data_27352 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27352 _Entry.Title ; Backbone 1H, 13C, and 15N assignments of the extracellular region of human Fc receptor IIIb ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-01-04 _Entry.Accession_date 2018-01-04 _Entry.Last_release_date 2018-01-04 _Entry.Original_release_date 2018-01-04 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 Rina Yogo . . . . 27352 2 Saeko Yanaka . . . . 27352 3 Koichi Kato . . . . 27352 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27352 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 501 27352 '15N chemical shifts' 167 27352 '1H chemical shifts' 167 27352 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 . . 2018-05-24 2018-01-04 update BMRB 'update entry citation' 27352 1 . . 2018-02-20 2018-01-04 original author 'original release' 27352 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27352 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29453714 _Citation.Full_citation . _Citation.Title ; Backbone 1H, 13C, and 15N assignments of the extracellular region of human Fcgammaa receptor IIIb ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 201 _Citation.Page_last 204 _Citation.Year 2018 _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 Rina Yogo . . . . 27352 1 2 Saeko Yanaka . . . . 27352 1 3 Koichi Kato . . . . 27352 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27352 _Assembly.ID 1 _Assembly.Name 'Fc receptor IIIb' _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 'Fc receptor IIIb' 1 $Fc_receptor_IIIb A . yes native no no . . . 27352 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 31 31 SG . 1 . 1 CYS 73 73 SG . . . . . . . . . . . . 27352 1 2 disulfide single . 1 . 1 CYS 112 112 SG . 1 . 1 CYS 156 156 SG . . . . . . . . . . . . 27352 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Fc_receptor_IIIb _Entity.Sf_category entity _Entity.Sf_framecode Fc_receptor_IIIb _Entity.Entry_ID 27352 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Fc_receptor_IIIb _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 ; MARTEDLPKAVVFLEPQWYS VLEKDSVTLKCQGAYSPEDN STQWFHNESLISSQASSYFI DAATVNDSGEYRCQTNLSTL SDPVQLEVHIGWLLLQAPRW VFKEEDPIHLRCHSWKNTAL HKVTYLQNGKDRKYFHHNSD FHIPKATLKDSGSYFCRGLV GSKNVSSETVNITITQAAAL EHHHHHH ; _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 187 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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 . MET . 27352 1 2 . ALA . 27352 1 3 . ARG . 27352 1 4 . THR . 27352 1 5 . GLU . 27352 1 6 . ASP . 27352 1 7 . LEU . 27352 1 8 . PRO . 27352 1 9 . LYS . 27352 1 10 . ALA . 27352 1 11 . VAL . 27352 1 12 . VAL . 27352 1 13 . PHE . 27352 1 14 . LEU . 27352 1 15 . GLU . 27352 1 16 . PRO . 27352 1 17 . GLN . 27352 1 18 . TRP . 27352 1 19 . TYR . 27352 1 20 . SER . 27352 1 21 . VAL . 27352 1 22 . LEU . 27352 1 23 . GLU . 27352 1 24 . LYS . 27352 1 25 . ASP . 27352 1 26 . SER . 27352 1 27 . VAL . 27352 1 28 . THR . 27352 1 29 . LEU . 27352 1 30 . LYS . 27352 1 31 . CYS . 27352 1 32 . GLN . 27352 1 33 . GLY . 27352 1 34 . ALA . 27352 1 35 . TYR . 27352 1 36 . SER . 27352 1 37 . PRO . 27352 1 38 . GLU . 27352 1 39 . ASP . 27352 1 40 . ASN . 27352 1 41 . SER . 27352 1 42 . THR . 27352 1 43 . GLN . 27352 1 44 . TRP . 27352 1 45 . PHE . 27352 1 46 . HIS . 27352 1 47 . ASN . 27352 1 48 . GLU . 27352 1 49 . SER . 27352 1 50 . LEU . 27352 1 51 . ILE . 27352 1 52 . SER . 27352 1 53 . SER . 27352 1 54 . GLN . 27352 1 55 . ALA . 27352 1 56 . SER . 27352 1 57 . SER . 27352 1 58 . TYR . 27352 1 59 . PHE . 27352 1 60 . ILE . 27352 1 61 . ASP . 27352 1 62 . ALA . 27352 1 63 . ALA . 27352 1 64 . THR . 27352 1 65 . VAL . 27352 1 66 . ASN . 27352 1 67 . ASP . 27352 1 68 . SER . 27352 1 69 . GLY . 27352 1 70 . GLU . 27352 1 71 . TYR . 27352 1 72 . ARG . 27352 1 73 . CYS . 27352 1 74 . GLN . 27352 1 75 . THR . 27352 1 76 . ASN . 27352 1 77 . LEU . 27352 1 78 . SER . 27352 1 79 . THR . 27352 1 80 . LEU . 27352 1 81 . SER . 27352 1 82 . ASP . 27352 1 83 . PRO . 27352 1 84 . VAL . 27352 1 85 . GLN . 27352 1 86 . LEU . 27352 1 87 . GLU . 27352 1 88 . VAL . 27352 1 89 . HIS . 27352 1 90 . ILE . 27352 1 91 . GLY . 27352 1 92 . TRP . 27352 1 93 . LEU . 27352 1 94 . LEU . 27352 1 95 . LEU . 27352 1 96 . GLN . 27352 1 97 . ALA . 27352 1 98 . PRO . 27352 1 99 . ARG . 27352 1 100 . TRP . 27352 1 101 . VAL . 27352 1 102 . PHE . 27352 1 103 . LYS . 27352 1 104 . GLU . 27352 1 105 . GLU . 27352 1 106 . ASP . 27352 1 107 . PRO . 27352 1 108 . ILE . 27352 1 109 . HIS . 27352 1 110 . LEU . 27352 1 111 . ARG . 27352 1 112 . CYS . 27352 1 113 . HIS . 27352 1 114 . SER . 27352 1 115 . TRP . 27352 1 116 . LYS . 27352 1 117 . ASN . 27352 1 118 . THR . 27352 1 119 . ALA . 27352 1 120 . LEU . 27352 1 121 . HIS . 27352 1 122 . LYS . 27352 1 123 . VAL . 27352 1 124 . THR . 27352 1 125 . TYR . 27352 1 126 . LEU . 27352 1 127 . GLN . 27352 1 128 . ASN . 27352 1 129 . GLY . 27352 1 130 . LYS . 27352 1 131 . ASP . 27352 1 132 . ARG . 27352 1 133 . LYS . 27352 1 134 . TYR . 27352 1 135 . PHE . 27352 1 136 . HIS . 27352 1 137 . HIS . 27352 1 138 . ASN . 27352 1 139 . SER . 27352 1 140 . ASP . 27352 1 141 . PHE . 27352 1 142 . HIS . 27352 1 143 . ILE . 27352 1 144 . PRO . 27352 1 145 . LYS . 27352 1 146 . ALA . 27352 1 147 . THR . 27352 1 148 . LEU . 27352 1 149 . LYS . 27352 1 150 . ASP . 27352 1 151 . SER . 27352 1 152 . GLY . 27352 1 153 . SER . 27352 1 154 . TYR . 27352 1 155 . PHE . 27352 1 156 . CYS . 27352 1 157 . ARG . 27352 1 158 . GLY . 27352 1 159 . LEU . 27352 1 160 . VAL . 27352 1 161 . GLY . 27352 1 162 . SER . 27352 1 163 . LYS . 27352 1 164 . ASN . 27352 1 165 . VAL . 27352 1 166 . SER . 27352 1 167 . SER . 27352 1 168 . GLU . 27352 1 169 . THR . 27352 1 170 . VAL . 27352 1 171 . ASN . 27352 1 172 . ILE . 27352 1 173 . THR . 27352 1 174 . ILE . 27352 1 175 . THR . 27352 1 176 . GLN . 27352 1 177 . ALA . 27352 1 178 . ALA . 27352 1 179 . ALA . 27352 1 180 . LEU . 27352 1 181 . GLU . 27352 1 182 . HIS . 27352 1 183 . HIS . 27352 1 184 . HIS . 27352 1 185 . HIS . 27352 1 186 . HIS . 27352 1 187 . HIS . 27352 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 . MET 1 1 27352 1 . ALA 2 2 27352 1 . ARG 3 3 27352 1 . THR 4 4 27352 1 . GLU 5 5 27352 1 . ASP 6 6 27352 1 . LEU 7 7 27352 1 . PRO 8 8 27352 1 . LYS 9 9 27352 1 . ALA 10 10 27352 1 . VAL 11 11 27352 1 . VAL 12 12 27352 1 . PHE 13 13 27352 1 . LEU 14 14 27352 1 . GLU 15 15 27352 1 . PRO 16 16 27352 1 . GLN 17 17 27352 1 . TRP 18 18 27352 1 . TYR 19 19 27352 1 . SER 20 20 27352 1 . VAL 21 21 27352 1 . LEU 22 22 27352 1 . GLU 23 23 27352 1 . LYS 24 24 27352 1 . ASP 25 25 27352 1 . SER 26 26 27352 1 . VAL 27 27 27352 1 . THR 28 28 27352 1 . LEU 29 29 27352 1 . LYS 30 30 27352 1 . CYS 31 31 27352 1 . GLN 32 32 27352 1 . GLY 33 33 27352 1 . ALA 34 34 27352 1 . TYR 35 35 27352 1 . SER 36 36 27352 1 . PRO 37 37 27352 1 . GLU 38 38 27352 1 . ASP 39 39 27352 1 . ASN 40 40 27352 1 . SER 41 41 27352 1 . THR 42 42 27352 1 . GLN 43 43 27352 1 . TRP 44 44 27352 1 . PHE 45 45 27352 1 . HIS 46 46 27352 1 . ASN 47 47 27352 1 . GLU 48 48 27352 1 . SER 49 49 27352 1 . LEU 50 50 27352 1 . ILE 51 51 27352 1 . SER 52 52 27352 1 . SER 53 53 27352 1 . GLN 54 54 27352 1 . ALA 55 55 27352 1 . SER 56 56 27352 1 . SER 57 57 27352 1 . TYR 58 58 27352 1 . PHE 59 59 27352 1 . ILE 60 60 27352 1 . ASP 61 61 27352 1 . ALA 62 62 27352 1 . ALA 63 63 27352 1 . THR 64 64 27352 1 . VAL 65 65 27352 1 . ASN 66 66 27352 1 . ASP 67 67 27352 1 . SER 68 68 27352 1 . GLY 69 69 27352 1 . GLU 70 70 27352 1 . TYR 71 71 27352 1 . ARG 72 72 27352 1 . CYS 73 73 27352 1 . GLN 74 74 27352 1 . THR 75 75 27352 1 . ASN 76 76 27352 1 . LEU 77 77 27352 1 . SER 78 78 27352 1 . THR 79 79 27352 1 . LEU 80 80 27352 1 . SER 81 81 27352 1 . ASP 82 82 27352 1 . PRO 83 83 27352 1 . VAL 84 84 27352 1 . GLN 85 85 27352 1 . LEU 86 86 27352 1 . GLU 87 87 27352 1 . VAL 88 88 27352 1 . HIS 89 89 27352 1 . ILE 90 90 27352 1 . GLY 91 91 27352 1 . TRP 92 92 27352 1 . LEU 93 93 27352 1 . LEU 94 94 27352 1 . LEU 95 95 27352 1 . GLN 96 96 27352 1 . ALA 97 97 27352 1 . PRO 98 98 27352 1 . ARG 99 99 27352 1 . TRP 100 100 27352 1 . VAL 101 101 27352 1 . PHE 102 102 27352 1 . LYS 103 103 27352 1 . GLU 104 104 27352 1 . GLU 105 105 27352 1 . ASP 106 106 27352 1 . PRO 107 107 27352 1 . ILE 108 108 27352 1 . HIS 109 109 27352 1 . LEU 110 110 27352 1 . ARG 111 111 27352 1 . CYS 112 112 27352 1 . HIS 113 113 27352 1 . SER 114 114 27352 1 . TRP 115 115 27352 1 . LYS 116 116 27352 1 . ASN 117 117 27352 1 . THR 118 118 27352 1 . ALA 119 119 27352 1 . LEU 120 120 27352 1 . HIS 121 121 27352 1 . LYS 122 122 27352 1 . VAL 123 123 27352 1 . THR 124 124 27352 1 . TYR 125 125 27352 1 . LEU 126 126 27352 1 . GLN 127 127 27352 1 . ASN 128 128 27352 1 . GLY 129 129 27352 1 . LYS 130 130 27352 1 . ASP 131 131 27352 1 . ARG 132 132 27352 1 . LYS 133 133 27352 1 . TYR 134 134 27352 1 . PHE 135 135 27352 1 . HIS 136 136 27352 1 . HIS 137 137 27352 1 . ASN 138 138 27352 1 . SER 139 139 27352 1 . ASP 140 140 27352 1 . PHE 141 141 27352 1 . HIS 142 142 27352 1 . ILE 143 143 27352 1 . PRO 144 144 27352 1 . LYS 145 145 27352 1 . ALA 146 146 27352 1 . THR 147 147 27352 1 . LEU 148 148 27352 1 . LYS 149 149 27352 1 . ASP 150 150 27352 1 . SER 151 151 27352 1 . GLY 152 152 27352 1 . SER 153 153 27352 1 . TYR 154 154 27352 1 . PHE 155 155 27352 1 . CYS 156 156 27352 1 . ARG 157 157 27352 1 . GLY 158 158 27352 1 . LEU 159 159 27352 1 . VAL 160 160 27352 1 . GLY 161 161 27352 1 . SER 162 162 27352 1 . LYS 163 163 27352 1 . ASN 164 164 27352 1 . VAL 165 165 27352 1 . SER 166 166 27352 1 . SER 167 167 27352 1 . GLU 168 168 27352 1 . THR 169 169 27352 1 . VAL 170 170 27352 1 . ASN 171 171 27352 1 . ILE 172 172 27352 1 . THR 173 173 27352 1 . ILE 174 174 27352 1 . THR 175 175 27352 1 . GLN 176 176 27352 1 . ALA 177 177 27352 1 . ALA 178 178 27352 1 . ALA 179 179 27352 1 . LEU 180 180 27352 1 . GLU 181 181 27352 1 . HIS 182 182 27352 1 . HIS 183 183 27352 1 . HIS 184 184 27352 1 . HIS 185 185 27352 1 . HIS 186 186 27352 1 . HIS 187 187 27352 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 27352 _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 $Fc_receptor_IIIb . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27352 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 27352 _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 $Fc_receptor_IIIb . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pet28b . . . 27352 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27352 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Fc receptor IIIb' '[U-100% 13C; U-100% 15N] partially deuterated' . . 1 $Fc_receptor_IIIb . . 0.2 . . mM . . . . 27352 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 27352 1 3 'sodium phosphate' 'natural abundance' . . . . . . 5 . . mM . . . . 27352 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 27352 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 . pH 27352 1 pressure 1 . atm 27352 1 temperature 298 . K 27352 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27352 _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' . . 27352 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27352 1 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 27352 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27352 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 27352 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 27352 1 2 spectrometer_2 Bruker Avance . 950 . . . 27352 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 27352 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N trHSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27352 1 2 '3D trCBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27352 1 3 '3D trHNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27352 1 4 '3D trHN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27352 1 5 '3D trHNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27352 1 6 '3D trHNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27352 1 7 '3D trHCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27352 1 8 '3D trHNCANNH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27352 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 27352 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 -0.0577 external direct 0.101329118 . . . . . 27352 1 H 1 DSS 'methyl protons' . . . . ppm -0.0577 external direct 1.0 . . . . . 27352 1 N 15 DSS 'methyl protons' . . . . ppm -0.0577 external direct 0.25144953 . . . . . 27352 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 27352 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N trHSQC' . . . 27352 1 2 '3D trCBCA(CO)NH' . . . 27352 1 3 '3D trHNCACB' . . . 27352 1 4 '3D trHN(CO)CA' . . . 27352 1 6 '3D trHNCO' . . . 27352 1 7 '3D trHCACO' . . . 27352 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 3 3 ARG C C 13 179.159 0.3 . 1 . . . . . 3 ARG C . 27352 1 2 . 1 1 3 3 ARG CA C 13 57.769 0.3 . 1 . . . . . 3 ARG CA . 27352 1 3 . 1 1 4 4 THR H H 1 8.3414 0.03 . 1 . . . . . 4 THR H . 27352 1 4 . 1 1 4 4 THR C C 13 175.758 0.3 . 1 . . . . . 4 THR C . 27352 1 5 . 1 1 4 4 THR CA C 13 64.278 0.3 . 1 . . . . . 4 THR CA . 27352 1 6 . 1 1 4 4 THR CB C 13 71.112 0.3 . 1 . . . . . 4 THR CB . 27352 1 7 . 1 1 4 4 THR N N 15 117.421 0.3 . 1 . . . . . 4 THR N . 27352 1 8 . 1 1 5 5 GLU H H 1 8.5634 0.03 . 1 . . . . . 5 GLU H . 27352 1 9 . 1 1 5 5 GLU C C 13 178.279 0.3 . 1 . . . . . 5 GLU C . 27352 1 10 . 1 1 5 5 GLU CA C 13 58.326 0.3 . 1 . . . . . 5 GLU CA . 27352 1 11 . 1 1 5 5 GLU CB C 13 31.049 0.3 . 1 . . . . . 5 GLU CB . 27352 1 12 . 1 1 5 5 GLU N N 15 122.47 0.3 . 1 . . . . . 5 GLU N . 27352 1 13 . 1 1 6 6 ASP H H 1 8.2114 0.03 . 1 . . . . . 6 ASP H . 27352 1 14 . 1 1 6 6 ASP C C 13 177.869 0.3 . 1 . . . . . 6 ASP C . 27352 1 15 . 1 1 6 6 ASP CA C 13 56.011 0.3 . 1 . . . . . 6 ASP CA . 27352 1 16 . 1 1 6 6 ASP CB C 13 42.46 0.3 . 1 . . . . . 6 ASP CB . 27352 1 17 . 1 1 6 6 ASP N N 15 121.398 0.3 . 1 . . . . . 6 ASP N . 27352 1 18 . 1 1 7 7 LEU H H 1 7.9844 0.03 . 1 . . . . . 7 LEU H . 27352 1 19 . 1 1 7 7 LEU CA C 13 54.427 0.3 . 1 . . . . . 7 LEU CA . 27352 1 20 . 1 1 7 7 LEU CB C 13 42.46 0.3 . 1 . . . . . 7 LEU CB . 27352 1 21 . 1 1 7 7 LEU N N 15 123.219 0.3 . 1 . . . . . 7 LEU N . 27352 1 22 . 1 1 8 8 PRO C C 13 178.396 0.3 . 1 . . . . . 8 PRO C . 27352 1 23 . 1 1 8 8 PRO CA C 13 64.22 0.3 . 1 . . . . . 8 PRO CA . 27352 1 24 . 1 1 9 9 LYS H H 1 8.1074 0.03 . 1 . . . . . 9 LYS H . 27352 1 25 . 1 1 9 9 LYS C C 13 181.387 0.3 . 1 . . . . . 9 LYS C . 27352 1 26 . 1 1 9 9 LYS CA C 13 58.092 0.3 . 1 . . . . . 9 LYS CA . 27352 1 27 . 1 1 9 9 LYS CB C 13 34.908 0.3 . 1 . . . . . 9 LYS CB . 27352 1 28 . 1 1 9 9 LYS N N 15 121.506 0.3 . 1 . . . . . 9 LYS N . 27352 1 29 . 1 1 10 10 ALA H H 1 8.5734 0.03 . 1 . . . . . 10 ALA H . 27352 1 30 . 1 1 10 10 ALA C C 13 177.194 0.3 . 1 . . . . . 10 ALA C . 27352 1 31 . 1 1 10 10 ALA CA C 13 53.724 0.3 . 1 . . . . . 10 ALA CA . 27352 1 32 . 1 1 10 10 ALA CB C 13 20.705 0.3 . 1 . . . . . 10 ALA CB . 27352 1 33 . 1 1 10 10 ALA N N 15 128.554 0.3 . 1 . . . . . 10 ALA N . 27352 1 34 . 1 1 11 11 VAL H H 1 8.1494 0.03 . 1 . . . . . 11 VAL H . 27352 1 35 . 1 1 11 11 VAL C C 13 174.937 0.3 . 1 . . . . . 11 VAL C . 27352 1 36 . 1 1 11 11 VAL CA C 13 63.487 0.3 . 1 . . . . . 11 VAL CA . 27352 1 37 . 1 1 11 11 VAL CB C 13 37.042 0.3 . 1 . . . . . 11 VAL CB . 27352 1 38 . 1 1 11 11 VAL N N 15 118.663 0.3 . 1 . . . . . 11 VAL N . 27352 1 39 . 1 1 12 12 VAL H H 1 8.2884 0.03 . 1 . . . . . 12 VAL H . 27352 1 40 . 1 1 12 12 VAL CA C 13 62.783 0.3 . 1 . . . . . 12 VAL CA . 27352 1 41 . 1 1 12 12 VAL CB C 13 33.923 0.3 . 1 . . . . . 12 VAL CB . 27352 1 42 . 1 1 12 12 VAL N N 15 126.263 0.3 . 1 . . . . . 12 VAL N . 27352 1 43 . 1 1 13 13 PHE H H 1 9.3434 0.03 . 1 . . . . . 13 PHE H . 27352 1 44 . 1 1 13 13 PHE C C 13 174.937 0.3 . 1 . . . . . 13 PHE C . 27352 1 45 . 1 1 13 13 PHE CA C 13 56.919 0.3 . 1 . . . . . 13 PHE CA . 27352 1 46 . 1 1 13 13 PHE CB C 13 33.102 0.3 . 1 . . . . . 13 PHE CB . 27352 1 47 . 1 1 13 13 PHE N N 15 125.735 0.3 . 1 . . . . . 13 PHE N . 27352 1 48 . 1 1 14 14 LEU H H 1 8.2524 0.03 . 1 . . . . . 14 LEU H . 27352 1 49 . 1 1 14 14 LEU CA C 13 56.069 0.3 . 1 . . . . . 14 LEU CA . 27352 1 50 . 1 1 14 14 LEU CB C 13 43.528 0.3 . 1 . . . . . 14 LEU CB . 27352 1 51 . 1 1 14 14 LEU N N 15 123.917 0.3 . 1 . . . . . 14 LEU N . 27352 1 52 . 1 1 16 16 PRO C C 13 179.569 0.3 . 1 . . . . . 16 PRO C . 27352 1 53 . 1 1 16 16 PRO CA C 13 65.451 0.3 . 1 . . . . . 16 PRO CA . 27352 1 54 . 1 1 17 17 GLN H H 1 7.8584 0.03 . 1 . . . . . 17 GLN H . 27352 1 55 . 1 1 17 17 GLN C C 13 174.585 0.3 . 1 . . . . . 17 GLN C . 27352 1 56 . 1 1 17 17 GLN CA C 13 58.767 0.3 . 1 . . . . . 17 GLN CA . 27352 1 57 . 1 1 17 17 GLN CB C 13 29.818 0.3 . 1 . . . . . 17 GLN CB . 27352 1 58 . 1 1 17 17 GLN N N 15 115.169 0.3 . 1 . . . . . 17 GLN N . 27352 1 59 . 1 1 18 18 TRP H H 1 6.2054 0.03 . 1 . . . . . 18 TRP H . 27352 1 60 . 1 1 18 18 TRP C C 13 177.282 0.3 . 1 . . . . . 18 TRP C . 27352 1 61 . 1 1 18 18 TRP CA C 13 56.362 0.3 . 1 . . . . . 18 TRP CA . 27352 1 62 . 1 1 18 18 TRP CB C 13 32.281 0.3 . 1 . . . . . 18 TRP CB . 27352 1 63 . 1 1 18 18 TRP N N 15 120.566 0.3 . 1 . . . . . 18 TRP N . 27352 1 64 . 1 1 19 19 TYR H H 1 7.5674 0.03 . 1 . . . . . 19 TYR H . 27352 1 65 . 1 1 19 19 TYR C C 13 173.119 0.3 . 1 . . . . . 19 TYR C . 27352 1 66 . 1 1 19 19 TYR CA C 13 60.144 0.3 . 1 . . . . . 19 TYR CA . 27352 1 67 . 1 1 19 19 TYR CB C 13 38.93 0.3 . 1 . . . . . 19 TYR CB . 27352 1 68 . 1 1 19 19 TYR N N 15 120.625 0.3 . 1 . . . . . 19 TYR N . 27352 1 69 . 1 1 20 20 SER H H 1 7.4554 0.03 . 1 . . . . . 20 SER H . 27352 1 70 . 1 1 20 20 SER C C 13 174.057 0.3 . 1 . . . . . 20 SER C . 27352 1 71 . 1 1 20 20 SER CA C 13 56.215 0.3 . 1 . . . . . 20 SER CA . 27352 1 72 . 1 1 20 20 SER CB C 13 66.597 0.3 . 1 . . . . . 20 SER CB . 27352 1 73 . 1 1 20 20 SER N N 15 116.434 0.3 . 1 . . . . . 20 SER N . 27352 1 74 . 1 1 21 21 VAL H H 1 8.7904 0.03 . 1 . . . . . 21 VAL H . 27352 1 75 . 1 1 21 21 VAL C C 13 176.755 0.3 . 1 . . . . . 21 VAL C . 27352 1 76 . 1 1 21 21 VAL CA C 13 60.614 0.3 . 1 . . . . . 21 VAL CA . 27352 1 77 . 1 1 21 21 VAL CB C 13 35.647 0.3 . 1 . . . . . 21 VAL CB . 27352 1 78 . 1 1 21 21 VAL N N 15 116.427 0.3 . 1 . . . . . 21 VAL N . 27352 1 79 . 1 1 22 22 LEU H H 1 8.5944 0.03 . 1 . . . . . 22 LEU H . 27352 1 80 . 1 1 22 22 LEU C C 13 180.566 0.3 . 1 . . . . . 22 LEU C . 27352 1 81 . 1 1 22 22 LEU CA C 13 54.456 0.3 . 1 . . . . . 22 LEU CA . 27352 1 82 . 1 1 22 22 LEU CB C 13 46.729 0.3 . 1 . . . . . 22 LEU CB . 27352 1 83 . 1 1 22 22 LEU N N 15 121.42 0.3 . 1 . . . . . 22 LEU N . 27352 1 84 . 1 1 23 23 GLU H H 1 7.7574 0.03 . 1 . . . . . 23 GLU H . 27352 1 85 . 1 1 23 23 GLU C C 13 179.804 0.3 . 1 . . . . . 23 GLU C . 27352 1 86 . 1 1 23 23 GLU CA C 13 60.056 0.3 . 1 . . . . . 23 GLU CA . 27352 1 87 . 1 1 23 23 GLU CB C 13 31.049 0.3 . 1 . . . . . 23 GLU CB . 27352 1 88 . 1 1 23 23 GLU N N 15 119.139 0.3 . 1 . . . . . 23 GLU N . 27352 1 89 . 1 1 24 24 LYS H H 1 9.4794 0.03 . 1 . . . . . 24 LYS H . 27352 1 90 . 1 1 24 24 LYS C C 13 179.1 0.3 . 1 . . . . . 24 LYS C . 27352 1 91 . 1 1 24 24 LYS CA C 13 60.877 0.3 . 1 . . . . . 24 LYS CA . 27352 1 92 . 1 1 24 24 LYS CB C 13 31.049 0.3 . 1 . . . . . 24 LYS CB . 27352 1 93 . 1 1 24 24 LYS N N 15 114.759 0.3 . 1 . . . . . 24 LYS N . 27352 1 94 . 1 1 25 25 ASP H H 1 8.3764 0.03 . 1 . . . . . 25 ASP H . 27352 1 95 . 1 1 25 25 ASP C C 13 177.634 0.3 . 1 . . . . . 25 ASP C . 27352 1 96 . 1 1 25 25 ASP CA C 13 56.861 0.3 . 1 . . . . . 25 ASP CA . 27352 1 97 . 1 1 25 25 ASP CB C 13 42.378 0.3 . 1 . . . . . 25 ASP CB . 27352 1 98 . 1 1 25 25 ASP N N 15 122.078 0.3 . 1 . . . . . 25 ASP N . 27352 1 99 . 1 1 26 26 SER H H 1 8.3444 0.03 . 1 . . . . . 26 SER H . 27352 1 100 . 1 1 26 26 SER C C 13 177.165 0.3 . 1 . . . . . 26 SER C . 27352 1 101 . 1 1 26 26 SER CA C 13 58.063 0.3 . 1 . . . . . 26 SER CA . 27352 1 102 . 1 1 26 26 SER CB C 13 66.432 0.3 . 1 . . . . . 26 SER CB . 27352 1 103 . 1 1 26 26 SER N N 15 114.756 0.3 . 1 . . . . . 26 SER N . 27352 1 104 . 1 1 27 27 VAL H H 1 8.6144 0.03 . 1 . . . . . 27 VAL H . 27352 1 105 . 1 1 27 27 VAL C C 13 172.415 0.3 . 1 . . . . . 27 VAL C . 27352 1 106 . 1 1 27 27 VAL CA C 13 63.546 0.3 . 1 . . . . . 27 VAL CA . 27352 1 107 . 1 1 27 27 VAL CB C 13 36.221 0.3 . 1 . . . . . 27 VAL CB . 27352 1 108 . 1 1 27 27 VAL N N 15 123.949 0.3 . 1 . . . . . 27 VAL N . 27352 1 109 . 1 1 28 28 THR H H 1 8.4454 0.03 . 1 . . . . . 28 THR H . 27352 1 110 . 1 1 28 28 THR C C 13 171.711 0.3 . 1 . . . . . 28 THR C . 27352 1 111 . 1 1 28 28 THR CA C 13 63.809 0.3 . 1 . . . . . 28 THR CA . 27352 1 112 . 1 1 28 28 THR CB C 13 71.851 0.3 . 1 . . . . . 28 THR CB . 27352 1 113 . 1 1 28 28 THR N N 15 122.804 0.3 . 1 . . . . . 28 THR N . 27352 1 114 . 1 1 29 29 LEU H H 1 8.9084 0.03 . 1 . . . . . 29 LEU H . 27352 1 115 . 1 1 29 29 LEU C C 13 176.109 0.3 . 1 . . . . . 29 LEU C . 27352 1 116 . 1 1 29 29 LEU CA C 13 56.127 0.3 . 1 . . . . . 29 LEU CA . 27352 1 117 . 1 1 29 29 LEU CB C 13 43.61 0.3 . 1 . . . . . 29 LEU CB . 27352 1 118 . 1 1 29 29 LEU N N 15 128.573 0.3 . 1 . . . . . 29 LEU N . 27352 1 119 . 1 1 30 30 LYS H H 1 9.3654 0.03 . 1 . . . . . 30 LYS H . 27352 1 120 . 1 1 30 30 LYS C C 13 178.221 0.3 . 1 . . . . . 30 LYS C . 27352 1 121 . 1 1 30 30 LYS CA C 13 56.713 0.3 . 1 . . . . . 30 LYS CA . 27352 1 122 . 1 1 30 30 LYS CB C 13 36.057 0.3 . 1 . . . . . 30 LYS CB . 27352 1 123 . 1 1 30 30 LYS N N 15 122.73 0.3 . 1 . . . . . 30 LYS N . 27352 1 124 . 1 1 31 31 CYS H H 1 8.8974 0.03 . 1 . . . . . 31 CYS H . 27352 1 125 . 1 1 31 31 CYS C C 13 175.699 0.3 . 1 . . . . . 31 CYS C . 27352 1 126 . 1 1 31 31 CYS CA C 13 56.391 0.3 . 1 . . . . . 31 CYS CA . 27352 1 127 . 1 1 31 31 CYS CB C 13 44.677 0.3 . 1 . . . . . 31 CYS CB . 27352 1 128 . 1 1 31 31 CYS N N 15 123.147 0.3 . 1 . . . . . 31 CYS N . 27352 1 129 . 1 1 32 32 GLN H H 1 9.7634 0.03 . 1 . . . . . 32 GLN H . 27352 1 130 . 1 1 32 32 GLN C C 13 175.816 0.3 . 1 . . . . . 32 GLN C . 27352 1 131 . 1 1 32 32 GLN CA C 13 56.421 0.3 . 1 . . . . . 32 GLN CA . 27352 1 132 . 1 1 32 32 GLN CB C 13 30.967 0.3 . 1 . . . . . 32 GLN CB . 27352 1 133 . 1 1 32 32 GLN N N 15 132.11 0.3 . 1 . . . . . 32 GLN N . 27352 1 134 . 1 1 33 33 GLY H H 1 7.8064 0.03 . 1 . . . . . 33 GLY H . 27352 1 135 . 1 1 33 33 GLY C C 13 170.539 0.3 . 1 . . . . . 33 GLY C . 27352 1 136 . 1 1 33 33 GLY CA C 13 45.719 0.3 . 1 . . . . . 33 GLY CA . 27352 1 137 . 1 1 33 33 GLY N N 15 113.507 0.3 . 1 . . . . . 33 GLY N . 27352 1 138 . 1 1 34 34 ALA H H 1 8.0474 0.03 . 1 . . . . . 34 ALA H . 27352 1 139 . 1 1 34 34 ALA C C 13 179.511 0.3 . 1 . . . . . 34 ALA C . 27352 1 140 . 1 1 34 34 ALA CA C 13 53.313 0.3 . 1 . . . . . 34 ALA CA . 27352 1 141 . 1 1 34 34 ALA CB C 13 21.116 0.3 . 1 . . . . . 34 ALA CB . 27352 1 142 . 1 1 34 34 ALA N N 15 123.267 0.3 . 1 . . . . . 34 ALA N . 27352 1 143 . 1 1 35 35 TYR H H 1 8.4484 0.03 . 1 . . . . . 35 TYR H . 27352 1 144 . 1 1 35 35 TYR C C 13 177.4 0.3 . 1 . . . . . 35 TYR C . 27352 1 145 . 1 1 35 35 TYR CA C 13 58.62 0.3 . 1 . . . . . 35 TYR CA . 27352 1 146 . 1 1 35 35 TYR CB C 13 41.557 0.3 . 1 . . . . . 35 TYR CB . 27352 1 147 . 1 1 35 35 TYR N N 15 121.061 0.3 . 1 . . . . . 35 TYR N . 27352 1 148 . 1 1 36 36 SER H H 1 8.4074 0.03 . 1 . . . . . 36 SER H . 27352 1 149 . 1 1 36 36 SER CA C 13 57.476 0.3 . 1 . . . . . 36 SER CA . 27352 1 150 . 1 1 36 36 SER CB C 13 65.529 0.3 . 1 . . . . . 36 SER CB . 27352 1 151 . 1 1 36 36 SER N N 15 118.921 0.3 . 1 . . . . . 36 SER N . 27352 1 152 . 1 1 37 37 PRO C C 13 180.507 0.3 . 1 . . . . . 37 PRO C . 27352 1 153 . 1 1 37 37 PRO CA C 13 66.507 0.3 . 1 . . . . . 37 PRO CA . 27352 1 154 . 1 1 38 38 GLU H H 1 8.1694 0.03 . 1 . . . . . 38 GLU H . 27352 1 155 . 1 1 38 38 GLU C C 13 178.103 0.3 . 1 . . . . . 38 GLU C . 27352 1 156 . 1 1 38 38 GLU CA C 13 58.59 0.3 . 1 . . . . . 38 GLU CA . 27352 1 157 . 1 1 38 38 GLU CB C 13 30.639 0.3 . 1 . . . . . 38 GLU CB . 27352 1 158 . 1 1 38 38 GLU N N 15 115.305 0.3 . 1 . . . . . 38 GLU N . 27352 1 159 . 1 1 39 39 ASP H H 1 7.7394 0.03 . 1 . . . . . 39 ASP H . 27352 1 160 . 1 1 39 39 ASP C C 13 175.67 0.3 . 1 . . . . . 39 ASP C . 27352 1 161 . 1 1 39 39 ASP CA C 13 56.01 0.3 . 1 . . . . . 39 ASP CA . 27352 1 162 . 1 1 39 39 ASP CB C 13 42.953 0.3 . 1 . . . . . 39 ASP CB . 27352 1 163 . 1 1 39 39 ASP N N 15 120.348 0.3 . 1 . . . . . 39 ASP N . 27352 1 164 . 1 1 40 40 ASN H H 1 8.6594 0.03 . 1 . . . . . 40 ASN H . 27352 1 165 . 1 1 40 40 ASN C C 13 179.159 0.3 . 1 . . . . . 40 ASN C . 27352 1 166 . 1 1 40 40 ASN CA C 13 58.063 0.3 . 1 . . . . . 40 ASN CA . 27352 1 167 . 1 1 40 40 ASN CB C 13 31.131 0.3 . 1 . . . . . 40 ASN CB . 27352 1 168 . 1 1 40 40 ASN N N 15 123.59 0.3 . 1 . . . . . 40 ASN N . 27352 1 169 . 1 1 41 41 SER H H 1 7.5214 0.03 . 1 . . . . . 41 SER H . 27352 1 170 . 1 1 41 41 SER C C 13 174.174 0.3 . 1 . . . . . 41 SER C . 27352 1 171 . 1 1 41 41 SER CA C 13 61.405 0.3 . 1 . . . . . 41 SER CA . 27352 1 172 . 1 1 41 41 SER CB C 13 66.022 0.3 . 1 . . . . . 41 SER CB . 27352 1 173 . 1 1 41 41 SER N N 15 117.192 0.3 . 1 . . . . . 41 SER N . 27352 1 174 . 1 1 42 42 THR H H 1 8.1384 0.03 . 1 . . . . . 42 THR H . 27352 1 175 . 1 1 42 42 THR C C 13 173.002 0.3 . 1 . . . . . 42 THR C . 27352 1 176 . 1 1 42 42 THR CA C 13 64.337 0.3 . 1 . . . . . 42 THR CA . 27352 1 177 . 1 1 42 42 THR CB C 13 72.59 0.3 . 1 . . . . . 42 THR CB . 27352 1 178 . 1 1 42 42 THR N N 15 121.484 0.3 . 1 . . . . . 42 THR N . 27352 1 179 . 1 1 43 43 GLN H H 1 8.4914 0.03 . 1 . . . . . 43 GLN H . 27352 1 180 . 1 1 43 43 GLN C C 13 173.823 0.3 . 1 . . . . . 43 GLN C . 27352 1 181 . 1 1 43 43 GLN CA C 13 56.215 0.3 . 1 . . . . . 43 GLN CA . 27352 1 182 . 1 1 43 43 GLN CB C 13 32.116 0.3 . 1 . . . . . 43 GLN CB . 27352 1 183 . 1 1 43 43 GLN N N 15 123.162 0.3 . 1 . . . . . 43 GLN N . 27352 1 184 . 1 1 44 44 TRP H H 1 8.7784 0.03 . 1 . . . . . 44 TRP H . 27352 1 185 . 1 1 44 44 TRP C C 13 175.875 0.3 . 1 . . . . . 44 TRP C . 27352 1 186 . 1 1 44 44 TRP CA C 13 58.063 0.3 . 1 . . . . . 44 TRP CA . 27352 1 187 . 1 1 44 44 TRP CB C 13 35.072 0.3 . 1 . . . . . 44 TRP CB . 27352 1 188 . 1 1 44 44 TRP N N 15 122.791 0.3 . 1 . . . . . 44 TRP N . 27352 1 189 . 1 1 45 45 PHE H H 1 9.1254 0.03 . 1 . . . . . 45 PHE H . 27352 1 190 . 1 1 45 45 PHE C C 13 176.813 0.3 . 1 . . . . . 45 PHE C . 27352 1 191 . 1 1 45 45 PHE CA C 13 57.652 0.3 . 1 . . . . . 45 PHE CA . 27352 1 192 . 1 1 45 45 PHE CB C 13 44.267 0.3 . 1 . . . . . 45 PHE CB . 27352 1 193 . 1 1 45 45 PHE N N 15 118.044 0.3 . 1 . . . . . 45 PHE N . 27352 1 194 . 1 1 46 46 HIS H H 1 9.0614 0.03 . 1 . . . . . 46 HIS H . 27352 1 195 . 1 1 46 46 HIS C C 13 175.992 0.3 . 1 . . . . . 46 HIS C . 27352 1 196 . 1 1 46 46 HIS CA C 13 52.522 0.3 . 1 . . . . . 46 HIS CA . 27352 1 197 . 1 1 46 46 HIS CB C 13 32.445 0.3 . 1 . . . . . 46 HIS CB . 27352 1 198 . 1 1 46 46 HIS N N 15 120.346 0.3 . 1 . . . . . 46 HIS N . 27352 1 199 . 1 1 47 47 ASN H H 1 9.9474 0.03 . 1 . . . . . 47 ASN H . 27352 1 200 . 1 1 47 47 ASN CA C 13 56.245 0.3 . 1 . . . . . 47 ASN CA . 27352 1 201 . 1 1 47 47 ASN CB C 13 37.124 0.3 . 1 . . . . . 47 ASN CB . 27352 1 202 . 1 1 47 47 ASN N N 15 129.662 0.3 . 1 . . . . . 47 ASN N . 27352 1 203 . 1 1 48 48 GLU C C 13 177.751 0.3 . 1 . . . . . 48 GLU C . 27352 1 204 . 1 1 48 48 GLU CA C 13 59.529 0.3 . 1 . . . . . 48 GLU CA . 27352 1 205 . 1 1 49 49 SER H H 1 7.9414 0.03 . 1 . . . . . 49 SER H . 27352 1 206 . 1 1 49 49 SER C C 13 174.057 0.3 . 1 . . . . . 49 SER C . 27352 1 207 . 1 1 49 49 SER CA C 13 59.705 0.3 . 1 . . . . . 49 SER CA . 27352 1 208 . 1 1 49 49 SER CB C 13 66.432 0.3 . 1 . . . . . 49 SER CB . 27352 1 209 . 1 1 49 49 SER N N 15 116.924 0.3 . 1 . . . . . 49 SER N . 27352 1 210 . 1 1 50 50 LEU H H 1 8.7004 0.03 . 1 . . . . . 50 LEU H . 27352 1 211 . 1 1 50 50 LEU C C 13 181.856 0.3 . 1 . . . . . 50 LEU C . 27352 1 212 . 1 1 50 50 LEU CA C 13 57.359 0.3 . 1 . . . . . 50 LEU CA . 27352 1 213 . 1 1 50 50 LEU CB C 13 43.692 0.3 . 1 . . . . . 50 LEU CB . 27352 1 214 . 1 1 50 50 LEU N N 15 129.067 0.3 . 1 . . . . . 50 LEU N . 27352 1 215 . 1 1 51 51 ILE H H 1 8.5744 0.03 . 1 . . . . . 51 ILE H . 27352 1 216 . 1 1 51 51 ILE C C 13 179.745 0.3 . 1 . . . . . 51 ILE C . 27352 1 217 . 1 1 51 51 ILE CA C 13 62.343 0.3 . 1 . . . . . 51 ILE CA . 27352 1 218 . 1 1 51 51 ILE CB C 13 40.162 0.3 . 1 . . . . . 51 ILE CB . 27352 1 219 . 1 1 51 51 ILE N N 15 125.601 0.3 . 1 . . . . . 51 ILE N . 27352 1 220 . 1 1 52 52 SER H H 1 8.3264 0.03 . 1 . . . . . 52 SER H . 27352 1 221 . 1 1 52 52 SER C C 13 176.168 0.3 . 1 . . . . . 52 SER C . 27352 1 222 . 1 1 52 52 SER CA C 13 61.17 0.3 . 1 . . . . . 52 SER CA . 27352 1 223 . 1 1 52 52 SER CB C 13 64.544 0.3 . 1 . . . . . 52 SER CB . 27352 1 224 . 1 1 52 52 SER N N 15 118.343 0.3 . 1 . . . . . 52 SER N . 27352 1 225 . 1 1 53 53 SER H H 1 7.6974 0.03 . 1 . . . . . 53 SER H . 27352 1 226 . 1 1 53 53 SER C C 13 175.758 0.3 . 1 . . . . . 53 SER C . 27352 1 227 . 1 1 53 53 SER CA C 13 60.82 0.3 . 1 . . . . . 53 SER CA . 27352 1 228 . 1 1 53 53 SER CB C 13 65.283 0.3 . 1 . . . . . 53 SER CB . 27352 1 229 . 1 1 53 53 SER N N 15 117.354 0.3 . 1 . . . . . 53 SER N . 27352 1 230 . 1 1 54 54 GLN H H 1 8.7224 0.03 . 1 . . . . . 54 GLN H . 27352 1 231 . 1 1 54 54 GLN C C 13 178.338 0.3 . 1 . . . . . 54 GLN C . 27352 1 232 . 1 1 54 54 GLN CA C 13 57.212 0.3 . 1 . . . . . 54 GLN CA . 27352 1 233 . 1 1 54 54 GLN CB C 13 31.213 0.3 . 1 . . . . . 54 GLN CB . 27352 1 234 . 1 1 54 54 GLN N N 15 123.929 0.3 . 1 . . . . . 54 GLN N . 27352 1 235 . 1 1 55 55 ALA H H 1 8.0064 0.03 . 1 . . . . . 55 ALA H . 27352 1 236 . 1 1 55 55 ALA C C 13 178.455 0.3 . 1 . . . . . 55 ALA C . 27352 1 237 . 1 1 55 55 ALA CA C 13 53.606 0.3 . 1 . . . . . 55 ALA CA . 27352 1 238 . 1 1 55 55 ALA CB C 13 21.526 0.3 . 1 . . . . . 55 ALA CB . 27352 1 239 . 1 1 55 55 ALA N N 15 124.773 0.3 . 1 . . . . . 55 ALA N . 27352 1 240 . 1 1 56 56 SER H H 1 8.6654 0.03 . 1 . . . . . 56 SER H . 27352 1 241 . 1 1 56 56 SER C C 13 175.289 0.3 . 1 . . . . . 56 SER C . 27352 1 242 . 1 1 56 56 SER CA C 13 62.49 0.3 . 1 . . . . . 56 SER CA . 27352 1 243 . 1 1 56 56 SER CB C 13 65.283 0.3 . 1 . . . . . 56 SER CB . 27352 1 244 . 1 1 56 56 SER N N 15 114.894 0.3 . 1 . . . . . 56 SER N . 27352 1 245 . 1 1 57 57 SER H H 1 7.4864 0.03 . 1 . . . . . 57 SER H . 27352 1 246 . 1 1 57 57 SER C C 13 172.708 0.3 . 1 . . . . . 57 SER C . 27352 1 247 . 1 1 57 57 SER CA C 13 58.356 0.3 . 1 . . . . . 57 SER CA . 27352 1 248 . 1 1 57 57 SER CB C 13 67.171 0.3 . 1 . . . . . 57 SER CB . 27352 1 249 . 1 1 57 57 SER N N 15 114.295 0.3 . 1 . . . . . 57 SER N . 27352 1 250 . 1 1 58 58 TYR H H 1 9.2814 0.03 . 1 . . . . . 58 TYR H . 27352 1 251 . 1 1 58 58 TYR C C 13 172.181 0.3 . 1 . . . . . 58 TYR C . 27352 1 252 . 1 1 58 58 TYR CA C 13 58.004 0.3 . 1 . . . . . 58 TYR CA . 27352 1 253 . 1 1 58 58 TYR CB C 13 39.095 0.3 . 1 . . . . . 58 TYR CB . 27352 1 254 . 1 1 58 58 TYR N N 15 127.103 0.3 . 1 . . . . . 58 TYR N . 27352 1 255 . 1 1 59 59 PHE H H 1 7.7774 0.03 . 1 . . . . . 59 PHE H . 27352 1 256 . 1 1 59 59 PHE C C 13 176.109 0.3 . 1 . . . . . 59 PHE C . 27352 1 257 . 1 1 59 59 PHE CA C 13 57.886 0.3 . 1 . . . . . 59 PHE CA . 27352 1 258 . 1 1 59 59 PHE CB C 13 41.968 0.3 . 1 . . . . . 59 PHE CB . 27352 1 259 . 1 1 59 59 PHE N N 15 127.732 0.3 . 1 . . . . . 59 PHE N . 27352 1 260 . 1 1 60 60 ILE H H 1 8.4284 0.03 . 1 . . . . . 60 ILE H . 27352 1 261 . 1 1 60 60 ILE C C 13 171.594 0.3 . 1 . . . . . 60 ILE C . 27352 1 262 . 1 1 60 60 ILE CA C 13 61.874 0.3 . 1 . . . . . 60 ILE CA . 27352 1 263 . 1 1 60 60 ILE CB C 13 39.012 0.3 . 1 . . . . . 60 ILE CB . 27352 1 264 . 1 1 60 60 ILE N N 15 128.9 0.3 . 1 . . . . . 60 ILE N . 27352 1 265 . 1 1 61 61 ASP H H 1 7.8364 0.03 . 1 . . . . . 61 ASP H . 27352 1 266 . 1 1 61 61 ASP CA C 13 57.828 0.3 . 1 . . . . . 61 ASP CA . 27352 1 267 . 1 1 61 61 ASP CB C 13 42.378 0.3 . 1 . . . . . 61 ASP CB . 27352 1 268 . 1 1 61 61 ASP N N 15 126.144 0.3 . 1 . . . . . 61 ASP N . 27352 1 269 . 1 1 62 62 ALA H H 1 7.7674 0.03 . 1 . . . . . 62 ALA H . 27352 1 270 . 1 1 62 62 ALA C C 13 177.048 0.3 . 1 . . . . . 62 ALA C . 27352 1 271 . 1 1 62 62 ALA CA C 13 52.316 0.3 . 1 . . . . . 62 ALA CA . 27352 1 272 . 1 1 62 62 ALA CB C 13 20.048 0.3 . 1 . . . . . 62 ALA CB . 27352 1 273 . 1 1 62 62 ALA N N 15 122.318 0.3 . 1 . . . . . 62 ALA N . 27352 1 274 . 1 1 63 63 ALA H H 1 9.0954 0.03 . 1 . . . . . 63 ALA H . 27352 1 275 . 1 1 63 63 ALA C C 13 181.358 0.3 . 1 . . . . . 63 ALA C . 27352 1 276 . 1 1 63 63 ALA CA C 13 54.984 0.3 . 1 . . . . . 63 ALA CA . 27352 1 277 . 1 1 63 63 ALA CB C 13 19.679 0.3 . 1 . . . . . 63 ALA CB . 27352 1 278 . 1 1 63 63 ALA N N 15 126.755 0.3 . 1 . . . . . 63 ALA N . 27352 1 279 . 1 1 64 64 THR H H 1 9.6894 0.03 . 1 . . . . . 64 THR H . 27352 1 280 . 1 1 64 64 THR C C 13 179.745 0.3 . 1 . . . . . 64 THR C . 27352 1 281 . 1 1 64 64 THR CA C 13 61.258 0.3 . 1 . . . . . 64 THR CA . 27352 1 282 . 1 1 64 64 THR CB C 13 74.888 0.3 . 1 . . . . . 64 THR CB . 27352 1 283 . 1 1 64 64 THR N N 15 114.661 0.3 . 1 . . . . . 64 THR N . 27352 1 284 . 1 1 65 65 VAL H H 1 9.2594 0.03 . 1 . . . . . 65 VAL H . 27352 1 285 . 1 1 65 65 VAL C C 13 182.853 0.3 . 1 . . . . . 65 VAL C . 27352 1 286 . 1 1 65 65 VAL CA C 13 67.826 0.3 . 1 . . . . . 65 VAL CA . 27352 1 287 . 1 1 65 65 VAL CB C 13 32.198 0.3 . 1 . . . . . 65 VAL CB . 27352 1 288 . 1 1 65 65 VAL N N 15 119.42 0.3 . 1 . . . . . 65 VAL N . 27352 1 289 . 1 1 66 66 ASN H H 1 7.8914 0.03 . 1 . . . . . 66 ASN H . 27352 1 290 . 1 1 66 66 ASN C C 13 176.227 0.3 . 1 . . . . . 66 ASN C . 27352 1 291 . 1 1 66 66 ASN CA C 13 56.508 0.3 . 1 . . . . . 66 ASN CA . 27352 1 292 . 1 1 66 66 ASN CB C 13 39.505 0.3 . 1 . . . . . 66 ASN CB . 27352 1 293 . 1 1 66 66 ASN N N 15 118.28 0.3 . 1 . . . . . 66 ASN N . 27352 1 294 . 1 1 67 67 ASP H H 1 8.4914 0.03 . 1 . . . . . 67 ASP H . 27352 1 295 . 1 1 67 67 ASP C C 13 176.755 0.3 . 1 . . . . . 67 ASP C . 27352 1 296 . 1 1 67 67 ASP CA C 13 54.222 0.3 . 1 . . . . . 67 ASP CA . 27352 1 297 . 1 1 67 67 ASP CB C 13 39.998 0.3 . 1 . . . . . 67 ASP CB . 27352 1 298 . 1 1 67 67 ASP N N 15 123.162 0.3 . 1 . . . . . 67 ASP N . 27352 1 299 . 1 1 68 68 SER H H 1 8.3174 0.03 . 1 . . . . . 68 SER H . 27352 1 300 . 1 1 68 68 SER C C 13 176.051 0.3 . 1 . . . . . 68 SER C . 27352 1 301 . 1 1 68 68 SER CA C 13 61.698 0.3 . 1 . . . . . 68 SER CA . 27352 1 302 . 1 1 68 68 SER CB C 13 65.776 0.3 . 1 . . . . . 68 SER CB . 27352 1 303 . 1 1 68 68 SER N N 15 116.563 0.3 . 1 . . . . . 68 SER N . 27352 1 304 . 1 1 69 69 GLY H H 1 9.7874 0.03 . 1 . . . . . 69 GLY H . 27352 1 305 . 1 1 69 69 GLY C C 13 170.246 0.3 . 1 . . . . . 69 GLY C . 27352 1 306 . 1 1 69 69 GLY CA C 13 46.334 0.3 . 1 . . . . . 69 GLY CA . 27352 1 307 . 1 1 69 69 GLY N N 15 114.755 0.3 . 1 . . . . . 69 GLY N . 27352 1 308 . 1 1 70 70 GLU H H 1 8.2624 0.03 . 1 . . . . . 70 GLU H . 27352 1 309 . 1 1 70 70 GLU C C 13 180.214 0.3 . 1 . . . . . 70 GLU C . 27352 1 310 . 1 1 70 70 GLU CA C 13 56.656 0.3 . 1 . . . . . 70 GLU CA . 27352 1 311 . 1 1 70 70 GLU CB C 13 34.005 0.3 . 1 . . . . . 70 GLU CB . 27352 1 312 . 1 1 70 70 GLU N N 15 118.555 0.3 . 1 . . . . . 70 GLU N . 27352 1 313 . 1 1 71 71 TYR H H 1 9.5004 0.03 . 1 . . . . . 71 TYR H . 27352 1 314 . 1 1 71 71 TYR C C 13 177.341 0.3 . 1 . . . . . 71 TYR C . 27352 1 315 . 1 1 71 71 TYR CA C 13 58.942 0.3 . 1 . . . . . 71 TYR CA . 27352 1 316 . 1 1 71 71 TYR CB C 13 44.02 0.3 . 1 . . . . . 71 TYR CB . 27352 1 317 . 1 1 71 71 TYR N N 15 124.071 0.3 . 1 . . . . . 71 TYR N . 27352 1 318 . 1 1 72 72 ARG H H 1 8.7674 0.03 . 1 . . . . . 72 ARG H . 27352 1 319 . 1 1 72 72 ARG C C 13 173.529 0.3 . 1 . . . . . 72 ARG C . 27352 1 320 . 1 1 72 72 ARG CA C 13 56.069 0.3 . 1 . . . . . 72 ARG CA . 27352 1 321 . 1 1 72 72 ARG CB C 13 35.318 0.3 . 1 . . . . . 72 ARG CB . 27352 1 322 . 1 1 72 72 ARG N N 15 117.06 0.3 . 1 . . . . . 72 ARG N . 27352 1 323 . 1 1 73 73 CYS H H 1 8.6684 0.03 . 1 . . . . . 73 CYS H . 27352 1 324 . 1 1 73 73 CYS C C 13 177.986 0.3 . 1 . . . . . 73 CYS C . 27352 1 325 . 1 1 73 73 CYS CA C 13 56.714 0.3 . 1 . . . . . 73 CYS CA . 27352 1 326 . 1 1 73 73 CYS CB C 13 40.408 0.3 . 1 . . . . . 73 CYS CB . 27352 1 327 . 1 1 73 73 CYS N N 15 130.29 0.3 . 1 . . . . . 73 CYS N . 27352 1 328 . 1 1 74 74 GLN H H 1 8.2954 0.03 . 1 . . . . . 74 GLN H . 27352 1 329 . 1 1 74 74 GLN C C 13 173.002 0.3 . 1 . . . . . 74 GLN C . 27352 1 330 . 1 1 74 74 GLN CA C 13 57.623 0.3 . 1 . . . . . 74 GLN CA . 27352 1 331 . 1 1 74 74 GLN CB C 13 43.199 0.3 . 1 . . . . . 74 GLN CB . 27352 1 332 . 1 1 74 74 GLN N N 15 116.855 0.3 . 1 . . . . . 74 GLN N . 27352 1 333 . 1 1 75 75 THR H H 1 7.8244 0.03 . 1 . . . . . 75 THR H . 27352 1 334 . 1 1 75 75 THR CA C 13 61.933 0.3 . 1 . . . . . 75 THR CA . 27352 1 335 . 1 1 75 75 THR CB C 13 72.672 0.3 . 1 . . . . . 75 THR CB . 27352 1 336 . 1 1 75 75 THR N N 15 113.855 0.3 . 1 . . . . . 75 THR N . 27352 1 337 . 1 1 76 76 ASN C C 13 177.869 0.3 . 1 . . . . . 76 ASN C . 27352 1 338 . 1 1 76 76 ASN CA C 13 58.004 0.3 . 1 . . . . . 76 ASN CA . 27352 1 339 . 1 1 77 77 LEU H H 1 7.5884 0.03 . 1 . . . . . 77 LEU H . 27352 1 340 . 1 1 77 77 LEU C C 13 176.344 0.3 . 1 . . . . . 77 LEU C . 27352 1 341 . 1 1 77 77 LEU CA C 13 55.014 0.3 . 1 . . . . . 77 LEU CA . 27352 1 342 . 1 1 77 77 LEU CB C 13 49.028 0.3 . 1 . . . . . 77 LEU CB . 27352 1 343 . 1 1 77 77 LEU N N 15 117.419 0.3 . 1 . . . . . 77 LEU N . 27352 1 344 . 1 1 78 78 SER H H 1 7.4974 0.03 . 1 . . . . . 78 SER H . 27352 1 345 . 1 1 78 78 SER C C 13 173.705 0.3 . 1 . . . . . 78 SER C . 27352 1 346 . 1 1 78 78 SER CA C 13 59.382 0.3 . 1 . . . . . 78 SER CA . 27352 1 347 . 1 1 78 78 SER CB C 13 67.828 0.3 . 1 . . . . . 78 SER CB . 27352 1 348 . 1 1 78 78 SER N N 15 115.464 0.3 . 1 . . . . . 78 SER N . 27352 1 349 . 1 1 79 79 THR H H 1 8.5154 0.03 . 1 . . . . . 79 THR H . 27352 1 350 . 1 1 79 79 THR C C 13 174.995 0.3 . 1 . . . . . 79 THR C . 27352 1 351 . 1 1 79 79 THR CA C 13 62.989 0.3 . 1 . . . . . 79 THR CA . 27352 1 352 . 1 1 79 79 THR CB C 13 71.522 0.3 . 1 . . . . . 79 THR CB . 27352 1 353 . 1 1 79 79 THR N N 15 112.882 0.3 . 1 . . . . . 79 THR N . 27352 1 354 . 1 1 80 80 LEU H H 1 7.7394 0.03 . 1 . . . . . 80 LEU H . 27352 1 355 . 1 1 80 80 LEU C C 13 180.156 0.3 . 1 . . . . . 80 LEU C . 27352 1 356 . 1 1 80 80 LEU CA C 13 58.063 0.3 . 1 . . . . . 80 LEU CA . 27352 1 357 . 1 1 80 80 LEU CB C 13 43.856 0.3 . 1 . . . . . 80 LEU CB . 27352 1 358 . 1 1 80 80 LEU N N 15 121.359 0.3 . 1 . . . . . 80 LEU N . 27352 1 359 . 1 1 81 81 SER H H 1 9.0044 0.03 . 1 . . . . . 81 SER H . 27352 1 360 . 1 1 81 81 SER C C 13 176.637 0.3 . 1 . . . . . 81 SER C . 27352 1 361 . 1 1 81 81 SER CA C 13 60.936 0.3 . 1 . . . . . 81 SER CA . 27352 1 362 . 1 1 81 81 SER CB C 13 67.746 0.3 . 1 . . . . . 81 SER CB . 27352 1 363 . 1 1 81 81 SER N N 15 122.868 0.3 . 1 . . . . . 81 SER N . 27352 1 364 . 1 1 82 82 ASP H H 1 8.9954 0.03 . 1 . . . . . 82 ASP H . 27352 1 365 . 1 1 82 82 ASP C C 13 177.927 0.3 . 1 . . . . . 82 ASP C . 27352 1 366 . 1 1 82 82 ASP CA C 13 55.834 0.3 . 1 . . . . . 82 ASP CA . 27352 1 367 . 1 1 82 82 ASP CB C 13 39.751 0.3 . 1 . . . . . 82 ASP CB . 27352 1 368 . 1 1 82 82 ASP N N 15 121.452 0.3 . 1 . . . . . 82 ASP N . 27352 1 369 . 1 1 83 83 PRO C C 13 180.683 0.3 . 1 . . . . . 83 PRO C . 27352 1 370 . 1 1 83 83 PRO CA C 13 64.923 0.3 . 1 . . . . . 83 PRO CA . 27352 1 371 . 1 1 84 84 VAL H H 1 8.8604 0.03 . 1 . . . . . 84 VAL H . 27352 1 372 . 1 1 84 84 VAL C C 13 175.758 0.3 . 1 . . . . . 84 VAL C . 27352 1 373 . 1 1 84 84 VAL CA C 13 62.783 0.3 . 1 . . . . . 84 VAL CA . 27352 1 374 . 1 1 84 84 VAL CB C 13 35.975 0.3 . 1 . . . . . 84 VAL CB . 27352 1 375 . 1 1 84 84 VAL N N 15 119.429 0.3 . 1 . . . . . 84 VAL N . 27352 1 376 . 1 1 85 85 GLN H H 1 8.2514 0.03 . 1 . . . . . 85 GLN H . 27352 1 377 . 1 1 85 85 GLN C C 13 175.113 0.3 . 1 . . . . . 85 GLN C . 27352 1 378 . 1 1 85 85 GLN CA C 13 56.509 0.3 . 1 . . . . . 85 GLN CA . 27352 1 379 . 1 1 85 85 GLN CB C 13 30.803 0.3 . 1 . . . . . 85 GLN CB . 27352 1 380 . 1 1 85 85 GLN N N 15 125.082 0.3 . 1 . . . . . 85 GLN N . 27352 1 381 . 1 1 86 86 LEU H H 1 9.1174 0.03 . 1 . . . . . 86 LEU H . 27352 1 382 . 1 1 86 86 LEU C C 13 180.097 0.3 . 1 . . . . . 86 LEU C . 27352 1 383 . 1 1 86 86 LEU CA C 13 54.984 0.3 . 1 . . . . . 86 LEU CA . 27352 1 384 . 1 1 86 86 LEU CB C 13 47.058 0.3 . 1 . . . . . 86 LEU CB . 27352 1 385 . 1 1 86 86 LEU N N 15 125.577 0.3 . 1 . . . . . 86 LEU N . 27352 1 386 . 1 1 87 87 GLU H H 1 9.6004 0.03 . 1 . . . . . 87 GLU H . 27352 1 387 . 1 1 87 87 GLU C C 13 174.937 0.3 . 1 . . . . . 87 GLU C . 27352 1 388 . 1 1 87 87 GLU CA C 13 56.656 0.3 . 1 . . . . . 87 GLU CA . 27352 1 389 . 1 1 87 87 GLU CB C 13 33.512 0.3 . 1 . . . . . 87 GLU CB . 27352 1 390 . 1 1 87 87 GLU N N 15 127.745 0.3 . 1 . . . . . 87 GLU N . 27352 1 391 . 1 1 88 88 VAL H H 1 8.1404 0.03 . 1 . . . . . 88 VAL H . 27352 1 392 . 1 1 88 88 VAL C C 13 176.872 0.3 . 1 . . . . . 88 VAL C . 27352 1 393 . 1 1 88 88 VAL CA C 13 62.784 0.3 . 1 . . . . . 88 VAL CA . 27352 1 394 . 1 1 88 88 VAL CB C 13 33.676 0.3 . 1 . . . . . 88 VAL CB . 27352 1 395 . 1 1 88 88 VAL N N 15 124.532 0.3 . 1 . . . . . 88 VAL N . 27352 1 396 . 1 1 89 89 HIS H H 1 9.3434 0.03 . 1 . . . . . 89 HIS H . 27352 1 397 . 1 1 89 89 HIS C C 13 173.295 0.3 . 1 . . . . . 89 HIS C . 27352 1 398 . 1 1 89 89 HIS CA C 13 56.919 0.3 . 1 . . . . . 89 HIS CA . 27352 1 399 . 1 1 89 89 HIS CB C 13 33.512 0.3 . 1 . . . . . 89 HIS CB . 27352 1 400 . 1 1 89 89 HIS N N 15 125.209 0.3 . 1 . . . . . 89 HIS N . 27352 1 401 . 1 1 90 90 ILE H H 1 8.3834 0.03 . 1 . . . . . 90 ILE H . 27352 1 402 . 1 1 90 90 ILE C C 13 177.927 0.3 . 1 . . . . . 90 ILE C . 27352 1 403 . 1 1 90 90 ILE CA C 13 61.787 0.3 . 1 . . . . . 90 ILE CA . 27352 1 404 . 1 1 90 90 ILE CB C 13 39.669 0.3 . 1 . . . . . 90 ILE CB . 27352 1 405 . 1 1 90 90 ILE N N 15 119.332 0.3 . 1 . . . . . 90 ILE N . 27352 1 406 . 1 1 91 91 GLY H H 1 8.1214 0.03 . 1 . . . . . 91 GLY H . 27352 1 407 . 1 1 91 91 GLY C C 13 169.982 0.3 . 1 . . . . . 91 GLY C . 27352 1 408 . 1 1 91 91 GLY CA C 13 45.865 0.3 . 1 . . . . . 91 GLY CA . 27352 1 409 . 1 1 91 91 GLY N N 15 113.808 0.3 . 1 . . . . . 91 GLY N . 27352 1 410 . 1 1 92 92 TRP H H 1 8.1054 0.03 . 1 . . . . . 92 TRP H . 27352 1 411 . 1 1 92 92 TRP C C 13 178.572 0.3 . 1 . . . . . 92 TRP C . 27352 1 412 . 1 1 92 92 TRP CA C 13 61.142 0.3 . 1 . . . . . 92 TRP CA . 27352 1 413 . 1 1 92 92 TRP CB C 13 33.019 0.3 . 1 . . . . . 92 TRP CB . 27352 1 414 . 1 1 92 92 TRP N N 15 115.751 0.3 . 1 . . . . . 92 TRP N . 27352 1 415 . 1 1 93 93 LEU H H 1 7.5824 0.03 . 1 . . . . . 93 LEU H . 27352 1 416 . 1 1 93 93 LEU C C 13 176.051 0.3 . 1 . . . . . 93 LEU C . 27352 1 417 . 1 1 93 93 LEU CA C 13 55.122 0.3 . 1 . . . . . 93 LEU CA . 27352 1 418 . 1 1 93 93 LEU CB C 13 49.028 0.3 . 1 . . . . . 93 LEU CB . 27352 1 419 . 1 1 93 93 LEU N N 15 117.345 0.3 . 1 . . . . . 93 LEU N . 27352 1 420 . 1 1 94 94 LEU H H 1 9.0114 0.03 . 1 . . . . . 94 LEU H . 27352 1 421 . 1 1 94 94 LEU C C 13 173.823 0.3 . 1 . . . . . 94 LEU C . 27352 1 422 . 1 1 94 94 LEU CA C 13 55.717 0.3 . 1 . . . . . 94 LEU CA . 27352 1 423 . 1 1 94 94 LEU CB C 13 49.028 0.3 . 1 . . . . . 94 LEU CB . 27352 1 424 . 1 1 94 94 LEU N N 15 126.878 0.3 . 1 . . . . . 94 LEU N . 27352 1 425 . 1 1 95 95 LEU H H 1 9.0964 0.03 . 1 . . . . . 95 LEU H . 27352 1 426 . 1 1 95 95 LEU C C 13 175.64 0.3 . 1 . . . . . 95 LEU C . 27352 1 427 . 1 1 95 95 LEU CA C 13 55.453 0.3 . 1 . . . . . 95 LEU CA . 27352 1 428 . 1 1 95 95 LEU CB C 13 41.557 0.3 . 1 . . . . . 95 LEU CB . 27352 1 429 . 1 1 95 95 LEU N N 15 131.39 0.3 . 1 . . . . . 95 LEU N . 27352 1 430 . 1 1 96 96 GLN H H 1 9.3204 0.03 . 1 . . . . . 96 GLN H . 27352 1 431 . 1 1 96 96 GLN C C 13 173.998 0.3 . 1 . . . . . 96 GLN C . 27352 1 432 . 1 1 96 96 GLN CA C 13 56.802 0.3 . 1 . . . . . 96 GLN CA . 27352 1 433 . 1 1 96 96 GLN CB C 13 33.266 0.3 . 1 . . . . . 96 GLN CB . 27352 1 434 . 1 1 96 96 GLN N N 15 126.362 0.3 . 1 . . . . . 96 GLN N . 27352 1 435 . 1 1 97 97 ALA H H 1 8.0904 0.03 . 1 . . . . . 97 ALA H . 27352 1 436 . 1 1 97 97 ALA CA C 13 51.554 0.3 . 1 . . . . . 97 ALA CA . 27352 1 437 . 1 1 97 97 ALA CB C 13 20.377 0.3 . 1 . . . . . 97 ALA CB . 27352 1 438 . 1 1 97 97 ALA N N 15 121.363 0.3 . 1 . . . . . 97 ALA N . 27352 1 439 . 1 1 98 98 PRO CA C 13 65.92 0.3 . 1 . . . . . 98 PRO CA . 27352 1 440 . 1 1 99 99 ARG H H 1 7.6404 0.03 . 1 . . . . . 99 ARG H . 27352 1 441 . 1 1 99 99 ARG C C 13 171.829 0.3 . 1 . . . . . 99 ARG C . 27352 1 442 . 1 1 99 99 ARG CA C 13 55.688 0.3 . 1 . . . . . 99 ARG CA . 27352 1 443 . 1 1 99 99 ARG N N 15 110.049 0.3 . 1 . . . . . 99 ARG N . 27352 1 444 . 1 1 100 100 TRP H H 1 7.6104 0.03 . 1 . . . . . 100 TRP H . 27352 1 445 . 1 1 100 100 TRP C C 13 175.406 0.3 . 1 . . . . . 100 TRP C . 27352 1 446 . 1 1 100 100 TRP CA C 13 58.796 0.3 . 1 . . . . . 100 TRP CA . 27352 1 447 . 1 1 100 100 TRP CB C 13 31.378 0.3 . 1 . . . . . 100 TRP CB . 27352 1 448 . 1 1 100 100 TRP N N 15 112.643 0.3 . 1 . . . . . 100 TRP N . 27352 1 449 . 1 1 101 101 VAL H H 1 6.5304 0.03 . 1 . . . . . 101 VAL H . 27352 1 450 . 1 1 101 101 VAL C C 13 174.409 0.3 . 1 . . . . . 101 VAL C . 27352 1 451 . 1 1 101 101 VAL CA C 13 62.226 0.3 . 1 . . . . . 101 VAL CA . 27352 1 452 . 1 1 101 101 VAL CB C 13 34.661 0.3 . 1 . . . . . 101 VAL CB . 27352 1 453 . 1 1 101 101 VAL N N 15 120.56 0.3 . 1 . . . . . 101 VAL N . 27352 1 454 . 1 1 102 102 PHE H H 1 8.8174 0.03 . 1 . . . . . 102 PHE H . 27352 1 455 . 1 1 102 102 PHE C C 13 175.113 0.3 . 1 . . . . . 102 PHE C . 27352 1 456 . 1 1 102 102 PHE CA C 13 57.711 0.3 . 1 . . . . . 102 PHE CA . 27352 1 457 . 1 1 102 102 PHE CB C 13 44.267 0.3 . 1 . . . . . 102 PHE CB . 27352 1 458 . 1 1 102 102 PHE N N 15 125.079 0.3 . 1 . . . . . 102 PHE N . 27352 1 459 . 1 1 103 103 LYS H H 1 8.7974 0.03 . 1 . . . . . 103 LYS H . 27352 1 460 . 1 1 103 103 LYS C C 13 179.745 0.3 . 1 . . . . . 103 LYS C . 27352 1 461 . 1 1 103 103 LYS CA C 13 56.279 0.3 . 1 . . . . . 103 LYS CA . 27352 1 462 . 1 1 103 103 LYS CB C 13 35.072 0.3 . 1 . . . . . 103 LYS CB . 27352 1 463 . 1 1 103 103 LYS N N 15 121.878 0.3 . 1 . . . . . 103 LYS N . 27352 1 464 . 1 1 104 104 GLU H H 1 7.9494 0.03 . 1 . . . . . 104 GLU H . 27352 1 465 . 1 1 104 104 GLU C C 13 179.159 0.3 . 1 . . . . . 104 GLU C . 27352 1 466 . 1 1 104 104 GLU CA C 13 60.701 0.3 . 1 . . . . . 104 GLU CA . 27352 1 467 . 1 1 104 104 GLU CB C 13 31.87 0.3 . 1 . . . . . 104 GLU CB . 27352 1 468 . 1 1 104 104 GLU N N 15 120.62 0.3 . 1 . . . . . 104 GLU N . 27352 1 469 . 1 1 105 105 GLU H H 1 9.2924 0.03 . 1 . . . . . 105 GLU H . 27352 1 470 . 1 1 105 105 GLU C C 13 177.165 0.3 . 1 . . . . . 105 GLU C . 27352 1 471 . 1 1 105 105 GLU CA C 13 61.523 0.3 . 1 . . . . . 105 GLU CA . 27352 1 472 . 1 1 105 105 GLU CB C 13 29.079 0.3 . 1 . . . . . 105 GLU CB . 27352 1 473 . 1 1 105 105 GLU N N 15 115.722 0.3 . 1 . . . . . 105 GLU N . 27352 1 474 . 1 1 106 106 ASP H H 1 8.3834 0.03 . 1 . . . . . 106 ASP H . 27352 1 475 . 1 1 106 106 ASP CA C 13 56.479 0.3 . 1 . . . . . 106 ASP CA . 27352 1 476 . 1 1 106 106 ASP CB C 13 42.05 0.3 . 1 . . . . . 106 ASP CB . 27352 1 477 . 1 1 106 106 ASP N N 15 122.764 0.3 . 1 . . . . . 106 ASP N . 27352 1 478 . 1 1 107 107 PRO C C 13 181.328 0.3 . 1 . . . . . 107 PRO C . 27352 1 479 . 1 1 107 107 PRO CA C 13 63.868 0.3 . 1 . . . . . 107 PRO CA . 27352 1 480 . 1 1 108 108 ILE H H 1 8.6794 0.03 . 1 . . . . . 108 ILE H . 27352 1 481 . 1 1 108 108 ILE C C 13 174.643 0.3 . 1 . . . . . 108 ILE C . 27352 1 482 . 1 1 108 108 ILE CA C 13 62.959 0.3 . 1 . . . . . 108 ILE CA . 27352 1 483 . 1 1 108 108 ILE CB C 13 40.819 0.3 . 1 . . . . . 108 ILE CB . 27352 1 484 . 1 1 108 108 ILE N N 15 121.24 0.3 . 1 . . . . . 108 ILE N . 27352 1 485 . 1 1 109 109 HIS H H 1 7.4404 0.03 . 1 . . . . . 109 HIS H . 27352 1 486 . 1 1 109 109 HIS C C 13 171.418 0.3 . 1 . . . . . 109 HIS C . 27352 1 487 . 1 1 109 109 HIS CA C 13 54.544 0.3 . 1 . . . . . 109 HIS CA . 27352 1 488 . 1 1 109 109 HIS CB C 13 34.005 0.3 . 1 . . . . . 109 HIS CB . 27352 1 489 . 1 1 109 109 HIS N N 15 131.036 0.3 . 1 . . . . . 109 HIS N . 27352 1 490 . 1 1 110 110 LEU H H 1 8.7244 0.03 . 1 . . . . . 110 LEU H . 27352 1 491 . 1 1 110 110 LEU C C 13 177.517 0.3 . 1 . . . . . 110 LEU C . 27352 1 492 . 1 1 110 110 LEU CA C 13 54.418 0.3 . 1 . . . . . 110 LEU CA . 27352 1 493 . 1 1 110 110 LEU CB C 13 46.073 0.3 . 1 . . . . . 110 LEU CB . 27352 1 494 . 1 1 110 110 LEU N N 15 122.62 0.3 . 1 . . . . . 110 LEU N . 27352 1 495 . 1 1 111 111 ARG H H 1 8.4934 0.03 . 1 . . . . . 111 ARG H . 27352 1 496 . 1 1 111 111 ARG C C 13 174.526 0.3 . 1 . . . . . 111 ARG C . 27352 1 497 . 1 1 111 111 ARG CA C 13 55.981 0.3 . 1 . . . . . 111 ARG CA . 27352 1 498 . 1 1 111 111 ARG CB C 13 35.072 0.3 . 1 . . . . . 111 ARG CB . 27352 1 499 . 1 1 111 111 ARG N N 15 121.926 0.3 . 1 . . . . . 111 ARG N . 27352 1 500 . 1 1 112 112 CYS H H 1 8.3694 0.03 . 1 . . . . . 112 CYS H . 27352 1 501 . 1 1 112 112 CYS C C 13 171.77 0.3 . 1 . . . . . 112 CYS C . 27352 1 502 . 1 1 112 112 CYS CA C 13 56.098 0.3 . 1 . . . . . 112 CYS CA . 27352 1 503 . 1 1 112 112 CYS CB C 13 52.558 0.3 . 1 . . . . . 112 CYS CB . 27352 1 504 . 1 1 112 112 CYS N N 15 115.031 0.3 . 1 . . . . . 112 CYS N . 27352 1 505 . 1 1 113 113 HIS H H 1 9.0524 0.03 . 1 . . . . . 113 HIS H . 27352 1 506 . 1 1 113 113 HIS C C 13 172.181 0.3 . 1 . . . . . 113 HIS C . 27352 1 507 . 1 1 113 113 HIS CA C 13 54.778 0.3 . 1 . . . . . 113 HIS CA . 27352 1 508 . 1 1 113 113 HIS N N 15 125.585 0.3 . 1 . . . . . 113 HIS N . 27352 1 509 . 1 1 114 114 SER H H 1 7.9204 0.03 . 1 . . . . . 114 SER H . 27352 1 510 . 1 1 114 114 SER C C 13 174.878 0.3 . 1 . . . . . 114 SER C . 27352 1 511 . 1 1 114 114 SER CA C 13 56.48 0.3 . 1 . . . . . 114 SER CA . 27352 1 512 . 1 1 114 114 SER CB C 13 67.253 0.3 . 1 . . . . . 114 SER CB . 27352 1 513 . 1 1 114 114 SER N N 15 120.22 0.3 . 1 . . . . . 114 SER N . 27352 1 514 . 1 1 115 115 TRP H H 1 8.0474 0.03 . 1 . . . . . 115 TRP H . 27352 1 515 . 1 1 115 115 TRP C C 13 180.038 0.3 . 1 . . . . . 115 TRP C . 27352 1 516 . 1 1 115 115 TRP CA C 13 60.115 0.3 . 1 . . . . . 115 TRP CA . 27352 1 517 . 1 1 115 115 TRP CB C 13 30.31 0.3 . 1 . . . . . 115 TRP CB . 27352 1 518 . 1 1 115 115 TRP N N 15 123.267 0.3 . 1 . . . . . 115 TRP N . 27352 1 519 . 1 1 116 116 LYS H H 1 9.5804 0.03 . 1 . . . . . 116 LYS H . 27352 1 520 . 1 1 116 116 LYS C C 13 181.915 0.3 . 1 . . . . . 116 LYS C . 27352 1 521 . 1 1 116 116 LYS CA C 13 58.884 0.3 . 1 . . . . . 116 LYS CA . 27352 1 522 . 1 1 116 116 LYS CB C 13 30.31 0.3 . 1 . . . . . 116 LYS CB . 27352 1 523 . 1 1 116 116 LYS N N 15 126.238 0.3 . 1 . . . . . 116 LYS N . 27352 1 524 . 1 1 117 117 ASN H H 1 8.5054 0.03 . 1 . . . . . 117 ASN H . 27352 1 525 . 1 1 117 117 ASN C C 13 177.634 0.3 . 1 . . . . . 117 ASN C . 27352 1 526 . 1 1 117 117 ASN CA C 13 56.069 0.3 . 1 . . . . . 117 ASN CA . 27352 1 527 . 1 1 117 117 ASN CB C 13 38.766 0.3 . 1 . . . . . 117 ASN CB . 27352 1 528 . 1 1 117 117 ASN N N 15 114.276 0.3 . 1 . . . . . 117 ASN N . 27352 1 529 . 1 1 118 118 THR H H 1 7.4914 0.03 . 1 . . . . . 118 THR H . 27352 1 530 . 1 1 118 118 THR C C 13 176.52 0.3 . 1 . . . . . 118 THR C . 27352 1 531 . 1 1 118 118 THR CA C 13 65.598 0.3 . 1 . . . . . 118 THR CA . 27352 1 532 . 1 1 118 118 THR CB C 13 71.604 0.3 . 1 . . . . . 118 THR CB . 27352 1 533 . 1 1 118 118 THR N N 15 116.198 0.3 . 1 . . . . . 118 THR N . 27352 1 534 . 1 1 119 119 ALA H H 1 8.5854 0.03 . 1 . . . . . 119 ALA H . 27352 1 535 . 1 1 119 119 ALA C C 13 177.282 0.3 . 1 . . . . . 119 ALA C . 27352 1 536 . 1 1 119 119 ALA CA C 13 55.658 0.3 . 1 . . . . . 119 ALA CA . 27352 1 537 . 1 1 119 119 ALA CB C 13 19.72 0.3 . 1 . . . . . 119 ALA CB . 27352 1 538 . 1 1 119 119 ALA N N 15 129.557 0.3 . 1 . . . . . 119 ALA N . 27352 1 539 . 1 1 120 120 LEU H H 1 7.8134 0.03 . 1 . . . . . 120 LEU H . 27352 1 540 . 1 1 120 120 LEU C C 13 177.048 0.3 . 1 . . . . . 120 LEU C . 27352 1 541 . 1 1 120 120 LEU CA C 13 54.984 0.3 . 1 . . . . . 120 LEU CA . 27352 1 542 . 1 1 120 120 LEU CB C 13 46.319 0.3 . 1 . . . . . 120 LEU CB . 27352 1 543 . 1 1 120 120 LEU N N 15 125.284 0.3 . 1 . . . . . 120 LEU N . 27352 1 544 . 1 1 121 121 HIS H H 1 8.7594 0.03 . 1 . . . . . 121 HIS H . 27352 1 545 . 1 1 121 121 HIS C C 13 172.474 0.3 . 1 . . . . . 121 HIS C . 27352 1 546 . 1 1 121 121 HIS CA C 13 56.098 0.3 . 1 . . . . . 121 HIS CA . 27352 1 547 . 1 1 121 121 HIS CB C 13 35.236 0.3 . 1 . . . . . 121 HIS CB . 27352 1 548 . 1 1 121 121 HIS N N 15 123.557 0.3 . 1 . . . . . 121 HIS N . 27352 1 549 . 1 1 122 122 LYS H H 1 8.6664 0.03 . 1 . . . . . 122 LYS H . 27352 1 550 . 1 1 122 122 LYS C C 13 177.341 0.3 . 1 . . . . . 122 LYS C . 27352 1 551 . 1 1 122 122 LYS CA C 13 59.47 0.3 . 1 . . . . . 122 LYS CA . 27352 1 552 . 1 1 122 122 LYS CB C 13 30.721 0.3 . 1 . . . . . 122 LYS CB . 27352 1 553 . 1 1 122 122 LYS N N 15 118.706 0.3 . 1 . . . . . 122 LYS N . 27352 1 554 . 1 1 123 123 VAL H H 1 7.8804 0.03 . 1 . . . . . 123 VAL H . 27352 1 555 . 1 1 123 123 VAL C C 13 176.696 0.3 . 1 . . . . . 123 VAL C . 27352 1 556 . 1 1 123 123 VAL CA C 13 63.105 0.3 . 1 . . . . . 123 VAL CA . 27352 1 557 . 1 1 123 123 VAL CB C 13 35.154 0.3 . 1 . . . . . 123 VAL CB . 27352 1 558 . 1 1 123 123 VAL N N 15 121.737 0.3 . 1 . . . . . 123 VAL N . 27352 1 559 . 1 1 124 124 THR H H 1 8.8294 0.03 . 1 . . . . . 124 THR H . 27352 1 560 . 1 1 124 124 THR C C 13 174.819 0.3 . 1 . . . . . 124 THR C . 27352 1 561 . 1 1 124 124 THR CA C 13 62.813 0.3 . 1 . . . . . 124 THR CA . 27352 1 562 . 1 1 124 124 THR CB C 13 72.59 0.3 . 1 . . . . . 124 THR CB . 27352 1 563 . 1 1 124 124 THR N N 15 120.653 0.3 . 1 . . . . . 124 THR N . 27352 1 564 . 1 1 125 125 TYR H H 1 9.0494 0.03 . 1 . . . . . 125 TYR H . 27352 1 565 . 1 1 125 125 TYR C C 13 175.992 0.3 . 1 . . . . . 125 TYR C . 27352 1 566 . 1 1 125 125 TYR CA C 13 59.382 0.3 . 1 . . . . . 125 TYR CA . 27352 1 567 . 1 1 125 125 TYR CB C 13 40.901 0.3 . 1 . . . . . 125 TYR CB . 27352 1 568 . 1 1 125 125 TYR N N 15 123.74 0.3 . 1 . . . . . 125 TYR N . 27352 1 569 . 1 1 126 126 LEU H H 1 8.9154 0.03 . 1 . . . . . 126 LEU H . 27352 1 570 . 1 1 126 126 LEU CA C 13 58.473 0.3 . 1 . . . . . 126 LEU CA . 27352 1 571 . 1 1 126 126 LEU CB C 13 45.088 0.3 . 1 . . . . . 126 LEU CB . 27352 1 572 . 1 1 126 126 LEU N N 15 125.463 0.3 . 1 . . . . . 126 LEU N . 27352 1 573 . 1 1 127 127 GLN C C 13 178.69 0.3 . 1 . . . . . 127 GLN C . 27352 1 574 . 1 1 127 127 GLN CA C 13 54.72 0.3 . 1 . . . . . 127 GLN CA . 27352 1 575 . 1 1 128 128 ASN H H 1 10.0624 0.03 . 1 . . . . . 128 ASN H . 27352 1 576 . 1 1 128 128 ASN C C 13 177.4 0.3 . 1 . . . . . 128 ASN C . 27352 1 577 . 1 1 128 128 ASN CA C 13 55.834 0.3 . 1 . . . . . 128 ASN CA . 27352 1 578 . 1 1 128 128 ASN CB C 13 38.356 0.3 . 1 . . . . . 128 ASN CB . 27352 1 579 . 1 1 128 128 ASN N N 15 129.519 0.3 . 1 . . . . . 128 ASN N . 27352 1 580 . 1 1 129 129 GLY H H 1 9.2664 0.03 . 1 . . . . . 129 GLY H . 27352 1 581 . 1 1 129 129 GLY C C 13 173.588 0.3 . 1 . . . . . 129 GLY C . 27352 1 582 . 1 1 129 129 GLY CA C 13 47.097 0.3 . 1 . . . . . 129 GLY CA . 27352 1 583 . 1 1 129 129 GLY N N 15 102.700 0.3 . 1 . . . . . 129 GLY N . 27352 1 584 . 1 1 130 130 LYS H H 1 7.8444 0.03 . 1 . . . . . 130 LYS H . 27352 1 585 . 1 1 130 130 LYS CA C 13 56.069 0.3 . 1 . . . . . 130 LYS CA . 27352 1 586 . 1 1 130 130 LYS CB C 13 35.647 0.3 . 1 . . . . . 130 LYS CB . 27352 1 587 . 1 1 130 130 LYS N N 15 121.551 0.3 . 1 . . . . . 130 LYS N . 27352 1 588 . 1 1 131 131 ASP C C 13 178.045 0.3 . 1 . . . . . 131 ASP C . 27352 1 589 . 1 1 131 131 ASP CA C 13 57.887 0.3 . 1 . . . . . 131 ASP CA . 27352 1 590 . 1 1 132 132 ARG H H 1 9.1874 0.03 . 1 . . . . . 132 ARG H . 27352 1 591 . 1 1 132 132 ARG C C 13 177.458 0.3 . 1 . . . . . 132 ARG C . 27352 1 592 . 1 1 132 132 ARG CA C 13 57.359 0.3 . 1 . . . . . 132 ARG CA . 27352 1 593 . 1 1 132 132 ARG CB C 13 31.87 0.3 . 1 . . . . . 132 ARG CB . 27352 1 594 . 1 1 132 132 ARG N N 15 124.182 0.3 . 1 . . . . . 132 ARG N . 27352 1 595 . 1 1 133 133 LYS H H 1 7.6054 0.03 . 1 . . . . . 133 LYS H . 27352 1 596 . 1 1 133 133 LYS C C 13 171.829 0.3 . 1 . . . . . 133 LYS C . 27352 1 597 . 1 1 133 133 LYS CA C 13 56.743 0.3 . 1 . . . . . 133 LYS CA . 27352 1 598 . 1 1 133 133 LYS CB C 13 36.706 0.3 . 1 . . . . . 133 LYS CB . 27352 1 599 . 1 1 133 133 LYS N N 15 118.722 0.3 . 1 . . . . . 133 LYS N . 27352 1 600 . 1 1 134 134 TYR H H 1 7.9554 0.03 . 1 . . . . . 134 TYR H . 27352 1 601 . 1 1 134 134 TYR C C 13 174.233 0.3 . 1 . . . . . 134 TYR C . 27352 1 602 . 1 1 134 134 TYR CA C 13 57.77 0.3 . 1 . . . . . 134 TYR CA . 27352 1 603 . 1 1 134 134 TYR CB C 13 42.543 0.3 . 1 . . . . . 134 TYR CB . 27352 1 604 . 1 1 134 134 TYR N N 15 127.558 0.3 . 1 . . . . . 134 TYR N . 27352 1 605 . 1 1 135 135 PHE H H 1 8.8454 0.03 . 1 . . . . . 135 PHE H . 27352 1 606 . 1 1 135 135 PHE CA C 13 57.769 0.3 . 1 . . . . . 135 PHE CA . 27352 1 607 . 1 1 135 135 PHE CB C 13 45.416 0.3 . 1 . . . . . 135 PHE CB . 27352 1 608 . 1 1 135 135 PHE N N 15 125.361 0.3 . 1 . . . . . 135 PHE N . 27352 1 609 . 1 1 136 136 HIS C C 13 180.566 0.3 . 1 . . . . . 136 HIS C . 27352 1 610 . 1 1 136 136 HIS CA C 13 61.405 0.3 . 1 . . . . . 136 HIS CA . 27352 1 611 . 1 1 137 137 HIS H H 1 8.2324 0.03 . 1 . . . . . 137 HIS H . 27352 1 612 . 1 1 137 137 HIS C C 13 170.715 0.3 . 1 . . . . . 137 HIS C . 27352 1 613 . 1 1 137 137 HIS CA C 13 56.127 0.3 . 1 . . . . . 137 HIS CA . 27352 1 614 . 1 1 137 137 HIS CB C 13 32.691 0.3 . 1 . . . . . 137 HIS CB . 27352 1 615 . 1 1 137 137 HIS N N 15 117.19 0.3 . 1 . . . . . 137 HIS N . 27352 1 616 . 1 1 138 138 ASN H H 1 8.4734 0.03 . 1 . . . . . 138 ASN H . 27352 1 617 . 1 1 138 138 ASN C C 13 176.755 0.3 . 1 . . . . . 138 ASN C . 27352 1 618 . 1 1 138 138 ASN CA C 13 57.154 0.3 . 1 . . . . . 138 ASN CA . 27352 1 619 . 1 1 138 138 ASN CB C 13 34.826 0.3 . 1 . . . . . 138 ASN CB . 27352 1 620 . 1 1 138 138 ASN N N 15 118.28 0.3 . 1 . . . . . 138 ASN N . 27352 1 621 . 1 1 139 139 SER H H 1 7.3734 0.03 . 1 . . . . . 139 SER H . 27352 1 622 . 1 1 139 139 SER C C 13 172.415 0.3 . 1 . . . . . 139 SER C . 27352 1 623 . 1 1 139 139 SER CA C 13 58.473 0.3 . 1 . . . . . 139 SER CA . 27352 1 624 . 1 1 139 139 SER CB C 13 66.515 0.3 . 1 . . . . . 139 SER CB . 27352 1 625 . 1 1 139 139 SER N N 15 119.84 0.3 . 1 . . . . . 139 SER N . 27352 1 626 . 1 1 140 140 ASP H H 1 8.6714 0.03 . 1 . . . . . 140 ASP H . 27352 1 627 . 1 1 140 140 ASP C C 13 174.409 0.3 . 1 . . . . . 140 ASP C . 27352 1 628 . 1 1 140 140 ASP CA C 13 56.508 0.3 . 1 . . . . . 140 ASP CA . 27352 1 629 . 1 1 140 140 ASP CB C 13 41.311 0.3 . 1 . . . . . 140 ASP CB . 27352 1 630 . 1 1 140 140 ASP N N 15 127.554 0.3 . 1 . . . . . 140 ASP N . 27352 1 631 . 1 1 141 141 PHE H H 1 8.4174 0.03 . 1 . . . . . 141 PHE H . 27352 1 632 . 1 1 141 141 PHE C C 13 171.829 0.3 . 1 . . . . . 141 PHE C . 27352 1 633 . 1 1 141 141 PHE CA C 13 56.215 0.3 . 1 . . . . . 141 PHE CA . 27352 1 634 . 1 1 141 141 PHE CB C 13 40.49 0.3 . 1 . . . . . 141 PHE CB . 27352 1 635 . 1 1 141 141 PHE N N 15 122.809 0.3 . 1 . . . . . 141 PHE N . 27352 1 636 . 1 1 142 142 HIS H H 1 8.4604 0.03 . 1 . . . . . 142 HIS H . 27352 1 637 . 1 1 142 142 HIS C C 13 175.523 0.3 . 1 . . . . . 142 HIS C . 27352 1 638 . 1 1 142 142 HIS CA C 13 56.274 0.3 . 1 . . . . . 142 HIS CA . 27352 1 639 . 1 1 142 142 HIS CB C 13 33.84 0.3 . 1 . . . . . 142 HIS CB . 27352 1 640 . 1 1 142 142 HIS N N 15 126.212 0.3 . 1 . . . . . 142 HIS N . 27352 1 641 . 1 1 143 143 ILE H H 1 8.6584 0.03 . 1 . . . . . 143 ILE H . 27352 1 642 . 1 1 143 143 ILE CA C 13 60.174 0.3 . 1 . . . . . 143 ILE CA . 27352 1 643 . 1 1 143 143 ILE CB C 13 40.983 0.3 . 1 . . . . . 143 ILE CB . 27352 1 644 . 1 1 143 143 ILE N N 15 126.414 0.3 . 1 . . . . . 143 ILE N . 27352 1 645 . 1 1 144 144 PRO C C 13 178.572 0.3 . 1 . . . . . 144 PRO C . 27352 1 646 . 1 1 144 144 PRO CA C 13 66.917 0.3 . 1 . . . . . 144 PRO CA . 27352 1 647 . 1 1 145 145 LYS H H 1 7.0924 0.03 . 1 . . . . . 145 LYS H . 27352 1 648 . 1 1 145 145 LYS C C 13 175.992 0.3 . 1 . . . . . 145 LYS C . 27352 1 649 . 1 1 145 145 LYS CA C 13 56.362 0.3 . 1 . . . . . 145 LYS CA . 27352 1 650 . 1 1 145 145 LYS CB C 13 36.221 0.3 . 1 . . . . . 145 LYS CB . 27352 1 651 . 1 1 145 145 LYS N N 15 114.619 0.3 . 1 . . . . . 145 LYS N . 27352 1 652 . 1 1 146 146 ALA H H 1 8.7474 0.03 . 1 . . . . . 146 ALA H . 27352 1 653 . 1 1 146 146 ALA C C 13 182.794 0.3 . 1 . . . . . 146 ALA C . 27352 1 654 . 1 1 146 146 ALA CA C 13 54.602 0.3 . 1 . . . . . 146 ALA CA . 27352 1 655 . 1 1 146 146 ALA CB C 13 20.418 0.3 . 1 . . . . . 146 ALA CB . 27352 1 656 . 1 1 146 146 ALA N N 15 127.698 0.3 . 1 . . . . . 146 ALA N . 27352 1 657 . 1 1 147 147 THR H H 1 9.7114 0.03 . 1 . . . . . 147 THR H . 27352 1 658 . 1 1 147 147 THR C C 13 178.455 0.3 . 1 . . . . . 147 THR C . 27352 1 659 . 1 1 147 147 THR CA C 13 61.171 0.3 . 1 . . . . . 147 THR CA . 27352 1 660 . 1 1 147 147 THR CB C 13 74.806 0.3 . 1 . . . . . 147 THR CB . 27352 1 661 . 1 1 147 147 THR N N 15 115.381 0.3 . 1 . . . . . 147 THR N . 27352 1 662 . 1 1 148 148 LEU H H 1 9.0504 0.03 . 1 . . . . . 148 LEU H . 27352 1 663 . 1 1 148 148 LEU CA C 13 59.998 0.3 . 1 . . . . . 148 LEU CA . 27352 1 664 . 1 1 148 148 LEU CB C 13 41.886 0.3 . 1 . . . . . 148 LEU CB . 27352 1 665 . 1 1 148 148 LEU N N 15 121.34 0.3 . 1 . . . . . 148 LEU N . 27352 1 666 . 1 1 149 149 LYS H H 1 7.7654 0.03 . 1 . . . . . 149 LYS H . 27352 1 667 . 1 1 149 149 LYS C C 13 179.862 0.3 . 1 . . . . . 149 LYS C . 27352 1 668 . 1 1 149 149 LYS CA C 13 59.06 0.3 . 1 . . . . . 149 LYS CA . 27352 1 669 . 1 1 149 149 LYS CB C 13 32.527 0.3 . 1 . . . . . 149 LYS CB . 27352 1 670 . 1 1 149 149 LYS N N 15 117.036 0.3 . 1 . . . . . 149 LYS N . 27352 1 671 . 1 1 150 150 ASP H H 1 8.1384 0.03 . 1 . . . . . 150 ASP H . 27352 1 672 . 1 1 150 150 ASP C C 13 175.875 0.3 . 1 . . . . . 150 ASP C . 27352 1 673 . 1 1 150 150 ASP CA C 13 58.063 0.3 . 1 . . . . . 150 ASP CA . 27352 1 674 . 1 1 150 150 ASP CB C 13 42.707 0.3 . 1 . . . . . 150 ASP CB . 27352 1 675 . 1 1 150 150 ASP N N 15 117.618 0.3 . 1 . . . . . 150 ASP N . 27352 1 676 . 1 1 151 151 SER H H 1 7.8094 0.03 . 1 . . . . . 151 SER H . 27352 1 677 . 1 1 151 151 SER C C 13 175.582 0.3 . 1 . . . . . 151 SER C . 27352 1 678 . 1 1 151 151 SER CA C 13 61.463 0.3 . 1 . . . . . 151 SER CA . 27352 1 679 . 1 1 151 151 SER CB C 13 66.186 0.3 . 1 . . . . . 151 SER CB . 27352 1 680 . 1 1 151 151 SER N N 15 116.693 0.3 . 1 . . . . . 151 SER N . 27352 1 681 . 1 1 152 152 GLY H H 1 9.3524 0.03 . 1 . . . . . 152 GLY H . 27352 1 682 . 1 1 152 152 GLY C C 13 170.949 0.3 . 1 . . . . . 152 GLY C . 27352 1 683 . 1 1 152 152 GLY CA C 13 46.834 0.3 . 1 . . . . . 152 GLY CA . 27352 1 684 . 1 1 152 152 GLY N N 15 111.215 0.3 . 1 . . . . . 152 GLY N . 27352 1 685 . 1 1 153 153 SER H H 1 8.2184 0.03 . 1 . . . . . 153 SER H . 27352 1 686 . 1 1 153 153 SER C C 13 175.288 0.3 . 1 . . . . . 153 SER C . 27352 1 687 . 1 1 153 153 SER CA C 13 58.59 0.3 . 1 . . . . . 153 SER CA . 27352 1 688 . 1 1 153 153 SER CB C 13 65.447 0.3 . 1 . . . . . 153 SER CB . 27352 1 689 . 1 1 153 153 SER N N 15 115.629 0.3 . 1 . . . . . 153 SER N . 27352 1 690 . 1 1 154 154 TYR H H 1 9.9184 0.03 . 1 . . . . . 154 TYR H . 27352 1 691 . 1 1 154 154 TYR C C 13 177.575 0.3 . 1 . . . . . 154 TYR C . 27352 1 692 . 1 1 154 154 TYR CA C 13 58.355 0.3 . 1 . . . . . 154 TYR CA . 27352 1 693 . 1 1 154 154 TYR CB C 13 44.184 0.3 . 1 . . . . . 154 TYR CB . 27352 1 694 . 1 1 154 154 TYR N N 15 129.023 0.3 . 1 . . . . . 154 TYR N . 27352 1 695 . 1 1 155 155 PHE H H 1 8.5154 0.03 . 1 . . . . . 155 PHE H . 27352 1 696 . 1 1 155 155 PHE C C 13 171.418 0.3 . 1 . . . . . 155 PHE C . 27352 1 697 . 1 1 155 155 PHE CA C 13 58.561 0.3 . 1 . . . . . 155 PHE CA . 27352 1 698 . 1 1 155 155 PHE CB C 13 41.64 0.3 . 1 . . . . . 155 PHE CB . 27352 1 699 . 1 1 155 155 PHE N N 15 113.802 0.3 . 1 . . . . . 155 PHE N . 27352 1 700 . 1 1 156 156 CYS H H 1 8.6924 0.03 . 1 . . . . . 156 CYS H . 27352 1 701 . 1 1 156 156 CYS CA C 13 55.688 0.3 . 1 . . . . . 156 CYS CA . 27352 1 702 . 1 1 156 156 CYS CB C 13 54.282 0.3 . 1 . . . . . 156 CYS CB . 27352 1 703 . 1 1 156 156 CYS N N 15 114.603 0.3 . 1 . . . . . 156 CYS N . 27352 1 704 . 1 1 157 157 ARG H H 1 8.4954 0.03 . 1 . . . . . 157 ARG H . 27352 1 705 . 1 1 157 157 ARG C C 13 174.526 0.3 . 1 . . . . . 157 ARG C . 27352 1 706 . 1 1 157 157 ARG CA C 13 56.069 0.3 . 1 . . . . . 157 ARG CA . 27352 1 707 . 1 1 157 157 ARG CB C 13 34.826 0.3 . 1 . . . . . 157 ARG CB . 27352 1 708 . 1 1 157 157 ARG N N 15 118.36 0.3 . 1 . . . . . 157 ARG N . 27352 1 709 . 1 1 158 158 GLY H H 1 8.4384 0.03 . 1 . . . . . 158 GLY H . 27352 1 710 . 1 1 158 158 GLY C C 13 168.721 0.3 . 1 . . . . . 158 GLY C . 27352 1 711 . 1 1 158 158 GLY CA C 13 47.889 0.3 . 1 . . . . . 158 GLY CA . 27352 1 712 . 1 1 158 158 GLY N N 15 106.217 0.3 . 1 . . . . . 158 GLY N . 27352 1 713 . 1 1 159 159 LEU H H 1 8.7154 0.03 . 1 . . . . . 159 LEU H . 27352 1 714 . 1 1 159 159 LEU C C 13 178.866 0.3 . 1 . . . . . 159 LEU C . 27352 1 715 . 1 1 159 159 LEU CA C 13 55.688 0.3 . 1 . . . . . 159 LEU CA . 27352 1 716 . 1 1 159 159 LEU CB C 13 45.005 0.3 . 1 . . . . . 159 LEU CB . 27352 1 717 . 1 1 159 159 LEU N N 15 121.773 0.3 . 1 . . . . . 159 LEU N . 27352 1 718 . 1 1 160 160 VAL H H 1 8.7034 0.03 . 1 . . . . . 160 VAL H . 27352 1 719 . 1 1 160 160 VAL C C 13 179.862 0.3 . 1 . . . . . 160 VAL C . 27352 1 720 . 1 1 160 160 VAL CA C 13 62.285 0.3 . 1 . . . . . 160 VAL CA . 27352 1 721 . 1 1 160 160 VAL CB C 13 33.019 0.3 . 1 . . . . . 160 VAL CB . 27352 1 722 . 1 1 160 160 VAL N N 15 125.547 0.3 . 1 . . . . . 160 VAL N . 27352 1 723 . 1 1 161 161 GLY H H 1 9.0484 0.03 . 1 . . . . . 161 GLY H . 27352 1 724 . 1 1 161 161 GLY C C 13 175.523 0.3 . 1 . . . . . 161 GLY C . 27352 1 725 . 1 1 161 161 GLY CA C 13 48.886 0.3 . 1 . . . . . 161 GLY CA . 27352 1 726 . 1 1 161 161 GLY N N 15 118.93 0.3 . 1 . . . . . 161 GLY N . 27352 1 727 . 1 1 162 162 SER H H 1 8.7974 0.03 . 1 . . . . . 162 SER H . 27352 1 728 . 1 1 162 162 SER C C 13 174.057 0.3 . 1 . . . . . 162 SER C . 27352 1 729 . 1 1 162 162 SER CA C 13 59.851 0.3 . 1 . . . . . 162 SER CA . 27352 1 730 . 1 1 162 162 SER CB C 13 65.283 0.3 . 1 . . . . . 162 SER CB . 27352 1 731 . 1 1 162 162 SER N N 15 121.878 0.3 . 1 . . . . . 162 SER N . 27352 1 732 . 1 1 163 163 LYS H H 1 8.0734 0.03 . 1 . . . . . 163 LYS H . 27352 1 733 . 1 1 163 163 LYS C C 13 176.051 0.3 . 1 . . . . . 163 LYS C . 27352 1 734 . 1 1 163 163 LYS CA C 13 56.861 0.3 . 1 . . . . . 163 LYS CA . 27352 1 735 . 1 1 163 163 LYS CB C 13 35.154 0.3 . 1 . . . . . 163 LYS CB . 27352 1 736 . 1 1 163 163 LYS N N 15 124.207 0.3 . 1 . . . . . 163 LYS N . 27352 1 737 . 1 1 164 164 ASN H H 1 8.5644 0.03 . 1 . . . . . 164 ASN H . 27352 1 738 . 1 1 164 164 ASN C C 13 176.637 0.3 . 1 . . . . . 164 ASN C . 27352 1 739 . 1 1 164 164 ASN CA C 13 55.511 0.3 . 1 . . . . . 164 ASN CA . 27352 1 740 . 1 1 164 164 ASN CB C 13 40.162 0.3 . 1 . . . . . 164 ASN CB . 27352 1 741 . 1 1 164 164 ASN N N 15 124.582 0.3 . 1 . . . . . 164 ASN N . 27352 1 742 . 1 1 165 165 VAL H H 1 8.8334 0.03 . 1 . . . . . 165 VAL H . 27352 1 743 . 1 1 165 165 VAL C C 13 174.526 0.3 . 1 . . . . . 165 VAL C . 27352 1 744 . 1 1 165 165 VAL CA C 13 61.787 0.3 . 1 . . . . . 165 VAL CA . 27352 1 745 . 1 1 165 165 VAL CB C 13 36.632 0.3 . 1 . . . . . 165 VAL CB . 27352 1 746 . 1 1 165 165 VAL N N 15 121.547 0.3 . 1 . . . . . 165 VAL N . 27352 1 747 . 1 1 166 166 SER H H 1 8.3894 0.03 . 1 . . . . . 166 SER H . 27352 1 748 . 1 1 166 166 SER C C 13 174.819 0.3 . 1 . . . . . 166 SER C . 27352 1 749 . 1 1 166 166 SER CA C 13 58.796 0.3 . 1 . . . . . 166 SER CA . 27352 1 750 . 1 1 166 166 SER CB C 13 67.664 0.3 . 1 . . . . . 166 SER CB . 27352 1 751 . 1 1 166 166 SER N N 15 115.306 0.3 . 1 . . . . . 166 SER N . 27352 1 752 . 1 1 167 167 SER H H 1 9.6344 0.03 . 1 . . . . . 167 SER H . 27352 1 753 . 1 1 167 167 SER C C 13 174.643 0.3 . 1 . . . . . 167 SER C . 27352 1 754 . 1 1 167 167 SER CA C 13 60.027 0.3 . 1 . . . . . 167 SER CA . 27352 1 755 . 1 1 167 167 SER CB C 13 68.156 0.3 . 1 . . . . . 167 SER CB . 27352 1 756 . 1 1 167 167 SER N N 15 121.225 0.3 . 1 . . . . . 167 SER N . 27352 1 757 . 1 1 168 168 GLU H H 1 8.5934 0.03 . 1 . . . . . 168 GLU H . 27352 1 758 . 1 1 168 168 GLU C C 13 182.794 0.3 . 1 . . . . . 168 GLU C . 27352 1 759 . 1 1 168 168 GLU CA C 13 58.209 0.3 . 1 . . . . . 168 GLU CA . 27352 1 760 . 1 1 168 168 GLU CB C 13 31.788 0.3 . 1 . . . . . 168 GLU CB . 27352 1 761 . 1 1 168 168 GLU N N 15 119.113 0.3 . 1 . . . . . 168 GLU N . 27352 1 762 . 1 1 169 169 THR H H 1 8.6954 0.03 . 1 . . . . . 169 THR H . 27352 1 763 . 1 1 169 169 THR C C 13 176.461 0.3 . 1 . . . . . 169 THR C . 27352 1 764 . 1 1 169 169 THR CA C 13 63.78 0.3 . 1 . . . . . 169 THR CA . 27352 1 765 . 1 1 169 169 THR CB C 13 71.851 0.3 . 1 . . . . . 169 THR CB . 27352 1 766 . 1 1 169 169 THR N N 15 118.324 0.3 . 1 . . . . . 169 THR N . 27352 1 767 . 1 1 170 170 VAL H H 1 9.5264 0.03 . 1 . . . . . 170 VAL H . 27352 1 768 . 1 1 170 170 VAL C C 13 175.875 0.3 . 1 . . . . . 170 VAL C . 27352 1 769 . 1 1 170 170 VAL CA C 13 62.461 0.3 . 1 . . . . . 170 VAL CA . 27352 1 770 . 1 1 170 170 VAL CB C 13 36.221 0.3 . 1 . . . . . 170 VAL CB . 27352 1 771 . 1 1 170 170 VAL N N 15 123.5 0.3 . 1 . . . . . 170 VAL N . 27352 1 772 . 1 1 171 171 ASN H H 1 8.3974 0.03 . 1 . . . . . 171 ASN H . 27352 1 773 . 1 1 171 171 ASN C C 13 178.016 0.3 . 1 . . . . . 171 ASN C . 27352 1 774 . 1 1 171 171 ASN CA C 13 54.925 0.3 . 1 . . . . . 171 ASN CA . 27352 1 775 . 1 1 171 171 ASN CB C 13 41.065 0.3 . 1 . . . . . 171 ASN CB . 27352 1 776 . 1 1 171 171 ASN N N 15 124.822 0.3 . 1 . . . . . 171 ASN N . 27352 1 777 . 1 1 172 172 ILE H H 1 9.3934 0.03 . 1 . . . . . 172 ILE H . 27352 1 778 . 1 1 172 172 ILE C C 13 182.707 0.3 . 1 . . . . . 172 ILE C . 27352 1 779 . 1 1 172 172 ILE CA C 13 61.874 0.3 . 1 . . . . . 172 ILE CA . 27352 1 780 . 1 1 172 172 ILE CB C 13 40.408 0.3 . 1 . . . . . 172 ILE CB . 27352 1 781 . 1 1 172 172 ILE N N 15 126.069 0.3 . 1 . . . . . 172 ILE N . 27352 1 782 . 1 1 173 173 THR H H 1 9.0254 0.03 . 1 . . . . . 173 THR H . 27352 1 783 . 1 1 173 173 THR C C 13 171.184 0.3 . 1 . . . . . 173 THR C . 27352 1 784 . 1 1 173 173 THR CA C 13 63.927 0.3 . 1 . . . . . 173 THR CA . 27352 1 785 . 1 1 173 173 THR CB C 13 73.164 0.3 . 1 . . . . . 173 THR CB . 27352 1 786 . 1 1 173 173 THR N N 15 125.592 0.3 . 1 . . . . . 173 THR N . 27352 1 787 . 1 1 174 174 ILE H H 1 8.2184 0.03 . 1 . . . . . 174 ILE H . 27352 1 788 . 1 1 174 174 ILE C C 13 177.927 0.3 . 1 . . . . . 174 ILE C . 27352 1 789 . 1 1 174 174 ILE CA C 13 59.206 0.3 . 1 . . . . . 174 ILE CA . 27352 1 790 . 1 1 174 174 ILE CB C 13 38.188 0.3 . 1 . . . . . 174 ILE CB . 27352 1 791 . 1 1 174 174 ILE N N 15 127.311 0.3 . 1 . . . . . 174 ILE N . 27352 1 792 . 1 1 175 175 THR H H 1 9.1144 0.03 . 1 . . . . . 175 THR H . 27352 1 793 . 1 1 175 175 THR C C 13 174.409 0.3 . 1 . . . . . 175 THR C . 27352 1 794 . 1 1 175 175 THR CA C 13 61.992 0.3 . 1 . . . . . 175 THR CA . 27352 1 795 . 1 1 175 175 THR CB C 13 72.097 0.3 . 1 . . . . . 175 THR CB . 27352 1 796 . 1 1 175 175 THR N N 15 120.194 0.3 . 1 . . . . . 175 THR N . 27352 1 797 . 1 1 176 176 GLN H H 1 8.5524 0.03 . 1 . . . . . 176 GLN H . 27352 1 798 . 1 1 176 176 GLN C C 13 179.217 0.3 . 1 . . . . . 176 GLN C . 27352 1 799 . 1 1 176 176 GLN CA C 13 57.682 0.3 . 1 . . . . . 176 GLN CA . 27352 1 800 . 1 1 176 176 GLN CB C 13 31.049 0.3 . 1 . . . . . 176 GLN CB . 27352 1 801 . 1 1 176 176 GLN N N 15 121.586 0.3 . 1 . . . . . 176 GLN N . 27352 1 802 . 1 1 177 177 ALA H H 1 9.1644 0.03 . 1 . . . . . 177 ALA H . 27352 1 803 . 1 1 177 177 ALA C C 13 181.27 0.3 . 1 . . . . . 177 ALA C . 27352 1 804 . 1 1 177 177 ALA CA C 13 54.486 0.3 . 1 . . . . . 177 ALA CA . 27352 1 805 . 1 1 177 177 ALA CB C 13 20.623 0.3 . 1 . . . . . 177 ALA CB . 27352 1 806 . 1 1 177 177 ALA N N 15 127.576 0.3 . 1 . . . . . 177 ALA N . 27352 1 807 . 1 1 178 178 ALA H H 1 8.3804 0.03 . 1 . . . . . 178 ALA H . 27352 1 808 . 1 1 178 178 ALA C C 13 180.977 0.3 . 1 . . . . . 178 ALA C . 27352 1 809 . 1 1 178 178 ALA CA C 13 54.133 0.3 . 1 . . . . . 178 ALA CA . 27352 1 810 . 1 1 178 178 ALA CB C 13 20.295 0.3 . 1 . . . . . 178 ALA CB . 27352 1 811 . 1 1 178 178 ALA N N 15 123.475 0.3 . 1 . . . . . 178 ALA N . 27352 1 812 . 1 1 179 179 ALA H H 1 8.1694 0.03 . 1 . . . . . 179 ALA H . 27352 1 813 . 1 1 179 179 ALA C C 13 181.27 0.3 . 1 . . . . . 179 ALA C . 27352 1 814 . 1 1 179 179 ALA CA C 13 54.163 0.3 . 1 . . . . . 179 ALA CA . 27352 1 815 . 1 1 179 179 ALA CB C 13 20.295 0.3 . 1 . . . . . 179 ALA CB . 27352 1 816 . 1 1 179 179 ALA N N 15 123.386 0.3 . 1 . . . . . 179 ALA N . 27352 1 817 . 1 1 180 180 LEU H H 1 8.0904 0.03 . 1 . . . . . 180 LEU H . 27352 1 818 . 1 1 180 180 LEU C C 13 179.686 0.3 . 1 . . . . . 180 LEU C . 27352 1 819 . 1 1 180 180 LEU CA C 13 56.743 0.3 . 1 . . . . . 180 LEU CA . 27352 1 820 . 1 1 180 180 LEU CB C 13 42.625 0.3 . 1 . . . . . 180 LEU CB . 27352 1 821 . 1 1 180 180 LEU N N 15 121.363 0.3 . 1 . . . . . 180 LEU N . 27352 1 822 . 1 1 181 181 GLU H H 1 8.2114 0.03 . 1 . . . . . 181 GLU H . 27352 1 823 . 1 1 181 181 GLU C C 13 178.807 0.3 . 1 . . . . . 181 GLU C . 27352 1 824 . 1 1 181 181 GLU CA C 13 58.15 0.3 . 1 . . . . . 181 GLU CA . 27352 1 825 . 1 1 181 181 GLU CB C 13 31.295 0.3 . 1 . . . . . 181 GLU CB . 27352 1 826 . 1 1 181 181 GLU N N 15 121.398 0.3 . 1 . . . . . 181 GLU N . 27352 1 827 . 1 1 182 182 HIS H H 1 8.3284 0.03 . 1 . . . . . 182 HIS H . 27352 1 828 . 1 1 182 182 HIS C C 13 175.201 0.3 . 1 . . . . . 182 HIS C . 27352 1 829 . 1 1 182 182 HIS CA C 13 57.329 0.3 . 1 . . . . . 182 HIS CA . 27352 1 830 . 1 1 182 182 HIS CB C 13 31.295 0.3 . 1 . . . . . 182 HIS CB . 27352 1 831 . 1 1 182 182 HIS N N 15 120.024 0.3 . 1 . . . . . 182 HIS N . 27352 1 832 . 1 1 183 183 HIS H H 1 8.1994 0.03 . 1 . . . . . 183 HIS H . 27352 1 833 . 1 1 183 183 HIS CA C 13 59.06 0.3 . 1 . . . . . 183 HIS CA . 27352 1 834 . 1 1 183 183 HIS CB C 13 31.295 0.3 . 1 . . . . . 183 HIS CB . 27352 1 835 . 1 1 183 183 HIS N N 15 125.799 0.3 . 1 . . . . . 183 HIS N . 27352 1 stop_ save_