data_28109 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28109 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for human P[4] rotavirus strain BM5265 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-03-26 _Entry.Accession_date 2020-03-26 _Entry.Last_release_date 2020-03-26 _Entry.Original_release_date 2020-03-26 _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 Shenyuan Xu . . . . 28109 2 Xi Jiang . . . . 28109 3 Michael Kennedy . A. . . 28109 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28109 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 453 28109 '15N chemical shifts' 141 28109 '1H chemical shifts' 141 28109 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 . . 2021-09-09 2020-03-26 update BMRB 'update entry citation' 28109 1 . . 2021-08-06 2020-03-26 original author 'original release' 28109 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28109 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34475219 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural basis of P[II] rotavirus evolution and host ranges under selection of histo-blood group antigens ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 118 _Citation.Journal_issue 36 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _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 e2107963118 _Citation.Page_last e2107963118 _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 Shenyuan Xu S. . . . 28109 1 2 'Kristen Rose' McGinnis K. R. . . 28109 1 3 Yang Liu Y. . . . 28109 1 4 Pengwei Huang P. . . . 28109 1 5 Ming Tan M. . . . 28109 1 6 'Michael Robert' Stuckert M. R. . . 28109 1 7 'Riley Erin' Burnside R. E. . . 28109 1 8 'Elsa Grace' Jacob E. G. . . 28109 1 9 Shuisong Ni S. . . . 28109 1 10 Xi Jiang X. . . . 28109 1 11 Michael Kennedy M. A. . . 28109 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28109 _Assembly.ID 1 _Assembly.Name 'P[4] VP8* monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'P[4] VP8*' 1 $entity_1 A . yes native no no . . . 28109 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 28109 _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 ; VLDGPYQPTTFKPPNDYWLL ISSNTDGVVYESTNNSDFWT AVIAVEPHVSQTNRQYVLFG ENKQFNVENNSDKWKFFEMF KGSGQSDFSNRRTLTSNNRL VGMLKYGGRVWTFHGETPRA TTDSSNTADLNNISIIIHSE FYIIPRSQESKCNEYINNGL ; _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 160 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . VAL . 28109 1 2 . LEU . 28109 1 3 . ASP . 28109 1 4 . GLY . 28109 1 5 . PRO . 28109 1 6 . TYR . 28109 1 7 . GLN . 28109 1 8 . PRO . 28109 1 9 . THR . 28109 1 10 . THR . 28109 1 11 . PHE . 28109 1 12 . LYS . 28109 1 13 . PRO . 28109 1 14 . PRO . 28109 1 15 . ASN . 28109 1 16 . ASP . 28109 1 17 . TYR . 28109 1 18 . TRP . 28109 1 19 . LEU . 28109 1 20 . LEU . 28109 1 21 . ILE . 28109 1 22 . SER . 28109 1 23 . SER . 28109 1 24 . ASN . 28109 1 25 . THR . 28109 1 26 . ASP . 28109 1 27 . GLY . 28109 1 28 . VAL . 28109 1 29 . VAL . 28109 1 30 . TYR . 28109 1 31 . GLU . 28109 1 32 . SER . 28109 1 33 . THR . 28109 1 34 . ASN . 28109 1 35 . ASN . 28109 1 36 . SER . 28109 1 37 . ASP . 28109 1 38 . PHE . 28109 1 39 . TRP . 28109 1 40 . THR . 28109 1 41 . ALA . 28109 1 42 . VAL . 28109 1 43 . ILE . 28109 1 44 . ALA . 28109 1 45 . VAL . 28109 1 46 . GLU . 28109 1 47 . PRO . 28109 1 48 . HIS . 28109 1 49 . VAL . 28109 1 50 . SER . 28109 1 51 . GLN . 28109 1 52 . THR . 28109 1 53 . ASN . 28109 1 54 . ARG . 28109 1 55 . GLN . 28109 1 56 . TYR . 28109 1 57 . VAL . 28109 1 58 . LEU . 28109 1 59 . PHE . 28109 1 60 . GLY . 28109 1 61 . GLU . 28109 1 62 . ASN . 28109 1 63 . LYS . 28109 1 64 . GLN . 28109 1 65 . PHE . 28109 1 66 . ASN . 28109 1 67 . VAL . 28109 1 68 . GLU . 28109 1 69 . ASN . 28109 1 70 . ASN . 28109 1 71 . SER . 28109 1 72 . ASP . 28109 1 73 . LYS . 28109 1 74 . TRP . 28109 1 75 . LYS . 28109 1 76 . PHE . 28109 1 77 . PHE . 28109 1 78 . GLU . 28109 1 79 . MET . 28109 1 80 . PHE . 28109 1 81 . LYS . 28109 1 82 . GLY . 28109 1 83 . SER . 28109 1 84 . GLY . 28109 1 85 . GLN . 28109 1 86 . SER . 28109 1 87 . ASP . 28109 1 88 . PHE . 28109 1 89 . SER . 28109 1 90 . ASN . 28109 1 91 . ARG . 28109 1 92 . ARG . 28109 1 93 . THR . 28109 1 94 . LEU . 28109 1 95 . THR . 28109 1 96 . SER . 28109 1 97 . ASN . 28109 1 98 . ASN . 28109 1 99 . ARG . 28109 1 100 . LEU . 28109 1 101 . VAL . 28109 1 102 . GLY . 28109 1 103 . MET . 28109 1 104 . LEU . 28109 1 105 . LYS . 28109 1 106 . TYR . 28109 1 107 . GLY . 28109 1 108 . GLY . 28109 1 109 . ARG . 28109 1 110 . VAL . 28109 1 111 . TRP . 28109 1 112 . THR . 28109 1 113 . PHE . 28109 1 114 . HIS . 28109 1 115 . GLY . 28109 1 116 . GLU . 28109 1 117 . THR . 28109 1 118 . PRO . 28109 1 119 . ARG . 28109 1 120 . ALA . 28109 1 121 . THR . 28109 1 122 . THR . 28109 1 123 . ASP . 28109 1 124 . SER . 28109 1 125 . SER . 28109 1 126 . ASN . 28109 1 127 . THR . 28109 1 128 . ALA . 28109 1 129 . ASP . 28109 1 130 . LEU . 28109 1 131 . ASN . 28109 1 132 . ASN . 28109 1 133 . ILE . 28109 1 134 . SER . 28109 1 135 . ILE . 28109 1 136 . ILE . 28109 1 137 . ILE . 28109 1 138 . HIS . 28109 1 139 . SER . 28109 1 140 . GLU . 28109 1 141 . PHE . 28109 1 142 . TYR . 28109 1 143 . ILE . 28109 1 144 . ILE . 28109 1 145 . PRO . 28109 1 146 . ARG . 28109 1 147 . SER . 28109 1 148 . GLN . 28109 1 149 . GLU . 28109 1 150 . SER . 28109 1 151 . LYS . 28109 1 152 . CYS . 28109 1 153 . ASN . 28109 1 154 . GLU . 28109 1 155 . TYR . 28109 1 156 . ILE . 28109 1 157 . ASN . 28109 1 158 . ASN . 28109 1 159 . GLY . 28109 1 160 . LEU . 28109 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 . VAL 1 1 28109 1 . LEU 2 2 28109 1 . ASP 3 3 28109 1 . GLY 4 4 28109 1 . PRO 5 5 28109 1 . TYR 6 6 28109 1 . GLN 7 7 28109 1 . PRO 8 8 28109 1 . THR 9 9 28109 1 . THR 10 10 28109 1 . PHE 11 11 28109 1 . LYS 12 12 28109 1 . PRO 13 13 28109 1 . PRO 14 14 28109 1 . ASN 15 15 28109 1 . ASP 16 16 28109 1 . TYR 17 17 28109 1 . TRP 18 18 28109 1 . LEU 19 19 28109 1 . LEU 20 20 28109 1 . ILE 21 21 28109 1 . SER 22 22 28109 1 . SER 23 23 28109 1 . ASN 24 24 28109 1 . THR 25 25 28109 1 . ASP 26 26 28109 1 . GLY 27 27 28109 1 . VAL 28 28 28109 1 . VAL 29 29 28109 1 . TYR 30 30 28109 1 . GLU 31 31 28109 1 . SER 32 32 28109 1 . THR 33 33 28109 1 . ASN 34 34 28109 1 . ASN 35 35 28109 1 . SER 36 36 28109 1 . ASP 37 37 28109 1 . PHE 38 38 28109 1 . TRP 39 39 28109 1 . THR 40 40 28109 1 . ALA 41 41 28109 1 . VAL 42 42 28109 1 . ILE 43 43 28109 1 . ALA 44 44 28109 1 . VAL 45 45 28109 1 . GLU 46 46 28109 1 . PRO 47 47 28109 1 . HIS 48 48 28109 1 . VAL 49 49 28109 1 . SER 50 50 28109 1 . GLN 51 51 28109 1 . THR 52 52 28109 1 . ASN 53 53 28109 1 . ARG 54 54 28109 1 . GLN 55 55 28109 1 . TYR 56 56 28109 1 . VAL 57 57 28109 1 . LEU 58 58 28109 1 . PHE 59 59 28109 1 . GLY 60 60 28109 1 . GLU 61 61 28109 1 . ASN 62 62 28109 1 . LYS 63 63 28109 1 . GLN 64 64 28109 1 . PHE 65 65 28109 1 . ASN 66 66 28109 1 . VAL 67 67 28109 1 . GLU 68 68 28109 1 . ASN 69 69 28109 1 . ASN 70 70 28109 1 . SER 71 71 28109 1 . ASP 72 72 28109 1 . LYS 73 73 28109 1 . TRP 74 74 28109 1 . LYS 75 75 28109 1 . PHE 76 76 28109 1 . PHE 77 77 28109 1 . GLU 78 78 28109 1 . MET 79 79 28109 1 . PHE 80 80 28109 1 . LYS 81 81 28109 1 . GLY 82 82 28109 1 . SER 83 83 28109 1 . GLY 84 84 28109 1 . GLN 85 85 28109 1 . SER 86 86 28109 1 . ASP 87 87 28109 1 . PHE 88 88 28109 1 . SER 89 89 28109 1 . ASN 90 90 28109 1 . ARG 91 91 28109 1 . ARG 92 92 28109 1 . THR 93 93 28109 1 . LEU 94 94 28109 1 . THR 95 95 28109 1 . SER 96 96 28109 1 . ASN 97 97 28109 1 . ASN 98 98 28109 1 . ARG 99 99 28109 1 . LEU 100 100 28109 1 . VAL 101 101 28109 1 . GLY 102 102 28109 1 . MET 103 103 28109 1 . LEU 104 104 28109 1 . LYS 105 105 28109 1 . TYR 106 106 28109 1 . GLY 107 107 28109 1 . GLY 108 108 28109 1 . ARG 109 109 28109 1 . VAL 110 110 28109 1 . TRP 111 111 28109 1 . THR 112 112 28109 1 . PHE 113 113 28109 1 . HIS 114 114 28109 1 . GLY 115 115 28109 1 . GLU 116 116 28109 1 . THR 117 117 28109 1 . PRO 118 118 28109 1 . ARG 119 119 28109 1 . ALA 120 120 28109 1 . THR 121 121 28109 1 . THR 122 122 28109 1 . ASP 123 123 28109 1 . SER 124 124 28109 1 . SER 125 125 28109 1 . ASN 126 126 28109 1 . THR 127 127 28109 1 . ALA 128 128 28109 1 . ASP 129 129 28109 1 . LEU 130 130 28109 1 . ASN 131 131 28109 1 . ASN 132 132 28109 1 . ILE 133 133 28109 1 . SER 134 134 28109 1 . ILE 135 135 28109 1 . ILE 136 136 28109 1 . ILE 137 137 28109 1 . HIS 138 138 28109 1 . SER 139 139 28109 1 . GLU 140 140 28109 1 . PHE 141 141 28109 1 . TYR 142 142 28109 1 . ILE 143 143 28109 1 . ILE 144 144 28109 1 . PRO 145 145 28109 1 . ARG 146 146 28109 1 . SER 147 147 28109 1 . GLN 148 148 28109 1 . GLU 149 149 28109 1 . SER 150 150 28109 1 . LYS 151 151 28109 1 . CYS 152 152 28109 1 . ASN 153 153 28109 1 . GLU 154 154 28109 1 . TYR 155 155 28109 1 . ILE 156 156 28109 1 . ASN 157 157 28109 1 . ASN 158 158 28109 1 . GLY 159 159 28109 1 . LEU 160 160 28109 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 28109 _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 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 28109 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 28109 _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 . . . . . . pET-28b . . . 28109 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28109 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C from D-Glucose-13C6, 15N from Ammonium Chloride (15N, 99%)' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'P[4] VP8*' '[U-13C; U-99% 15N]' . . 1 $entity_1 . . 0.6 . . mM . . . . 28109 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 28109 1 3 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 28109 1 4 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 28109 1 5 'potassium phosphate' 'natural abundance' . . . . . . 1.8 . . mM . . . . 28109 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 28109 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 200 . mM 28109 1 pH 7.8 . pH 28109 1 pressure 1 . atm 28109 1 temperature 298 . K 28109 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 28109 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 28109 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 28109 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 28109 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 28109 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 28109 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 28109 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 28109 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 28109 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 28109 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 28109 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 28109 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 28109 _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 $spectrometer_1 . . . . . . . . . . . . . . . . . 28109 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28109 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28109 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28109 1 5 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28109 1 6 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28109 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 28109 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 na 'methyl carbons' . . . . ppm 45 internal direct 1 . . . . . 28109 1 H 1 water protons . . . . ppm 4.710 internal direct 1 . . . . . 28109 1 N 15 na nitrogen . . . . ppm 118 internal direct 1 . . . . . 28109 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 28109 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 28109 1 2 '3D CBCA(CO)NH' . . . 28109 1 3 '3D HNCACB' . . . 28109 1 4 '3D HNCO' . . . 28109 1 5 '3D HN(CO)CA' . . . 28109 1 6 '3D HNCA' . . . 28109 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 1 1 VAL C C 13 172.254 0.01 . 1 . . . . . 1 VAL C . 28109 1 2 . 1 . 1 1 1 VAL CA C 13 60.245 0.04 . 1 . . . . . 1 VAL CA . 28109 1 3 . 1 . 1 1 1 VAL CB C 13 29.519 0.02 . 1 . . . . . 1 VAL CB . 28109 1 4 . 1 . 1 2 2 LEU H H 1 7.845 0.00 . 1 . . . . . 2 LEU H . 28109 1 5 . 1 . 1 2 2 LEU C C 13 172.832 0.01 . 1 . . . . . 2 LEU C . 28109 1 6 . 1 . 1 2 2 LEU CA C 13 52.007 0.04 . 1 . . . . . 2 LEU CA . 28109 1 7 . 1 . 1 2 2 LEU CB C 13 40.709 0.08 . 1 . . . . . 2 LEU CB . 28109 1 8 . 1 . 1 2 2 LEU N N 15 122.142 0.00 . 1 . . . . . 2 LEU N . 28109 1 9 . 1 . 1 3 3 ASP H H 1 8.518 0.00 . 1 . . . . . 3 ASP H . 28109 1 10 . 1 . 1 3 3 ASP C C 13 171.950 0.01 . 1 . . . . . 3 ASP C . 28109 1 11 . 1 . 1 3 3 ASP CA C 13 51.144 0.02 . 1 . . . . . 3 ASP CA . 28109 1 12 . 1 . 1 3 3 ASP CB C 13 38.643 0.10 . 1 . . . . . 3 ASP CB . 28109 1 13 . 1 . 1 3 3 ASP N N 15 125.913 0.00 . 1 . . . . . 3 ASP N . 28109 1 14 . 1 . 1 4 4 GLY H H 1 7.816 0.00 . 1 . . . . . 4 GLY H . 28109 1 15 . 1 . 1 4 4 GLY C C 13 167.976 0.00 . 1 . . . . . 4 GLY C . 28109 1 16 . 1 . 1 4 4 GLY CA C 13 41.159 0.04 . 1 . . . . . 4 GLY CA . 28109 1 17 . 1 . 1 4 4 GLY N N 15 111.535 0.00 . 1 . . . . . 4 GLY N . 28109 1 18 . 1 . 1 5 5 PRO C C 13 172.876 0.00 . 1 . . . . . 5 PRO C . 28109 1 19 . 1 . 1 5 5 PRO CA C 13 58.693 0.05 . 1 . . . . . 5 PRO CA . 28109 1 20 . 1 . 1 5 5 PRO CB C 13 30.919 0.00 . 1 . . . . . 5 PRO CB . 28109 1 21 . 1 . 1 6 6 TYR H H 1 9.118 0.00 . 1 . . . . . 6 TYR H . 28109 1 22 . 1 . 1 6 6 TYR C C 13 171.828 0.03 . 1 . . . . . 6 TYR C . 28109 1 23 . 1 . 1 6 6 TYR CA C 13 54.188 0.05 . 1 . . . . . 6 TYR CA . 28109 1 24 . 1 . 1 6 6 TYR CB C 13 36.266 0.21 . 1 . . . . . 6 TYR CB . 28109 1 25 . 1 . 1 6 6 TYR N N 15 123.435 0.00 . 1 . . . . . 6 TYR N . 28109 1 26 . 1 . 1 7 7 GLN H H 1 7.950 0.00 . 1 . . . . . 7 GLN H . 28109 1 27 . 1 . 1 7 7 GLN C C 13 170.156 0.00 . 1 . . . . . 7 GLN C . 28109 1 28 . 1 . 1 7 7 GLN CA C 13 50.994 0.01 . 1 . . . . . 7 GLN CA . 28109 1 29 . 1 . 1 7 7 GLN CB C 13 25.039 0.00 . 1 . . . . . 7 GLN CB . 28109 1 30 . 1 . 1 7 7 GLN N N 15 117.202 0.00 . 1 . . . . . 7 GLN N . 28109 1 31 . 1 . 1 8 8 PRO C C 13 173.022 0.01 . 1 . . . . . 8 PRO C . 28109 1 32 . 1 . 1 8 8 PRO CA C 13 62.309 0.02 . 1 . . . . . 8 PRO CA . 28109 1 33 . 1 . 1 8 8 PRO CB C 13 29.071 0.00 . 1 . . . . . 8 PRO CB . 28109 1 34 . 1 . 1 9 9 THR H H 1 7.297 0.01 . 1 . . . . . 9 THR H . 28109 1 35 . 1 . 1 9 9 THR C C 13 169.112 0.05 . 1 . . . . . 9 THR C . 28109 1 36 . 1 . 1 9 9 THR CA C 13 57.726 0.04 . 1 . . . . . 9 THR CA . 28109 1 37 . 1 . 1 9 9 THR CB C 13 65.558 0.21 . 1 . . . . . 9 THR CB . 28109 1 38 . 1 . 1 9 9 THR N N 15 115.186 0.00 . 1 . . . . . 9 THR N . 28109 1 39 . 1 . 1 10 10 THR H H 1 7.886 0.00 . 1 . . . . . 10 THR H . 28109 1 40 . 1 . 1 10 10 THR C C 13 171.071 0.00 . 1 . . . . . 10 THR C . 28109 1 41 . 1 . 1 10 10 THR CA C 13 58.239 0.15 . 1 . . . . . 10 THR CA . 28109 1 42 . 1 . 1 10 10 THR CB C 13 68.365 0.17 . 1 . . . . . 10 THR CB . 28109 1 43 . 1 . 1 10 10 THR N N 15 118.456 0.00 . 1 . . . . . 10 THR N . 28109 1 44 . 1 . 1 11 11 PHE H H 1 9.152 0.00 . 1 . . . . . 11 PHE H . 28109 1 45 . 1 . 1 11 11 PHE C C 13 169.752 0.00 . 1 . . . . . 11 PHE C . 28109 1 46 . 1 . 1 11 11 PHE CA C 13 52.869 0.03 . 1 . . . . . 11 PHE CA . 28109 1 47 . 1 . 1 11 11 PHE CB C 13 36.563 0.23 . 1 . . . . . 11 PHE CB . 28109 1 48 . 1 . 1 11 11 PHE N N 15 124.410 0.00 . 1 . . . . . 11 PHE N . 28109 1 49 . 1 . 1 12 12 LYS H H 1 8.555 0.00 . 1 . . . . . 12 LYS H . 28109 1 50 . 1 . 1 12 12 LYS C C 13 170.589 0.00 . 1 . . . . . 12 LYS C . 28109 1 51 . 1 . 1 12 12 LYS CA C 13 50.283 0.01 . 1 . . . . . 12 LYS CA . 28109 1 52 . 1 . 1 12 12 LYS CB C 13 29.146 0.00 . 1 . . . . . 12 LYS CB . 28109 1 53 . 1 . 1 12 12 LYS N N 15 122.583 0.00 . 1 . . . . . 12 LYS N . 28109 1 54 . 1 . 1 14 14 PRO C C 13 173.509 0.00 . 1 . . . . . 14 PRO C . 28109 1 55 . 1 . 1 14 14 PRO CA C 13 59.174 0.03 . 1 . . . . . 14 PRO CA . 28109 1 56 . 1 . 1 14 14 PRO CB C 13 28.697 0.04 . 1 . . . . . 14 PRO CB . 28109 1 57 . 1 . 1 15 15 ASN H H 1 8.560 0.01 . 1 . . . . . 15 ASN H . 28109 1 58 . 1 . 1 15 15 ASN C C 13 173.730 0.03 . 1 . . . . . 15 ASN C . 28109 1 59 . 1 . 1 15 15 ASN CA C 13 50.954 0.05 . 1 . . . . . 15 ASN CA . 28109 1 60 . 1 . 1 15 15 ASN CB C 13 34.682 0.18 . 1 . . . . . 15 ASN CB . 28109 1 61 . 1 . 1 15 15 ASN N N 15 119.638 0.00 . 1 . . . . . 15 ASN N . 28109 1 62 . 1 . 1 16 16 ASP H H 1 9.115 0.00 . 1 . . . . . 16 ASP H . 28109 1 63 . 1 . 1 16 16 ASP C C 13 171.696 0.04 . 1 . . . . . 16 ASP C . 28109 1 64 . 1 . 1 16 16 ASP CA C 13 54.916 0.13 . 1 . . . . . 16 ASP CA . 28109 1 65 . 1 . 1 16 16 ASP CB C 13 35.223 0.09 . 1 . . . . . 16 ASP CB . 28109 1 66 . 1 . 1 16 16 ASP N N 15 111.221 0.00 . 1 . . . . . 16 ASP N . 28109 1 67 . 1 . 1 17 17 TYR H H 1 7.366 0.01 . 1 . . . . . 17 TYR H . 28109 1 68 . 1 . 1 17 17 TYR C C 13 172.466 0.02 . 1 . . . . . 17 TYR C . 28109 1 69 . 1 . 1 17 17 TYR CA C 13 55.355 0.12 . 1 . . . . . 17 TYR CA . 28109 1 70 . 1 . 1 17 17 TYR CB C 13 38.431 0.14 . 1 . . . . . 17 TYR CB . 28109 1 71 . 1 . 1 17 17 TYR N N 15 116.943 0.00 . 1 . . . . . 17 TYR N . 28109 1 72 . 1 . 1 18 18 TRP H H 1 9.685 0.00 . 1 . . . . . 18 TRP H . 28109 1 73 . 1 . 1 18 18 TRP C C 13 173.172 0.01 . 1 . . . . . 18 TRP C . 28109 1 74 . 1 . 1 18 18 TRP CA C 13 55.865 0.07 . 1 . . . . . 18 TRP CA . 28109 1 75 . 1 . 1 18 18 TRP CB C 13 27.539 0.11 . 1 . . . . . 18 TRP CB . 28109 1 76 . 1 . 1 18 18 TRP N N 15 124.413 0.00 . 1 . . . . . 18 TRP N . 28109 1 77 . 1 . 1 19 19 LEU H H 1 9.357 0.00 . 1 . . . . . 19 LEU H . 28109 1 78 . 1 . 1 19 19 LEU C C 13 172.939 0.00 . 1 . . . . . 19 LEU C . 28109 1 79 . 1 . 1 19 19 LEU CA C 13 51.222 0.24 . 1 . . . . . 19 LEU CA . 28109 1 80 . 1 . 1 19 19 LEU CB C 13 38.928 0.17 . 1 . . . . . 19 LEU CB . 28109 1 81 . 1 . 1 19 19 LEU N N 15 122.470 0.00 . 1 . . . . . 19 LEU N . 28109 1 82 . 1 . 1 20 20 LEU H H 1 9.205 0.01 . 1 . . . . . 20 LEU H . 28109 1 83 . 1 . 1 20 20 LEU C C 13 172.414 0.00 . 1 . . . . . 20 LEU C . 28109 1 84 . 1 . 1 20 20 LEU CA C 13 50.684 0.14 . 1 . . . . . 20 LEU CA . 28109 1 85 . 1 . 1 20 20 LEU CB C 13 41.125 0.15 . 1 . . . . . 20 LEU CB . 28109 1 86 . 1 . 1 20 20 LEU N N 15 126.176 0.04 . 1 . . . . . 20 LEU N . 28109 1 87 . 1 . 1 21 21 ILE H H 1 9.333 0.00 . 1 . . . . . 21 ILE H . 28109 1 88 . 1 . 1 21 21 ILE C C 13 171.957 0.04 . 1 . . . . . 21 ILE C . 28109 1 89 . 1 . 1 21 21 ILE CA C 13 58.874 0.04 . 1 . . . . . 21 ILE CA . 28109 1 90 . 1 . 1 21 21 ILE CB C 13 37.349 0.09 . 1 . . . . . 21 ILE CB . 28109 1 91 . 1 . 1 21 21 ILE N N 15 127.496 0.00 . 1 . . . . . 21 ILE N . 28109 1 92 . 1 . 1 22 22 SER H H 1 8.366 0.00 . 1 . . . . . 22 SER H . 28109 1 93 . 1 . 1 22 22 SER C C 13 170.714 0.00 . 1 . . . . . 22 SER C . 28109 1 94 . 1 . 1 22 22 SER CA C 13 54.120 0.07 . 1 . . . . . 22 SER CA . 28109 1 95 . 1 . 1 22 22 SER CB C 13 61.881 0.10 . 1 . . . . . 22 SER CB . 28109 1 96 . 1 . 1 22 22 SER N N 15 121.097 0.00 . 1 . . . . . 22 SER N . 28109 1 97 . 1 . 1 23 23 SER H H 1 7.879 0.00 . 1 . . . . . 23 SER H . 28109 1 98 . 1 . 1 23 23 SER C C 13 171.377 0.00 . 1 . . . . . 23 SER C . 28109 1 99 . 1 . 1 23 23 SER CA C 13 54.983 0.06 . 1 . . . . . 23 SER CA . 28109 1 100 . 1 . 1 23 23 SER CB C 13 61.333 0.04 . 1 . . . . . 23 SER CB . 28109 1 101 . 1 . 1 23 23 SER N N 15 116.628 0.00 . 1 . . . . . 23 SER N . 28109 1 102 . 1 . 1 24 24 ASN H H 1 8.508 0.00 . 1 . . . . . 24 ASN H . 28109 1 103 . 1 . 1 24 24 ASN C C 13 171.563 0.02 . 1 . . . . . 24 ASN C . 28109 1 104 . 1 . 1 24 24 ASN CA C 13 49.833 0.16 . 1 . . . . . 24 ASN CA . 28109 1 105 . 1 . 1 24 24 ASN CB C 13 36.763 0.03 . 1 . . . . . 24 ASN CB . 28109 1 106 . 1 . 1 24 24 ASN N N 15 123.431 0.00 . 1 . . . . . 24 ASN N . 28109 1 107 . 1 . 1 25 25 THR H H 1 7.428 0.00 . 1 . . . . . 25 THR H . 28109 1 108 . 1 . 1 25 25 THR C C 13 169.712 0.00 . 1 . . . . . 25 THR C . 28109 1 109 . 1 . 1 25 25 THR CA C 13 57.501 0.01 . 1 . . . . . 25 THR CA . 28109 1 110 . 1 . 1 25 25 THR CB C 13 67.133 0.13 . 1 . . . . . 25 THR CB . 28109 1 111 . 1 . 1 25 25 THR N N 15 112.392 0.00 . 1 . . . . . 25 THR N . 28109 1 112 . 1 . 1 26 26 ASP H H 1 8.773 0.00 . 1 . . . . . 26 ASP H . 28109 1 113 . 1 . 1 26 26 ASP C C 13 172.316 0.01 . 1 . . . . . 26 ASP C . 28109 1 114 . 1 . 1 26 26 ASP CA C 13 52.035 0.01 . 1 . . . . . 26 ASP CA . 28109 1 115 . 1 . 1 26 26 ASP CB C 13 38.907 0.27 . 1 . . . . . 26 ASP CB . 28109 1 116 . 1 . 1 26 26 ASP N N 15 120.095 0.00 . 1 . . . . . 26 ASP N . 28109 1 117 . 1 . 1 27 27 GLY H H 1 8.581 0.00 . 1 . . . . . 27 GLY H . 28109 1 118 . 1 . 1 27 27 GLY C C 13 170.517 0.00 . 1 . . . . . 27 GLY C . 28109 1 119 . 1 . 1 27 27 GLY CA C 13 41.505 0.10 . 1 . . . . . 27 GLY CA . 28109 1 120 . 1 . 1 27 27 GLY N N 15 107.044 0.00 . 1 . . . . . 27 GLY N . 28109 1 121 . 1 . 1 28 28 VAL H H 1 8.763 0.01 . 1 . . . . . 28 VAL H . 28109 1 122 . 1 . 1 28 28 VAL C C 13 173.209 0.01 . 1 . . . . . 28 VAL C . 28109 1 123 . 1 . 1 28 28 VAL CA C 13 61.172 0.06 . 1 . . . . . 28 VAL CA . 28109 1 124 . 1 . 1 28 28 VAL CB C 13 30.261 0.00 . 1 . . . . . 28 VAL CB . 28109 1 125 . 1 . 1 28 28 VAL N N 15 122.034 0.01 . 1 . . . . . 28 VAL N . 28109 1 126 . 1 . 1 29 29 VAL H H 1 9.463 0.01 . 1 . . . . . 29 VAL H . 28109 1 127 . 1 . 1 29 29 VAL C C 13 173.848 0.00 . 1 . . . . . 29 VAL C . 28109 1 128 . 1 . 1 29 29 VAL CA C 13 62.075 0.03 . 1 . . . . . 29 VAL CA . 28109 1 129 . 1 . 1 29 29 VAL CB C 13 30.253 0.01 . 1 . . . . . 29 VAL CB . 28109 1 130 . 1 . 1 29 29 VAL N N 15 129.379 0.00 . 1 . . . . . 29 VAL N . 28109 1 131 . 1 . 1 30 30 TYR H H 1 7.113 0.01 . 1 . . . . . 30 TYR H . 28109 1 132 . 1 . 1 30 30 TYR C C 13 170.227 0.00 . 1 . . . . . 30 TYR C . 28109 1 133 . 1 . 1 30 30 TYR CA C 13 53.662 0.08 . 1 . . . . . 30 TYR CA . 28109 1 134 . 1 . 1 30 30 TYR CB C 13 37.649 0.05 . 1 . . . . . 30 TYR CB . 28109 1 135 . 1 . 1 30 30 TYR N N 15 109.869 0.00 . 1 . . . . . 30 TYR N . 28109 1 136 . 1 . 1 31 31 GLU H H 1 8.764 0.00 . 1 . . . . . 31 GLU H . 28109 1 137 . 1 . 1 31 31 GLU C C 13 172.570 0.04 . 1 . . . . . 31 GLU C . 28109 1 138 . 1 . 1 31 31 GLU CA C 13 52.766 0.03 . 1 . . . . . 31 GLU CA . 28109 1 139 . 1 . 1 31 31 GLU CB C 13 31.266 0.02 . 1 . . . . . 31 GLU CB . 28109 1 140 . 1 . 1 31 31 GLU N N 15 118.831 0.00 . 1 . . . . . 31 GLU N . 28109 1 141 . 1 . 1 32 32 SER H H 1 10.321 0.00 . 1 . . . . . 32 SER H . 28109 1 142 . 1 . 1 32 32 SER C C 13 170.369 0.00 . 1 . . . . . 32 SER C . 28109 1 143 . 1 . 1 32 32 SER CA C 13 53.687 0.04 . 1 . . . . . 32 SER CA . 28109 1 144 . 1 . 1 32 32 SER CB C 13 63.903 0.13 . 1 . . . . . 32 SER CB . 28109 1 145 . 1 . 1 32 32 SER N N 15 121.863 0.00 . 1 . . . . . 32 SER N . 28109 1 146 . 1 . 1 33 33 THR H H 1 8.297 0.00 . 1 . . . . . 33 THR H . 28109 1 147 . 1 . 1 33 33 THR C C 13 170.034 0.02 . 1 . . . . . 33 THR C . 28109 1 148 . 1 . 1 33 33 THR CA C 13 56.894 0.06 . 1 . . . . . 33 THR CA . 28109 1 149 . 1 . 1 33 33 THR CB C 13 67.394 0.16 . 1 . . . . . 33 THR CB . 28109 1 150 . 1 . 1 33 33 THR N N 15 118.926 0.00 . 1 . . . . . 33 THR N . 28109 1 151 . 1 . 1 34 34 ASN H H 1 7.456 0.00 . 1 . . . . . 34 ASN H . 28109 1 152 . 1 . 1 34 34 ASN C C 13 172.887 0.02 . 1 . . . . . 34 ASN C . 28109 1 153 . 1 . 1 34 34 ASN CA C 13 49.753 0.10 . 1 . . . . . 34 ASN CA . 28109 1 154 . 1 . 1 34 34 ASN CB C 13 35.712 0.25 . 1 . . . . . 34 ASN CB . 28109 1 155 . 1 . 1 34 34 ASN N N 15 120.798 0.00 . 1 . . . . . 34 ASN N . 28109 1 156 . 1 . 1 35 35 ASN H H 1 9.399 0.01 . 1 . . . . . 35 ASN H . 28109 1 157 . 1 . 1 35 35 ASN C C 13 170.882 0.00 . 1 . . . . . 35 ASN C . 28109 1 158 . 1 . 1 35 35 ASN CA C 13 52.834 0.00 . 1 . . . . . 35 ASN CA . 28109 1 159 . 1 . 1 35 35 ASN N N 15 115.589 0.00 . 1 . . . . . 35 ASN N . 28109 1 160 . 1 . 1 36 36 SER C C 13 172.115 0.00 . 1 . . . . . 36 SER C . 28109 1 161 . 1 . 1 36 36 SER CA C 13 57.887 0.07 . 1 . . . . . 36 SER CA . 28109 1 162 . 1 . 1 36 36 SER CB C 13 70.642 0.00 . 1 . . . . . 36 SER CB . 28109 1 163 . 1 . 1 37 37 ASP H H 1 8.738 0.00 . 1 . . . . . 37 ASP H . 28109 1 164 . 1 . 1 37 37 ASP C C 13 172.921 0.00 . 1 . . . . . 37 ASP C . 28109 1 165 . 1 . 1 37 37 ASP CA C 13 56.406 0.01 . 1 . . . . . 37 ASP CA . 28109 1 166 . 1 . 1 37 37 ASP CB C 13 38.035 0.00 . 1 . . . . . 37 ASP CB . 28109 1 167 . 1 . 1 37 37 ASP N N 15 126.729 0.00 . 1 . . . . . 37 ASP N . 28109 1 168 . 1 . 1 38 38 PHE H H 1 9.863 0.00 . 1 . . . . . 38 PHE H . 28109 1 169 . 1 . 1 38 38 PHE C C 13 172.771 0.00 . 1 . . . . . 38 PHE C . 28109 1 170 . 1 . 1 38 38 PHE CA C 13 49.748 0.00 . 1 . . . . . 38 PHE CA . 28109 1 171 . 1 . 1 38 38 PHE CB C 13 39.192 0.00 . 1 . . . . . 38 PHE CB . 28109 1 172 . 1 . 1 38 38 PHE N N 15 119.427 0.00 . 1 . . . . . 38 PHE N . 28109 1 173 . 1 . 1 39 39 TRP H H 1 7.398 0.003 . 1 . . . . . 39 TRP H . 28109 1 174 . 1 . 1 39 39 TRP C C 13 172.197 0.00 . 1 . . . . . 39 TRP C . 28109 1 175 . 1 . 1 39 39 TRP CA C 13 56.243 0.02 . 1 . . . . . 39 TRP CA . 28109 1 176 . 1 . 1 39 39 TRP N N 15 120.782 0.00 . 1 . . . . . 39 TRP N . 28109 1 177 . 1 . 1 40 40 THR H H 1 9.702 0.00 . 1 . . . . . 40 THR H . 28109 1 178 . 1 . 1 40 40 THR C C 13 170.512 0.03 . 1 . . . . . 40 THR C . 28109 1 179 . 1 . 1 40 40 THR CA C 13 59.072 0.16 . 1 . . . . . 40 THR CA . 28109 1 180 . 1 . 1 40 40 THR CB C 13 70.487 0.06 . 1 . . . . . 40 THR CB . 28109 1 181 . 1 . 1 40 40 THR N N 15 115.661 0.00 . 1 . . . . . 40 THR N . 28109 1 182 . 1 . 1 41 41 ALA H H 1 9.406 0.00 . 1 . . . . . 41 ALA H . 28109 1 183 . 1 . 1 41 41 ALA C C 13 172.494 0.02 . 1 . . . . . 41 ALA C . 28109 1 184 . 1 . 1 41 41 ALA CA C 13 47.421 0.03 . 1 . . . . . 41 ALA CA . 28109 1 185 . 1 . 1 41 41 ALA CB C 13 20.995 0.10 . 1 . . . . . 41 ALA CB . 28109 1 186 . 1 . 1 41 41 ALA N N 15 128.525 0.00 . 1 . . . . . 41 ALA N . 28109 1 187 . 1 . 1 42 42 VAL H H 1 7.197 0.00 . 1 . . . . . 42 VAL H . 28109 1 188 . 1 . 1 42 42 VAL C C 13 172.084 0.03 . 1 . . . . . 42 VAL C . 28109 1 189 . 1 . 1 42 42 VAL CA C 13 57.879 0.03 . 1 . . . . . 42 VAL CA . 28109 1 190 . 1 . 1 42 42 VAL CB C 13 31.522 0.00 . 1 . . . . . 42 VAL CB . 28109 1 191 . 1 . 1 42 42 VAL N N 15 121.121 0.00 . 1 . . . . . 42 VAL N . 28109 1 192 . 1 . 1 43 43 ILE H H 1 8.730 0.00 . 1 . . . . . 43 ILE H . 28109 1 193 . 1 . 1 43 43 ILE C C 13 171.241 0.04 . 1 . . . . . 43 ILE C . 28109 1 194 . 1 . 1 43 43 ILE CA C 13 56.300 0.10 . 1 . . . . . 43 ILE CA . 28109 1 195 . 1 . 1 43 43 ILE CB C 13 37.822 0.21 . 1 . . . . . 43 ILE CB . 28109 1 196 . 1 . 1 43 43 ILE N N 15 126.440 0.00 . 1 . . . . . 43 ILE N . 28109 1 197 . 1 . 1 44 44 ALA H H 1 9.590 0.00 . 1 . . . . . 44 ALA H . 28109 1 198 . 1 . 1 44 44 ALA C C 13 175.105 0.03 . 1 . . . . . 44 ALA C . 28109 1 199 . 1 . 1 44 44 ALA CA C 13 48.157 0.02 . 1 . . . . . 44 ALA CA . 28109 1 200 . 1 . 1 44 44 ALA CB C 13 19.635 0.09 . 1 . . . . . 44 ALA CB . 28109 1 201 . 1 . 1 44 44 ALA N N 15 129.351 0.00 . 1 . . . . . 44 ALA N . 28109 1 202 . 1 . 1 45 45 VAL H H 1 9.400 0.00 . 1 . . . . . 45 VAL H . 28109 1 203 . 1 . 1 45 45 VAL C C 13 169.356 0.03 . 1 . . . . . 45 VAL C . 28109 1 204 . 1 . 1 45 45 VAL CA C 13 60.571 0.04 . 1 . . . . . 45 VAL CA . 28109 1 205 . 1 . 1 45 45 VAL CB C 13 31.552 0.09 . 1 . . . . . 45 VAL CB . 28109 1 206 . 1 . 1 45 45 VAL N N 15 127.351 0.00 . 1 . . . . . 45 VAL N . 28109 1 207 . 1 . 1 46 46 GLU H H 1 10.683 0.00 . 1 . . . . . 46 GLU H . 28109 1 208 . 1 . 1 46 46 GLU C C 13 168.234 0.00 . 1 . . . . . 46 GLU C . 28109 1 209 . 1 . 1 46 46 GLU CA C 13 52.035 0.01 . 1 . . . . . 46 GLU CA . 28109 1 210 . 1 . 1 46 46 GLU N N 15 133.621 0.05 . 1 . . . . . 46 GLU N . 28109 1 211 . 1 . 1 47 47 PRO C C 13 173.613 0.05 . 1 . . . . . 47 PRO C . 28109 1 212 . 1 . 1 47 47 PRO CA C 13 59.977 0.13 . 1 . . . . . 47 PRO CA . 28109 1 213 . 1 . 1 47 47 PRO CB C 13 29.886 0.17 . 1 . . . . . 47 PRO CB . 28109 1 214 . 1 . 1 48 48 HIS H H 1 7.213 0.00 . 1 . . . . . 48 HIS H . 28109 1 215 . 1 . 1 48 48 HIS C C 13 171.305 0.03 . 1 . . . . . 48 HIS C . 28109 1 216 . 1 . 1 48 48 HIS CA C 13 54.110 0.06 . 1 . . . . . 48 HIS CA . 28109 1 217 . 1 . 1 48 48 HIS CB C 13 23.224 0.04 . 1 . . . . . 48 HIS CB . 28109 1 218 . 1 . 1 48 48 HIS N N 15 114.685 0.00 . 1 . . . . . 48 HIS N . 28109 1 219 . 1 . 1 49 49 VAL H H 1 8.403 0.00 . 1 . . . . . 49 VAL H . 28109 1 220 . 1 . 1 49 49 VAL C C 13 173.566 0.02 . 1 . . . . . 49 VAL C . 28109 1 221 . 1 . 1 49 49 VAL CA C 13 59.320 0.15 . 1 . . . . . 49 VAL CA . 28109 1 222 . 1 . 1 49 49 VAL CB C 13 31.807 0.13 . 1 . . . . . 49 VAL CB . 28109 1 223 . 1 . 1 49 49 VAL N N 15 123.060 0.00 . 1 . . . . . 49 VAL N . 28109 1 224 . 1 . 1 50 50 SER H H 1 8.270 0.00 . 1 . . . . . 50 SER H . 28109 1 225 . 1 . 1 50 50 SER C C 13 170.861 0.01 . 1 . . . . . 50 SER C . 28109 1 226 . 1 . 1 50 50 SER CA C 13 55.763 0.08 . 1 . . . . . 50 SER CA . 28109 1 227 . 1 . 1 50 50 SER CB C 13 60.913 0.05 . 1 . . . . . 50 SER CB . 28109 1 228 . 1 . 1 50 50 SER N N 15 124.586 0.00 . 1 . . . . . 50 SER N . 28109 1 229 . 1 . 1 51 51 GLN H H 1 8.457 0.00 . 1 . . . . . 51 GLN H . 28109 1 230 . 1 . 1 51 51 GLN C C 13 173.211 0.04 . 1 . . . . . 51 GLN C . 28109 1 231 . 1 . 1 51 51 GLN CA C 13 54.677 0.04 . 1 . . . . . 51 GLN CA . 28109 1 232 . 1 . 1 51 51 GLN CB C 13 25.914 0.16 . 1 . . . . . 51 GLN CB . 28109 1 233 . 1 . 1 51 51 GLN N N 15 120.615 0.00 . 1 . . . . . 51 GLN N . 28109 1 234 . 1 . 1 52 52 THR H H 1 8.754 0.00 . 1 . . . . . 52 THR H . 28109 1 235 . 1 . 1 52 52 THR C C 13 168.423 0.02 . 1 . . . . . 52 THR C . 28109 1 236 . 1 . 1 52 52 THR CA C 13 57.747 0.16 . 1 . . . . . 52 THR CA . 28109 1 237 . 1 . 1 52 52 THR CB C 13 66.760 0.19 . 1 . . . . . 52 THR CB . 28109 1 238 . 1 . 1 52 52 THR N N 15 122.271 0.00 . 1 . . . . . 52 THR N . 28109 1 239 . 1 . 1 53 53 ASN H H 1 8.118 0.00 . 1 . . . . . 53 ASN H . 28109 1 240 . 1 . 1 53 53 ASN C C 13 172.352 0.01 . 1 . . . . . 53 ASN C . 28109 1 241 . 1 . 1 53 53 ASN CA C 13 50.026 0.03 . 1 . . . . . 53 ASN CA . 28109 1 242 . 1 . 1 53 53 ASN CB C 13 37.267 0.10 . 1 . . . . . 53 ASN CB . 28109 1 243 . 1 . 1 53 53 ASN N N 15 123.176 0.00 . 1 . . . . . 53 ASN N . 28109 1 244 . 1 . 1 54 54 ARG H H 1 8.869 0.00 . 1 . . . . . 54 ARG H . 28109 1 245 . 1 . 1 54 54 ARG C C 13 170.442 0.01 . 1 . . . . . 54 ARG C . 28109 1 246 . 1 . 1 54 54 ARG CA C 13 53.242 0.06 . 1 . . . . . 54 ARG CA . 28109 1 247 . 1 . 1 54 54 ARG CB C 13 32.397 0.11 . 1 . . . . . 54 ARG CB . 28109 1 248 . 1 . 1 54 54 ARG N N 15 124.567 0.00 . 1 . . . . . 54 ARG N . 28109 1 249 . 1 . 1 55 55 GLN H H 1 7.794 0.00 . 1 . . . . . 55 GLN H . 28109 1 250 . 1 . 1 55 55 GLN C C 13 171.745 0.01 . 1 . . . . . 55 GLN C . 28109 1 251 . 1 . 1 55 55 GLN CA C 13 51.334 0.02 . 1 . . . . . 55 GLN CA . 28109 1 252 . 1 . 1 55 55 GLN CB C 13 28.153 0.13 . 1 . . . . . 55 GLN CB . 28109 1 253 . 1 . 1 55 55 GLN N N 15 118.404 0.00 . 1 . . . . . 55 GLN N . 28109 1 254 . 1 . 1 56 56 TYR H H 1 8.780 0.00 . 1 . . . . . 56 TYR H . 28109 1 255 . 1 . 1 56 56 TYR C C 13 171.106 0.02 . 1 . . . . . 56 TYR C . 28109 1 256 . 1 . 1 56 56 TYR CA C 13 53.362 0.03 . 1 . . . . . 56 TYR CA . 28109 1 257 . 1 . 1 56 56 TYR CB C 13 40.211 0.08 . 1 . . . . . 56 TYR CB . 28109 1 258 . 1 . 1 56 56 TYR N N 15 121.287 0.00 . 1 . . . . . 56 TYR N . 28109 1 259 . 1 . 1 57 57 VAL H H 1 8.456 0.00 . 1 . . . . . 57 VAL H . 28109 1 260 . 1 . 1 57 57 VAL C C 13 172.348 0.02 . 1 . . . . . 57 VAL C . 28109 1 261 . 1 . 1 57 57 VAL CA C 13 59.381 0.07 . 1 . . . . . 57 VAL CA . 28109 1 262 . 1 . 1 57 57 VAL CB C 13 27.938 0.36 . 1 . . . . . 57 VAL CB . 28109 1 263 . 1 . 1 57 57 VAL N N 15 123.243 0.00 . 1 . . . . . 57 VAL N . 28109 1 264 . 1 . 1 58 58 LEU H H 1 8.790 0.00 . 1 . . . . . 58 LEU H . 28109 1 265 . 1 . 1 58 58 LEU C C 13 173.871 0.00 . 1 . . . . . 58 LEU C . 28109 1 266 . 1 . 1 58 58 LEU CA C 13 50.003 0.13 . 1 . . . . . 58 LEU CA . 28109 1 267 . 1 . 1 58 58 LEU CB C 13 41.785 0.14 . 1 . . . . . 58 LEU CB . 28109 1 268 . 1 . 1 58 58 LEU N N 15 125.756 0.00 . 1 . . . . . 58 LEU N . 28109 1 269 . 1 . 1 59 59 PHE H H 1 9.720 0.00 . 1 . . . . . 59 PHE H . 28109 1 270 . 1 . 1 59 59 PHE C C 13 174.119 0.00 . 1 . . . . . 59 PHE C . 28109 1 271 . 1 . 1 59 59 PHE CA C 13 55.629 0.07 . 1 . . . . . 59 PHE CA . 28109 1 272 . 1 . 1 59 59 PHE CB C 13 33.172 0.17 . 1 . . . . . 59 PHE CB . 28109 1 273 . 1 . 1 59 59 PHE N N 15 125.591 0.00 . 1 . . . . . 59 PHE N . 28109 1 274 . 1 . 1 60 60 GLY H H 1 8.721 0.00 . 1 . . . . . 60 GLY H . 28109 1 275 . 1 . 1 60 60 GLY C C 13 171.130 0.01 . 1 . . . . . 60 GLY C . 28109 1 276 . 1 . 1 60 60 GLY CA C 13 42.622 0.03 . 1 . . . . . 60 GLY CA . 28109 1 277 . 1 . 1 60 60 GLY N N 15 103.399 0.00 . 1 . . . . . 60 GLY N . 28109 1 278 . 1 . 1 61 61 GLU H H 1 7.938 0.00 . 1 . . . . . 61 GLU H . 28109 1 279 . 1 . 1 61 61 GLU C C 13 171.789 0.01 . 1 . . . . . 61 GLU C . 28109 1 280 . 1 . 1 61 61 GLU CA C 13 51.778 0.03 . 1 . . . . . 61 GLU CA . 28109 1 281 . 1 . 1 61 61 GLU CB C 13 30.197 0.27 . 1 . . . . . 61 GLU CB . 28109 1 282 . 1 . 1 61 61 GLU N N 15 120.586 0.00 . 1 . . . . . 61 GLU N . 28109 1 283 . 1 . 1 62 62 ASN H H 1 8.710 0.01 . 1 . . . . . 62 ASN H . 28109 1 284 . 1 . 1 62 62 ASN C C 13 172.424 0.01 . 1 . . . . . 62 ASN C . 28109 1 285 . 1 . 1 62 62 ASN CA C 13 51.286 0.07 . 1 . . . . . 62 ASN CA . 28109 1 286 . 1 . 1 62 62 ASN CB C 13 35.800 0.09 . 1 . . . . . 62 ASN CB . 28109 1 287 . 1 . 1 62 62 ASN N N 15 121.951 0.00 . 1 . . . . . 62 ASN N . 28109 1 288 . 1 . 1 63 63 LYS H H 1 9.146 0.00 . 1 . . . . . 63 LYS H . 28109 1 289 . 1 . 1 63 63 LYS C C 13 171.375 0.02 . 1 . . . . . 63 LYS C . 28109 1 290 . 1 . 1 63 63 LYS CA C 13 50.352 0.03 . 1 . . . . . 63 LYS CA . 28109 1 291 . 1 . 1 63 63 LYS CB C 13 33.052 0.09 . 1 . . . . . 63 LYS CB . 28109 1 292 . 1 . 1 63 63 LYS N N 15 125.364 0.00 . 1 . . . . . 63 LYS N . 28109 1 293 . 1 . 1 64 64 GLN H H 1 7.932 0.00 . 1 . . . . . 64 GLN H . 28109 1 294 . 1 . 1 64 64 GLN C C 13 172.111 0.01 . 1 . . . . . 64 GLN C . 28109 1 295 . 1 . 1 64 64 GLN CA C 13 51.230 0.04 . 1 . . . . . 64 GLN CA . 28109 1 296 . 1 . 1 64 64 GLN CB C 13 28.423 0.19 . 1 . . . . . 64 GLN CB . 28109 1 297 . 1 . 1 64 64 GLN N N 15 119.903 0.00 . 1 . . . . . 64 GLN N . 28109 1 298 . 1 . 1 65 65 PHE H H 1 8.724 0.00 . 1 . . . . . 65 PHE H . 28109 1 299 . 1 . 1 65 65 PHE C C 13 171.101 0.02 . 1 . . . . . 65 PHE C . 28109 1 300 . 1 . 1 65 65 PHE CA C 13 53.005 0.12 . 1 . . . . . 65 PHE CA . 28109 1 301 . 1 . 1 65 65 PHE CB C 13 40.380 0.15 . 1 . . . . . 65 PHE CB . 28109 1 302 . 1 . 1 65 65 PHE N N 15 119.731 0.00 . 1 . . . . . 65 PHE N . 28109 1 303 . 1 . 1 66 66 ASN H H 1 8.740 0.01 . 1 . . . . . 66 ASN H . 28109 1 304 . 1 . 1 66 66 ASN C C 13 172.265 0.01 . 1 . . . . . 66 ASN C . 28109 1 305 . 1 . 1 66 66 ASN CA C 13 50.222 0.15 . 1 . . . . . 66 ASN CA . 28109 1 306 . 1 . 1 66 66 ASN CB C 13 36.529 0.05 . 1 . . . . . 66 ASN CB . 28109 1 307 . 1 . 1 66 66 ASN N N 15 121.811 0.13 . 1 . . . . . 66 ASN N . 28109 1 308 . 1 . 1 67 67 VAL H H 1 8.919 0.01 . 1 . . . . . 67 VAL H . 28109 1 309 . 1 . 1 67 67 VAL C C 13 170.426 0.01 . 1 . . . . . 67 VAL C . 28109 1 310 . 1 . 1 67 67 VAL CA C 13 56.469 0.03 . 1 . . . . . 67 VAL CA . 28109 1 311 . 1 . 1 67 67 VAL CB C 13 33.424 0.17 . 1 . . . . . 67 VAL CB . 28109 1 312 . 1 . 1 67 67 VAL N N 15 118.795 0.00 . 1 . . . . . 67 VAL N . 28109 1 313 . 1 . 1 68 68 GLU H H 1 7.246 0.00 . 1 . . . . . 68 GLU H . 28109 1 314 . 1 . 1 68 68 GLU C C 13 171.676 0.02 . 1 . . . . . 68 GLU C . 28109 1 315 . 1 . 1 68 68 GLU CA C 13 52.562 0.04 . 1 . . . . . 68 GLU CA . 28109 1 316 . 1 . 1 68 68 GLU CB C 13 30.803 0.07 . 1 . . . . . 68 GLU CB . 28109 1 317 . 1 . 1 68 68 GLU N N 15 115.929 0.00 . 1 . . . . . 68 GLU N . 28109 1 318 . 1 . 1 69 69 ASN H H 1 9.538 0.01 . 1 . . . . . 69 ASN H . 28109 1 319 . 1 . 1 69 69 ASN C C 13 171.456 0.00 . 1 . . . . . 69 ASN C . 28109 1 320 . 1 . 1 69 69 ASN CA C 13 50.004 0.03 . 1 . . . . . 69 ASN CA . 28109 1 321 . 1 . 1 69 69 ASN CB C 13 36.040 0.00 . 1 . . . . . 69 ASN CB . 28109 1 322 . 1 . 1 69 69 ASN N N 15 119.214 0.00 . 1 . . . . . 69 ASN N . 28109 1 323 . 1 . 1 70 70 ASN C C 13 171.962 0.02 . 1 . . . . . 70 ASN C . 28109 1 324 . 1 . 1 70 70 ASN CA C 13 49.923 0.01 . 1 . . . . . 70 ASN CA . 28109 1 325 . 1 . 1 70 70 ASN CB C 13 34.580 0.02 . 1 . . . . . 70 ASN CB . 28109 1 326 . 1 . 1 71 71 SER H H 1 7.888 0.00 . 1 . . . . . 71 SER H . 28109 1 327 . 1 . 1 71 71 SER C C 13 168.581 0.02 . 1 . . . . . 71 SER C . 28109 1 328 . 1 . 1 71 71 SER CA C 13 54.897 0.04 . 1 . . . . . 71 SER CA . 28109 1 329 . 1 . 1 71 71 SER CB C 13 63.544 0.07 . 1 . . . . . 71 SER CB . 28109 1 330 . 1 . 1 71 71 SER N N 15 117.556 0.00 . 1 . . . . . 71 SER N . 28109 1 331 . 1 . 1 72 72 ASP H H 1 7.980 0.01 . 1 . . . . . 72 ASP H . 28109 1 332 . 1 . 1 72 72 ASP C C 13 173.016 0.00 . 1 . . . . . 72 ASP C . 28109 1 333 . 1 . 1 72 72 ASP CA C 13 51.024 0.05 . 1 . . . . . 72 ASP CA . 28109 1 334 . 1 . 1 72 72 ASP CB C 13 38.294 0.21 . 1 . . . . . 72 ASP CB . 28109 1 335 . 1 . 1 72 72 ASP N N 15 114.972 0.00 . 1 . . . . . 72 ASP N . 28109 1 336 . 1 . 1 73 73 LYS H H 1 8.532 0.00 . 1 . . . . . 73 LYS H . 28109 1 337 . 1 . 1 73 73 LYS C C 13 173.043 0.01 . 1 . . . . . 73 LYS C . 28109 1 338 . 1 . 1 73 73 LYS CA C 13 51.835 0.10 . 1 . . . . . 73 LYS CA . 28109 1 339 . 1 . 1 73 73 LYS CB C 13 33.373 0.03 . 1 . . . . . 73 LYS CB . 28109 1 340 . 1 . 1 73 73 LYS N N 15 121.125 0.00 . 1 . . . . . 73 LYS N . 28109 1 341 . 1 . 1 74 74 TRP H H 1 7.367 0.00 . 1 . . . . . 74 TRP H . 28109 1 342 . 1 . 1 74 74 TRP C C 13 171.668 0.02 . 1 . . . . . 74 TRP C . 28109 1 343 . 1 . 1 74 74 TRP CA C 13 57.232 0.02 . 1 . . . . . 74 TRP CA . 28109 1 344 . 1 . 1 74 74 TRP CB C 13 26.119 0.23 . 1 . . . . . 74 TRP CB . 28109 1 345 . 1 . 1 74 74 TRP N N 15 119.668 0.00 . 1 . . . . . 74 TRP N . 28109 1 346 . 1 . 1 75 75 LYS H H 1 8.056 0.00 . 1 . . . . . 75 LYS H . 28109 1 347 . 1 . 1 75 75 LYS C C 13 170.754 0.01 . 1 . . . . . 75 LYS C . 28109 1 348 . 1 . 1 75 75 LYS CA C 13 52.555 0.07 . 1 . . . . . 75 LYS CA . 28109 1 349 . 1 . 1 75 75 LYS CB C 13 34.372 0.27 . 1 . . . . . 75 LYS CB . 28109 1 350 . 1 . 1 75 75 LYS N N 15 118.732 0.01 . 1 . . . . . 75 LYS N . 28109 1 351 . 1 . 1 76 76 PHE H H 1 8.962 0.00 . 1 . . . . . 76 PHE H . 28109 1 352 . 1 . 1 76 76 PHE C C 13 173.332 0.02 . 1 . . . . . 76 PHE C . 28109 1 353 . 1 . 1 76 76 PHE CA C 13 53.115 0.02 . 1 . . . . . 76 PHE CA . 28109 1 354 . 1 . 1 76 76 PHE CB C 13 36.788 0.22 . 1 . . . . . 76 PHE CB . 28109 1 355 . 1 . 1 76 76 PHE N N 15 120.096 0.00 . 1 . . . . . 76 PHE N . 28109 1 356 . 1 . 1 77 77 PHE H H 1 9.555 0.00 . 1 . . . . . 77 PHE H . 28109 1 357 . 1 . 1 77 77 PHE C C 13 172.278 0.01 . 1 . . . . . 77 PHE C . 28109 1 358 . 1 . 1 77 77 PHE CA C 13 54.629 0.05 . 1 . . . . . 77 PHE CA . 28109 1 359 . 1 . 1 77 77 PHE CB C 13 37.394 0.17 . 1 . . . . . 77 PHE CB . 28109 1 360 . 1 . 1 77 77 PHE N N 15 125.466 0.00 . 1 . . . . . 77 PHE N . 28109 1 361 . 1 . 1 78 78 GLU H H 1 8.948 0.00 . 1 . . . . . 78 GLU H . 28109 1 362 . 1 . 1 78 78 GLU C C 13 172.625 0.03 . 1 . . . . . 78 GLU C . 28109 1 363 . 1 . 1 78 78 GLU CA C 13 53.792 0.02 . 1 . . . . . 78 GLU CA . 28109 1 364 . 1 . 1 78 78 GLU CB C 13 27.921 0.17 . 1 . . . . . 78 GLU CB . 28109 1 365 . 1 . 1 78 78 GLU N N 15 124.259 0.00 . 1 . . . . . 78 GLU N . 28109 1 366 . 1 . 1 79 79 MET H H 1 9.338 0.00 . 1 . . . . . 79 MET H . 28109 1 367 . 1 . 1 79 79 MET C C 13 172.133 0.05 . 1 . . . . . 79 MET C . 28109 1 368 . 1 . 1 79 79 MET CA C 13 49.850 0.14 . 1 . . . . . 79 MET CA . 28109 1 369 . 1 . 1 79 79 MET CB C 13 27.524 0.27 . 1 . . . . . 79 MET CB . 28109 1 370 . 1 . 1 79 79 MET N N 15 126.456 0.00 . 1 . . . . . 79 MET N . 28109 1 371 . 1 . 1 80 80 PHE H H 1 9.523 0.00 . 1 . . . . . 80 PHE H . 28109 1 372 . 1 . 1 80 80 PHE C C 13 172.395 0.02 . 1 . . . . . 80 PHE C . 28109 1 373 . 1 . 1 80 80 PHE CA C 13 53.710 0.02 . 1 . . . . . 80 PHE CA . 28109 1 374 . 1 . 1 80 80 PHE CB C 13 42.553 0.00 . 1 . . . . . 80 PHE CB . 28109 1 375 . 1 . 1 80 80 PHE N N 15 124.781 0.00 . 1 . . . . . 80 PHE N . 28109 1 376 . 1 . 1 81 81 LYS H H 1 7.905 0.00 . 1 . . . . . 81 LYS H . 28109 1 377 . 1 . 1 81 81 LYS C C 13 169.958 0.00 . 1 . . . . . 81 LYS C . 28109 1 378 . 1 . 1 81 81 LYS CA C 13 53.163 0.05 . 1 . . . . . 81 LYS CA . 28109 1 379 . 1 . 1 81 81 LYS N N 15 125.803 0.00 . 1 . . . . . 81 LYS N . 28109 1 380 . 1 . 1 82 82 GLY H H 1 7.924 0.00 . 1 . . . . . 82 GLY H . 28109 1 381 . 1 . 1 82 82 GLY CA C 13 41.005 0.02 . 1 . . . . . 82 GLY CA . 28109 1 382 . 1 . 1 82 82 GLY N N 15 105.644 0.00 . 1 . . . . . 82 GLY N . 28109 1 383 . 1 . 1 83 83 SER C C 13 168.576 0.00 . 1 . . . . . 83 SER C . 28109 1 384 . 1 . 1 84 84 GLY H H 1 8.044 0.01 . 1 . . . . . 84 GLY H . 28109 1 385 . 1 . 1 84 84 GLY C C 13 170.753 0.00 . 1 . . . . . 84 GLY C . 28109 1 386 . 1 . 1 84 84 GLY CA C 13 39.707 0.00 . 1 . . . . . 84 GLY CA . 28109 1 387 . 1 . 1 84 84 GLY N N 15 118.736 0.02 . 1 . . . . . 84 GLY N . 28109 1 388 . 1 . 1 85 85 GLN C C 13 169.303 0.00 . 1 . . . . . 85 GLN C . 28109 1 389 . 1 . 1 85 85 GLN CA C 13 57.749 0.03 . 1 . . . . . 85 GLN CA . 28109 1 390 . 1 . 1 86 86 SER H H 1 9.087 0.01 . 1 . . . . . 86 SER H . 28109 1 391 . 1 . 1 86 86 SER C C 13 169.666 0.00 . 1 . . . . . 86 SER C . 28109 1 392 . 1 . 1 86 86 SER CA C 13 55.518 0.03 . 1 . . . . . 86 SER CA . 28109 1 393 . 1 . 1 86 86 SER CB C 13 61.313 0.00 . 1 . . . . . 86 SER CB . 28109 1 394 . 1 . 1 86 86 SER N N 15 122.814 0.01 . 1 . . . . . 86 SER N . 28109 1 395 . 1 . 1 87 87 ASP H H 1 8.133 0.00 . 1 . . . . . 87 ASP H . 28109 1 396 . 1 . 1 87 87 ASP C C 13 173.293 0.01 . 1 . . . . . 87 ASP C . 28109 1 397 . 1 . 1 87 87 ASP CA C 13 50.513 0.06 . 1 . . . . . 87 ASP CA . 28109 1 398 . 1 . 1 87 87 ASP CB C 13 39.567 0.08 . 1 . . . . . 87 ASP CB . 28109 1 399 . 1 . 1 87 87 ASP N N 15 120.118 0.00 . 1 . . . . . 87 ASP N . 28109 1 400 . 1 . 1 88 88 PHE H H 1 8.773 0.00 . 1 . . . . . 88 PHE H . 28109 1 401 . 1 . 1 88 88 PHE C C 13 173.837 0.01 . 1 . . . . . 88 PHE C . 28109 1 402 . 1 . 1 88 88 PHE CA C 13 56.303 0.05 . 1 . . . . . 88 PHE CA . 28109 1 403 . 1 . 1 88 88 PHE CB C 13 39.174 0.12 . 1 . . . . . 88 PHE CB . 28109 1 404 . 1 . 1 88 88 PHE N N 15 117.523 0.00 . 1 . . . . . 88 PHE N . 28109 1 405 . 1 . 1 89 89 SER H H 1 9.105 0.01 . 1 . . . . . 89 SER H . 28109 1 406 . 1 . 1 89 89 SER C C 13 170.941 0.00 . 1 . . . . . 89 SER C . 28109 1 407 . 1 . 1 89 89 SER CA C 13 54.023 0.03 . 1 . . . . . 89 SER CA . 28109 1 408 . 1 . 1 89 89 SER CB C 13 63.441 0.00 . 1 . . . . . 89 SER CB . 28109 1 409 . 1 . 1 89 89 SER N N 15 114.200 0.00 . 1 . . . . . 89 SER N . 28109 1 410 . 1 . 1 90 90 ASN C C 13 171.387 0.01 . 1 . . . . . 90 ASN C . 28109 1 411 . 1 . 1 90 90 ASN CA C 13 50.369 0.14 . 1 . . . . . 90 ASN CA . 28109 1 412 . 1 . 1 90 90 ASN CB C 13 35.232 0.00 . 1 . . . . . 90 ASN CB . 28109 1 413 . 1 . 1 91 91 ARG H H 1 8.751 0.01 . 1 . . . . . 91 ARG H . 28109 1 414 . 1 . 1 91 91 ARG C C 13 173.133 0.01 . 1 . . . . . 91 ARG C . 28109 1 415 . 1 . 1 91 91 ARG CA C 13 55.587 0.15 . 1 . . . . . 91 ARG CA . 28109 1 416 . 1 . 1 91 91 ARG CB C 13 30.399 0.01 . 1 . . . . . 91 ARG CB . 28109 1 417 . 1 . 1 91 91 ARG N N 15 130.039 0.00 . 1 . . . . . 91 ARG N . 28109 1 418 . 1 . 1 92 92 ARG H H 1 7.465 0.01 . 1 . . . . . 92 ARG H . 28109 1 419 . 1 . 1 92 92 ARG C C 13 172.344 0.01 . 1 . . . . . 92 ARG C . 28109 1 420 . 1 . 1 92 92 ARG CA C 13 52.555 0.04 . 1 . . . . . 92 ARG CA . 28109 1 421 . 1 . 1 92 92 ARG CB C 13 32.817 0.14 . 1 . . . . . 92 ARG CB . 28109 1 422 . 1 . 1 92 92 ARG N N 15 113.240 0.00 . 1 . . . . . 92 ARG N . 28109 1 423 . 1 . 1 93 93 THR H H 1 9.068 0.00 . 1 . . . . . 93 THR H . 28109 1 424 . 1 . 1 93 93 THR C C 13 170.383 0.02 . 1 . . . . . 93 THR C . 28109 1 425 . 1 . 1 93 93 THR CA C 13 59.388 0.13 . 1 . . . . . 93 THR CA . 28109 1 426 . 1 . 1 93 93 THR CB C 13 69.975 0.18 . 1 . . . . . 93 THR CB . 28109 1 427 . 1 . 1 93 93 THR N N 15 116.311 0.00 . 1 . . . . . 93 THR N . 28109 1 428 . 1 . 1 94 94 LEU H H 1 8.942 0.00 . 1 . . . . . 94 LEU H . 28109 1 429 . 1 . 1 94 94 LEU C C 13 171.991 0.01 . 1 . . . . . 94 LEU C . 28109 1 430 . 1 . 1 94 94 LEU CA C 13 50.954 0.04 . 1 . . . . . 94 LEU CA . 28109 1 431 . 1 . 1 94 94 LEU CB C 13 41.902 0.35 . 1 . . . . . 94 LEU CB . 28109 1 432 . 1 . 1 94 94 LEU N N 15 129.124 0.00 . 1 . . . . . 94 LEU N . 28109 1 433 . 1 . 1 95 95 THR H H 1 9.270 0.00 . 1 . . . . . 95 THR H . 28109 1 434 . 1 . 1 95 95 THR C C 13 171.891 0.05 . 1 . . . . . 95 THR C . 28109 1 435 . 1 . 1 95 95 THR CA C 13 59.442 0.06 . 1 . . . . . 95 THR CA . 28109 1 436 . 1 . 1 95 95 THR CB C 13 66.409 0.25 . 1 . . . . . 95 THR CB . 28109 1 437 . 1 . 1 95 95 THR N N 15 127.315 0.00 . 1 . . . . . 95 THR N . 28109 1 438 . 1 . 1 96 96 SER H H 1 9.384 0.00 . 1 . . . . . 96 SER H . 28109 1 439 . 1 . 1 96 96 SER C C 13 172.007 0.00 . 1 . . . . . 96 SER C . 28109 1 440 . 1 . 1 96 96 SER CA C 13 53.363 0.01 . 1 . . . . . 96 SER CA . 28109 1 441 . 1 . 1 96 96 SER CB C 13 63.412 0.00 . 1 . . . . . 96 SER CB . 28109 1 442 . 1 . 1 96 96 SER N N 15 118.842 0.00 . 1 . . . . . 96 SER N . 28109 1 443 . 1 . 1 97 97 ASN C C 13 172.717 0.01 . 1 . . . . . 97 ASN C . 28109 1 444 . 1 . 1 97 97 ASN CA C 13 53.728 0.06 . 1 . . . . . 97 ASN CA . 28109 1 445 . 1 . 1 97 97 ASN CB C 13 35.343 0.02 . 1 . . . . . 97 ASN CB . 28109 1 446 . 1 . 1 98 98 ASN H H 1 8.718 0.01 . 1 . . . . . 98 ASN H . 28109 1 447 . 1 . 1 98 98 ASN C C 13 171.774 0.00 . 1 . . . . . 98 ASN C . 28109 1 448 . 1 . 1 98 98 ASN CA C 13 51.305 0.06 . 1 . . . . . 98 ASN CA . 28109 1 449 . 1 . 1 98 98 ASN CB C 13 35.701 0.00 . 1 . . . . . 98 ASN CB . 28109 1 450 . 1 . 1 98 98 ASN N N 15 117.308 0.00 . 1 . . . . . 98 ASN N . 28109 1 451 . 1 . 1 99 99 ARG H H 1 9.476 5.34 . 1 . . . . . 99 ARG H . 28109 1 452 . 1 . 1 99 99 ARG C C 13 169.541 0.00 . 1 . . . . . 99 ARG C . 28109 1 453 . 1 . 1 99 99 ARG CA C 13 55.180 0.05 . 1 . . . . . 99 ARG CA . 28109 1 454 . 1 . 1 99 99 ARG CB C 13 34.528 0.00 . 1 . . . . . 99 ARG CB . 28109 1 455 . 1 . 1 99 99 ARG N N 15 108.787 0.00 . 1 . . . . . 99 ARG N . 28109 1 456 . 1 . 1 100 100 LEU H H 1 6.520 0.00 . 1 . . . . . 100 LEU H . 28109 1 457 . 1 . 1 100 100 LEU C C 13 173.034 0.03 . 1 . . . . . 100 LEU C . 28109 1 458 . 1 . 1 100 100 LEU CA C 13 50.328 0.03 . 1 . . . . . 100 LEU CA . 28109 1 459 . 1 . 1 100 100 LEU CB C 13 43.457 0.20 . 1 . . . . . 100 LEU CB . 28109 1 460 . 1 . 1 100 100 LEU N N 15 115.400 0.00 . 1 . . . . . 100 LEU N . 28109 1 461 . 1 . 1 101 101 VAL H H 1 8.316 0.00 . 1 . . . . . 101 VAL H . 28109 1 462 . 1 . 1 101 101 VAL C C 13 171.862 0.01 . 1 . . . . . 101 VAL C . 28109 1 463 . 1 . 1 101 101 VAL CA C 13 56.082 0.06 . 1 . . . . . 101 VAL CA . 28109 1 464 . 1 . 1 101 101 VAL CB C 13 31.346 0.00 . 1 . . . . . 101 VAL CB . 28109 1 465 . 1 . 1 101 101 VAL N N 15 113.624 0.00 . 1 . . . . . 101 VAL N . 28109 1 466 . 1 . 1 102 102 GLY H H 1 8.272 0.00 . 1 . . . . . 102 GLY H . 28109 1 467 . 1 . 1 102 102 GLY C C 13 170.450 0.01 . 1 . . . . . 102 GLY C . 28109 1 468 . 1 . 1 102 102 GLY CA C 13 42.373 0.08 . 1 . . . . . 102 GLY CA . 28109 1 469 . 1 . 1 102 102 GLY N N 15 106.148 0.00 . 1 . . . . . 102 GLY N . 28109 1 470 . 1 . 1 103 103 MET H H 1 8.941 0.00 . 1 . . . . . 103 MET H . 28109 1 471 . 1 . 1 103 103 MET C C 13 170.145 0.00 . 1 . . . . . 103 MET C . 28109 1 472 . 1 . 1 103 103 MET CA C 13 53.660 0.05 . 1 . . . . . 103 MET CA . 28109 1 473 . 1 . 1 103 103 MET CB C 13 33.913 0.05 . 1 . . . . . 103 MET CB . 28109 1 474 . 1 . 1 103 103 MET N N 15 122.841 0.00 . 1 . . . . . 103 MET N . 28109 1 475 . 1 . 1 104 104 LEU H H 1 8.694 0.00 . 1 . . . . . 104 LEU H . 28109 1 476 . 1 . 1 104 104 LEU C C 13 172.183 0.04 . 1 . . . . . 104 LEU C . 28109 1 477 . 1 . 1 104 104 LEU CA C 13 50.694 0.09 . 1 . . . . . 104 LEU CA . 28109 1 478 . 1 . 1 104 104 LEU CB C 13 40.416 0.18 . 1 . . . . . 104 LEU CB . 28109 1 479 . 1 . 1 104 104 LEU N N 15 130.150 0.00 . 1 . . . . . 104 LEU N . 28109 1 480 . 1 . 1 105 105 LYS H H 1 8.721 0.00 . 1 . . . . . 105 LYS H . 28109 1 481 . 1 . 1 105 105 LYS C C 13 171.656 0.02 . 1 . . . . . 105 LYS C . 28109 1 482 . 1 . 1 105 105 LYS CA C 13 52.641 0.08 . 1 . . . . . 105 LYS CA . 28109 1 483 . 1 . 1 105 105 LYS CB C 13 29.639 0.12 . 1 . . . . . 105 LYS CB . 28109 1 484 . 1 . 1 105 105 LYS N N 15 126.162 0.00 . 1 . . . . . 105 LYS N . 28109 1 485 . 1 . 1 106 106 TYR H H 1 9.085 0.00 . 1 . . . . . 106 TYR H . 28109 1 486 . 1 . 1 106 106 TYR C C 13 173.566 0.00 . 1 . . . . . 106 TYR C . 28109 1 487 . 1 . 1 106 106 TYR CB C 13 41.424 0.00 . 1 . . . . . 106 TYR CB . 28109 1 488 . 1 . 1 106 106 TYR N N 15 122.820 0.00 . 1 . . . . . 106 TYR N . 28109 1 489 . 1 . 1 108 108 GLY C C 13 169.596 0.00 . 1 . . . . . 108 GLY C . 28109 1 490 . 1 . 1 108 108 GLY CA C 13 42.754 0.01 . 1 . . . . . 108 GLY CA . 28109 1 491 . 1 . 1 109 109 ARG H H 1 7.459 0.01 . 1 . . . . . 109 ARG H . 28109 1 492 . 1 . 1 109 109 ARG C C 13 170.204 0.02 . 1 . . . . . 109 ARG C . 28109 1 493 . 1 . 1 109 109 ARG CA C 13 51.179 0.10 . 1 . . . . . 109 ARG CA . 28109 1 494 . 1 . 1 109 109 ARG CB C 13 32.798 0.15 . 1 . . . . . 109 ARG CB . 28109 1 495 . 1 . 1 109 109 ARG N N 15 117.741 0.00 . 1 . . . . . 109 ARG N . 28109 1 496 . 1 . 1 110 110 VAL H H 1 7.948 0.01 . 1 . . . . . 110 VAL H . 28109 1 497 . 1 . 1 110 110 VAL C C 13 173.289 0.02 . 1 . . . . . 110 VAL C . 28109 1 498 . 1 . 1 110 110 VAL CA C 13 58.022 0.20 . 1 . . . . . 110 VAL CA . 28109 1 499 . 1 . 1 110 110 VAL CB C 13 30.789 0.00 . 1 . . . . . 110 VAL CB . 28109 1 500 . 1 . 1 110 110 VAL N N 15 118.346 0.00 . 1 . . . . . 110 VAL N . 28109 1 501 . 1 . 1 111 111 TRP H H 1 10.019 0.00 . 1 . . . . . 111 TRP H . 28109 1 502 . 1 . 1 111 111 TRP C C 13 172.219 0.00 . 1 . . . . . 111 TRP C . 28109 1 503 . 1 . 1 111 111 TRP CA C 13 52.240 0.10 . 1 . . . . . 111 TRP CA . 28109 1 504 . 1 . 1 111 111 TRP CB C 13 27.204 0.13 . 1 . . . . . 111 TRP CB . 28109 1 505 . 1 . 1 111 111 TRP N N 15 131.185 0.00 . 1 . . . . . 111 TRP N . 28109 1 506 . 1 . 1 112 112 THR H H 1 8.483 0.01 . 1 . . . . . 112 THR H . 28109 1 507 . 1 . 1 112 112 THR C C 13 177.034 0.00 . 1 . . . . . 112 THR C . 28109 1 508 . 1 . 1 112 112 THR CA C 13 56.515 0.03 . 1 . . . . . 112 THR CA . 28109 1 509 . 1 . 1 112 112 THR CB C 13 70.067 0.11 . 1 . . . . . 112 THR CB . 28109 1 510 . 1 . 1 112 112 THR N N 15 111.456 0.00 . 1 . . . . . 112 THR N . 28109 1 511 . 1 . 1 113 113 PHE H H 1 8.366 0.01 . 1 . . . . . 113 PHE H . 28109 1 512 . 1 . 1 113 113 PHE C C 13 173.649 0.01 . 1 . . . . . 113 PHE C . 28109 1 513 . 1 . 1 113 113 PHE CA C 13 54.629 0.02 . 1 . . . . . 113 PHE CA . 28109 1 514 . 1 . 1 113 113 PHE CB C 13 39.963 0.01 . 1 . . . . . 113 PHE CB . 28109 1 515 . 1 . 1 113 113 PHE N N 15 115.543 0.00 . 1 . . . . . 113 PHE N . 28109 1 516 . 1 . 1 114 114 HIS H H 1 9.858 0.00 . 1 . . . . . 114 HIS H . 28109 1 517 . 1 . 1 114 114 HIS C C 13 169.697 0.00 . 1 . . . . . 114 HIS C . 28109 1 518 . 1 . 1 114 114 HIS CA C 13 52.179 0.07 . 1 . . . . . 114 HIS CA . 28109 1 519 . 1 . 1 114 114 HIS CB C 13 32.321 0.05 . 1 . . . . . 114 HIS CB . 28109 1 520 . 1 . 1 114 114 HIS N N 15 119.427 0.00 . 1 . . . . . 114 HIS N . 28109 1 521 . 1 . 1 115 115 GLY H H 1 8.724 0.00 . 1 . . . . . 115 GLY H . 28109 1 522 . 1 . 1 115 115 GLY C C 13 170.069 0.01 . 1 . . . . . 115 GLY C . 28109 1 523 . 1 . 1 115 115 GLY CA C 13 40.891 0.05 . 1 . . . . . 115 GLY CA . 28109 1 524 . 1 . 1 115 115 GLY N N 15 106.413 0.00 . 1 . . . . . 115 GLY N . 28109 1 525 . 1 . 1 116 116 GLU H H 1 8.640 0.00 . 1 . . . . . 116 GLU H . 28109 1 526 . 1 . 1 116 116 GLU C C 13 174.496 0.04 . 1 . . . . . 116 GLU C . 28109 1 527 . 1 . 1 116 116 GLU CA C 13 51.279 0.04 . 1 . . . . . 116 GLU CA . 28109 1 528 . 1 . 1 116 116 GLU CB C 13 28.104 0.07 . 1 . . . . . 116 GLU CB . 28109 1 529 . 1 . 1 116 116 GLU N N 15 122.354 0.00 . 1 . . . . . 116 GLU N . 28109 1 530 . 1 . 1 117 117 THR H H 1 8.606 0.00 . 1 . . . . . 117 THR H . 28109 1 531 . 1 . 1 117 117 THR C C 13 169.886 0.00 . 1 . . . . . 117 THR C . 28109 1 532 . 1 . 1 117 117 THR CA C 13 58.945 0.01 . 1 . . . . . 117 THR CA . 28109 1 533 . 1 . 1 117 117 THR CB C 13 64.527 0.00 . 1 . . . . . 117 THR CB . 28109 1 534 . 1 . 1 117 117 THR N N 15 119.408 0.00 . 1 . . . . . 117 THR N . 28109 1 535 . 1 . 1 118 118 PRO C C 13 172.068 0.00 . 1 . . . . . 118 PRO C . 28109 1 536 . 1 . 1 118 118 PRO CA C 13 61.174 0.02 . 1 . . . . . 118 PRO CA . 28109 1 537 . 1 . 1 118 118 PRO CB C 13 37.308 0.05 . 1 . . . . . 118 PRO CB . 28109 1 538 . 1 . 1 119 119 ARG H H 1 8.846 0.00 . 1 . . . . . 119 ARG H . 28109 1 539 . 1 . 1 119 119 ARG C C 13 173.509 0.00 . 1 . . . . . 119 ARG C . 28109 1 540 . 1 . 1 119 119 ARG CA C 13 51.898 0.04 . 1 . . . . . 119 ARG CA . 28109 1 541 . 1 . 1 119 119 ARG CB C 13 26.820 0.10 . 1 . . . . . 119 ARG CB . 28109 1 542 . 1 . 1 119 119 ARG N N 15 124.208 0.00 . 1 . . . . . 119 ARG N . 28109 1 543 . 1 . 1 120 120 ALA H H 1 9.182 0.00 . 1 . . . . . 120 ALA H . 28109 1 544 . 1 . 1 120 120 ALA C C 13 175.617 0.01 . 1 . . . . . 120 ALA C . 28109 1 545 . 1 . 1 120 120 ALA CA C 13 50.597 0.11 . 1 . . . . . 120 ALA CA . 28109 1 546 . 1 . 1 120 120 ALA CB C 13 17.014 0.08 . 1 . . . . . 120 ALA CB . 28109 1 547 . 1 . 1 120 120 ALA N N 15 126.298 0.00 . 1 . . . . . 120 ALA N . 28109 1 548 . 1 . 1 121 121 THR H H 1 8.595 0.00 . 1 . . . . . 121 THR H . 28109 1 549 . 1 . 1 121 121 THR C C 13 170.889 0.05 . 1 . . . . . 121 THR C . 28109 1 550 . 1 . 1 121 121 THR CA C 13 56.812 0.16 . 1 . . . . . 121 THR CA . 28109 1 551 . 1 . 1 121 121 THR CB C 13 69.388 0.04 . 1 . . . . . 121 THR CB . 28109 1 552 . 1 . 1 121 121 THR N N 15 112.760 0.00 . 1 . . . . . 121 THR N . 28109 1 553 . 1 . 1 122 122 THR H H 1 8.088 0.00 . 1 . . . . . 122 THR H . 28109 1 554 . 1 . 1 122 122 THR C C 13 172.671 0.03 . 1 . . . . . 122 THR C . 28109 1 555 . 1 . 1 122 122 THR CA C 13 57.546 0.04 . 1 . . . . . 122 THR CA . 28109 1 556 . 1 . 1 122 122 THR CB C 13 69.313 0.10 . 1 . . . . . 122 THR CB . 28109 1 557 . 1 . 1 122 122 THR N N 15 109.958 0.00 . 1 . . . . . 122 THR N . 28109 1 558 . 1 . 1 123 123 ASP H H 1 9.012 0.00 . 1 . . . . . 123 ASP H . 28109 1 559 . 1 . 1 123 123 ASP C C 13 171.423 0.04 . 1 . . . . . 123 ASP C . 28109 1 560 . 1 . 1 123 123 ASP CA C 13 50.313 0.06 . 1 . . . . . 123 ASP CA . 28109 1 561 . 1 . 1 123 123 ASP CB C 13 42.296 0.14 . 1 . . . . . 123 ASP CB . 28109 1 562 . 1 . 1 123 123 ASP N N 15 118.590 0.00 . 1 . . . . . 123 ASP N . 28109 1 563 . 1 . 1 124 124 SER H H 1 7.662 0.00 . 1 . . . . . 124 SER H . 28109 1 564 . 1 . 1 124 124 SER C C 13 170.872 0.01 . 1 . . . . . 124 SER C . 28109 1 565 . 1 . 1 124 124 SER CA C 13 53.350 0.09 . 1 . . . . . 124 SER CA . 28109 1 566 . 1 . 1 124 124 SER CB C 13 62.841 0.09 . 1 . . . . . 124 SER CB . 28109 1 567 . 1 . 1 124 124 SER N N 15 113.434 0.00 . 1 . . . . . 124 SER N . 28109 1 568 . 1 . 1 125 125 SER H H 1 8.480 0.00 . 1 . . . . . 125 SER H . 28109 1 569 . 1 . 1 125 125 SER C C 13 170.990 0.00 . 1 . . . . . 125 SER C . 28109 1 570 . 1 . 1 125 125 SER CA C 13 54.172 0.17 . 1 . . . . . 125 SER CA . 28109 1 571 . 1 . 1 125 125 SER CB C 13 63.582 0.00 . 1 . . . . . 125 SER CB . 28109 1 572 . 1 . 1 125 125 SER N N 15 114.968 0.00 . 1 . . . . . 125 SER N . 28109 1 573 . 1 . 1 126 126 ASN H H 1 8.347 0.01 . 1 . . . . . 126 ASN H . 28109 1 574 . 1 . 1 126 126 ASN C C 13 173.741 0.00 . 1 . . . . . 126 ASN C . 28109 1 575 . 1 . 1 126 126 ASN CA C 13 54.859 0.02 . 1 . . . . . 126 ASN CA . 28109 1 576 . 1 . 1 126 126 ASN CB C 13 40.089 0.00 . 1 . . . . . 126 ASN CB . 28109 1 577 . 1 . 1 126 126 ASN N N 15 115.494 0.02 . 1 . . . . . 126 ASN N . 28109 1 578 . 1 . 1 127 127 THR C C 13 172.115 0.00 . 1 . . . . . 127 THR C . 28109 1 579 . 1 . 1 127 127 THR CA C 13 57.845 0.00 . 1 . . . . . 127 THR CA . 28109 1 580 . 1 . 1 127 127 THR CB C 13 70.642 0.00 . 1 . . . . . 127 THR CB . 28109 1 581 . 1 . 1 128 128 ALA H H 1 8.738 0.00 . 1 . . . . . 128 ALA H . 28109 1 582 . 1 . 1 128 128 ALA C C 13 174.880 0.00 . 1 . . . . . 128 ALA C . 28109 1 583 . 1 . 1 128 128 ALA CA C 13 49.185 0.05 . 1 . . . . . 128 ALA CA . 28109 1 584 . 1 . 1 128 128 ALA CB C 13 16.347 0.10 . 1 . . . . . 128 ALA CB . 28109 1 585 . 1 . 1 128 128 ALA N N 15 126.729 0.00 . 1 . . . . . 128 ALA N . 28109 1 586 . 1 . 1 129 129 ASP H H 1 8.587 0.0048 . 1 . . . . . 129 ASP H . 28109 1 587 . 1 . 1 129 129 ASP C C 13 172.332 0.02 . 1 . . . . . 129 ASP C . 28109 1 588 . 1 . 1 129 129 ASP CA C 13 49.862 0.02 . 1 . . . . . 129 ASP CA . 28109 1 589 . 1 . 1 129 129 ASP CB C 13 38.001 0.08 . 1 . . . . . 129 ASP CB . 28109 1 590 . 1 . 1 129 129 ASP N N 15 120.808 0.00 . 1 . . . . . 129 ASP N . 28109 1 591 . 1 . 1 130 130 LEU H H 1 8.379 0.00 . 1 . . . . . 130 LEU H . 28109 1 592 . 1 . 1 130 130 LEU C C 13 176.952 0.00 . 1 . . . . . 130 LEU C . 28109 1 593 . 1 . 1 130 130 LEU CA C 13 53.965 0.00 . 1 . . . . . 130 LEU CA . 28109 1 594 . 1 . 1 130 130 LEU CB C 13 40.529 0.00 . 1 . . . . . 130 LEU CB . 28109 1 595 . 1 . 1 130 130 LEU N N 15 124.494 0.00 . 1 . . . . . 130 LEU N . 28109 1 596 . 1 . 1 131 131 ASN H H 1 9.405 0.00 . 1 . . . . . 131 ASN H . 28109 1 597 . 1 . 1 131 131 ASN C C 13 174.447 0.00 . 1 . . . . . 131 ASN C . 28109 1 598 . 1 . 1 131 131 ASN CA C 13 53.092 0.04 . 1 . . . . . 131 ASN CA . 28109 1 599 . 1 . 1 131 131 ASN CB C 13 34.088 0.00 . 1 . . . . . 131 ASN CB . 28109 1 600 . 1 . 1 131 131 ASN N N 15 115.589 0.00 . 1 . . . . . 131 ASN N . 28109 1 601 . 1 . 1 132 132 ASN H H 1 7.054 0.00 . 1 . . . . . 132 ASN H . 28109 1 602 . 1 . 1 132 132 ASN C C 13 172.037 0.01 . 1 . . . . . 132 ASN C . 28109 1 603 . 1 . 1 132 132 ASN CA C 13 50.545 0.02 . 1 . . . . . 132 ASN CA . 28109 1 604 . 1 . 1 132 132 ASN CB C 13 35.370 0.17 . 1 . . . . . 132 ASN CB . 28109 1 605 . 1 . 1 132 132 ASN N N 15 112.036 0.00 . 1 . . . . . 132 ASN N . 28109 1 606 . 1 . 1 133 133 ILE H H 1 7.162 0.01 . 1 . . . . . 133 ILE H . 28109 1 607 . 1 . 1 133 133 ILE C C 13 172.231 0.01 . 1 . . . . . 133 ILE C . 28109 1 608 . 1 . 1 133 133 ILE CA C 13 60.872 0.06 . 1 . . . . . 133 ILE CA . 28109 1 609 . 1 . 1 133 133 ILE CB C 13 34.154 0.07 . 1 . . . . . 133 ILE CB . 28109 1 610 . 1 . 1 133 133 ILE N N 15 119.130 0.00 . 1 . . . . . 133 ILE N . 28109 1 611 . 1 . 1 134 134 SER H H 1 8.465 0.00 . 1 . . . . . 134 SER H . 28109 1 612 . 1 . 1 134 134 SER C C 13 169.278 0.05 . 1 . . . . . 134 SER C . 28109 1 613 . 1 . 1 134 134 SER CA C 13 54.044 0.04 . 1 . . . . . 134 SER CA . 28109 1 614 . 1 . 1 134 134 SER CB C 13 62.908 0.05 . 1 . . . . . 134 SER CB . 28109 1 615 . 1 . 1 134 134 SER N N 15 126.309 0.01 . 1 . . . . . 134 SER N . 28109 1 616 . 1 . 1 135 135 ILE H H 1 9.096 0.01 . 1 . . . . . 135 ILE H . 28109 1 617 . 1 . 1 135 135 ILE C C 13 168.382 0.01 . 1 . . . . . 135 ILE C . 28109 1 618 . 1 . 1 135 135 ILE CA C 13 57.750 0.14 . 1 . . . . . 135 ILE CA . 28109 1 619 . 1 . 1 135 135 ILE CB C 13 38.915 0.00 . 1 . . . . . 135 ILE CB . 28109 1 620 . 1 . 1 135 135 ILE N N 15 122.989 0.12 . 1 . . . . . 135 ILE N . 28109 1 621 . 1 . 1 136 136 ILE H H 1 8.768 0.00 . 1 . . . . . 136 ILE H . 28109 1 622 . 1 . 1 136 136 ILE C C 13 172.882 0.05 . 1 . . . . . 136 ILE C . 28109 1 623 . 1 . 1 136 136 ILE CA C 13 58.334 0.08 . 1 . . . . . 136 ILE CA . 28109 1 624 . 1 . 1 136 136 ILE CB C 13 40.043 0.00 . 1 . . . . . 136 ILE CB . 28109 1 625 . 1 . 1 136 136 ILE N N 15 127.331 0.00 . 1 . . . . . 136 ILE N . 28109 1 626 . 1 . 1 137 137 ILE H H 1 8.597 0.00 . 1 . . . . . 137 ILE H . 28109 1 627 . 1 . 1 137 137 ILE C C 13 174.017 0.00 . 1 . . . . . 137 ILE C . 28109 1 628 . 1 . 1 137 137 ILE CA C 13 59.220 0.04 . 1 . . . . . 137 ILE CA . 28109 1 629 . 1 . 1 137 137 ILE CB C 13 37.008 0.00 . 1 . . . . . 137 ILE CB . 28109 1 630 . 1 . 1 137 137 ILE N N 15 125.887 0.00 . 1 . . . . . 137 ILE N . 28109 1 631 . 1 . 1 138 138 HIS H H 1 7.954 0.00 . 1 . . . . . 138 HIS H . 28109 1 632 . 1 . 1 138 138 HIS C C 13 171.493 0.00 . 1 . . . . . 138 HIS C . 28109 1 633 . 1 . 1 138 138 HIS CA C 13 54.475 0.13 . 1 . . . . . 138 HIS CA . 28109 1 634 . 1 . 1 138 138 HIS CB C 13 27.575 0.00 . 1 . . . . . 138 HIS CB . 28109 1 635 . 1 . 1 138 138 HIS N N 15 123.359 0.00 . 1 . . . . . 138 HIS N . 28109 1 636 . 1 . 1 139 139 SER H H 1 7.427 0.00 . 1 . . . . . 139 SER H . 28109 1 637 . 1 . 1 139 139 SER C C 13 168.639 0.01 . 1 . . . . . 139 SER C . 28109 1 638 . 1 . 1 139 139 SER CA C 13 54.408 0.03 . 1 . . . . . 139 SER CA . 28109 1 639 . 1 . 1 139 139 SER CB C 13 63.172 0.09 . 1 . . . . . 139 SER CB . 28109 1 640 . 1 . 1 139 139 SER N N 15 115.627 0.00 . 1 . . . . . 139 SER N . 28109 1 641 . 1 . 1 140 140 GLU H H 1 7.963 0.00 . 1 . . . . . 140 GLU H . 28109 1 642 . 1 . 1 140 140 GLU C C 13 173.472 0.01 . 1 . . . . . 140 GLU C . 28109 1 643 . 1 . 1 140 140 GLU CA C 13 53.942 0.05 . 1 . . . . . 140 GLU CA . 28109 1 644 . 1 . 1 140 140 GLU CB C 13 27.887 0.11 . 1 . . . . . 140 GLU CB . 28109 1 645 . 1 . 1 140 140 GLU N N 15 116.337 0.00 . 1 . . . . . 140 GLU N . 28109 1 646 . 1 . 1 141 141 PHE H H 1 8.085 0.00 . 1 . . . . . 141 PHE H . 28109 1 647 . 1 . 1 141 141 PHE C C 13 168.517 0.02 . 1 . . . . . 141 PHE C . 28109 1 648 . 1 . 1 141 141 PHE CA C 13 52.393 0.03 . 1 . . . . . 141 PHE CA . 28109 1 649 . 1 . 1 141 141 PHE CB C 13 40.740 0.26 . 1 . . . . . 141 PHE CB . 28109 1 650 . 1 . 1 141 141 PHE N N 15 113.992 0.00 . 1 . . . . . 141 PHE N . 28109 1 651 . 1 . 1 142 142 TYR H H 1 9.578 0.00 . 1 . . . . . 142 TYR H . 28109 1 652 . 1 . 1 142 142 TYR C C 13 172.154 0.00 . 1 . . . . . 142 TYR C . 28109 1 653 . 1 . 1 142 142 TYR CA C 13 53.098 0.03 . 1 . . . . . 142 TYR CA . 28109 1 654 . 1 . 1 142 142 TYR CB C 13 40.110 0.33 . 1 . . . . . 142 TYR CB . 28109 1 655 . 1 . 1 142 142 TYR N N 15 118.105 0.00 . 1 . . . . . 142 TYR N . 28109 1 656 . 1 . 1 143 143 ILE H H 1 9.016 0.00 . 1 . . . . . 143 ILE H . 28109 1 657 . 1 . 1 143 143 ILE C C 13 173.672 0.02 . 1 . . . . . 143 ILE C . 28109 1 658 . 1 . 1 143 143 ILE CA C 13 58.310 0.07 . 1 . . . . . 143 ILE CA . 28109 1 659 . 1 . 1 143 143 ILE CB C 13 37.256 0.00 . 1 . . . . . 143 ILE CB . 28109 1 660 . 1 . 1 143 143 ILE N N 15 119.911 0.01 . 1 . . . . . 143 ILE N . 28109 1 661 . 1 . 1 144 144 ILE H H 1 9.479 0.00 . 1 . . . . . 144 ILE H . 28109 1 662 . 1 . 1 144 144 ILE C C 13 170.484 0.00 . 1 . . . . . 144 ILE C . 28109 1 663 . 1 . 1 144 144 ILE CA C 13 55.615 0.05 . 1 . . . . . 144 ILE CA . 28109 1 664 . 1 . 1 144 144 ILE CB C 13 41.174 0.00 . 1 . . . . . 144 ILE CB . 28109 1 665 . 1 . 1 144 144 ILE N N 15 127.556 0.00 . 1 . . . . . 144 ILE N . 28109 1 666 . 1 . 1 145 145 PRO C C 13 174.915 0.00 . 1 . . . . . 145 PRO C . 28109 1 667 . 1 . 1 145 145 PRO CA C 13 61.033 0.03 . 1 . . . . . 145 PRO CA . 28109 1 668 . 1 . 1 145 145 PRO CB C 13 29.218 0.00 . 1 . . . . . 145 PRO CB . 28109 1 669 . 1 . 1 146 146 ARG H H 1 7.899 0.00 . 1 . . . . . 146 ARG H . 28109 1 670 . 1 . 1 146 146 ARG CA C 13 57.338 0.03 . 1 . . . . . 146 ARG CA . 28109 1 671 . 1 . 1 146 146 ARG CB C 13 26.564 0.00 . 1 . . . . . 146 ARG CB . 28109 1 672 . 1 . 1 146 146 ARG N N 15 121.637 0.00 . 1 . . . . . 146 ARG N . 28109 1 673 . 1 . 1 147 147 SER C C 13 173.041 0.00 . 1 . . . . . 147 SER C . 28109 1 674 . 1 . 1 147 147 SER CA C 13 57.570 0.02 . 1 . . . . . 147 SER CA . 28109 1 675 . 1 . 1 147 147 SER CB C 13 59.047 0.04 . 1 . . . . . 147 SER CB . 28109 1 676 . 1 . 1 148 148 GLN H H 1 7.904 0.00 . 1 . . . . . 148 GLN H . 28109 1 677 . 1 . 1 148 148 GLN C C 13 173.426 0.03 . 1 . . . . . 148 GLN C . 28109 1 678 . 1 . 1 148 148 GLN CA C 13 51.416 0.10 . 1 . . . . . 148 GLN CA . 28109 1 679 . 1 . 1 148 148 GLN CB C 13 24.356 0.07 . 1 . . . . . 148 GLN CB . 28109 1 680 . 1 . 1 148 148 GLN N N 15 120.947 0.00 . 1 . . . . . 148 GLN N . 28109 1 681 . 1 . 1 149 149 GLU H H 1 7.654 0.00 . 1 . . . . . 149 GLU H . 28109 1 682 . 1 . 1 149 149 GLU C C 13 174.292 0.00 . 1 . . . . . 149 GLU C . 28109 1 683 . 1 . 1 149 149 GLU CA C 13 57.830 0.01 . 1 . . . . . 149 GLU CA . 28109 1 684 . 1 . 1 149 149 GLU CB C 13 27.474 0.00 . 1 . . . . . 149 GLU CB . 28109 1 685 . 1 . 1 149 149 GLU N N 15 121.936 0.00 . 1 . . . . . 149 GLU N . 28109 1 686 . 1 . 1 150 150 SER C C 13 174.493 0.00 . 1 . . . . . 150 SER C . 28109 1 687 . 1 . 1 150 150 SER CA C 13 58.904 0.09 . 1 . . . . . 150 SER CA . 28109 1 688 . 1 . 1 151 151 LYS H H 1 7.330 0.00 . 1 . . . . . 151 LYS H . 28109 1 689 . 1 . 1 151 151 LYS C C 13 174.055 0.05 . 1 . . . . . 151 LYS C . 28109 1 690 . 1 . 1 151 151 LYS CA C 13 54.377 0.04 . 1 . . . . . 151 LYS CA . 28109 1 691 . 1 . 1 151 151 LYS CB C 13 27.773 0.17 . 1 . . . . . 151 LYS CB . 28109 1 692 . 1 . 1 151 151 LYS N N 15 122.322 0.00 . 1 . . . . . 151 LYS N . 28109 1 693 . 1 . 1 152 152 CYS H H 1 7.252 0.00 . 1 . . . . . 152 CYS H . 28109 1 694 . 1 . 1 152 152 CYS C C 13 172.266 0.04 . 1 . . . . . 152 CYS C . 28109 1 695 . 1 . 1 152 152 CYS CA C 13 59.677 0.07 . 1 . . . . . 152 CYS CA . 28109 1 696 . 1 . 1 152 152 CYS CB C 13 22.611 0.02 . 1 . . . . . 152 CYS CB . 28109 1 697 . 1 . 1 152 152 CYS N N 15 117.694 0.00 . 1 . . . . . 152 CYS N . 28109 1 698 . 1 . 1 153 153 ASN H H 1 8.269 0.00 . 1 . . . . . 153 ASN H . 28109 1 699 . 1 . 1 153 153 ASN C C 13 173.889 0.02 . 1 . . . . . 153 ASN C . 28109 1 700 . 1 . 1 153 153 ASN CA C 13 54.007 0.05 . 1 . . . . . 153 ASN CA . 28109 1 701 . 1 . 1 153 153 ASN CB C 13 35.886 0.18 . 1 . . . . . 153 ASN CB . 28109 1 702 . 1 . 1 153 153 ASN N N 15 115.690 0.00 . 1 . . . . . 153 ASN N . 28109 1 703 . 1 . 1 154 154 GLU H H 1 7.294 0.00 . 1 . . . . . 154 GLU H . 28109 1 704 . 1 . 1 154 154 GLU C C 13 176.238 0.01 . 1 . . . . . 154 GLU C . 28109 1 705 . 1 . 1 154 154 GLU CA C 13 56.900 0.06 . 1 . . . . . 154 GLU CA . 28109 1 706 . 1 . 1 154 154 GLU CB C 13 25.875 0.23 . 1 . . . . . 154 GLU CB . 28109 1 707 . 1 . 1 154 154 GLU N N 15 119.295 0.00 . 1 . . . . . 154 GLU N . 28109 1 708 . 1 . 1 155 155 TYR H H 1 7.969 0.00 . 1 . . . . . 155 TYR H . 28109 1 709 . 1 . 1 155 155 TYR C C 13 175.957 0.03 . 1 . . . . . 155 TYR C . 28109 1 710 . 1 . 1 155 155 TYR CA C 13 55.882 0.05 . 1 . . . . . 155 TYR CA . 28109 1 711 . 1 . 1 155 155 TYR CB C 13 33.685 0.18 . 1 . . . . . 155 TYR CB . 28109 1 712 . 1 . 1 155 155 TYR N N 15 119.598 0.00 . 1 . . . . . 155 TYR N . 28109 1 713 . 1 . 1 156 156 ILE H H 1 8.007 0.00 . 1 . . . . . 156 ILE H . 28109 1 714 . 1 . 1 156 156 ILE C C 13 175.916 0.02 . 1 . . . . . 156 ILE C . 28109 1 715 . 1 . 1 156 156 ILE CA C 13 59.754 0.09 . 1 . . . . . 156 ILE CA . 28109 1 716 . 1 . 1 156 156 ILE CB C 13 31.962 0.00 . 1 . . . . . 156 ILE CB . 28109 1 717 . 1 . 1 156 156 ILE N N 15 118.235 0.00 . 1 . . . . . 156 ILE N . 28109 1 718 . 1 . 1 157 157 ASN H H 1 7.641 0.01 . 1 . . . . . 157 ASN H . 28109 1 719 . 1 . 1 157 157 ASN C C 13 173.355 0.00 . 1 . . . . . 157 ASN C . 28109 1 720 . 1 . 1 157 157 ASN CA C 13 53.686 0.02 . 1 . . . . . 157 ASN CA . 28109 1 721 . 1 . 1 157 157 ASN CB C 13 37.507 0.00 . 1 . . . . . 157 ASN CB . 28109 1 722 . 1 . 1 157 157 ASN N N 15 113.103 0.00 . 1 . . . . . 157 ASN N . 28109 1 723 . 1 . 1 158 158 ASN H H 1 8.722 0.00 . 1 . . . . . 158 ASN H . 28109 1 724 . 1 . 1 158 158 ASN C C 13 172.727 0.00 . 1 . . . . . 158 ASN C . 28109 1 725 . 1 . 1 158 158 ASN CA C 13 50.602 0.00 . 1 . . . . . 158 ASN CA . 28109 1 726 . 1 . 1 158 158 ASN CB C 13 38.224 0.00 . 1 . . . . . 158 ASN CB . 28109 1 727 . 1 . 1 158 158 ASN N N 15 117.308 0.00 . 1 . . . . . 158 ASN N . 28109 1 728 . 1 . 1 159 159 GLY H H 1 8.232 0.01 . 1 . . . . . 159 GLY H . 28109 1 729 . 1 . 1 159 159 GLY C C 13 168.860 0.01 . 1 . . . . . 159 GLY C . 28109 1 730 . 1 . 1 159 159 GLY CA C 13 41.771 0.05 . 1 . . . . . 159 GLY CA . 28109 1 731 . 1 . 1 159 159 GLY N N 15 111.137 0.00 . 1 . . . . . 159 GLY N . 28109 1 732 . 1 . 1 160 160 LEU H H 1 7.507 0.0018 . 1 . . . . . 160 LEU H . 28109 1 733 . 1 . 1 160 160 LEU CA C 13 54.075 0.04 . 1 . . . . . 160 LEU CA . 28109 1 734 . 1 . 1 160 160 LEU CB C 13 40.488 0.00 . 1 . . . . . 160 LEU CB . 28109 1 735 . 1 . 1 160 160 LEU N N 15 122.748 0.00 . 1 . . . . . 160 LEU N . 28109 1 stop_ save_