0.024 . 1 . . . . 130 Thr N . 25387 1 1502 . 1 1 131 131 THR H H 1 8.533 0.003 . 1 . . . . 131 Thr H . 25387 1 1503 . 1 1 131 131 THR HA H 1 4.241 0.024 . 1 . . . . 131 Thr HA . 25387 1 1504 . 1 1 131 131 THR HB H 1 4.288 0.012 . 1 . . . . 131 Thr HB . 25387 1 1505 . 1 1 131 131 THR HG21 H 1 1.284 0.005 . 1 . . . . 131 Thr HG21 . 25387 1 1506 . 1 1 131 131 THR HG22 H 1 1.284 0.005 . 1 . . . . 131 Thr HG22 . 25387 1 1507 . 1 1 131 131 THR HG23 H 1 1.284 0.005 . 1 . . . . 131 Thr HG23 . 25387 1 1508 . 1 1 131 131 THR C C 13 175.808 0.000 . 1 . . . . 131 Thr C . 25387 1 1509 . 1 1 131 131 THR CA C 13 64.240 0.073 . 1 . . . . 131 Thr CA . 25387 1 1510 . 1 1 131 131 THR CB C 13 69.362 0.132 . 1 . . . . 131 Thr CB . 25387 1 1511 . 1 1 131 131 THR CG2 C 13 21.934 0.007 . 1 . . . . 131 Thr CG2 . 25387 1 1512 . 1 1 131 131 THR N N 15 115.976 0.034 . 1 . . . . 131 Thr N . 25387 1 1513 . 1 1 132 132 THR H H 1 7.465 0.004 . 1 . . . . 132 Thr H . 25387 1 1514 . 1 1 132 132 THR HA H 1 4.406 0.004 . 1 . . . . 132 Thr HA . 25387 1 1515 . 1 1 132 132 THR HB H 1 4.404 0.004 . 1 . . . . 132 Thr HB . 25387 1 1516 . 1 1 132 132 THR HG21 H 1 1.205 0.004 . 1 . . . . 132 Thr HG21 . 25387 1 1517 . 1 1 132 132 THR HG22 H 1 1.205 0.004 . 1 . . . . 132 Thr HG22 . 25387 1 1518 . 1 1 132 132 THR HG23 H 1 1.205 0.004 . 1 . . . . 132 Thr HG23 . 25387 1 1519 . 1 1 132 132 THR C C 13 174.536 0.000 . 1 . . . . 132 Thr C . 25387 1 1520 . 1 1 132 132 THR CA C 13 61.382 0.073 . 1 . . . . 132 Thr CA . 25387 1 1521 . 1 1 132 132 THR CB C 13 69.400 0.046 . 1 . . . . 132 Thr CB . 25387 1 1522 . 1 1 132 132 THR CG2 C 13 21.772 0.117 . 1 . . . . 132 Thr CG2 . 25387 1 1523 . 1 1 132 132 THR N N 15 112.282 0.080 . 1 . . . . 132 Thr N . 25387 1 1524 . 1 1 133 133 ALA H H 1 7.765 0.005 . 1 . . . . 133 Ala H . 25387 1 1525 . 1 1 133 133 ALA HA H 1 4.584 0.008 . 1 . . . . 133 Ala HA . 25387 1 1526 . 1 1 133 133 ALA HB1 H 1 1.317 0.007 . 1 . . . . 133 Ala HB1 . 25387 1 1527 . 1 1 133 133 ALA HB2 H 1 1.317 0.007 . 1 . . . . 133 Ala HB2 . 25387 1 1528 . 1 1 133 133 ALA HB3 H 1 1.317 0.007 . 1 . . . . 133 Ala HB3 . 25387 1 1529 . 1 1 133 133 ALA C C 13 177.638 0.000 . 1 . . . . 133 Ala C . 25387 1 1530 . 1 1 133 133 ALA CA C 13 51.688 0.067 . 1 . . . . 133 Ala CA . 25387 1 1531 . 1 1 133 133 ALA CB C 13 17.818 0.087 . 1 . . . . 133 Ala CB . 25387 1 1532 . 1 1 133 133 ALA N N 15 128.357 0.026 . 1 . . . . 133 Ala N . 25387 1 1533 . 1 1 134 134 THR H H 1 7.971 0.004 . 1 . . . . 134 Thr H . 25387 1 1534 . 1 1 134 134 THR HA H 1 4.320 0.017 . 1 . . . . 134 Thr HA . 25387 1 1535 . 1 1 134 134 THR HB H 1 4.341 0.009 . 1 . . . . 134 Thr HB . 25387 1 1536 . 1 1 134 134 THR HG21 H 1 1.109 0.003 . 1 . . . . 134 Thr HG22 . 25387 1 1537 . 1 1 134 134 THR HG22 H 1 1.109 0.003 . 1 . . . . 134 Thr HG22 . 25387 1 1538 . 1 1 134 134 THR HG23 H 1 1.109 0.003 . 1 . . . . 134 Thr HG23 . 25387 1 1539 . 1 1 134 134 THR C C 13 174.580 0.000 . 1 . . . . 134 Thr C . 25387 1 1540 . 1 1 134 134 THR CA C 13 61.495 0.073 . 1 . . . . 134 Thr CA . 25387 1 1541 . 1 1 134 134 THR CB C 13 69.673 0.067 . 1 . . . . 134 Thr CB . 25387 1 1542 . 1 1 134 134 THR CG2 C 13 21.936 0.018 . 1 . . . . 134 Thr CG2 . 25387 1 1543 . 1 1 134 134 THR N N 15 112.563 0.025 . 1 . . . . 134 Thr N . 25387 1 1544 . 1 1 135 135 ALA H H 1 8.256 0.006 . 1 . . . . 135 Ala H . 25387 1 1545 . 1 1 135 135 ALA HA H 1 4.678 0.000 . 1 . . . . 135 Ala HA . 25387 1 1546 . 1 1 135 135 ALA HB1 H 1 1.362 0.002 . 1 . . . . 135 Ala HB1 . 25387 1 1547 . 1 1 135 135 ALA HB2 H 1 1.362 0.002 . 1 . . . . 135 Ala HB2 . 25387 1 1548 . 1 1 135 135 ALA HB3 H 1 1.362 0.002 . 1 . . . . 135 Ala HB3 . 25387 1 1549 . 1 1 135 135 ALA CA C 13 50.746 0.021 . 1 . . . . 135 Ala CA . 25387 1 1550 . 1 1 135 135 ALA CB C 13 19.456 0.001 . 1 . . . . 135 Ala CB . 25387 1 1551 . 1 1 135 135 ALA N N 15 128.287 0.033 . 1 . . . . 135 Ala N . 25387 1 1552 . 1 1 136 136 PRO HA H 1 4.311 0.004 . 1 . . . . 136 Pro HA . 25387 1 1553 . 1 1 136 136 PRO HB2 H 1 2.551 0.005 . 2 . . . . 136 Pro HB2 . 25387 1 1554 . 1 1 136 136 PRO HB3 H 1 2.119 0.001 . 2 . . . . 136 Pro HB3 . 25387 1 1555 . 1 1 136 136 PRO HG2 H 1 2.307 0.005 . 2 . . . . 136 Pro HG2 . 25387 1 1556 . 1 1 136 136 PRO HG3 H 1 2.120 0.004 . 2 . . . . 136 Pro HG3 . 25387 1 1557 . 1 1 136 136 PRO HD2 H 1 3.912 0.008 . 2 . . . . 136 Pro HD2 . 25387 1 1558 . 1 1 136 136 PRO HD3 H 1 3.845 0.005 . 2 . . . . 136 Pro HD3 . 25387 1 1559 . 1 1 136 136 PRO C C 13 175.561 0.000 . 1 . . . . 136 Pro C . 25387 1 1560 . 1 1 136 136 PRO CA C 13 65.410 0.033 . 1 . . . . 136 Pro CA . 25387 1 1561 . 1 1 136 136 PRO CB C 13 32.730 0.060 . 1 . . . . 136 Pro CB . 25387 1 1562 . 1 1 136 136 PRO CG C 13 27.999 0.053 . 1 . . . . 136 Pro CG . 25387 1 1563 . 1 1 136 136 PRO CD C 13 50.320 0.040 . 1 . . . . 136 Pro CD . 25387 1 1564 . 1 1 137 137 VAL H H 1 7.252 0.005 . 1 . . . . 137 Val H . 25387 1 1565 . 1 1 137 137 VAL HA H 1 4.936 0.004 . 1 . . . . 137 Val HA . 25387 1 1566 . 1 1 137 137 VAL HB H 1 2.235 0.006 . 1 . . . . 137 Val HB . 25387 1 1567 . 1 1 137 137 VAL HG11 H 1 0.637 0.005 . 2 . . . . 137 Val HG11 . 25387 1 1568 . 1 1 137 137 VAL HG12 H 1 0.637 0.005 . 2 . . . . 137 Val HG12 . 25387 1 1569 . 1 1 137 137 VAL HG13 H 1 0.637 0.005 . 2 . . . . 137 Val HG13 . 25387 1 1570 . 1 1 137 137 VAL HG21 H 1 1.049 0.005 . 2 . . . . 137 Val HG21 . 25387 1 1571 . 1 1 137 137 VAL HG22 H 1 1.049 0.005 . 2 . . . . 137 Val HG22 . 25387 1 1572 . 1 1 137 137 VAL HG23 H 1 1.049 0.005 . 2 . . . . 137 Val HG23 . 25387 1 1573 . 1 1 137 137 VAL C C 13 174.960 0.000 . 1 . . . . 137 Val C . 25387 1 1574 . 1 1 137 137 VAL CA C 13 60.683 0.047 . 1 . . . . 137 Val CA . 25387 1 1575 . 1 1 137 137 VAL CB C 13 33.747 0.066 . 1 . . . . 137 Val CB . 25387 1 1576 . 1 1 137 137 VAL CG1 C 13 21.725 0.048 . 2 . . . . 137 Val CG1 . 25387 1 1577 . 1 1 137 137 VAL CG2 C 13 22.411 0.015 . 2 . . . . 137 Val CG2 . 25387 1 1578 . 1 1 137 137 VAL N N 15 114.179 0.046 . 1 . . . . 137 Val N . 25387 1 1579 . 1 1 138 138 GLU H H 1 8.787 0.006 . 1 . . . . 138 Glu H . 25387 1 1580 . 1 1 138 138 GLU HA H 1 5.380 0.005 . 1 . . . . 138 Glu HA . 25387 1 1581 . 1 1 138 138 GLU HB2 H 1 2.110 0.003 . 2 . . . . 138 Glu HB2 . 25387 1 1582 . 1 1 138 138 GLU HB3 H 1 1.766 0.012 . 2 . . . . 138 Glu HB3 . 25387 1 1583 . 1 1 138 138 GLU HG2 H 1 2.365 0.004 . 1 . . . . 138 Glu HG2 . 25387 1 1584 . 1 1 138 138 GLU HG3 H 1 2.365 0.004 . 1 . . . . 138 Glu HG3 . 25387 1 1585 . 1 1 138 138 GLU C C 13 175.420 0.000 . 1 . . . . 138 Glu C . 25387 1 1586 . 1 1 138 138 GLU CA C 13 53.514 0.069 . 1 . . . . 138 Glu CA . 25387 1 1587 . 1 1 138 138 GLU CB C 13 31.814 0.060 . 1 . . . . 138 Glu CB . 25387 1 1588 . 1 1 138 138 GLU CG C 13 33.919 0.007 . 1 . . . . 138 Glu CG . 25387 1 1589 . 1 1 138 138 GLU N N 15 126.372 0.033 . 1 . . . . 138 Glu N . 25387 1 1590 . 1 1 139 139 VAL H H 1 8.901 0.003 . 1 . . . . 139 Val H . 25387 1 1591 . 1 1 139 139 VAL HA H 1 5.020 0.004 . 1 . . . . 139 Val HA . 25387 1 1592 . 1 1 139 139 VAL HB H 1 1.650 0.004 . 1 . . . . 139 Val HB . 25387 1 1593 . 1 1 139 139 VAL HG11 H 1 0.464 0.005 . 2 . . . . 139 Val HG11 . 25387 1 1594 . 1 1 139 139 VAL HG12 H 1 0.464 0.005 . 2 . . . . 139 Val HG12 . 25387 1 1595 . 1 1 139 139 VAL HG13 H 1 0.464 0.005 . 2 . . . . 139 Val HG13 . 25387 1 1596 . 1 1 139 139 VAL HG21 H 1 0.408 0.011 . 2 . . . . 139 Val HG21 . 25387 1 1597 . 1 1 139 139 VAL HG22 H 1 0.408 0.011 . 2 . . . . 139 Val HG22 . 25387 1 1598 . 1 1 139 139 VAL HG23 H 1 0.408 0.011 . 2 . . . . 139 Val HG23 . 25387 1 1599 . 1 1 139 139 VAL C C 13 173.450 0.000 . 1 . . . . 139 Val C . 25387 1 1600 . 1 1 139 139 VAL CA C 13 60.103 0.034 . 1 . . . . 139 Val CA . 25387 1 1601 . 1 1 139 139 VAL CB C 13 34.920 0.043 . 1 . . . . 139 Val CB . 25387 1 1602 . 1 1 139 139 VAL CG1 C 13 22.819 0.078 . 2 . . . . 139 Val CG1 . 25387 1 1603 . 1 1 139 139 VAL CG2 C 13 20.787 0.036 . 2 . . . . 139 Val CG2 . 25387 1 1604 . 1 1 139 139 VAL N N 15 121.624 0.032 . 1 . . . . 139 Val N . 25387 1 1605 . 1 1 140 140 ILE H H 1 9.068 0.003 . 1 . . . . 140 Ile H . 25387 1 1606 . 1 1 140 140 ILE HA H 1 4.196 0.004 . 1 . . . . 140 Ile HA . 25387 1 1607 . 1 1 140 140 ILE HB H 1 1.543 0.005 . 1 . . . . 140 Ile HB . 25387 1 1608 . 1 1 140 140 ILE HG12 H 1 0.763 0.000 . 1 . . . . 140 Ile HG12 . 25387 1 1609 . 1 1 140 140 ILE HG13 H 1 0.763 0.000 . 1 . . . . 140 Ile HG13 . 25387 1 1610 . 1 1 140 140 ILE HG21 H 1 0.724 0.005 . 1 . . . . 140 Ile HG21 . 25387 1 1611 . 1 1 140 140 ILE HG22 H 1 0.724 0.005 . 1 . . . . 140 Ile HG22 . 25387 1 1612 . 1 1 140 140 ILE HG23 H 1 0.724 0.005 . 1 . . . . 140 Ile HG23 . 25387 1 1613 . 1 1 140 140 ILE HD11 H 1 0.752 0.004 . 1 . . . . 140 Ile HD11 . 25387 1 1614 . 1 1 140 140 ILE HD12 H 1 0.752 0.004 . 1 . . . . 140 Ile HD12 . 25387 1 1615 . 1 1 140 140 ILE HD13 H 1 0.752 0.004 . 1 . . . . 140 Ile HD13 . 25387 1 1616 . 1 1 140 140 ILE C C 13 173.994 0.000 . 1 . . . . 140 Ile C . 25387 1 1617 . 1 1 140 140 ILE CA C 13 60.206 0.029 . 1 . . . . 140 Ile CA . 25387 1 1618 . 1 1 140 140 ILE CB C 13 41.683 0.055 . 1 . . . . 140 Ile CB . 25387 1 1619 . 1 1 140 140 ILE CG1 C 13 28.170 0.100 . 1 . . . . 140 Ile CG1 . 25387 1 1620 . 1 1 140 140 ILE CG2 C 13 17.198 0.049 . 1 . . . . 140 Ile CG2 . 25387 1 1621 . 1 1 140 140 ILE CD1 C 13 14.385 0.058 . 1 . . . . 140 Ile CD1 . 25387 1 1622 . 1 1 140 140 ILE N N 15 128.379 0.031 . 1 . . . . 140 Ile N . 25387 1 1623 . 1 1 141 141 VAL H H 1 8.702 0.004 . 1 . . . . 141 Val H . 25387 1 1624 . 1 1 141 141 VAL HA H 1 4.690 0.002 . 1 . . . . 141 Val HA . 25387 1 1625 . 1 1 141 141 VAL HB H 1 2.134 0.004 . 1 . . . . 141 Val HB . 25387 1 1626 . 1 1 141 141 VAL HG11 H 1 0.697 0.004 . 2 . . . . 141 Val HG11 . 25387 1 1627 . 1 1 141 141 VAL HG12 H 1 0.697 0.004 . 2 . . . . 141 Val HG12 . 25387 1 1628 . 1 1 141 141 VAL HG13 H 1 0.697 0.004 . 2 . . . . 141 Val HG13 . 25387 1 1629 . 1 1 141 141 VAL HG21 H 1 0.782 0.005 . 2 . . . . 141 Val HG21 . 25387 1 1630 . 1 1 141 141 VAL HG22 H 1 0.782 0.005 . 2 . . . . 141 Val HG22 . 25387 1 1631 . 1 1 141 141 VAL HG23 H 1 0.782 0.005 . 2 . . . . 141 Val HG23 . 25387 1 1632 . 1 1 141 141 VAL C C 13 173.935 0.000 . 1 . . . . 141 Val C . 25387 1 1633 . 1 1 141 141 VAL CA C 13 61.538 0.023 . 1 . . . . 141 Val CA . 25387 1 1634 . 1 1 141 141 VAL CB C 13 31.755 0.054 . 1 . . . . 141 Val CB . 25387 1 1635 . 1 1 141 141 VAL CG1 C 13 21.004 0.038 . 2 . . . . 141 Val CG1 . 25387 1 1636 . 1 1 141 141 VAL CG2 C 13 22.062 0.068 . 2 . . . . 141 Val CG2 . 25387 1 1637 . 1 1 141 141 VAL N N 15 128.889 0.035 . 1 . . . . 141 Val N . 25387 1 1638 . 1 1 142 142 LEU H H 1 9.007 0.003 . 1 . . . . 142 Leu H . 25387 1 1639 . 1 1 142 142 LEU HA H 1 4.899 0.003 . 1 . . . . 142 Leu HA . 25387 1 1640 . 1 1 142 142 LEU HB2 H 1 1.058 0.009 . 2 . . . . 142 Leu HB2 . 25387 1 1641 . 1 1 142 142 LEU HB3 H 1 1.773 0.007 . 2 . . . . 142 Leu HB3 . 25387 1 1642 . 1 1 142 142 LEU HG H 1 1.535 0.006 . 1 . . . . 142 Leu HG . 25387 1 1643 . 1 1 142 142 LEU HD11 H 1 0.777 0.005 . 2 . . . . 142 Leu HD11 . 25387 1 1644 . 1 1 142 142 LEU HD12 H 1 0.777 0.005 . 2 . . . . 142 Leu HD12 . 25387 1 1645 . 1 1 142 142 LEU HD13 H 1 0.777 0.005 . 2 . . . . 142 Leu HD13 . 25387 1 1646 . 1 1 142 142 LEU HD21 H 1 0.662 0.010 . 2 . . . . 142 Leu HD21 . 25387 1 1647 . 1 1 142 142 LEU HD22 H 1 0.662 0.010 . 2 . . . . 142 Leu HD22 . 25387 1 1648 . 1 1 142 142 LEU HD23 H 1 0.662 0.010 . 2 . . . . 142 Leu HD23 . 25387 1 1649 . 1 1 142 142 LEU C C 13 176.615 0.000 . 1 . . . . 142 Leu C . 25387 1 1650 . 1 1 142 142 LEU CA C 13 53.765 0.029 . 1 . . . . 142 Leu CA . 25387 1 1651 . 1 1 142 142 LEU CB C 13 46.102 0.052 . 1 . . . . 142 Leu CB . 25387 1 1652 . 1 1 142 142 LEU CG C 13 26.761 0.073 . 1 . . . . 142 Leu CG . 25387 1 1653 . 1 1 142 142 LEU CD1 C 13 23.760 0.087 . 2 . . . . 142 Leu CD1 . 25387 1 1654 . 1 1 142 142 LEU CD2 C 13 25.204 0.069 . 2 . . . . 142 Leu CD2 . 25387 1 1655 . 1 1 142 142 LEU N N 15 128.867 0.031 . 1 . . . . 142 Leu N . 25387 1 1656 . 1 1 143 143 THR H H 1 8.816 0.006 . 1 . . . . 143 Thr H . 25387 1 1657 . 1 1 143 143 THR HA H 1 5.070 0.004 . 1 . . . . 143 Thr HA . 25387 1 1658 . 1 1 143 143 THR HB H 1 4.689 0.006 . 1 . . . . 143 Thr HB . 25387 1 1659 . 1 1 143 143 THR HG21 H 1 1.261 0.009 . 1 . . . . 143 Thr HG21 . 25387 1 1660 . 1 1 143 143 THR HG22 H 1 1.261 0.009 . 1 . . . . 143 Thr HG22 . 25387 1 1661 . 1 1 143 143 THR HG23 H 1 1.261 0.009 . 1 . . . . 143 Thr HG23 . 25387 1 1662 . 1 1 143 143 THR C C 13 175.571 0.000 . 1 . . . . 143 Thr C . 25387 1 1663 . 1 1 143 143 THR CA C 13 60.248 0.106 . 1 . . . . 143 Thr CA . 25387 1 1664 . 1 1 143 143 THR CB C 13 71.705 0.081 . 1 . . . . 143 Thr CB . 25387 1 1665 . 1 1 143 143 THR CG2 C 13 21.824 0.015 . 1 . . . . 143 Thr CG2 . 25387 1 1666 . 1 1 143 143 THR N N 15 118.907 0.034 . 1 . . . . 143 Thr N . 25387 1 1667 . 1 1 144 144 ASN H H 1 9.150 0.003 . 1 . . . . 144 Asn H . 25387 1 1668 . 1 1 144 144 ASN HA H 1 4.437 0.001 . 1 . . . . 144 Asn HA . 25387 1 1669 . 1 1 144 144 ASN HB2 H 1 2.880 0.004 . 1 . . . . 144 Asn HB2 . 25387 1 1670 . 1 1 144 144 ASN HB3 H 1 2.880 0.004 . 1 . . . . 144 Asn HB3 . 25387 1 1671 . 1 1 144 144 ASN HD21 H 1 7.007 0.000 . 1 . . . . 144 Asn HD21 . 25387 1 1672 . 1 1 144 144 ASN HD22 H 1 7.686 0.000 . 1 . . . . 144 Asn HD22 . 25387 1 1673 . 1 1 144 144 ASN C C 13 175.619 0.000 . 1 . . . . 144 Asn C . 25387 1 1674 . 1 1 144 144 ASN CA C 13 55.861 0.055 . 1 . . . . 144 Asn CA . 25387 1 1675 . 1 1 144 144 ASN CB C 13 37.668 0.084 . 1 . . . . 144 Asn CB . 25387 1 1676 . 1 1 144 144 ASN N N 15 119.410 0.029 . 1 . . . . 144 Asn N . 25387 1 1677 . 1 1 144 144 ASN ND2 N 15 113.367 0.000 . 1 . . . . 144 Asn ND2 . 25387 1 1678 . 1 1 145 145 ALA H H 1 8.117 0.006 . 1 . . . . 145 Ala H . 25387 1 1679 . 1 1 145 145 ALA HA H 1 4.488 0.001 . 1 . . . . 145 Ala HA . 25387 1 1680 . 1 1 145 145 ALA HB1 H 1 1.333 0.004 . 1 . . . . 145 Ala HB1 . 25387 1 1681 . 1 1 145 145 ALA HB2 H 1 1.333 0.004 . 1 . . . . 145 Ala HB2 . 25387 1 1682 . 1 1 145 145 ALA HB3 H 1 1.333 0.004 . 1 . . . . 145 Ala HB3 . 25387 1 1683 . 1 1 145 145 ALA C C 13 176.870 0.000 . 1 . . . . 145 Ala C . 25387 1 1684 . 1 1 145 145 ALA CA C 13 51.895 0.038 . 1 . . . . 145 Ala CA . 25387 1 1685 . 1 1 145 145 ALA CB C 13 19.675 0.088 . 1 . . . . 145 Ala CB . 25387 1 1686 . 1 1 145 145 ALA N N 15 121.269 0.026 . 1 . . . . 145 Ala N . 25387 1 1687 . 1 1 146 146 GLY H H 1 7.521 0.002 . 1 . . . . 146 Gly H . 25387 1 1688 . 1 1 146 146 GLY HA2 H 1 3.492 0.004 . 2 . . . . 146 Gly HA2 . 25387 1 1689 . 1 1 146 146 GLY HA3 H 1 4.490 0.002 . 2 . . . . 146 Gly HA3 . 25387 1 1690 . 1 1 146 146 GLY C C 13 173.080 0.000 . 1 . . . . 146 Gly C . 25387 1 1691 . 1 1 146 146 GLY CA C 13 44.246 0.071 . 1 . . . . 146 Gly CA . 25387 1 1692 . 1 1 146 146 GLY N N 15 107.658 0.041 . 1 . . . . 146 Gly N . 25387 1 1693 . 1 1 147 147 LEU H H 1 8.697 0.004 . 1 . . . . 147 Leu H . 25387 1 1694 . 1 1 147 147 LEU HA H 1 4.769 0.007 . 1 . . . . 147 Leu HA . 25387 1 1695 . 1 1 147 147 LEU HB2 H 1 1.589 0.020 . 2 . . . . 147 Leu HB2 . 25387 1 1696 . 1 1 147 147 LEU HB3 H 1 1.633 0.015 . 2 . . . . 147 Leu HB3 . 25387 1 1697 . 1 1 147 147 LEU HG H 1 1.745 0.006 . 1 . . . . 147 Leu HG . 25387 1 1698 . 1 1 147 147 LEU HD11 H 1 0.792 0.002 . 1 . . . . 147 Leu HD11 . 25387 1 1699 . 1 1 147 147 LEU HD12 H 1 0.792 0.002 . 1 . . . . 147 Leu HD12 . 25387 1 1700 . 1 1 147 147 LEU HD13 H 1 0.792 0.002 . 1 . . . . 147 Leu HD13 . 25387 1 1701 . 1 1 147 147 LEU HD21 H 1 0.792 0.002 . 1 . . . . 147 Leu HD21 . 25387 1 1702 . 1 1 147 147 LEU HD22 H 1 0.792 0.002 . 1 . . . . 147 Leu HD22 . 25387 1 1703 . 1 1 147 147 LEU HD23 H 1 0.792 0.002 . 1 . . . . 147 Leu HD23 . 25387 1 1704 . 1 1 147 147 LEU C C 13 177.864 0.000 . 1 . . . . 147 Leu C . 25387 1 1705 . 1 1 147 147 LEU CA C 13 55.260 0.094 . 1 . . . . 147 Leu CA . 25387 1 1706 . 1 1 147 147 LEU CB C 13 42.260 0.043 . 1 . . . . 147 Leu CB . 25387 1 1707 . 1 1 147 147 LEU CG C 13 27.196 0.035 . 1 . . . . 147 Leu CG . 25387 1 1708 . 1 1 147 147 LEU CD1 C 13 26.282 0.000 . 2 . . . . 147 Leu CD1 . 25387 1 1709 . 1 1 147 147 LEU CD2 C 13 25.261 0.000 . 2 . . . . 147 Leu CD2 . 25387 1 1710 . 1 1 147 147 LEU N N 15 123.461 0.037 . 1 . . . . 147 Leu N . 25387 1 1711 . 1 1 148 148 MET H H 1 8.696 0.004 . 1 . . . . 148 Met H . 25387 1 1712 . 1 1 148 148 MET HA H 1 4.533 0.004 . 1 . . . . 148 Met HA . 25387 1 1713 . 1 1 148 148 MET HB2 H 1 1.780 0.003 . 2 . . . . 148 Met HB2 . 25387 1 1714 . 1 1 148 148 MET HB3 H 1 1.969 0.002 . 2 . . . . 148 Met HB3 . 25387 1 1715 . 1 1 148 148 MET HG2 H 1 2.442 0.005 . 2 . . . . 148 Met HG2 . 25387 1 1716 . 1 1 148 148 MET HG3 H 1 2.509 0.022 . 2 . . . . 148 Met HG3 . 25387 1 1717 . 1 1 148 148 MET C C 13 175.750 0.000 . 1 . . . . 148 Met C . 25387 1 1718 . 1 1 148 148 MET CA C 13 55.638 0.048 . 1 . . . . 148 Met CA . 25387 1 1719 . 1 1 148 148 MET CB C 13 34.041 0.066 . 1 . . . . 148 Met CB . 25387 1 1720 . 1 1 148 148 MET CG C 13 32.776 0.039 . 1 . . . . 148 Met CG . 25387 1 1721 . 1 1 148 148 MET N N 15 125.487 0.036 . 1 . . . . 148 Met N . 25387 1 1722 . 1 1 149 149 GLY H H 1 8.507 0.002 . 1 . . . . 149 Gly H . 25387 1 1723 . 1 1 149 149 GLY HA2 H 1 4.330 0.004 . 2 . . . . 149 Gly HA2 . 25387 1 1724 . 1 1 149 149 GLY HA3 H 1 3.753 0.003 . 2 . . . . 149 Gly HA3 . 25387 1 1725 . 1 1 149 149 GLY C C 13 173.411 0.000 . 1 . . . . 149 Gly C . 25387 1 1726 . 1 1 149 149 GLY CA C 13 44.984 0.079 . 1 . . . . 149 Gly CA . 25387 1 1727 . 1 1 149 149 GLY N N 15 112.099 0.025 . 1 . . . . 149 Gly N . 25387 1 1728 . 1 1 150 150 ASP H H 1 8.218 0.003 . 1 . . . . 150 Asp H . 25387 1 1729 . 1 1 150 150 ASP HA H 1 4.530 0.003 . 1 . . . . 150 Asp HA . 25387 1 1730 . 1 1 150 150 ASP HB2 H 1 2.595 0.001 . 2 . . . . 150 Asp HB2 . 25387 1 1731 . 1 1 150 150 ASP HB3 H 1 2.681 0.004 . 2 . . . . 150 Asp HB3 . 25387 1 1732 . 1 1 150 150 ASP C C 13 174.633 0.000 . 1 . . . . 150 Asp C . 25387 1 1733 . 1 1 150 150 ASP CA C 13 54.344 0.040 . 1 . . . . 150 Asp CA . 25387 1 1734 . 1 1 150 150 ASP CB C 13 40.591 0.059 . 1 . . . . 150 Asp CB . 25387 1 1735 . 1 1 150 150 ASP N N 15 118.286 0.037 . 1 . . . . 150 Asp N . 25387 1 1736 . 1 1 151 151 VAL H H 1 6.973 0.003 . 1 . . . . 151 Val H . 25387 1 1737 . 1 1 151 151 VAL HA H 1 4.300 0.001 . 1 . . . . 151 Val HA . 25387 1 1738 . 1 1 151 151 VAL HB H 1 1.940 0.003 . 1 . . . . 151 Val HB . 25387 1 1739 . 1 1 151 151 VAL HG11 H 1 0.755 0.013 . 2 . . . . 151 Val HG11 . 25387 1 1740 . 1 1 151 151 VAL HG12 H 1 0.755 0.013 . 2 . . . . 151 Val HG12 . 25387 1 1741 . 1 1 151 151 VAL HG13 H 1 0.755 0.013 . 2 . . . . 151 Val HG13 . 25387 1 1742 . 1 1 151 151 VAL HG21 H 1 0.747 0.003 . 2 . . . . 151 Val HG21 . 25387 1 1743 . 1 1 151 151 VAL HG22 H 1 0.747 0.003 . 2 . . . . 151 Val HG22 . 25387 1 1744 . 1 1 151 151 VAL HG23 H 1 0.747 0.003 . 2 . . . . 151 Val HG23 . 25387 1 1745 . 1 1 151 151 VAL C C 13 173.545 0.000 . 1 . . . . 151 Val C . 25387 1 1746 . 1 1 151 151 VAL CA C 13 60.156 0.075 . 1 . . . . 151 Val CA . 25387 1 1747 . 1 1 151 151 VAL CB C 13 33.976 0.082 . 1 . . . . 151 Val CB . 25387 1 1748 . 1 1 151 151 VAL CG1 C 13 20.868 0.000 . 2 . . . . 151 Val CG1 . 25387 1 1749 . 1 1 151 151 VAL CG2 C 13 20.326 0.061 . 2 . . . . 151 Val CG2 . 25387 1 1750 . 1 1 151 151 VAL N N 15 117.934 0.036 . 1 . . . . 151 Val N . 25387 1 1751 . 1 1 152 152 SER H H 1 8.341 0.002 . 1 . . . . 152 Ser H . 25387 1 1752 . 1 1 152 152 SER HA H 1 4.653 0.005 . 1 . . . . 152 Ser HA . 25387 1 1753 . 1 1 152 152 SER HB2 H 1 3.825 0.000 . 2 . . . . 152 Ser HB2 . 25387 1 1754 . 1 1 152 152 SER HB3 H 1 3.867 0.006 . 2 . . . . 152 Ser HB3 . 25387 1 1755 . 1 1 152 152 SER C C 13 175.682 0.000 . 1 . . . . 152 Ser C . 25387 1 1756 . 1 1 152 152 SER CA C 13 57.041 0.090 . 1 . . . . 152 Ser CA . 25387 1 1757 . 1 1 152 152 SER CB C 13 63.495 0.059 . 1 . . . . 152 Ser CB . 25387 1 1758 . 1 1 152 152 SER N N 15 119.443 0.021 . 1 . . . . 152 Ser N . 25387 1 1759 . 1 1 153 153 ILE H H 1 8.833 0.005 . 1 . . . . 153 Ile H . 25387 1 1760 . 1 1 153 153 ILE HA H 1 4.325 0.004 . 1 . . . . 153 Ile HA . 25387 1 1761 . 1 1 153 153 ILE HB H 1 1.892 0.003 . 1 . . . . 153 Ile HB . 25387 1 1762 . 1 1 153 153 ILE HG12 H 1 1.323 0.006 . 1 . . . . 153 Ile HG12 . 25387 1 1763 . 1 1 153 153 ILE HG13 H 1 1.323 0.006 . 1 . . . . 153 Ile HG13 . 25387 1 1764 . 1 1 153 153 ILE HG21 H 1 0.858 0.006 . 1 . . . . 153 Ile HG21 . 25387 1 1765 . 1 1 153 153 ILE HG22 H 1 0.858 0.006 . 1 . . . . 153 Ile HG22 . 25387 1 1766 . 1 1 153 153 ILE HG23 H 1 0.858 0.006 . 1 . . . . 153 Ile HG23 . 25387 1 1767 . 1 1 153 153 ILE HD11 H 1 0.701 0.010 . 1 . . . . 153 Ile HD11 . 25387 1 1768 . 1 1 153 153 ILE HD12 H 1 0.701 0.010 . 1 . . . . 153 Ile HD12 . 25387 1 1769 . 1 1 153 153 ILE HD13 H 1 0.701 0.010 . 1 . . . . 153 Ile HD13 . 25387 1 1770 . 1 1 153 153 ILE C C 13 176.854 0.000 . 1 . . . . 153 Ile C . 25387 1 1771 . 1 1 153 153 ILE CA C 13 59.185 0.094 . 1 . . . . 153 Ile CA . 25387 1 1772 . 1 1 153 153 ILE CB C 13 39.263 0.060 . 1 . . . . 153 Ile CB . 25387 1 1773 . 1 1 153 153 ILE CG1 C 13 27.711 0.010 . 1 . . . . 153 Ile CG1 . 25387 1 1774 . 1 1 153 153 ILE CG2 C 13 18.407 0.074 . 1 . . . . 153 Ile CG2 . 25387 1 1775 . 1 1 153 153 ILE CD1 C 13 13.593 0.055 . 1 . . . . 153 Ile CD1 . 25387 1 1776 . 1 1 153 153 ILE N N 15 123.849 0.068 . 1 . . . . 153 Ile N . 25387 1 1777 . 1 1 154 154 SER H H 1 8.015 0.003 . 1 . . . . 154 Ser H . 25387 1 1778 . 1 1 154 154 SER HA H 1 4.166 0.000 . 1 . . . . 154 Ser HA . 25387 1 1779 . 1 1 154 154 SER HB2 H 1 3.818 0.000 . 1 . . . . 154 Ser HB2 . 25387 1 1780 . 1 1 154 154 SER HB3 H 1 3.818 0.000 . 1 . . . . 154 Ser HB3 . 25387 1 1781 . 1 1 154 154 SER HG H 1 3.942 0.000 . 1 . . . . 154 Ser HG . 25387 1 1782 . 1 1 154 154 SER C C 13 174.456 0.000 . 1 . . . . 154 Ser C . 25387 1 1783 . 1 1 154 154 SER CA C 13 60.418 0.050 . 1 . . . . 154 Ser CA . 25387 1 1784 . 1 1 154 154 SER CB C 13 62.603 0.079 . 1 . . . . 154 Ser CB . 25387 1 1785 . 1 1 154 154 SER N N 15 120.291 0.052 . 1 . . . . 154 Ser N . 25387 1 1786 . 1 1 155 155 GLY H H 1 8.784 0.004 . 1 . . . . 155 Gly H . 25387 1 1787 . 1 1 155 155 GLY HA2 H 1 4.340 0.008 . 2 . . . . 155 Gly HA2 . 25387 1 1788 . 1 1 155 155 GLY HA3 H 1 3.555 0.006 . 2 . . . . 155 Gly HA3 . 25387 1 1789 . 1 1 155 155 GLY C C 13 174.539 0.000 . 1 . . . . 155 Gly C . 25387 1 1790 . 1 1 155 155 GLY CA C 13 44.649 0.097 . 1 . . . . 155 Gly CA . 25387 1 1791 . 1 1 155 155 GLY N N 15 114.483 0.040 . 1 . . . . 155 Gly N . 25387 1 1792 . 1 1 156 156 THR H H 1 7.751 0.003 . 1 . . . . 156 Thr H . 25387 1 1793 . 1 1 156 156 THR HA H 1 4.299 0.005 . 1 . . . . 156 Thr HA . 25387 1 1794 . 1 1 156 156 THR HB H 1 4.066 0.006 . 1 . . . . 156 Thr HB . 25387 1 1795 . 1 1 156 156 THR HG21 H 1 1.268 0.004 . 1 . . . . 156 Thr HG21 . 25387 1 1796 . 1 1 156 156 THR HG22 H 1 1.268 0.004 . 1 . . . . 156 Thr HG22 . 25387 1 1797 . 1 1 156 156 THR HG23 H 1 1.268 0.004 . 1 . . . . 156 Thr HG23 . 25387 1 1798 . 1 1 156 156 THR C C 13 173.161 0.000 . 1 . . . . 156 Thr C . 25387 1 1799 . 1 1 156 156 THR CA C 13 64.593 0.071 . 1 . . . . 156 Thr CA . 25387 1 1800 . 1 1 156 156 THR CB C 13 69.390 0.065 . 1 . . . . 156 Thr CB . 25387 1 1801 . 1 1 156 156 THR CG2 C 13 20.928 0.088 . 1 . . . . 156 Thr CG2 . 25387 1 1802 . 1 1 156 156 THR N N 15 119.292 0.024 . 1 . . . . 156 Thr N . 25387 1 1803 . 1 1 157 157 LYS H H 1 8.728 0.016 . 1 . . . . 157 Lys H . 25387 1 1804 . 1 1 157 157 LYS HA H 1 5.245 0.022 . 1 . . . . 157 Lys HA . 25387 1 1805 . 1 1 157 157 LYS HB2 H 1 1.682 0.003 . 2 . . . . 157 Lys HB2 . 25387 1 1806 . 1 1 157 157 LYS HB3 H 1 1.856 0.005 . 2 . . . . 157 Lys HB3 . 25387 1 1807 . 1 1 157 157 LYS HG2 H 1 1.260 0.006 . 2 . . . . 157 Lys HG2 . 25387 1 1808 . 1 1 157 157 LYS HG3 H 1 1.349 0.004 . 2 . . . . 157 Lys HG3 . 25387 1 1809 . 1 1 157 157 LYS HD2 H 1 1.619 0.008 . 1 . . . . 157 Lys HD2 . 25387 1 1810 . 1 1 157 157 LYS HD3 H 1 1.619 0.008 . 1 . . . . 157 Lys HD3 . 25387 1 1811 . 1 1 157 157 LYS HE2 H 1 2.856 0.005 . 2 . . . . 157 Lys HE2 . 25387 1 1812 . 1 1 157 157 LYS HE3 H 1 2.856 0.005 . 2 . . . . 157 Lys HE3 . 25387 1 1813 . 1 1 157 157 LYS C C 13 175.396 0.000 . 1 . . . . 157 Lys C . 25387 1 1814 . 1 1 157 157 LYS CA C 13 55.388 0.094 . 1 . . . . 157 Lys CA . 25387 1 1815 . 1 1 157 157 LYS CB C 13 35.711 0.053 . 1 . . . . 157 Lys CB . 25387 1 1816 . 1 1 157 157 LYS CG C 13 25.501 0.044 . 1 . . . . 157 Lys CG . 25387 1 1817 . 1 1 157 157 LYS CD C 13 29.356 0.065 . 1 . . . . 157 Lys CD . 25387 1 1818 . 1 1 157 157 LYS CE C 13 42.011 0.085 . 1 . . . . 157 Lys CE . 25387 1 1819 . 1 1 157 157 LYS N N 15 129.666 0.026 . 1 . . . . 157 Lys N . 25387 1 1820 . 1 1 158 158 VAL H H 1 9.421 0.006 . 1 . . . . 158 Val H . 25387 1 1821 . 1 1 158 158 VAL HA H 1 5.264 0.005 . 1 . . . . 158 Val HA . 25387 1 1822 . 1 1 158 158 VAL HB H 1 2.481 0.007 . 1 . . . . 158 Val HB . 25387 1 1823 . 1 1 158 158 VAL HG11 H 1 0.998 0.006 . 2 . . . . 158 Val HG11 . 25387 1 1824 . 1 1 158 158 VAL HG12 H 1 0.998 0.006 . 2 . . . . 158 Val HG12 . 25387 1 1825 . 1 1 158 158 VAL HG13 H 1 0.998 0.006 . 2 . . . . 158 Val HG13 . 25387 1 1826 . 1 1 158 158 VAL HG21 H 1 1.363 0.010 . 2 . . . . 158 Val HG21 . 25387 1 1827 . 1 1 158 158 VAL HG22 H 1 1.363 0.010 . 2 . . . . 158 Val HG22 . 25387 1 1828 . 1 1 158 158 VAL HG23 H 1 1.363 0.010 . 2 . . . . 158 Val HG23 . 25387 1 1829 . 1 1 158 158 VAL C C 13 175.890 0.000 . 1 . . . . 158 Val C . 25387 1 1830 . 1 1 158 158 VAL CA C 13 61.119 0.062 . 1 . . . . 158 Val CA . 25387 1 1831 . 1 1 158 158 VAL CB C 13 35.620 0.037 . 1 . . . . 158 Val CB . 25387 1 1832 . 1 1 158 158 VAL CG1 C 13 20.958 0.031 . 2 . . . . 158 Val CG1 . 25387 1 1833 . 1 1 158 158 VAL CG2 C 13 24.021 0.120 . 2 . . . . 158 Val CG2 . 25387 1 1834 . 1 1 158 158 VAL N N 15 125.023 0.035 . 1 . . . . 158 Val N . 25387 1 1835 . 1 1 159 159 THR H H 1 9.519 0.006 . 1 . . . . 159 Thr H . 25387 1 1836 . 1 1 159 159 THR HA H 1 5.046 0.010 . 1 . . . . 159 Thr HA . 25387 1 1837 . 1 1 159 159 THR HB H 1 4.303 0.006 . 1 . . . . 159 Thr HB . 25387 1 1838 . 1 1 159 159 THR HG21 H 1 1.308 0.019 . 1 . . . . 159 Thr HG21 . 25387 1 1839 . 1 1 159 159 THR HG22 H 1 1.308 0.019 . 1 . . . . 159 Thr HG22 . 25387 1 1840 . 1 1 159 159 THR HG23 H 1 1.308 0.019 . 1 . . . . 159 Thr HG23 . 25387 1 1841 . 1 1 159 159 THR C C 13 173.535 0.000 . 1 . . . . 159 Thr C . 25387 1 1842 . 1 1 159 159 THR CA C 13 60.262 0.048 . 1 . . . . 159 Thr CA . 25387 1 1843 . 1 1 159 159 THR CB C 13 71.993 0.068 . 1 . . . . 159 Thr CB . 25387 1 1844 . 1 1 159 159 THR CG2 C 13 22.013 0.157 . 1 . . . . 159 Thr CG2 . 25387 1 1845 . 1 1 159 159 THR N N 15 120.650 0.036 . 1 . . . . 159 Thr N . 25387 1 1846 . 1 1 160 160 LYS H H 1 8.895 0.003 . 1 . . . . 160 Lys H . 25387 1 1847 . 1 1 160 160 LYS HA H 1 4.045 0.003 . 1 . . . . 160 Lys HA . 25387 1 1848 . 1 1 160 160 LYS HB2 H 1 1.763 0.004 . 2 . . . . 160 Lys HB2 . 25387 1 1849 . 1 1 160 160 LYS HB3 H 1 1.705 0.008 . 2 . . . . 160 Lys HB3 . 25387 1 1850 . 1 1 160 160 LYS HG2 H 1 1.339 0.005 . 2 . . . . 160 Lys HG2 . 25387 1 1851 . 1 1 160 160 LYS HG3 H 1 1.247 0.007 . 2 . . . . 160 Lys HG3 . 25387 1 1852 . 1 1 160 160 LYS HD2 H 1 1.677 0.001 . 1 . . . . 160 Lys HD2 . 25387 1 1853 . 1 1 160 160 LYS HD3 H 1 1.677 0.001 . 1 . . . . 160 Lys HD3 . 25387 1 1854 . 1 1 160 160 LYS HE2 H 1 3.029 0.005 . 1 . . . . 160 Lys HE2 . 25387 1 1855 . 1 1 160 160 LYS HE3 H 1 3.029 0.005 . 1 . . . . 160 Lys HE3 . 25387 1 1856 . 1 1 160 160 LYS C C 13 176.387 0.000 . 1 . . . . 160 Lys C . 25387 1 1857 . 1 1 160 160 LYS CA C 13 57.756 0.062 . 1 . . . . 160 Lys CA . 25387 1 1858 . 1 1 160 160 LYS CB C 13 33.825 0.047 . 1 . . . . 160 Lys CB . 25387 1 1859 . 1 1 160 160 LYS CG C 13 25.485 0.067 . 1 . . . . 160 Lys CG . 25387 1 1860 . 1 1 160 160 LYS CD C 13 29.690 0.105 . 1 . . . . 160 Lys CD . 25387 1 1861 . 1 1 160 160 LYS CE C 13 42.318 0.125 . 1 . . . . 160 Lys CE . 25387 1 1862 . 1 1 160 160 LYS N N 15 125.221 0.029 . 1 . . . . 160 Lys N . 25387 1 1863 . 1 1 161 161 LEU H H 1 8.519 0.003 . 1 . . . . 161 Leu H . 25387 1 1864 . 1 1 161 161 LEU HA H 1 4.499 0.002 . 1 . . . . 161 Leu HA . 25387 1 1865 . 1 1 161 161 LEU HB2 H 1 1.262 0.004 . 2 . . . . 161 Leu HB2 . 25387 1 1866 . 1 1 161 161 LEU HB3 H 1 1.395 0.006 . 2 . . . . 161 Leu HB3 . 25387 1 1867 . 1 1 161 161 LEU HG H 1 1.360 0.004 . 1 . . . . 161 Leu HG . 25387 1 1868 . 1 1 161 161 LEU HD11 H 1 0.872 0.004 . 2 . . . . 161 Leu HD11 . 25387 1 1869 . 1 1 161 161 LEU HD12 H 1 0.872 0.004 . 2 . . . . 161 Leu HD12 . 25387 1 1870 . 1 1 161 161 LEU HD13 H 1 0.872 0.004 . 2 . . . . 161 Leu HD13 . 25387 1 1871 . 1 1 161 161 LEU HD21 H 1 0.868 0.008 . 2 . . . . 161 Leu HD21 . 25387 1 1872 . 1 1 161 161 LEU HD22 H 1 0.868 0.008 . 2 . . . . 161 Leu HD22 . 25387 1 1873 . 1 1 161 161 LEU HD23 H 1 0.868 0.008 . 2 . . . . 161 Leu HD23 . 25387 1 1874 . 1 1 161 161 LEU C C 13 176.237 0.000 . 1 . . . . 161 Leu C . 25387 1 1875 . 1 1 161 161 LEU CA C 13 53.567 0.060 . 1 . . . . 161 Leu CA . 25387 1 1876 . 1 1 161 161 LEU CB C 13 44.282 0.040 . 1 . . . . 161 Leu CB . 25387 1 1877 . 1 1 161 161 LEU CG C 13 27.051 0.093 . 1 . . . . 161 Leu CG . 25387 1 1878 . 1 1 161 161 LEU CD1 C 13 24.324 0.100 . 2 . . . . 161 Leu CD1 . 25387 1 1879 . 1 1 161 161 LEU CD2 C 13 24.403 0.101 . 2 . . . . 161 Leu CD2 . 25387 1 1880 . 1 1 161 161 LEU N N 15 128.050 0.024 . 1 . . . . 161 Leu N . 25387 1 1881 . 1 1 162 162 LYS H H 1 8.835 0.003 . 1 . . . . 162 Lys H . 25387 1 1882 . 1 1 162 162 LYS HA H 1 4.462 0.005 . 1 . . . . 162 Lys HA . 25387 1 1883 . 1 1 162 162 LYS HB2 H 1 1.690 0.003 . 2 . . . . 162 Lys HB2 . 25387 1 1884 . 1 1 162 162 LYS HB3 H 1 1.853 0.005 . 2 . . . . 162 Lys HB3 . 25387 1 1885 . 1 1 162 162 LYS HG2 H 1 1.392 0.036 . 2 . . . . 162 Lys HG2 . 25387 1 1886 . 1 1 162 162 LYS HG3 H 1 1.339 0.036 . 2 . . . . 162 Lys HG3 . 25387 1 1887 . 1 1 162 162 LYS HD2 H 1 1.686 0.000 . 1 . . . . 162 Lys HD2 . 25387 1 1888 . 1 1 162 162 LYS HD3 H 1 1.686 0.000 . 1 . . . . 162 Lys HD3 . 25387 1 1889 . 1 1 162 162 LYS HE2 H 1 2.993 0.005 . 2 . . . . 162 Lys HE2 . 25387 1 1890 . 1 1 162 162 LYS HE3 H 1 2.992 0.005 . 2 . . . . 162 Lys HE3 . 25387 1 1891 . 1 1 162 162 LYS C C 13 175.278 0.000 . 1 . . . . 162 Lys C . 25387 1 1892 . 1 1 162 162 LYS CA C 13 55.760 0.078 . 1 . . . . 162 Lys CA . 25387 1 1893 . 1 1 162 162 LYS CB C 13 30.282 0.035 . 1 . . . . 162 Lys CB . 25387 1 1894 . 1 1 162 162 LYS CG C 13 24.954 0.096 . 1 . . . . 162 Lys CG . 25387 1 1895 . 1 1 162 162 LYS CD C 13 29.392 0.062 . 1 . . . . 162 Lys CD . 25387 1 1896 . 1 1 162 162 LYS CE C 13 42.024 0.121 . 1 . . . . 162 Lys CE . 25387 1 1897 . 1 1 162 162 LYS N N 15 128.689 0.016 . 1 . . . . 162 Lys N . 25387 1 1898 . 1 1 163 163 ILE H H 1 7.081 0.003 . 1 . . . . 163 Ile H . 25387 1 1899 . 1 1 163 163 ILE HA H 1 4.220 0.001 . 1 . . . . 163 Ile HA . 25387 1 1900 . 1 1 163 163 ILE HB H 1 1.814 0.004 . 1 . . . . 163 Ile HB . 25387 1 1901 . 1 1 163 163 ILE HG12 H 1 0.699 0.011 . 2 . . . . 163 Ile HG12 . 25387 1 1902 . 1 1 163 163 ILE HG13 H 1 0.923 0.008 . 2 . . . . 163 Ile HG13 . 25387 1 1903 . 1 1 163 163 ILE HG21 H 1 0.694 0.006 . 1 . . . . 163 Ile HG21 . 25387 1 1904 . 1 1 163 163 ILE HG22 H 1 0.694 0.006 . 1 . . . . 163 Ile HG22 . 25387 1 1905 . 1 1 163 163 ILE HG23 H 1 0.694 0.006 . 1 . . . . 163 Ile HG23 . 25387 1 1906 . 1 1 163 163 ILE HD11 H 1 0.312 0.006 . 1 . . . . 163 Ile HD11 . 25387 1 1907 . 1 1 163 163 ILE HD12 H 1 0.312 0.006 . 1 . . . . 163 Ile HD12 . 25387 1 1908 . 1 1 163 163 ILE HD13 H 1 0.312 0.006 . 1 . . . . 163 Ile HD13 . 25387 1 1909 . 1 1 163 163 ILE CA C 13 61.892 0.038 . 1 . . . . 163 Ile CA . 25387 1 1910 . 1 1 163 163 ILE CB C 13 41.127 0.049 . 1 . . . . 163 Ile CB . 25387 1 1911 . 1 1 163 163 ILE CG1 C 13 25.186 0.068 . 1 . . . . 163 Ile CG1 . 25387 1 1912 . 1 1 163 163 ILE CG2 C 13 17.746 0.053 . 1 . . . . 163 Ile CG2 . 25387 1 1913 . 1 1 163 163 ILE CD1 C 13 14.471 0.034 . 1 . . . . 163 Ile CD1 . 25387 1 1914 . 1 1 163 163 ILE N N 15 124.109 0.037 . 1 . . . . 163 Ile N . 25387 1 stop_ save_