data_50811 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50811 _Entry.Title ; NMR resonance assignment of the green kiwi fruit allergen Act d 8.0101 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-03-09 _Entry.Accession_date 2021-03-09 _Entry.Last_release_date 2021-03-09 _Entry.Original_release_date 2021-03-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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 Ricarda Zeindl . . . 0000-0003-2882-1786 50811 2 Martin Tollinger . . . 0000-0002-2177-983X 50811 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50811 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 668 50811 '15N chemical shifts' 150 50811 '1H chemical shifts' 980 50811 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 . . 2021-11-15 2021-03-09 update BMRB 'update entry citation' 50811 1 . . 2021-06-25 2021-03-09 original author 'original release' 50811 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50812 'golden kiwi fruit allergen Act c 8.0101' 50811 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50811 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34106433 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; NMR resonance assignments of the PR-10 allergens Act c 8 and Act d 8 from golden and green kiwifruit ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 15 _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 367 _Citation.Page_last 371 _Citation.Year 2021 _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 Ricarda Zeindl . . . . 50811 1 2 Martin Tollinger . . . . 50811 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50811 _Assembly.ID 1 _Assembly.Name 'Act d 8.0101' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'Act d 8.0101' 1 $entity_1 . . yes native no no . . . 50811 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50811 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GAITYDMEIPSSISAEKMFK AFVLDGDTIIPKALPHAITG VQTLEGDGGVGTIKLTTFGE GSVHKSVKHRIDGLDKENFT YSYSIIEGGALDVFESISYH IKIVATPDGGCICKNRSIYT PKCDAQVSEEEIKAGKERAS GIFKKVEAYLLANPDC ; _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 156 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 . 50811 1 2 . ALA . 50811 1 3 . ILE . 50811 1 4 . THR . 50811 1 5 . TYR . 50811 1 6 . ASP . 50811 1 7 . MET . 50811 1 8 . GLU . 50811 1 9 . ILE . 50811 1 10 . PRO . 50811 1 11 . SER . 50811 1 12 . SER . 50811 1 13 . ILE . 50811 1 14 . SER . 50811 1 15 . ALA . 50811 1 16 . GLU . 50811 1 17 . LYS . 50811 1 18 . MET . 50811 1 19 . PHE . 50811 1 20 . LYS . 50811 1 21 . ALA . 50811 1 22 . PHE . 50811 1 23 . VAL . 50811 1 24 . LEU . 50811 1 25 . ASP . 50811 1 26 . GLY . 50811 1 27 . ASP . 50811 1 28 . THR . 50811 1 29 . ILE . 50811 1 30 . ILE . 50811 1 31 . PRO . 50811 1 32 . LYS . 50811 1 33 . ALA . 50811 1 34 . LEU . 50811 1 35 . PRO . 50811 1 36 . HIS . 50811 1 37 . ALA . 50811 1 38 . ILE . 50811 1 39 . THR . 50811 1 40 . GLY . 50811 1 41 . VAL . 50811 1 42 . GLN . 50811 1 43 . THR . 50811 1 44 . LEU . 50811 1 45 . GLU . 50811 1 46 . GLY . 50811 1 47 . ASP . 50811 1 48 . GLY . 50811 1 49 . GLY . 50811 1 50 . VAL . 50811 1 51 . GLY . 50811 1 52 . THR . 50811 1 53 . ILE . 50811 1 54 . LYS . 50811 1 55 . LEU . 50811 1 56 . THR . 50811 1 57 . THR . 50811 1 58 . PHE . 50811 1 59 . GLY . 50811 1 60 . GLU . 50811 1 61 . GLY . 50811 1 62 . SER . 50811 1 63 . VAL . 50811 1 64 . HIS . 50811 1 65 . LYS . 50811 1 66 . SER . 50811 1 67 . VAL . 50811 1 68 . LYS . 50811 1 69 . HIS . 50811 1 70 . ARG . 50811 1 71 . ILE . 50811 1 72 . ASP . 50811 1 73 . GLY . 50811 1 74 . LEU . 50811 1 75 . ASP . 50811 1 76 . LYS . 50811 1 77 . GLU . 50811 1 78 . ASN . 50811 1 79 . PHE . 50811 1 80 . THR . 50811 1 81 . TYR . 50811 1 82 . SER . 50811 1 83 . TYR . 50811 1 84 . SER . 50811 1 85 . ILE . 50811 1 86 . ILE . 50811 1 87 . GLU . 50811 1 88 . GLY . 50811 1 89 . GLY . 50811 1 90 . ALA . 50811 1 91 . LEU . 50811 1 92 . ASP . 50811 1 93 . VAL . 50811 1 94 . PHE . 50811 1 95 . GLU . 50811 1 96 . SER . 50811 1 97 . ILE . 50811 1 98 . SER . 50811 1 99 . TYR . 50811 1 100 . HIS . 50811 1 101 . ILE . 50811 1 102 . LYS . 50811 1 103 . ILE . 50811 1 104 . VAL . 50811 1 105 . ALA . 50811 1 106 . THR . 50811 1 107 . PRO . 50811 1 108 . ASP . 50811 1 109 . GLY . 50811 1 110 . GLY . 50811 1 111 . CYS . 50811 1 112 . ILE . 50811 1 113 . CYS . 50811 1 114 . LYS . 50811 1 115 . ASN . 50811 1 116 . ARG . 50811 1 117 . SER . 50811 1 118 . ILE . 50811 1 119 . TYR . 50811 1 120 . THR . 50811 1 121 . PRO . 50811 1 122 . LYS . 50811 1 123 . CYS . 50811 1 124 . ASP . 50811 1 125 . ALA . 50811 1 126 . GLN . 50811 1 127 . VAL . 50811 1 128 . SER . 50811 1 129 . GLU . 50811 1 130 . GLU . 50811 1 131 . GLU . 50811 1 132 . ILE . 50811 1 133 . LYS . 50811 1 134 . ALA . 50811 1 135 . GLY . 50811 1 136 . LYS . 50811 1 137 . GLU . 50811 1 138 . ARG . 50811 1 139 . ALA . 50811 1 140 . SER . 50811 1 141 . GLY . 50811 1 142 . ILE . 50811 1 143 . PHE . 50811 1 144 . LYS . 50811 1 145 . LYS . 50811 1 146 . VAL . 50811 1 147 . GLU . 50811 1 148 . ALA . 50811 1 149 . TYR . 50811 1 150 . LEU . 50811 1 151 . LEU . 50811 1 152 . ALA . 50811 1 153 . ASN . 50811 1 154 . PRO . 50811 1 155 . ASP . 50811 1 156 . CYS . 50811 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 50811 1 . ALA 2 2 50811 1 . ILE 3 3 50811 1 . THR 4 4 50811 1 . TYR 5 5 50811 1 . ASP 6 6 50811 1 . MET 7 7 50811 1 . GLU 8 8 50811 1 . ILE 9 9 50811 1 . PRO 10 10 50811 1 . SER 11 11 50811 1 . SER 12 12 50811 1 . ILE 13 13 50811 1 . SER 14 14 50811 1 . ALA 15 15 50811 1 . GLU 16 16 50811 1 . LYS 17 17 50811 1 . MET 18 18 50811 1 . PHE 19 19 50811 1 . LYS 20 20 50811 1 . ALA 21 21 50811 1 . PHE 22 22 50811 1 . VAL 23 23 50811 1 . LEU 24 24 50811 1 . ASP 25 25 50811 1 . GLY 26 26 50811 1 . ASP 27 27 50811 1 . THR 28 28 50811 1 . ILE 29 29 50811 1 . ILE 30 30 50811 1 . PRO 31 31 50811 1 . LYS 32 32 50811 1 . ALA 33 33 50811 1 . LEU 34 34 50811 1 . PRO 35 35 50811 1 . HIS 36 36 50811 1 . ALA 37 37 50811 1 . ILE 38 38 50811 1 . THR 39 39 50811 1 . GLY 40 40 50811 1 . VAL 41 41 50811 1 . GLN 42 42 50811 1 . THR 43 43 50811 1 . LEU 44 44 50811 1 . GLU 45 45 50811 1 . GLY 46 46 50811 1 . ASP 47 47 50811 1 . GLY 48 48 50811 1 . GLY 49 49 50811 1 . VAL 50 50 50811 1 . GLY 51 51 50811 1 . THR 52 52 50811 1 . ILE 53 53 50811 1 . LYS 54 54 50811 1 . LEU 55 55 50811 1 . THR 56 56 50811 1 . THR 57 57 50811 1 . PHE 58 58 50811 1 . GLY 59 59 50811 1 . GLU 60 60 50811 1 . GLY 61 61 50811 1 . SER 62 62 50811 1 . VAL 63 63 50811 1 . HIS 64 64 50811 1 . LYS 65 65 50811 1 . SER 66 66 50811 1 . VAL 67 67 50811 1 . LYS 68 68 50811 1 . HIS 69 69 50811 1 . ARG 70 70 50811 1 . ILE 71 71 50811 1 . ASP 72 72 50811 1 . GLY 73 73 50811 1 . LEU 74 74 50811 1 . ASP 75 75 50811 1 . LYS 76 76 50811 1 . GLU 77 77 50811 1 . ASN 78 78 50811 1 . PHE 79 79 50811 1 . THR 80 80 50811 1 . TYR 81 81 50811 1 . SER 82 82 50811 1 . TYR 83 83 50811 1 . SER 84 84 50811 1 . ILE 85 85 50811 1 . ILE 86 86 50811 1 . GLU 87 87 50811 1 . GLY 88 88 50811 1 . GLY 89 89 50811 1 . ALA 90 90 50811 1 . LEU 91 91 50811 1 . ASP 92 92 50811 1 . VAL 93 93 50811 1 . PHE 94 94 50811 1 . GLU 95 95 50811 1 . SER 96 96 50811 1 . ILE 97 97 50811 1 . SER 98 98 50811 1 . TYR 99 99 50811 1 . HIS 100 100 50811 1 . ILE 101 101 50811 1 . LYS 102 102 50811 1 . ILE 103 103 50811 1 . VAL 104 104 50811 1 . ALA 105 105 50811 1 . THR 106 106 50811 1 . PRO 107 107 50811 1 . ASP 108 108 50811 1 . GLY 109 109 50811 1 . GLY 110 110 50811 1 . CYS 111 111 50811 1 . ILE 112 112 50811 1 . CYS 113 113 50811 1 . LYS 114 114 50811 1 . ASN 115 115 50811 1 . ARG 116 116 50811 1 . SER 117 117 50811 1 . ILE 118 118 50811 1 . TYR 119 119 50811 1 . THR 120 120 50811 1 . PRO 121 121 50811 1 . LYS 122 122 50811 1 . CYS 123 123 50811 1 . ASP 124 124 50811 1 . ALA 125 125 50811 1 . GLN 126 126 50811 1 . VAL 127 127 50811 1 . SER 128 128 50811 1 . GLU 129 129 50811 1 . GLU 130 130 50811 1 . GLU 131 131 50811 1 . ILE 132 132 50811 1 . LYS 133 133 50811 1 . ALA 134 134 50811 1 . GLY 135 135 50811 1 . LYS 136 136 50811 1 . GLU 137 137 50811 1 . ARG 138 138 50811 1 . ALA 139 139 50811 1 . SER 140 140 50811 1 . GLY 141 141 50811 1 . ILE 142 142 50811 1 . PHE 143 143 50811 1 . LYS 144 144 50811 1 . LYS 145 145 50811 1 . VAL 146 146 50811 1 . GLU 147 147 50811 1 . ALA 148 148 50811 1 . TYR 149 149 50811 1 . LEU 150 150 50811 1 . LEU 151 151 50811 1 . ALA 152 152 50811 1 . ASN 153 153 50811 1 . PRO 154 154 50811 1 . ASP 155 155 50811 1 . CYS 156 156 50811 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50811 _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_1 . 3627 organism . 'Actinidia deliciosa' 'kiwi fruit' . . Eukaryota Viridiplantae Actinidia deliciosa . . . . . . . . . . . . . 50811 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50811 _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_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET28b(+) . . . 50811 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50811 _Sample.ID 1 _Sample.Name sample_15N _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 'Act d 8.0101' '[U-99% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 50811 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50811 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50811 _Sample.ID 2 _Sample.Name sample_13C _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 'Act d 8.0101' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 50811 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50811 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50811 _Sample_condition_list.ID 1 _Sample_condition_list.Name sample_conditions _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.9 . pH 50811 1 pressure 1 . atm 50811 1 temperature 298 . K 50811 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50811 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50811 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50811 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50811 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50811 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name NMR_500 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model DD2 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50811 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50811 1 2 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50811 1 3 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50811 1 4 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50811 1 5 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50811 1 6 '3D HN(CA)CO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50811 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50811 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50811 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50811 1 10 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50811 1 11 '3D (H)CC(CO)NH-TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50811 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50811 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name chemical_shift_reference _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50811 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50811 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50811 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50811 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chemical_shift _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 50811 1 2 '2D 1H-13C HSQC aromatic' . . . 50811 1 3 '2D (HB)CB(CGCD)HD' . . . 50811 1 4 '2D (HB)CB(CGCDCE)HE' . . . 50811 1 5 '3D HNCO' . . . 50811 1 6 '3D HN(CA)CO' . . . 50811 1 7 '3D HCCH-TOCSY' . . . 50811 1 8 '3D 1H-15N TOCSY' . . . 50811 1 9 '3D CBCA(CO)NH' . . . 50811 1 10 '3D HNCACB' . . . 50811 1 11 '3D (H)CC(CO)NH-TOCSY' . . . 50811 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50811 1 2 $software_2 . . 50811 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ALA HB1 H 1 1.163 0.05 . 1 . . . . . 2 ALA HB1 . 50811 1 2 . 1 . 1 2 2 ALA HB2 H 1 1.163 0.05 . 1 . . . . . 2 ALA HB2 . 50811 1 3 . 1 . 1 2 2 ALA HB3 H 1 1.163 0.05 . 1 . . . . . 2 ALA HB3 . 50811 1 4 . 1 . 1 2 2 ALA C C 13 177.528 0.1 . 1 . . . . . 2 ALA C . 50811 1 5 . 1 . 1 2 2 ALA CA C 13 52.216 0.015 . 1 . . . . . 2 ALA CA . 50811 1 6 . 1 . 1 2 2 ALA CB C 13 19.77 0.015 . 1 . . . . . 2 ALA CB . 50811 1 7 . 1 . 1 3 3 ILE H H 1 9.138 0.05 . 1 . . . . . 3 ILE H . 50811 1 8 . 1 . 1 3 3 ILE HA H 1 4.279 0.05 . 1 . . . . . 3 ILE HA . 50811 1 9 . 1 . 1 3 3 ILE HB H 1 1.637 0.05 . 1 . . . . . 3 ILE HB . 50811 1 10 . 1 . 1 3 3 ILE C C 13 174.607 0.1 . 1 . . . . . 3 ILE C . 50811 1 11 . 1 . 1 3 3 ILE CA C 13 60.569 0.015 . 1 . . . . . 3 ILE CA . 50811 1 12 . 1 . 1 3 3 ILE CB C 13 40.096 0.015 . 1 . . . . . 3 ILE CB . 50811 1 13 . 1 . 1 3 3 ILE CG1 C 13 27.534 0.015 . 1 . . . . . 3 ILE CG1 . 50811 1 14 . 1 . 1 3 3 ILE CG2 C 13 17.883 0.015 . 1 . . . . . 3 ILE CG2 . 50811 1 15 . 1 . 1 3 3 ILE CD1 C 13 13.627 0.015 . 1 . . . . . 3 ILE CD1 . 50811 1 16 . 1 . 1 3 3 ILE N N 15 124.5 0.05 . 1 . . . . . 3 ILE N . 50811 1 17 . 1 . 1 4 4 THR H H 1 8.305 0.05 . 1 . . . . . 4 THR H . 50811 1 18 . 1 . 1 4 4 THR HA H 1 5.234 0.05 . 1 . . . . . 4 THR HA . 50811 1 19 . 1 . 1 4 4 THR HB H 1 3.858 0.05 . 1 . . . . . 4 THR HB . 50811 1 20 . 1 . 1 4 4 THR HG21 H 1 1.037 0.05 . 1 . . . . . 4 THR HG21 . 50811 1 21 . 1 . 1 4 4 THR HG22 H 1 1.037 0.05 . 1 . . . . . 4 THR HG22 . 50811 1 22 . 1 . 1 4 4 THR HG23 H 1 1.037 0.05 . 1 . . . . . 4 THR HG23 . 50811 1 23 . 1 . 1 4 4 THR C C 13 174.068 0.1 . 1 . . . . . 4 THR C . 50811 1 24 . 1 . 1 4 4 THR CA C 13 61.228 0.015 . 1 . . . . . 4 THR CA . 50811 1 25 . 1 . 1 4 4 THR CB C 13 70.288 0.015 . 1 . . . . . 4 THR CB . 50811 1 26 . 1 . 1 4 4 THR CG2 C 13 21.18 0.015 . 1 . . . . . 4 THR CG2 . 50811 1 27 . 1 . 1 4 4 THR N N 15 120.814 0.05 . 1 . . . . . 4 THR N . 50811 1 28 . 1 . 1 5 5 TYR H H 1 9.087 0.05 . 1 . . . . . 5 TYR H . 50811 1 29 . 1 . 1 5 5 TYR HB2 H 1 3.01 0.05 . 1 . . . . . 5 TYR HB2 . 50811 1 30 . 1 . 1 5 5 TYR HB3 H 1 3.01 0.05 . 1 . . . . . 5 TYR HB3 . 50811 1 31 . 1 . 1 5 5 TYR HD1 H 1 7.055 0.001 . 3 . . . . . 5 TYR HD1 . 50811 1 32 . 1 . 1 5 5 TYR HD2 H 1 7.055 0.001 . 3 . . . . . 5 TYR HD2 . 50811 1 33 . 1 . 1 5 5 TYR HE1 H 1 6.766 0.001 . 3 . . . . . 5 TYR HE1 . 50811 1 34 . 1 . 1 5 5 TYR HE2 H 1 6.766 0.001 . 3 . . . . . 5 TYR HE2 . 50811 1 35 . 1 . 1 5 5 TYR C C 13 173.643 0.1 . 1 . . . . . 5 TYR C . 50811 1 36 . 1 . 1 5 5 TYR CA C 13 57.262 0.015 . 1 . . . . . 5 TYR CA . 50811 1 37 . 1 . 1 5 5 TYR CB C 13 41.637 0.015 . 1 . . . . . 5 TYR CB . 50811 1 38 . 1 . 1 5 5 TYR CD1 C 13 133.143 0.015 . 3 . . . . . 5 TYR CD1 . 50811 1 39 . 1 . 1 5 5 TYR CD2 C 13 133.143 0.015 . 3 . . . . . 5 TYR CD2 . 50811 1 40 . 1 . 1 5 5 TYR CE1 C 13 118.77 0.015 . 3 . . . . . 5 TYR CE1 . 50811 1 41 . 1 . 1 5 5 TYR CE2 C 13 118.77 0.015 . 3 . . . . . 5 TYR CE2 . 50811 1 42 . 1 . 1 5 5 TYR N N 15 125.068 0.05 . 1 . . . . . 5 TYR N . 50811 1 43 . 1 . 1 6 6 ASP H H 1 8.524 0.05 . 1 . . . . . 6 ASP H . 50811 1 44 . 1 . 1 6 6 ASP HA H 1 5.692 0.05 . 1 . . . . . 6 ASP HA . 50811 1 45 . 1 . 1 6 6 ASP HB2 H 1 2.576 0.05 . 2 . . . . . 6 ASP HB2 . 50811 1 46 . 1 . 1 6 6 ASP HB3 H 1 2.396 0.05 . 2 . . . . . 6 ASP HB3 . 50811 1 47 . 1 . 1 6 6 ASP C C 13 175.03 0.1 . 1 . . . . . 6 ASP C . 50811 1 48 . 1 . 1 6 6 ASP CA C 13 53.724 0.015 . 1 . . . . . 6 ASP CA . 50811 1 49 . 1 . 1 6 6 ASP CB C 13 44.084 0.015 . 1 . . . . . 6 ASP CB . 50811 1 50 . 1 . 1 6 6 ASP N N 15 126.02 0.05 . 1 . . . . . 6 ASP N . 50811 1 51 . 1 . 1 7 7 MET H H 1 8.866 0.05 . 1 . . . . . 7 MET H . 50811 1 52 . 1 . 1 7 7 MET HA H 1 4.779 0.05 . 1 . . . . . 7 MET HA . 50811 1 53 . 1 . 1 7 7 MET HB2 H 1 2.102 0.05 . 1 . . . . . 7 MET HB2 . 50811 1 54 . 1 . 1 7 7 MET HB3 H 1 2.102 0.05 . 1 . . . . . 7 MET HB3 . 50811 1 55 . 1 . 1 7 7 MET HG2 H 1 2.565 0.05 . 1 . . . . . 7 MET HG2 . 50811 1 56 . 1 . 1 7 7 MET HG3 H 1 2.565 0.05 . 1 . . . . . 7 MET HG3 . 50811 1 57 . 1 . 1 7 7 MET C C 13 174.318 0.1 . 1 . . . . . 7 MET C . 50811 1 58 . 1 . 1 7 7 MET CA C 13 54.573 0.015 . 1 . . . . . 7 MET CA . 50811 1 59 . 1 . 1 7 7 MET CB C 13 36.64 0.015 . 1 . . . . . 7 MET CB . 50811 1 60 . 1 . 1 7 7 MET CG C 13 31.535 0.015 . 1 . . . . . 7 MET CG . 50811 1 61 . 1 . 1 7 7 MET N N 15 118.723 0.05 . 1 . . . . . 7 MET N . 50811 1 62 . 1 . 1 8 8 GLU H H 1 8.73 0.05 . 1 . . . . . 8 GLU H . 50811 1 63 . 1 . 1 8 8 GLU HA H 1 5.282 0.05 . 1 . . . . . 8 GLU HA . 50811 1 64 . 1 . 1 8 8 GLU HB2 H 1 2.047 0.05 . 1 . . . . . 8 GLU HB2 . 50811 1 65 . 1 . 1 8 8 GLU HB3 H 1 2.047 0.05 . 1 . . . . . 8 GLU HB3 . 50811 1 66 . 1 . 1 8 8 GLU HG2 H 1 2.216 0.05 . 1 . . . . . 8 GLU HG2 . 50811 1 67 . 1 . 1 8 8 GLU HG3 H 1 2.216 0.05 . 1 . . . . . 8 GLU HG3 . 50811 1 68 . 1 . 1 8 8 GLU C C 13 175.498 0.1 . 1 . . . . . 8 GLU C . 50811 1 69 . 1 . 1 8 8 GLU CA C 13 55.024 0.015 . 1 . . . . . 8 GLU CA . 50811 1 70 . 1 . 1 8 8 GLU CB C 13 32.584 0.015 . 1 . . . . . 8 GLU CB . 50811 1 71 . 1 . 1 8 8 GLU CG C 13 36.45 0.015 . 1 . . . . . 8 GLU CG . 50811 1 72 . 1 . 1 8 8 GLU N N 15 122.577 0.05 . 1 . . . . . 8 GLU N . 50811 1 73 . 1 . 1 9 9 ILE H H 1 8.675 0.05 . 1 . . . . . 9 ILE H . 50811 1 74 . 1 . 1 9 9 ILE HB H 1 1.549 0.05 . 1 . . . . . 9 ILE HB . 50811 1 75 . 1 . 1 9 9 ILE C C 13 173.415 0.1 . 1 . . . . . 9 ILE C . 50811 1 76 . 1 . 1 9 9 ILE CA C 13 57.556 0.015 . 1 . . . . . 9 ILE CA . 50811 1 77 . 1 . 1 9 9 ILE CB C 13 41.464 0.015 . 1 . . . . . 9 ILE CB . 50811 1 78 . 1 . 1 9 9 ILE N N 15 123.08 0.05 . 1 . . . . . 9 ILE N . 50811 1 79 . 1 . 1 10 10 PRO HA H 1 5.126 0.05 . 1 . . . . . 10 PRO HA . 50811 1 80 . 1 . 1 10 10 PRO HB2 H 1 2.263 0.05 . 1 . . . . . 10 PRO HB2 . 50811 1 81 . 1 . 1 10 10 PRO HB3 H 1 2.263 0.05 . 1 . . . . . 10 PRO HB3 . 50811 1 82 . 1 . 1 10 10 PRO HG2 H 1 2.052 0.05 . 1 . . . . . 10 PRO HG2 . 50811 1 83 . 1 . 1 10 10 PRO HG3 H 1 2.052 0.05 . 1 . . . . . 10 PRO HG3 . 50811 1 84 . 1 . 1 10 10 PRO HD2 H 1 3.88 0.05 . 1 . . . . . 10 PRO HD2 . 50811 1 85 . 1 . 1 10 10 PRO HD3 H 1 3.88 0.05 . 1 . . . . . 10 PRO HD3 . 50811 1 86 . 1 . 1 10 10 PRO C C 13 175.928 0.1 . 1 . . . . . 10 PRO C . 50811 1 87 . 1 . 1 10 10 PRO CA C 13 62.436 0.015 . 1 . . . . . 10 PRO CA . 50811 1 88 . 1 . 1 10 10 PRO CB C 13 33.17 0.015 . 1 . . . . . 10 PRO CB . 50811 1 89 . 1 . 1 10 10 PRO CG C 13 26.878 0.015 . 1 . . . . . 10 PRO CG . 50811 1 90 . 1 . 1 10 10 PRO CD C 13 51.089 0.015 . 1 . . . . . 10 PRO CD . 50811 1 91 . 1 . 1 11 11 SER H H 1 8.933 0.05 . 1 . . . . . 11 SER H . 50811 1 92 . 1 . 1 11 11 SER HA H 1 4.93 0.05 . 1 . . . . . 11 SER HA . 50811 1 93 . 1 . 1 11 11 SER HB2 H 1 3.868 0.05 . 1 . . . . . 11 SER HB2 . 50811 1 94 . 1 . 1 11 11 SER HB3 H 1 3.868 0.05 . 1 . . . . . 11 SER HB3 . 50811 1 95 . 1 . 1 11 11 SER C C 13 173.959 0.1 . 1 . . . . . 11 SER C . 50811 1 96 . 1 . 1 11 11 SER CA C 13 56.643 0.015 . 1 . . . . . 11 SER CA . 50811 1 97 . 1 . 1 11 11 SER CB C 13 65.57 0.015 . 1 . . . . . 11 SER CB . 50811 1 98 . 1 . 1 11 11 SER N N 15 113.563 0.05 . 1 . . . . . 11 SER N . 50811 1 99 . 1 . 1 12 12 SER H H 1 8.351 0.05 . 1 . . . . . 12 SER H . 50811 1 100 . 1 . 1 12 12 SER HA H 1 4.474 0.05 . 1 . . . . . 12 SER HA . 50811 1 101 . 1 . 1 12 12 SER HB2 H 1 3.912 0.05 . 1 . . . . . 12 SER HB2 . 50811 1 102 . 1 . 1 12 12 SER HB3 H 1 3.912 0.05 . 1 . . . . . 12 SER HB3 . 50811 1 103 . 1 . 1 12 12 SER C C 13 174.408 0.1 . 1 . . . . . 12 SER C . 50811 1 104 . 1 . 1 12 12 SER CA C 13 59.266 0.015 . 1 . . . . . 12 SER CA . 50811 1 105 . 1 . 1 12 12 SER CB C 13 63.945 0.015 . 1 . . . . . 12 SER CB . 50811 1 106 . 1 . 1 12 12 SER N N 15 121.034 0.05 . 1 . . . . . 12 SER N . 50811 1 107 . 1 . 1 13 13 ILE H H 1 8.185 0.05 . 1 . . . . . 13 ILE H . 50811 1 108 . 1 . 1 13 13 ILE HA H 1 3.985 0.05 . 1 . . . . . 13 ILE HA . 50811 1 109 . 1 . 1 13 13 ILE HB H 1 1.739 0.05 . 1 . . . . . 13 ILE HB . 50811 1 110 . 1 . 1 13 13 ILE HG12 H 1 1.367 0.05 . 1 . . . . . 13 ILE HG12 . 50811 1 111 . 1 . 1 13 13 ILE HG13 H 1 1.367 0.05 . 1 . . . . . 13 ILE HG13 . 50811 1 112 . 1 . 1 13 13 ILE HG21 H 1 1.067 0.05 . 1 . . . . . 13 ILE HG21 . 50811 1 113 . 1 . 1 13 13 ILE HG22 H 1 1.067 0.05 . 1 . . . . . 13 ILE HG22 . 50811 1 114 . 1 . 1 13 13 ILE HG23 H 1 1.067 0.05 . 1 . . . . . 13 ILE HG23 . 50811 1 115 . 1 . 1 13 13 ILE HD11 H 1 0.751 0.05 . 1 . . . . . 13 ILE HD11 . 50811 1 116 . 1 . 1 13 13 ILE HD12 H 1 0.751 0.05 . 1 . . . . . 13 ILE HD12 . 50811 1 117 . 1 . 1 13 13 ILE HD13 H 1 0.751 0.05 . 1 . . . . . 13 ILE HD13 . 50811 1 118 . 1 . 1 13 13 ILE C C 13 174.007 0.1 . 1 . . . . . 13 ILE C . 50811 1 119 . 1 . 1 13 13 ILE CA C 13 59.573 0.015 . 1 . . . . . 13 ILE CA . 50811 1 120 . 1 . 1 13 13 ILE CB C 13 37 0.015 . 1 . . . . . 13 ILE CB . 50811 1 121 . 1 . 1 13 13 ILE CG1 C 13 27.936 0.015 . 1 . . . . . 13 ILE CG1 . 50811 1 122 . 1 . 1 13 13 ILE CG2 C 13 17.881 0.015 . 1 . . . . . 13 ILE CG2 . 50811 1 123 . 1 . 1 13 13 ILE CD1 C 13 11.651 0.015 . 1 . . . . . 13 ILE CD1 . 50811 1 124 . 1 . 1 13 13 ILE N N 15 126.078 0.05 . 1 . . . . . 13 ILE N . 50811 1 125 . 1 . 1 14 14 SER H H 1 7.894 0.05 . 1 . . . . . 14 SER H . 50811 1 126 . 1 . 1 14 14 SER HA H 1 4.413 0.05 . 1 . . . . . 14 SER HA . 50811 1 127 . 1 . 1 14 14 SER HB2 H 1 4.087 0.05 . 1 . . . . . 14 SER HB2 . 50811 1 128 . 1 . 1 14 14 SER HB3 H 1 4.087 0.05 . 1 . . . . . 14 SER HB3 . 50811 1 129 . 1 . 1 14 14 SER C C 13 174.838 0.1 . 1 . . . . . 14 SER C . 50811 1 130 . 1 . 1 14 14 SER CA C 13 58.341 0.015 . 1 . . . . . 14 SER CA . 50811 1 131 . 1 . 1 14 14 SER CB C 13 64.545 0.015 . 1 . . . . . 14 SER CB . 50811 1 132 . 1 . 1 14 14 SER N N 15 119.48 0.05 . 1 . . . . . 14 SER N . 50811 1 133 . 1 . 1 15 15 ALA H H 1 8.951 0.05 . 1 . . . . . 15 ALA H . 50811 1 134 . 1 . 1 15 15 ALA HA H 1 3.826 0.05 . 1 . . . . . 15 ALA HA . 50811 1 135 . 1 . 1 15 15 ALA HB1 H 1 1.252 0.05 . 1 . . . . . 15 ALA HB1 . 50811 1 136 . 1 . 1 15 15 ALA HB2 H 1 1.252 0.05 . 1 . . . . . 15 ALA HB2 . 50811 1 137 . 1 . 1 15 15 ALA HB3 H 1 1.252 0.05 . 1 . . . . . 15 ALA HB3 . 50811 1 138 . 1 . 1 15 15 ALA C C 13 178.551 0.1 . 1 . . . . . 15 ALA C . 50811 1 139 . 1 . 1 15 15 ALA CA C 13 55.01 0.015 . 1 . . . . . 15 ALA CA . 50811 1 140 . 1 . 1 15 15 ALA CB C 13 18.523 0.015 . 1 . . . . . 15 ALA CB . 50811 1 141 . 1 . 1 15 15 ALA N N 15 124.042 0.05 . 1 . . . . . 15 ALA N . 50811 1 142 . 1 . 1 16 16 GLU H H 1 8.624 0.05 . 1 . . . . . 16 GLU H . 50811 1 143 . 1 . 1 16 16 GLU HA H 1 3.449 0.05 . 1 . . . . . 16 GLU HA . 50811 1 144 . 1 . 1 16 16 GLU C C 13 179.016 0.1 . 1 . . . . . 16 GLU C . 50811 1 145 . 1 . 1 16 16 GLU CA C 13 59.371 0.015 . 1 . . . . . 16 GLU CA . 50811 1 146 . 1 . 1 16 16 GLU CB C 13 29.535 0.015 . 1 . . . . . 16 GLU CB . 50811 1 147 . 1 . 1 16 16 GLU CG C 13 35.999 0.015 . 1 . . . . . 16 GLU CG . 50811 1 148 . 1 . 1 16 16 GLU N N 15 115.361 0.05 . 1 . . . . . 16 GLU N . 50811 1 149 . 1 . 1 17 17 LYS H H 1 7.402 0.05 . 1 . . . . . 17 LYS H . 50811 1 150 . 1 . 1 17 17 LYS HA H 1 4.015 0.05 . 1 . . . . . 17 LYS HA . 50811 1 151 . 1 . 1 17 17 LYS HB2 H 1 1.822 0.05 . 1 . . . . . 17 LYS HB2 . 50811 1 152 . 1 . 1 17 17 LYS HB3 H 1 1.822 0.05 . 1 . . . . . 17 LYS HB3 . 50811 1 153 . 1 . 1 17 17 LYS HG2 H 1 1.331 0.05 . 1 . . . . . 17 LYS HG2 . 50811 1 154 . 1 . 1 17 17 LYS HG3 H 1 1.331 0.05 . 1 . . . . . 17 LYS HG3 . 50811 1 155 . 1 . 1 17 17 LYS HD2 H 1 1.72 0.05 . 1 . . . . . 17 LYS HD2 . 50811 1 156 . 1 . 1 17 17 LYS HD3 H 1 1.72 0.05 . 1 . . . . . 17 LYS HD3 . 50811 1 157 . 1 . 1 17 17 LYS HE2 H 1 2.988 0.05 . 1 . . . . . 17 LYS HE2 . 50811 1 158 . 1 . 1 17 17 LYS HE3 H 1 2.988 0.05 . 1 . . . . . 17 LYS HE3 . 50811 1 159 . 1 . 1 17 17 LYS C C 13 179.204 0.1 . 1 . . . . . 17 LYS C . 50811 1 160 . 1 . 1 17 17 LYS CA C 13 59.147 0.015 . 1 . . . . . 17 LYS CA . 50811 1 161 . 1 . 1 17 17 LYS CB C 13 32.357 0.015 . 1 . . . . . 17 LYS CB . 50811 1 162 . 1 . 1 17 17 LYS CG C 13 25.986 0.015 . 1 . . . . . 17 LYS CG . 50811 1 163 . 1 . 1 17 17 LYS CD C 13 29.164 0.015 . 1 . . . . . 17 LYS CD . 50811 1 164 . 1 . 1 17 17 LYS CE C 13 42.143 0.015 . 1 . . . . . 17 LYS CE . 50811 1 165 . 1 . 1 17 17 LYS N N 15 119.803 0.05 . 1 . . . . . 17 LYS N . 50811 1 166 . 1 . 1 18 18 MET H H 1 8.734 0.05 . 1 . . . . . 18 MET H . 50811 1 167 . 1 . 1 18 18 MET HA H 1 4.431 0.05 . 1 . . . . . 18 MET HA . 50811 1 168 . 1 . 1 18 18 MET HG2 H 1 2.458 0.05 . 2 . . . . . 18 MET HG2 . 50811 1 169 . 1 . 1 18 18 MET HG3 H 1 2.285 0.05 . 2 . . . . . 18 MET HG3 . 50811 1 170 . 1 . 1 18 18 MET C C 13 178.24 0.1 . 1 . . . . . 18 MET C . 50811 1 171 . 1 . 1 18 18 MET CA C 13 56.634 0.015 . 1 . . . . . 18 MET CA . 50811 1 172 . 1 . 1 18 18 MET CB C 13 31.483 0.015 . 1 . . . . . 18 MET CB . 50811 1 173 . 1 . 1 18 18 MET CG C 13 32.704 0.015 . 1 . . . . . 18 MET CG . 50811 1 174 . 1 . 1 18 18 MET N N 15 119.475 0.05 . 1 . . . . . 18 MET N . 50811 1 175 . 1 . 1 19 19 PHE H H 1 8.97 0.05 . 1 . . . . . 19 PHE H . 50811 1 176 . 1 . 1 19 19 PHE HA H 1 3.94 0.05 . 1 . . . . . 19 PHE HA . 50811 1 177 . 1 . 1 19 19 PHE HB2 H 1 2.695 0.05 . 1 . . . . . 19 PHE HB2 . 50811 1 178 . 1 . 1 19 19 PHE HB3 H 1 2.695 0.05 . 1 . . . . . 19 PHE HB3 . 50811 1 179 . 1 . 1 19 19 PHE HD1 H 1 6.506 0.001 . 3 . . . . . 19 PHE HD1 . 50811 1 180 . 1 . 1 19 19 PHE HD2 H 1 6.506 0.001 . 3 . . . . . 19 PHE HD2 . 50811 1 181 . 1 . 1 19 19 PHE HE1 H 1 7.308 0.05 . 3 . . . . . 19 PHE HE1 . 50811 1 182 . 1 . 1 19 19 PHE HE2 H 1 7.308 0.05 . 3 . . . . . 19 PHE HE2 . 50811 1 183 . 1 . 1 19 19 PHE C C 13 177.559 0.1 . 1 . . . . . 19 PHE C . 50811 1 184 . 1 . 1 19 19 PHE CA C 13 62.785 0.015 . 1 . . . . . 19 PHE CA . 50811 1 185 . 1 . 1 19 19 PHE CB C 13 39.271 0.015 . 1 . . . . . 19 PHE CB . 50811 1 186 . 1 . 1 19 19 PHE CD1 C 13 131.839 0.015 . 3 . . . . . 19 PHE CD1 . 50811 1 187 . 1 . 1 19 19 PHE CD2 C 13 131.839 0.015 . 3 . . . . . 19 PHE CD2 . 50811 1 188 . 1 . 1 19 19 PHE N N 15 119.863 0.05 . 1 . . . . . 19 PHE N . 50811 1 189 . 1 . 1 20 20 LYS H H 1 7.928 0.05 . 1 . . . . . 20 LYS H . 50811 1 190 . 1 . 1 20 20 LYS HA H 1 3.704 0.05 . 1 . . . . . 20 LYS HA . 50811 1 191 . 1 . 1 20 20 LYS HB2 H 1 2.05 0.05 . 1 . . . . . 20 LYS HB2 . 50811 1 192 . 1 . 1 20 20 LYS HB3 H 1 2.05 0.05 . 1 . . . . . 20 LYS HB3 . 50811 1 193 . 1 . 1 20 20 LYS HG2 H 1 1.409 0.05 . 1 . . . . . 20 LYS HG2 . 50811 1 194 . 1 . 1 20 20 LYS HG3 H 1 1.409 0.05 . 1 . . . . . 20 LYS HG3 . 50811 1 195 . 1 . 1 20 20 LYS HD2 H 1 1.731 0.05 . 1 . . . . . 20 LYS HD2 . 50811 1 196 . 1 . 1 20 20 LYS HD3 H 1 1.731 0.05 . 1 . . . . . 20 LYS HD3 . 50811 1 197 . 1 . 1 20 20 LYS HE2 H 1 3.024 0.05 . 1 . . . . . 20 LYS HE2 . 50811 1 198 . 1 . 1 20 20 LYS HE3 H 1 3.024 0.05 . 1 . . . . . 20 LYS HE3 . 50811 1 199 . 1 . 1 20 20 LYS C C 13 176.224 0.1 . 1 . . . . . 20 LYS C . 50811 1 200 . 1 . 1 20 20 LYS CA C 13 59.852 0.015 . 1 . . . . . 20 LYS CA . 50811 1 201 . 1 . 1 20 20 LYS CB C 13 32.533 0.015 . 1 . . . . . 20 LYS CB . 50811 1 202 . 1 . 1 20 20 LYS CG C 13 25.38 0.015 . 1 . . . . . 20 LYS CG . 50811 1 203 . 1 . 1 20 20 LYS CD C 13 29.564 0.015 . 1 . . . . . 20 LYS CD . 50811 1 204 . 1 . 1 20 20 LYS CE C 13 42.259 0.015 . 1 . . . . . 20 LYS CE . 50811 1 205 . 1 . 1 20 20 LYS N N 15 119.48 0.05 . 1 . . . . . 20 LYS N . 50811 1 206 . 1 . 1 21 21 ALA H H 1 7.959 0.05 . 1 . . . . . 21 ALA H . 50811 1 207 . 1 . 1 21 21 ALA HA H 1 4.041 0.05 . 1 . . . . . 21 ALA HA . 50811 1 208 . 1 . 1 21 21 ALA HB1 H 1 1.392 0.05 . 1 . . . . . 21 ALA HB1 . 50811 1 209 . 1 . 1 21 21 ALA HB2 H 1 1.392 0.05 . 1 . . . . . 21 ALA HB2 . 50811 1 210 . 1 . 1 21 21 ALA HB3 H 1 1.392 0.05 . 1 . . . . . 21 ALA HB3 . 50811 1 211 . 1 . 1 21 21 ALA C C 13 175.66 0.1 . 1 . . . . . 21 ALA C . 50811 1 212 . 1 . 1 21 21 ALA CA C 13 55.082 0.015 . 1 . . . . . 21 ALA CA . 50811 1 213 . 1 . 1 21 21 ALA CB C 13 21.387 0.015 . 1 . . . . . 21 ALA CB . 50811 1 214 . 1 . 1 21 21 ALA N N 15 118.387 0.05 . 1 . . . . . 21 ALA N . 50811 1 215 . 1 . 1 22 22 PHE H H 1 8.272 0.05 . 1 . . . . . 22 PHE H . 50811 1 216 . 1 . 1 22 22 PHE HA H 1 4.168 0.05 . 1 . . . . . 22 PHE HA . 50811 1 217 . 1 . 1 22 22 PHE HB2 H 1 3.017 0.05 . 1 . . . . . 22 PHE HB2 . 50811 1 218 . 1 . 1 22 22 PHE HB3 H 1 3.017 0.05 . 1 . . . . . 22 PHE HB3 . 50811 1 219 . 1 . 1 22 22 PHE HD1 H 1 6.996 0.05 . 3 . . . . . 22 PHE HD1 . 50811 1 220 . 1 . 1 22 22 PHE HD2 H 1 6.996 0.05 . 3 . . . . . 22 PHE HD2 . 50811 1 221 . 1 . 1 22 22 PHE HE1 H 1 7.176 0.003 . 3 . . . . . 22 PHE HE1 . 50811 1 222 . 1 . 1 22 22 PHE HE2 H 1 7.176 0.003 . 3 . . . . . 22 PHE HE2 . 50811 1 223 . 1 . 1 22 22 PHE C C 13 174.812 0.1 . 1 . . . . . 22 PHE C . 50811 1 224 . 1 . 1 22 22 PHE CA C 13 58.79 0.015 . 1 . . . . . 22 PHE CA . 50811 1 225 . 1 . 1 22 22 PHE CB C 13 41.249 0.015 . 1 . . . . . 22 PHE CB . 50811 1 226 . 1 . 1 22 22 PHE CD1 C 13 131.278 0.015 . 3 . . . . . 22 PHE CD1 . 50811 1 227 . 1 . 1 22 22 PHE CD2 C 13 131.278 0.015 . 3 . . . . . 22 PHE CD2 . 50811 1 228 . 1 . 1 22 22 PHE CE1 C 13 130.881 0.015 . 3 . . . . . 22 PHE CE1 . 50811 1 229 . 1 . 1 22 22 PHE CE2 C 13 130.881 0.015 . 3 . . . . . 22 PHE CE2 . 50811 1 230 . 1 . 1 22 22 PHE N N 15 109.717 0.05 . 1 . . . . . 22 PHE N . 50811 1 231 . 1 . 1 23 23 VAL H H 1 7.371 0.05 . 1 . . . . . 23 VAL H . 50811 1 232 . 1 . 1 23 23 VAL HA H 1 3.248 0.05 . 1 . . . . . 23 VAL HA . 50811 1 233 . 1 . 1 23 23 VAL HB H 1 0.849 0.05 . 1 . . . . . 23 VAL HB . 50811 1 234 . 1 . 1 23 23 VAL HG11 H 1 -0.288 0.05 . 2 . . . . . 23 VAL HG11 . 50811 1 235 . 1 . 1 23 23 VAL HG12 H 1 -0.288 0.05 . 2 . . . . . 23 VAL HG12 . 50811 1 236 . 1 . 1 23 23 VAL HG13 H 1 -0.288 0.05 . 2 . . . . . 23 VAL HG13 . 50811 1 237 . 1 . 1 23 23 VAL HG21 H 1 0.334 0.05 . 2 . . . . . 23 VAL HG21 . 50811 1 238 . 1 . 1 23 23 VAL HG22 H 1 0.334 0.05 . 2 . . . . . 23 VAL HG22 . 50811 1 239 . 1 . 1 23 23 VAL HG23 H 1 0.334 0.05 . 2 . . . . . 23 VAL HG23 . 50811 1 240 . 1 . 1 23 23 VAL C C 13 177.949 0.1 . 1 . . . . . 23 VAL C . 50811 1 241 . 1 . 1 23 23 VAL CA C 13 63.564 0.015 . 1 . . . . . 23 VAL CA . 50811 1 242 . 1 . 1 23 23 VAL CB C 13 31.161 0.015 . 1 . . . . . 23 VAL CB . 50811 1 243 . 1 . 1 23 23 VAL CG1 C 13 20.142 0.015 . 2 . . . . . 23 VAL CG1 . 50811 1 244 . 1 . 1 23 23 VAL CG2 C 13 20.883 0.015 . 2 . . . . . 23 VAL CG2 . 50811 1 245 . 1 . 1 23 23 VAL N N 15 112.23 0.05 . 1 . . . . . 23 VAL N . 50811 1 246 . 1 . 1 24 24 LEU H H 1 7.038 0.05 . 1 . . . . . 24 LEU H . 50811 1 247 . 1 . 1 24 24 LEU HA H 1 3.848 0.05 . 1 . . . . . 24 LEU HA . 50811 1 248 . 1 . 1 24 24 LEU HB2 H 1 2.117 0.05 . 1 . . . . . 24 LEU HB2 . 50811 1 249 . 1 . 1 24 24 LEU HB3 H 1 2.117 0.05 . 1 . . . . . 24 LEU HB3 . 50811 1 250 . 1 . 1 24 24 LEU HG H 1 1.493 0.05 . 1 . . . . . 24 LEU HG . 50811 1 251 . 1 . 1 24 24 LEU HD11 H 1 0.851 0.05 . 1 . . . . . 24 LEU HD11 . 50811 1 252 . 1 . 1 24 24 LEU HD12 H 1 0.851 0.05 . 1 . . . . . 24 LEU HD12 . 50811 1 253 . 1 . 1 24 24 LEU HD13 H 1 0.851 0.05 . 1 . . . . . 24 LEU HD13 . 50811 1 254 . 1 . 1 24 24 LEU HD21 H 1 0.851 0.05 . 1 . . . . . 24 LEU HD21 . 50811 1 255 . 1 . 1 24 24 LEU HD22 H 1 0.851 0.05 . 1 . . . . . 24 LEU HD22 . 50811 1 256 . 1 . 1 24 24 LEU HD23 H 1 0.851 0.05 . 1 . . . . . 24 LEU HD23 . 50811 1 257 . 1 . 1 24 24 LEU C C 13 178.945 0.1 . 1 . . . . . 24 LEU C . 50811 1 258 . 1 . 1 24 24 LEU CA C 13 58.469 0.015 . 1 . . . . . 24 LEU CA . 50811 1 259 . 1 . 1 24 24 LEU CB C 13 39.749 0.015 . 1 . . . . . 24 LEU CB . 50811 1 260 . 1 . 1 24 24 LEU CG C 13 25.616 0.015 . 1 . . . . . 24 LEU CG . 50811 1 261 . 1 . 1 24 24 LEU CD1 C 13 22.679 0.015 . 1 . . . . . 24 LEU CD1 . 50811 1 262 . 1 . 1 24 24 LEU CD2 C 13 22.679 0.015 . 1 . . . . . 24 LEU CD2 . 50811 1 263 . 1 . 1 24 24 LEU N N 15 118.619 0.05 . 1 . . . . . 24 LEU N . 50811 1 264 . 1 . 1 25 25 ASP H H 1 9.069 0.05 . 1 . . . . . 25 ASP H . 50811 1 265 . 1 . 1 25 25 ASP HA H 1 4.951 0.05 . 1 . . . . . 25 ASP HA . 50811 1 266 . 1 . 1 25 25 ASP HB2 H 1 3.012 0.05 . 2 . . . . . 25 ASP HB2 . 50811 1 267 . 1 . 1 25 25 ASP HB3 H 1 2.633 0.05 . 2 . . . . . 25 ASP HB3 . 50811 1 268 . 1 . 1 25 25 ASP C C 13 177.418 0.1 . 1 . . . . . 25 ASP C . 50811 1 269 . 1 . 1 25 25 ASP CA C 13 53.25 0.015 . 1 . . . . . 25 ASP CA . 50811 1 270 . 1 . 1 25 25 ASP CB C 13 40.398 0.015 . 1 . . . . . 25 ASP CB . 50811 1 271 . 1 . 1 25 25 ASP N N 15 118.142 0.05 . 1 . . . . . 25 ASP N . 50811 1 272 . 1 . 1 26 26 GLY H H 1 6.678 0.05 . 1 . . . . . 26 GLY H . 50811 1 273 . 1 . 1 26 26 GLY HA2 H 1 3.588 0.05 . 2 . . . . . 26 GLY HA2 . 50811 1 274 . 1 . 1 26 26 GLY HA3 H 1 3.689 0.05 . 2 . . . . . 26 GLY HA3 . 50811 1 275 . 1 . 1 26 26 GLY C C 13 174.639 0.1 . 1 . . . . . 26 GLY C . 50811 1 276 . 1 . 1 26 26 GLY CA C 13 47.966 0.015 . 1 . . . . . 26 GLY CA . 50811 1 277 . 1 . 1 26 26 GLY N N 15 108.27 0.05 . 1 . . . . . 26 GLY N . 50811 1 278 . 1 . 1 27 27 ASP H H 1 8.249 0.05 . 1 . . . . . 27 ASP H . 50811 1 279 . 1 . 1 27 27 ASP HA H 1 3.993 0.05 . 1 . . . . . 27 ASP HA . 50811 1 280 . 1 . 1 27 27 ASP HB2 H 1 2.501 0.05 . 1 . . . . . 27 ASP HB2 . 50811 1 281 . 1 . 1 27 27 ASP HB3 H 1 2.501 0.05 . 1 . . . . . 27 ASP HB3 . 50811 1 282 . 1 . 1 27 27 ASP C C 13 176.559 0.1 . 1 . . . . . 27 ASP C . 50811 1 283 . 1 . 1 27 27 ASP CA C 13 56.755 0.015 . 1 . . . . . 27 ASP CA . 50811 1 284 . 1 . 1 27 27 ASP CB C 13 39.447 0.015 . 1 . . . . . 27 ASP CB . 50811 1 285 . 1 . 1 27 27 ASP N N 15 118.272 0.05 . 1 . . . . . 27 ASP N . 50811 1 286 . 1 . 1 28 28 THR H H 1 7.406 0.05 . 1 . . . . . 28 THR H . 50811 1 287 . 1 . 1 28 28 THR HA H 1 4.208 0.05 . 1 . . . . . 28 THR HA . 50811 1 288 . 1 . 1 28 28 THR HB H 1 4.033 0.05 . 1 . . . . . 28 THR HB . 50811 1 289 . 1 . 1 28 28 THR HG21 H 1 1.153 0.05 . 1 . . . . . 28 THR HG21 . 50811 1 290 . 1 . 1 28 28 THR HG22 H 1 1.153 0.05 . 1 . . . . . 28 THR HG22 . 50811 1 291 . 1 . 1 28 28 THR HG23 H 1 1.153 0.05 . 1 . . . . . 28 THR HG23 . 50811 1 292 . 1 . 1 28 28 THR C C 13 176.616 0.1 . 1 . . . . . 28 THR C . 50811 1 293 . 1 . 1 28 28 THR CA C 13 63.116 0.015 . 1 . . . . . 28 THR CA . 50811 1 294 . 1 . 1 28 28 THR CB C 13 69.266 0.015 . 1 . . . . . 28 THR CB . 50811 1 295 . 1 . 1 28 28 THR CG2 C 13 21.808 0.015 . 1 . . . . . 28 THR CG2 . 50811 1 296 . 1 . 1 28 28 THR N N 15 108.574 0.05 . 1 . . . . . 28 THR N . 50811 1 297 . 1 . 1 29 29 ILE H H 1 8.214 0.05 . 1 . . . . . 29 ILE H . 50811 1 298 . 1 . 1 29 29 ILE HA H 1 3.513 0.05 . 1 . . . . . 29 ILE HA . 50811 1 299 . 1 . 1 29 29 ILE HB H 1 2.026 0.05 . 1 . . . . . 29 ILE HB . 50811 1 300 . 1 . 1 29 29 ILE HG12 H 1 1.453 0.05 . 1 . . . . . 29 ILE HG12 . 50811 1 301 . 1 . 1 29 29 ILE HG13 H 1 1.453 0.05 . 1 . . . . . 29 ILE HG13 . 50811 1 302 . 1 . 1 29 29 ILE HG21 H 1 0.59 0.05 . 1 . . . . . 29 ILE HG21 . 50811 1 303 . 1 . 1 29 29 ILE HG22 H 1 0.59 0.05 . 1 . . . . . 29 ILE HG22 . 50811 1 304 . 1 . 1 29 29 ILE HG23 H 1 0.59 0.05 . 1 . . . . . 29 ILE HG23 . 50811 1 305 . 1 . 1 29 29 ILE HD11 H 1 0.59 0.05 . 1 . . . . . 29 ILE HD11 . 50811 1 306 . 1 . 1 29 29 ILE HD12 H 1 0.59 0.05 . 1 . . . . . 29 ILE HD12 . 50811 1 307 . 1 . 1 29 29 ILE HD13 H 1 0.59 0.05 . 1 . . . . . 29 ILE HD13 . 50811 1 308 . 1 . 1 29 29 ILE C C 13 177.009 0.1 . 1 . . . . . 29 ILE C . 50811 1 309 . 1 . 1 29 29 ILE CA C 13 62.415 0.015 . 1 . . . . . 29 ILE CA . 50811 1 310 . 1 . 1 29 29 ILE CB C 13 36.514 0.015 . 1 . . . . . 29 ILE CB . 50811 1 311 . 1 . 1 29 29 ILE CG1 C 13 28.089 0.015 . 1 . . . . . 29 ILE CG1 . 50811 1 312 . 1 . 1 29 29 ILE CG2 C 13 17.735 0.015 . 1 . . . . . 29 ILE CG2 . 50811 1 313 . 1 . 1 29 29 ILE CD1 C 13 10.314 0.015 . 1 . . . . . 29 ILE CD1 . 50811 1 314 . 1 . 1 29 29 ILE N N 15 122.425 0.05 . 1 . . . . . 29 ILE N . 50811 1 315 . 1 . 1 30 30 ILE H H 1 8.795 0.05 . 1 . . . . . 30 ILE H . 50811 1 316 . 1 . 1 30 30 ILE HA H 1 3.489 0.05 . 1 . . . . . 30 ILE HA . 50811 1 317 . 1 . 1 30 30 ILE C C 13 175.36 0.1 . 1 . . . . . 30 ILE C . 50811 1 318 . 1 . 1 30 30 ILE CA C 13 68.645 0.015 . 1 . . . . . 30 ILE CA . 50811 1 319 . 1 . 1 30 30 ILE CB C 13 35.1 0.015 . 1 . . . . . 30 ILE CB . 50811 1 320 . 1 . 1 30 30 ILE N N 15 119.478 0.05 . 1 . . . . . 30 ILE N . 50811 1 321 . 1 . 1 31 31 PRO HA H 1 4.112 0.05 . 1 . . . . . 31 PRO HA . 50811 1 322 . 1 . 1 31 31 PRO HB2 H 1 1.607 0.05 . 2 . . . . . 31 PRO HB2 . 50811 1 323 . 1 . 1 31 31 PRO HB3 H 1 2.037 0.05 . 2 . . . . . 31 PRO HB3 . 50811 1 324 . 1 . 1 31 31 PRO HG2 H 1 1.383 0.05 . 2 . . . . . 31 PRO HG2 . 50811 1 325 . 1 . 1 31 31 PRO HG3 H 1 2.138 0.05 . 2 . . . . . 31 PRO HG3 . 50811 1 326 . 1 . 1 31 31 PRO HD2 H 1 3.349 0.05 . 2 . . . . . 31 PRO HD2 . 50811 1 327 . 1 . 1 31 31 PRO HD3 H 1 3.131 0.05 . 2 . . . . . 31 PRO HD3 . 50811 1 328 . 1 . 1 31 31 PRO C C 13 178.3 0.1 . 1 . . . . . 31 PRO C . 50811 1 329 . 1 . 1 31 31 PRO CA C 13 65.256 0.015 . 1 . . . . . 31 PRO CA . 50811 1 330 . 1 . 1 31 31 PRO CB C 13 30.9 0.015 . 1 . . . . . 31 PRO CB . 50811 1 331 . 1 . 1 31 31 PRO CG C 13 28.471 0.015 . 1 . . . . . 31 PRO CG . 50811 1 332 . 1 . 1 31 31 PRO CD C 13 49.866 0.015 . 1 . . . . . 31 PRO CD . 50811 1 333 . 1 . 1 32 32 LYS H H 1 6.508 0.05 . 1 . . . . . 32 LYS H . 50811 1 334 . 1 . 1 32 32 LYS HA H 1 3.908 0.05 . 1 . . . . . 32 LYS HA . 50811 1 335 . 1 . 1 32 32 LYS HB2 H 1 1.419 0.05 . 1 . . . . . 32 LYS HB2 . 50811 1 336 . 1 . 1 32 32 LYS HB3 H 1 1.419 0.05 . 1 . . . . . 32 LYS HB3 . 50811 1 337 . 1 . 1 32 32 LYS HG2 H 1 1.517 0.05 . 2 . . . . . 32 LYS HG2 . 50811 1 338 . 1 . 1 32 32 LYS HG3 H 1 1.281 0.05 . 2 . . . . . 32 LYS HG3 . 50811 1 339 . 1 . 1 32 32 LYS HD2 H 1 1.478 0.05 . 2 . . . . . 32 LYS HD2 . 50811 1 340 . 1 . 1 32 32 LYS HD3 H 1 1.661 0.05 . 2 . . . . . 32 LYS HD3 . 50811 1 341 . 1 . 1 32 32 LYS HE2 H 1 2.915 0.05 . 1 . . . . . 32 LYS HE2 . 50811 1 342 . 1 . 1 32 32 LYS HE3 H 1 2.915 0.05 . 1 . . . . . 32 LYS HE3 . 50811 1 343 . 1 . 1 32 32 LYS C C 13 177.61 0.1 . 1 . . . . . 32 LYS C . 50811 1 344 . 1 . 1 32 32 LYS CA C 13 58.313 0.015 . 1 . . . . . 32 LYS CA . 50811 1 345 . 1 . 1 32 32 LYS CB C 13 32.471 0.015 . 1 . . . . . 32 LYS CB . 50811 1 346 . 1 . 1 32 32 LYS CG C 13 25.907 0.015 . 1 . . . . . 32 LYS CG . 50811 1 347 . 1 . 1 32 32 LYS CD C 13 29.455 0.015 . 1 . . . . . 32 LYS CD . 50811 1 348 . 1 . 1 32 32 LYS CE C 13 42.171 0.015 . 1 . . . . . 32 LYS CE . 50811 1 349 . 1 . 1 32 32 LYS N N 15 112.944 0.05 . 1 . . . . . 32 LYS N . 50811 1 350 . 1 . 1 33 33 ALA H H 1 7.996 0.05 . 1 . . . . . 33 ALA H . 50811 1 351 . 1 . 1 33 33 ALA HA H 1 4.035 0.05 . 1 . . . . . 33 ALA HA . 50811 1 352 . 1 . 1 33 33 ALA HB1 H 1 1.151 0.05 . 1 . . . . . 33 ALA HB1 . 50811 1 353 . 1 . 1 33 33 ALA HB2 H 1 1.151 0.05 . 1 . . . . . 33 ALA HB2 . 50811 1 354 . 1 . 1 33 33 ALA HB3 H 1 1.151 0.05 . 1 . . . . . 33 ALA HB3 . 50811 1 355 . 1 . 1 33 33 ALA C C 13 177.515 0.1 . 1 . . . . . 33 ALA C . 50811 1 356 . 1 . 1 33 33 ALA CA C 13 53.071 0.015 . 1 . . . . . 33 ALA CA . 50811 1 357 . 1 . 1 33 33 ALA CB C 13 19.215 0.015 . 1 . . . . . 33 ALA CB . 50811 1 358 . 1 . 1 33 33 ALA N N 15 120.852 0.05 . 1 . . . . . 33 ALA N . 50811 1 359 . 1 . 1 34 34 LEU H H 1 7.74 0.05 . 1 . . . . . 34 LEU H . 50811 1 360 . 1 . 1 34 34 LEU HA H 1 4.866 0.05 . 1 . . . . . 34 LEU HA . 50811 1 361 . 1 . 1 34 34 LEU HB2 H 1 1.706 0.05 . 2 . . . . . 34 LEU HB2 . 50811 1 362 . 1 . 1 34 34 LEU HB3 H 1 1.518 0.05 . 2 . . . . . 34 LEU HB3 . 50811 1 363 . 1 . 1 34 34 LEU C C 13 173.218 0.1 . 1 . . . . . 34 LEU C . 50811 1 364 . 1 . 1 34 34 LEU CA C 13 53.4 0.015 . 1 . . . . . 34 LEU CA . 50811 1 365 . 1 . 1 34 34 LEU CB C 13 42.249 0.015 . 1 . . . . . 34 LEU CB . 50811 1 366 . 1 . 1 34 34 LEU N N 15 118.621 0.05 . 1 . . . . . 34 LEU N . 50811 1 367 . 1 . 1 35 35 PRO HA H 1 4.581 0.05 . 1 . . . . . 35 PRO HA . 50811 1 368 . 1 . 1 35 35 PRO HB2 H 1 2.108 0.05 . 1 . . . . . 35 PRO HB2 . 50811 1 369 . 1 . 1 35 35 PRO HB3 H 1 2.108 0.05 . 1 . . . . . 35 PRO HB3 . 50811 1 370 . 1 . 1 35 35 PRO HG2 H 1 1.732 0.05 . 1 . . . . . 35 PRO HG2 . 50811 1 371 . 1 . 1 35 35 PRO HG3 H 1 1.732 0.05 . 1 . . . . . 35 PRO HG3 . 50811 1 372 . 1 . 1 35 35 PRO HD2 H 1 3.455 0.05 . 1 . . . . . 35 PRO HD2 . 50811 1 373 . 1 . 1 35 35 PRO HD3 H 1 3.455 0.05 . 1 . . . . . 35 PRO HD3 . 50811 1 374 . 1 . 1 35 35 PRO C C 13 178.341 0.1 . 1 . . . . . 35 PRO C . 50811 1 375 . 1 . 1 35 35 PRO CA C 13 64.654 0.015 . 1 . . . . . 35 PRO CA . 50811 1 376 . 1 . 1 35 35 PRO CB C 13 31.5 0.015 . 1 . . . . . 35 PRO CB . 50811 1 377 . 1 . 1 35 35 PRO CG C 13 27.293 0.015 . 1 . . . . . 35 PRO CG . 50811 1 378 . 1 . 1 35 35 PRO CD C 13 49.909 0.015 . 1 . . . . . 35 PRO CD . 50811 1 379 . 1 . 1 36 36 HIS H H 1 8.345 0.05 . 1 . . . . . 36 HIS H . 50811 1 380 . 1 . 1 36 36 HIS HA H 1 4.423 0.05 . 1 . . . . . 36 HIS HA . 50811 1 381 . 1 . 1 36 36 HIS HB2 H 1 3.207 0.05 . 1 . . . . . 36 HIS HB2 . 50811 1 382 . 1 . 1 36 36 HIS HB3 H 1 3.207 0.05 . 1 . . . . . 36 HIS HB3 . 50811 1 383 . 1 . 1 36 36 HIS HD2 H 1 7.015 0.002 . 1 . . . . . 36 HIS HD2 . 50811 1 384 . 1 . 1 36 36 HIS HE1 H 1 7.884 0.05 . 1 . . . . . 36 HIS HE1 . 50811 1 385 . 1 . 1 36 36 HIS C C 13 175.269 0.1 . 1 . . . . . 36 HIS C . 50811 1 386 . 1 . 1 36 36 HIS CA C 13 57.129 0.015 . 1 . . . . . 36 HIS CA . 50811 1 387 . 1 . 1 36 36 HIS CB C 13 29.75 0.015 . 1 . . . . . 36 HIS CB . 50811 1 388 . 1 . 1 36 36 HIS CD2 C 13 119.604 0.015 . 1 . . . . . 36 HIS CD2 . 50811 1 389 . 1 . 1 36 36 HIS CE1 C 13 138.354 0.015 . 1 . . . . . 36 HIS CE1 . 50811 1 390 . 1 . 1 36 36 HIS N N 15 115.416 0.05 . 1 . . . . . 36 HIS N . 50811 1 391 . 1 . 1 37 37 ALA H H 1 7.62 0.05 . 1 . . . . . 37 ALA H . 50811 1 392 . 1 . 1 37 37 ALA HA H 1 4.019 0.05 . 1 . . . . . 37 ALA HA . 50811 1 393 . 1 . 1 37 37 ALA HB1 H 1 1.393 0.05 . 1 . . . . . 37 ALA HB1 . 50811 1 394 . 1 . 1 37 37 ALA HB2 H 1 1.393 0.05 . 1 . . . . . 37 ALA HB2 . 50811 1 395 . 1 . 1 37 37 ALA HB3 H 1 1.393 0.05 . 1 . . . . . 37 ALA HB3 . 50811 1 396 . 1 . 1 37 37 ALA C C 13 177.632 0.1 . 1 . . . . . 37 ALA C . 50811 1 397 . 1 . 1 37 37 ALA CA C 13 53.458 0.015 . 1 . . . . . 37 ALA CA . 50811 1 398 . 1 . 1 37 37 ALA CB C 13 21.161 0.015 . 1 . . . . . 37 ALA CB . 50811 1 399 . 1 . 1 37 37 ALA N N 15 122.194 0.05 . 1 . . . . . 37 ALA N . 50811 1 400 . 1 . 1 38 38 ILE H H 1 8.209 0.05 . 1 . . . . . 38 ILE H . 50811 1 401 . 1 . 1 38 38 ILE HA H 1 4.379 0.05 . 1 . . . . . 38 ILE HA . 50811 1 402 . 1 . 1 38 38 ILE HB H 1 1.587 0.05 . 1 . . . . . 38 ILE HB . 50811 1 403 . 1 . 1 38 38 ILE HG12 H 1 1.417 0.05 . 1 . . . . . 38 ILE HG12 . 50811 1 404 . 1 . 1 38 38 ILE HG13 H 1 1.417 0.05 . 1 . . . . . 38 ILE HG13 . 50811 1 405 . 1 . 1 38 38 ILE HG21 H 1 0.606 0.05 . 1 . . . . . 38 ILE HG21 . 50811 1 406 . 1 . 1 38 38 ILE HG22 H 1 0.606 0.05 . 1 . . . . . 38 ILE HG22 . 50811 1 407 . 1 . 1 38 38 ILE HG23 H 1 0.606 0.05 . 1 . . . . . 38 ILE HG23 . 50811 1 408 . 1 . 1 38 38 ILE HD11 H 1 0.606 0.05 . 1 . . . . . 38 ILE HD11 . 50811 1 409 . 1 . 1 38 38 ILE HD12 H 1 0.606 0.05 . 1 . . . . . 38 ILE HD12 . 50811 1 410 . 1 . 1 38 38 ILE HD13 H 1 0.606 0.05 . 1 . . . . . 38 ILE HD13 . 50811 1 411 . 1 . 1 38 38 ILE C C 13 174.635 0.1 . 1 . . . . . 38 ILE C . 50811 1 412 . 1 . 1 38 38 ILE CA C 13 61.057 0.015 . 1 . . . . . 38 ILE CA . 50811 1 413 . 1 . 1 38 38 ILE CB C 13 40.032 0.015 . 1 . . . . . 38 ILE CB . 50811 1 414 . 1 . 1 38 38 ILE CG1 C 13 28.003 0.015 . 1 . . . . . 38 ILE CG1 . 50811 1 415 . 1 . 1 38 38 ILE CG2 C 13 17.709 0.015 . 1 . . . . . 38 ILE CG2 . 50811 1 416 . 1 . 1 38 38 ILE CD1 C 13 13.347 0.015 . 1 . . . . . 38 ILE CD1 . 50811 1 417 . 1 . 1 38 38 ILE N N 15 120.276 0.05 . 1 . . . . . 38 ILE N . 50811 1 418 . 1 . 1 39 39 THR H H 1 8.503 0.05 . 1 . . . . . 39 THR H . 50811 1 419 . 1 . 1 39 39 THR HA H 1 4.271 0.05 . 1 . . . . . 39 THR HA . 50811 1 420 . 1 . 1 39 39 THR HB H 1 4.14 0.05 . 1 . . . . . 39 THR HB . 50811 1 421 . 1 . 1 39 39 THR HG21 H 1 1.051 0.05 . 1 . . . . . 39 THR HG21 . 50811 1 422 . 1 . 1 39 39 THR HG22 H 1 1.051 0.05 . 1 . . . . . 39 THR HG22 . 50811 1 423 . 1 . 1 39 39 THR HG23 H 1 1.051 0.05 . 1 . . . . . 39 THR HG23 . 50811 1 424 . 1 . 1 39 39 THR C C 13 175.694 0.1 . 1 . . . . . 39 THR C . 50811 1 425 . 1 . 1 39 39 THR CA C 13 61.841 0.015 . 1 . . . . . 39 THR CA . 50811 1 426 . 1 . 1 39 39 THR CB C 13 68.817 0.015 . 1 . . . . . 39 THR CB . 50811 1 427 . 1 . 1 39 39 THR CG2 C 13 21.941 0.015 . 1 . . . . . 39 THR CG2 . 50811 1 428 . 1 . 1 39 39 THR N N 15 116.787 0.05 . 1 . . . . . 39 THR N . 50811 1 429 . 1 . 1 40 40 GLY H H 1 7.26 0.05 . 1 . . . . . 40 GLY H . 50811 1 430 . 1 . 1 40 40 GLY HA2 H 1 3.974 0.05 . 1 . . . . . 40 GLY HA2 . 50811 1 431 . 1 . 1 40 40 GLY HA3 H 1 3.974 0.05 . 1 . . . . . 40 GLY HA3 . 50811 1 432 . 1 . 1 40 40 GLY C C 13 170.173 0.1 . 1 . . . . . 40 GLY C . 50811 1 433 . 1 . 1 40 40 GLY CA C 13 45.839 0.015 . 1 . . . . . 40 GLY CA . 50811 1 434 . 1 . 1 40 40 GLY N N 15 108.44 0.05 . 1 . . . . . 40 GLY N . 50811 1 435 . 1 . 1 41 41 VAL H H 1 8.18 0.05 . 1 . . . . . 41 VAL H . 50811 1 436 . 1 . 1 41 41 VAL HA H 1 4.812 0.05 . 1 . . . . . 41 VAL HA . 50811 1 437 . 1 . 1 41 41 VAL HB H 1 1.839 0.05 . 1 . . . . . 41 VAL HB . 50811 1 438 . 1 . 1 41 41 VAL HG11 H 1 0.76 0.05 . 1 . . . . . 41 VAL HG11 . 50811 1 439 . 1 . 1 41 41 VAL HG12 H 1 0.76 0.05 . 1 . . . . . 41 VAL HG12 . 50811 1 440 . 1 . 1 41 41 VAL HG13 H 1 0.76 0.05 . 1 . . . . . 41 VAL HG13 . 50811 1 441 . 1 . 1 41 41 VAL HG21 H 1 0.76 0.05 . 1 . . . . . 41 VAL HG21 . 50811 1 442 . 1 . 1 41 41 VAL HG22 H 1 0.76 0.05 . 1 . . . . . 41 VAL HG22 . 50811 1 443 . 1 . 1 41 41 VAL HG23 H 1 0.76 0.05 . 1 . . . . . 41 VAL HG23 . 50811 1 444 . 1 . 1 41 41 VAL C C 13 174.99 0.1 . 1 . . . . . 41 VAL C . 50811 1 445 . 1 . 1 41 41 VAL CA C 13 61.715 0.015 . 1 . . . . . 41 VAL CA . 50811 1 446 . 1 . 1 41 41 VAL CB C 13 34.926 0.015 . 1 . . . . . 41 VAL CB . 50811 1 447 . 1 . 1 41 41 VAL CG1 C 13 20.866 0.015 . 1 . . . . . 41 VAL CG1 . 50811 1 448 . 1 . 1 41 41 VAL CG2 C 13 20.866 0.015 . 1 . . . . . 41 VAL CG2 . 50811 1 449 . 1 . 1 41 41 VAL N N 15 120.07 0.05 . 1 . . . . . 41 VAL N . 50811 1 450 . 1 . 1 42 42 GLN H H 1 9.027 0.05 . 1 . . . . . 42 GLN H . 50811 1 451 . 1 . 1 42 42 GLN HA H 1 4.741 0.05 . 1 . . . . . 42 GLN HA . 50811 1 452 . 1 . 1 42 42 GLN HB2 H 1 2.203 0.05 . 1 . . . . . 42 GLN HB2 . 50811 1 453 . 1 . 1 42 42 GLN HB3 H 1 2.203 0.05 . 1 . . . . . 42 GLN HB3 . 50811 1 454 . 1 . 1 42 42 GLN HG2 H 1 2.203 0.05 . 1 . . . . . 42 GLN HG2 . 50811 1 455 . 1 . 1 42 42 GLN HG3 H 1 2.203 0.05 . 1 . . . . . 42 GLN HG3 . 50811 1 456 . 1 . 1 42 42 GLN HE21 H 1 6.748 0.05 . 1 . . . . . 42 GLN HE21 . 50811 1 457 . 1 . 1 42 42 GLN HE22 H 1 7.497 0.05 . 1 . . . . . 42 GLN HE22 . 50811 1 458 . 1 . 1 42 42 GLN C C 13 175.503 0.1 . 1 . . . . . 42 GLN C . 50811 1 459 . 1 . 1 42 42 GLN CA C 13 53.712 0.015 . 1 . . . . . 42 GLN CA . 50811 1 460 . 1 . 1 42 42 GLN CB C 13 33.214 0.015 . 1 . . . . . 42 GLN CB . 50811 1 461 . 1 . 1 42 42 GLN CG C 13 33.573 0.015 . 1 . . . . . 42 GLN CG . 50811 1 462 . 1 . 1 42 42 GLN CD C 13 179.936 0.015 . 1 . . . . . 42 GLN CD . 50811 1 463 . 1 . 1 42 42 GLN N N 15 124.923 0.05 . 1 . . . . . 42 GLN N . 50811 1 464 . 1 . 1 42 42 GLN NE2 N 15 111.422 0.05 . 1 . . . . . 42 GLN NE2 . 50811 1 465 . 1 . 1 43 43 THR H H 1 9.171 0.05 . 1 . . . . . 43 THR H . 50811 1 466 . 1 . 1 43 43 THR HA H 1 4.314 0.05 . 1 . . . . . 43 THR HA . 50811 1 467 . 1 . 1 43 43 THR HB H 1 4.01 0.05 . 1 . . . . . 43 THR HB . 50811 1 468 . 1 . 1 43 43 THR HG21 H 1 0.962 0.05 . 1 . . . . . 43 THR HG21 . 50811 1 469 . 1 . 1 43 43 THR HG22 H 1 0.962 0.05 . 1 . . . . . 43 THR HG22 . 50811 1 470 . 1 . 1 43 43 THR HG23 H 1 0.962 0.05 . 1 . . . . . 43 THR HG23 . 50811 1 471 . 1 . 1 43 43 THR C C 13 174.347 0.1 . 1 . . . . . 43 THR C . 50811 1 472 . 1 . 1 43 43 THR CA C 13 63.971 0.015 . 1 . . . . . 43 THR CA . 50811 1 473 . 1 . 1 43 43 THR CB C 13 68.626 0.015 . 1 . . . . . 43 THR CB . 50811 1 474 . 1 . 1 43 43 THR CG2 C 13 22.302 0.015 . 1 . . . . . 43 THR CG2 . 50811 1 475 . 1 . 1 43 43 THR N N 15 122.393 0.05 . 1 . . . . . 43 THR N . 50811 1 476 . 1 . 1 44 44 LEU H H 1 9.139 0.05 . 1 . . . . . 44 LEU H . 50811 1 477 . 1 . 1 44 44 LEU HA H 1 4.396 0.05 . 1 . . . . . 44 LEU HA . 50811 1 478 . 1 . 1 44 44 LEU HB2 H 1 1.534 0.05 . 1 . . . . . 44 LEU HB2 . 50811 1 479 . 1 . 1 44 44 LEU HB3 H 1 1.534 0.05 . 1 . . . . . 44 LEU HB3 . 50811 1 480 . 1 . 1 44 44 LEU HG H 1 1.562 0.05 . 1 . . . . . 44 LEU HG . 50811 1 481 . 1 . 1 44 44 LEU HD11 H 1 0.828 0.05 . 1 . . . . . 44 LEU HD11 . 50811 1 482 . 1 . 1 44 44 LEU HD12 H 1 0.828 0.05 . 1 . . . . . 44 LEU HD12 . 50811 1 483 . 1 . 1 44 44 LEU HD13 H 1 0.828 0.05 . 1 . . . . . 44 LEU HD13 . 50811 1 484 . 1 . 1 44 44 LEU HD21 H 1 0.828 0.05 . 1 . . . . . 44 LEU HD21 . 50811 1 485 . 1 . 1 44 44 LEU HD22 H 1 0.828 0.05 . 1 . . . . . 44 LEU HD22 . 50811 1 486 . 1 . 1 44 44 LEU HD23 H 1 0.828 0.05 . 1 . . . . . 44 LEU HD23 . 50811 1 487 . 1 . 1 44 44 LEU C C 13 176.972 0.1 . 1 . . . . . 44 LEU C . 50811 1 488 . 1 . 1 44 44 LEU CA C 13 55.768 0.015 . 1 . . . . . 44 LEU CA . 50811 1 489 . 1 . 1 44 44 LEU CB C 13 42.683 0.015 . 1 . . . . . 44 LEU CB . 50811 1 490 . 1 . 1 44 44 LEU CG C 13 25.971 0.015 . 1 . . . . . 44 LEU CG . 50811 1 491 . 1 . 1 44 44 LEU CD1 C 13 22.142 0.015 . 1 . . . . . 44 LEU CD1 . 50811 1 492 . 1 . 1 44 44 LEU CD2 C 13 22.142 0.015 . 1 . . . . . 44 LEU CD2 . 50811 1 493 . 1 . 1 44 44 LEU N N 15 128.716 0.05 . 1 . . . . . 44 LEU N . 50811 1 494 . 1 . 1 45 45 GLU H H 1 7.545 0.05 . 1 . . . . . 45 GLU H . 50811 1 495 . 1 . 1 45 45 GLU HA H 1 4.571 0.05 . 1 . . . . . 45 GLU HA . 50811 1 496 . 1 . 1 45 45 GLU HB2 H 1 2.12 0.05 . 1 . . . . . 45 GLU HB2 . 50811 1 497 . 1 . 1 45 45 GLU HB3 H 1 2.12 0.05 . 1 . . . . . 45 GLU HB3 . 50811 1 498 . 1 . 1 45 45 GLU HG2 H 1 2.153 0.05 . 1 . . . . . 45 GLU HG2 . 50811 1 499 . 1 . 1 45 45 GLU HG3 H 1 2.153 0.05 . 1 . . . . . 45 GLU HG3 . 50811 1 500 . 1 . 1 45 45 GLU C C 13 174.635 0.1 . 1 . . . . . 45 GLU C . 50811 1 501 . 1 . 1 45 45 GLU CA C 13 55.777 0.015 . 1 . . . . . 45 GLU CA . 50811 1 502 . 1 . 1 45 45 GLU CB C 13 33.491 0.015 . 1 . . . . . 45 GLU CB . 50811 1 503 . 1 . 1 45 45 GLU CG C 13 36.083 0.015 . 1 . . . . . 45 GLU CG . 50811 1 504 . 1 . 1 45 45 GLU N N 15 115.854 0.05 . 1 . . . . . 45 GLU N . 50811 1 505 . 1 . 1 46 46 GLY H H 1 8.548 0.05 . 1 . . . . . 46 GLY H . 50811 1 506 . 1 . 1 46 46 GLY HA2 H 1 3.828 0.05 . 1 . . . . . 46 GLY HA2 . 50811 1 507 . 1 . 1 46 46 GLY HA3 H 1 3.828 0.05 . 1 . . . . . 46 GLY HA3 . 50811 1 508 . 1 . 1 46 46 GLY C C 13 173.966 0.1 . 1 . . . . . 46 GLY C . 50811 1 509 . 1 . 1 46 46 GLY CA C 13 44.508 0.015 . 1 . . . . . 46 GLY CA . 50811 1 510 . 1 . 1 46 46 GLY N N 15 109.912 0.05 . 1 . . . . . 46 GLY N . 50811 1 511 . 1 . 1 47 47 ASP H H 1 7.976 0.05 . 1 . . . . . 47 ASP H . 50811 1 512 . 1 . 1 47 47 ASP HA H 1 4.692 0.05 . 1 . . . . . 47 ASP HA . 50811 1 513 . 1 . 1 47 47 ASP HB2 H 1 3.025 0.05 . 2 . . . . . 47 ASP HB2 . 50811 1 514 . 1 . 1 47 47 ASP HB3 H 1 2.584 0.05 . 2 . . . . . 47 ASP HB3 . 50811 1 515 . 1 . 1 47 47 ASP C C 13 177.107 0.1 . 1 . . . . . 47 ASP C . 50811 1 516 . 1 . 1 47 47 ASP CA C 13 53.426 0.015 . 1 . . . . . 47 ASP CA . 50811 1 517 . 1 . 1 47 47 ASP CB C 13 41.533 0.015 . 1 . . . . . 47 ASP CB . 50811 1 518 . 1 . 1 47 47 ASP N N 15 115.804 0.05 . 1 . . . . . 47 ASP N . 50811 1 519 . 1 . 1 48 48 GLY H H 1 8.575 0.05 . 1 . . . . . 48 GLY H . 50811 1 520 . 1 . 1 48 48 GLY HA2 H 1 3.513 0.05 . 2 . . . . . 48 GLY HA2 . 50811 1 521 . 1 . 1 48 48 GLY HA3 H 1 4.594 0.05 . 2 . . . . . 48 GLY HA3 . 50811 1 522 . 1 . 1 48 48 GLY C C 13 174.584 0.1 . 1 . . . . . 48 GLY C . 50811 1 523 . 1 . 1 48 48 GLY CA C 13 45.186 0.015 . 1 . . . . . 48 GLY CA . 50811 1 524 . 1 . 1 48 48 GLY N N 15 110.575 0.05 . 1 . . . . . 48 GLY N . 50811 1 525 . 1 . 1 49 49 GLY H H 1 8.235 0.05 . 1 . . . . . 49 GLY H . 50811 1 526 . 1 . 1 49 49 GLY HA2 H 1 4.547 0.05 . 2 . . . . . 49 GLY HA2 . 50811 1 527 . 1 . 1 49 49 GLY HA3 H 1 3.899 0.05 . 2 . . . . . 49 GLY HA3 . 50811 1 528 . 1 . 1 49 49 GLY C C 13 175.455 0.1 . 1 . . . . . 49 GLY C . 50811 1 529 . 1 . 1 49 49 GLY CA C 13 42.989 0.015 . 1 . . . . . 49 GLY CA . 50811 1 530 . 1 . 1 49 49 GLY N N 15 106.466 0.05 . 1 . . . . . 49 GLY N . 50811 1 531 . 1 . 1 50 50 VAL H H 1 8.944 0.05 . 1 . . . . . 50 VAL H . 50811 1 532 . 1 . 1 50 50 VAL HA H 1 3.449 0.05 . 1 . . . . . 50 VAL HA . 50811 1 533 . 1 . 1 50 50 VAL HB H 1 2.031 0.05 . 1 . . . . . 50 VAL HB . 50811 1 534 . 1 . 1 50 50 VAL HG11 H 1 1.052 0.05 . 1 . . . . . 50 VAL HG11 . 50811 1 535 . 1 . 1 50 50 VAL HG12 H 1 1.052 0.05 . 1 . . . . . 50 VAL HG12 . 50811 1 536 . 1 . 1 50 50 VAL HG13 H 1 1.052 0.05 . 1 . . . . . 50 VAL HG13 . 50811 1 537 . 1 . 1 50 50 VAL HG21 H 1 1.052 0.05 . 1 . . . . . 50 VAL HG21 . 50811 1 538 . 1 . 1 50 50 VAL HG22 H 1 1.052 0.05 . 1 . . . . . 50 VAL HG22 . 50811 1 539 . 1 . 1 50 50 VAL HG23 H 1 1.052 0.05 . 1 . . . . . 50 VAL HG23 . 50811 1 540 . 1 . 1 50 50 VAL C C 13 177.02 0.1 . 1 . . . . . 50 VAL C . 50811 1 541 . 1 . 1 50 50 VAL CA C 13 65.9 0.015 . 1 . . . . . 50 VAL CA . 50811 1 542 . 1 . 1 50 50 VAL CB C 13 31.475 0.015 . 1 . . . . . 50 VAL CB . 50811 1 543 . 1 . 1 50 50 VAL CG1 C 13 21.181 0.015 . 2 . . . . . 50 VAL CG1 . 50811 1 544 . 1 . 1 50 50 VAL CG2 C 13 22.955 0.015 . 2 . . . . . 50 VAL CG2 . 50811 1 545 . 1 . 1 50 50 VAL N N 15 122.7 0.05 . 1 . . . . . 50 VAL N . 50811 1 546 . 1 . 1 51 51 GLY H H 1 9.459 0.05 . 1 . . . . . 51 GLY H . 50811 1 547 . 1 . 1 51 51 GLY HA2 H 1 4.55 0.05 . 2 . . . . . 51 GLY HA2 . 50811 1 548 . 1 . 1 51 51 GLY HA3 H 1 3.552 0.05 . 2 . . . . . 51 GLY HA3 . 50811 1 549 . 1 . 1 51 51 GLY C C 13 174.414 0.1 . 1 . . . . . 51 GLY C . 50811 1 550 . 1 . 1 51 51 GLY CA C 13 44.364 0.015 . 1 . . . . . 51 GLY CA . 50811 1 551 . 1 . 1 51 51 GLY N N 15 116.068 0.05 . 1 . . . . . 51 GLY N . 50811 1 552 . 1 . 1 52 52 THR H H 1 8.04 0.05 . 1 . . . . . 52 THR H . 50811 1 553 . 1 . 1 52 52 THR HA H 1 4.575 0.05 . 1 . . . . . 52 THR HA . 50811 1 554 . 1 . 1 52 52 THR HB H 1 4.126 0.05 . 1 . . . . . 52 THR HB . 50811 1 555 . 1 . 1 52 52 THR HG21 H 1 1.272 0.05 . 1 . . . . . 52 THR HG21 . 50811 1 556 . 1 . 1 52 52 THR HG22 H 1 1.272 0.05 . 1 . . . . . 52 THR HG22 . 50811 1 557 . 1 . 1 52 52 THR HG23 H 1 1.272 0.05 . 1 . . . . . 52 THR HG23 . 50811 1 558 . 1 . 1 52 52 THR C C 13 172.864 0.1 . 1 . . . . . 52 THR C . 50811 1 559 . 1 . 1 52 52 THR CA C 13 64.499 0.015 . 1 . . . . . 52 THR CA . 50811 1 560 . 1 . 1 52 52 THR CB C 13 68.998 0.015 . 1 . . . . . 52 THR CB . 50811 1 561 . 1 . 1 52 52 THR CG2 C 13 21.938 0.015 . 1 . . . . . 52 THR CG2 . 50811 1 562 . 1 . 1 52 52 THR N N 15 119.006 0.05 . 1 . . . . . 52 THR N . 50811 1 563 . 1 . 1 53 53 ILE H H 1 8.519 0.05 . 1 . . . . . 53 ILE H . 50811 1 564 . 1 . 1 53 53 ILE HA H 1 5.152 0.05 . 1 . . . . . 53 ILE HA . 50811 1 565 . 1 . 1 53 53 ILE HB H 1 1.752 0.05 . 1 . . . . . 53 ILE HB . 50811 1 566 . 1 . 1 53 53 ILE HG12 H 1 1.71 0.05 . 1 . . . . . 53 ILE HG12 . 50811 1 567 . 1 . 1 53 53 ILE HG13 H 1 1.71 0.05 . 1 . . . . . 53 ILE HG13 . 50811 1 568 . 1 . 1 53 53 ILE HG21 H 1 0.887 0.05 . 1 . . . . . 53 ILE HG21 . 50811 1 569 . 1 . 1 53 53 ILE HG22 H 1 0.887 0.05 . 1 . . . . . 53 ILE HG22 . 50811 1 570 . 1 . 1 53 53 ILE HG23 H 1 0.887 0.05 . 1 . . . . . 53 ILE HG23 . 50811 1 571 . 1 . 1 53 53 ILE HD11 H 1 0.765 0.05 . 1 . . . . . 53 ILE HD11 . 50811 1 572 . 1 . 1 53 53 ILE HD12 H 1 0.765 0.05 . 1 . . . . . 53 ILE HD12 . 50811 1 573 . 1 . 1 53 53 ILE HD13 H 1 0.765 0.05 . 1 . . . . . 53 ILE HD13 . 50811 1 574 . 1 . 1 53 53 ILE C C 13 175.653 0.1 . 1 . . . . . 53 ILE C . 50811 1 575 . 1 . 1 53 53 ILE CA C 13 59.006 0.015 . 1 . . . . . 53 ILE CA . 50811 1 576 . 1 . 1 53 53 ILE CB C 13 39.914 0.015 . 1 . . . . . 53 ILE CB . 50811 1 577 . 1 . 1 53 53 ILE CG1 C 13 27.109 0.015 . 1 . . . . . 53 ILE CG1 . 50811 1 578 . 1 . 1 53 53 ILE CG2 C 13 17.965 0.015 . 1 . . . . . 53 ILE CG2 . 50811 1 579 . 1 . 1 53 53 ILE CD1 C 13 11.804 0.015 . 1 . . . . . 53 ILE CD1 . 50811 1 580 . 1 . 1 53 53 ILE N N 15 126.041 0.05 . 1 . . . . . 53 ILE N . 50811 1 581 . 1 . 1 54 54 LYS H H 1 8.83 0.05 . 1 . . . . . 54 LYS H . 50811 1 582 . 1 . 1 54 54 LYS HA H 1 5.154 0.05 . 1 . . . . . 54 LYS HA . 50811 1 583 . 1 . 1 54 54 LYS HD2 H 1 1.382 0.05 . 1 . . . . . 54 LYS HD2 . 50811 1 584 . 1 . 1 54 54 LYS HD3 H 1 1.382 0.05 . 1 . . . . . 54 LYS HD3 . 50811 1 585 . 1 . 1 54 54 LYS C C 13 173.731 0.1 . 1 . . . . . 54 LYS C . 50811 1 586 . 1 . 1 54 54 LYS CA C 13 53.799 0.015 . 1 . . . . . 54 LYS CA . 50811 1 587 . 1 . 1 54 54 LYS CB C 13 36.618 0.015 . 1 . . . . . 54 LYS CB . 50811 1 588 . 1 . 1 54 54 LYS CD C 13 29.617 0.015 . 1 . . . . . 54 LYS CD . 50811 1 589 . 1 . 1 54 54 LYS CE C 13 41.981 0.015 . 1 . . . . . 54 LYS CE . 50811 1 590 . 1 . 1 54 54 LYS N N 15 125.63 0.05 . 1 . . . . . 54 LYS N . 50811 1 591 . 1 . 1 55 55 LEU H H 1 9.15 0.05 . 1 . . . . . 55 LEU H . 50811 1 592 . 1 . 1 55 55 LEU HA H 1 5.076 0.05 . 1 . . . . . 55 LEU HA . 50811 1 593 . 1 . 1 55 55 LEU HB2 H 1 1.798 0.05 . 1 . . . . . 55 LEU HB2 . 50811 1 594 . 1 . 1 55 55 LEU HB3 H 1 1.798 0.05 . 1 . . . . . 55 LEU HB3 . 50811 1 595 . 1 . 1 55 55 LEU HG H 1 1.258 0.05 . 1 . . . . . 55 LEU HG . 50811 1 596 . 1 . 1 55 55 LEU HD11 H 1 0.827 0.05 . 1 . . . . . 55 LEU HD11 . 50811 1 597 . 1 . 1 55 55 LEU HD12 H 1 0.827 0.05 . 1 . . . . . 55 LEU HD12 . 50811 1 598 . 1 . 1 55 55 LEU HD13 H 1 0.827 0.05 . 1 . . . . . 55 LEU HD13 . 50811 1 599 . 1 . 1 55 55 LEU HD21 H 1 0.827 0.05 . 1 . . . . . 55 LEU HD21 . 50811 1 600 . 1 . 1 55 55 LEU HD22 H 1 0.827 0.05 . 1 . . . . . 55 LEU HD22 . 50811 1 601 . 1 . 1 55 55 LEU HD23 H 1 0.827 0.05 . 1 . . . . . 55 LEU HD23 . 50811 1 602 . 1 . 1 55 55 LEU C C 13 175.582 0.1 . 1 . . . . . 55 LEU C . 50811 1 603 . 1 . 1 55 55 LEU CA C 13 53.45 0.015 . 1 . . . . . 55 LEU CA . 50811 1 604 . 1 . 1 55 55 LEU CB C 13 47.081 0.015 . 1 . . . . . 55 LEU CB . 50811 1 605 . 1 . 1 55 55 LEU CG C 13 26.013 0.015 . 1 . . . . . 55 LEU CG . 50811 1 606 . 1 . 1 55 55 LEU CD1 C 13 24.365 0.015 . 1 . . . . . 55 LEU CD1 . 50811 1 607 . 1 . 1 55 55 LEU CD2 C 13 24.365 0.015 . 1 . . . . . 55 LEU CD2 . 50811 1 608 . 1 . 1 55 55 LEU N N 15 123.32 0.05 . 1 . . . . . 55 LEU N . 50811 1 609 . 1 . 1 56 56 THR H H 1 9.163 0.05 . 1 . . . . . 56 THR H . 50811 1 610 . 1 . 1 56 56 THR HA H 1 4.899 0.05 . 1 . . . . . 56 THR HA . 50811 1 611 . 1 . 1 56 56 THR HB H 1 3.821 0.05 . 1 . . . . . 56 THR HB . 50811 1 612 . 1 . 1 56 56 THR HG21 H 1 0.641 0.05 . 1 . . . . . 56 THR HG21 . 50811 1 613 . 1 . 1 56 56 THR HG22 H 1 0.641 0.05 . 1 . . . . . 56 THR HG22 . 50811 1 614 . 1 . 1 56 56 THR HG23 H 1 0.641 0.05 . 1 . . . . . 56 THR HG23 . 50811 1 615 . 1 . 1 56 56 THR C C 13 173.285 0.1 . 1 . . . . . 56 THR C . 50811 1 616 . 1 . 1 56 56 THR CA C 13 62.521 0.015 . 1 . . . . . 56 THR CA . 50811 1 617 . 1 . 1 56 56 THR CB C 13 69.06 0.015 . 1 . . . . . 56 THR CB . 50811 1 618 . 1 . 1 56 56 THR CG2 C 13 22.162 0.015 . 1 . . . . . 56 THR CG2 . 50811 1 619 . 1 . 1 56 56 THR N N 15 127.451 0.05 . 1 . . . . . 56 THR N . 50811 1 620 . 1 . 1 57 57 THR H H 1 8.513 0.05 . 1 . . . . . 57 THR H . 50811 1 621 . 1 . 1 57 57 THR HA H 1 4.381 0.05 . 1 . . . . . 57 THR HA . 50811 1 622 . 1 . 1 57 57 THR HB H 1 3.954 0.05 . 1 . . . . . 57 THR HB . 50811 1 623 . 1 . 1 57 57 THR C C 13 173.626 0.1 . 1 . . . . . 57 THR C . 50811 1 624 . 1 . 1 57 57 THR CA C 13 60.742 0.015 . 1 . . . . . 57 THR CA . 50811 1 625 . 1 . 1 57 57 THR CB C 13 69.732 0.015 . 1 . . . . . 57 THR CB . 50811 1 626 . 1 . 1 57 57 THR CG2 C 13 21.561 0.015 . 1 . . . . . 57 THR CG2 . 50811 1 627 . 1 . 1 57 57 THR N N 15 119.541 0.05 . 1 . . . . . 57 THR N . 50811 1 628 . 1 . 1 58 58 PHE H H 1 8.473 0.05 . 1 . . . . . 58 PHE H . 50811 1 629 . 1 . 1 58 58 PHE HA H 1 5.265 0.05 . 1 . . . . . 58 PHE HA . 50811 1 630 . 1 . 1 58 58 PHE HB2 H 1 3.452 0.05 . 2 . . . . . 58 PHE HB2 . 50811 1 631 . 1 . 1 58 58 PHE HB3 H 1 3.048 0.05 . 2 . . . . . 58 PHE HB3 . 50811 1 632 . 1 . 1 58 58 PHE HD1 H 1 7.209 0.001 . 3 . . . . . 58 PHE HD1 . 50811 1 633 . 1 . 1 58 58 PHE HD2 H 1 7.209 0.001 . 3 . . . . . 58 PHE HD2 . 50811 1 634 . 1 . 1 58 58 PHE HE1 H 1 7.112 0.05 . 3 . . . . . 58 PHE HE1 . 50811 1 635 . 1 . 1 58 58 PHE HE2 H 1 7.112 0.05 . 3 . . . . . 58 PHE HE2 . 50811 1 636 . 1 . 1 58 58 PHE C C 13 176.276 0.1 . 1 . . . . . 58 PHE C . 50811 1 637 . 1 . 1 58 58 PHE CA C 13 56.88 0.015 . 1 . . . . . 58 PHE CA . 50811 1 638 . 1 . 1 58 58 PHE CB C 13 41.593 0.015 . 1 . . . . . 58 PHE CB . 50811 1 639 . 1 . 1 58 58 PHE CD1 C 13 132.201 0.015 . 3 . . . . . 58 PHE CD1 . 50811 1 640 . 1 . 1 58 58 PHE CD2 C 13 132.201 0.015 . 3 . . . . . 58 PHE CD2 . 50811 1 641 . 1 . 1 58 58 PHE CE1 C 13 130.963 0.015 . 3 . . . . . 58 PHE CE1 . 50811 1 642 . 1 . 1 58 58 PHE CE2 C 13 130.963 0.015 . 3 . . . . . 58 PHE CE2 . 50811 1 643 . 1 . 1 58 58 PHE N N 15 123.235 0.05 . 1 . . . . . 58 PHE N . 50811 1 644 . 1 . 1 59 59 GLY H H 1 8.104 0.05 . 1 . . . . . 59 GLY H . 50811 1 645 . 1 . 1 59 59 GLY HA2 H 1 4.222 0.05 . 2 . . . . . 59 GLY HA2 . 50811 1 646 . 1 . 1 59 59 GLY HA3 H 1 3.794 0.05 . 2 . . . . . 59 GLY HA3 . 50811 1 647 . 1 . 1 59 59 GLY C C 13 174.034 0.1 . 1 . . . . . 59 GLY C . 50811 1 648 . 1 . 1 59 59 GLY CA C 13 44.556 0.015 . 1 . . . . . 59 GLY CA . 50811 1 649 . 1 . 1 59 59 GLY N N 15 106.558 0.05 . 1 . . . . . 59 GLY N . 50811 1 650 . 1 . 1 60 60 GLU H H 1 8.409 0.05 . 1 . . . . . 60 GLU H . 50811 1 651 . 1 . 1 60 60 GLU HA H 1 4.179 0.05 . 1 . . . . . 60 GLU HA . 50811 1 652 . 1 . 1 60 60 GLU HB2 H 1 2.035 0.05 . 1 . . . . . 60 GLU HB2 . 50811 1 653 . 1 . 1 60 60 GLU HB3 H 1 2.035 0.05 . 1 . . . . . 60 GLU HB3 . 50811 1 654 . 1 . 1 60 60 GLU C C 13 177.382 0.1 . 1 . . . . . 60 GLU C . 50811 1 655 . 1 . 1 60 60 GLU CA C 13 57.432 0.015 . 1 . . . . . 60 GLU CA . 50811 1 656 . 1 . 1 60 60 GLU CB C 13 30.125 0.015 . 1 . . . . . 60 GLU CB . 50811 1 657 . 1 . 1 60 60 GLU CG C 13 36.042 0.015 . 1 . . . . . 60 GLU CG . 50811 1 658 . 1 . 1 60 60 GLU N N 15 120.953 0.05 . 1 . . . . . 60 GLU N . 50811 1 659 . 1 . 1 61 61 GLY HA2 H 1 4.122 0.05 . 2 . . . . . 61 GLY HA2 . 50811 1 660 . 1 . 1 61 61 GLY HA3 H 1 3.794 0.05 . 2 . . . . . 61 GLY HA3 . 50811 1 661 . 1 . 1 61 61 GLY C C 13 174.716 0.1 . 1 . . . . . 61 GLY C . 50811 1 662 . 1 . 1 61 61 GLY CA C 13 45.418 0.015 . 1 . . . . . 61 GLY CA . 50811 1 663 . 1 . 1 62 62 SER H H 1 7.761 0.05 . 1 . . . . . 62 SER H . 50811 1 664 . 1 . 1 62 62 SER HA H 1 4.436 0.05 . 1 . . . . . 62 SER HA . 50811 1 665 . 1 . 1 62 62 SER HB2 H 1 3.872 0.05 . 1 . . . . . 62 SER HB2 . 50811 1 666 . 1 . 1 62 62 SER HB3 H 1 3.872 0.05 . 1 . . . . . 62 SER HB3 . 50811 1 667 . 1 . 1 62 62 SER C C 13 174.796 0.1 . 1 . . . . . 62 SER C . 50811 1 668 . 1 . 1 62 62 SER CA C 13 57.882 0.015 . 1 . . . . . 62 SER CA . 50811 1 669 . 1 . 1 62 62 SER CB C 13 64.019 0.015 . 1 . . . . . 62 SER CB . 50811 1 670 . 1 . 1 62 62 SER N N 15 115.463 0.05 . 1 . . . . . 62 SER N . 50811 1 671 . 1 . 1 63 63 VAL H H 1 8.213 0.05 . 1 . . . . . 63 VAL H . 50811 1 672 . 1 . 1 63 63 VAL HA H 1 3.808 0.05 . 1 . . . . . 63 VAL HA . 50811 1 673 . 1 . 1 63 63 VAL HB H 1 1.807 0.05 . 1 . . . . . 63 VAL HB . 50811 1 674 . 1 . 1 63 63 VAL HG11 H 1 0.708 0.05 . 1 . . . . . 63 VAL HG11 . 50811 1 675 . 1 . 1 63 63 VAL HG12 H 1 0.708 0.05 . 1 . . . . . 63 VAL HG12 . 50811 1 676 . 1 . 1 63 63 VAL HG13 H 1 0.708 0.05 . 1 . . . . . 63 VAL HG13 . 50811 1 677 . 1 . 1 63 63 VAL HG21 H 1 0.708 0.05 . 1 . . . . . 63 VAL HG21 . 50811 1 678 . 1 . 1 63 63 VAL HG22 H 1 0.708 0.05 . 1 . . . . . 63 VAL HG22 . 50811 1 679 . 1 . 1 63 63 VAL HG23 H 1 0.708 0.05 . 1 . . . . . 63 VAL HG23 . 50811 1 680 . 1 . 1 63 63 VAL C C 13 175.92 0.1 . 1 . . . . . 63 VAL C . 50811 1 681 . 1 . 1 63 63 VAL CA C 13 64.218 0.015 . 1 . . . . . 63 VAL CA . 50811 1 682 . 1 . 1 63 63 VAL CB C 13 31.994 0.015 . 1 . . . . . 63 VAL CB . 50811 1 683 . 1 . 1 63 63 VAL CG1 C 13 20.537 0.015 . 1 . . . . . 63 VAL CG1 . 50811 1 684 . 1 . 1 63 63 VAL CG2 C 13 20.537 0.015 . 1 . . . . . 63 VAL CG2 . 50811 1 685 . 1 . 1 63 63 VAL N N 15 123.145 0.05 . 1 . . . . . 63 VAL N . 50811 1 686 . 1 . 1 64 64 HIS H H 1 7.647 0.05 . 1 . . . . . 64 HIS H . 50811 1 687 . 1 . 1 64 64 HIS HA H 1 4.828 0.05 . 1 . . . . . 64 HIS HA . 50811 1 688 . 1 . 1 64 64 HIS HB2 H 1 2.718 0.05 . 2 . . . . . 64 HIS HB2 . 50811 1 689 . 1 . 1 64 64 HIS HB3 H 1 3.047 0.05 . 2 . . . . . 64 HIS HB3 . 50811 1 690 . 1 . 1 64 64 HIS HD2 H 1 6.934 0.002 . 1 . . . . . 64 HIS HD2 . 50811 1 691 . 1 . 1 64 64 HIS C C 13 175.464 0.1 . 1 . . . . . 64 HIS C . 50811 1 692 . 1 . 1 64 64 HIS CA C 13 54.81 0.015 . 1 . . . . . 64 HIS CA . 50811 1 693 . 1 . 1 64 64 HIS CB C 13 31.598 0.015 . 1 . . . . . 64 HIS CB . 50811 1 694 . 1 . 1 64 64 HIS CD2 C 13 119.174 0.015 . 1 . . . . . 64 HIS CD2 . 50811 1 695 . 1 . 1 64 64 HIS N N 15 119.061 0.05 . 1 . . . . . 64 HIS N . 50811 1 696 . 1 . 1 65 65 LYS H H 1 8.791 0.05 . 1 . . . . . 65 LYS H . 50811 1 697 . 1 . 1 65 65 LYS HA H 1 4.482 0.05 . 1 . . . . . 65 LYS HA . 50811 1 698 . 1 . 1 65 65 LYS HB2 H 1 2.012 0.05 . 1 . . . . . 65 LYS HB2 . 50811 1 699 . 1 . 1 65 65 LYS HB3 H 1 2.012 0.05 . 1 . . . . . 65 LYS HB3 . 50811 1 700 . 1 . 1 65 65 LYS HG2 H 1 1.501 0.05 . 1 . . . . . 65 LYS HG2 . 50811 1 701 . 1 . 1 65 65 LYS HG3 H 1 1.501 0.05 . 1 . . . . . 65 LYS HG3 . 50811 1 702 . 1 . 1 65 65 LYS HD2 H 1 1.695 0.05 . 1 . . . . . 65 LYS HD2 . 50811 1 703 . 1 . 1 65 65 LYS HD3 H 1 1.695 0.05 . 1 . . . . . 65 LYS HD3 . 50811 1 704 . 1 . 1 65 65 LYS HE2 H 1 3.017 0.05 . 1 . . . . . 65 LYS HE2 . 50811 1 705 . 1 . 1 65 65 LYS HE3 H 1 3.017 0.05 . 1 . . . . . 65 LYS HE3 . 50811 1 706 . 1 . 1 65 65 LYS C C 13 176.649 0.1 . 1 . . . . . 65 LYS C . 50811 1 707 . 1 . 1 65 65 LYS CA C 13 57.506 0.015 . 1 . . . . . 65 LYS CA . 50811 1 708 . 1 . 1 65 65 LYS CB C 13 33.526 0.015 . 1 . . . . . 65 LYS CB . 50811 1 709 . 1 . 1 65 65 LYS CG C 13 25.007 0.015 . 1 . . . . . 65 LYS CG . 50811 1 710 . 1 . 1 65 65 LYS CD C 13 28.666 0.015 . 1 . . . . . 65 LYS CD . 50811 1 711 . 1 . 1 65 65 LYS CE C 13 42.281 0.015 . 1 . . . . . 65 LYS CE . 50811 1 712 . 1 . 1 65 65 LYS N N 15 121.966 0.05 . 1 . . . . . 65 LYS N . 50811 1 713 . 1 . 1 66 66 SER H H 1 8.018 0.05 . 1 . . . . . 66 SER H . 50811 1 714 . 1 . 1 66 66 SER HA H 1 5.394 0.05 . 1 . . . . . 66 SER HA . 50811 1 715 . 1 . 1 66 66 SER HB2 H 1 3.827 0.05 . 1 . . . . . 66 SER HB2 . 50811 1 716 . 1 . 1 66 66 SER HB3 H 1 3.827 0.05 . 1 . . . . . 66 SER HB3 . 50811 1 717 . 1 . 1 66 66 SER C C 13 173.34 0.1 . 1 . . . . . 66 SER C . 50811 1 718 . 1 . 1 66 66 SER CA C 13 57.557 0.015 . 1 . . . . . 66 SER CA . 50811 1 719 . 1 . 1 66 66 SER CB C 13 65.261 0.015 . 1 . . . . . 66 SER CB . 50811 1 720 . 1 . 1 66 66 SER N N 15 112.099 0.05 . 1 . . . . . 66 SER N . 50811 1 721 . 1 . 1 67 67 VAL H H 1 8.775 0.05 . 1 . . . . . 67 VAL H . 50811 1 722 . 1 . 1 67 67 VAL HA H 1 4.843 0.05 . 1 . . . . . 67 VAL HA . 50811 1 723 . 1 . 1 67 67 VAL HB H 1 2.198 0.05 . 1 . . . . . 67 VAL HB . 50811 1 724 . 1 . 1 67 67 VAL C C 13 174.311 0.1 . 1 . . . . . 67 VAL C . 50811 1 725 . 1 . 1 67 67 VAL CA C 13 61.314 0.015 . 1 . . . . . 67 VAL CA . 50811 1 726 . 1 . 1 67 67 VAL CB C 13 36.332 0.015 . 1 . . . . . 67 VAL CB . 50811 1 727 . 1 . 1 67 67 VAL N N 15 120.258 0.05 . 1 . . . . . 67 VAL N . 50811 1 728 . 1 . 1 68 68 LYS HA H 1 5.773 0.05 . 1 . . . . . 68 LYS HA . 50811 1 729 . 1 . 1 68 68 LYS HB2 H 1 1.693 0.05 . 1 . . . . . 68 LYS HB2 . 50811 1 730 . 1 . 1 68 68 LYS HB3 H 1 1.693 0.05 . 1 . . . . . 68 LYS HB3 . 50811 1 731 . 1 . 1 68 68 LYS HG2 H 1 1.393 0.05 . 1 . . . . . 68 LYS HG2 . 50811 1 732 . 1 . 1 68 68 LYS HG3 H 1 1.393 0.05 . 1 . . . . . 68 LYS HG3 . 50811 1 733 . 1 . 1 68 68 LYS HD2 H 1 1.53 0.05 . 1 . . . . . 68 LYS HD2 . 50811 1 734 . 1 . 1 68 68 LYS HD3 H 1 1.53 0.05 . 1 . . . . . 68 LYS HD3 . 50811 1 735 . 1 . 1 68 68 LYS HE2 H 1 2.818 0.05 . 1 . . . . . 68 LYS HE2 . 50811 1 736 . 1 . 1 68 68 LYS HE3 H 1 2.818 0.05 . 1 . . . . . 68 LYS HE3 . 50811 1 737 . 1 . 1 68 68 LYS C C 13 175.92 0.1 . 1 . . . . . 68 LYS C . 50811 1 738 . 1 . 1 68 68 LYS CA C 13 54.689 0.015 . 1 . . . . . 68 LYS CA . 50811 1 739 . 1 . 1 68 68 LYS CB C 13 36.534 0.015 . 1 . . . . . 68 LYS CB . 50811 1 740 . 1 . 1 68 68 LYS CG C 13 26.157 0.015 . 1 . . . . . 68 LYS CG . 50811 1 741 . 1 . 1 68 68 LYS CD C 13 29.644 0.015 . 1 . . . . . 68 LYS CD . 50811 1 742 . 1 . 1 68 68 LYS CE C 13 41.667 0.015 . 1 . . . . . 68 LYS CE . 50811 1 743 . 1 . 1 69 69 HIS H H 1 9.252 0.05 . 1 . . . . . 69 HIS H . 50811 1 744 . 1 . 1 69 69 HIS HA H 1 5.922 0.05 . 1 . . . . . 69 HIS HA . 50811 1 745 . 1 . 1 69 69 HIS HD2 H 1 7.066 0.002 . 1 . . . . . 69 HIS HD2 . 50811 1 746 . 1 . 1 69 69 HIS HE1 H 1 7.344 0.05 . 1 . . . . . 69 HIS HE1 . 50811 1 747 . 1 . 1 69 69 HIS C C 13 171.788 0.1 . 1 . . . . . 69 HIS C . 50811 1 748 . 1 . 1 69 69 HIS CA C 13 54.554 0.015 . 1 . . . . . 69 HIS CA . 50811 1 749 . 1 . 1 69 69 HIS CB C 13 36.505 0.015 . 1 . . . . . 69 HIS CB . 50811 1 750 . 1 . 1 69 69 HIS CD2 C 13 120.371 0.015 . 1 . . . . . 69 HIS CD2 . 50811 1 751 . 1 . 1 69 69 HIS CE1 C 13 138.572 0.015 . 1 . . . . . 69 HIS CE1 . 50811 1 752 . 1 . 1 69 69 HIS N N 15 122.282 0.05 . 1 . . . . . 69 HIS N . 50811 1 753 . 1 . 1 70 70 ARG H H 1 9.129 0.05 . 1 . . . . . 70 ARG H . 50811 1 754 . 1 . 1 70 70 ARG HA H 1 5.534 0.05 . 1 . . . . . 70 ARG HA . 50811 1 755 . 1 . 1 70 70 ARG HB2 H 1 1.819 0.05 . 1 . . . . . 70 ARG HB2 . 50811 1 756 . 1 . 1 70 70 ARG HB3 H 1 1.819 0.05 . 1 . . . . . 70 ARG HB3 . 50811 1 757 . 1 . 1 70 70 ARG HG2 H 1 1.379 0.05 . 1 . . . . . 70 ARG HG2 . 50811 1 758 . 1 . 1 70 70 ARG HG3 H 1 1.379 0.05 . 1 . . . . . 70 ARG HG3 . 50811 1 759 . 1 . 1 70 70 ARG HD2 H 1 3.194 0.05 . 1 . . . . . 70 ARG HD2 . 50811 1 760 . 1 . 1 70 70 ARG HD3 H 1 3.194 0.05 . 1 . . . . . 70 ARG HD3 . 50811 1 761 . 1 . 1 70 70 ARG HE H 1 7.752 0.05 . 1 . . . . . 70 ARG HE . 50811 1 762 . 1 . 1 70 70 ARG C C 13 175.894 0.1 . 1 . . . . . 70 ARG C . 50811 1 763 . 1 . 1 70 70 ARG CA C 13 53.175 0.015 . 1 . . . . . 70 ARG CA . 50811 1 764 . 1 . 1 70 70 ARG CB C 13 35.364 0.015 . 1 . . . . . 70 ARG CB . 50811 1 765 . 1 . 1 70 70 ARG CG C 13 27.425 0.015 . 1 . . . . . 70 ARG CG . 50811 1 766 . 1 . 1 70 70 ARG CD C 13 43.623 0.015 . 1 . . . . . 70 ARG CD . 50811 1 767 . 1 . 1 70 70 ARG N N 15 121.112 0.05 . 1 . . . . . 70 ARG N . 50811 1 768 . 1 . 1 70 70 ARG NE N 15 85.468 0.05 . 1 . . . . . 70 ARG NE . 50811 1 769 . 1 . 1 71 71 ILE H H 1 8.881 0.05 . 1 . . . . . 71 ILE H . 50811 1 770 . 1 . 1 71 71 ILE HA H 1 4.182 0.05 . 1 . . . . . 71 ILE HA . 50811 1 771 . 1 . 1 71 71 ILE HB H 1 2.108 0.05 . 1 . . . . . 71 ILE HB . 50811 1 772 . 1 . 1 71 71 ILE HG21 H 1 1.131 0.05 . 1 . . . . . 71 ILE HG21 . 50811 1 773 . 1 . 1 71 71 ILE HG22 H 1 1.131 0.05 . 1 . . . . . 71 ILE HG22 . 50811 1 774 . 1 . 1 71 71 ILE HG23 H 1 1.131 0.05 . 1 . . . . . 71 ILE HG23 . 50811 1 775 . 1 . 1 71 71 ILE HD11 H 1 0.999 0.05 . 1 . . . . . 71 ILE HD11 . 50811 1 776 . 1 . 1 71 71 ILE HD12 H 1 0.999 0.05 . 1 . . . . . 71 ILE HD12 . 50811 1 777 . 1 . 1 71 71 ILE HD13 H 1 0.999 0.05 . 1 . . . . . 71 ILE HD13 . 50811 1 778 . 1 . 1 71 71 ILE C C 13 174.948 0.1 . 1 . . . . . 71 ILE C . 50811 1 779 . 1 . 1 71 71 ILE CA C 13 63.45 0.015 . 1 . . . . . 71 ILE CA . 50811 1 780 . 1 . 1 71 71 ILE CB C 13 37.505 0.015 . 1 . . . . . 71 ILE CB . 50811 1 781 . 1 . 1 71 71 ILE CG1 C 13 27.54 0.015 . 1 . . . . . 71 ILE CG1 . 50811 1 782 . 1 . 1 71 71 ILE CG2 C 13 17.166 0.015 . 1 . . . . . 71 ILE CG2 . 50811 1 783 . 1 . 1 71 71 ILE CD1 C 13 12.429 0.015 . 1 . . . . . 71 ILE CD1 . 50811 1 784 . 1 . 1 71 71 ILE N N 15 124.459 0.05 . 1 . . . . . 71 ILE N . 50811 1 785 . 1 . 1 72 72 ASP H H 1 9.205 0.05 . 1 . . . . . 72 ASP H . 50811 1 786 . 1 . 1 72 72 ASP HA H 1 5.012 0.05 . 1 . . . . . 72 ASP HA . 50811 1 787 . 1 . 1 72 72 ASP HB2 H 1 2.778 0.05 . 2 . . . . . 72 ASP HB2 . 50811 1 788 . 1 . 1 72 72 ASP HB3 H 1 2.137 0.05 . 2 . . . . . 72 ASP HB3 . 50811 1 789 . 1 . 1 72 72 ASP C C 13 176.467 0.1 . 1 . . . . . 72 ASP C . 50811 1 790 . 1 . 1 72 72 ASP CA C 13 54.926 0.015 . 1 . . . . . 72 ASP CA . 50811 1 791 . 1 . 1 72 72 ASP CB C 13 42.986 0.015 . 1 . . . . . 72 ASP CB . 50811 1 792 . 1 . 1 72 72 ASP N N 15 131.124 0.05 . 1 . . . . . 72 ASP N . 50811 1 793 . 1 . 1 73 73 GLY H H 1 8.093 0.05 . 1 . . . . . 73 GLY H . 50811 1 794 . 1 . 1 73 73 GLY HA2 H 1 4.234 0.05 . 2 . . . . . 73 GLY HA2 . 50811 1 795 . 1 . 1 73 73 GLY HA3 H 1 3.821 0.05 . 2 . . . . . 73 GLY HA3 . 50811 1 796 . 1 . 1 73 73 GLY C C 13 170.911 0.1 . 1 . . . . . 73 GLY C . 50811 1 797 . 1 . 1 73 73 GLY CA C 13 46.107 0.015 . 1 . . . . . 73 GLY CA . 50811 1 798 . 1 . 1 73 73 GLY N N 15 109.652 0.05 . 1 . . . . . 73 GLY N . 50811 1 799 . 1 . 1 74 74 LEU H H 1 8.545 0.05 . 1 . . . . . 74 LEU H . 50811 1 800 . 1 . 1 74 74 LEU HA H 1 5.101 0.05 . 1 . . . . . 74 LEU HA . 50811 1 801 . 1 . 1 74 74 LEU HB2 H 1 1.865 0.05 . 1 . . . . . 74 LEU HB2 . 50811 1 802 . 1 . 1 74 74 LEU HB3 H 1 1.865 0.05 . 1 . . . . . 74 LEU HB3 . 50811 1 803 . 1 . 1 74 74 LEU HG H 1 1.814 0.05 . 1 . . . . . 74 LEU HG . 50811 1 804 . 1 . 1 74 74 LEU HD11 H 1 1.052 0.05 . 1 . . . . . 74 LEU HD11 . 50811 1 805 . 1 . 1 74 74 LEU HD12 H 1 1.052 0.05 . 1 . . . . . 74 LEU HD12 . 50811 1 806 . 1 . 1 74 74 LEU HD13 H 1 1.052 0.05 . 1 . . . . . 74 LEU HD13 . 50811 1 807 . 1 . 1 74 74 LEU HD21 H 1 1.052 0.05 . 1 . . . . . 74 LEU HD21 . 50811 1 808 . 1 . 1 74 74 LEU HD22 H 1 1.052 0.05 . 1 . . . . . 74 LEU HD22 . 50811 1 809 . 1 . 1 74 74 LEU HD23 H 1 1.052 0.05 . 1 . . . . . 74 LEU HD23 . 50811 1 810 . 1 . 1 74 74 LEU C C 13 174.157 0.1 . 1 . . . . . 74 LEU C . 50811 1 811 . 1 . 1 74 74 LEU CA C 13 56.923 0.015 . 1 . . . . . 74 LEU CA . 50811 1 812 . 1 . 1 74 74 LEU CB C 13 44.446 0.015 . 1 . . . . . 74 LEU CB . 50811 1 813 . 1 . 1 74 74 LEU CG C 13 28.593 0.015 . 1 . . . . . 74 LEU CG . 50811 1 814 . 1 . 1 74 74 LEU CD1 C 13 25.522 0.015 . 1 . . . . . 74 LEU CD1 . 50811 1 815 . 1 . 1 74 74 LEU CD2 C 13 25.522 0.015 . 1 . . . . . 74 LEU CD2 . 50811 1 816 . 1 . 1 74 74 LEU N N 15 125.603 0.05 . 1 . . . . . 74 LEU N . 50811 1 817 . 1 . 1 75 75 ASP H H 1 9.073 0.05 . 1 . . . . . 75 ASP H . 50811 1 818 . 1 . 1 75 75 ASP HA H 1 5.058 0.05 . 1 . . . . . 75 ASP HA . 50811 1 819 . 1 . 1 75 75 ASP HB2 H 1 3.414 0.05 . 2 . . . . . 75 ASP HB2 . 50811 1 820 . 1 . 1 75 75 ASP HB3 H 1 2.448 0.05 . 2 . . . . . 75 ASP HB3 . 50811 1 821 . 1 . 1 75 75 ASP C C 13 176.549 0.1 . 1 . . . . . 75 ASP C . 50811 1 822 . 1 . 1 75 75 ASP CA C 13 52.734 0.015 . 1 . . . . . 75 ASP CA . 50811 1 823 . 1 . 1 75 75 ASP CB C 13 42.227 0.015 . 1 . . . . . 75 ASP CB . 50811 1 824 . 1 . 1 75 75 ASP N N 15 128.062 0.05 . 1 . . . . . 75 ASP N . 50811 1 825 . 1 . 1 76 76 LYS H H 1 9.081 0.05 . 1 . . . . . 76 LYS H . 50811 1 826 . 1 . 1 76 76 LYS HA H 1 4.203 0.05 . 1 . . . . . 76 LYS HA . 50811 1 827 . 1 . 1 76 76 LYS HB2 H 1 2.016 0.05 . 1 . . . . . 76 LYS HB2 . 50811 1 828 . 1 . 1 76 76 LYS HB3 H 1 2.016 0.05 . 1 . . . . . 76 LYS HB3 . 50811 1 829 . 1 . 1 76 76 LYS HG2 H 1 1.614 0.05 . 1 . . . . . 76 LYS HG2 . 50811 1 830 . 1 . 1 76 76 LYS HG3 H 1 1.614 0.05 . 1 . . . . . 76 LYS HG3 . 50811 1 831 . 1 . 1 76 76 LYS HD2 H 1 1.839 0.05 . 1 . . . . . 76 LYS HD2 . 50811 1 832 . 1 . 1 76 76 LYS HD3 H 1 1.839 0.05 . 1 . . . . . 76 LYS HD3 . 50811 1 833 . 1 . 1 76 76 LYS HE2 H 1 3.03 0.05 . 1 . . . . . 76 LYS HE2 . 50811 1 834 . 1 . 1 76 76 LYS HE3 H 1 3.03 0.05 . 1 . . . . . 76 LYS HE3 . 50811 1 835 . 1 . 1 76 76 LYS C C 13 176.686 0.1 . 1 . . . . . 76 LYS C . 50811 1 836 . 1 . 1 76 76 LYS CA C 13 58.593 0.015 . 1 . . . . . 76 LYS CA . 50811 1 837 . 1 . 1 76 76 LYS CB C 13 32.813 0.015 . 1 . . . . . 76 LYS CB . 50811 1 838 . 1 . 1 76 76 LYS CG C 13 26.125 0.015 . 1 . . . . . 76 LYS CG . 50811 1 839 . 1 . 1 76 76 LYS CD C 13 29.76 0.015 . 1 . . . . . 76 LYS CD . 50811 1 840 . 1 . 1 76 76 LYS CE C 13 41.988 0.015 . 1 . . . . . 76 LYS CE . 50811 1 841 . 1 . 1 76 76 LYS N N 15 123.348 0.05 . 1 . . . . . 76 LYS N . 50811 1 842 . 1 . 1 77 77 GLU H H 1 8.229 0.05 . 1 . . . . . 77 GLU H . 50811 1 843 . 1 . 1 77 77 GLU HA H 1 4.036 0.05 . 1 . . . . . 77 GLU HA . 50811 1 844 . 1 . 1 77 77 GLU HB2 H 1 2.009 0.05 . 1 . . . . . 77 GLU HB2 . 50811 1 845 . 1 . 1 77 77 GLU HB3 H 1 2.009 0.05 . 1 . . . . . 77 GLU HB3 . 50811 1 846 . 1 . 1 77 77 GLU HG2 H 1 2.157 0.05 . 1 . . . . . 77 GLU HG2 . 50811 1 847 . 1 . 1 77 77 GLU HG3 H 1 2.157 0.05 . 1 . . . . . 77 GLU HG3 . 50811 1 848 . 1 . 1 77 77 GLU C C 13 176.84 0.1 . 1 . . . . . 77 GLU C . 50811 1 849 . 1 . 1 77 77 GLU CA C 13 58.11 0.015 . 1 . . . . . 77 GLU CA . 50811 1 850 . 1 . 1 77 77 GLU CB C 13 29.865 0.015 . 1 . . . . . 77 GLU CB . 50811 1 851 . 1 . 1 77 77 GLU CG C 13 36.694 0.015 . 1 . . . . . 77 GLU CG . 50811 1 852 . 1 . 1 77 77 GLU N N 15 117.288 0.05 . 1 . . . . . 77 GLU N . 50811 1 853 . 1 . 1 78 78 ASN H H 1 7.45 0.05 . 1 . . . . . 78 ASN H . 50811 1 854 . 1 . 1 78 78 ASN HA H 1 4.361 0.05 . 1 . . . . . 78 ASN HA . 50811 1 855 . 1 . 1 78 78 ASN HB2 H 1 2.247 0.05 . 2 . . . . . 78 ASN HB2 . 50811 1 856 . 1 . 1 78 78 ASN HB3 H 1 2.681 0.05 . 2 . . . . . 78 ASN HB3 . 50811 1 857 . 1 . 1 78 78 ASN HD21 H 1 6.965 0.05 . 1 . . . . . 78 ASN HD21 . 50811 1 858 . 1 . 1 78 78 ASN HD22 H 1 8.494 0.05 . 1 . . . . . 78 ASN HD22 . 50811 1 859 . 1 . 1 78 78 ASN C C 13 173.323 0.1 . 1 . . . . . 78 ASN C . 50811 1 860 . 1 . 1 78 78 ASN CA C 13 52.319 0.015 . 1 . . . . . 78 ASN CA . 50811 1 861 . 1 . 1 78 78 ASN CB C 13 39.499 0.015 . 1 . . . . . 78 ASN CB . 50811 1 862 . 1 . 1 78 78 ASN CG C 13 177.135 0.015 . 1 . . . . . 78 ASN CG . 50811 1 863 . 1 . 1 78 78 ASN N N 15 113.825 0.05 . 1 . . . . . 78 ASN N . 50811 1 864 . 1 . 1 78 78 ASN ND2 N 15 117.187 0.006 . 1 . . . . . 78 ASN ND2 . 50811 1 865 . 1 . 1 79 79 PHE H H 1 7.097 0.05 . 1 . . . . . 79 PHE H . 50811 1 866 . 1 . 1 79 79 PHE HA H 1 3.891 0.05 . 1 . . . . . 79 PHE HA . 50811 1 867 . 1 . 1 79 79 PHE HB2 H 1 2.801 0.05 . 1 . . . . . 79 PHE HB2 . 50811 1 868 . 1 . 1 79 79 PHE HB3 H 1 2.801 0.05 . 1 . . . . . 79 PHE HB3 . 50811 1 869 . 1 . 1 79 79 PHE HD1 H 1 6.635 0.05 . 3 . . . . . 79 PHE HD1 . 50811 1 870 . 1 . 1 79 79 PHE HD2 H 1 6.635 0.05 . 3 . . . . . 79 PHE HD2 . 50811 1 871 . 1 . 1 79 79 PHE HE1 H 1 7.231 0.001 . 3 . . . . . 79 PHE HE1 . 50811 1 872 . 1 . 1 79 79 PHE HE2 H 1 7.231 0.001 . 3 . . . . . 79 PHE HE2 . 50811 1 873 . 1 . 1 79 79 PHE C C 13 174.466 0.1 . 1 . . . . . 79 PHE C . 50811 1 874 . 1 . 1 79 79 PHE CA C 13 55.041 0.015 . 1 . . . . . 79 PHE CA . 50811 1 875 . 1 . 1 79 79 PHE CB C 13 35.193 0.015 . 1 . . . . . 79 PHE CB . 50811 1 876 . 1 . 1 79 79 PHE CD1 C 13 130.587 0.015 . 3 . . . . . 79 PHE CD1 . 50811 1 877 . 1 . 1 79 79 PHE CD2 C 13 130.587 0.015 . 3 . . . . . 79 PHE CD2 . 50811 1 878 . 1 . 1 79 79 PHE CE1 C 13 130.99 0.015 . 3 . . . . . 79 PHE CE1 . 50811 1 879 . 1 . 1 79 79 PHE CE2 C 13 130.99 0.015 . 3 . . . . . 79 PHE CE2 . 50811 1 880 . 1 . 1 79 79 PHE N N 15 116.521 0.05 . 1 . . . . . 79 PHE N . 50811 1 881 . 1 . 1 80 80 THR H H 1 8.038 0.05 . 1 . . . . . 80 THR H . 50811 1 882 . 1 . 1 80 80 THR HA H 1 5.72 0.05 . 1 . . . . . 80 THR HA . 50811 1 883 . 1 . 1 80 80 THR HB H 1 4.357 0.05 . 1 . . . . . 80 THR HB . 50811 1 884 . 1 . 1 80 80 THR HG21 H 1 1.186 0.05 . 1 . . . . . 80 THR HG21 . 50811 1 885 . 1 . 1 80 80 THR HG22 H 1 1.186 0.05 . 1 . . . . . 80 THR HG22 . 50811 1 886 . 1 . 1 80 80 THR HG23 H 1 1.186 0.05 . 1 . . . . . 80 THR HG23 . 50811 1 887 . 1 . 1 80 80 THR C C 13 173.846 0.1 . 1 . . . . . 80 THR C . 50811 1 888 . 1 . 1 80 80 THR CA C 13 59.672 0.015 . 1 . . . . . 80 THR CA . 50811 1 889 . 1 . 1 80 80 THR CB C 13 71.559 0.015 . 1 . . . . . 80 THR CB . 50811 1 890 . 1 . 1 80 80 THR CG2 C 13 21.819 0.015 . 1 . . . . . 80 THR CG2 . 50811 1 891 . 1 . 1 80 80 THR N N 15 107.527 0.05 . 1 . . . . . 80 THR N . 50811 1 892 . 1 . 1 81 81 TYR H H 1 8.985 0.05 . 1 . . . . . 81 TYR H . 50811 1 893 . 1 . 1 81 81 TYR HA H 1 5.521 0.05 . 1 . . . . . 81 TYR HA . 50811 1 894 . 1 . 1 81 81 TYR HB2 H 1 2.657 0.05 . 1 . . . . . 81 TYR HB2 . 50811 1 895 . 1 . 1 81 81 TYR HB3 H 1 2.657 0.05 . 1 . . . . . 81 TYR HB3 . 50811 1 896 . 1 . 1 81 81 TYR HD1 H 1 7.209 0.05 . 3 . . . . . 81 TYR HD1 . 50811 1 897 . 1 . 1 81 81 TYR HD2 H 1 7.209 0.05 . 3 . . . . . 81 TYR HD2 . 50811 1 898 . 1 . 1 81 81 TYR HE1 H 1 6.552 0.002 . 3 . . . . . 81 TYR HE1 . 50811 1 899 . 1 . 1 81 81 TYR HE2 H 1 6.552 0.002 . 3 . . . . . 81 TYR HE2 . 50811 1 900 . 1 . 1 81 81 TYR C C 13 172.979 0.1 . 1 . . . . . 81 TYR C . 50811 1 901 . 1 . 1 81 81 TYR CA C 13 55.435 0.015 . 1 . . . . . 81 TYR CA . 50811 1 902 . 1 . 1 81 81 TYR CB C 13 43.578 0.015 . 1 . . . . . 81 TYR CB . 50811 1 903 . 1 . 1 81 81 TYR CD1 C 13 132.918 0.015 . 3 . . . . . 81 TYR CD1 . 50811 1 904 . 1 . 1 81 81 TYR CD2 C 13 132.918 0.015 . 3 . . . . . 81 TYR CD2 . 50811 1 905 . 1 . 1 81 81 TYR CE1 C 13 118.25 0.015 . 3 . . . . . 81 TYR CE1 . 50811 1 906 . 1 . 1 81 81 TYR CE2 C 13 118.25 0.015 . 3 . . . . . 81 TYR CE2 . 50811 1 907 . 1 . 1 81 81 TYR N N 15 124.53 0.05 . 1 . . . . . 81 TYR N . 50811 1 908 . 1 . 1 82 82 SER H H 1 9.096 0.05 . 1 . . . . . 82 SER H . 50811 1 909 . 1 . 1 82 82 SER HA H 1 5.481 0.05 . 1 . . . . . 82 SER HA . 50811 1 910 . 1 . 1 82 82 SER HB2 H 1 3.894 0.05 . 1 . . . . . 82 SER HB2 . 50811 1 911 . 1 . 1 82 82 SER HB3 H 1 3.894 0.05 . 1 . . . . . 82 SER HB3 . 50811 1 912 . 1 . 1 82 82 SER C C 13 173.171 0.1 . 1 . . . . . 82 SER C . 50811 1 913 . 1 . 1 82 82 SER CA C 13 56.395 0.015 . 1 . . . . . 82 SER CA . 50811 1 914 . 1 . 1 82 82 SER CB C 13 65.653 0.015 . 1 . . . . . 82 SER CB . 50811 1 915 . 1 . 1 82 82 SER N N 15 122.824 0.05 . 1 . . . . . 82 SER N . 50811 1 916 . 1 . 1 83 83 TYR H H 1 8.735 0.05 . 1 . . . . . 83 TYR H . 50811 1 917 . 1 . 1 83 83 TYR HA H 1 5.434 0.05 . 1 . . . . . 83 TYR HA . 50811 1 918 . 1 . 1 83 83 TYR HB2 H 1 2.812 0.05 . 1 . . . . . 83 TYR HB2 . 50811 1 919 . 1 . 1 83 83 TYR HB3 H 1 2.812 0.05 . 1 . . . . . 83 TYR HB3 . 50811 1 920 . 1 . 1 83 83 TYR HD1 H 1 6.138 0.003 . 3 . . . . . 83 TYR HD1 . 50811 1 921 . 1 . 1 83 83 TYR HD2 H 1 6.138 0.003 . 3 . . . . . 83 TYR HD2 . 50811 1 922 . 1 . 1 83 83 TYR HE1 H 1 6.16 0.001 . 3 . . . . . 83 TYR HE1 . 50811 1 923 . 1 . 1 83 83 TYR HE2 H 1 6.16 0.001 . 3 . . . . . 83 TYR HE2 . 50811 1 924 . 1 . 1 83 83 TYR C C 13 172.272 0.1 . 1 . . . . . 83 TYR C . 50811 1 925 . 1 . 1 83 83 TYR CA C 13 56.559 0.015 . 1 . . . . . 83 TYR CA . 50811 1 926 . 1 . 1 83 83 TYR CB C 13 41.063 0.015 . 1 . . . . . 83 TYR CB . 50811 1 927 . 1 . 1 83 83 TYR CD1 C 13 133.131 0.015 . 3 . . . . . 83 TYR CD1 . 50811 1 928 . 1 . 1 83 83 TYR CD2 C 13 133.131 0.015 . 3 . . . . . 83 TYR CD2 . 50811 1 929 . 1 . 1 83 83 TYR CE1 C 13 117.811 0.015 . 3 . . . . . 83 TYR CE1 . 50811 1 930 . 1 . 1 83 83 TYR CE2 C 13 117.811 0.015 . 3 . . . . . 83 TYR CE2 . 50811 1 931 . 1 . 1 83 83 TYR N N 15 120.51 0.05 . 1 . . . . . 83 TYR N . 50811 1 932 . 1 . 1 84 84 SER H H 1 8.821 0.05 . 1 . . . . . 84 SER H . 50811 1 933 . 1 . 1 84 84 SER HA H 1 5.245 0.05 . 1 . . . . . 84 SER HA . 50811 1 934 . 1 . 1 84 84 SER HB2 H 1 3.763 0.05 . 1 . . . . . 84 SER HB2 . 50811 1 935 . 1 . 1 84 84 SER HB3 H 1 3.763 0.05 . 1 . . . . . 84 SER HB3 . 50811 1 936 . 1 . 1 84 84 SER C C 13 174.348 0.1 . 1 . . . . . 84 SER C . 50811 1 937 . 1 . 1 84 84 SER CA C 13 56.945 0.015 . 1 . . . . . 84 SER CA . 50811 1 938 . 1 . 1 84 84 SER CB C 13 65.687 0.015 . 1 . . . . . 84 SER CB . 50811 1 939 . 1 . 1 84 84 SER N N 15 113.723 0.05 . 1 . . . . . 84 SER N . 50811 1 940 . 1 . 1 85 85 ILE H H 1 8.163 0.05 . 1 . . . . . 85 ILE H . 50811 1 941 . 1 . 1 85 85 ILE HA H 1 4.531 0.05 . 1 . . . . . 85 ILE HA . 50811 1 942 . 1 . 1 85 85 ILE HB H 1 2.052 0.05 . 1 . . . . . 85 ILE HB . 50811 1 943 . 1 . 1 85 85 ILE HG12 H 1 1.475 0.05 . 1 . . . . . 85 ILE HG12 . 50811 1 944 . 1 . 1 85 85 ILE HG13 H 1 1.475 0.05 . 1 . . . . . 85 ILE HG13 . 50811 1 945 . 1 . 1 85 85 ILE HG21 H 1 1.049 0.05 . 1 . . . . . 85 ILE HG21 . 50811 1 946 . 1 . 1 85 85 ILE HG22 H 1 1.049 0.05 . 1 . . . . . 85 ILE HG22 . 50811 1 947 . 1 . 1 85 85 ILE HG23 H 1 1.049 0.05 . 1 . . . . . 85 ILE HG23 . 50811 1 948 . 1 . 1 85 85 ILE C C 13 176.011 0.1 . 1 . . . . . 85 ILE C . 50811 1 949 . 1 . 1 85 85 ILE CA C 13 60.579 0.015 . 1 . . . . . 85 ILE CA . 50811 1 950 . 1 . 1 85 85 ILE CB C 13 36.717 0.015 . 1 . . . . . 85 ILE CB . 50811 1 951 . 1 . 1 85 85 ILE CG1 C 13 29.194 0.015 . 1 . . . . . 85 ILE CG1 . 50811 1 952 . 1 . 1 85 85 ILE CG2 C 13 17.734 0.015 . 1 . . . . . 85 ILE CG2 . 50811 1 953 . 1 . 1 85 85 ILE N N 15 122.385 0.05 . 1 . . . . . 85 ILE N . 50811 1 954 . 1 . 1 86 86 ILE H H 1 8.752 0.05 . 1 . . . . . 86 ILE H . 50811 1 955 . 1 . 1 86 86 ILE HB H 1 1.998 0.05 . 1 . . . . . 86 ILE HB . 50811 1 956 . 1 . 1 86 86 ILE HG12 H 1 1.224 0.05 . 1 . . . . . 86 ILE HG12 . 50811 1 957 . 1 . 1 86 86 ILE HG13 H 1 1.224 0.05 . 1 . . . . . 86 ILE HG13 . 50811 1 958 . 1 . 1 86 86 ILE HG21 H 1 0.888 0.05 . 1 . . . . . 86 ILE HG21 . 50811 1 959 . 1 . 1 86 86 ILE HG22 H 1 0.888 0.05 . 1 . . . . . 86 ILE HG22 . 50811 1 960 . 1 . 1 86 86 ILE HG23 H 1 0.888 0.05 . 1 . . . . . 86 ILE HG23 . 50811 1 961 . 1 . 1 86 86 ILE HD11 H 1 0.851 0.05 . 1 . . . . . 86 ILE HD11 . 50811 1 962 . 1 . 1 86 86 ILE HD12 H 1 0.851 0.05 . 1 . . . . . 86 ILE HD12 . 50811 1 963 . 1 . 1 86 86 ILE HD13 H 1 0.851 0.05 . 1 . . . . . 86 ILE HD13 . 50811 1 964 . 1 . 1 86 86 ILE C C 13 176.111 0.1 . 1 . . . . . 86 ILE C . 50811 1 965 . 1 . 1 86 86 ILE CA C 13 60.683 0.015 . 1 . . . . . 86 ILE CA . 50811 1 966 . 1 . 1 86 86 ILE CB C 13 39.976 0.015 . 1 . . . . . 86 ILE CB . 50811 1 967 . 1 . 1 86 86 ILE CG1 C 13 26.783 0.015 . 1 . . . . . 86 ILE CG1 . 50811 1 968 . 1 . 1 86 86 ILE CG2 C 13 18.156 0.015 . 1 . . . . . 86 ILE CG2 . 50811 1 969 . 1 . 1 86 86 ILE CD1 C 13 13.722 0.015 . 1 . . . . . 86 ILE CD1 . 50811 1 970 . 1 . 1 86 86 ILE N N 15 119.483 0.05 . 1 . . . . . 86 ILE N . 50811 1 971 . 1 . 1 87 87 GLU H H 1 7.695 0.05 . 1 . . . . . 87 GLU H . 50811 1 972 . 1 . 1 87 87 GLU HA H 1 4.357 0.05 . 1 . . . . . 87 GLU HA . 50811 1 973 . 1 . 1 87 87 GLU HB2 H 1 1.894 0.05 . 1 . . . . . 87 GLU HB2 . 50811 1 974 . 1 . 1 87 87 GLU HB3 H 1 1.894 0.05 . 1 . . . . . 87 GLU HB3 . 50811 1 975 . 1 . 1 87 87 GLU HG2 H 1 2.263 0.05 . 1 . . . . . 87 GLU HG2 . 50811 1 976 . 1 . 1 87 87 GLU HG3 H 1 2.263 0.05 . 1 . . . . . 87 GLU HG3 . 50811 1 977 . 1 . 1 87 87 GLU C C 13 174.267 0.1 . 1 . . . . . 87 GLU C . 50811 1 978 . 1 . 1 87 87 GLU CA C 13 57.644 0.015 . 1 . . . . . 87 GLU CA . 50811 1 979 . 1 . 1 87 87 GLU CB C 13 34.453 0.015 . 1 . . . . . 87 GLU CB . 50811 1 980 . 1 . 1 87 87 GLU CG C 13 37.118 0.015 . 1 . . . . . 87 GLU CG . 50811 1 981 . 1 . 1 87 87 GLU N N 15 122.334 0.05 . 1 . . . . . 87 GLU N . 50811 1 982 . 1 . 1 88 88 GLY H H 1 8.939 0.05 . 1 . . . . . 88 GLY H . 50811 1 983 . 1 . 1 88 88 GLY HA2 H 1 3.895 0.05 . 2 . . . . . 88 GLY HA2 . 50811 1 984 . 1 . 1 88 88 GLY HA3 H 1 4.485 0.05 . 2 . . . . . 88 GLY HA3 . 50811 1 985 . 1 . 1 88 88 GLY C C 13 173.475 0.1 . 1 . . . . . 88 GLY C . 50811 1 986 . 1 . 1 88 88 GLY CA C 13 44.749 0.015 . 1 . . . . . 88 GLY CA . 50811 1 987 . 1 . 1 88 88 GLY N N 15 113.293 0.05 . 1 . . . . . 88 GLY N . 50811 1 988 . 1 . 1 89 89 GLY H H 1 8.245 0.05 . 1 . . . . . 89 GLY H . 50811 1 989 . 1 . 1 89 89 GLY HA2 H 1 3.252 0.05 . 2 . . . . . 89 GLY HA2 . 50811 1 990 . 1 . 1 89 89 GLY HA3 H 1 3.662 0.05 . 2 . . . . . 89 GLY HA3 . 50811 1 991 . 1 . 1 89 89 GLY C C 13 174.829 0.1 . 1 . . . . . 89 GLY C . 50811 1 992 . 1 . 1 89 89 GLY CA C 13 46.493 0.015 . 1 . . . . . 89 GLY CA . 50811 1 993 . 1 . 1 89 89 GLY N N 15 104.73 0.05 . 1 . . . . . 89 GLY N . 50811 1 994 . 1 . 1 90 90 ALA H H 1 8.273 0.05 . 1 . . . . . 90 ALA H . 50811 1 995 . 1 . 1 90 90 ALA HB1 H 1 1.616 0.05 . 1 . . . . . 90 ALA HB1 . 50811 1 996 . 1 . 1 90 90 ALA HB2 H 1 1.616 0.05 . 1 . . . . . 90 ALA HB2 . 50811 1 997 . 1 . 1 90 90 ALA HB3 H 1 1.616 0.05 . 1 . . . . . 90 ALA HB3 . 50811 1 998 . 1 . 1 90 90 ALA C C 13 178.011 0.1 . 1 . . . . . 90 ALA C . 50811 1 999 . 1 . 1 90 90 ALA CA C 13 53.068 0.015 . 1 . . . . . 90 ALA CA . 50811 1 1000 . 1 . 1 90 90 ALA CB C 13 18.013 0.015 . 1 . . . . . 90 ALA CB . 50811 1 1001 . 1 . 1 90 90 ALA N N 15 124.143 0.05 . 1 . . . . . 90 ALA N . 50811 1 1002 . 1 . 1 91 91 LEU H H 1 7.664 0.05 . 1 . . . . . 91 LEU H . 50811 1 1003 . 1 . 1 91 91 LEU HA H 1 5.013 0.05 . 1 . . . . . 91 LEU HA . 50811 1 1004 . 1 . 1 91 91 LEU HB2 H 1 1.897 0.05 . 1 . . . . . 91 LEU HB2 . 50811 1 1005 . 1 . 1 91 91 LEU HB3 H 1 1.897 0.05 . 1 . . . . . 91 LEU HB3 . 50811 1 1006 . 1 . 1 91 91 LEU HD11 H 1 0.79 0.05 . 1 . . . . . 91 LEU HD11 . 50811 1 1007 . 1 . 1 91 91 LEU HD12 H 1 0.79 0.05 . 1 . . . . . 91 LEU HD12 . 50811 1 1008 . 1 . 1 91 91 LEU HD13 H 1 0.79 0.05 . 1 . . . . . 91 LEU HD13 . 50811 1 1009 . 1 . 1 91 91 LEU HD21 H 1 0.79 0.05 . 1 . . . . . 91 LEU HD21 . 50811 1 1010 . 1 . 1 91 91 LEU HD22 H 1 0.79 0.05 . 1 . . . . . 91 LEU HD22 . 50811 1 1011 . 1 . 1 91 91 LEU HD23 H 1 0.79 0.05 . 1 . . . . . 91 LEU HD23 . 50811 1 1012 . 1 . 1 91 91 LEU C C 13 176.705 0.1 . 1 . . . . . 91 LEU C . 50811 1 1013 . 1 . 1 91 91 LEU CA C 13 55.815 0.015 . 1 . . . . . 91 LEU CA . 50811 1 1014 . 1 . 1 91 91 LEU CB C 13 39.756 0.015 . 1 . . . . . 91 LEU CB . 50811 1 1015 . 1 . 1 91 91 LEU CG C 13 25.624 0.015 . 1 . . . . . 91 LEU CG . 50811 1 1016 . 1 . 1 91 91 LEU CD1 C 13 21.885 0.015 . 1 . . . . . 91 LEU CD1 . 50811 1 1017 . 1 . 1 91 91 LEU CD2 C 13 21.885 0.015 . 1 . . . . . 91 LEU CD2 . 50811 1 1018 . 1 . 1 91 91 LEU N N 15 118.598 0.05 . 1 . . . . . 91 LEU N . 50811 1 1019 . 1 . 1 92 92 ASP H H 1 8.289 0.05 . 1 . . . . . 92 ASP H . 50811 1 1020 . 1 . 1 92 92 ASP HA H 1 4.397 0.05 . 1 . . . . . 92 ASP HA . 50811 1 1021 . 1 . 1 92 92 ASP HB2 H 1 2.753 0.05 . 1 . . . . . 92 ASP HB2 . 50811 1 1022 . 1 . 1 92 92 ASP HB3 H 1 2.753 0.05 . 1 . . . . . 92 ASP HB3 . 50811 1 1023 . 1 . 1 92 92 ASP C C 13 178.122 0.1 . 1 . . . . . 92 ASP C . 50811 1 1024 . 1 . 1 92 92 ASP CA C 13 56.075 0.015 . 1 . . . . . 92 ASP CA . 50811 1 1025 . 1 . 1 92 92 ASP CB C 13 39.378 0.015 . 1 . . . . . 92 ASP CB . 50811 1 1026 . 1 . 1 92 92 ASP N N 15 117.009 0.05 . 1 . . . . . 92 ASP N . 50811 1 1027 . 1 . 1 93 93 VAL H H 1 7.671 0.05 . 1 . . . . . 93 VAL H . 50811 1 1028 . 1 . 1 93 93 VAL HA H 1 4.118 0.05 . 1 . . . . . 93 VAL HA . 50811 1 1029 . 1 . 1 93 93 VAL HB H 1 1.832 0.05 . 1 . . . . . 93 VAL HB . 50811 1 1030 . 1 . 1 93 93 VAL HG11 H 1 0.542 0.05 . 2 . . . . . 93 VAL HG11 . 50811 1 1031 . 1 . 1 93 93 VAL HG12 H 1 0.542 0.05 . 2 . . . . . 93 VAL HG12 . 50811 1 1032 . 1 . 1 93 93 VAL HG13 H 1 0.542 0.05 . 2 . . . . . 93 VAL HG13 . 50811 1 1033 . 1 . 1 93 93 VAL HG21 H 1 0.412 0.05 . 2 . . . . . 93 VAL HG21 . 50811 1 1034 . 1 . 1 93 93 VAL HG22 H 1 0.412 0.05 . 2 . . . . . 93 VAL HG22 . 50811 1 1035 . 1 . 1 93 93 VAL HG23 H 1 0.412 0.05 . 2 . . . . . 93 VAL HG23 . 50811 1 1036 . 1 . 1 93 93 VAL C C 13 174.461 0.1 . 1 . . . . . 93 VAL C . 50811 1 1037 . 1 . 1 93 93 VAL CA C 13 62.27 0.015 . 1 . . . . . 93 VAL CA . 50811 1 1038 . 1 . 1 93 93 VAL CB C 13 33.593 0.015 . 1 . . . . . 93 VAL CB . 50811 1 1039 . 1 . 1 93 93 VAL CG1 C 13 21.337 0.015 . 2 . . . . . 93 VAL CG1 . 50811 1 1040 . 1 . 1 93 93 VAL CG2 C 13 19.867 0.015 . 2 . . . . . 93 VAL CG2 . 50811 1 1041 . 1 . 1 93 93 VAL N N 15 115.883 0.05 . 1 . . . . . 93 VAL N . 50811 1 1042 . 1 . 1 94 94 PHE H H 1 7.993 0.05 . 1 . . . . . 94 PHE H . 50811 1 1043 . 1 . 1 94 94 PHE HA H 1 4.937 0.05 . 1 . . . . . 94 PHE HA . 50811 1 1044 . 1 . 1 94 94 PHE HB2 H 1 3.256 0.05 . 2 . . . . . 94 PHE HB2 . 50811 1 1045 . 1 . 1 94 94 PHE HB3 H 1 2.567 0.05 . 2 . . . . . 94 PHE HB3 . 50811 1 1046 . 1 . 1 94 94 PHE HD1 H 1 7.322 0.001 . 3 . . . . . 94 PHE HD1 . 50811 1 1047 . 1 . 1 94 94 PHE HD2 H 1 7.322 0.001 . 3 . . . . . 94 PHE HD2 . 50811 1 1048 . 1 . 1 94 94 PHE HE1 H 1 7.332 0.05 . 3 . . . . . 94 PHE HE1 . 50811 1 1049 . 1 . 1 94 94 PHE HE2 H 1 7.332 0.05 . 3 . . . . . 94 PHE HE2 . 50811 1 1050 . 1 . 1 94 94 PHE C C 13 174.195 0.1 . 1 . . . . . 94 PHE C . 50811 1 1051 . 1 . 1 94 94 PHE CA C 13 57.122 0.015 . 1 . . . . . 94 PHE CA . 50811 1 1052 . 1 . 1 94 94 PHE CB C 13 40.456 0.015 . 1 . . . . . 94 PHE CB . 50811 1 1053 . 1 . 1 94 94 PHE CD1 C 13 132.325 0.015 . 3 . . . . . 94 PHE CD1 . 50811 1 1054 . 1 . 1 94 94 PHE CD2 C 13 132.325 0.015 . 3 . . . . . 94 PHE CD2 . 50811 1 1055 . 1 . 1 94 94 PHE CE1 C 13 131.396 0.015 . 3 . . . . . 94 PHE CE1 . 50811 1 1056 . 1 . 1 94 94 PHE CE2 C 13 131.396 0.015 . 3 . . . . . 94 PHE CE2 . 50811 1 1057 . 1 . 1 94 94 PHE N N 15 118.769 0.05 . 1 . . . . . 94 PHE N . 50811 1 1058 . 1 . 1 95 95 GLU H H 1 8.952 0.05 . 1 . . . . . 95 GLU H . 50811 1 1059 . 1 . 1 95 95 GLU HA H 1 4.161 0.05 . 1 . . . . . 95 GLU HA . 50811 1 1060 . 1 . 1 95 95 GLU HB2 H 1 1.904 0.05 . 1 . . . . . 95 GLU HB2 . 50811 1 1061 . 1 . 1 95 95 GLU HB3 H 1 1.904 0.05 . 1 . . . . . 95 GLU HB3 . 50811 1 1062 . 1 . 1 95 95 GLU HG2 H 1 2.254 0.05 . 1 . . . . . 95 GLU HG2 . 50811 1 1063 . 1 . 1 95 95 GLU HG3 H 1 2.254 0.05 . 1 . . . . . 95 GLU HG3 . 50811 1 1064 . 1 . 1 95 95 GLU C C 13 177.013 0.1 . 1 . . . . . 95 GLU C . 50811 1 1065 . 1 . 1 95 95 GLU CA C 13 57.551 0.015 . 1 . . . . . 95 GLU CA . 50811 1 1066 . 1 . 1 95 95 GLU CB C 13 31.17 0.015 . 1 . . . . . 95 GLU CB . 50811 1 1067 . 1 . 1 95 95 GLU CG C 13 36.015 0.015 . 1 . . . . . 95 GLU CG . 50811 1 1068 . 1 . 1 95 95 GLU N N 15 121.001 0.05 . 1 . . . . . 95 GLU N . 50811 1 1069 . 1 . 1 96 96 SER H H 1 7.504 0.05 . 1 . . . . . 96 SER H . 50811 1 1070 . 1 . 1 96 96 SER HA H 1 4.65 0.05 . 1 . . . . . 96 SER HA . 50811 1 1071 . 1 . 1 96 96 SER HB2 H 1 3.817 0.05 . 1 . . . . . 96 SER HB2 . 50811 1 1072 . 1 . 1 96 96 SER HB3 H 1 3.817 0.05 . 1 . . . . . 96 SER HB3 . 50811 1 1073 . 1 . 1 96 96 SER C C 13 172.502 0.1 . 1 . . . . . 96 SER C . 50811 1 1074 . 1 . 1 96 96 SER CA C 13 57.036 0.015 . 1 . . . . . 96 SER CA . 50811 1 1075 . 1 . 1 96 96 SER CB C 13 65.165 0.015 . 1 . . . . . 96 SER CB . 50811 1 1076 . 1 . 1 96 96 SER N N 15 107.882 0.05 . 1 . . . . . 96 SER N . 50811 1 1077 . 1 . 1 97 97 ILE H H 1 8.542 0.05 . 1 . . . . . 97 ILE H . 50811 1 1078 . 1 . 1 97 97 ILE HA H 1 4.477 0.05 . 1 . . . . . 97 ILE HA . 50811 1 1079 . 1 . 1 97 97 ILE HB H 1 1.363 0.05 . 1 . . . . . 97 ILE HB . 50811 1 1080 . 1 . 1 97 97 ILE HG12 H 1 1.181 0.05 . 1 . . . . . 97 ILE HG12 . 50811 1 1081 . 1 . 1 97 97 ILE HG13 H 1 1.181 0.05 . 1 . . . . . 97 ILE HG13 . 50811 1 1082 . 1 . 1 97 97 ILE HG21 H 1 0.146 0.05 . 1 . . . . . 97 ILE HG21 . 50811 1 1083 . 1 . 1 97 97 ILE HG22 H 1 0.146 0.05 . 1 . . . . . 97 ILE HG22 . 50811 1 1084 . 1 . 1 97 97 ILE HG23 H 1 0.146 0.05 . 1 . . . . . 97 ILE HG23 . 50811 1 1085 . 1 . 1 97 97 ILE HD11 H 1 0.573 0.05 . 1 . . . . . 97 ILE HD11 . 50811 1 1086 . 1 . 1 97 97 ILE HD12 H 1 0.573 0.05 . 1 . . . . . 97 ILE HD12 . 50811 1 1087 . 1 . 1 97 97 ILE HD13 H 1 0.573 0.05 . 1 . . . . . 97 ILE HD13 . 50811 1 1088 . 1 . 1 97 97 ILE C C 13 173.54 0.1 . 1 . . . . . 97 ILE C . 50811 1 1089 . 1 . 1 97 97 ILE CA C 13 61.491 0.015 . 1 . . . . . 97 ILE CA . 50811 1 1090 . 1 . 1 97 97 ILE CB C 13 41.914 0.015 . 1 . . . . . 97 ILE CB . 50811 1 1091 . 1 . 1 97 97 ILE CG1 C 13 27.43 0.015 . 1 . . . . . 97 ILE CG1 . 50811 1 1092 . 1 . 1 97 97 ILE CG2 C 13 16.01 0.015 . 1 . . . . . 97 ILE CG2 . 50811 1 1093 . 1 . 1 97 97 ILE CD1 C 13 14.986 0.015 . 1 . . . . . 97 ILE CD1 . 50811 1 1094 . 1 . 1 97 97 ILE N N 15 121.465 0.05 . 1 . . . . . 97 ILE N . 50811 1 1095 . 1 . 1 98 98 SER H H 1 8.279 0.05 . 1 . . . . . 98 SER H . 50811 1 1096 . 1 . 1 98 98 SER HA H 1 4.793 0.05 . 1 . . . . . 98 SER HA . 50811 1 1097 . 1 . 1 98 98 SER HB2 H 1 3.459 0.05 . 2 . . . . . 98 SER HB2 . 50811 1 1098 . 1 . 1 98 98 SER HB3 H 1 3.678 0.05 . 2 . . . . . 98 SER HB3 . 50811 1 1099 . 1 . 1 98 98 SER C C 13 170.629 0.1 . 1 . . . . . 98 SER C . 50811 1 1100 . 1 . 1 98 98 SER CA C 13 56.568 0.015 . 1 . . . . . 98 SER CA . 50811 1 1101 . 1 . 1 98 98 SER CB C 13 66.361 0.015 . 1 . . . . . 98 SER CB . 50811 1 1102 . 1 . 1 98 98 SER N N 15 120.749 0.05 . 1 . . . . . 98 SER N . 50811 1 1103 . 1 . 1 99 99 TYR H H 1 8.489 0.05 . 1 . . . . . 99 TYR H . 50811 1 1104 . 1 . 1 99 99 TYR HA H 1 5.105 0.05 . 1 . . . . . 99 TYR HA . 50811 1 1105 . 1 . 1 99 99 TYR HB2 H 1 1.483 0.05 . 2 . . . . . 99 TYR HB2 . 50811 1 1106 . 1 . 1 99 99 TYR HB3 H 1 2.392 0.05 . 2 . . . . . 99 TYR HB3 . 50811 1 1107 . 1 . 1 99 99 TYR HD1 H 1 6.567 0.001 . 3 . . . . . 99 TYR HD1 . 50811 1 1108 . 1 . 1 99 99 TYR HD2 H 1 6.567 0.001 . 3 . . . . . 99 TYR HD2 . 50811 1 1109 . 1 . 1 99 99 TYR HE1 H 1 6.506 0.05 . 3 . . . . . 99 TYR HE1 . 50811 1 1110 . 1 . 1 99 99 TYR HE2 H 1 6.506 0.05 . 3 . . . . . 99 TYR HE2 . 50811 1 1111 . 1 . 1 99 99 TYR C C 13 174.942 0.1 . 1 . . . . . 99 TYR C . 50811 1 1112 . 1 . 1 99 99 TYR CA C 13 56.401 0.015 . 1 . . . . . 99 TYR CA . 50811 1 1113 . 1 . 1 99 99 TYR CB C 13 41.781 0.015 . 1 . . . . . 99 TYR CB . 50811 1 1114 . 1 . 1 99 99 TYR CD1 C 13 133.903 0.015 . 3 . . . . . 99 TYR CD1 . 50811 1 1115 . 1 . 1 99 99 TYR CD2 C 13 133.903 0.015 . 3 . . . . . 99 TYR CD2 . 50811 1 1116 . 1 . 1 99 99 TYR CE1 C 13 117.688 0.015 . 3 . . . . . 99 TYR CE1 . 50811 1 1117 . 1 . 1 99 99 TYR CE2 C 13 117.688 0.015 . 3 . . . . . 99 TYR CE2 . 50811 1 1118 . 1 . 1 99 99 TYR N N 15 118.536 0.05 . 1 . . . . . 99 TYR N . 50811 1 1119 . 1 . 1 100 100 HIS H H 1 9.106 0.05 . 1 . . . . . 100 HIS H . 50811 1 1120 . 1 . 1 100 100 HIS HA H 1 5 0.05 . 1 . . . . . 100 HIS HA . 50811 1 1121 . 1 . 1 100 100 HIS HB2 H 1 3.064 0.05 . 1 . . . . . 100 HIS HB2 . 50811 1 1122 . 1 . 1 100 100 HIS HB3 H 1 3.064 0.05 . 1 . . . . . 100 HIS HB3 . 50811 1 1123 . 1 . 1 100 100 HIS HD2 H 1 6.577 0.05 . 1 . . . . . 100 HIS HD2 . 50811 1 1124 . 1 . 1 100 100 HIS HE1 H 1 7.649 0.05 . 1 . . . . . 100 HIS HE1 . 50811 1 1125 . 1 . 1 100 100 HIS C C 13 174.673 0.1 . 1 . . . . . 100 HIS C . 50811 1 1126 . 1 . 1 100 100 HIS CA C 13 55.67 0.015 . 1 . . . . . 100 HIS CA . 50811 1 1127 . 1 . 1 100 100 HIS CB C 13 32.986 0.015 . 1 . . . . . 100 HIS CB . 50811 1 1128 . 1 . 1 100 100 HIS CD2 C 13 118.84 0.015 . 1 . . . . . 100 HIS CD2 . 50811 1 1129 . 1 . 1 100 100 HIS CE1 C 13 138.875 0.015 . 1 . . . . . 100 HIS CE1 . 50811 1 1130 . 1 . 1 100 100 HIS N N 15 120.543 0.05 . 1 . . . . . 100 HIS N . 50811 1 1131 . 1 . 1 101 101 ILE H H 1 9.824 0.05 . 1 . . . . . 101 ILE H . 50811 1 1132 . 1 . 1 101 101 ILE HA H 1 5.32 0.05 . 1 . . . . . 101 ILE HA . 50811 1 1133 . 1 . 1 101 101 ILE HB H 1 2.327 0.05 . 1 . . . . . 101 ILE HB . 50811 1 1134 . 1 . 1 101 101 ILE HG12 H 1 1.486 0.05 . 2 . . . . . 101 ILE HG12 . 50811 1 1135 . 1 . 1 101 101 ILE HG13 H 1 1.729 0.05 . 2 . . . . . 101 ILE HG13 . 50811 1 1136 . 1 . 1 101 101 ILE HG21 H 1 1.06 0.05 . 1 . . . . . 101 ILE HG21 . 50811 1 1137 . 1 . 1 101 101 ILE HG22 H 1 1.06 0.05 . 1 . . . . . 101 ILE HG22 . 50811 1 1138 . 1 . 1 101 101 ILE HG23 H 1 1.06 0.05 . 1 . . . . . 101 ILE HG23 . 50811 1 1139 . 1 . 1 101 101 ILE HD11 H 1 1.06 0.05 . 1 . . . . . 101 ILE HD11 . 50811 1 1140 . 1 . 1 101 101 ILE HD12 H 1 1.06 0.05 . 1 . . . . . 101 ILE HD12 . 50811 1 1141 . 1 . 1 101 101 ILE HD13 H 1 1.06 0.05 . 1 . . . . . 101 ILE HD13 . 50811 1 1142 . 1 . 1 101 101 ILE C C 13 175.224 0.1 . 1 . . . . . 101 ILE C . 50811 1 1143 . 1 . 1 101 101 ILE CA C 13 59.55 0.015 . 1 . . . . . 101 ILE CA . 50811 1 1144 . 1 . 1 101 101 ILE CB C 13 41.195 0.015 . 1 . . . . . 101 ILE CB . 50811 1 1145 . 1 . 1 101 101 ILE CG1 C 13 29.189 0.015 . 1 . . . . . 101 ILE CG1 . 50811 1 1146 . 1 . 1 101 101 ILE CG2 C 13 18.344 0.015 . 1 . . . . . 101 ILE CG2 . 50811 1 1147 . 1 . 1 101 101 ILE CD1 C 13 14.012 0.015 . 1 . . . . . 101 ILE CD1 . 50811 1 1148 . 1 . 1 101 101 ILE N N 15 127.11 0.05 . 1 . . . . . 101 ILE N . 50811 1 1149 . 1 . 1 102 102 LYS H H 1 8.853 0.05 . 1 . . . . . 102 LYS H . 50811 1 1150 . 1 . 1 102 102 LYS HA H 1 5.392 0.05 . 1 . . . . . 102 LYS HA . 50811 1 1151 . 1 . 1 102 102 LYS HB2 H 1 1.845 0.05 . 1 . . . . . 102 LYS HB2 . 50811 1 1152 . 1 . 1 102 102 LYS HB3 H 1 1.845 0.05 . 1 . . . . . 102 LYS HB3 . 50811 1 1153 . 1 . 1 102 102 LYS HG2 H 1 1.371 0.05 . 1 . . . . . 102 LYS HG2 . 50811 1 1154 . 1 . 1 102 102 LYS HG3 H 1 1.371 0.05 . 1 . . . . . 102 LYS HG3 . 50811 1 1155 . 1 . 1 102 102 LYS HD2 H 1 1.626 0.05 . 1 . . . . . 102 LYS HD2 . 50811 1 1156 . 1 . 1 102 102 LYS HD3 H 1 1.626 0.05 . 1 . . . . . 102 LYS HD3 . 50811 1 1157 . 1 . 1 102 102 LYS HE2 H 1 2.928 0.05 . 1 . . . . . 102 LYS HE2 . 50811 1 1158 . 1 . 1 102 102 LYS HE3 H 1 2.928 0.05 . 1 . . . . . 102 LYS HE3 . 50811 1 1159 . 1 . 1 102 102 LYS C C 13 174.693 0.1 . 1 . . . . . 102 LYS C . 50811 1 1160 . 1 . 1 102 102 LYS CA C 13 55.355 0.015 . 1 . . . . . 102 LYS CA . 50811 1 1161 . 1 . 1 102 102 LYS CB C 13 36.359 0.015 . 1 . . . . . 102 LYS CB . 50811 1 1162 . 1 . 1 102 102 LYS CG C 13 25.292 0.015 . 1 . . . . . 102 LYS CG . 50811 1 1163 . 1 . 1 102 102 LYS CD C 13 29.671 0.015 . 1 . . . . . 102 LYS CD . 50811 1 1164 . 1 . 1 102 102 LYS CE C 13 42.315 0.015 . 1 . . . . . 102 LYS CE . 50811 1 1165 . 1 . 1 102 102 LYS N N 15 128.144 0.05 . 1 . . . . . 102 LYS N . 50811 1 1166 . 1 . 1 103 103 ILE H H 1 8.694 0.05 . 1 . . . . . 103 ILE H . 50811 1 1167 . 1 . 1 103 103 ILE HA H 1 5.15 0.05 . 1 . . . . . 103 ILE HA . 50811 1 1168 . 1 . 1 103 103 ILE HB H 1 2.114 0.05 . 1 . . . . . 103 ILE HB . 50811 1 1169 . 1 . 1 103 103 ILE HG21 H 1 1.044 0.05 . 1 . . . . . 103 ILE HG21 . 50811 1 1170 . 1 . 1 103 103 ILE HG22 H 1 1.044 0.05 . 1 . . . . . 103 ILE HG22 . 50811 1 1171 . 1 . 1 103 103 ILE HG23 H 1 1.044 0.05 . 1 . . . . . 103 ILE HG23 . 50811 1 1172 . 1 . 1 103 103 ILE HD11 H 1 1.044 0.05 . 1 . . . . . 103 ILE HD11 . 50811 1 1173 . 1 . 1 103 103 ILE HD12 H 1 1.044 0.05 . 1 . . . . . 103 ILE HD12 . 50811 1 1174 . 1 . 1 103 103 ILE HD13 H 1 1.044 0.05 . 1 . . . . . 103 ILE HD13 . 50811 1 1175 . 1 . 1 103 103 ILE C C 13 174.9 0.1 . 1 . . . . . 103 ILE C . 50811 1 1176 . 1 . 1 103 103 ILE CA C 13 60.185 0.015 . 1 . . . . . 103 ILE CA . 50811 1 1177 . 1 . 1 103 103 ILE CB C 13 38.263 0.015 . 1 . . . . . 103 ILE CB . 50811 1 1178 . 1 . 1 103 103 ILE CG1 C 13 28.394 0.015 . 1 . . . . . 103 ILE CG1 . 50811 1 1179 . 1 . 1 103 103 ILE CG2 C 13 18.726 0.015 . 1 . . . . . 103 ILE CG2 . 50811 1 1180 . 1 . 1 103 103 ILE CD1 C 13 12.443 0.015 . 1 . . . . . 103 ILE CD1 . 50811 1 1181 . 1 . 1 103 103 ILE N N 15 126.626 0.05 . 1 . . . . . 103 ILE N . 50811 1 1182 . 1 . 1 104 104 VAL H H 1 8.865 0.05 . 1 . . . . . 104 VAL H . 50811 1 1183 . 1 . 1 104 104 VAL HA H 1 4.546 0.05 . 1 . . . . . 104 VAL HA . 50811 1 1184 . 1 . 1 104 104 VAL HB H 1 2.051 0.05 . 1 . . . . . 104 VAL HB . 50811 1 1185 . 1 . 1 104 104 VAL HG11 H 1 0.961 0.05 . 1 . . . . . 104 VAL HG11 . 50811 1 1186 . 1 . 1 104 104 VAL HG12 H 1 0.961 0.05 . 1 . . . . . 104 VAL HG12 . 50811 1 1187 . 1 . 1 104 104 VAL HG13 H 1 0.961 0.05 . 1 . . . . . 104 VAL HG13 . 50811 1 1188 . 1 . 1 104 104 VAL HG21 H 1 0.961 0.05 . 1 . . . . . 104 VAL HG21 . 50811 1 1189 . 1 . 1 104 104 VAL HG22 H 1 0.961 0.05 . 1 . . . . . 104 VAL HG22 . 50811 1 1190 . 1 . 1 104 104 VAL HG23 H 1 0.961 0.05 . 1 . . . . . 104 VAL HG23 . 50811 1 1191 . 1 . 1 104 104 VAL C C 13 175.115 0.1 . 1 . . . . . 104 VAL C . 50811 1 1192 . 1 . 1 104 104 VAL CA C 13 60.021 0.015 . 1 . . . . . 104 VAL CA . 50811 1 1193 . 1 . 1 104 104 VAL CB C 13 34.94 0.015 . 1 . . . . . 104 VAL CB . 50811 1 1194 . 1 . 1 104 104 VAL CG1 C 13 21.034 0.015 . 1 . . . . . 104 VAL CG1 . 50811 1 1195 . 1 . 1 104 104 VAL CG2 C 13 21.034 0.015 . 1 . . . . . 104 VAL CG2 . 50811 1 1196 . 1 . 1 104 104 VAL N N 15 124.538 0.05 . 1 . . . . . 104 VAL N . 50811 1 1197 . 1 . 1 105 105 ALA H H 1 8.9 0.05 . 1 . . . . . 105 ALA H . 50811 1 1198 . 1 . 1 105 105 ALA HA H 1 4.715 0.05 . 1 . . . . . 105 ALA HA . 50811 1 1199 . 1 . 1 105 105 ALA HB1 H 1 1.502 0.05 . 1 . . . . . 105 ALA HB1 . 50811 1 1200 . 1 . 1 105 105 ALA HB2 H 1 1.502 0.05 . 1 . . . . . 105 ALA HB2 . 50811 1 1201 . 1 . 1 105 105 ALA HB3 H 1 1.502 0.05 . 1 . . . . . 105 ALA HB3 . 50811 1 1202 . 1 . 1 105 105 ALA C C 13 178.164 0.1 . 1 . . . . . 105 ALA C . 50811 1 1203 . 1 . 1 105 105 ALA CA C 13 52.859 0.015 . 1 . . . . . 105 ALA CA . 50811 1 1204 . 1 . 1 105 105 ALA CB C 13 20.518 0.015 . 1 . . . . . 105 ALA CB . 50811 1 1205 . 1 . 1 105 105 ALA N N 15 128.102 0.05 . 1 . . . . . 105 ALA N . 50811 1 1206 . 1 . 1 106 106 THR H H 1 8.063 0.05 . 1 . . . . . 106 THR H . 50811 1 1207 . 1 . 1 106 106 THR HA H 1 4.435 0.05 . 1 . . . . . 106 THR HA . 50811 1 1208 . 1 . 1 106 106 THR C C 13 175.785 0.1 . 1 . . . . . 106 THR C . 50811 1 1209 . 1 . 1 106 106 THR CA C 13 58.966 0.015 . 1 . . . . . 106 THR CA . 50811 1 1210 . 1 . 1 106 106 THR CB C 13 67.963 0.015 . 1 . . . . . 106 THR CB . 50811 1 1211 . 1 . 1 106 106 THR N N 15 112.982 0.05 . 1 . . . . . 106 THR N . 50811 1 1212 . 1 . 1 107 107 PRO HA H 1 4.354 0.05 . 1 . . . . . 107 PRO HA . 50811 1 1213 . 1 . 1 107 107 PRO HB2 H 1 2.387 0.05 . 1 . . . . . 107 PRO HB2 . 50811 1 1214 . 1 . 1 107 107 PRO HB3 H 1 2.387 0.05 . 1 . . . . . 107 PRO HB3 . 50811 1 1215 . 1 . 1 107 107 PRO HG2 H 1 2.037 0.05 . 1 . . . . . 107 PRO HG2 . 50811 1 1216 . 1 . 1 107 107 PRO HG3 H 1 2.037 0.05 . 1 . . . . . 107 PRO HG3 . 50811 1 1217 . 1 . 1 107 107 PRO HD2 H 1 3.804 0.05 . 1 . . . . . 107 PRO HD2 . 50811 1 1218 . 1 . 1 107 107 PRO HD3 H 1 3.804 0.05 . 1 . . . . . 107 PRO HD3 . 50811 1 1219 . 1 . 1 107 107 PRO C C 13 176.572 0.1 . 1 . . . . . 107 PRO C . 50811 1 1220 . 1 . 1 107 107 PRO CA C 13 65.182 0.015 . 1 . . . . . 107 PRO CA . 50811 1 1221 . 1 . 1 107 107 PRO CB C 13 31.685 0.015 . 1 . . . . . 107 PRO CB . 50811 1 1222 . 1 . 1 107 107 PRO CG C 13 27.48 0.015 . 1 . . . . . 107 PRO CG . 50811 1 1223 . 1 . 1 107 107 PRO CD C 13 51.2 0.015 . 1 . . . . . 107 PRO CD . 50811 1 1224 . 1 . 1 108 108 ASP H H 1 7.858 0.05 . 1 . . . . . 108 ASP H . 50811 1 1225 . 1 . 1 108 108 ASP HA H 1 4.559 0.05 . 1 . . . . . 108 ASP HA . 50811 1 1226 . 1 . 1 108 108 ASP HB2 H 1 2.841 0.05 . 2 . . . . . 108 ASP HB2 . 50811 1 1227 . 1 . 1 108 108 ASP HB3 H 1 2.735 0.05 . 2 . . . . . 108 ASP HB3 . 50811 1 1228 . 1 . 1 108 108 ASP C C 13 176.505 0.1 . 1 . . . . . 108 ASP C . 50811 1 1229 . 1 . 1 108 108 ASP CA C 13 53.684 0.015 . 1 . . . . . 108 ASP CA . 50811 1 1230 . 1 . 1 108 108 ASP CB C 13 40.208 0.015 . 1 . . . . . 108 ASP CB . 50811 1 1231 . 1 . 1 108 108 ASP N N 15 114.442 0.05 . 1 . . . . . 108 ASP N . 50811 1 1232 . 1 . 1 109 109 GLY H H 1 8.033 0.05 . 1 . . . . . 109 GLY H . 50811 1 1233 . 1 . 1 109 109 GLY HA2 H 1 4.413 0.05 . 2 . . . . . 109 GLY HA2 . 50811 1 1234 . 1 . 1 109 109 GLY HA3 H 1 3.767 0.05 . 2 . . . . . 109 GLY HA3 . 50811 1 1235 . 1 . 1 109 109 GLY C C 13 174.416 0.1 . 1 . . . . . 109 GLY C . 50811 1 1236 . 1 . 1 109 109 GLY CA C 13 45.289 0.015 . 1 . . . . . 109 GLY CA . 50811 1 1237 . 1 . 1 109 109 GLY N N 15 108.108 0.05 . 1 . . . . . 109 GLY N . 50811 1 1238 . 1 . 1 110 110 GLY H H 1 7.344 0.05 . 1 . . . . . 110 GLY H . 50811 1 1239 . 1 . 1 110 110 GLY HA2 H 1 3.72 0.05 . 2 . . . . . 110 GLY HA2 . 50811 1 1240 . 1 . 1 110 110 GLY HA3 H 1 4.154 0.05 . 2 . . . . . 110 GLY HA3 . 50811 1 1241 . 1 . 1 110 110 GLY C C 13 174.219 0.1 . 1 . . . . . 110 GLY C . 50811 1 1242 . 1 . 1 110 110 GLY CA C 13 43.673 0.015 . 1 . . . . . 110 GLY CA . 50811 1 1243 . 1 . 1 110 110 GLY N N 15 108.802 0.05 . 1 . . . . . 110 GLY N . 50811 1 1244 . 1 . 1 111 111 CYS H H 1 9.047 0.05 . 1 . . . . . 111 CYS H . 50811 1 1245 . 1 . 1 111 111 CYS HA H 1 5.786 0.05 . 1 . . . . . 111 CYS HA . 50811 1 1246 . 1 . 1 111 111 CYS HB2 H 1 2.573 0.05 . 2 . . . . . 111 CYS HB2 . 50811 1 1247 . 1 . 1 111 111 CYS HB3 H 1 3.026 0.05 . 2 . . . . . 111 CYS HB3 . 50811 1 1248 . 1 . 1 111 111 CYS C C 13 173.349 0.1 . 1 . . . . . 111 CYS C . 50811 1 1249 . 1 . 1 111 111 CYS CA C 13 56.984 0.015 . 1 . . . . . 111 CYS CA . 50811 1 1250 . 1 . 1 111 111 CYS CB C 13 32.291 0.015 . 1 . . . . . 111 CYS CB . 50811 1 1251 . 1 . 1 111 111 CYS N N 15 115.934 0.05 . 1 . . . . . 111 CYS N . 50811 1 1252 . 1 . 1 112 112 ILE H H 1 9.154 0.05 . 1 . . . . . 112 ILE H . 50811 1 1253 . 1 . 1 112 112 ILE HA H 1 4.495 0.05 . 1 . . . . . 112 ILE HA . 50811 1 1254 . 1 . 1 112 112 ILE HB H 1 1.494 0.05 . 1 . . . . . 112 ILE HB . 50811 1 1255 . 1 . 1 112 112 ILE HG12 H 1 1.485 0.05 . 1 . . . . . 112 ILE HG12 . 50811 1 1256 . 1 . 1 112 112 ILE HG13 H 1 1.485 0.05 . 1 . . . . . 112 ILE HG13 . 50811 1 1257 . 1 . 1 112 112 ILE HG21 H 1 0.717 0.05 . 1 . . . . . 112 ILE HG21 . 50811 1 1258 . 1 . 1 112 112 ILE HG22 H 1 0.717 0.05 . 1 . . . . . 112 ILE HG22 . 50811 1 1259 . 1 . 1 112 112 ILE HG23 H 1 0.717 0.05 . 1 . . . . . 112 ILE HG23 . 50811 1 1260 . 1 . 1 112 112 ILE HD11 H 1 0.717 0.05 . 1 . . . . . 112 ILE HD11 . 50811 1 1261 . 1 . 1 112 112 ILE HD12 H 1 0.717 0.05 . 1 . . . . . 112 ILE HD12 . 50811 1 1262 . 1 . 1 112 112 ILE HD13 H 1 0.717 0.05 . 1 . . . . . 112 ILE HD13 . 50811 1 1263 . 1 . 1 112 112 ILE C C 13 174.926 0.1 . 1 . . . . . 112 ILE C . 50811 1 1264 . 1 . 1 112 112 ILE CA C 13 60.367 0.015 . 1 . . . . . 112 ILE CA . 50811 1 1265 . 1 . 1 112 112 ILE CB C 13 42.364 0.015 . 1 . . . . . 112 ILE CB . 50811 1 1266 . 1 . 1 112 112 ILE CG1 C 13 27.873 0.015 . 1 . . . . . 112 ILE CG1 . 50811 1 1267 . 1 . 1 112 112 ILE CG2 C 13 18.199 0.015 . 1 . . . . . 112 ILE CG2 . 50811 1 1268 . 1 . 1 112 112 ILE CD1 C 13 13.217 0.015 . 1 . . . . . 112 ILE CD1 . 50811 1 1269 . 1 . 1 112 112 ILE N N 15 118.625 0.05 . 1 . . . . . 112 ILE N . 50811 1 1270 . 1 . 1 113 113 CYS H H 1 8.888 0.05 . 1 . . . . . 113 CYS H . 50811 1 1271 . 1 . 1 113 113 CYS HA H 1 4.647 0.05 . 1 . . . . . 113 CYS HA . 50811 1 1272 . 1 . 1 113 113 CYS HB2 H 1 1.913 0.05 . 1 . . . . . 113 CYS HB2 . 50811 1 1273 . 1 . 1 113 113 CYS HB3 H 1 1.913 0.05 . 1 . . . . . 113 CYS HB3 . 50811 1 1274 . 1 . 1 113 113 CYS C C 13 173.694 0.1 . 1 . . . . . 113 CYS C . 50811 1 1275 . 1 . 1 113 113 CYS CA C 13 57.168 0.015 . 1 . . . . . 113 CYS CA . 50811 1 1276 . 1 . 1 113 113 CYS CB C 13 27.121 0.015 . 1 . . . . . 113 CYS CB . 50811 1 1277 . 1 . 1 113 113 CYS N N 15 125.672 0.05 . 1 . . . . . 113 CYS N . 50811 1 1278 . 1 . 1 114 114 LYS H H 1 9.486 0.05 . 1 . . . . . 114 LYS H . 50811 1 1279 . 1 . 1 114 114 LYS HA H 1 4.803 0.05 . 1 . . . . . 114 LYS HA . 50811 1 1280 . 1 . 1 114 114 LYS HB2 H 1 2.054 0.05 . 1 . . . . . 114 LYS HB2 . 50811 1 1281 . 1 . 1 114 114 LYS HB3 H 1 2.054 0.05 . 1 . . . . . 114 LYS HB3 . 50811 1 1282 . 1 . 1 114 114 LYS HG2 H 1 1.395 0.05 . 1 . . . . . 114 LYS HG2 . 50811 1 1283 . 1 . 1 114 114 LYS HG3 H 1 1.395 0.05 . 1 . . . . . 114 LYS HG3 . 50811 1 1284 . 1 . 1 114 114 LYS HD2 H 1 1.59 0.05 . 1 . . . . . 114 LYS HD2 . 50811 1 1285 . 1 . 1 114 114 LYS HD3 H 1 1.59 0.05 . 1 . . . . . 114 LYS HD3 . 50811 1 1286 . 1 . 1 114 114 LYS HE2 H 1 2.816 0.05 . 1 . . . . . 114 LYS HE2 . 50811 1 1287 . 1 . 1 114 114 LYS HE3 H 1 2.816 0.05 . 1 . . . . . 114 LYS HE3 . 50811 1 1288 . 1 . 1 114 114 LYS C C 13 174.82 0.1 . 1 . . . . . 114 LYS C . 50811 1 1289 . 1 . 1 114 114 LYS CA C 13 56.229 0.015 . 1 . . . . . 114 LYS CA . 50811 1 1290 . 1 . 1 114 114 LYS CB C 13 32.198 0.015 . 1 . . . . . 114 LYS CB . 50811 1 1291 . 1 . 1 114 114 LYS CG C 13 25.652 0.015 . 1 . . . . . 114 LYS CG . 50811 1 1292 . 1 . 1 114 114 LYS CD C 13 29.699 0.015 . 1 . . . . . 114 LYS CD . 50811 1 1293 . 1 . 1 114 114 LYS CE C 13 41.898 0.015 . 1 . . . . . 114 LYS CE . 50811 1 1294 . 1 . 1 114 114 LYS N N 15 129.799 0.05 . 1 . . . . . 114 LYS N . 50811 1 1295 . 1 . 1 115 115 ASN H H 1 8.78 0.05 . 1 . . . . . 115 ASN H . 50811 1 1296 . 1 . 1 115 115 ASN HA H 1 5.43 0.05 . 1 . . . . . 115 ASN HA . 50811 1 1297 . 1 . 1 115 115 ASN HB2 H 1 2.364 0.05 . 2 . . . . . 115 ASN HB2 . 50811 1 1298 . 1 . 1 115 115 ASN HB3 H 1 2.784 0.05 . 2 . . . . . 115 ASN HB3 . 50811 1 1299 . 1 . 1 115 115 ASN C C 13 173.478 0.1 . 1 . . . . . 115 ASN C . 50811 1 1300 . 1 . 1 115 115 ASN CA C 13 52.444 0.015 . 1 . . . . . 115 ASN CA . 50811 1 1301 . 1 . 1 115 115 ASN CB C 13 42.179 0.015 . 1 . . . . . 115 ASN CB . 50811 1 1302 . 1 . 1 115 115 ASN N N 15 123.714 0.05 . 1 . . . . . 115 ASN N . 50811 1 1303 . 1 . 1 116 116 ARG H H 1 9.279 0.05 . 1 . . . . . 116 ARG H . 50811 1 1304 . 1 . 1 116 116 ARG HA H 1 5.464 0.05 . 1 . . . . . 116 ARG HA . 50811 1 1305 . 1 . 1 116 116 ARG HB2 H 1 1.927 0.05 . 1 . . . . . 116 ARG HB2 . 50811 1 1306 . 1 . 1 116 116 ARG HB3 H 1 1.927 0.05 . 1 . . . . . 116 ARG HB3 . 50811 1 1307 . 1 . 1 116 116 ARG HG2 H 1 1.386 0.05 . 1 . . . . . 116 ARG HG2 . 50811 1 1308 . 1 . 1 116 116 ARG HG3 H 1 1.386 0.05 . 1 . . . . . 116 ARG HG3 . 50811 1 1309 . 1 . 1 116 116 ARG HD2 H 1 2.675 0.05 . 2 . . . . . 116 ARG HD2 . 50811 1 1310 . 1 . 1 116 116 ARG HD3 H 1 3.478 0.05 . 2 . . . . . 116 ARG HD3 . 50811 1 1311 . 1 . 1 116 116 ARG C C 13 174.841 0.1 . 1 . . . . . 116 ARG C . 50811 1 1312 . 1 . 1 116 116 ARG CA C 13 54.954 0.015 . 1 . . . . . 116 ARG CA . 50811 1 1313 . 1 . 1 116 116 ARG CB C 13 33.021 0.015 . 1 . . . . . 116 ARG CB . 50811 1 1314 . 1 . 1 116 116 ARG CG C 13 26.732 0.015 . 1 . . . . . 116 ARG CG . 50811 1 1315 . 1 . 1 116 116 ARG CD C 13 43.523 0.015 . 1 . . . . . 116 ARG CD . 50811 1 1316 . 1 . 1 116 116 ARG N N 15 129.781 0.05 . 1 . . . . . 116 ARG N . 50811 1 1317 . 1 . 1 117 117 SER H H 1 9.098 0.05 . 1 . . . . . 117 SER H . 50811 1 1318 . 1 . 1 117 117 SER HA H 1 5.261 0.05 . 1 . . . . . 117 SER HA . 50811 1 1319 . 1 . 1 117 117 SER HB2 H 1 3.478 0.05 . 1 . . . . . 117 SER HB2 . 50811 1 1320 . 1 . 1 117 117 SER HB3 H 1 3.478 0.05 . 1 . . . . . 117 SER HB3 . 50811 1 1321 . 1 . 1 117 117 SER C C 13 172.708 0.1 . 1 . . . . . 117 SER C . 50811 1 1322 . 1 . 1 117 117 SER CA C 13 56.291 0.015 . 1 . . . . . 117 SER CA . 50811 1 1323 . 1 . 1 117 117 SER CB C 13 65.618 0.015 . 1 . . . . . 117 SER CB . 50811 1 1324 . 1 . 1 117 117 SER N N 15 122.837 0.05 . 1 . . . . . 117 SER N . 50811 1 1325 . 1 . 1 118 118 ILE H H 1 8.671 0.05 . 1 . . . . . 118 ILE H . 50811 1 1326 . 1 . 1 118 118 ILE HA H 1 4.776 0.05 . 1 . . . . . 118 ILE HA . 50811 1 1327 . 1 . 1 118 118 ILE HB H 1 1.579 0.05 . 1 . . . . . 118 ILE HB . 50811 1 1328 . 1 . 1 118 118 ILE HG12 H 1 0.834 0.05 . 1 . . . . . 118 ILE HG12 . 50811 1 1329 . 1 . 1 118 118 ILE HG13 H 1 0.834 0.05 . 1 . . . . . 118 ILE HG13 . 50811 1 1330 . 1 . 1 118 118 ILE HG21 H 1 0.613 0.05 . 1 . . . . . 118 ILE HG21 . 50811 1 1331 . 1 . 1 118 118 ILE HG22 H 1 0.613 0.05 . 1 . . . . . 118 ILE HG22 . 50811 1 1332 . 1 . 1 118 118 ILE HG23 H 1 0.613 0.05 . 1 . . . . . 118 ILE HG23 . 50811 1 1333 . 1 . 1 118 118 ILE HD11 H 1 0.613 0.05 . 1 . . . . . 118 ILE HD11 . 50811 1 1334 . 1 . 1 118 118 ILE HD12 H 1 0.613 0.05 . 1 . . . . . 118 ILE HD12 . 50811 1 1335 . 1 . 1 118 118 ILE HD13 H 1 0.613 0.05 . 1 . . . . . 118 ILE HD13 . 50811 1 1336 . 1 . 1 118 118 ILE C C 13 175.576 0.1 . 1 . . . . . 118 ILE C . 50811 1 1337 . 1 . 1 118 118 ILE CA C 13 60.626 0.015 . 1 . . . . . 118 ILE CA . 50811 1 1338 . 1 . 1 118 118 ILE CB C 13 39.586 0.015 . 1 . . . . . 118 ILE CB . 50811 1 1339 . 1 . 1 118 118 ILE CG1 C 13 26.871 0.015 . 1 . . . . . 118 ILE CG1 . 50811 1 1340 . 1 . 1 118 118 ILE CG2 C 13 17.433 0.015 . 1 . . . . . 118 ILE CG2 . 50811 1 1341 . 1 . 1 118 118 ILE CD1 C 13 13.588 0.015 . 1 . . . . . 118 ILE CD1 . 50811 1 1342 . 1 . 1 118 118 ILE N N 15 123.254 0.05 . 1 . . . . . 118 ILE N . 50811 1 1343 . 1 . 1 119 119 TYR H H 1 9.289 0.05 . 1 . . . . . 119 TYR H . 50811 1 1344 . 1 . 1 119 119 TYR HA H 1 4.763 0.05 . 1 . . . . . 119 TYR HA . 50811 1 1345 . 1 . 1 119 119 TYR HB2 H 1 2.692 0.05 . 1 . . . . . 119 TYR HB2 . 50811 1 1346 . 1 . 1 119 119 TYR HB3 H 1 2.692 0.05 . 1 . . . . . 119 TYR HB3 . 50811 1 1347 . 1 . 1 119 119 TYR HD1 H 1 6.084 0.001 . 3 . . . . . 119 TYR HD1 . 50811 1 1348 . 1 . 1 119 119 TYR HD2 H 1 6.084 0.001 . 3 . . . . . 119 TYR HD2 . 50811 1 1349 . 1 . 1 119 119 TYR HE1 H 1 6.514 0.05 . 3 . . . . . 119 TYR HE1 . 50811 1 1350 . 1 . 1 119 119 TYR HE2 H 1 6.514 0.05 . 3 . . . . . 119 TYR HE2 . 50811 1 1351 . 1 . 1 119 119 TYR C C 13 175.061 0.1 . 1 . . . . . 119 TYR C . 50811 1 1352 . 1 . 1 119 119 TYR CA C 13 56.25 0.015 . 1 . . . . . 119 TYR CA . 50811 1 1353 . 1 . 1 119 119 TYR CB C 13 41.409 0.015 . 1 . . . . . 119 TYR CB . 50811 1 1354 . 1 . 1 119 119 TYR CD1 C 13 133.177 0.015 . 3 . . . . . 119 TYR CD1 . 50811 1 1355 . 1 . 1 119 119 TYR CD2 C 13 133.177 0.015 . 3 . . . . . 119 TYR CD2 . 50811 1 1356 . 1 . 1 119 119 TYR CE1 C 13 116.979 0.015 . 3 . . . . . 119 TYR CE1 . 50811 1 1357 . 1 . 1 119 119 TYR CE2 C 13 116.979 0.015 . 3 . . . . . 119 TYR CE2 . 50811 1 1358 . 1 . 1 119 119 TYR N N 15 127.795 0.05 . 1 . . . . . 119 TYR N . 50811 1 1359 . 1 . 1 120 120 THR H H 1 8.483 0.05 . 1 . . . . . 120 THR H . 50811 1 1360 . 1 . 1 120 120 THR HB H 1 4.225 0.05 . 1 . . . . . 120 THR HB . 50811 1 1361 . 1 . 1 120 120 THR C C 13 173.289 0.1 . 1 . . . . . 120 THR C . 50811 1 1362 . 1 . 1 120 120 THR CA C 13 59.623 0.015 . 1 . . . . . 120 THR CA . 50811 1 1363 . 1 . 1 120 120 THR CB C 13 69.826 0.015 . 1 . . . . . 120 THR CB . 50811 1 1364 . 1 . 1 120 120 THR N N 15 118.605 0.05 . 1 . . . . . 120 THR N . 50811 1 1365 . 1 . 1 121 121 PRO HA H 1 4.037 0.05 . 1 . . . . . 121 PRO HA . 50811 1 1366 . 1 . 1 121 121 PRO HB2 H 1 2.33 0.05 . 1 . . . . . 121 PRO HB2 . 50811 1 1367 . 1 . 1 121 121 PRO HB3 H 1 2.33 0.05 . 1 . . . . . 121 PRO HB3 . 50811 1 1368 . 1 . 1 121 121 PRO HG2 H 1 2.273 0.05 . 2 . . . . . 121 PRO HG2 . 50811 1 1369 . 1 . 1 121 121 PRO HG3 H 1 2.076 0.05 . 2 . . . . . 121 PRO HG3 . 50811 1 1370 . 1 . 1 121 121 PRO C C 13 175.963 0.1 . 1 . . . . . 121 PRO C . 50811 1 1371 . 1 . 1 121 121 PRO CA C 13 62.974 0.015 . 1 . . . . . 121 PRO CA . 50811 1 1372 . 1 . 1 121 121 PRO CB C 13 32.957 0.015 . 1 . . . . . 121 PRO CB . 50811 1 1373 . 1 . 1 121 121 PRO CG C 13 27.727 0.015 . 1 . . . . . 121 PRO CG . 50811 1 1374 . 1 . 1 121 121 PRO CD C 13 52.158 0.015 . 1 . . . . . 121 PRO CD . 50811 1 1375 . 1 . 1 122 122 LYS H H 1 8.299 0.05 . 1 . . . . . 122 LYS H . 50811 1 1376 . 1 . 1 122 122 LYS HA H 1 4.35 0.05 . 1 . . . . . 122 LYS HA . 50811 1 1377 . 1 . 1 122 122 LYS HB2 H 1 1.8 0.05 . 1 . . . . . 122 LYS HB2 . 50811 1 1378 . 1 . 1 122 122 LYS HB3 H 1 1.8 0.05 . 1 . . . . . 122 LYS HB3 . 50811 1 1379 . 1 . 1 122 122 LYS HG2 H 1 1.302 0.05 . 1 . . . . . 122 LYS HG2 . 50811 1 1380 . 1 . 1 122 122 LYS HG3 H 1 1.302 0.05 . 1 . . . . . 122 LYS HG3 . 50811 1 1381 . 1 . 1 122 122 LYS HD2 H 1 1.497 0.05 . 1 . . . . . 122 LYS HD2 . 50811 1 1382 . 1 . 1 122 122 LYS HD3 H 1 1.497 0.05 . 1 . . . . . 122 LYS HD3 . 50811 1 1383 . 1 . 1 122 122 LYS HE2 H 1 2.811 0.05 . 1 . . . . . 122 LYS HE2 . 50811 1 1384 . 1 . 1 122 122 LYS HE3 H 1 2.811 0.05 . 1 . . . . . 122 LYS HE3 . 50811 1 1385 . 1 . 1 122 122 LYS C C 13 177.023 0.1 . 1 . . . . . 122 LYS C . 50811 1 1386 . 1 . 1 122 122 LYS CA C 13 57.694 0.015 . 1 . . . . . 122 LYS CA . 50811 1 1387 . 1 . 1 122 122 LYS CB C 13 33.439 0.015 . 1 . . . . . 122 LYS CB . 50811 1 1388 . 1 . 1 122 122 LYS CG C 13 26.154 0.015 . 1 . . . . . 122 LYS CG . 50811 1 1389 . 1 . 1 122 122 LYS CD C 13 29.184 0.015 . 1 . . . . . 122 LYS CD . 50811 1 1390 . 1 . 1 122 122 LYS CE C 13 42.35 0.015 . 1 . . . . . 122 LYS CE . 50811 1 1391 . 1 . 1 122 122 LYS N N 15 120.912 0.05 . 1 . . . . . 122 LYS N . 50811 1 1392 . 1 . 1 123 123 CYS H H 1 8.689 0.05 . 1 . . . . . 123 CYS H . 50811 1 1393 . 1 . 1 123 123 CYS HA H 1 4.393 0.05 . 1 . . . . . 123 CYS HA . 50811 1 1394 . 1 . 1 123 123 CYS HB2 H 1 2.955 0.05 . 1 . . . . . 123 CYS HB2 . 50811 1 1395 . 1 . 1 123 123 CYS HB3 H 1 2.955 0.05 . 1 . . . . . 123 CYS HB3 . 50811 1 1396 . 1 . 1 123 123 CYS C C 13 174.57 0.1 . 1 . . . . . 123 CYS C . 50811 1 1397 . 1 . 1 123 123 CYS CA C 13 59.277 0.015 . 1 . . . . . 123 CYS CA . 50811 1 1398 . 1 . 1 123 123 CYS CB C 13 27.827 0.015 . 1 . . . . . 123 CYS CB . 50811 1 1399 . 1 . 1 123 123 CYS N N 15 119.456 0.05 . 1 . . . . . 123 CYS N . 50811 1 1400 . 1 . 1 124 124 ASP H H 1 8.506 0.05 . 1 . . . . . 124 ASP H . 50811 1 1401 . 1 . 1 124 124 ASP HA H 1 4.472 0.05 . 1 . . . . . 124 ASP HA . 50811 1 1402 . 1 . 1 124 124 ASP HB2 H 1 2.75 0.05 . 1 . . . . . 124 ASP HB2 . 50811 1 1403 . 1 . 1 124 124 ASP HB3 H 1 2.75 0.05 . 1 . . . . . 124 ASP HB3 . 50811 1 1404 . 1 . 1 124 124 ASP C C 13 175.437 0.1 . 1 . . . . . 124 ASP C . 50811 1 1405 . 1 . 1 124 124 ASP CA C 13 54.766 0.015 . 1 . . . . . 124 ASP CA . 50811 1 1406 . 1 . 1 124 124 ASP CB C 13 40.549 0.015 . 1 . . . . . 124 ASP CB . 50811 1 1407 . 1 . 1 124 124 ASP N N 15 120.597 0.05 . 1 . . . . . 124 ASP N . 50811 1 1408 . 1 . 1 125 125 ALA H H 1 7.748 0.05 . 1 . . . . . 125 ALA H . 50811 1 1409 . 1 . 1 125 125 ALA HA H 1 4.372 0.05 . 1 . . . . . 125 ALA HA . 50811 1 1410 . 1 . 1 125 125 ALA HB1 H 1 1.397 0.05 . 1 . . . . . 125 ALA HB1 . 50811 1 1411 . 1 . 1 125 125 ALA HB2 H 1 1.397 0.05 . 1 . . . . . 125 ALA HB2 . 50811 1 1412 . 1 . 1 125 125 ALA HB3 H 1 1.397 0.05 . 1 . . . . . 125 ALA HB3 . 50811 1 1413 . 1 . 1 125 125 ALA C C 13 177.282 0.1 . 1 . . . . . 125 ALA C . 50811 1 1414 . 1 . 1 125 125 ALA CA C 13 52.453 0.015 . 1 . . . . . 125 ALA CA . 50811 1 1415 . 1 . 1 125 125 ALA CB C 13 20.528 0.015 . 1 . . . . . 125 ALA CB . 50811 1 1416 . 1 . 1 125 125 ALA N N 15 122.002 0.05 . 1 . . . . . 125 ALA N . 50811 1 1417 . 1 . 1 126 126 GLN H H 1 8.359 0.05 . 1 . . . . . 126 GLN H . 50811 1 1418 . 1 . 1 126 126 GLN HA H 1 4.408 0.05 . 1 . . . . . 126 GLN HA . 50811 1 1419 . 1 . 1 126 126 GLN HB2 H 1 2.007 0.05 . 1 . . . . . 126 GLN HB2 . 50811 1 1420 . 1 . 1 126 126 GLN HB3 H 1 2.007 0.05 . 1 . . . . . 126 GLN HB3 . 50811 1 1421 . 1 . 1 126 126 GLN HG2 H 1 2.352 0.05 . 1 . . . . . 126 GLN HG2 . 50811 1 1422 . 1 . 1 126 126 GLN HG3 H 1 2.352 0.05 . 1 . . . . . 126 GLN HG3 . 50811 1 1423 . 1 . 1 126 126 GLN HE21 H 1 6.821 0.05 . 1 . . . . . 126 GLN HE21 . 50811 1 1424 . 1 . 1 126 126 GLN HE22 H 1 7.545 0.05 . 1 . . . . . 126 GLN HE22 . 50811 1 1425 . 1 . 1 126 126 GLN C C 13 175.802 0.1 . 1 . . . . . 126 GLN C . 50811 1 1426 . 1 . 1 126 126 GLN CA C 13 55.495 0.015 . 1 . . . . . 126 GLN CA . 50811 1 1427 . 1 . 1 126 126 GLN CB C 13 29.291 0.015 . 1 . . . . . 126 GLN CB . 50811 1 1428 . 1 . 1 126 126 GLN CG C 13 33.755 0.015 . 1 . . . . . 126 GLN CG . 50811 1 1429 . 1 . 1 126 126 GLN CD C 13 180.618 0.015 . 1 . . . . . 126 GLN CD . 50811 1 1430 . 1 . 1 126 126 GLN N N 15 119.627 0.05 . 1 . . . . . 126 GLN N . 50811 1 1431 . 1 . 1 126 126 GLN NE2 N 15 112.534 0.002 . 1 . . . . . 126 GLN NE2 . 50811 1 1432 . 1 . 1 127 127 VAL H H 1 8.217 0.05 . 1 . . . . . 127 VAL H . 50811 1 1433 . 1 . 1 127 127 VAL HA H 1 4.049 0.05 . 1 . . . . . 127 VAL HA . 50811 1 1434 . 1 . 1 127 127 VAL HB H 1 2.041 0.05 . 1 . . . . . 127 VAL HB . 50811 1 1435 . 1 . 1 127 127 VAL HG11 H 1 0.928 0.05 . 1 . . . . . 127 VAL HG11 . 50811 1 1436 . 1 . 1 127 127 VAL HG12 H 1 0.928 0.05 . 1 . . . . . 127 VAL HG12 . 50811 1 1437 . 1 . 1 127 127 VAL HG13 H 1 0.928 0.05 . 1 . . . . . 127 VAL HG13 . 50811 1 1438 . 1 . 1 127 127 VAL HG21 H 1 0.928 0.05 . 1 . . . . . 127 VAL HG21 . 50811 1 1439 . 1 . 1 127 127 VAL HG22 H 1 0.928 0.05 . 1 . . . . . 127 VAL HG22 . 50811 1 1440 . 1 . 1 127 127 VAL HG23 H 1 0.928 0.05 . 1 . . . . . 127 VAL HG23 . 50811 1 1441 . 1 . 1 127 127 VAL C C 13 175.943 0.1 . 1 . . . . . 127 VAL C . 50811 1 1442 . 1 . 1 127 127 VAL CA C 13 62.182 0.015 . 1 . . . . . 127 VAL CA . 50811 1 1443 . 1 . 1 127 127 VAL CB C 13 32.963 0.015 . 1 . . . . . 127 VAL CB . 50811 1 1444 . 1 . 1 127 127 VAL CG1 C 13 21.472 0.015 . 1 . . . . . 127 VAL CG1 . 50811 1 1445 . 1 . 1 127 127 VAL CG2 C 13 21.472 0.015 . 1 . . . . . 127 VAL CG2 . 50811 1 1446 . 1 . 1 127 127 VAL N N 15 122.411 0.05 . 1 . . . . . 127 VAL N . 50811 1 1447 . 1 . 1 128 128 SER H H 1 8.335 0.05 . 1 . . . . . 128 SER H . 50811 1 1448 . 1 . 1 128 128 SER HA H 1 4.549 0.05 . 1 . . . . . 128 SER HA . 50811 1 1449 . 1 . 1 128 128 SER HB2 H 1 4.111 0.05 . 2 . . . . . 128 SER HB2 . 50811 1 1450 . 1 . 1 128 128 SER HB3 H 1 3.907 0.05 . 2 . . . . . 128 SER HB3 . 50811 1 1451 . 1 . 1 128 128 SER C C 13 175.207 0.1 . 1 . . . . . 128 SER C . 50811 1 1452 . 1 . 1 128 128 SER CA C 13 57.575 0.015 . 1 . . . . . 128 SER CA . 50811 1 1453 . 1 . 1 128 128 SER CB C 13 64.099 0.015 . 1 . . . . . 128 SER CB . 50811 1 1454 . 1 . 1 128 128 SER N N 15 120.936 0.05 . 1 . . . . . 128 SER N . 50811 1 1455 . 1 . 1 129 129 GLU H H 1 8.827 0.05 . 1 . . . . . 129 GLU H . 50811 1 1456 . 1 . 1 129 129 GLU HA H 1 3.998 0.05 . 1 . . . . . 129 GLU HA . 50811 1 1457 . 1 . 1 129 129 GLU HB2 H 1 2.061 0.05 . 1 . . . . . 129 GLU HB2 . 50811 1 1458 . 1 . 1 129 129 GLU HB3 H 1 2.061 0.05 . 1 . . . . . 129 GLU HB3 . 50811 1 1459 . 1 . 1 129 129 GLU HG2 H 1 2.345 0.05 . 1 . . . . . 129 GLU HG2 . 50811 1 1460 . 1 . 1 129 129 GLU HG3 H 1 2.345 0.05 . 1 . . . . . 129 GLU HG3 . 50811 1 1461 . 1 . 1 129 129 GLU C C 13 178.973 0.1 . 1 . . . . . 129 GLU C . 50811 1 1462 . 1 . 1 129 129 GLU CA C 13 59.35 0.015 . 1 . . . . . 129 GLU CA . 50811 1 1463 . 1 . 1 129 129 GLU CB C 13 29.498 0.015 . 1 . . . . . 129 GLU CB . 50811 1 1464 . 1 . 1 129 129 GLU CG C 13 36.304 0.015 . 1 . . . . . 129 GLU CG . 50811 1 1465 . 1 . 1 129 129 GLU N N 15 124.679 0.05 . 1 . . . . . 129 GLU N . 50811 1 1466 . 1 . 1 130 130 GLU H H 1 8.586 0.05 . 1 . . . . . 130 GLU H . 50811 1 1467 . 1 . 1 130 130 GLU HA H 1 3.997 0.05 . 1 . . . . . 130 GLU HA . 50811 1 1468 . 1 . 1 130 130 GLU HB2 H 1 2.053 0.05 . 1 . . . . . 130 GLU HB2 . 50811 1 1469 . 1 . 1 130 130 GLU HB3 H 1 2.053 0.05 . 1 . . . . . 130 GLU HB3 . 50811 1 1470 . 1 . 1 130 130 GLU HG2 H 1 2.357 0.05 . 1 . . . . . 130 GLU HG2 . 50811 1 1471 . 1 . 1 130 130 GLU HG3 H 1 2.357 0.05 . 1 . . . . . 130 GLU HG3 . 50811 1 1472 . 1 . 1 130 130 GLU C C 13 179.299 0.1 . 1 . . . . . 130 GLU C . 50811 1 1473 . 1 . 1 130 130 GLU CA C 13 59.587 0.015 . 1 . . . . . 130 GLU CA . 50811 1 1474 . 1 . 1 130 130 GLU CB C 13 29.084 0.015 . 1 . . . . . 130 GLU CB . 50811 1 1475 . 1 . 1 130 130 GLU CG C 13 36.32 0.015 . 1 . . . . . 130 GLU CG . 50811 1 1476 . 1 . 1 130 130 GLU N N 15 119.031 0.05 . 1 . . . . . 130 GLU N . 50811 1 1477 . 1 . 1 131 131 GLU H H 1 7.898 0.05 . 1 . . . . . 131 GLU H . 50811 1 1478 . 1 . 1 131 131 GLU HA H 1 4.2 0.05 . 1 . . . . . 131 GLU HA . 50811 1 1479 . 1 . 1 131 131 GLU HB2 H 1 2.204 0.05 . 1 . . . . . 131 GLU HB2 . 50811 1 1480 . 1 . 1 131 131 GLU HB3 H 1 2.204 0.05 . 1 . . . . . 131 GLU HB3 . 50811 1 1481 . 1 . 1 131 131 GLU HG2 H 1 2.325 0.05 . 1 . . . . . 131 GLU HG2 . 50811 1 1482 . 1 . 1 131 131 GLU HG3 H 1 2.325 0.05 . 1 . . . . . 131 GLU HG3 . 50811 1 1483 . 1 . 1 131 131 GLU C C 13 179.61 0.1 . 1 . . . . . 131 GLU C . 50811 1 1484 . 1 . 1 131 131 GLU CA C 13 58.565 0.015 . 1 . . . . . 131 GLU CA . 50811 1 1485 . 1 . 1 131 131 GLU CB C 13 29.43 0.015 . 1 . . . . . 131 GLU CB . 50811 1 1486 . 1 . 1 131 131 GLU CG C 13 36.167 0.015 . 1 . . . . . 131 GLU CG . 50811 1 1487 . 1 . 1 131 131 GLU N N 15 120.497 0.05 . 1 . . . . . 131 GLU N . 50811 1 1488 . 1 . 1 132 132 ILE H H 1 7.663 0.05 . 1 . . . . . 132 ILE H . 50811 1 1489 . 1 . 1 132 132 ILE HA H 1 3.449 0.05 . 1 . . . . . 132 ILE HA . 50811 1 1490 . 1 . 1 132 132 ILE HB H 1 1.813 0.05 . 1 . . . . . 132 ILE HB . 50811 1 1491 . 1 . 1 132 132 ILE HG12 H 1 1.39 0.05 . 1 . . . . . 132 ILE HG12 . 50811 1 1492 . 1 . 1 132 132 ILE HG13 H 1 1.39 0.05 . 1 . . . . . 132 ILE HG13 . 50811 1 1493 . 1 . 1 132 132 ILE HG21 H 1 0.511 0.05 . 1 . . . . . 132 ILE HG21 . 50811 1 1494 . 1 . 1 132 132 ILE HG22 H 1 0.511 0.05 . 1 . . . . . 132 ILE HG22 . 50811 1 1495 . 1 . 1 132 132 ILE HG23 H 1 0.511 0.05 . 1 . . . . . 132 ILE HG23 . 50811 1 1496 . 1 . 1 132 132 ILE HD11 H 1 0.511 0.05 . 1 . . . . . 132 ILE HD11 . 50811 1 1497 . 1 . 1 132 132 ILE HD12 H 1 0.511 0.05 . 1 . . . . . 132 ILE HD12 . 50811 1 1498 . 1 . 1 132 132 ILE HD13 H 1 0.511 0.05 . 1 . . . . . 132 ILE HD13 . 50811 1 1499 . 1 . 1 132 132 ILE C C 13 178.648 0.1 . 1 . . . . . 132 ILE C . 50811 1 1500 . 1 . 1 132 132 ILE CA C 13 64.428 0.015 . 1 . . . . . 132 ILE CA . 50811 1 1501 . 1 . 1 132 132 ILE CB C 13 37.273 0.015 . 1 . . . . . 132 ILE CB . 50811 1 1502 . 1 . 1 132 132 ILE CG1 C 13 28.083 0.015 . 1 . . . . . 132 ILE CG1 . 50811 1 1503 . 1 . 1 132 132 ILE CG2 C 13 16.579 0.015 . 1 . . . . . 132 ILE CG2 . 50811 1 1504 . 1 . 1 132 132 ILE CD1 C 13 12.3 0.015 . 1 . . . . . 132 ILE CD1 . 50811 1 1505 . 1 . 1 132 132 ILE N N 15 122.071 0.05 . 1 . . . . . 132 ILE N . 50811 1 1506 . 1 . 1 133 133 LYS H H 1 8.141 0.05 . 1 . . . . . 133 LYS H . 50811 1 1507 . 1 . 1 133 133 LYS HA H 1 3.78 0.05 . 1 . . . . . 133 LYS HA . 50811 1 1508 . 1 . 1 133 133 LYS HB2 H 1 1.83 0.05 . 1 . . . . . 133 LYS HB2 . 50811 1 1509 . 1 . 1 133 133 LYS HB3 H 1 1.83 0.05 . 1 . . . . . 133 LYS HB3 . 50811 1 1510 . 1 . 1 133 133 LYS HG2 H 1 1.453 0.05 . 1 . . . . . 133 LYS HG2 . 50811 1 1511 . 1 . 1 133 133 LYS HG3 H 1 1.453 0.05 . 1 . . . . . 133 LYS HG3 . 50811 1 1512 . 1 . 1 133 133 LYS HD2 H 1 1.679 0.05 . 1 . . . . . 133 LYS HD2 . 50811 1 1513 . 1 . 1 133 133 LYS HD3 H 1 1.679 0.05 . 1 . . . . . 133 LYS HD3 . 50811 1 1514 . 1 . 1 133 133 LYS HE2 H 1 2.931 0.05 . 1 . . . . . 133 LYS HE2 . 50811 1 1515 . 1 . 1 133 133 LYS HE3 H 1 2.931 0.05 . 1 . . . . . 133 LYS HE3 . 50811 1 1516 . 1 . 1 133 133 LYS C C 13 178.624 0.1 . 1 . . . . . 133 LYS C . 50811 1 1517 . 1 . 1 133 133 LYS CA C 13 59.982 0.015 . 1 . . . . . 133 LYS CA . 50811 1 1518 . 1 . 1 133 133 LYS CB C 13 32.35 0.015 . 1 . . . . . 133 LYS CB . 50811 1 1519 . 1 . 1 133 133 LYS CG C 13 25.188 0.015 . 1 . . . . . 133 LYS CG . 50811 1 1520 . 1 . 1 133 133 LYS CD C 13 29.55 0.015 . 1 . . . . . 133 LYS CD . 50811 1 1521 . 1 . 1 133 133 LYS CE C 13 41.858 0.015 . 1 . . . . . 133 LYS CE . 50811 1 1522 . 1 . 1 133 133 LYS N N 15 121.032 0.05 . 1 . . . . . 133 LYS N . 50811 1 1523 . 1 . 1 134 134 ALA H H 1 8.1 0.05 . 1 . . . . . 134 ALA H . 50811 1 1524 . 1 . 1 134 134 ALA HA H 1 4.198 0.05 . 1 . . . . . 134 ALA HA . 50811 1 1525 . 1 . 1 134 134 ALA HB1 H 1 1.501 0.05 . 1 . . . . . 134 ALA HB1 . 50811 1 1526 . 1 . 1 134 134 ALA HB2 H 1 1.501 0.05 . 1 . . . . . 134 ALA HB2 . 50811 1 1527 . 1 . 1 134 134 ALA HB3 H 1 1.501 0.05 . 1 . . . . . 134 ALA HB3 . 50811 1 1528 . 1 . 1 134 134 ALA C C 13 181.068 0.1 . 1 . . . . . 134 ALA C . 50811 1 1529 . 1 . 1 134 134 ALA CA C 13 54.819 0.015 . 1 . . . . . 134 ALA CA . 50811 1 1530 . 1 . 1 134 134 ALA CB C 13 18.09 0.015 . 1 . . . . . 134 ALA CB . 50811 1 1531 . 1 . 1 134 134 ALA N N 15 121.026 0.05 . 1 . . . . . 134 ALA N . 50811 1 1532 . 1 . 1 135 135 GLY H H 1 8.233 0.05 . 1 . . . . . 135 GLY H . 50811 1 1533 . 1 . 1 135 135 GLY HA2 H 1 3.93 0.05 . 1 . . . . . 135 GLY HA2 . 50811 1 1534 . 1 . 1 135 135 GLY HA3 H 1 3.93 0.05 . 1 . . . . . 135 GLY HA3 . 50811 1 1535 . 1 . 1 135 135 GLY C C 13 176.887 0.1 . 1 . . . . . 135 GLY C . 50811 1 1536 . 1 . 1 135 135 GLY CA C 13 47.141 0.015 . 1 . . . . . 135 GLY CA . 50811 1 1537 . 1 . 1 135 135 GLY N N 15 106.04 0.05 . 1 . . . . . 135 GLY N . 50811 1 1538 . 1 . 1 136 136 LYS H H 1 8.173 0.05 . 1 . . . . . 136 LYS H . 50811 1 1539 . 1 . 1 136 136 LYS HA H 1 4.164 0.05 . 1 . . . . . 136 LYS HA . 50811 1 1540 . 1 . 1 136 136 LYS HB2 H 1 1.834 0.05 . 1 . . . . . 136 LYS HB2 . 50811 1 1541 . 1 . 1 136 136 LYS HB3 H 1 1.834 0.05 . 1 . . . . . 136 LYS HB3 . 50811 1 1542 . 1 . 1 136 136 LYS HG2 H 1 1.456 0.05 . 1 . . . . . 136 LYS HG2 . 50811 1 1543 . 1 . 1 136 136 LYS HG3 H 1 1.456 0.05 . 1 . . . . . 136 LYS HG3 . 50811 1 1544 . 1 . 1 136 136 LYS HD2 H 1 1.456 0.05 . 1 . . . . . 136 LYS HD2 . 50811 1 1545 . 1 . 1 136 136 LYS HD3 H 1 1.456 0.05 . 1 . . . . . 136 LYS HD3 . 50811 1 1546 . 1 . 1 136 136 LYS HE2 H 1 2.616 0.05 . 1 . . . . . 136 LYS HE2 . 50811 1 1547 . 1 . 1 136 136 LYS HE3 H 1 2.616 0.05 . 1 . . . . . 136 LYS HE3 . 50811 1 1548 . 1 . 1 136 136 LYS C C 13 178.691 0.1 . 1 . . . . . 136 LYS C . 50811 1 1549 . 1 . 1 136 136 LYS CA C 13 59.644 0.015 . 1 . . . . . 136 LYS CA . 50811 1 1550 . 1 . 1 136 136 LYS CB C 13 32.291 0.015 . 1 . . . . . 136 LYS CB . 50811 1 1551 . 1 . 1 136 136 LYS CG C 13 24.991 0.015 . 1 . . . . . 136 LYS CG . 50811 1 1552 . 1 . 1 136 136 LYS CD C 13 29.971 0.015 . 1 . . . . . 136 LYS CD . 50811 1 1553 . 1 . 1 136 136 LYS CE C 13 41.811 0.015 . 1 . . . . . 136 LYS CE . 50811 1 1554 . 1 . 1 136 136 LYS N N 15 124.319 0.05 . 1 . . . . . 136 LYS N . 50811 1 1555 . 1 . 1 137 137 GLU H H 1 7.975 0.05 . 1 . . . . . 137 GLU H . 50811 1 1556 . 1 . 1 137 137 GLU HA H 1 4.228 0.05 . 1 . . . . . 137 GLU HA . 50811 1 1557 . 1 . 1 137 137 GLU HB2 H 1 2.112 0.05 . 1 . . . . . 137 GLU HB2 . 50811 1 1558 . 1 . 1 137 137 GLU HB3 H 1 2.112 0.05 . 1 . . . . . 137 GLU HB3 . 50811 1 1559 . 1 . 1 137 137 GLU HG2 H 1 2.386 0.05 . 1 . . . . . 137 GLU HG2 . 50811 1 1560 . 1 . 1 137 137 GLU HG3 H 1 2.386 0.05 . 1 . . . . . 137 GLU HG3 . 50811 1 1561 . 1 . 1 137 137 GLU C C 13 179.429 0.1 . 1 . . . . . 137 GLU C . 50811 1 1562 . 1 . 1 137 137 GLU CA C 13 58.765 0.015 . 1 . . . . . 137 GLU CA . 50811 1 1563 . 1 . 1 137 137 GLU CB C 13 29.442 0.015 . 1 . . . . . 137 GLU CB . 50811 1 1564 . 1 . 1 137 137 GLU CG C 13 36.489 0.015 . 1 . . . . . 137 GLU CG . 50811 1 1565 . 1 . 1 137 137 GLU N N 15 119.555 0.05 . 1 . . . . . 137 GLU N . 50811 1 1566 . 1 . 1 138 138 ARG H H 1 8.066 0.05 . 1 . . . . . 138 ARG H . 50811 1 1567 . 1 . 1 138 138 ARG HA H 1 4.17 0.05 . 1 . . . . . 138 ARG HA . 50811 1 1568 . 1 . 1 138 138 ARG HB2 H 1 2.032 0.05 . 1 . . . . . 138 ARG HB2 . 50811 1 1569 . 1 . 1 138 138 ARG HB3 H 1 2.032 0.05 . 1 . . . . . 138 ARG HB3 . 50811 1 1570 . 1 . 1 138 138 ARG HG2 H 1 1.774 0.05 . 1 . . . . . 138 ARG HG2 . 50811 1 1571 . 1 . 1 138 138 ARG HG3 H 1 1.774 0.05 . 1 . . . . . 138 ARG HG3 . 50811 1 1572 . 1 . 1 138 138 ARG HD2 H 1 3.227 0.05 . 1 . . . . . 138 ARG HD2 . 50811 1 1573 . 1 . 1 138 138 ARG HD3 H 1 3.227 0.05 . 1 . . . . . 138 ARG HD3 . 50811 1 1574 . 1 . 1 138 138 ARG C C 13 178.42 0.1 . 1 . . . . . 138 ARG C . 50811 1 1575 . 1 . 1 138 138 ARG CA C 13 59.283 0.015 . 1 . . . . . 138 ARG CA . 50811 1 1576 . 1 . 1 138 138 ARG CB C 13 30.298 0.015 . 1 . . . . . 138 ARG CB . 50811 1 1577 . 1 . 1 138 138 ARG CG C 13 27.544 0.015 . 1 . . . . . 138 ARG CG . 50811 1 1578 . 1 . 1 138 138 ARG CD C 13 43.31 0.015 . 1 . . . . . 138 ARG CD . 50811 1 1579 . 1 . 1 138 138 ARG N N 15 120.337 0.05 . 1 . . . . . 138 ARG N . 50811 1 1580 . 1 . 1 139 139 ALA H H 1 7.878 0.05 . 1 . . . . . 139 ALA H . 50811 1 1581 . 1 . 1 139 139 ALA HA H 1 4.131 0.05 . 1 . . . . . 139 ALA HA . 50811 1 1582 . 1 . 1 139 139 ALA HB1 H 1 1.457 0.05 . 1 . . . . . 139 ALA HB1 . 50811 1 1583 . 1 . 1 139 139 ALA HB2 H 1 1.457 0.05 . 1 . . . . . 139 ALA HB2 . 50811 1 1584 . 1 . 1 139 139 ALA HB3 H 1 1.457 0.05 . 1 . . . . . 139 ALA HB3 . 50811 1 1585 . 1 . 1 139 139 ALA C C 13 180.277 0.1 . 1 . . . . . 139 ALA C . 50811 1 1586 . 1 . 1 139 139 ALA CA C 13 55.193 0.015 . 1 . . . . . 139 ALA CA . 50811 1 1587 . 1 . 1 139 139 ALA CB C 13 18.45 0.015 . 1 . . . . . 139 ALA CB . 50811 1 1588 . 1 . 1 139 139 ALA N N 15 120.578 0.05 . 1 . . . . . 139 ALA N . 50811 1 1589 . 1 . 1 140 140 SER H H 1 8.165 0.05 . 1 . . . . . 140 SER H . 50811 1 1590 . 1 . 1 140 140 SER HA H 1 4.152 0.05 . 1 . . . . . 140 SER HA . 50811 1 1591 . 1 . 1 140 140 SER HB2 H 1 3.998 0.05 . 1 . . . . . 140 SER HB2 . 50811 1 1592 . 1 . 1 140 140 SER HB3 H 1 3.998 0.05 . 1 . . . . . 140 SER HB3 . 50811 1 1593 . 1 . 1 140 140 SER C C 13 176.361 0.1 . 1 . . . . . 140 SER C . 50811 1 1594 . 1 . 1 140 140 SER CA C 13 61.177 0.015 . 1 . . . . . 140 SER CA . 50811 1 1595 . 1 . 1 140 140 SER CB C 13 62.972 0.015 . 1 . . . . . 140 SER CB . 50811 1 1596 . 1 . 1 140 140 SER N N 15 112.945 0.05 . 1 . . . . . 140 SER N . 50811 1 1597 . 1 . 1 141 141 GLY H H 1 8.187 0.05 . 1 . . . . . 141 GLY H . 50811 1 1598 . 1 . 1 141 141 GLY HA2 H 1 3.969 0.05 . 1 . . . . . 141 GLY HA2 . 50811 1 1599 . 1 . 1 141 141 GLY HA3 H 1 3.969 0.05 . 1 . . . . . 141 GLY HA3 . 50811 1 1600 . 1 . 1 141 141 GLY C C 13 176.534 0.1 . 1 . . . . . 141 GLY C . 50811 1 1601 . 1 . 1 141 141 GLY CA C 13 47.195 0.015 . 1 . . . . . 141 GLY CA . 50811 1 1602 . 1 . 1 141 141 GLY N N 15 108.629 0.05 . 1 . . . . . 141 GLY N . 50811 1 1603 . 1 . 1 142 142 ILE H H 1 7.964 0.05 . 1 . . . . . 142 ILE H . 50811 1 1604 . 1 . 1 142 142 ILE HA H 1 3.828 0.05 . 1 . . . . . 142 ILE HA . 50811 1 1605 . 1 . 1 142 142 ILE HB H 1 2.011 0.05 . 1 . . . . . 142 ILE HB . 50811 1 1606 . 1 . 1 142 142 ILE HG12 H 1 1.986 0.05 . 1 . . . . . 142 ILE HG12 . 50811 1 1607 . 1 . 1 142 142 ILE HG13 H 1 1.986 0.05 . 1 . . . . . 142 ILE HG13 . 50811 1 1608 . 1 . 1 142 142 ILE HG21 H 1 0.941 0.05 . 1 . . . . . 142 ILE HG21 . 50811 1 1609 . 1 . 1 142 142 ILE HG22 H 1 0.941 0.05 . 1 . . . . . 142 ILE HG22 . 50811 1 1610 . 1 . 1 142 142 ILE HG23 H 1 0.941 0.05 . 1 . . . . . 142 ILE HG23 . 50811 1 1611 . 1 . 1 142 142 ILE HD11 H 1 0.855 0.05 . 1 . . . . . 142 ILE HD11 . 50811 1 1612 . 1 . 1 142 142 ILE HD12 H 1 0.855 0.05 . 1 . . . . . 142 ILE HD12 . 50811 1 1613 . 1 . 1 142 142 ILE HD13 H 1 0.855 0.05 . 1 . . . . . 142 ILE HD13 . 50811 1 1614 . 1 . 1 142 142 ILE C C 13 177.409 0.1 . 1 . . . . . 142 ILE C . 50811 1 1615 . 1 . 1 142 142 ILE CA C 13 65.288 0.015 . 1 . . . . . 142 ILE CA . 50811 1 1616 . 1 . 1 142 142 ILE CB C 13 37.913 0.015 . 1 . . . . . 142 ILE CB . 50811 1 1617 . 1 . 1 142 142 ILE CG1 C 13 29.131 0.015 . 1 . . . . . 142 ILE CG1 . 50811 1 1618 . 1 . 1 142 142 ILE CG2 C 13 17.544 0.015 . 1 . . . . . 142 ILE CG2 . 50811 1 1619 . 1 . 1 142 142 ILE CD1 C 13 12.997 0.015 . 1 . . . . . 142 ILE CD1 . 50811 1 1620 . 1 . 1 142 142 ILE N N 15 120.885 0.05 . 1 . . . . . 142 ILE N . 50811 1 1621 . 1 . 1 143 143 PHE H H 1 7.681 0.05 . 1 . . . . . 143 PHE H . 50811 1 1622 . 1 . 1 143 143 PHE HB2 H 1 3.039 0.05 . 2 . . . . . 143 PHE HB2 . 50811 1 1623 . 1 . 1 143 143 PHE HB3 H 1 2.789 0.05 . 2 . . . . . 143 PHE HB3 . 50811 1 1624 . 1 . 1 143 143 PHE HD1 H 1 7.096 0.05 . 3 . . . . . 143 PHE HD1 . 50811 1 1625 . 1 . 1 143 143 PHE HD2 H 1 7.096 0.05 . 3 . . . . . 143 PHE HD2 . 50811 1 1626 . 1 . 1 143 143 PHE HE1 H 1 6.781 0.003 . 3 . . . . . 143 PHE HE1 . 50811 1 1627 . 1 . 1 143 143 PHE HE2 H 1 6.781 0.003 . 3 . . . . . 143 PHE HE2 . 50811 1 1628 . 1 . 1 143 143 PHE C C 13 177.326 0.1 . 1 . . . . . 143 PHE C . 50811 1 1629 . 1 . 1 143 143 PHE CA C 13 62.746 0.015 . 1 . . . . . 143 PHE CA . 50811 1 1630 . 1 . 1 143 143 PHE CB C 13 39.087 0.015 . 1 . . . . . 143 PHE CB . 50811 1 1631 . 1 . 1 143 143 PHE CE1 C 13 130.884 0.015 . 3 . . . . . 143 PHE CE1 . 50811 1 1632 . 1 . 1 143 143 PHE CE2 C 13 130.884 0.015 . 3 . . . . . 143 PHE CE2 . 50811 1 1633 . 1 . 1 143 143 PHE N N 15 119.761 0.05 . 1 . . . . . 143 PHE N . 50811 1 1634 . 1 . 1 144 144 LYS H H 1 8.26 0.05 . 1 . . . . . 144 LYS H . 50811 1 1635 . 1 . 1 144 144 LYS HA H 1 4.12 0.05 . 1 . . . . . 144 LYS HA . 50811 1 1636 . 1 . 1 144 144 LYS HB2 H 1 2.027 0.05 . 1 . . . . . 144 LYS HB2 . 50811 1 1637 . 1 . 1 144 144 LYS HB3 H 1 2.027 0.05 . 1 . . . . . 144 LYS HB3 . 50811 1 1638 . 1 . 1 144 144 LYS HG2 H 1 1.749 0.05 . 1 . . . . . 144 LYS HG2 . 50811 1 1639 . 1 . 1 144 144 LYS HG3 H 1 1.749 0.05 . 1 . . . . . 144 LYS HG3 . 50811 1 1640 . 1 . 1 144 144 LYS HD2 H 1 1.749 0.05 . 1 . . . . . 144 LYS HD2 . 50811 1 1641 . 1 . 1 144 144 LYS HD3 H 1 1.749 0.05 . 1 . . . . . 144 LYS HD3 . 50811 1 1642 . 1 . 1 144 144 LYS HE2 H 1 3.027 0.05 . 1 . . . . . 144 LYS HE2 . 50811 1 1643 . 1 . 1 144 144 LYS HE3 H 1 3.027 0.05 . 1 . . . . . 144 LYS HE3 . 50811 1 1644 . 1 . 1 144 144 LYS C C 13 180.326 0.1 . 1 . . . . . 144 LYS C . 50811 1 1645 . 1 . 1 144 144 LYS CA C 13 58.193 0.015 . 1 . . . . . 144 LYS CA . 50811 1 1646 . 1 . 1 144 144 LYS CB C 13 31.575 0.015 . 1 . . . . . 144 LYS CB . 50811 1 1647 . 1 . 1 144 144 LYS CG C 13 24.992 0.015 . 1 . . . . . 144 LYS CG . 50811 1 1648 . 1 . 1 144 144 LYS CD C 13 28.02 0.015 . 1 . . . . . 144 LYS CD . 50811 1 1649 . 1 . 1 144 144 LYS CE C 13 42.081 0.015 . 1 . . . . . 144 LYS CE . 50811 1 1650 . 1 . 1 144 144 LYS N N 15 115.786 0.05 . 1 . . . . . 144 LYS N . 50811 1 1651 . 1 . 1 145 145 LYS H H 1 8.168 0.05 . 1 . . . . . 145 LYS H . 50811 1 1652 . 1 . 1 145 145 LYS HA H 1 4.295 0.05 . 1 . . . . . 145 LYS HA . 50811 1 1653 . 1 . 1 145 145 LYS HB2 H 1 2.159 0.05 . 1 . . . . . 145 LYS HB2 . 50811 1 1654 . 1 . 1 145 145 LYS HB3 H 1 2.159 0.05 . 1 . . . . . 145 LYS HB3 . 50811 1 1655 . 1 . 1 145 145 LYS HG2 H 1 1.619 0.05 . 1 . . . . . 145 LYS HG2 . 50811 1 1656 . 1 . 1 145 145 LYS HG3 H 1 1.619 0.05 . 1 . . . . . 145 LYS HG3 . 50811 1 1657 . 1 . 1 145 145 LYS HD2 H 1 1.707 0.05 . 1 . . . . . 145 LYS HD2 . 50811 1 1658 . 1 . 1 145 145 LYS HD3 H 1 1.707 0.05 . 1 . . . . . 145 LYS HD3 . 50811 1 1659 . 1 . 1 145 145 LYS HE2 H 1 3.026 0.05 . 1 . . . . . 145 LYS HE2 . 50811 1 1660 . 1 . 1 145 145 LYS HE3 H 1 3.026 0.05 . 1 . . . . . 145 LYS HE3 . 50811 1 1661 . 1 . 1 145 145 LYS C C 13 180.212 0.1 . 1 . . . . . 145 LYS C . 50811 1 1662 . 1 . 1 145 145 LYS CA C 13 58.409 0.015 . 1 . . . . . 145 LYS CA . 50811 1 1663 . 1 . 1 145 145 LYS CB C 13 31.732 0.015 . 1 . . . . . 145 LYS CB . 50811 1 1664 . 1 . 1 145 145 LYS CG C 13 25.534 0.015 . 1 . . . . . 145 LYS CG . 50811 1 1665 . 1 . 1 145 145 LYS CD C 13 28.53 0.015 . 1 . . . . . 145 LYS CD . 50811 1 1666 . 1 . 1 145 145 LYS CE C 13 42.312 0.015 . 1 . . . . . 145 LYS CE . 50811 1 1667 . 1 . 1 145 145 LYS N N 15 121.072 0.05 . 1 . . . . . 145 LYS N . 50811 1 1668 . 1 . 1 146 146 VAL H H 1 8.448 0.05 . 1 . . . . . 146 VAL H . 50811 1 1669 . 1 . 1 146 146 VAL HA H 1 3.469 0.05 . 1 . . . . . 146 VAL HA . 50811 1 1670 . 1 . 1 146 146 VAL HB H 1 2.129 0.05 . 1 . . . . . 146 VAL HB . 50811 1 1671 . 1 . 1 146 146 VAL HG11 H 1 0.736 0.05 . 2 . . . . . 146 VAL HG11 . 50811 1 1672 . 1 . 1 146 146 VAL HG12 H 1 0.736 0.05 . 2 . . . . . 146 VAL HG12 . 50811 1 1673 . 1 . 1 146 146 VAL HG13 H 1 0.736 0.05 . 2 . . . . . 146 VAL HG13 . 50811 1 1674 . 1 . 1 146 146 VAL HG21 H 1 0.922 0.05 . 2 . . . . . 146 VAL HG21 . 50811 1 1675 . 1 . 1 146 146 VAL HG22 H 1 0.922 0.05 . 2 . . . . . 146 VAL HG22 . 50811 1 1676 . 1 . 1 146 146 VAL HG23 H 1 0.922 0.05 . 2 . . . . . 146 VAL HG23 . 50811 1 1677 . 1 . 1 146 146 VAL C C 13 176.818 0.1 . 1 . . . . . 146 VAL C . 50811 1 1678 . 1 . 1 146 146 VAL CA C 13 67.464 0.015 . 1 . . . . . 146 VAL CA . 50811 1 1679 . 1 . 1 146 146 VAL CB C 13 30.926 0.015 . 1 . . . . . 146 VAL CB . 50811 1 1680 . 1 . 1 146 146 VAL CG1 C 13 21.784 0.015 . 1 . . . . . 146 VAL CG1 . 50811 1 1681 . 1 . 1 146 146 VAL CG2 C 13 21.784 0.015 . 1 . . . . . 146 VAL CG2 . 50811 1 1682 . 1 . 1 146 146 VAL N N 15 123.713 0.05 . 1 . . . . . 146 VAL N . 50811 1 1683 . 1 . 1 147 147 GLU H H 1 8.109 0.05 . 1 . . . . . 147 GLU H . 50811 1 1684 . 1 . 1 147 147 GLU HA H 1 4.009 0.05 . 1 . . . . . 147 GLU HA . 50811 1 1685 . 1 . 1 147 147 GLU HB2 H 1 1.812 0.05 . 1 . . . . . 147 GLU HB2 . 50811 1 1686 . 1 . 1 147 147 GLU HB3 H 1 1.812 0.05 . 1 . . . . . 147 GLU HB3 . 50811 1 1687 . 1 . 1 147 147 GLU HG2 H 1 2.046 0.05 . 1 . . . . . 147 GLU HG2 . 50811 1 1688 . 1 . 1 147 147 GLU HG3 H 1 2.046 0.05 . 1 . . . . . 147 GLU HG3 . 50811 1 1689 . 1 . 1 147 147 GLU C C 13 177.08 0.1 . 1 . . . . . 147 GLU C . 50811 1 1690 . 1 . 1 147 147 GLU CA C 13 60.007 0.015 . 1 . . . . . 147 GLU CA . 50811 1 1691 . 1 . 1 147 147 GLU CB C 13 29.474 0.015 . 1 . . . . . 147 GLU CB . 50811 1 1692 . 1 . 1 147 147 GLU CG C 13 36.543 0.015 . 1 . . . . . 147 GLU CG . 50811 1 1693 . 1 . 1 147 147 GLU N N 15 120.275 0.05 . 1 . . . . . 147 GLU N . 50811 1 1694 . 1 . 1 148 148 ALA H H 1 7.986 0.05 . 1 . . . . . 148 ALA H . 50811 1 1695 . 1 . 1 148 148 ALA HA H 1 3.969 0.05 . 1 . . . . . 148 ALA HA . 50811 1 1696 . 1 . 1 148 148 ALA HB1 H 1 1.579 0.05 . 1 . . . . . 148 ALA HB1 . 50811 1 1697 . 1 . 1 148 148 ALA HB2 H 1 1.579 0.05 . 1 . . . . . 148 ALA HB2 . 50811 1 1698 . 1 . 1 148 148 ALA HB3 H 1 1.579 0.05 . 1 . . . . . 148 ALA HB3 . 50811 1 1699 . 1 . 1 148 148 ALA C C 13 180.394 0.1 . 1 . . . . . 148 ALA C . 50811 1 1700 . 1 . 1 148 148 ALA CA C 13 55.248 0.015 . 1 . . . . . 148 ALA CA . 50811 1 1701 . 1 . 1 148 148 ALA CB C 13 18.202 0.015 . 1 . . . . . 148 ALA CB . 50811 1 1702 . 1 . 1 148 148 ALA N N 15 118.524 0.05 . 1 . . . . . 148 ALA N . 50811 1 1703 . 1 . 1 149 149 TYR H H 1 8.002 0.05 . 1 . . . . . 149 TYR H . 50811 1 1704 . 1 . 1 149 149 TYR HA H 1 4.144 0.05 . 1 . . . . . 149 TYR HA . 50811 1 1705 . 1 . 1 149 149 TYR HB2 H 1 3.199 0.05 . 1 . . . . . 149 TYR HB2 . 50811 1 1706 . 1 . 1 149 149 TYR HB3 H 1 3.199 0.05 . 1 . . . . . 149 TYR HB3 . 50811 1 1707 . 1 . 1 149 149 TYR HD1 H 1 6.936 0.05 . 3 . . . . . 149 TYR HD1 . 50811 1 1708 . 1 . 1 149 149 TYR HD2 H 1 6.936 0.05 . 3 . . . . . 149 TYR HD2 . 50811 1 1709 . 1 . 1 149 149 TYR HE1 H 1 6.697 0.05 . 3 . . . . . 149 TYR HE1 . 50811 1 1710 . 1 . 1 149 149 TYR HE2 H 1 6.697 0.05 . 3 . . . . . 149 TYR HE2 . 50811 1 1711 . 1 . 1 149 149 TYR C C 13 177.933 0.1 . 1 . . . . . 149 TYR C . 50811 1 1712 . 1 . 1 149 149 TYR CA C 13 62.153 0.015 . 1 . . . . . 149 TYR CA . 50811 1 1713 . 1 . 1 149 149 TYR CB C 13 38.848 0.015 . 1 . . . . . 149 TYR CB . 50811 1 1714 . 1 . 1 149 149 TYR CD1 C 13 132.63 0.015 . 3 . . . . . 149 TYR CD1 . 50811 1 1715 . 1 . 1 149 149 TYR CD2 C 13 132.63 0.015 . 3 . . . . . 149 TYR CD2 . 50811 1 1716 . 1 . 1 149 149 TYR CE1 C 13 118.471 0.015 . 3 . . . . . 149 TYR CE1 . 50811 1 1717 . 1 . 1 149 149 TYR CE2 C 13 118.471 0.015 . 3 . . . . . 149 TYR CE2 . 50811 1 1718 . 1 . 1 149 149 TYR N N 15 120.092 0.05 . 1 . . . . . 149 TYR N . 50811 1 1719 . 1 . 1 150 150 LEU H H 1 8.323 0.05 . 1 . . . . . 150 LEU H . 50811 1 1720 . 1 . 1 150 150 LEU HA H 1 3.885 0.05 . 1 . . . . . 150 LEU HA . 50811 1 1721 . 1 . 1 150 150 LEU HB2 H 1 1.84 0.05 . 1 . . . . . 150 LEU HB2 . 50811 1 1722 . 1 . 1 150 150 LEU HB3 H 1 1.84 0.05 . 1 . . . . . 150 LEU HB3 . 50811 1 1723 . 1 . 1 150 150 LEU HG H 1 1.911 0.05 . 1 . . . . . 150 LEU HG . 50811 1 1724 . 1 . 1 150 150 LEU HD11 H 1 0.834 0.05 . 1 . . . . . 150 LEU HD11 . 50811 1 1725 . 1 . 1 150 150 LEU HD12 H 1 0.834 0.05 . 1 . . . . . 150 LEU HD12 . 50811 1 1726 . 1 . 1 150 150 LEU HD13 H 1 0.834 0.05 . 1 . . . . . 150 LEU HD13 . 50811 1 1727 . 1 . 1 150 150 LEU HD21 H 1 0.834 0.05 . 1 . . . . . 150 LEU HD21 . 50811 1 1728 . 1 . 1 150 150 LEU HD22 H 1 0.834 0.05 . 1 . . . . . 150 LEU HD22 . 50811 1 1729 . 1 . 1 150 150 LEU HD23 H 1 0.834 0.05 . 1 . . . . . 150 LEU HD23 . 50811 1 1730 . 1 . 1 150 150 LEU C C 13 180.515 0.1 . 1 . . . . . 150 LEU C . 50811 1 1731 . 1 . 1 150 150 LEU CA C 13 57.485 0.015 . 1 . . . . . 150 LEU CA . 50811 1 1732 . 1 . 1 150 150 LEU CB C 13 41.74 0.015 . 1 . . . . . 150 LEU CB . 50811 1 1733 . 1 . 1 150 150 LEU CG C 13 26.717 0.015 . 1 . . . . . 150 LEU CG . 50811 1 1734 . 1 . 1 150 150 LEU CD1 C 13 22.391 0.015 . 1 . . . . . 150 LEU CD1 . 50811 1 1735 . 1 . 1 150 150 LEU CD2 C 13 22.391 0.015 . 1 . . . . . 150 LEU CD2 . 50811 1 1736 . 1 . 1 150 150 LEU N N 15 120.838 0.05 . 1 . . . . . 150 LEU N . 50811 1 1737 . 1 . 1 151 151 LEU H H 1 8.232 0.05 . 1 . . . . . 151 LEU H . 50811 1 1738 . 1 . 1 151 151 LEU HA H 1 3.996 0.05 . 1 . . . . . 151 LEU HA . 50811 1 1739 . 1 . 1 151 151 LEU HB2 H 1 1.799 0.05 . 2 . . . . . 151 LEU HB2 . 50811 1 1740 . 1 . 1 151 151 LEU HB3 H 1 1.381 0.05 . 2 . . . . . 151 LEU HB3 . 50811 1 1741 . 1 . 1 151 151 LEU HD11 H 1 0.797 0.05 . 1 . . . . . 151 LEU HD11 . 50811 1 1742 . 1 . 1 151 151 LEU HD12 H 1 0.797 0.05 . 1 . . . . . 151 LEU HD12 . 50811 1 1743 . 1 . 1 151 151 LEU HD13 H 1 0.797 0.05 . 1 . . . . . 151 LEU HD13 . 50811 1 1744 . 1 . 1 151 151 LEU HD21 H 1 0.797 0.05 . 1 . . . . . 151 LEU HD21 . 50811 1 1745 . 1 . 1 151 151 LEU HD22 H 1 0.797 0.05 . 1 . . . . . 151 LEU HD22 . 50811 1 1746 . 1 . 1 151 151 LEU HD23 H 1 0.797 0.05 . 1 . . . . . 151 LEU HD23 . 50811 1 1747 . 1 . 1 151 151 LEU C C 13 178.806 0.1 . 1 . . . . . 151 LEU C . 50811 1 1748 . 1 . 1 151 151 LEU CA C 13 57.002 0.015 . 1 . . . . . 151 LEU CA . 50811 1 1749 . 1 . 1 151 151 LEU CB C 13 41.799 0.015 . 1 . . . . . 151 LEU CB . 50811 1 1750 . 1 . 1 151 151 LEU CG C 13 25.938 0.015 . 1 . . . . . 151 LEU CG . 50811 1 1751 . 1 . 1 151 151 LEU CD1 C 13 22.428 0.015 . 1 . . . . . 151 LEU CD1 . 50811 1 1752 . 1 . 1 151 151 LEU CD2 C 13 22.428 0.015 . 1 . . . . . 151 LEU CD2 . 50811 1 1753 . 1 . 1 151 151 LEU N N 15 118.272 0.05 . 1 . . . . . 151 LEU N . 50811 1 1754 . 1 . 1 152 152 ALA H H 1 7.298 0.05 . 1 . . . . . 152 ALA H . 50811 1 1755 . 1 . 1 152 152 ALA HA H 1 4.241 0.05 . 1 . . . . . 152 ALA HA . 50811 1 1756 . 1 . 1 152 152 ALA HB1 H 1 1.368 0.05 . 1 . . . . . 152 ALA HB1 . 50811 1 1757 . 1 . 1 152 152 ALA HB2 H 1 1.368 0.05 . 1 . . . . . 152 ALA HB2 . 50811 1 1758 . 1 . 1 152 152 ALA HB3 H 1 1.368 0.05 . 1 . . . . . 152 ALA HB3 . 50811 1 1759 . 1 . 1 152 152 ALA C C 13 176.887 0.1 . 1 . . . . . 152 ALA C . 50811 1 1760 . 1 . 1 152 152 ALA CA C 13 52.58 0.015 . 1 . . . . . 152 ALA CA . 50811 1 1761 . 1 . 1 152 152 ALA CB C 13 19.554 0.015 . 1 . . . . . 152 ALA CB . 50811 1 1762 . 1 . 1 152 152 ALA N N 15 118.894 0.05 . 1 . . . . . 152 ALA N . 50811 1 1763 . 1 . 1 153 153 ASN H H 1 7.313 0.05 . 1 . . . . . 153 ASN H . 50811 1 1764 . 1 . 1 153 153 ASN HA H 1 4.998 0.05 . 1 . . . . . 153 ASN HA . 50811 1 1765 . 1 . 1 153 153 ASN HB2 H 1 2.21 0.05 . 1 . . . . . 153 ASN HB2 . 50811 1 1766 . 1 . 1 153 153 ASN HB3 H 1 2.21 0.05 . 1 . . . . . 153 ASN HB3 . 50811 1 1767 . 1 . 1 153 153 ASN C C 13 171.552 0.1 . 1 . . . . . 153 ASN C . 50811 1 1768 . 1 . 1 153 153 ASN CA C 13 51.288 0.015 . 1 . . . . . 153 ASN CA . 50811 1 1769 . 1 . 1 153 153 ASN CB C 13 39.602 0.015 . 1 . . . . . 153 ASN CB . 50811 1 1770 . 1 . 1 153 153 ASN N N 15 116.645 0.05 . 1 . . . . . 153 ASN N . 50811 1 1771 . 1 . 1 154 154 PRO HA H 1 4.476 0.05 . 1 . . . . . 154 PRO HA . 50811 1 1772 . 1 . 1 154 154 PRO HB2 H 1 2.26 0.05 . 1 . . . . . 154 PRO HB2 . 50811 1 1773 . 1 . 1 154 154 PRO HB3 H 1 2.26 0.05 . 1 . . . . . 154 PRO HB3 . 50811 1 1774 . 1 . 1 154 154 PRO HG2 H 1 1.929 0.05 . 1 . . . . . 154 PRO HG2 . 50811 1 1775 . 1 . 1 154 154 PRO HG3 H 1 1.929 0.05 . 1 . . . . . 154 PRO HG3 . 50811 1 1776 . 1 . 1 154 154 PRO HD2 H 1 3.35 0.05 . 2 . . . . . 154 PRO HD2 . 50811 1 1777 . 1 . 1 154 154 PRO HD3 H 1 3.565 0.05 . 2 . . . . . 154 PRO HD3 . 50811 1 1778 . 1 . 1 154 154 PRO C C 13 175.48 0.1 . 1 . . . . . 154 PRO C . 50811 1 1779 . 1 . 1 154 154 PRO CA C 13 63.981 0.015 . 1 . . . . . 154 PRO CA . 50811 1 1780 . 1 . 1 154 154 PRO CB C 13 32.143 0.015 . 1 . . . . . 154 PRO CB . 50811 1 1781 . 1 . 1 154 154 PRO CG C 13 27.079 0.015 . 1 . . . . . 154 PRO CG . 50811 1 1782 . 1 . 1 154 154 PRO CD C 13 50.276 0.015 . 1 . . . . . 154 PRO CD . 50811 1 1783 . 1 . 1 155 155 ASP H H 1 8.451 0.05 . 1 . . . . . 155 ASP H . 50811 1 1784 . 1 . 1 155 155 ASP HA H 1 4.67 0.05 . 1 . . . . . 155 ASP HA . 50811 1 1785 . 1 . 1 155 155 ASP HB2 H 1 2.664 0.05 . 1 . . . . . 155 ASP HB2 . 50811 1 1786 . 1 . 1 155 155 ASP HB3 H 1 2.664 0.05 . 1 . . . . . 155 ASP HB3 . 50811 1 1787 . 1 . 1 155 155 ASP C C 13 175.464 0.1 . 1 . . . . . 155 ASP C . 50811 1 1788 . 1 . 1 155 155 ASP CA C 13 54.176 0.015 . 1 . . . . . 155 ASP CA . 50811 1 1789 . 1 . 1 155 155 ASP CB C 13 40.752 0.015 . 1 . . . . . 155 ASP CB . 50811 1 1790 . 1 . 1 155 155 ASP N N 15 118.941 0.05 . 1 . . . . . 155 ASP N . 50811 1 1791 . 1 . 1 156 156 CYS H H 1 7.731 0.05 . 1 . . . . . 156 CYS H . 50811 1 1792 . 1 . 1 156 156 CYS HA H 1 4.285 0.05 . 1 . . . . . 156 CYS HA . 50811 1 1793 . 1 . 1 156 156 CYS HB2 H 1 2.952 0.05 . 1 . . . . . 156 CYS HB2 . 50811 1 1794 . 1 . 1 156 156 CYS HB3 H 1 2.952 0.05 . 1 . . . . . 156 CYS HB3 . 50811 1 1795 . 1 . 1 156 156 CYS C C 13 178.596 0.1 . 1 . . . . . 156 CYS C . 50811 1 1796 . 1 . 1 156 156 CYS CA C 13 60.065 0.015 . 1 . . . . . 156 CYS CA . 50811 1 1797 . 1 . 1 156 156 CYS CB C 13 28.854 0.015 . 1 . . . . . 156 CYS CB . 50811 1 1798 . 1 . 1 156 156 CYS N N 15 123.162 0.05 . 1 . . . . . 156 CYS N . 50811 1 stop_ save_