data_26061 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26061 _Entry.Title ; NMR solution structure of MAL/TIRAP TIR domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-05-27 _Entry.Accession_date 2016-05-27 _Entry.Last_release_date 2016-06-01 _Entry.Original_release_date 2016-06-01 _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 'NMR, 20 STRUCTURES' _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 'NMR solution structure of the MAL/TIRAP TIR domain' 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 Peter Lavrencic . . . . 26061 2 Mehdi Mobli . . . . 26061 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 26061 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID MAL . 26061 TIRAP . 26061 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26061 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 419 26061 '15N chemical shifts' 104 26061 '1H chemical shifts' 662 26061 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 . . 2017-11-06 2016-05-27 update BMRB 'update entry citation' 26061 1 . . 2017-05-30 2016-05-27 original author 'original release' 26061 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2NDH 'BMRB Entry Tracking System' 26061 PDB 2YP2 'crystal structure' 26061 PDB 3UB2 'crystal structure' 26061 PDB 4FZ5 'crystal structure' 26061 PDB 4LQD 'crystal structure' 26061 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26061 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1073/pnas.1701868114 _Citation.PubMed_ID 28739909 _Citation.Full_citation . _Citation.Title ; Solution structure of the TLR adaptor MAL/TIRAP reveals an intact BB loop and supports MAL Cys91 glutathionylation for signaling ; _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 114 _Citation.Journal_issue 32 _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 E6480 _Citation.Page_last E6489 _Citation.Year 2017 _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 Mark Hughes M. M. . . 26061 1 2 Peter Lavrencic P. . . . 26061 1 3 Rebecca Coll R. C. . . 26061 1 4 Thomas Ve T. . . . 26061 1 5 Dylan Ryan D. G. . . 26061 1 6 Niamh Williams N. C. . . 26061 1 7 Deepthi Menon D. . . . 26061 1 8 Ashley Mansell A. . . . 26061 1 9 Philip Board P. G. . . 26061 1 10 Mehdi Mobli M. . . . 26061 1 11 Bostjan Kobe B. . . . 26061 1 12 Luke O'Neill . . . . 26061 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26061 _Assembly.ID 1 _Assembly.Name 'MAL/TIRAP TIR domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 26061 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 26061 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SSRWSKDYDVCVCHSEEDLV AAQDLVSYLEGSTASLRAFL QLRDATPGGAIVSELCQALS SSHCRVLLITPGFLQDPWCK YQMLQALTEAPGAEGCTIPL LSGLSRAAYPPELRFMYYVD GRGPDGGFRQVKEAVMRYLQ TLS ; _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 143 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15726.982 _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 79 SER . 26061 1 2 80 SER . 26061 1 3 81 ARG . 26061 1 4 82 TRP . 26061 1 5 83 SER . 26061 1 6 84 LYS . 26061 1 7 85 ASP . 26061 1 8 86 TYR . 26061 1 9 87 ASP . 26061 1 10 88 VAL . 26061 1 11 89 CYS . 26061 1 12 90 VAL . 26061 1 13 91 CYS . 26061 1 14 92 HIS . 26061 1 15 93 SER . 26061 1 16 94 GLU . 26061 1 17 95 GLU . 26061 1 18 96 ASP . 26061 1 19 97 LEU . 26061 1 20 98 VAL . 26061 1 21 99 ALA . 26061 1 22 100 ALA . 26061 1 23 101 GLN . 26061 1 24 102 ASP . 26061 1 25 103 LEU . 26061 1 26 104 VAL . 26061 1 27 105 SER . 26061 1 28 106 TYR . 26061 1 29 107 LEU . 26061 1 30 108 GLU . 26061 1 31 109 GLY . 26061 1 32 110 SER . 26061 1 33 111 THR . 26061 1 34 112 ALA . 26061 1 35 113 SER . 26061 1 36 114 LEU . 26061 1 37 115 ARG . 26061 1 38 116 ALA . 26061 1 39 117 PHE . 26061 1 40 118 LEU . 26061 1 41 119 GLN . 26061 1 42 120 LEU . 26061 1 43 121 ARG . 26061 1 44 122 ASP . 26061 1 45 123 ALA . 26061 1 46 124 THR . 26061 1 47 125 PRO . 26061 1 48 126 GLY . 26061 1 49 127 GLY . 26061 1 50 128 ALA . 26061 1 51 129 ILE . 26061 1 52 130 VAL . 26061 1 53 131 SER . 26061 1 54 132 GLU . 26061 1 55 133 LEU . 26061 1 56 134 CYS . 26061 1 57 135 GLN . 26061 1 58 136 ALA . 26061 1 59 137 LEU . 26061 1 60 138 SER . 26061 1 61 139 SER . 26061 1 62 140 SER . 26061 1 63 141 HIS . 26061 1 64 142 CYS . 26061 1 65 143 ARG . 26061 1 66 144 VAL . 26061 1 67 145 LEU . 26061 1 68 146 LEU . 26061 1 69 147 ILE . 26061 1 70 148 THR . 26061 1 71 149 PRO . 26061 1 72 150 GLY . 26061 1 73 151 PHE . 26061 1 74 152 LEU . 26061 1 75 153 GLN . 26061 1 76 154 ASP . 26061 1 77 155 PRO . 26061 1 78 156 TRP . 26061 1 79 157 CYS . 26061 1 80 158 LYS . 26061 1 81 159 TYR . 26061 1 82 160 GLN . 26061 1 83 161 MET . 26061 1 84 162 LEU . 26061 1 85 163 GLN . 26061 1 86 164 ALA . 26061 1 87 165 LEU . 26061 1 88 166 THR . 26061 1 89 167 GLU . 26061 1 90 168 ALA . 26061 1 91 169 PRO . 26061 1 92 170 GLY . 26061 1 93 171 ALA . 26061 1 94 172 GLU . 26061 1 95 173 GLY . 26061 1 96 174 CYS . 26061 1 97 175 THR . 26061 1 98 176 ILE . 26061 1 99 177 PRO . 26061 1 100 178 LEU . 26061 1 101 179 LEU . 26061 1 102 180 SER . 26061 1 103 181 GLY . 26061 1 104 182 LEU . 26061 1 105 183 SER . 26061 1 106 184 ARG . 26061 1 107 185 ALA . 26061 1 108 186 ALA . 26061 1 109 187 TYR . 26061 1 110 188 PRO . 26061 1 111 189 PRO . 26061 1 112 190 GLU . 26061 1 113 191 LEU . 26061 1 114 192 ARG . 26061 1 115 193 PHE . 26061 1 116 194 MET . 26061 1 117 195 TYR . 26061 1 118 196 TYR . 26061 1 119 197 VAL . 26061 1 120 198 ASP . 26061 1 121 199 GLY . 26061 1 122 200 ARG . 26061 1 123 201 GLY . 26061 1 124 202 PRO . 26061 1 125 203 ASP . 26061 1 126 204 GLY . 26061 1 127 205 GLY . 26061 1 128 206 PHE . 26061 1 129 207 ARG . 26061 1 130 208 GLN . 26061 1 131 209 VAL . 26061 1 132 210 LYS . 26061 1 133 211 GLU . 26061 1 134 212 ALA . 26061 1 135 213 VAL . 26061 1 136 214 MET . 26061 1 137 215 ARG . 26061 1 138 216 TYR . 26061 1 139 217 LEU . 26061 1 140 218 GLN . 26061 1 141 219 THR . 26061 1 142 220 LEU . 26061 1 143 221 SER . 26061 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 . SER 1 1 26061 1 . SER 2 2 26061 1 . ARG 3 3 26061 1 . TRP 4 4 26061 1 . SER 5 5 26061 1 . LYS 6 6 26061 1 . ASP 7 7 26061 1 . TYR 8 8 26061 1 . ASP 9 9 26061 1 . VAL 10 10 26061 1 . CYS 11 11 26061 1 . VAL 12 12 26061 1 . CYS 13 13 26061 1 . HIS 14 14 26061 1 . SER 15 15 26061 1 . GLU 16 16 26061 1 . GLU 17 17 26061 1 . ASP 18 18 26061 1 . LEU 19 19 26061 1 . VAL 20 20 26061 1 . ALA 21 21 26061 1 . ALA 22 22 26061 1 . GLN 23 23 26061 1 . ASP 24 24 26061 1 . LEU 25 25 26061 1 . VAL 26 26 26061 1 . SER 27 27 26061 1 . TYR 28 28 26061 1 . LEU 29 29 26061 1 . GLU 30 30 26061 1 . GLY 31 31 26061 1 . SER 32 32 26061 1 . THR 33 33 26061 1 . ALA 34 34 26061 1 . SER 35 35 26061 1 . LEU 36 36 26061 1 . ARG 37 37 26061 1 . ALA 38 38 26061 1 . PHE 39 39 26061 1 . LEU 40 40 26061 1 . GLN 41 41 26061 1 . LEU 42 42 26061 1 . ARG 43 43 26061 1 . ASP 44 44 26061 1 . ALA 45 45 26061 1 . THR 46 46 26061 1 . PRO 47 47 26061 1 . GLY 48 48 26061 1 . GLY 49 49 26061 1 . ALA 50 50 26061 1 . ILE 51 51 26061 1 . VAL 52 52 26061 1 . SER 53 53 26061 1 . GLU 54 54 26061 1 . LEU 55 55 26061 1 . CYS 56 56 26061 1 . GLN 57 57 26061 1 . ALA 58 58 26061 1 . LEU 59 59 26061 1 . SER 60 60 26061 1 . SER 61 61 26061 1 . SER 62 62 26061 1 . HIS 63 63 26061 1 . CYS 64 64 26061 1 . ARG 65 65 26061 1 . VAL 66 66 26061 1 . LEU 67 67 26061 1 . LEU 68 68 26061 1 . ILE 69 69 26061 1 . THR 70 70 26061 1 . PRO 71 71 26061 1 . GLY 72 72 26061 1 . PHE 73 73 26061 1 . LEU 74 74 26061 1 . GLN 75 75 26061 1 . ASP 76 76 26061 1 . PRO 77 77 26061 1 . TRP 78 78 26061 1 . CYS 79 79 26061 1 . LYS 80 80 26061 1 . TYR 81 81 26061 1 . GLN 82 82 26061 1 . MET 83 83 26061 1 . LEU 84 84 26061 1 . GLN 85 85 26061 1 . ALA 86 86 26061 1 . LEU 87 87 26061 1 . THR 88 88 26061 1 . GLU 89 89 26061 1 . ALA 90 90 26061 1 . PRO 91 91 26061 1 . GLY 92 92 26061 1 . ALA 93 93 26061 1 . GLU 94 94 26061 1 . GLY 95 95 26061 1 . CYS 96 96 26061 1 . THR 97 97 26061 1 . ILE 98 98 26061 1 . PRO 99 99 26061 1 . LEU 100 100 26061 1 . LEU 101 101 26061 1 . SER 102 102 26061 1 . GLY 103 103 26061 1 . LEU 104 104 26061 1 . SER 105 105 26061 1 . ARG 106 106 26061 1 . ALA 107 107 26061 1 . ALA 108 108 26061 1 . TYR 109 109 26061 1 . PRO 110 110 26061 1 . PRO 111 111 26061 1 . GLU 112 112 26061 1 . LEU 113 113 26061 1 . ARG 114 114 26061 1 . PHE 115 115 26061 1 . MET 116 116 26061 1 . TYR 117 117 26061 1 . TYR 118 118 26061 1 . VAL 119 119 26061 1 . ASP 120 120 26061 1 . GLY 121 121 26061 1 . ARG 122 122 26061 1 . GLY 123 123 26061 1 . PRO 124 124 26061 1 . ASP 125 125 26061 1 . GLY 126 126 26061 1 . GLY 127 127 26061 1 . PHE 128 128 26061 1 . ARG 129 129 26061 1 . GLN 130 130 26061 1 . VAL 131 131 26061 1 . LYS 132 132 26061 1 . GLU 133 133 26061 1 . ALA 134 134 26061 1 . VAL 135 135 26061 1 . MET 136 136 26061 1 . ARG 137 137 26061 1 . TYR 138 138 26061 1 . LEU 139 139 26061 1 . GLN 140 140 26061 1 . THR 141 141 26061 1 . LEU 142 142 26061 1 . SER 143 143 26061 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 26061 _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 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26061 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 26061 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL-21 . . . . . pMCSG7 . . . 26061 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26061 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 300 . . uM . . . . 26061 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 26061 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 26061 1 4 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 26061 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 26061 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 26061 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 . M 26061 1 pH 8.6 . pH 26061 1 pressure 1 . atm 26061 1 temperature 291 . K 26061 1 stop_ save_ ############################ # Computer software used # ############################ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 26061 _Software.ID 2 _Software.Type . _Software.Name TALOS _Software.Version TALOS+ _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 26061 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 26061 2 stop_ save_ save_CCPNMR _Software.Sf_category software _Software.Sf_framecode CCPNMR _Software.Entry_ID 26061 _Software.ID 3 _Software.Type . _Software.Name CCPNMR _Software.Version 2.4 _Software.DOI . _Software.Details ; Vranken, W. F. et al.(2005) The CCPN data model for NMR spectroscopy: development of a software pipeline. Proteins 59, 687-696 ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 26061 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26061 3 'data analysis' 26061 3 'peak picking' 26061 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26061 _Software.ID 4 _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' . . 26061 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26061 4 stop_ save_ save_Rowland_NMR_toolkit _Software.Sf_category software _Software.Sf_framecode Rowland_NMR_toolkit _Software.Entry_ID 26061 _Software.ID 5 _Software.Type . _Software.Name Rowland_NMR_toolkit _Software.Version 3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'JC Hoch et al.' 'UConn Health Center, CT' hoch@uchc.edu 26061 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 26061 5 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 26061 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 2.1 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 26061 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 26061 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 26061 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'equipped with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 26061 _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 . 900 'equipped with cryoprobe' . . 26061 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 26061 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26061 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26061 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26061 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26061 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26061 1 6 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26061 1 7 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26061 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26061 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26061 1 10 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26061 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 26061 _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 water protons . . . . ppm 4.773 internal indirect 0.251449530 . . . . . 26061 1 H 1 water protons . . . . ppm 4.773 internal direct 1.0 . . . . . 26061 1 N 15 water protons . . . . ppm 4.773 internal indirect 0.101329118 . . . . . 26061 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 26061 _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 6 '2D 1H-13C HSQC aliphatic' . . . 26061 1 7 '2D 1H-13C HSQC aromatic' . . . 26061 1 8 '3D 1H-15N NOESY' . . . 26061 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CYANA . . 26061 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 4 4 TRP HA H 1 4.803 0.002 . . . . . . A 82 TRP HA . 26061 1 2 . 1 1 4 4 TRP HB2 H 1 3.698 0.001 . . . . . . A 82 TRP HB2 . 26061 1 3 . 1 1 4 4 TRP HB3 H 1 3.021 0.001 . . . . . . A 82 TRP HB3 . 26061 1 4 . 1 1 4 4 TRP C C 13 175.458 0.000 . . . . . . A 82 TRP C . 26061 1 5 . 1 1 4 4 TRP CA C 13 55.726 0.000 . . . . . . A 82 TRP CA . 26061 1 6 . 1 1 4 4 TRP CB C 13 28.292 0.000 . . . . . . A 82 TRP CB . 26061 1 7 . 1 1 5 5 SER H H 1 7.703 0.001 . . . . . . A 83 SER H . 26061 1 8 . 1 1 5 5 SER HA H 1 4.341 0.001 . . . . . . A 83 SER HA . 26061 1 9 . 1 1 5 5 SER HB2 H 1 4.043 0.000 . . . . . . A 83 SER HB2 . 26061 1 10 . 1 1 5 5 SER HB3 H 1 3.857 0.000 . . . . . . A 83 SER HB3 . 26061 1 11 . 1 1 5 5 SER C C 13 173.515 0.000 . . . . . . A 83 SER C . 26061 1 12 . 1 1 5 5 SER CA C 13 60.090 0.000 . . . . . . A 83 SER CA . 26061 1 13 . 1 1 5 5 SER CB C 13 63.720 0.000 . . . . . . A 83 SER CB . 26061 1 14 . 1 1 5 5 SER N N 15 115.142 0.011 . . . . . . A 83 SER N . 26061 1 15 . 1 1 6 6 LYS H H 1 7.051 0.001 . . . . . . A 84 LYS H . 26061 1 16 . 1 1 6 6 LYS C C 13 175.682 0.000 . . . . . . A 84 LYS C . 26061 1 17 . 1 1 6 6 LYS CA C 13 54.556 0.000 . . . . . . A 84 LYS CA . 26061 1 18 . 1 1 6 6 LYS CB C 13 35.909 0.000 . . . . . . A 84 LYS CB . 26061 1 19 . 1 1 6 6 LYS N N 15 117.459 0.010 . . . . . . A 84 LYS N . 26061 1 20 . 1 1 7 7 ASP H H 1 8.430 0.000 . . . . . . A 85 ASP H . 26061 1 21 . 1 1 7 7 ASP N N 15 120.354 0.000 . . . . . . A 85 ASP N . 26061 1 22 . 1 1 8 8 TYR H H 1 7.789 0.000 . . . . . . A 86 TYR H . 26061 1 23 . 1 1 8 8 TYR HA H 1 4.625 0.000 . . . . . . A 86 TYR HA . 26061 1 24 . 1 1 8 8 TYR CA C 13 56.601 0.000 . . . . . . A 86 TYR CA . 26061 1 25 . 1 1 8 8 TYR CB C 13 41.643 0.000 . . . . . . A 86 TYR CB . 26061 1 26 . 1 1 8 8 TYR N N 15 111.899 0.000 . . . . . . A 86 TYR N . 26061 1 27 . 1 1 9 9 ASP H H 1 9.478 0.000 . . . . . . A 87 ASP H . 26061 1 28 . 1 1 9 9 ASP HA H 1 5.108 0.002 . . . . . . A 87 ASP HA . 26061 1 29 . 1 1 9 9 ASP HB2 H 1 2.701 0.000 . . . . . . A 87 ASP HB2 . 26061 1 30 . 1 1 9 9 ASP HB3 H 1 2.794 0.000 . . . . . . A 87 ASP HB3 . 26061 1 31 . 1 1 9 9 ASP C C 13 176.004 0.000 . . . . . . A 87 ASP C . 26061 1 32 . 1 1 9 9 ASP CA C 13 57.287 0.000 . . . . . . A 87 ASP CA . 26061 1 33 . 1 1 9 9 ASP CB C 13 44.463 0.000 . . . . . . A 87 ASP CB . 26061 1 34 . 1 1 9 9 ASP N N 15 118.283 0.000 . . . . . . A 87 ASP N . 26061 1 35 . 1 1 10 10 VAL H H 1 8.396 0.000 . . . . . . A 88 VAL H . 26061 1 36 . 1 1 10 10 VAL HA H 1 4.794 0.000 . . . . . . A 88 VAL HA . 26061 1 37 . 1 1 10 10 VAL HB H 1 1.767 0.001 . . . . . . A 88 VAL HB . 26061 1 38 . 1 1 10 10 VAL HG11 H 1 0.659 0.001 . . . . . . A 88 VAL HG11 . 26061 1 39 . 1 1 10 10 VAL HG12 H 1 0.659 0.001 . . . . . . A 88 VAL HG12 . 26061 1 40 . 1 1 10 10 VAL HG13 H 1 0.659 0.001 . . . . . . A 88 VAL HG13 . 26061 1 41 . 1 1 10 10 VAL HG21 H 1 0.769 0.000 . . . . . . A 88 VAL HG21 . 26061 1 42 . 1 1 10 10 VAL HG22 H 1 0.769 0.000 . . . . . . A 88 VAL HG22 . 26061 1 43 . 1 1 10 10 VAL HG23 H 1 0.769 0.000 . . . . . . A 88 VAL HG23 . 26061 1 44 . 1 1 10 10 VAL C C 13 172.171 0.000 . . . . . . A 88 VAL C . 26061 1 45 . 1 1 10 10 VAL CA C 13 60.265 0.000 . . . . . . A 88 VAL CA . 26061 1 46 . 1 1 10 10 VAL CB C 13 36.044 0.000 . . . . . . A 88 VAL CB . 26061 1 47 . 1 1 10 10 VAL CG1 C 13 22.293 0.000 . . . . . . A 88 VAL CG1 . 26061 1 48 . 1 1 10 10 VAL CG2 C 13 23.082 0.000 . . . . . . A 88 VAL CG2 . 26061 1 49 . 1 1 10 10 VAL N N 15 116.247 0.000 . . . . . . A 88 VAL N . 26061 1 50 . 1 1 11 11 CYS H H 1 8.214 0.001 . . . . . . A 89 CYS H . 26061 1 51 . 1 1 11 11 CYS HA H 1 4.498 0.001 . . . . . . A 89 CYS HA . 26061 1 52 . 1 1 11 11 CYS HB2 H 1 2.438 0.000 . . . . . . A 89 CYS HB2 . 26061 1 53 . 1 1 11 11 CYS HB3 H 1 2.193 0.001 . . . . . . A 89 CYS HB3 . 26061 1 54 . 1 1 11 11 CYS C C 13 174.512 0.000 . . . . . . A 89 CYS C . 26061 1 55 . 1 1 11 11 CYS CA C 13 55.754 0.000 . . . . . . A 89 CYS CA . 26061 1 56 . 1 1 11 11 CYS CB C 13 28.721 0.000 . . . . . . A 89 CYS CB . 26061 1 57 . 1 1 11 11 CYS N N 15 125.782 0.000 . . . . . . A 89 CYS N . 26061 1 58 . 1 1 12 12 VAL H H 1 8.779 0.001 . . . . . . A 90 VAL H . 26061 1 59 . 1 1 12 12 VAL HA H 1 4.535 0.001 . . . . . . A 90 VAL HA . 26061 1 60 . 1 1 12 12 VAL HB H 1 2.006 0.000 . . . . . . A 90 VAL HB . 26061 1 61 . 1 1 12 12 VAL HG11 H 1 0.732 0.000 . . . . . . A 90 VAL HG11 . 26061 1 62 . 1 1 12 12 VAL HG12 H 1 0.732 0.000 . . . . . . A 90 VAL HG12 . 26061 1 63 . 1 1 12 12 VAL HG13 H 1 0.732 0.000 . . . . . . A 90 VAL HG13 . 26061 1 64 . 1 1 12 12 VAL HG21 H 1 0.559 0.000 . . . . . . A 90 VAL HG21 . 26061 1 65 . 1 1 12 12 VAL HG22 H 1 0.559 0.000 . . . . . . A 90 VAL HG22 . 26061 1 66 . 1 1 12 12 VAL HG23 H 1 0.559 0.000 . . . . . . A 90 VAL HG23 . 26061 1 67 . 1 1 12 12 VAL C C 13 173.477 0.000 . . . . . . A 90 VAL C . 26061 1 68 . 1 1 12 12 VAL CA C 13 61.937 0.000 . . . . . . A 90 VAL CA . 26061 1 69 . 1 1 12 12 VAL CB C 13 32.952 0.000 . . . . . . A 90 VAL CB . 26061 1 70 . 1 1 12 12 VAL CG2 C 13 21.031 0.001 . . . . . . A 90 VAL CG2 . 26061 1 71 . 1 1 12 12 VAL N N 15 129.031 0.000 . . . . . . A 90 VAL N . 26061 1 72 . 1 1 13 13 CYS H H 1 9.138 0.001 . . . . . . A 91 CYS H . 26061 1 73 . 1 1 13 13 CYS HA H 1 4.950 0.000 . . . . . . A 91 CYS HA . 26061 1 74 . 1 1 13 13 CYS HB2 H 1 3.201 0.002 . . . . . . A 91 CYS HB2 . 26061 1 75 . 1 1 13 13 CYS HB3 H 1 2.658 0.000 . . . . . . A 91 CYS HB3 . 26061 1 76 . 1 1 13 13 CYS C C 13 172.763 0.000 . . . . . . A 91 CYS C . 26061 1 77 . 1 1 13 13 CYS CA C 13 58.151 0.000 . . . . . . A 91 CYS CA . 26061 1 78 . 1 1 13 13 CYS CB C 13 28.404 0.000 . . . . . . A 91 CYS CB . 26061 1 79 . 1 1 13 13 CYS N N 15 130.380 0.000 . . . . . . A 91 CYS N . 26061 1 80 . 1 1 14 14 HIS H H 1 8.985 0.001 . . . . . . A 92 HIS H . 26061 1 81 . 1 1 14 14 HIS HA H 1 5.514 0.004 . . . . . . A 92 HIS HA . 26061 1 82 . 1 1 14 14 HIS HB2 H 1 2.769 0.000 . . . . . . A 92 HIS HB2 . 26061 1 83 . 1 1 14 14 HIS HB3 H 1 3.447 0.005 . . . . . . A 92 HIS HB3 . 26061 1 84 . 1 1 14 14 HIS HD2 H 1 6.733 0.000 . . . . . . A 92 HIS HD2 . 26061 1 85 . 1 1 14 14 HIS HE1 H 1 7.482 0.000 . . . . . . A 92 HIS HE1 . 26061 1 86 . 1 1 14 14 HIS C C 13 173.125 0.000 . . . . . . A 92 HIS C . 26061 1 87 . 1 1 14 14 HIS CA C 13 53.678 0.000 . . . . . . A 92 HIS CA . 26061 1 88 . 1 1 14 14 HIS CB C 13 34.880 0.000 . . . . . . A 92 HIS CB . 26061 1 89 . 1 1 14 14 HIS CD2 C 13 118.811 0.000 . . . . . . A 92 HIS CD2 . 26061 1 90 . 1 1 14 14 HIS CE1 C 13 138.063 0.000 . . . . . . A 92 HIS CE1 . 26061 1 91 . 1 1 14 14 HIS N N 15 125.262 0.000 . . . . . . A 92 HIS N . 26061 1 92 . 1 1 15 15 SER H H 1 10.453 0.000 . . . . . . A 93 SER H . 26061 1 93 . 1 1 15 15 SER CA C 13 58.312 0.000 . . . . . . A 93 SER CA . 26061 1 94 . 1 1 15 15 SER CB C 13 64.958 0.000 . . . . . . A 93 SER CB . 26061 1 95 . 1 1 15 15 SER N N 15 118.636 0.000 . . . . . . A 93 SER N . 26061 1 96 . 1 1 16 16 GLU HA H 1 4.025 0.000 . . . . . . A 94 GLU HA . 26061 1 97 . 1 1 16 16 GLU HB2 H 1 2.024 0.000 . . . . . . A 94 GLU HB2 . 26061 1 98 . 1 1 16 16 GLU HB3 H 1 2.024 0.000 . . . . . . A 94 GLU HB3 . 26061 1 99 . 1 1 16 16 GLU C C 13 178.683 0.000 . . . . . . A 94 GLU C . 26061 1 100 . 1 1 16 16 GLU CA C 13 60.451 0.000 . . . . . . A 94 GLU CA . 26061 1 101 . 1 1 16 16 GLU CB C 13 29.496 0.000 . . . . . . A 94 GLU CB . 26061 1 102 . 1 1 17 17 GLU H H 1 8.485 0.000 . . . . . . A 95 GLU H . 26061 1 103 . 1 1 17 17 GLU HA H 1 4.230 0.000 . . . . . . A 95 GLU HA . 26061 1 104 . 1 1 17 17 GLU HB2 H 1 2.014 0.000 . . . . . . A 95 GLU HB2 . 26061 1 105 . 1 1 17 17 GLU HB3 H 1 2.142 0.000 . . . . . . A 95 GLU HB3 . 26061 1 106 . 1 1 17 17 GLU HG2 H 1 2.326 0.000 . . . . . . A 95 GLU HG2 . 26061 1 107 . 1 1 17 17 GLU HG3 H 1 2.135 0.000 . . . . . . A 95 GLU HG3 . 26061 1 108 . 1 1 17 17 GLU C C 13 176.950 0.000 . . . . . . A 95 GLU C . 26061 1 109 . 1 1 17 17 GLU CA C 13 57.986 0.000 . . . . . . A 95 GLU CA . 26061 1 110 . 1 1 17 17 GLU CB C 13 30.724 0.000 . . . . . . A 95 GLU CB . 26061 1 111 . 1 1 17 17 GLU CG C 13 36.001 0.000 . . . . . . A 95 GLU CG . 26061 1 112 . 1 1 17 17 GLU N N 15 117.324 0.000 . . . . . . A 95 GLU N . 26061 1 113 . 1 1 18 18 ASP H H 1 7.511 0.000 . . . . . . A 96 ASP H . 26061 1 114 . 1 1 18 18 ASP HA H 1 5.171 0.000 . . . . . . A 96 ASP HA . 26061 1 115 . 1 1 18 18 ASP HB2 H 1 2.684 0.000 . . . . . . A 96 ASP HB2 . 26061 1 116 . 1 1 18 18 ASP HB3 H 1 3.186 0.001 . . . . . . A 96 ASP HB3 . 26061 1 117 . 1 1 18 18 ASP C C 13 174.269 0.000 . . . . . . A 96 ASP C . 26061 1 118 . 1 1 18 18 ASP CA C 13 53.375 0.000 . . . . . . A 96 ASP CA . 26061 1 119 . 1 1 18 18 ASP CB C 13 43.093 0.000 . . . . . . A 96 ASP CB . 26061 1 120 . 1 1 18 18 ASP N N 15 118.103 0.005 . . . . . . A 96 ASP N . 26061 1 121 . 1 1 19 19 LEU H H 1 7.115 0.000 . . . . . . A 97 LEU H . 26061 1 122 . 1 1 19 19 LEU HA H 1 3.484 0.000 . . . . . . A 97 LEU HA . 26061 1 123 . 1 1 19 19 LEU HB3 H 1 1.702 0.000 . . . . . . A 97 LEU HB3 . 26061 1 124 . 1 1 19 19 LEU HG H 1 1.351 0.001 . . . . . . A 97 LEU HG . 26061 1 125 . 1 1 19 19 LEU HD11 H 1 0.874 0.000 . . . . . . A 97 LEU HD11 . 26061 1 126 . 1 1 19 19 LEU HD12 H 1 0.874 0.000 . . . . . . A 97 LEU HD12 . 26061 1 127 . 1 1 19 19 LEU HD13 H 1 0.874 0.000 . . . . . . A 97 LEU HD13 . 26061 1 128 . 1 1 19 19 LEU HD21 H 1 0.843 0.000 . . . . . . A 97 LEU HD21 . 26061 1 129 . 1 1 19 19 LEU HD22 H 1 0.843 0.000 . . . . . . A 97 LEU HD22 . 26061 1 130 . 1 1 19 19 LEU HD23 H 1 0.843 0.000 . . . . . . A 97 LEU HD23 . 26061 1 131 . 1 1 19 19 LEU C C 13 176.892 0.000 . . . . . . A 97 LEU C . 26061 1 132 . 1 1 19 19 LEU CA C 13 59.118 0.000 . . . . . . A 97 LEU CA . 26061 1 133 . 1 1 19 19 LEU CB C 13 42.247 0.000 . . . . . . A 97 LEU CB . 26061 1 134 . 1 1 19 19 LEU CD2 C 13 25.801 0.000 . . . . . . A 97 LEU CD2 . 26061 1 135 . 1 1 19 19 LEU N N 15 120.251 0.001 . . . . . . A 97 LEU N . 26061 1 136 . 1 1 20 20 VAL H H 1 8.289 0.000 . . . . . . A 98 VAL H . 26061 1 137 . 1 1 20 20 VAL HA H 1 3.561 0.001 . . . . . . A 98 VAL HA . 26061 1 138 . 1 1 20 20 VAL HB H 1 1.879 0.001 . . . . . . A 98 VAL HB . 26061 1 139 . 1 1 20 20 VAL HG11 H 1 0.950 0.000 . . . . . . A 98 VAL HG11 . 26061 1 140 . 1 1 20 20 VAL HG12 H 1 0.950 0.000 . . . . . . A 98 VAL HG12 . 26061 1 141 . 1 1 20 20 VAL HG13 H 1 0.950 0.000 . . . . . . A 98 VAL HG13 . 26061 1 142 . 1 1 20 20 VAL HG21 H 1 0.858 0.000 . . . . . . A 98 VAL HG21 . 26061 1 143 . 1 1 20 20 VAL HG22 H 1 0.858 0.000 . . . . . . A 98 VAL HG22 . 26061 1 144 . 1 1 20 20 VAL HG23 H 1 0.858 0.000 . . . . . . A 98 VAL HG23 . 26061 1 145 . 1 1 20 20 VAL C C 13 177.735 0.000 . . . . . . A 98 VAL C . 26061 1 146 . 1 1 20 20 VAL CA C 13 67.042 0.000 . . . . . . A 98 VAL CA . 26061 1 147 . 1 1 20 20 VAL CB C 13 30.891 0.000 . . . . . . A 98 VAL CB . 26061 1 148 . 1 1 20 20 VAL CG1 C 13 23.054 0.000 . . . . . . A 98 VAL CG1 . 26061 1 149 . 1 1 20 20 VAL CG2 C 13 21.511 0.000 . . . . . . A 98 VAL CG2 . 26061 1 150 . 1 1 20 20 VAL N N 15 117.053 0.000 . . . . . . A 98 VAL N . 26061 1 151 . 1 1 21 21 ALA H H 1 7.724 0.000 . . . . . . A 99 ALA H . 26061 1 152 . 1 1 21 21 ALA HA H 1 4.212 0.001 . . . . . . A 99 ALA HA . 26061 1 153 . 1 1 21 21 ALA HB1 H 1 1.412 0.000 . . . . . . A 99 ALA HB1 . 26061 1 154 . 1 1 21 21 ALA HB2 H 1 1.412 0.000 . . . . . . A 99 ALA HB2 . 26061 1 155 . 1 1 21 21 ALA HB3 H 1 1.412 0.000 . . . . . . A 99 ALA HB3 . 26061 1 156 . 1 1 21 21 ALA C C 13 179.621 0.000 . . . . . . A 99 ALA C . 26061 1 157 . 1 1 21 21 ALA CA C 13 55.002 0.000 . . . . . . A 99 ALA CA . 26061 1 158 . 1 1 21 21 ALA CB C 13 18.320 0.000 . . . . . . A 99 ALA CB . 26061 1 159 . 1 1 21 21 ALA N N 15 122.277 0.000 . . . . . . A 99 ALA N . 26061 1 160 . 1 1 22 22 ALA H H 1 8.033 0.000 . . . . . . A 100 ALA H . 26061 1 161 . 1 1 22 22 ALA HA H 1 4.237 0.006 . . . . . . A 100 ALA HA . 26061 1 162 . 1 1 22 22 ALA HB1 H 1 1.537 0.000 . . . . . . A 100 ALA HB1 . 26061 1 163 . 1 1 22 22 ALA HB2 H 1 1.537 0.000 . . . . . . A 100 ALA HB2 . 26061 1 164 . 1 1 22 22 ALA HB3 H 1 1.537 0.000 . . . . . . A 100 ALA HB3 . 26061 1 165 . 1 1 22 22 ALA C C 13 179.256 0.000 . . . . . . A 100 ALA C . 26061 1 166 . 1 1 22 22 ALA CA C 13 55.235 0.000 . . . . . . A 100 ALA CA . 26061 1 167 . 1 1 22 22 ALA CB C 13 18.565 0.000 . . . . . . A 100 ALA CB . 26061 1 168 . 1 1 22 22 ALA N N 15 119.565 0.000 . . . . . . A 100 ALA N . 26061 1 169 . 1 1 23 23 GLN H H 1 8.662 0.001 . . . . . . A 101 GLN H . 26061 1 170 . 1 1 23 23 GLN HA H 1 3.770 0.006 . . . . . . A 101 GLN HA . 26061 1 171 . 1 1 23 23 GLN HB2 H 1 1.941 0.001 . . . . . . A 101 GLN HB2 . 26061 1 172 . 1 1 23 23 GLN HB3 H 1 2.336 0.007 . . . . . . A 101 GLN HB3 . 26061 1 173 . 1 1 23 23 GLN HG2 H 1 2.239 0.001 . . . . . . A 101 GLN HG2 . 26061 1 174 . 1 1 23 23 GLN HG3 H 1 2.481 0.003 . . . . . . A 101 GLN HG3 . 26061 1 175 . 1 1 23 23 GLN HE21 H 1 6.675 0.000 . . . . . . A 101 GLN HE21 . 26061 1 176 . 1 1 23 23 GLN HE22 H 1 6.675 0.000 . . . . . . A 101 GLN HE22 . 26061 1 177 . 1 1 23 23 GLN C C 13 179.423 0.000 . . . . . . A 101 GLN C . 26061 1 178 . 1 1 23 23 GLN CA C 13 58.715 0.000 . . . . . . A 101 GLN CA . 26061 1 179 . 1 1 23 23 GLN CB C 13 28.058 0.000 . . . . . . A 101 GLN CB . 26061 1 180 . 1 1 23 23 GLN CG C 13 34.497 0.001 . . . . . . A 101 GLN CG . 26061 1 181 . 1 1 23 23 GLN N N 15 118.001 0.004 . . . . . . A 101 GLN N . 26061 1 182 . 1 1 23 23 GLN NE2 N 15 112.403 0.053 . . . . . . A 101 GLN NE2 . 26061 1 183 . 1 1 24 24 ASP H H 1 8.732 0.000 . . . . . . A 102 ASP H . 26061 1 184 . 1 1 24 24 ASP HA H 1 4.425 0.000 . . . . . . A 102 ASP HA . 26061 1 185 . 1 1 24 24 ASP HB2 H 1 3.123 0.000 . . . . . . A 102 ASP HB2 . 26061 1 186 . 1 1 24 24 ASP HB3 H 1 2.766 0.000 . . . . . . A 102 ASP HB3 . 26061 1 187 . 1 1 24 24 ASP C C 13 179.197 0.000 . . . . . . A 102 ASP C . 26061 1 188 . 1 1 24 24 ASP CA C 13 57.397 0.000 . . . . . . A 102 ASP CA . 26061 1 189 . 1 1 24 24 ASP CB C 13 39.585 0.000 . . . . . . A 102 ASP CB . 26061 1 190 . 1 1 24 24 ASP N N 15 122.430 0.000 . . . . . . A 102 ASP N . 26061 1 191 . 1 1 25 25 LEU H H 1 8.131 0.002 . . . . . . A 103 LEU H . 26061 1 192 . 1 1 25 25 LEU HA H 1 3.303 0.000 . . . . . . A 103 LEU HA . 26061 1 193 . 1 1 25 25 LEU HB2 H 1 0.771 0.000 . . . . . . A 103 LEU HB2 . 26061 1 194 . 1 1 25 25 LEU C C 13 178.120 0.000 . . . . . . A 103 LEU C . 26061 1 195 . 1 1 25 25 LEU CA C 13 57.766 0.000 . . . . . . A 103 LEU CA . 26061 1 196 . 1 1 25 25 LEU CB C 13 39.593 0.000 . . . . . . A 103 LEU CB . 26061 1 197 . 1 1 25 25 LEU N N 15 124.170 0.031 . . . . . . A 103 LEU N . 26061 1 198 . 1 1 26 26 VAL H H 1 8.093 0.000 . . . . . . A 104 VAL H . 26061 1 199 . 1 1 26 26 VAL HA H 1 3.141 0.005 . . . . . . A 104 VAL HA . 26061 1 200 . 1 1 26 26 VAL HB H 1 2.110 0.001 . . . . . . A 104 VAL HB . 26061 1 201 . 1 1 26 26 VAL HG11 H 1 0.784 0.000 . . . . . . A 104 VAL HG11 . 26061 1 202 . 1 1 26 26 VAL HG12 H 1 0.784 0.000 . . . . . . A 104 VAL HG12 . 26061 1 203 . 1 1 26 26 VAL HG13 H 1 0.784 0.000 . . . . . . A 104 VAL HG13 . 26061 1 204 . 1 1 26 26 VAL HG21 H 1 0.749 0.000 . . . . . . A 104 VAL HG21 . 26061 1 205 . 1 1 26 26 VAL HG22 H 1 0.749 0.000 . . . . . . A 104 VAL HG22 . 26061 1 206 . 1 1 26 26 VAL HG23 H 1 0.749 0.000 . . . . . . A 104 VAL HG23 . 26061 1 207 . 1 1 26 26 VAL C C 13 177.461 0.000 . . . . . . A 104 VAL C . 26061 1 208 . 1 1 26 26 VAL CA C 13 68.307 0.000 . . . . . . A 104 VAL CA . 26061 1 209 . 1 1 26 26 VAL CB C 13 31.147 0.000 . . . . . . A 104 VAL CB . 26061 1 210 . 1 1 26 26 VAL CG1 C 13 21.100 0.000 . . . . . . A 104 VAL CG1 . 26061 1 211 . 1 1 26 26 VAL CG2 C 13 24.191 0.000 . . . . . . A 104 VAL CG2 . 26061 1 212 . 1 1 26 26 VAL N N 15 120.291 0.000 . . . . . . A 104 VAL N . 26061 1 213 . 1 1 27 27 SER H H 1 8.473 0.000 . . . . . . A 105 SER H . 26061 1 214 . 1 1 27 27 SER HA H 1 4.247 0.005 . . . . . . A 105 SER HA . 26061 1 215 . 1 1 27 27 SER HB2 H 1 3.962 0.008 . . . . . . A 105 SER HB2 . 26061 1 216 . 1 1 27 27 SER HB3 H 1 3.998 0.006 . . . . . . A 105 SER HB3 . 26061 1 217 . 1 1 27 27 SER C C 13 177.401 0.000 . . . . . . A 105 SER C . 26061 1 218 . 1 1 27 27 SER CA C 13 61.824 0.000 . . . . . . A 105 SER CA . 26061 1 219 . 1 1 27 27 SER CB C 13 62.704 0.000 . . . . . . A 105 SER CB . 26061 1 220 . 1 1 27 27 SER N N 15 114.019 0.000 . . . . . . A 105 SER N . 26061 1 221 . 1 1 28 28 TYR H H 1 8.301 0.000 . . . . . . A 106 TYR H . 26061 1 222 . 1 1 28 28 TYR HA H 1 4.110 0.000 . . . . . . A 106 TYR HA . 26061 1 223 . 1 1 28 28 TYR HB2 H 1 3.102 0.000 . . . . . . A 106 TYR HB2 . 26061 1 224 . 1 1 28 28 TYR HB3 H 1 3.334 0.001 . . . . . . A 106 TYR HB3 . 26061 1 225 . 1 1 28 28 TYR HD1 H 1 6.966 0.001 . . . . . . A 106 TYR HD1 . 26061 1 226 . 1 1 28 28 TYR HD2 H 1 6.966 0.001 . . . . . . A 106 TYR HD2 . 26061 1 227 . 1 1 28 28 TYR HE1 H 1 6.535 0.001 . . . . . . A 106 TYR HE1 . 26061 1 228 . 1 1 28 28 TYR HE2 H 1 6.535 0.001 . . . . . . A 106 TYR HE2 . 26061 1 229 . 1 1 28 28 TYR C C 13 178.447 0.000 . . . . . . A 106 TYR C . 26061 1 230 . 1 1 28 28 TYR CA C 13 60.894 0.000 . . . . . . A 106 TYR CA . 26061 1 231 . 1 1 28 28 TYR CB C 13 38.912 0.000 . . . . . . A 106 TYR CB . 26061 1 232 . 1 1 28 28 TYR CD2 C 13 132.711 0.002 . . . . . . A 106 TYR CD2 . 26061 1 233 . 1 1 28 28 TYR CE2 C 13 118.176 0.000 . . . . . . A 106 TYR CE2 . 26061 1 234 . 1 1 28 28 TYR N N 15 123.457 0.000 . . . . . . A 106 TYR N . 26061 1 235 . 1 1 29 29 LEU H H 1 8.547 0.001 . . . . . . A 107 LEU H . 26061 1 236 . 1 1 29 29 LEU HA H 1 3.705 0.003 . . . . . . A 107 LEU HA . 26061 1 237 . 1 1 29 29 LEU HB2 H 1 1.889 0.000 . . . . . . A 107 LEU HB2 . 26061 1 238 . 1 1 29 29 LEU HB3 H 1 1.826 0.000 . . . . . . A 107 LEU HB3 . 26061 1 239 . 1 1 29 29 LEU HG H 1 1.704 0.000 . . . . . . A 107 LEU HG . 26061 1 240 . 1 1 29 29 LEU HD11 H 1 1.181 0.001 . . . . . . A 107 LEU HD11 . 26061 1 241 . 1 1 29 29 LEU HD12 H 1 1.181 0.001 . . . . . . A 107 LEU HD12 . 26061 1 242 . 1 1 29 29 LEU HD13 H 1 1.181 0.001 . . . . . . A 107 LEU HD13 . 26061 1 243 . 1 1 29 29 LEU HD21 H 1 0.532 0.001 . . . . . . A 107 LEU HD21 . 26061 1 244 . 1 1 29 29 LEU HD22 H 1 0.532 0.001 . . . . . . A 107 LEU HD22 . 26061 1 245 . 1 1 29 29 LEU HD23 H 1 0.532 0.001 . . . . . . A 107 LEU HD23 . 26061 1 246 . 1 1 29 29 LEU C C 13 179.123 0.000 . . . . . . A 107 LEU C . 26061 1 247 . 1 1 29 29 LEU CA C 13 57.949 0.000 . . . . . . A 107 LEU CA . 26061 1 248 . 1 1 29 29 LEU CB C 13 40.696 0.000 . . . . . . A 107 LEU CB . 26061 1 249 . 1 1 29 29 LEU CD2 C 13 26.000 0.000 . . . . . . A 107 LEU CD2 . 26061 1 250 . 1 1 29 29 LEU N N 15 119.240 0.003 . . . . . . A 107 LEU N . 26061 1 251 . 1 1 30 30 GLU H H 1 8.576 0.003 . . . . . . A 108 GLU H . 26061 1 252 . 1 1 30 30 GLU HA H 1 4.585 0.000 . . . . . . A 108 GLU HA . 26061 1 253 . 1 1 30 30 GLU HB2 H 1 2.165 0.001 . . . . . . A 108 GLU HB2 . 26061 1 254 . 1 1 30 30 GLU HB3 H 1 2.058 0.001 . . . . . . A 108 GLU HB3 . 26061 1 255 . 1 1 30 30 GLU HG2 H 1 2.463 0.001 . . . . . . A 108 GLU HG2 . 26061 1 256 . 1 1 30 30 GLU HG3 H 1 2.550 0.001 . . . . . . A 108 GLU HG3 . 26061 1 257 . 1 1 30 30 GLU C C 13 178.348 0.000 . . . . . . A 108 GLU C . 26061 1 258 . 1 1 30 30 GLU CA C 13 58.654 0.000 . . . . . . A 108 GLU CA . 26061 1 259 . 1 1 30 30 GLU CB C 13 30.190 0.000 . . . . . . A 108 GLU CB . 26061 1 260 . 1 1 30 30 GLU CG C 13 36.758 0.000 . . . . . . A 108 GLU CG . 26061 1 261 . 1 1 30 30 GLU N N 15 119.005 0.009 . . . . . . A 108 GLU N . 26061 1 262 . 1 1 31 31 GLY H H 1 7.726 0.000 . . . . . . A 109 GLY H . 26061 1 263 . 1 1 31 31 GLY HA2 H 1 4.133 0.000 . . . . . . A 109 GLY HA2 . 26061 1 264 . 1 1 31 31 GLY HA3 H 1 3.717 0.000 . . . . . . A 109 GLY HA3 . 26061 1 265 . 1 1 31 31 GLY C C 13 174.390 0.000 . . . . . . A 109 GLY C . 26061 1 266 . 1 1 31 31 GLY CA C 13 45.229 0.000 . . . . . . A 109 GLY CA . 26061 1 267 . 1 1 31 31 GLY N N 15 105.353 0.000 . . . . . . A 109 GLY N . 26061 1 268 . 1 1 33 33 THR HA H 1 4.114 0.000 . . . . . . A 111 THR HA . 26061 1 269 . 1 1 33 33 THR HB H 1 4.260 0.000 . . . . . . A 111 THR HB . 26061 1 270 . 1 1 33 33 THR HG21 H 1 1.240 0.000 . . . . . . A 111 THR HG21 . 26061 1 271 . 1 1 33 33 THR HG22 H 1 1.240 0.000 . . . . . . A 111 THR HG22 . 26061 1 272 . 1 1 33 33 THR HG23 H 1 1.240 0.000 . . . . . . A 111 THR HG23 . 26061 1 273 . 1 1 33 33 THR CA C 13 64.024 0.000 . . . . . . A 111 THR CA . 26061 1 274 . 1 1 33 33 THR CB C 13 68.900 0.000 . . . . . . A 111 THR CB . 26061 1 275 . 1 1 33 33 THR CG2 C 13 21.966 0.000 . . . . . . A 111 THR CG2 . 26061 1 276 . 1 1 34 34 ALA HA H 1 4.294 0.001 . . . . . . A 112 ALA HA . 26061 1 277 . 1 1 34 34 ALA HB1 H 1 1.311 0.000 . . . . . . A 112 ALA HB1 . 26061 1 278 . 1 1 34 34 ALA HB2 H 1 1.311 0.000 . . . . . . A 112 ALA HB2 . 26061 1 279 . 1 1 34 34 ALA HB3 H 1 1.311 0.000 . . . . . . A 112 ALA HB3 . 26061 1 280 . 1 1 34 34 ALA C C 13 176.614 0.000 . . . . . . A 112 ALA C . 26061 1 281 . 1 1 34 34 ALA CA C 13 52.678 0.000 . . . . . . A 112 ALA CA . 26061 1 282 . 1 1 34 34 ALA CB C 13 18.862 0.000 . . . . . . A 112 ALA CB . 26061 1 283 . 1 1 35 35 SER H H 1 8.107 0.001 . . . . . . A 113 SER H . 26061 1 284 . 1 1 35 35 SER HA H 1 4.073 0.000 . . . . . . A 113 SER HA . 26061 1 285 . 1 1 35 35 SER HB2 H 1 3.890 0.000 . . . . . . A 113 SER HB2 . 26061 1 286 . 1 1 35 35 SER HB3 H 1 3.967 0.000 . . . . . . A 113 SER HB3 . 26061 1 287 . 1 1 35 35 SER C C 13 174.486 0.000 . . . . . . A 113 SER C . 26061 1 288 . 1 1 35 35 SER CA C 13 58.596 0.000 . . . . . . A 113 SER CA . 26061 1 289 . 1 1 35 35 SER CB C 13 62.203 0.001 . . . . . . A 113 SER CB . 26061 1 290 . 1 1 35 35 SER N N 15 113.402 0.000 . . . . . . A 113 SER N . 26061 1 291 . 1 1 36 36 LEU H H 1 7.184 0.001 . . . . . . A 114 LEU H . 26061 1 292 . 1 1 36 36 LEU HA H 1 4.115 0.000 . . . . . . A 114 LEU HA . 26061 1 293 . 1 1 36 36 LEU HB2 H 1 1.664 0.000 . . . . . . A 114 LEU HB2 . 26061 1 294 . 1 1 36 36 LEU HB3 H 1 1.430 0.000 . . . . . . A 114 LEU HB3 . 26061 1 295 . 1 1 36 36 LEU HG H 1 1.235 0.000 . . . . . . A 114 LEU HG . 26061 1 296 . 1 1 36 36 LEU HD11 H 1 0.956 0.000 . . . . . . A 114 LEU HD11 . 26061 1 297 . 1 1 36 36 LEU HD12 H 1 0.956 0.000 . . . . . . A 114 LEU HD12 . 26061 1 298 . 1 1 36 36 LEU HD13 H 1 0.956 0.000 . . . . . . A 114 LEU HD13 . 26061 1 299 . 1 1 36 36 LEU C C 13 175.657 0.000 . . . . . . A 114 LEU C . 26061 1 300 . 1 1 36 36 LEU CA C 13 54.419 0.000 . . . . . . A 114 LEU CA . 26061 1 301 . 1 1 36 36 LEU CB C 13 43.183 0.000 . . . . . . A 114 LEU CB . 26061 1 302 . 1 1 36 36 LEU N N 15 119.004 0.004 . . . . . . A 114 LEU N . 26061 1 303 . 1 1 37 37 ARG H H 1 9.724 0.002 . . . . . . A 115 ARG H . 26061 1 304 . 1 1 37 37 ARG HA H 1 4.898 0.000 . . . . . . A 115 ARG HA . 26061 1 305 . 1 1 37 37 ARG HB2 H 1 2.082 0.000 . . . . . . A 115 ARG HB2 . 26061 1 306 . 1 1 37 37 ARG C C 13 176.534 0.000 . . . . . . A 115 ARG C . 26061 1 307 . 1 1 37 37 ARG CA C 13 54.453 0.000 . . . . . . A 115 ARG CA . 26061 1 308 . 1 1 37 37 ARG CB C 13 29.988 0.000 . . . . . . A 115 ARG CB . 26061 1 309 . 1 1 37 37 ARG N N 15 122.105 0.000 . . . . . . A 115 ARG N . 26061 1 310 . 1 1 38 38 ALA H H 1 9.955 0.001 . . . . . . A 116 ALA H . 26061 1 311 . 1 1 38 38 ALA HA H 1 6.227 0.001 . . . . . . A 116 ALA HA . 26061 1 312 . 1 1 38 38 ALA HB1 H 1 1.213 0.000 . . . . . . A 116 ALA HB1 . 26061 1 313 . 1 1 38 38 ALA HB2 H 1 1.213 0.000 . . . . . . A 116 ALA HB2 . 26061 1 314 . 1 1 38 38 ALA HB3 H 1 1.213 0.000 . . . . . . A 116 ALA HB3 . 26061 1 315 . 1 1 38 38 ALA C C 13 174.376 0.000 . . . . . . A 116 ALA C . 26061 1 316 . 1 1 38 38 ALA CA C 13 50.044 0.000 . . . . . . A 116 ALA CA . 26061 1 317 . 1 1 38 38 ALA CB C 13 24.421 0.000 . . . . . . A 116 ALA CB . 26061 1 318 . 1 1 38 38 ALA N N 15 131.894 0.000 . . . . . . A 116 ALA N . 26061 1 319 . 1 1 39 39 PHE H H 1 8.078 0.000 . . . . . . A 117 PHE H . 26061 1 320 . 1 1 39 39 PHE HA H 1 4.766 0.000 . . . . . . A 117 PHE HA . 26061 1 321 . 1 1 39 39 PHE HB2 H 1 2.596 0.002 . . . . . . A 117 PHE HB2 . 26061 1 322 . 1 1 39 39 PHE HB3 H 1 2.480 0.000 . . . . . . A 117 PHE HB3 . 26061 1 323 . 1 1 39 39 PHE HD1 H 1 6.566 0.000 . . . . . . A 117 PHE HD1 . 26061 1 324 . 1 1 39 39 PHE HD2 H 1 6.566 0.000 . . . . . . A 117 PHE HD2 . 26061 1 325 . 1 1 39 39 PHE HZ H 1 6.926 0.000 . . . . . . A 117 PHE HZ . 26061 1 326 . 1 1 39 39 PHE C C 13 172.358 0.000 . . . . . . A 117 PHE C . 26061 1 327 . 1 1 39 39 PHE CA C 13 55.508 0.000 . . . . . . A 117 PHE CA . 26061 1 328 . 1 1 39 39 PHE CB C 13 41.139 0.000 . . . . . . A 117 PHE CB . 26061 1 329 . 1 1 39 39 PHE CD2 C 13 132.607 0.000 . . . . . . A 117 PHE CD2 . 26061 1 330 . 1 1 39 39 PHE CZ C 13 129.823 0.000 . . . . . . A 117 PHE CZ . 26061 1 331 . 1 1 39 39 PHE N N 15 116.116 0.000 . . . . . . A 117 PHE N . 26061 1 332 . 1 1 40 40 LEU H H 1 8.249 0.001 . . . . . . A 118 LEU H . 26061 1 333 . 1 1 40 40 LEU C C 13 175.450 0.000 . . . . . . A 118 LEU C . 26061 1 334 . 1 1 40 40 LEU CA C 13 53.237 0.000 . . . . . . A 118 LEU CA . 26061 1 335 . 1 1 40 40 LEU CB C 13 40.511 0.000 . . . . . . A 118 LEU CB . 26061 1 336 . 1 1 40 40 LEU N N 15 120.827 0.000 . . . . . . A 118 LEU N . 26061 1 337 . 1 1 41 41 GLN CA C 13 57.033 0.000 . . . . . . A 119 GLN CA . 26061 1 338 . 1 1 42 42 LEU H H 1 8.887 0.000 . . . . . . A 120 LEU H . 26061 1 339 . 1 1 42 42 LEU HA H 1 4.252 0.000 . . . . . . A 120 LEU HA . 26061 1 340 . 1 1 42 42 LEU HB2 H 1 1.691 0.001 . . . . . . A 120 LEU HB2 . 26061 1 341 . 1 1 42 42 LEU HB3 H 1 1.421 0.000 . . . . . . A 120 LEU HB3 . 26061 1 342 . 1 1 42 42 LEU HG H 1 1.357 0.000 . . . . . . A 120 LEU HG . 26061 1 343 . 1 1 42 42 LEU HD11 H 1 0.876 0.000 . . . . . . A 120 LEU HD11 . 26061 1 344 . 1 1 42 42 LEU HD12 H 1 0.876 0.000 . . . . . . A 120 LEU HD12 . 26061 1 345 . 1 1 42 42 LEU HD13 H 1 0.876 0.000 . . . . . . A 120 LEU HD13 . 26061 1 346 . 1 1 42 42 LEU HD21 H 1 0.830 0.000 . . . . . . A 120 LEU HD21 . 26061 1 347 . 1 1 42 42 LEU HD22 H 1 0.830 0.000 . . . . . . A 120 LEU HD22 . 26061 1 348 . 1 1 42 42 LEU HD23 H 1 0.830 0.000 . . . . . . A 120 LEU HD23 . 26061 1 349 . 1 1 42 42 LEU C C 13 176.783 0.000 . . . . . . A 120 LEU C . 26061 1 350 . 1 1 42 42 LEU CA C 13 54.391 0.000 . . . . . . A 120 LEU CA . 26061 1 351 . 1 1 42 42 LEU CB C 13 42.611 0.000 . . . . . . A 120 LEU CB . 26061 1 352 . 1 1 42 42 LEU CG C 13 27.155 0.000 . . . . . . A 120 LEU CG . 26061 1 353 . 1 1 42 42 LEU CD1 C 13 25.408 0.000 . . . . . . A 120 LEU CD1 . 26061 1 354 . 1 1 42 42 LEU CD2 C 13 23.844 0.000 . . . . . . A 120 LEU CD2 . 26061 1 355 . 1 1 42 42 LEU N N 15 129.555 0.000 . . . . . . A 120 LEU N . 26061 1 356 . 1 1 43 43 ARG H H 1 8.189 0.000 . . . . . . A 121 ARG H . 26061 1 357 . 1 1 43 43 ARG HA H 1 3.447 0.000 . . . . . . A 121 ARG HA . 26061 1 358 . 1 1 43 43 ARG HB2 H 1 0.803 0.000 . . . . . . A 121 ARG HB2 . 26061 1 359 . 1 1 43 43 ARG HB3 H 1 0.580 0.000 . . . . . . A 121 ARG HB3 . 26061 1 360 . 1 1 43 43 ARG HG2 H 1 0.362 0.000 . . . . . . A 121 ARG HG2 . 26061 1 361 . 1 1 43 43 ARG HG3 H 1 0.533 0.000 . . . . . . A 121 ARG HG3 . 26061 1 362 . 1 1 43 43 ARG HD2 H 1 2.508 0.000 . . . . . . A 121 ARG HD2 . 26061 1 363 . 1 1 43 43 ARG HD3 H 1 2.339 0.000 . . . . . . A 121 ARG HD3 . 26061 1 364 . 1 1 43 43 ARG C C 13 175.707 0.000 . . . . . . A 121 ARG C . 26061 1 365 . 1 1 43 43 ARG CA C 13 55.792 0.000 . . . . . . A 121 ARG CA . 26061 1 366 . 1 1 43 43 ARG CB C 13 29.488 0.000 . . . . . . A 121 ARG CB . 26061 1 367 . 1 1 43 43 ARG CG C 13 26.651 0.000 . . . . . . A 121 ARG CG . 26061 1 368 . 1 1 43 43 ARG CD C 13 42.576 0.000 . . . . . . A 121 ARG CD . 26061 1 369 . 1 1 43 43 ARG N N 15 122.844 0.000 . . . . . . A 121 ARG N . 26061 1 370 . 1 1 44 44 ASP H H 1 7.347 0.002 . . . . . . A 122 ASP H . 26061 1 371 . 1 1 44 44 ASP HA H 1 4.420 0.000 . . . . . . A 122 ASP HA . 26061 1 372 . 1 1 44 44 ASP HB2 H 1 2.590 0.003 . . . . . . A 122 ASP HB2 . 26061 1 373 . 1 1 44 44 ASP HB3 H 1 2.481 0.005 . . . . . . A 122 ASP HB3 . 26061 1 374 . 1 1 44 44 ASP CA C 13 53.749 0.000 . . . . . . A 122 ASP CA . 26061 1 375 . 1 1 44 44 ASP CB C 13 41.493 0.000 . . . . . . A 122 ASP CB . 26061 1 376 . 1 1 44 44 ASP N N 15 121.253 0.012 . . . . . . A 122 ASP N . 26061 1 377 . 1 1 45 45 ALA H H 1 8.132 0.000 . . . . . . A 123 ALA H . 26061 1 378 . 1 1 45 45 ALA HA H 1 4.295 0.001 . . . . . . A 123 ALA HA . 26061 1 379 . 1 1 45 45 ALA HB1 H 1 1.283 0.000 . . . . . . A 123 ALA HB1 . 26061 1 380 . 1 1 45 45 ALA HB2 H 1 1.283 0.000 . . . . . . A 123 ALA HB2 . 26061 1 381 . 1 1 45 45 ALA HB3 H 1 1.283 0.000 . . . . . . A 123 ALA HB3 . 26061 1 382 . 1 1 45 45 ALA C C 13 177.581 0.000 . . . . . . A 123 ALA C . 26061 1 383 . 1 1 45 45 ALA CA C 13 52.257 0.000 . . . . . . A 123 ALA CA . 26061 1 384 . 1 1 45 45 ALA CB C 13 19.436 0.000 . . . . . . A 123 ALA CB . 26061 1 385 . 1 1 45 45 ALA N N 15 124.178 0.000 . . . . . . A 123 ALA N . 26061 1 386 . 1 1 46 46 THR H H 1 8.215 0.000 . . . . . . A 124 THR H . 26061 1 387 . 1 1 46 46 THR HA H 1 4.458 0.000 . . . . . . A 124 THR HA . 26061 1 388 . 1 1 46 46 THR HB H 1 4.069 0.000 . . . . . . A 124 THR HB . 26061 1 389 . 1 1 46 46 THR HG21 H 1 1.130 0.000 . . . . . . A 124 THR HG21 . 26061 1 390 . 1 1 46 46 THR HG22 H 1 1.130 0.000 . . . . . . A 124 THR HG22 . 26061 1 391 . 1 1 46 46 THR HG23 H 1 1.130 0.000 . . . . . . A 124 THR HG23 . 26061 1 392 . 1 1 46 46 THR C C 13 173.228 0.000 . . . . . . A 124 THR C . 26061 1 393 . 1 1 46 46 THR CA C 13 60.060 0.004 . . . . . . A 124 THR CA . 26061 1 394 . 1 1 46 46 THR CB C 13 69.431 0.000 . . . . . . A 124 THR CB . 26061 1 395 . 1 1 46 46 THR CG2 C 13 21.530 0.000 . . . . . . A 124 THR CG2 . 26061 1 396 . 1 1 46 46 THR N N 15 115.749 0.000 . . . . . . A 124 THR N . 26061 1 397 . 1 1 50 50 ALA HA H 1 4.232 0.001 . . . . . . A 128 ALA HA . 26061 1 398 . 1 1 50 50 ALA HB1 H 1 1.289 0.000 . . . . . . A 128 ALA HB1 . 26061 1 399 . 1 1 50 50 ALA HB2 H 1 1.289 0.000 . . . . . . A 128 ALA HB2 . 26061 1 400 . 1 1 50 50 ALA HB3 H 1 1.289 0.000 . . . . . . A 128 ALA HB3 . 26061 1 401 . 1 1 50 50 ALA C C 13 177.493 0.000 . . . . . . A 128 ALA C . 26061 1 402 . 1 1 50 50 ALA CA C 13 52.299 0.000 . . . . . . A 128 ALA CA . 26061 1 403 . 1 1 50 50 ALA CB C 13 19.270 0.000 . . . . . . A 128 ALA CB . 26061 1 404 . 1 1 51 51 ILE H H 1 8.082 0.004 . . . . . . A 129 ILE H . 26061 1 405 . 1 1 51 51 ILE HA H 1 4.064 0.000 . . . . . . A 129 ILE HA . 26061 1 406 . 1 1 51 51 ILE HB H 1 1.747 0.002 . . . . . . A 129 ILE HB . 26061 1 407 . 1 1 51 51 ILE HG12 H 1 1.388 0.000 . . . . . . A 129 ILE HG12 . 26061 1 408 . 1 1 51 51 ILE HG13 H 1 1.099 0.000 . . . . . . A 129 ILE HG13 . 26061 1 409 . 1 1 51 51 ILE HG21 H 1 0.755 0.001 . . . . . . A 129 ILE HG21 . 26061 1 410 . 1 1 51 51 ILE HG22 H 1 0.755 0.001 . . . . . . A 129 ILE HG22 . 26061 1 411 . 1 1 51 51 ILE HG23 H 1 0.755 0.001 . . . . . . A 129 ILE HG23 . 26061 1 412 . 1 1 51 51 ILE HD11 H 1 0.745 0.000 . . . . . . A 129 ILE HD11 . 26061 1 413 . 1 1 51 51 ILE HD12 H 1 0.745 0.000 . . . . . . A 129 ILE HD12 . 26061 1 414 . 1 1 51 51 ILE HD13 H 1 0.745 0.000 . . . . . . A 129 ILE HD13 . 26061 1 415 . 1 1 51 51 ILE C C 13 176.394 0.000 . . . . . . A 129 ILE C . 26061 1 416 . 1 1 51 51 ILE CA C 13 61.118 0.000 . . . . . . A 129 ILE CA . 26061 1 417 . 1 1 51 51 ILE CB C 13 38.250 0.000 . . . . . . A 129 ILE CB . 26061 1 418 . 1 1 51 51 ILE CG1 C 13 27.518 0.000 . . . . . . A 129 ILE CG1 . 26061 1 419 . 1 1 51 51 ILE CG2 C 13 17.642 0.000 . . . . . . A 129 ILE CG2 . 26061 1 420 . 1 1 51 51 ILE CD1 C 13 12.599 0.000 . . . . . . A 129 ILE CD1 . 26061 1 421 . 1 1 51 51 ILE N N 15 119.862 0.000 . . . . . . A 129 ILE N . 26061 1 422 . 1 1 52 52 VAL H H 1 8.131 0.000 . . . . . . A 130 VAL H . 26061 1 423 . 1 1 52 52 VAL HA H 1 4.074 0.000 . . . . . . A 130 VAL HA . 26061 1 424 . 1 1 52 52 VAL HB H 1 2.008 0.006 . . . . . . A 130 VAL HB . 26061 1 425 . 1 1 52 52 VAL HG11 H 1 0.855 0.001 . . . . . . A 130 VAL HG11 . 26061 1 426 . 1 1 52 52 VAL HG12 H 1 0.855 0.001 . . . . . . A 130 VAL HG12 . 26061 1 427 . 1 1 52 52 VAL HG13 H 1 0.855 0.001 . . . . . . A 130 VAL HG13 . 26061 1 428 . 1 1 52 52 VAL C C 13 175.993 0.000 . . . . . . A 130 VAL C . 26061 1 429 . 1 1 52 52 VAL CA C 13 62.289 0.000 . . . . . . A 130 VAL CA . 26061 1 430 . 1 1 52 52 VAL CB C 13 32.667 0.000 . . . . . . A 130 VAL CB . 26061 1 431 . 1 1 52 52 VAL CG1 C 13 21.097 0.000 . . . . . . A 130 VAL CG1 . 26061 1 432 . 1 1 52 52 VAL N N 15 123.792 0.000 . . . . . . A 130 VAL N . 26061 1 433 . 1 1 58 58 ALA HA H 1 4.167 0.000 . . . . . . A 136 ALA HA . 26061 1 434 . 1 1 58 58 ALA HB1 H 1 1.304 0.000 . . . . . . A 136 ALA HB1 . 26061 1 435 . 1 1 58 58 ALA HB2 H 1 1.304 0.000 . . . . . . A 136 ALA HB2 . 26061 1 436 . 1 1 58 58 ALA HB3 H 1 1.304 0.000 . . . . . . A 136 ALA HB3 . 26061 1 437 . 1 1 58 58 ALA CA C 13 54.496 0.000 . . . . . . A 136 ALA CA . 26061 1 438 . 1 1 58 58 ALA CB C 13 18.948 0.000 . . . . . . A 136 ALA CB . 26061 1 439 . 1 1 59 59 LEU H H 1 8.370 0.000 . . . . . . A 137 LEU H . 26061 1 440 . 1 1 59 59 LEU CB C 13 41.563 0.000 . . . . . . A 137 LEU CB . 26061 1 441 . 1 1 59 59 LEU N N 15 119.739 0.000 . . . . . . A 137 LEU N . 26061 1 442 . 1 1 61 61 SER HA H 1 4.585 0.000 . . . . . . A 139 SER HA . 26061 1 443 . 1 1 61 61 SER HB2 H 1 3.945 0.000 . . . . . . A 139 SER HB2 . 26061 1 444 . 1 1 61 61 SER HB3 H 1 4.024 0.000 . . . . . . A 139 SER HB3 . 26061 1 445 . 1 1 61 61 SER C C 13 172.668 0.000 . . . . . . A 139 SER C . 26061 1 446 . 1 1 61 61 SER CA C 13 58.298 0.000 . . . . . . A 139 SER CA . 26061 1 447 . 1 1 61 61 SER CB C 13 64.540 0.000 . . . . . . A 139 SER CB . 26061 1 448 . 1 1 62 62 SER H H 1 7.456 0.004 . . . . . . A 140 SER H . 26061 1 449 . 1 1 62 62 SER HA H 1 5.345 0.000 . . . . . . A 140 SER HA . 26061 1 450 . 1 1 62 62 SER HB2 H 1 3.536 0.000 . . . . . . A 140 SER HB2 . 26061 1 451 . 1 1 62 62 SER HB3 H 1 3.459 0.000 . . . . . . A 140 SER HB3 . 26061 1 452 . 1 1 62 62 SER C C 13 174.766 0.000 . . . . . . A 140 SER C . 26061 1 453 . 1 1 62 62 SER CA C 13 55.766 0.000 . . . . . . A 140 SER CA . 26061 1 454 . 1 1 62 62 SER CB C 13 66.394 0.000 . . . . . . A 140 SER CB . 26061 1 455 . 1 1 62 62 SER N N 15 112.587 0.000 . . . . . . A 140 SER N . 26061 1 456 . 1 1 63 63 HIS H H 1 7.473 0.000 . . . . . . A 141 HIS H . 26061 1 457 . 1 1 63 63 HIS HA H 1 4.506 0.000 . . . . . . A 141 HIS HA . 26061 1 458 . 1 1 63 63 HIS HB2 H 1 3.286 0.000 . . . . . . A 141 HIS HB2 . 26061 1 459 . 1 1 63 63 HIS HB3 H 1 3.544 0.000 . . . . . . A 141 HIS HB3 . 26061 1 460 . 1 1 63 63 HIS HD2 H 1 7.149 0.000 . . . . . . A 141 HIS HD2 . 26061 1 461 . 1 1 63 63 HIS HE1 H 1 7.576 0.000 . . . . . . A 141 HIS HE1 . 26061 1 462 . 1 1 63 63 HIS C C 13 175.640 0.000 . . . . . . A 141 HIS C . 26061 1 463 . 1 1 63 63 HIS CA C 13 60.274 0.003 . . . . . . A 141 HIS CA . 26061 1 464 . 1 1 63 63 HIS CB C 13 32.429 0.000 . . . . . . A 141 HIS CB . 26061 1 465 . 1 1 63 63 HIS CD2 C 13 124.897 0.000 . . . . . . A 141 HIS CD2 . 26061 1 466 . 1 1 63 63 HIS CE1 C 13 138.558 0.000 . . . . . . A 141 HIS CE1 . 26061 1 467 . 1 1 63 63 HIS N N 15 121.856 0.000 . . . . . . A 141 HIS N . 26061 1 468 . 1 1 64 64 CYS H H 1 7.804 0.000 . . . . . . A 142 CYS H . 26061 1 469 . 1 1 64 64 CYS HA H 1 5.275 0.000 . . . . . . A 142 CYS HA . 26061 1 470 . 1 1 64 64 CYS HB2 H 1 2.627 0.001 . . . . . . A 142 CYS HB2 . 26061 1 471 . 1 1 64 64 CYS HB3 H 1 2.799 0.000 . . . . . . A 142 CYS HB3 . 26061 1 472 . 1 1 64 64 CYS C C 13 174.362 0.000 . . . . . . A 142 CYS C . 26061 1 473 . 1 1 64 64 CYS CA C 13 56.113 0.000 . . . . . . A 142 CYS CA . 26061 1 474 . 1 1 64 64 CYS CB C 13 31.385 0.000 . . . . . . A 142 CYS CB . 26061 1 475 . 1 1 64 64 CYS N N 15 110.991 0.000 . . . . . . A 142 CYS N . 26061 1 476 . 1 1 65 65 ARG H H 1 8.869 0.000 . . . . . . A 143 ARG H . 26061 1 477 . 1 1 65 65 ARG HA H 1 5.174 0.001 . . . . . . A 143 ARG HA . 26061 1 478 . 1 1 65 65 ARG HB2 H 1 1.690 0.000 . . . . . . A 143 ARG HB2 . 26061 1 479 . 1 1 65 65 ARG HB3 H 1 1.550 0.000 . . . . . . A 143 ARG HB3 . 26061 1 480 . 1 1 65 65 ARG HG2 H 1 1.587 0.001 . . . . . . A 143 ARG HG2 . 26061 1 481 . 1 1 65 65 ARG HG3 H 1 1.690 0.000 . . . . . . A 143 ARG HG3 . 26061 1 482 . 1 1 65 65 ARG HD2 H 1 3.055 0.001 . . . . . . A 143 ARG HD2 . 26061 1 483 . 1 1 65 65 ARG HD3 H 1 2.896 0.000 . . . . . . A 143 ARG HD3 . 26061 1 484 . 1 1 65 65 ARG C C 13 174.735 0.000 . . . . . . A 143 ARG C . 26061 1 485 . 1 1 65 65 ARG CA C 13 54.391 0.000 . . . . . . A 143 ARG CA . 26061 1 486 . 1 1 65 65 ARG CB C 13 33.087 0.000 . . . . . . A 143 ARG CB . 26061 1 487 . 1 1 65 65 ARG CG C 13 26.977 0.002 . . . . . . A 143 ARG CG . 26061 1 488 . 1 1 65 65 ARG CD C 13 43.961 0.000 . . . . . . A 143 ARG CD . 26061 1 489 . 1 1 65 65 ARG N N 15 123.094 0.000 . . . . . . A 143 ARG N . 26061 1 490 . 1 1 66 66 VAL H H 1 8.834 0.003 . . . . . . A 144 VAL H . 26061 1 491 . 1 1 66 66 VAL HA H 1 4.859 0.000 . . . . . . A 144 VAL HA . 26061 1 492 . 1 1 66 66 VAL HB H 1 1.629 0.000 . . . . . . A 144 VAL HB . 26061 1 493 . 1 1 66 66 VAL HG11 H 1 0.758 0.001 . . . . . . A 144 VAL HG11 . 26061 1 494 . 1 1 66 66 VAL HG12 H 1 0.758 0.001 . . . . . . A 144 VAL HG12 . 26061 1 495 . 1 1 66 66 VAL HG13 H 1 0.758 0.001 . . . . . . A 144 VAL HG13 . 26061 1 496 . 1 1 66 66 VAL HG21 H 1 0.676 0.000 . . . . . . A 144 VAL HG21 . 26061 1 497 . 1 1 66 66 VAL HG22 H 1 0.676 0.000 . . . . . . A 144 VAL HG22 . 26061 1 498 . 1 1 66 66 VAL HG23 H 1 0.676 0.000 . . . . . . A 144 VAL HG23 . 26061 1 499 . 1 1 66 66 VAL C C 13 175.013 0.000 . . . . . . A 144 VAL C . 26061 1 500 . 1 1 66 66 VAL CA C 13 59.762 0.000 . . . . . . A 144 VAL CA . 26061 1 501 . 1 1 66 66 VAL CB C 13 34.531 0.000 . . . . . . A 144 VAL CB . 26061 1 502 . 1 1 66 66 VAL CG2 C 13 20.175 0.000 . . . . . . A 144 VAL CG2 . 26061 1 503 . 1 1 66 66 VAL N N 15 124.468 0.000 . . . . . . A 144 VAL N . 26061 1 504 . 1 1 67 67 LEU H H 1 7.606 0.000 . . . . . . A 145 LEU H . 26061 1 505 . 1 1 67 67 LEU HA H 1 4.679 0.000 . . . . . . A 145 LEU HA . 26061 1 506 . 1 1 67 67 LEU HB2 H 1 1.529 0.000 . . . . . . A 145 LEU HB2 . 26061 1 507 . 1 1 67 67 LEU HD11 H 1 0.895 0.000 . . . . . . A 145 LEU HD11 . 26061 1 508 . 1 1 67 67 LEU HD12 H 1 0.895 0.000 . . . . . . A 145 LEU HD12 . 26061 1 509 . 1 1 67 67 LEU HD13 H 1 0.895 0.000 . . . . . . A 145 LEU HD13 . 26061 1 510 . 1 1 67 67 LEU HD21 H 1 0.621 0.000 . . . . . . A 145 LEU HD21 . 26061 1 511 . 1 1 67 67 LEU HD22 H 1 0.621 0.000 . . . . . . A 145 LEU HD22 . 26061 1 512 . 1 1 67 67 LEU HD23 H 1 0.621 0.000 . . . . . . A 145 LEU HD23 . 26061 1 513 . 1 1 67 67 LEU C C 13 173.219 0.000 . . . . . . A 145 LEU C . 26061 1 514 . 1 1 67 67 LEU CA C 13 52.957 0.000 . . . . . . A 145 LEU CA . 26061 1 515 . 1 1 67 67 LEU CB C 13 42.374 0.000 . . . . . . A 145 LEU CB . 26061 1 516 . 1 1 67 67 LEU N N 15 125.706 0.027 . . . . . . A 145 LEU N . 26061 1 517 . 1 1 68 68 LEU H H 1 8.387 0.000 . . . . . . A 146 LEU H . 26061 1 518 . 1 1 68 68 LEU HA H 1 4.516 0.000 . . . . . . A 146 LEU HA . 26061 1 519 . 1 1 68 68 LEU HB2 H 1 2.266 0.001 . . . . . . A 146 LEU HB2 . 26061 1 520 . 1 1 68 68 LEU HB3 H 1 1.569 0.000 . . . . . . A 146 LEU HB3 . 26061 1 521 . 1 1 68 68 LEU HG H 1 1.399 0.000 . . . . . . A 146 LEU HG . 26061 1 522 . 1 1 68 68 LEU HD11 H 1 0.813 0.002 . . . . . . A 146 LEU HD11 . 26061 1 523 . 1 1 68 68 LEU HD12 H 1 0.813 0.002 . . . . . . A 146 LEU HD12 . 26061 1 524 . 1 1 68 68 LEU HD13 H 1 0.813 0.002 . . . . . . A 146 LEU HD13 . 26061 1 525 . 1 1 68 68 LEU HD21 H 1 0.731 0.000 . . . . . . A 146 LEU HD21 . 26061 1 526 . 1 1 68 68 LEU HD22 H 1 0.731 0.000 . . . . . . A 146 LEU HD22 . 26061 1 527 . 1 1 68 68 LEU HD23 H 1 0.731 0.000 . . . . . . A 146 LEU HD23 . 26061 1 528 . 1 1 68 68 LEU C C 13 172.850 0.000 . . . . . . A 146 LEU C . 26061 1 529 . 1 1 68 68 LEU CA C 13 53.971 0.000 . . . . . . A 146 LEU CA . 26061 1 530 . 1 1 68 68 LEU CB C 13 40.883 0.000 . . . . . . A 146 LEU CB . 26061 1 531 . 1 1 68 68 LEU CD1 C 13 25.349 0.000 . . . . . . A 146 LEU CD1 . 26061 1 532 . 1 1 68 68 LEU CD2 C 13 23.288 0.000 . . . . . . A 146 LEU CD2 . 26061 1 533 . 1 1 68 68 LEU N N 15 128.106 0.000 . . . . . . A 146 LEU N . 26061 1 534 . 1 1 69 69 ILE H H 1 8.814 0.000 . . . . . . A 147 ILE H . 26061 1 535 . 1 1 69 69 ILE HA H 1 3.020 0.003 . . . . . . A 147 ILE HA . 26061 1 536 . 1 1 69 69 ILE HB H 1 1.630 0.000 . . . . . . A 147 ILE HB . 26061 1 537 . 1 1 69 69 ILE HG12 H 1 0.895 0.000 . . . . . . A 147 ILE HG12 . 26061 1 538 . 1 1 69 69 ILE HG13 H 1 0.809 0.000 . . . . . . A 147 ILE HG13 . 26061 1 539 . 1 1 69 69 ILE HG21 H 1 0.457 0.000 . . . . . . A 147 ILE HG21 . 26061 1 540 . 1 1 69 69 ILE HG22 H 1 0.457 0.000 . . . . . . A 147 ILE HG22 . 26061 1 541 . 1 1 69 69 ILE HG23 H 1 0.457 0.000 . . . . . . A 147 ILE HG23 . 26061 1 542 . 1 1 69 69 ILE HD11 H 1 0.297 0.000 . . . . . . A 147 ILE HD11 . 26061 1 543 . 1 1 69 69 ILE HD12 H 1 0.297 0.000 . . . . . . A 147 ILE HD12 . 26061 1 544 . 1 1 69 69 ILE HD13 H 1 0.297 0.000 . . . . . . A 147 ILE HD13 . 26061 1 545 . 1 1 69 69 ILE C C 13 172.132 0.000 . . . . . . A 147 ILE C . 26061 1 546 . 1 1 69 69 ILE CA C 13 63.327 0.000 . . . . . . A 147 ILE CA . 26061 1 547 . 1 1 69 69 ILE CB C 13 35.498 0.000 . . . . . . A 147 ILE CB . 26061 1 548 . 1 1 69 69 ILE CG1 C 13 25.072 0.002 . . . . . . A 147 ILE CG1 . 26061 1 549 . 1 1 69 69 ILE CG2 C 13 17.358 0.000 . . . . . . A 147 ILE CG2 . 26061 1 550 . 1 1 69 69 ILE CD1 C 13 13.614 0.000 . . . . . . A 147 ILE CD1 . 26061 1 551 . 1 1 69 69 ILE N N 15 127.527 0.000 . . . . . . A 147 ILE N . 26061 1 552 . 1 1 70 70 THR H H 1 6.912 0.000 . . . . . . A 148 THR H . 26061 1 553 . 1 1 70 70 THR C C 13 174.584 0.000 . . . . . . A 148 THR C . 26061 1 554 . 1 1 70 70 THR CA C 13 58.211 0.000 . . . . . . A 148 THR CA . 26061 1 555 . 1 1 70 70 THR CB C 13 69.535 0.000 . . . . . . A 148 THR CB . 26061 1 556 . 1 1 70 70 THR N N 15 118.762 0.000 . . . . . . A 148 THR N . 26061 1 557 . 1 1 71 71 PRO HA H 1 4.208 0.000 . . . . . . A 149 PRO HA . 26061 1 558 . 1 1 71 71 PRO HB2 H 1 1.909 0.000 . . . . . . A 149 PRO HB2 . 26061 1 559 . 1 1 71 71 PRO HB3 H 1 2.378 0.001 . . . . . . A 149 PRO HB3 . 26061 1 560 . 1 1 71 71 PRO HG2 H 1 1.811 0.000 . . . . . . A 149 PRO HG2 . 26061 1 561 . 1 1 71 71 PRO HG3 H 1 1.376 0.000 . . . . . . A 149 PRO HG3 . 26061 1 562 . 1 1 71 71 PRO HD2 H 1 3.772 0.000 . . . . . . A 149 PRO HD2 . 26061 1 563 . 1 1 71 71 PRO C C 13 179.695 0.000 . . . . . . A 149 PRO C . 26061 1 564 . 1 1 71 71 PRO CA C 13 66.025 0.000 . . . . . . A 149 PRO CA . 26061 1 565 . 1 1 71 71 PRO CB C 13 31.559 0.000 . . . . . . A 149 PRO CB . 26061 1 566 . 1 1 72 72 GLY H H 1 8.405 0.000 . . . . . . A 150 GLY H . 26061 1 567 . 1 1 72 72 GLY HA2 H 1 3.734 0.000 . . . . . . A 150 GLY HA2 . 26061 1 568 . 1 1 72 72 GLY HA3 H 1 3.734 0.000 . . . . . . A 150 GLY HA3 . 26061 1 569 . 1 1 72 72 GLY C C 13 176.935 0.000 . . . . . . A 150 GLY C . 26061 1 570 . 1 1 72 72 GLY CA C 13 46.918 0.000 . . . . . . A 150 GLY CA . 26061 1 571 . 1 1 72 72 GLY N N 15 105.134 0.000 . . . . . . A 150 GLY N . 26061 1 572 . 1 1 73 73 PHE H H 1 8.308 0.000 . . . . . . A 151 PHE H . 26061 1 573 . 1 1 73 73 PHE HA H 1 4.240 0.000 . . . . . . A 151 PHE HA . 26061 1 574 . 1 1 73 73 PHE HB2 H 1 3.747 0.000 . . . . . . A 151 PHE HB2 . 26061 1 575 . 1 1 73 73 PHE C C 13 176.815 0.000 . . . . . . A 151 PHE C . 26061 1 576 . 1 1 73 73 PHE CA C 13 61.221 0.000 . . . . . . A 151 PHE CA . 26061 1 577 . 1 1 73 73 PHE CB C 13 40.348 0.000 . . . . . . A 151 PHE CB . 26061 1 578 . 1 1 73 73 PHE N N 15 124.888 0.004 . . . . . . A 151 PHE N . 26061 1 579 . 1 1 74 74 LEU H H 1 7.641 0.000 . . . . . . A 152 LEU H . 26061 1 580 . 1 1 74 74 LEU HA H 1 4.011 0.000 . . . . . . A 152 LEU HA . 26061 1 581 . 1 1 74 74 LEU HB2 H 1 1.577 0.000 . . . . . . A 152 LEU HB2 . 26061 1 582 . 1 1 74 74 LEU HB3 H 1 1.882 0.000 . . . . . . A 152 LEU HB3 . 26061 1 583 . 1 1 74 74 LEU HD11 H 1 0.851 0.000 . . . . . . A 152 LEU HD11 . 26061 1 584 . 1 1 74 74 LEU HD12 H 1 0.851 0.000 . . . . . . A 152 LEU HD12 . 26061 1 585 . 1 1 74 74 LEU HD13 H 1 0.851 0.000 . . . . . . A 152 LEU HD13 . 26061 1 586 . 1 1 74 74 LEU C C 13 177.698 0.000 . . . . . . A 152 LEU C . 26061 1 587 . 1 1 74 74 LEU CA C 13 56.477 0.000 . . . . . . A 152 LEU CA . 26061 1 588 . 1 1 74 74 LEU CB C 13 41.368 0.000 . . . . . . A 152 LEU CB . 26061 1 589 . 1 1 74 74 LEU CD1 C 13 26.379 0.000 . . . . . . A 152 LEU CD1 . 26061 1 590 . 1 1 74 74 LEU N N 15 112.498 0.001 . . . . . . A 152 LEU N . 26061 1 591 . 1 1 75 75 GLN H H 1 7.250 0.000 . . . . . . A 153 GLN H . 26061 1 592 . 1 1 75 75 GLN HA H 1 4.322 0.000 . . . . . . A 153 GLN HA . 26061 1 593 . 1 1 75 75 GLN HB2 H 1 2.012 0.000 . . . . . . A 153 GLN HB2 . 26061 1 594 . 1 1 75 75 GLN HB3 H 1 2.250 0.000 . . . . . . A 153 GLN HB3 . 26061 1 595 . 1 1 75 75 GLN HG2 H 1 2.454 0.005 . . . . . . A 153 GLN HG2 . 26061 1 596 . 1 1 75 75 GLN C C 13 174.854 0.000 . . . . . . A 153 GLN C . 26061 1 597 . 1 1 75 75 GLN CA C 13 55.196 0.000 . . . . . . A 153 GLN CA . 26061 1 598 . 1 1 75 75 GLN CB C 13 29.661 0.000 . . . . . . A 153 GLN CB . 26061 1 599 . 1 1 75 75 GLN CG C 13 33.936 0.000 . . . . . . A 153 GLN CG . 26061 1 600 . 1 1 75 75 GLN N N 15 114.736 0.000 . . . . . . A 153 GLN N . 26061 1 601 . 1 1 76 76 ASP H H 1 7.402 0.000 . . . . . . A 154 ASP H . 26061 1 602 . 1 1 76 76 ASP HA H 1 5.113 0.000 . . . . . . A 154 ASP HA . 26061 1 603 . 1 1 76 76 ASP HB2 H 1 2.680 0.000 . . . . . . A 154 ASP HB2 . 26061 1 604 . 1 1 76 76 ASP HB3 H 1 2.946 0.000 . . . . . . A 154 ASP HB3 . 26061 1 605 . 1 1 76 76 ASP C C 13 174.343 0.000 . . . . . . A 154 ASP C . 26061 1 606 . 1 1 76 76 ASP CA C 13 50.752 0.000 . . . . . . A 154 ASP CA . 26061 1 607 . 1 1 76 76 ASP CB C 13 43.223 0.000 . . . . . . A 154 ASP CB . 26061 1 608 . 1 1 76 76 ASP N N 15 123.331 0.000 . . . . . . A 154 ASP N . 26061 1 609 . 1 1 77 77 PRO HA H 1 4.105 0.000 . . . . . . A 155 PRO HA . 26061 1 610 . 1 1 77 77 PRO HB2 H 1 2.345 0.000 . . . . . . A 155 PRO HB2 . 26061 1 611 . 1 1 77 77 PRO HB3 H 1 1.981 0.000 . . . . . . A 155 PRO HB3 . 26061 1 612 . 1 1 77 77 PRO HG2 H 1 2.128 0.000 . . . . . . A 155 PRO HG2 . 26061 1 613 . 1 1 77 77 PRO HG3 H 1 2.248 0.000 . . . . . . A 155 PRO HG3 . 26061 1 614 . 1 1 77 77 PRO C C 13 179.251 0.000 . . . . . . A 155 PRO C . 26061 1 615 . 1 1 77 77 PRO CA C 13 65.219 0.000 . . . . . . A 155 PRO CA . 26061 1 616 . 1 1 77 77 PRO CB C 13 32.301 0.000 . . . . . . A 155 PRO CB . 26061 1 617 . 1 1 78 78 TRP H H 1 8.264 0.000 . . . . . . A 156 TRP H . 26061 1 618 . 1 1 78 78 TRP HA H 1 4.238 0.000 . . . . . . A 156 TRP HA . 26061 1 619 . 1 1 78 78 TRP HB2 H 1 2.872 0.008 . . . . . . A 156 TRP HB2 . 26061 1 620 . 1 1 78 78 TRP HB3 H 1 2.900 0.000 . . . . . . A 156 TRP HB3 . 26061 1 621 . 1 1 78 78 TRP HD1 H 1 7.209 0.000 . . . . . . A 156 TRP HD1 . 26061 1 622 . 1 1 78 78 TRP HE1 H 1 10.372 0.000 . . . . . . A 156 TRP HE1 . 26061 1 623 . 1 1 78 78 TRP C C 13 178.474 0.000 . . . . . . A 156 TRP C . 26061 1 624 . 1 1 78 78 TRP CA C 13 62.196 0.000 . . . . . . A 156 TRP CA . 26061 1 625 . 1 1 78 78 TRP CB C 13 28.856 0.000 . . . . . . A 156 TRP CB . 26061 1 626 . 1 1 78 78 TRP CD1 C 13 127.027 0.000 . . . . . . A 156 TRP CD1 . 26061 1 627 . 1 1 78 78 TRP N N 15 120.289 0.000 . . . . . . A 156 TRP N . 26061 1 628 . 1 1 78 78 TRP NE1 N 15 129.503 0.000 . . . . . . A 156 TRP NE1 . 26061 1 629 . 1 1 79 79 CYS H H 1 7.722 0.000 . . . . . . A 157 CYS H . 26061 1 630 . 1 1 79 79 CYS HA H 1 5.470 0.000 . . . . . . A 157 CYS HA . 26061 1 631 . 1 1 79 79 CYS HB2 H 1 2.827 0.000 . . . . . . A 157 CYS HB2 . 26061 1 632 . 1 1 79 79 CYS C C 13 176.357 0.000 . . . . . . A 157 CYS C . 26061 1 633 . 1 1 79 79 CYS CA C 13 63.840 0.000 . . . . . . A 157 CYS CA . 26061 1 634 . 1 1 79 79 CYS CB C 13 25.771 0.000 . . . . . . A 157 CYS CB . 26061 1 635 . 1 1 79 79 CYS N N 15 120.377 0.000 . . . . . . A 157 CYS N . 26061 1 636 . 1 1 80 80 LYS H H 1 8.218 0.000 . . . . . . A 158 LYS H . 26061 1 637 . 1 1 80 80 LYS HA H 1 3.566 0.000 . . . . . . A 158 LYS HA . 26061 1 638 . 1 1 80 80 LYS HB3 H 1 1.704 0.001 . . . . . . A 158 LYS HB3 . 26061 1 639 . 1 1 80 80 LYS HG2 H 1 1.450 0.000 . . . . . . A 158 LYS HG2 . 26061 1 640 . 1 1 80 80 LYS HG3 H 1 1.311 0.000 . . . . . . A 158 LYS HG3 . 26061 1 641 . 1 1 80 80 LYS HD2 H 1 1.645 0.000 . . . . . . A 158 LYS HD2 . 26061 1 642 . 1 1 80 80 LYS HD3 H 1 1.676 0.000 . . . . . . A 158 LYS HD3 . 26061 1 643 . 1 1 80 80 LYS HE2 H 1 2.870 0.000 . . . . . . A 158 LYS HE2 . 26061 1 644 . 1 1 80 80 LYS HE3 H 1 2.738 0.001 . . . . . . A 158 LYS HE3 . 26061 1 645 . 1 1 80 80 LYS C C 13 178.199 0.000 . . . . . . A 158 LYS C . 26061 1 646 . 1 1 80 80 LYS CA C 13 60.366 0.000 . . . . . . A 158 LYS CA . 26061 1 647 . 1 1 80 80 LYS CB C 13 31.575 0.000 . . . . . . A 158 LYS CB . 26061 1 648 . 1 1 80 80 LYS CG C 13 25.295 0.000 . . . . . . A 158 LYS CG . 26061 1 649 . 1 1 80 80 LYS CD C 13 29.055 0.000 . . . . . . A 158 LYS CD . 26061 1 650 . 1 1 80 80 LYS CE C 13 41.825 0.003 . . . . . . A 158 LYS CE . 26061 1 651 . 1 1 80 80 LYS N N 15 118.119 0.000 . . . . . . A 158 LYS N . 26061 1 652 . 1 1 81 81 TYR H H 1 7.653 0.000 . . . . . . A 159 TYR H . 26061 1 653 . 1 1 81 81 TYR HA H 1 4.029 0.005 . . . . . . A 159 TYR HA . 26061 1 654 . 1 1 81 81 TYR HB2 H 1 2.926 0.000 . . . . . . A 159 TYR HB2 . 26061 1 655 . 1 1 81 81 TYR HB3 H 1 2.975 0.002 . . . . . . A 159 TYR HB3 . 26061 1 656 . 1 1 81 81 TYR HD1 H 1 6.845 0.000 . . . . . . A 159 TYR HD1 . 26061 1 657 . 1 1 81 81 TYR HD2 H 1 6.845 0.000 . . . . . . A 159 TYR HD2 . 26061 1 658 . 1 1 81 81 TYR HE1 H 1 6.628 0.000 . . . . . . A 159 TYR HE1 . 26061 1 659 . 1 1 81 81 TYR HE2 H 1 6.628 0.000 . . . . . . A 159 TYR HE2 . 26061 1 660 . 1 1 81 81 TYR C C 13 177.653 0.000 . . . . . . A 159 TYR C . 26061 1 661 . 1 1 81 81 TYR CA C 13 61.453 0.000 . . . . . . A 159 TYR CA . 26061 1 662 . 1 1 81 81 TYR CB C 13 37.566 0.001 . . . . . . A 159 TYR CB . 26061 1 663 . 1 1 81 81 TYR CD1 C 13 133.018 0.000 . . . . . . A 159 TYR CD1 . 26061 1 664 . 1 1 81 81 TYR CE1 C 13 117.986 0.000 . . . . . . A 159 TYR CE1 . 26061 1 665 . 1 1 81 81 TYR N N 15 119.640 0.000 . . . . . . A 159 TYR N . 26061 1 666 . 1 1 82 82 GLN H H 1 7.681 0.000 . . . . . . A 160 GLN H . 26061 1 667 . 1 1 82 82 GLN HA H 1 3.365 0.000 . . . . . . A 160 GLN HA . 26061 1 668 . 1 1 82 82 GLN HB2 H 1 1.281 0.000 . . . . . . A 160 GLN HB2 . 26061 1 669 . 1 1 82 82 GLN HB3 H 1 1.564 0.000 . . . . . . A 160 GLN HB3 . 26061 1 670 . 1 1 82 82 GLN C C 13 179.001 0.000 . . . . . . A 160 GLN C . 26061 1 671 . 1 1 82 82 GLN CA C 13 57.662 0.000 . . . . . . A 160 GLN CA . 26061 1 672 . 1 1 82 82 GLN CB C 13 27.700 0.000 . . . . . . A 160 GLN CB . 26061 1 673 . 1 1 82 82 GLN N N 15 117.679 0.000 . . . . . . A 160 GLN N . 26061 1 674 . 1 1 83 83 MET H H 1 8.180 0.000 . . . . . . A 161 MET H . 26061 1 675 . 1 1 83 83 MET HA H 1 3.694 0.000 . . . . . . A 161 MET HA . 26061 1 676 . 1 1 83 83 MET HB2 H 1 2.168 0.000 . . . . . . A 161 MET HB2 . 26061 1 677 . 1 1 83 83 MET HB3 H 1 1.782 0.000 . . . . . . A 161 MET HB3 . 26061 1 678 . 1 1 83 83 MET HG2 H 1 2.063 0.000 . . . . . . A 161 MET HG2 . 26061 1 679 . 1 1 83 83 MET HG3 H 1 2.527 0.000 . . . . . . A 161 MET HG3 . 26061 1 680 . 1 1 83 83 MET HE1 H 1 1.924 0.000 . . . . . . A 161 MET HE1 . 26061 1 681 . 1 1 83 83 MET HE2 H 1 1.924 0.000 . . . . . . A 161 MET HE2 . 26061 1 682 . 1 1 83 83 MET HE3 H 1 1.924 0.000 . . . . . . A 161 MET HE3 . 26061 1 683 . 1 1 83 83 MET C C 13 176.401 0.000 . . . . . . A 161 MET C . 26061 1 684 . 1 1 83 83 MET CA C 13 59.216 0.000 . . . . . . A 161 MET CA . 26061 1 685 . 1 1 83 83 MET CB C 13 33.409 0.000 . . . . . . A 161 MET CB . 26061 1 686 . 1 1 83 83 MET CE C 13 17.250 0.000 . . . . . . A 161 MET CE . 26061 1 687 . 1 1 83 83 MET N N 15 118.199 0.000 . . . . . . A 161 MET N . 26061 1 688 . 1 1 84 84 LEU H H 1 8.075 0.000 . . . . . . A 162 LEU H . 26061 1 689 . 1 1 84 84 LEU HA H 1 3.837 0.005 . . . . . . A 162 LEU HA . 26061 1 690 . 1 1 84 84 LEU HB2 H 1 1.627 0.000 . . . . . . A 162 LEU HB2 . 26061 1 691 . 1 1 84 84 LEU HB3 H 1 1.451 0.000 . . . . . . A 162 LEU HB3 . 26061 1 692 . 1 1 84 84 LEU HD11 H 1 0.801 0.000 . . . . . . A 162 LEU HD11 . 26061 1 693 . 1 1 84 84 LEU HD12 H 1 0.801 0.000 . . . . . . A 162 LEU HD12 . 26061 1 694 . 1 1 84 84 LEU HD13 H 1 0.801 0.000 . . . . . . A 162 LEU HD13 . 26061 1 695 . 1 1 84 84 LEU HD21 H 1 0.735 0.000 . . . . . . A 162 LEU HD21 . 26061 1 696 . 1 1 84 84 LEU HD22 H 1 0.735 0.000 . . . . . . A 162 LEU HD22 . 26061 1 697 . 1 1 84 84 LEU HD23 H 1 0.735 0.000 . . . . . . A 162 LEU HD23 . 26061 1 698 . 1 1 84 84 LEU C C 13 180.283 0.000 . . . . . . A 162 LEU C . 26061 1 699 . 1 1 84 84 LEU CA C 13 57.917 0.000 . . . . . . A 162 LEU CA . 26061 1 700 . 1 1 84 84 LEU CB C 13 40.995 0.000 . . . . . . A 162 LEU CB . 26061 1 701 . 1 1 84 84 LEU N N 15 118.957 0.000 . . . . . . A 162 LEU N . 26061 1 702 . 1 1 85 85 GLN H H 1 7.942 0.000 . . . . . . A 163 GLN H . 26061 1 703 . 1 1 85 85 GLN HA H 1 3.705 0.000 . . . . . . A 163 GLN HA . 26061 1 704 . 1 1 85 85 GLN HB2 H 1 1.688 0.001 . . . . . . A 163 GLN HB2 . 26061 1 705 . 1 1 85 85 GLN HB3 H 1 1.817 0.010 . . . . . . A 163 GLN HB3 . 26061 1 706 . 1 1 85 85 GLN HG2 H 1 1.938 0.002 . . . . . . A 163 GLN HG2 . 26061 1 707 . 1 1 85 85 GLN HG3 H 1 1.783 0.007 . . . . . . A 163 GLN HG3 . 26061 1 708 . 1 1 85 85 GLN HE21 H 1 6.701 0.000 . . . . . . A 163 GLN HE21 . 26061 1 709 . 1 1 85 85 GLN HE22 H 1 6.769 0.001 . . . . . . A 163 GLN HE22 . 26061 1 710 . 1 1 85 85 GLN C C 13 177.777 0.000 . . . . . . A 163 GLN C . 26061 1 711 . 1 1 85 85 GLN CA C 13 58.413 0.000 . . . . . . A 163 GLN CA . 26061 1 712 . 1 1 85 85 GLN CB C 13 28.600 0.000 . . . . . . A 163 GLN CB . 26061 1 713 . 1 1 85 85 GLN CG C 13 34.006 0.000 . . . . . . A 163 GLN CG . 26061 1 714 . 1 1 85 85 GLN N N 15 118.336 0.000 . . . . . . A 163 GLN N . 26061 1 715 . 1 1 85 85 GLN NE2 N 15 112.440 0.000 . . . . . . A 163 GLN NE2 . 26061 1 716 . 1 1 86 86 ALA H H 1 7.799 0.000 . . . . . . A 164 ALA H . 26061 1 717 . 1 1 86 86 ALA HA H 1 4.042 0.000 . . . . . . A 164 ALA HA . 26061 1 718 . 1 1 86 86 ALA HB1 H 1 1.354 0.000 . . . . . . A 164 ALA HB1 . 26061 1 719 . 1 1 86 86 ALA HB2 H 1 1.354 0.000 . . . . . . A 164 ALA HB2 . 26061 1 720 . 1 1 86 86 ALA HB3 H 1 1.354 0.000 . . . . . . A 164 ALA HB3 . 26061 1 721 . 1 1 86 86 ALA C C 13 179.262 0.000 . . . . . . A 164 ALA C . 26061 1 722 . 1 1 86 86 ALA CA C 13 53.989 0.000 . . . . . . A 164 ALA CA . 26061 1 723 . 1 1 86 86 ALA CB C 13 18.630 0.000 . . . . . . A 164 ALA CB . 26061 1 724 . 1 1 86 86 ALA N N 15 119.959 0.000 . . . . . . A 164 ALA N . 26061 1 725 . 1 1 87 87 LEU H H 1 7.845 0.000 . . . . . . A 165 LEU H . 26061 1 726 . 1 1 87 87 LEU HA H 1 4.236 0.000 . . . . . . A 165 LEU HA . 26061 1 727 . 1 1 87 87 LEU HB2 H 1 1.684 0.000 . . . . . . A 165 LEU HB2 . 26061 1 728 . 1 1 87 87 LEU HB3 H 1 1.524 0.000 . . . . . . A 165 LEU HB3 . 26061 1 729 . 1 1 87 87 LEU HG H 1 0.836 0.000 . . . . . . A 165 LEU HG . 26061 1 730 . 1 1 87 87 LEU HD11 H 1 0.776 0.000 . . . . . . A 165 LEU HD11 . 26061 1 731 . 1 1 87 87 LEU HD12 H 1 0.776 0.000 . . . . . . A 165 LEU HD12 . 26061 1 732 . 1 1 87 87 LEU HD13 H 1 0.776 0.000 . . . . . . A 165 LEU HD13 . 26061 1 733 . 1 1 87 87 LEU HD21 H 1 0.671 0.000 . . . . . . A 165 LEU HD21 . 26061 1 734 . 1 1 87 87 LEU HD22 H 1 0.671 0.000 . . . . . . A 165 LEU HD22 . 26061 1 735 . 1 1 87 87 LEU HD23 H 1 0.671 0.000 . . . . . . A 165 LEU HD23 . 26061 1 736 . 1 1 87 87 LEU C C 13 177.607 0.000 . . . . . . A 165 LEU C . 26061 1 737 . 1 1 87 87 LEU CA C 13 55.779 0.000 . . . . . . A 165 LEU CA . 26061 1 738 . 1 1 87 87 LEU CB C 13 41.445 0.000 . . . . . . A 165 LEU CB . 26061 1 739 . 1 1 87 87 LEU N N 15 114.998 0.000 . . . . . . A 165 LEU N . 26061 1 740 . 1 1 88 88 THR H H 1 7.411 0.000 . . . . . . A 166 THR H . 26061 1 741 . 1 1 88 88 THR HA H 1 4.257 0.001 . . . . . . A 166 THR HA . 26061 1 742 . 1 1 88 88 THR HB H 1 4.228 0.000 . . . . . . A 166 THR HB . 26061 1 743 . 1 1 88 88 THR C C 13 174.392 0.000 . . . . . . A 166 THR C . 26061 1 744 . 1 1 88 88 THR CA C 13 62.567 0.000 . . . . . . A 166 THR CA . 26061 1 745 . 1 1 88 88 THR CB C 13 69.866 0.000 . . . . . . A 166 THR CB . 26061 1 746 . 1 1 88 88 THR N N 15 111.635 0.000 . . . . . . A 166 THR N . 26061 1 747 . 1 1 89 89 GLU H H 1 7.887 0.000 . . . . . . A 167 GLU H . 26061 1 748 . 1 1 89 89 GLU HA H 1 4.154 0.000 . . . . . . A 167 GLU HA . 26061 1 749 . 1 1 89 89 GLU HB2 H 1 1.890 0.007 . . . . . . A 167 GLU HB2 . 26061 1 750 . 1 1 89 89 GLU HB3 H 1 1.758 0.000 . . . . . . A 167 GLU HB3 . 26061 1 751 . 1 1 89 89 GLU HG2 H 1 2.132 0.001 . . . . . . A 167 GLU HG2 . 26061 1 752 . 1 1 89 89 GLU HG3 H 1 2.218 0.000 . . . . . . A 167 GLU HG3 . 26061 1 753 . 1 1 89 89 GLU C C 13 175.948 0.000 . . . . . . A 167 GLU C . 26061 1 754 . 1 1 89 89 GLU CA C 13 56.784 0.000 . . . . . . A 167 GLU CA . 26061 1 755 . 1 1 89 89 GLU CB C 13 30.233 0.000 . . . . . . A 167 GLU CB . 26061 1 756 . 1 1 89 89 GLU CG C 13 36.488 0.000 . . . . . . A 167 GLU CG . 26061 1 757 . 1 1 89 89 GLU N N 15 122.576 0.000 . . . . . . A 167 GLU N . 26061 1 758 . 1 1 90 90 ALA H H 1 8.298 0.000 . . . . . . A 168 ALA H . 26061 1 759 . 1 1 90 90 ALA HA H 1 4.504 0.005 . . . . . . A 168 ALA HA . 26061 1 760 . 1 1 90 90 ALA HB1 H 1 1.279 0.005 . . . . . . A 168 ALA HB1 . 26061 1 761 . 1 1 90 90 ALA HB2 H 1 1.279 0.005 . . . . . . A 168 ALA HB2 . 26061 1 762 . 1 1 90 90 ALA HB3 H 1 1.279 0.005 . . . . . . A 168 ALA HB3 . 26061 1 763 . 1 1 90 90 ALA C C 13 175.126 0.000 . . . . . . A 168 ALA C . 26061 1 764 . 1 1 90 90 ALA CA C 13 51.062 0.000 . . . . . . A 168 ALA CA . 26061 1 765 . 1 1 90 90 ALA CB C 13 18.100 0.002 . . . . . . A 168 ALA CB . 26061 1 766 . 1 1 90 90 ALA N N 15 125.918 0.000 . . . . . . A 168 ALA N . 26061 1 767 . 1 1 92 92 GLY HA2 H 1 3.929 0.000 . . . . . . A 170 GLY HA2 . 26061 1 768 . 1 1 92 92 GLY HA3 H 1 3.929 0.000 . . . . . . A 170 GLY HA3 . 26061 1 769 . 1 1 92 92 GLY CA C 13 45.244 0.000 . . . . . . A 170 GLY CA . 26061 1 770 . 1 1 93 93 ALA H H 1 7.976 0.000 . . . . . . A 171 ALA H . 26061 1 771 . 1 1 93 93 ALA HA H 1 4.321 0.000 . . . . . . A 171 ALA HA . 26061 1 772 . 1 1 93 93 ALA HB1 H 1 1.388 0.000 . . . . . . A 171 ALA HB1 . 26061 1 773 . 1 1 93 93 ALA HB2 H 1 1.388 0.000 . . . . . . A 171 ALA HB2 . 26061 1 774 . 1 1 93 93 ALA HB3 H 1 1.388 0.000 . . . . . . A 171 ALA HB3 . 26061 1 775 . 1 1 93 93 ALA C C 13 177.454 0.000 . . . . . . A 171 ALA C . 26061 1 776 . 1 1 93 93 ALA CA C 13 52.252 0.000 . . . . . . A 171 ALA CA . 26061 1 777 . 1 1 93 93 ALA CB C 13 19.509 0.000 . . . . . . A 171 ALA CB . 26061 1 778 . 1 1 93 93 ALA N N 15 123.789 0.000 . . . . . . A 171 ALA N . 26061 1 779 . 1 1 94 94 GLU H H 1 8.496 0.000 . . . . . . A 172 GLU H . 26061 1 780 . 1 1 94 94 GLU HA H 1 4.295 0.000 . . . . . . A 172 GLU HA . 26061 1 781 . 1 1 94 94 GLU HB2 H 1 1.952 0.000 . . . . . . A 172 GLU HB2 . 26061 1 782 . 1 1 94 94 GLU HB3 H 1 2.257 0.000 . . . . . . A 172 GLU HB3 . 26061 1 783 . 1 1 94 94 GLU HG2 H 1 2.465 0.000 . . . . . . A 172 GLU HG2 . 26061 1 784 . 1 1 94 94 GLU C C 13 176.722 0.000 . . . . . . A 172 GLU C . 26061 1 785 . 1 1 94 94 GLU CA C 13 57.023 0.000 . . . . . . A 172 GLU CA . 26061 1 786 . 1 1 94 94 GLU CB C 13 30.245 0.000 . . . . . . A 172 GLU CB . 26061 1 787 . 1 1 94 94 GLU N N 15 120.476 0.000 . . . . . . A 172 GLU N . 26061 1 788 . 1 1 95 95 GLY H H 1 8.224 0.001 . . . . . . A 173 GLY H . 26061 1 789 . 1 1 95 95 GLY HA2 H 1 4.228 0.000 . . . . . . A 173 GLY HA2 . 26061 1 790 . 1 1 95 95 GLY HA3 H 1 3.885 0.001 . . . . . . A 173 GLY HA3 . 26061 1 791 . 1 1 95 95 GLY C C 13 173.221 0.000 . . . . . . A 173 GLY C . 26061 1 792 . 1 1 95 95 GLY CA C 13 45.197 0.000 . . . . . . A 173 GLY CA . 26061 1 793 . 1 1 95 95 GLY N N 15 110.561 0.000 . . . . . . A 173 GLY N . 26061 1 794 . 1 1 96 96 CYS H H 1 7.611 0.000 . . . . . . A 174 CYS H . 26061 1 795 . 1 1 96 96 CYS HA H 1 4.447 0.000 . . . . . . A 174 CYS HA . 26061 1 796 . 1 1 96 96 CYS HB2 H 1 2.370 0.000 . . . . . . A 174 CYS HB2 . 26061 1 797 . 1 1 96 96 CYS C C 13 173.522 0.000 . . . . . . A 174 CYS C . 26061 1 798 . 1 1 96 96 CYS CA C 13 58.884 0.000 . . . . . . A 174 CYS CA . 26061 1 799 . 1 1 96 96 CYS CB C 13 28.608 0.000 . . . . . . A 174 CYS CB . 26061 1 800 . 1 1 96 96 CYS N N 15 116.706 0.000 . . . . . . A 174 CYS N . 26061 1 801 . 1 1 97 97 THR H H 1 8.584 0.000 . . . . . . A 175 THR H . 26061 1 802 . 1 1 97 97 THR HA H 1 4.921 0.000 . . . . . . A 175 THR HA . 26061 1 803 . 1 1 97 97 THR HB H 1 3.911 0.000 . . . . . . A 175 THR HB . 26061 1 804 . 1 1 97 97 THR HG21 H 1 0.820 0.000 . . . . . . A 175 THR HG21 . 26061 1 805 . 1 1 97 97 THR HG22 H 1 0.820 0.000 . . . . . . A 175 THR HG22 . 26061 1 806 . 1 1 97 97 THR HG23 H 1 0.820 0.000 . . . . . . A 175 THR HG23 . 26061 1 807 . 1 1 97 97 THR C C 13 173.513 0.000 . . . . . . A 175 THR C . 26061 1 808 . 1 1 97 97 THR CA C 13 62.024 0.000 . . . . . . A 175 THR CA . 26061 1 809 . 1 1 97 97 THR CB C 13 69.021 0.000 . . . . . . A 175 THR CB . 26061 1 810 . 1 1 97 97 THR CG2 C 13 22.297 0.000 . . . . . . A 175 THR CG2 . 26061 1 811 . 1 1 97 97 THR N N 15 123.215 0.000 . . . . . . A 175 THR N . 26061 1 812 . 1 1 98 98 ILE H H 1 9.262 0.000 . . . . . . A 176 ILE H . 26061 1 813 . 1 1 98 98 ILE HA H 1 4.448 0.000 . . . . . . A 176 ILE HA . 26061 1 814 . 1 1 98 98 ILE HB H 1 1.773 0.000 . . . . . . A 176 ILE HB . 26061 1 815 . 1 1 98 98 ILE HG12 H 1 1.396 0.000 . . . . . . A 176 ILE HG12 . 26061 1 816 . 1 1 98 98 ILE HG13 H 1 1.396 0.000 . . . . . . A 176 ILE HG13 . 26061 1 817 . 1 1 98 98 ILE HG21 H 1 0.758 0.000 . . . . . . A 176 ILE HG21 . 26061 1 818 . 1 1 98 98 ILE HG22 H 1 0.758 0.000 . . . . . . A 176 ILE HG22 . 26061 1 819 . 1 1 98 98 ILE HG23 H 1 0.758 0.000 . . . . . . A 176 ILE HG23 . 26061 1 820 . 1 1 98 98 ILE HD11 H 1 0.707 0.000 . . . . . . A 176 ILE HD11 . 26061 1 821 . 1 1 98 98 ILE HD12 H 1 0.707 0.000 . . . . . . A 176 ILE HD12 . 26061 1 822 . 1 1 98 98 ILE HD13 H 1 0.707 0.000 . . . . . . A 176 ILE HD13 . 26061 1 823 . 1 1 98 98 ILE C C 13 172.845 0.000 . . . . . . A 176 ILE C . 26061 1 824 . 1 1 98 98 ILE CA C 13 58.292 0.000 . . . . . . A 176 ILE CA . 26061 1 825 . 1 1 98 98 ILE CB C 13 41.048 0.000 . . . . . . A 176 ILE CB . 26061 1 826 . 1 1 98 98 ILE CG1 C 13 27.293 0.000 . . . . . . A 176 ILE CG1 . 26061 1 827 . 1 1 98 98 ILE CG2 C 13 18.446 0.000 . . . . . . A 176 ILE CG2 . 26061 1 828 . 1 1 98 98 ILE CD1 C 13 15.423 0.000 . . . . . . A 176 ILE CD1 . 26061 1 829 . 1 1 98 98 ILE N N 15 127.792 0.000 . . . . . . A 176 ILE N . 26061 1 830 . 1 1 99 99 PRO HA H 1 4.563 0.000 . . . . . . A 177 PRO HA . 26061 1 831 . 1 1 99 99 PRO HB2 H 1 1.790 0.000 . . . . . . A 177 PRO HB2 . 26061 1 832 . 1 1 99 99 PRO C C 13 173.505 0.000 . . . . . . A 177 PRO C . 26061 1 833 . 1 1 99 99 PRO CA C 13 61.567 0.000 . . . . . . A 177 PRO CA . 26061 1 834 . 1 1 99 99 PRO CB C 13 31.603 0.000 . . . . . . A 177 PRO CB . 26061 1 835 . 1 1 100 100 LEU H H 1 8.946 0.001 . . . . . . A 178 LEU H . 26061 1 836 . 1 1 100 100 LEU HA H 1 4.905 0.001 . . . . . . A 178 LEU HA . 26061 1 837 . 1 1 100 100 LEU HB2 H 1 1.749 0.000 . . . . . . A 178 LEU HB2 . 26061 1 838 . 1 1 100 100 LEU HB3 H 1 0.854 0.000 . . . . . . A 178 LEU HB3 . 26061 1 839 . 1 1 100 100 LEU HG H 1 1.589 0.000 . . . . . . A 178 LEU HG . 26061 1 840 . 1 1 100 100 LEU HD11 H 1 0.828 0.000 . . . . . . A 178 LEU HD11 . 26061 1 841 . 1 1 100 100 LEU HD12 H 1 0.828 0.000 . . . . . . A 178 LEU HD12 . 26061 1 842 . 1 1 100 100 LEU HD13 H 1 0.828 0.000 . . . . . . A 178 LEU HD13 . 26061 1 843 . 1 1 100 100 LEU HD21 H 1 0.528 0.000 . . . . . . A 178 LEU HD21 . 26061 1 844 . 1 1 100 100 LEU HD22 H 1 0.528 0.000 . . . . . . A 178 LEU HD22 . 26061 1 845 . 1 1 100 100 LEU HD23 H 1 0.528 0.000 . . . . . . A 178 LEU HD23 . 26061 1 846 . 1 1 100 100 LEU C C 13 173.590 0.000 . . . . . . A 178 LEU C . 26061 1 847 . 1 1 100 100 LEU CA C 13 53.464 0.000 . . . . . . A 178 LEU CA . 26061 1 848 . 1 1 100 100 LEU CB C 13 43.936 0.000 . . . . . . A 178 LEU CB . 26061 1 849 . 1 1 100 100 LEU CG C 13 26.212 0.000 . . . . . . A 178 LEU CG . 26061 1 850 . 1 1 100 100 LEU CD1 C 13 23.472 0.000 . . . . . . A 178 LEU CD1 . 26061 1 851 . 1 1 100 100 LEU CD2 C 13 24.975 0.000 . . . . . . A 178 LEU CD2 . 26061 1 852 . 1 1 100 100 LEU N N 15 129.143 0.002 . . . . . . A 178 LEU N . 26061 1 853 . 1 1 101 101 LEU H H 1 8.664 0.000 . . . . . . A 179 LEU H . 26061 1 854 . 1 1 101 101 LEU HA H 1 4.721 0.000 . . . . . . A 179 LEU HA . 26061 1 855 . 1 1 101 101 LEU HB2 H 1 1.564 0.000 . . . . . . A 179 LEU HB2 . 26061 1 856 . 1 1 101 101 LEU HD11 H 1 0.873 0.000 . . . . . . A 179 LEU HD11 . 26061 1 857 . 1 1 101 101 LEU HD12 H 1 0.873 0.000 . . . . . . A 179 LEU HD12 . 26061 1 858 . 1 1 101 101 LEU HD13 H 1 0.873 0.000 . . . . . . A 179 LEU HD13 . 26061 1 859 . 1 1 101 101 LEU C C 13 176.082 0.000 . . . . . . A 179 LEU C . 26061 1 860 . 1 1 101 101 LEU CA C 13 53.465 0.000 . . . . . . A 179 LEU CA . 26061 1 861 . 1 1 101 101 LEU CB C 13 40.973 0.000 . . . . . . A 179 LEU CB . 26061 1 862 . 1 1 101 101 LEU N N 15 127.853 0.000 . . . . . . A 179 LEU N . 26061 1 863 . 1 1 102 102 SER H H 1 8.430 0.001 . . . . . . A 180 SER H . 26061 1 864 . 1 1 102 102 SER C C 13 173.905 0.000 . . . . . . A 180 SER C . 26061 1 865 . 1 1 102 102 SER CA C 13 56.727 0.000 . . . . . . A 180 SER CA . 26061 1 866 . 1 1 102 102 SER CB C 13 64.086 0.000 . . . . . . A 180 SER CB . 26061 1 867 . 1 1 102 102 SER N N 15 118.766 0.000 . . . . . . A 180 SER N . 26061 1 868 . 1 1 103 103 GLY HA2 H 1 3.945 0.000 . . . . . . A 181 GLY HA2 . 26061 1 869 . 1 1 103 103 GLY HA3 H 1 3.653 0.000 . . . . . . A 181 GLY HA3 . 26061 1 870 . 1 1 103 103 GLY C C 13 173.975 0.000 . . . . . . A 181 GLY C . 26061 1 871 . 1 1 103 103 GLY CA C 13 46.084 0.000 . . . . . . A 181 GLY CA . 26061 1 872 . 1 1 104 104 LEU H H 1 7.555 0.001 . . . . . . A 182 LEU H . 26061 1 873 . 1 1 104 104 LEU HA H 1 4.531 0.000 . . . . . . A 182 LEU HA . 26061 1 874 . 1 1 104 104 LEU HB2 H 1 1.406 0.000 . . . . . . A 182 LEU HB2 . 26061 1 875 . 1 1 104 104 LEU HB3 H 1 1.485 0.000 . . . . . . A 182 LEU HB3 . 26061 1 876 . 1 1 104 104 LEU HD11 H 1 0.603 0.000 . . . . . . A 182 LEU HD11 . 26061 1 877 . 1 1 104 104 LEU HD12 H 1 0.603 0.000 . . . . . . A 182 LEU HD12 . 26061 1 878 . 1 1 104 104 LEU HD13 H 1 0.603 0.000 . . . . . . A 182 LEU HD13 . 26061 1 879 . 1 1 104 104 LEU C C 13 176.673 0.000 . . . . . . A 182 LEU C . 26061 1 880 . 1 1 104 104 LEU CA C 13 53.432 0.000 . . . . . . A 182 LEU CA . 26061 1 881 . 1 1 104 104 LEU CB C 13 45.065 0.000 . . . . . . A 182 LEU CB . 26061 1 882 . 1 1 104 104 LEU N N 15 118.541 0.027 . . . . . . A 182 LEU N . 26061 1 883 . 1 1 107 107 ALA HA H 1 3.977 0.006 . . . . . . A 185 ALA HA . 26061 1 884 . 1 1 107 107 ALA HB1 H 1 1.238 0.000 . . . . . . A 185 ALA HB1 . 26061 1 885 . 1 1 107 107 ALA HB2 H 1 1.238 0.000 . . . . . . A 185 ALA HB2 . 26061 1 886 . 1 1 107 107 ALA HB3 H 1 1.238 0.000 . . . . . . A 185 ALA HB3 . 26061 1 887 . 1 1 107 107 ALA C C 13 177.699 0.000 . . . . . . A 185 ALA C . 26061 1 888 . 1 1 107 107 ALA CA C 13 53.599 0.000 . . . . . . A 185 ALA CA . 26061 1 889 . 1 1 107 107 ALA CB C 13 18.299 0.000 . . . . . . A 185 ALA CB . 26061 1 890 . 1 1 108 108 ALA H H 1 7.671 0.000 . . . . . . A 186 ALA H . 26061 1 891 . 1 1 108 108 ALA HA H 1 4.305 0.000 . . . . . . A 186 ALA HA . 26061 1 892 . 1 1 108 108 ALA HB1 H 1 1.363 0.001 . . . . . . A 186 ALA HB1 . 26061 1 893 . 1 1 108 108 ALA HB2 H 1 1.363 0.001 . . . . . . A 186 ALA HB2 . 26061 1 894 . 1 1 108 108 ALA HB3 H 1 1.363 0.001 . . . . . . A 186 ALA HB3 . 26061 1 895 . 1 1 108 108 ALA C C 13 176.907 0.000 . . . . . . A 186 ALA C . 26061 1 896 . 1 1 108 108 ALA CA C 13 51.046 0.000 . . . . . . A 186 ALA CA . 26061 1 897 . 1 1 108 108 ALA CB C 13 19.892 0.000 . . . . . . A 186 ALA CB . 26061 1 898 . 1 1 108 108 ALA N N 15 119.520 0.000 . . . . . . A 186 ALA N . 26061 1 899 . 1 1 109 109 TYR H H 1 7.379 0.000 . . . . . . A 187 TYR H . 26061 1 900 . 1 1 109 109 TYR HA H 1 4.247 0.000 . . . . . . A 187 TYR HA . 26061 1 901 . 1 1 109 109 TYR HB2 H 1 2.549 0.000 . . . . . . A 187 TYR HB2 . 26061 1 902 . 1 1 109 109 TYR HB3 H 1 2.868 0.000 . . . . . . A 187 TYR HB3 . 26061 1 903 . 1 1 109 109 TYR HD1 H 1 6.667 0.000 . . . . . . A 187 TYR HD1 . 26061 1 904 . 1 1 109 109 TYR HD2 H 1 6.667 0.000 . . . . . . A 187 TYR HD2 . 26061 1 905 . 1 1 109 109 TYR HE1 H 1 6.416 0.000 . . . . . . A 187 TYR HE1 . 26061 1 906 . 1 1 109 109 TYR HE2 H 1 6.416 0.000 . . . . . . A 187 TYR HE2 . 26061 1 907 . 1 1 109 109 TYR C C 13 174.557 0.000 . . . . . . A 187 TYR C . 26061 1 908 . 1 1 109 109 TYR CA C 13 54.891 0.000 . . . . . . A 187 TYR CA . 26061 1 909 . 1 1 109 109 TYR CB C 13 35.746 0.000 . . . . . . A 187 TYR CB . 26061 1 910 . 1 1 109 109 TYR CD1 C 13 131.548 0.000 . . . . . . A 187 TYR CD1 . 26061 1 911 . 1 1 109 109 TYR CE1 C 13 117.962 0.000 . . . . . . A 187 TYR CE1 . 26061 1 912 . 1 1 109 109 TYR N N 15 120.874 0.000 . . . . . . A 187 TYR N . 26061 1 913 . 1 1 111 111 PRO HA H 1 4.131 0.001 . . . . . . A 189 PRO HA . 26061 1 914 . 1 1 111 111 PRO HB2 H 1 2.233 0.001 . . . . . . A 189 PRO HB2 . 26061 1 915 . 1 1 111 111 PRO HB3 H 1 1.848 0.000 . . . . . . A 189 PRO HB3 . 26061 1 916 . 1 1 111 111 PRO HG2 H 1 1.985 0.001 . . . . . . A 189 PRO HG2 . 26061 1 917 . 1 1 111 111 PRO HG3 H 1 1.885 0.000 . . . . . . A 189 PRO HG3 . 26061 1 918 . 1 1 111 111 PRO HD2 H 1 3.772 0.000 . . . . . . A 189 PRO HD2 . 26061 1 919 . 1 1 111 111 PRO HD3 H 1 3.588 0.000 . . . . . . A 189 PRO HD3 . 26061 1 920 . 1 1 111 111 PRO C C 13 178.528 0.000 . . . . . . A 189 PRO C . 26061 1 921 . 1 1 111 111 PRO CA C 13 64.545 0.000 . . . . . . A 189 PRO CA . 26061 1 922 . 1 1 111 111 PRO CB C 13 31.717 0.000 . . . . . . A 189 PRO CB . 26061 1 923 . 1 1 111 111 PRO CG C 13 27.595 0.000 . . . . . . A 189 PRO CG . 26061 1 924 . 1 1 111 111 PRO CD C 13 51.037 0.000 . . . . . . A 189 PRO CD . 26061 1 925 . 1 1 112 112 GLU H H 1 9.758 0.001 . . . . . . A 190 GLU H . 26061 1 926 . 1 1 112 112 GLU HA H 1 3.882 0.000 . . . . . . A 190 GLU HA . 26061 1 927 . 1 1 112 112 GLU HB2 H 1 1.940 0.000 . . . . . . A 190 GLU HB2 . 26061 1 928 . 1 1 112 112 GLU HB3 H 1 2.080 0.000 . . . . . . A 190 GLU HB3 . 26061 1 929 . 1 1 112 112 GLU HG2 H 1 2.510 0.000 . . . . . . A 190 GLU HG2 . 26061 1 930 . 1 1 112 112 GLU HG3 H 1 2.254 0.000 . . . . . . A 190 GLU HG3 . 26061 1 931 . 1 1 112 112 GLU C C 13 177.232 0.000 . . . . . . A 190 GLU C . 26061 1 932 . 1 1 112 112 GLU CA C 13 59.673 0.001 . . . . . . A 190 GLU CA . 26061 1 933 . 1 1 112 112 GLU CB C 13 28.524 0.001 . . . . . . A 190 GLU CB . 26061 1 934 . 1 1 112 112 GLU CG C 13 37.279 0.000 . . . . . . A 190 GLU CG . 26061 1 935 . 1 1 112 112 GLU N N 15 118.023 0.000 . . . . . . A 190 GLU N . 26061 1 936 . 1 1 113 113 LEU H H 1 7.354 0.000 . . . . . . A 191 LEU H . 26061 1 937 . 1 1 113 113 LEU HA H 1 4.100 0.000 . . . . . . A 191 LEU HA . 26061 1 938 . 1 1 113 113 LEU HB2 H 1 1.451 0.000 . . . . . . A 191 LEU HB2 . 26061 1 939 . 1 1 113 113 LEU HB3 H 1 1.294 0.000 . . . . . . A 191 LEU HB3 . 26061 1 940 . 1 1 113 113 LEU HD11 H 1 0.504 0.000 . . . . . . A 191 LEU HD11 . 26061 1 941 . 1 1 113 113 LEU HD12 H 1 0.504 0.000 . . . . . . A 191 LEU HD12 . 26061 1 942 . 1 1 113 113 LEU HD13 H 1 0.504 0.000 . . . . . . A 191 LEU HD13 . 26061 1 943 . 1 1 113 113 LEU HD21 H 1 0.365 0.000 . . . . . . A 191 LEU HD21 . 26061 1 944 . 1 1 113 113 LEU HD22 H 1 0.365 0.000 . . . . . . A 191 LEU HD22 . 26061 1 945 . 1 1 113 113 LEU HD23 H 1 0.365 0.000 . . . . . . A 191 LEU HD23 . 26061 1 946 . 1 1 113 113 LEU CA C 13 55.026 0.000 . . . . . . A 191 LEU CA . 26061 1 947 . 1 1 113 113 LEU CB C 13 41.311 0.000 . . . . . . A 191 LEU CB . 26061 1 948 . 1 1 113 113 LEU CD1 C 13 23.599 0.000 . . . . . . A 191 LEU CD1 . 26061 1 949 . 1 1 113 113 LEU CD2 C 13 26.018 0.000 . . . . . . A 191 LEU CD2 . 26061 1 950 . 1 1 113 113 LEU N N 15 115.896 0.000 . . . . . . A 191 LEU N . 26061 1 951 . 1 1 119 119 VAL HB H 1 1.036 0.000 . . . . . . A 197 VAL HB . 26061 1 952 . 1 1 119 119 VAL HG11 H 1 0.084 0.000 . . . . . . A 197 VAL HG11 . 26061 1 953 . 1 1 119 119 VAL HG12 H 1 0.084 0.000 . . . . . . A 197 VAL HG12 . 26061 1 954 . 1 1 119 119 VAL HG13 H 1 0.084 0.000 . . . . . . A 197 VAL HG13 . 26061 1 955 . 1 1 119 119 VAL HG21 H 1 -0.130 0.000 . . . . . . A 197 VAL HG21 . 26061 1 956 . 1 1 119 119 VAL HG22 H 1 -0.130 0.000 . . . . . . A 197 VAL HG22 . 26061 1 957 . 1 1 119 119 VAL HG23 H 1 -0.130 0.000 . . . . . . A 197 VAL HG23 . 26061 1 958 . 1 1 119 119 VAL CB C 13 27.462 0.000 . . . . . . A 197 VAL CB . 26061 1 959 . 1 1 119 119 VAL CG1 C 13 23.648 0.000 . . . . . . A 197 VAL CG1 . 26061 1 960 . 1 1 119 119 VAL CG2 C 13 24.679 0.000 . . . . . . A 197 VAL CG2 . 26061 1 961 . 1 1 120 120 ASP HA H 1 4.646 0.001 . . . . . . A 198 ASP HA . 26061 1 962 . 1 1 120 120 ASP HB2 H 1 2.985 0.016 . . . . . . A 198 ASP HB2 . 26061 1 963 . 1 1 120 120 ASP HB3 H 1 2.604 0.000 . . . . . . A 198 ASP HB3 . 26061 1 964 . 1 1 120 120 ASP C C 13 176.459 0.000 . . . . . . A 198 ASP C . 26061 1 965 . 1 1 120 120 ASP CA C 13 53.739 0.000 . . . . . . A 198 ASP CA . 26061 1 966 . 1 1 120 120 ASP CB C 13 41.627 0.000 . . . . . . A 198 ASP CB . 26061 1 967 . 1 1 121 121 GLY H H 1 8.716 0.000 . . . . . . A 199 GLY H . 26061 1 968 . 1 1 121 121 GLY HA2 H 1 3.815 0.000 . . . . . . A 199 GLY HA2 . 26061 1 969 . 1 1 121 121 GLY HA3 H 1 3.509 0.009 . . . . . . A 199 GLY HA3 . 26061 1 970 . 1 1 121 121 GLY C C 13 174.025 0.000 . . . . . . A 199 GLY C . 26061 1 971 . 1 1 121 121 GLY CA C 13 46.239 0.000 . . . . . . A 199 GLY CA . 26061 1 972 . 1 1 121 121 GLY N N 15 115.611 0.000 . . . . . . A 199 GLY N . 26061 1 973 . 1 1 122 122 ARG H H 1 7.932 0.000 . . . . . . A 200 ARG H . 26061 1 974 . 1 1 122 122 ARG C C 13 176.960 0.000 . . . . . . A 200 ARG C . 26061 1 975 . 1 1 122 122 ARG CA C 13 56.513 0.000 . . . . . . A 200 ARG CA . 26061 1 976 . 1 1 122 122 ARG CB C 13 30.551 0.000 . . . . . . A 200 ARG CB . 26061 1 977 . 1 1 122 122 ARG N N 15 118.896 0.000 . . . . . . A 200 ARG N . 26061 1 978 . 1 1 125 125 ASP HA H 1 5.018 0.000 . . . . . . A 203 ASP HA . 26061 1 979 . 1 1 125 125 ASP HB2 H 1 2.773 0.000 . . . . . . A 203 ASP HB2 . 26061 1 980 . 1 1 125 125 ASP HB3 H 1 2.494 0.000 . . . . . . A 203 ASP HB3 . 26061 1 981 . 1 1 125 125 ASP C C 13 178.018 0.000 . . . . . . A 203 ASP C . 26061 1 982 . 1 1 125 125 ASP CA C 13 52.661 0.000 . . . . . . A 203 ASP CA . 26061 1 983 . 1 1 125 125 ASP CB C 13 40.582 0.000 . . . . . . A 203 ASP CB . 26061 1 984 . 1 1 126 126 GLY H H 1 7.933 0.000 . . . . . . A 204 GLY H . 26061 1 985 . 1 1 126 126 GLY HA2 H 1 3.795 0.000 . . . . . . A 204 GLY HA2 . 26061 1 986 . 1 1 126 126 GLY HA3 H 1 3.363 0.000 . . . . . . A 204 GLY HA3 . 26061 1 987 . 1 1 126 126 GLY C C 13 174.311 0.000 . . . . . . A 204 GLY C . 26061 1 988 . 1 1 126 126 GLY CA C 13 46.221 0.000 . . . . . . A 204 GLY CA . 26061 1 989 . 1 1 126 126 GLY N N 15 108.943 0.000 . . . . . . A 204 GLY N . 26061 1 990 . 1 1 127 127 GLY H H 1 7.590 0.000 . . . . . . A 205 GLY H . 26061 1 991 . 1 1 127 127 GLY HA2 H 1 4.088 0.000 . . . . . . A 205 GLY HA2 . 26061 1 992 . 1 1 127 127 GLY HA3 H 1 3.723 0.000 . . . . . . A 205 GLY HA3 . 26061 1 993 . 1 1 127 127 GLY C C 13 174.783 0.000 . . . . . . A 205 GLY C . 26061 1 994 . 1 1 127 127 GLY CA C 13 44.981 0.000 . . . . . . A 205 GLY CA . 26061 1 995 . 1 1 127 127 GLY N N 15 103.691 0.000 . . . . . . A 205 GLY N . 26061 1 996 . 1 1 128 128 PHE H H 1 7.433 0.004 . . . . . . A 206 PHE H . 26061 1 997 . 1 1 128 128 PHE C C 13 177.316 0.000 . . . . . . A 206 PHE C . 26061 1 998 . 1 1 128 128 PHE CA C 13 59.111 0.000 . . . . . . A 206 PHE CA . 26061 1 999 . 1 1 128 128 PHE CB C 13 34.454 0.000 . . . . . . A 206 PHE CB . 26061 1 1000 . 1 1 128 128 PHE N N 15 120.850 0.013 . . . . . . A 206 PHE N . 26061 1 1001 . 1 1 129 129 ARG HA H 1 4.271 0.000 . . . . . . A 207 ARG HA . 26061 1 1002 . 1 1 129 129 ARG HB3 H 1 1.885 0.000 . . . . . . A 207 ARG HB3 . 26061 1 1003 . 1 1 129 129 ARG HG2 H 1 1.562 0.000 . . . . . . A 207 ARG HG2 . 26061 1 1004 . 1 1 129 129 ARG HG3 H 1 1.618 0.000 . . . . . . A 207 ARG HG3 . 26061 1 1005 . 1 1 129 129 ARG HD2 H 1 3.144 0.000 . . . . . . A 207 ARG HD2 . 26061 1 1006 . 1 1 129 129 ARG HD3 H 1 3.194 0.000 . . . . . . A 207 ARG HD3 . 26061 1 1007 . 1 1 129 129 ARG CA C 13 60.279 0.000 . . . . . . A 207 ARG CA . 26061 1 1008 . 1 1 129 129 ARG CB C 13 29.384 0.000 . . . . . . A 207 ARG CB . 26061 1 1009 . 1 1 129 129 ARG CG C 13 27.349 0.000 . . . . . . A 207 ARG CG . 26061 1 1010 . 1 1 129 129 ARG CD C 13 43.793 0.000 . . . . . . A 207 ARG CD . 26061 1 1011 . 1 1 130 130 GLN H H 1 8.320 0.000 . . . . . . A 208 GLN H . 26061 1 1012 . 1 1 130 130 GLN HA H 1 4.036 0.000 . . . . . . A 208 GLN HA . 26061 1 1013 . 1 1 130 130 GLN HB2 H 1 2.110 0.000 . . . . . . A 208 GLN HB2 . 26061 1 1014 . 1 1 130 130 GLN HB3 H 1 2.040 0.000 . . . . . . A 208 GLN HB3 . 26061 1 1015 . 1 1 130 130 GLN HG2 H 1 2.156 0.000 . . . . . . A 208 GLN HG2 . 26061 1 1016 . 1 1 130 130 GLN HG3 H 1 2.280 0.000 . . . . . . A 208 GLN HG3 . 26061 1 1017 . 1 1 130 130 GLN C C 13 180.004 0.000 . . . . . . A 208 GLN C . 26061 1 1018 . 1 1 130 130 GLN CA C 13 59.330 0.002 . . . . . . A 208 GLN CA . 26061 1 1019 . 1 1 130 130 GLN CB C 13 29.516 0.005 . . . . . . A 208 GLN CB . 26061 1 1020 . 1 1 130 130 GLN CG C 13 36.795 0.001 . . . . . . A 208 GLN CG . 26061 1 1021 . 1 1 130 130 GLN N N 15 118.275 0.000 . . . . . . A 208 GLN N . 26061 1 1022 . 1 1 131 131 VAL H H 1 8.269 0.001 . . . . . . A 209 VAL H . 26061 1 1023 . 1 1 131 131 VAL HA H 1 3.528 0.000 . . . . . . A 209 VAL HA . 26061 1 1024 . 1 1 131 131 VAL HB H 1 2.261 0.000 . . . . . . A 209 VAL HB . 26061 1 1025 . 1 1 131 131 VAL HG11 H 1 1.016 0.000 . . . . . . A 209 VAL HG11 . 26061 1 1026 . 1 1 131 131 VAL HG12 H 1 1.016 0.000 . . . . . . A 209 VAL HG12 . 26061 1 1027 . 1 1 131 131 VAL HG13 H 1 1.016 0.000 . . . . . . A 209 VAL HG13 . 26061 1 1028 . 1 1 131 131 VAL HG21 H 1 0.812 0.000 . . . . . . A 209 VAL HG21 . 26061 1 1029 . 1 1 131 131 VAL HG22 H 1 0.812 0.000 . . . . . . A 209 VAL HG22 . 26061 1 1030 . 1 1 131 131 VAL HG23 H 1 0.812 0.000 . . . . . . A 209 VAL HG23 . 26061 1 1031 . 1 1 131 131 VAL C C 13 176.536 0.000 . . . . . . A 209 VAL C . 26061 1 1032 . 1 1 131 131 VAL CA C 13 67.469 0.000 . . . . . . A 209 VAL CA . 26061 1 1033 . 1 1 131 131 VAL CB C 13 31.019 0.000 . . . . . . A 209 VAL CB . 26061 1 1034 . 1 1 131 131 VAL CG1 C 13 24.659 0.000 . . . . . . A 209 VAL CG1 . 26061 1 1035 . 1 1 131 131 VAL CG2 C 13 24.659 0.000 . . . . . . A 209 VAL CG2 . 26061 1 1036 . 1 1 131 131 VAL N N 15 121.258 0.000 . . . . . . A 209 VAL N . 26061 1 1037 . 1 1 132 132 LYS H H 1 8.227 0.002 . . . . . . A 210 LYS H . 26061 1 1038 . 1 1 132 132 LYS HA H 1 3.503 0.000 . . . . . . A 210 LYS HA . 26061 1 1039 . 1 1 132 132 LYS HB2 H 1 1.705 0.004 . . . . . . A 210 LYS HB2 . 26061 1 1040 . 1 1 132 132 LYS HG2 H 1 1.313 0.000 . . . . . . A 210 LYS HG2 . 26061 1 1041 . 1 1 132 132 LYS HG3 H 1 1.453 0.000 . . . . . . A 210 LYS HG3 . 26061 1 1042 . 1 1 132 132 LYS HD2 H 1 1.711 0.000 . . . . . . A 210 LYS HD2 . 26061 1 1043 . 1 1 132 132 LYS HD3 H 1 1.578 0.000 . . . . . . A 210 LYS HD3 . 26061 1 1044 . 1 1 132 132 LYS HE2 H 1 2.866 0.000 . . . . . . A 210 LYS HE2 . 26061 1 1045 . 1 1 132 132 LYS HE3 H 1 3.024 0.000 . . . . . . A 210 LYS HE3 . 26061 1 1046 . 1 1 132 132 LYS C C 13 178.066 0.000 . . . . . . A 210 LYS C . 26061 1 1047 . 1 1 132 132 LYS CA C 13 61.018 0.000 . . . . . . A 210 LYS CA . 26061 1 1048 . 1 1 132 132 LYS CB C 13 32.018 0.000 . . . . . . A 210 LYS CB . 26061 1 1049 . 1 1 132 132 LYS CG C 13 24.719 0.000 . . . . . . A 210 LYS CG . 26061 1 1050 . 1 1 132 132 LYS CD C 13 30.942 0.001 . . . . . . A 210 LYS CD . 26061 1 1051 . 1 1 132 132 LYS CE C 13 42.274 0.001 . . . . . . A 210 LYS CE . 26061 1 1052 . 1 1 132 132 LYS N N 15 120.470 0.000 . . . . . . A 210 LYS N . 26061 1 1053 . 1 1 133 133 GLU H H 1 8.661 0.000 . . . . . . A 211 GLU H . 26061 1 1054 . 1 1 133 133 GLU HA H 1 3.892 0.005 . . . . . . A 211 GLU HA . 26061 1 1055 . 1 1 133 133 GLU HB2 H 1 1.970 0.003 . . . . . . A 211 GLU HB2 . 26061 1 1056 . 1 1 133 133 GLU HB3 H 1 2.029 0.000 . . . . . . A 211 GLU HB3 . 26061 1 1057 . 1 1 133 133 GLU HG2 H 1 2.467 0.000 . . . . . . A 211 GLU HG2 . 26061 1 1058 . 1 1 133 133 GLU HG3 H 1 2.535 0.000 . . . . . . A 211 GLU HG3 . 26061 1 1059 . 1 1 133 133 GLU C C 13 178.952 0.000 . . . . . . A 211 GLU C . 26061 1 1060 . 1 1 133 133 GLU CA C 13 59.375 0.000 . . . . . . A 211 GLU CA . 26061 1 1061 . 1 1 133 133 GLU CB C 13 29.266 0.001 . . . . . . A 211 GLU CB . 26061 1 1062 . 1 1 133 133 GLU CG C 13 36.447 0.000 . . . . . . A 211 GLU CG . 26061 1 1063 . 1 1 133 133 GLU N N 15 117.072 0.000 . . . . . . A 211 GLU N . 26061 1 1064 . 1 1 134 134 ALA H H 1 8.037 0.000 . . . . . . A 212 ALA H . 26061 1 1065 . 1 1 134 134 ALA HA H 1 4.007 0.000 . . . . . . A 212 ALA HA . 26061 1 1066 . 1 1 134 134 ALA HB1 H 1 1.538 0.000 . . . . . . A 212 ALA HB1 . 26061 1 1067 . 1 1 134 134 ALA HB2 H 1 1.538 0.000 . . . . . . A 212 ALA HB2 . 26061 1 1068 . 1 1 134 134 ALA HB3 H 1 1.538 0.000 . . . . . . A 212 ALA HB3 . 26061 1 1069 . 1 1 134 134 ALA C C 13 180.717 0.000 . . . . . . A 212 ALA C . 26061 1 1070 . 1 1 134 134 ALA CA C 13 55.289 0.000 . . . . . . A 212 ALA CA . 26061 1 1071 . 1 1 134 134 ALA CB C 13 18.026 0.001 . . . . . . A 212 ALA CB . 26061 1 1072 . 1 1 134 134 ALA N N 15 123.215 0.000 . . . . . . A 212 ALA N . 26061 1 1073 . 1 1 135 135 VAL H H 1 8.302 0.000 . . . . . . A 213 VAL H . 26061 1 1074 . 1 1 135 135 VAL HA H 1 3.755 0.000 . . . . . . A 213 VAL HA . 26061 1 1075 . 1 1 135 135 VAL HB H 1 2.205 0.000 . . . . . . A 213 VAL HB . 26061 1 1076 . 1 1 135 135 VAL HG11 H 1 0.847 0.001 . . . . . . A 213 VAL HG11 . 26061 1 1077 . 1 1 135 135 VAL HG12 H 1 0.847 0.001 . . . . . . A 213 VAL HG12 . 26061 1 1078 . 1 1 135 135 VAL HG13 H 1 0.847 0.001 . . . . . . A 213 VAL HG13 . 26061 1 1079 . 1 1 135 135 VAL C C 13 178.113 0.000 . . . . . . A 213 VAL C . 26061 1 1080 . 1 1 135 135 VAL CA C 13 65.937 0.000 . . . . . . A 213 VAL CA . 26061 1 1081 . 1 1 135 135 VAL CB C 13 31.543 0.000 . . . . . . A 213 VAL CB . 26061 1 1082 . 1 1 135 135 VAL CG1 C 13 21.844 0.003 . . . . . . A 213 VAL CG1 . 26061 1 1083 . 1 1 135 135 VAL N N 15 121.109 0.000 . . . . . . A 213 VAL N . 26061 1 1084 . 1 1 136 136 MET H H 1 8.374 0.000 . . . . . . A 214 MET H . 26061 1 1085 . 1 1 136 136 MET HA H 1 4.050 0.000 . . . . . . A 214 MET HA . 26061 1 1086 . 1 1 136 136 MET HB2 H 1 2.017 0.000 . . . . . . A 214 MET HB2 . 26061 1 1087 . 1 1 136 136 MET HB3 H 1 2.072 0.000 . . . . . . A 214 MET HB3 . 26061 1 1088 . 1 1 136 136 MET HG2 H 1 2.682 0.000 . . . . . . A 214 MET HG2 . 26061 1 1089 . 1 1 136 136 MET HG3 H 1 2.539 0.000 . . . . . . A 214 MET HG3 . 26061 1 1090 . 1 1 136 136 MET HE1 H 1 1.892 0.000 . . . . . . A 214 MET HE1 . 26061 1 1091 . 1 1 136 136 MET HE2 H 1 1.892 0.000 . . . . . . A 214 MET HE2 . 26061 1 1092 . 1 1 136 136 MET HE3 H 1 1.892 0.000 . . . . . . A 214 MET HE3 . 26061 1 1093 . 1 1 136 136 MET C C 13 179.115 0.000 . . . . . . A 214 MET C . 26061 1 1094 . 1 1 136 136 MET CA C 13 58.016 0.000 . . . . . . A 214 MET CA . 26061 1 1095 . 1 1 136 136 MET CB C 13 30.286 0.001 . . . . . . A 214 MET CB . 26061 1 1096 . 1 1 136 136 MET CG C 13 31.641 0.001 . . . . . . A 214 MET CG . 26061 1 1097 . 1 1 136 136 MET N N 15 117.106 0.000 . . . . . . A 214 MET N . 26061 1 1098 . 1 1 137 137 ARG H H 1 8.214 0.000 . . . . . . A 215 ARG H . 26061 1 1099 . 1 1 137 137 ARG HA H 1 3.925 0.001 . . . . . . A 215 ARG HA . 26061 1 1100 . 1 1 137 137 ARG HB2 H 1 1.749 0.001 . . . . . . A 215 ARG HB2 . 26061 1 1101 . 1 1 137 137 ARG HB3 H 1 1.892 0.001 . . . . . . A 215 ARG HB3 . 26061 1 1102 . 1 1 137 137 ARG HG2 H 1 1.433 0.000 . . . . . . A 215 ARG HG2 . 26061 1 1103 . 1 1 137 137 ARG HG3 H 1 1.759 0.000 . . . . . . A 215 ARG HG3 . 26061 1 1104 . 1 1 137 137 ARG HD2 H 1 3.187 0.001 . . . . . . A 215 ARG HD2 . 26061 1 1105 . 1 1 137 137 ARG HD3 H 1 3.140 0.018 . . . . . . A 215 ARG HD3 . 26061 1 1106 . 1 1 137 137 ARG C C 13 178.995 0.000 . . . . . . A 215 ARG C . 26061 1 1107 . 1 1 137 137 ARG CA C 13 59.685 0.000 . . . . . . A 215 ARG CA . 26061 1 1108 . 1 1 137 137 ARG CB C 13 29.673 0.000 . . . . . . A 215 ARG CB . 26061 1 1109 . 1 1 137 137 ARG CG C 13 27.910 0.000 . . . . . . A 215 ARG CG . 26061 1 1110 . 1 1 137 137 ARG CD C 13 43.459 0.000 . . . . . . A 215 ARG CD . 26061 1 1111 . 1 1 137 137 ARG N N 15 119.366 0.000 . . . . . . A 215 ARG N . 26061 1 1112 . 1 1 138 138 TYR H H 1 7.561 0.000 . . . . . . A 216 TYR H . 26061 1 1113 . 1 1 138 138 TYR HA H 1 4.113 0.000 . . . . . . A 216 TYR HA . 26061 1 1114 . 1 1 138 138 TYR HB2 H 1 3.105 0.000 . . . . . . A 216 TYR HB2 . 26061 1 1115 . 1 1 138 138 TYR HB3 H 1 2.913 0.000 . . . . . . A 216 TYR HB3 . 26061 1 1116 . 1 1 138 138 TYR HD1 H 1 6.805 0.000 . . . . . . A 216 TYR HD1 . 26061 1 1117 . 1 1 138 138 TYR HD2 H 1 6.805 0.000 . . . . . . A 216 TYR HD2 . 26061 1 1118 . 1 1 138 138 TYR C C 13 179.316 0.000 . . . . . . A 216 TYR C . 26061 1 1119 . 1 1 138 138 TYR CA C 13 62.067 0.000 . . . . . . A 216 TYR CA . 26061 1 1120 . 1 1 138 138 TYR CB C 13 38.004 0.000 . . . . . . A 216 TYR CB . 26061 1 1121 . 1 1 138 138 TYR CD2 C 13 129.582 0.000 . . . . . . A 216 TYR CD2 . 26061 1 1122 . 1 1 138 138 TYR N N 15 119.622 0.000 . . . . . . A 216 TYR N . 26061 1 1123 . 1 1 139 139 LEU H H 1 8.656 0.000 . . . . . . A 217 LEU H . 26061 1 1124 . 1 1 139 139 LEU HA H 1 3.486 0.000 . . . . . . A 217 LEU HA . 26061 1 1125 . 1 1 139 139 LEU HB2 H 1 1.772 0.000 . . . . . . A 217 LEU HB2 . 26061 1 1126 . 1 1 139 139 LEU HB3 H 1 1.092 0.001 . . . . . . A 217 LEU HB3 . 26061 1 1127 . 1 1 139 139 LEU HD11 H 1 0.622 0.000 . . . . . . A 217 LEU HD11 . 26061 1 1128 . 1 1 139 139 LEU HD12 H 1 0.622 0.000 . . . . . . A 217 LEU HD12 . 26061 1 1129 . 1 1 139 139 LEU HD13 H 1 0.622 0.000 . . . . . . A 217 LEU HD13 . 26061 1 1130 . 1 1 139 139 LEU HD21 H 1 0.546 0.000 . . . . . . A 217 LEU HD21 . 26061 1 1131 . 1 1 139 139 LEU HD22 H 1 0.546 0.000 . . . . . . A 217 LEU HD22 . 26061 1 1132 . 1 1 139 139 LEU HD23 H 1 0.546 0.000 . . . . . . A 217 LEU HD23 . 26061 1 1133 . 1 1 139 139 LEU C C 13 179.705 0.000 . . . . . . A 217 LEU C . 26061 1 1134 . 1 1 139 139 LEU CA C 13 57.590 0.000 . . . . . . A 217 LEU CA . 26061 1 1135 . 1 1 139 139 LEU CB C 13 40.983 0.000 . . . . . . A 217 LEU CB . 26061 1 1136 . 1 1 139 139 LEU CD1 C 13 22.699 0.000 . . . . . . A 217 LEU CD1 . 26061 1 1137 . 1 1 139 139 LEU CD2 C 13 22.868 0.000 . . . . . . A 217 LEU CD2 . 26061 1 1138 . 1 1 139 139 LEU N N 15 119.966 0.000 . . . . . . A 217 LEU N . 26061 1 1139 . 1 1 140 140 GLN H H 1 7.808 0.000 . . . . . . A 218 GLN H . 26061 1 1140 . 1 1 140 140 GLN HA H 1 3.985 0.000 . . . . . . A 218 GLN HA . 26061 1 1141 . 1 1 140 140 GLN HB2 H 1 2.089 0.000 . . . . . . A 218 GLN HB2 . 26061 1 1142 . 1 1 140 140 GLN HB3 H 1 2.432 0.008 . . . . . . A 218 GLN HB3 . 26061 1 1143 . 1 1 140 140 GLN HG2 H 1 2.438 0.001 . . . . . . A 218 GLN HG2 . 26061 1 1144 . 1 1 140 140 GLN HE21 H 1 7.348 0.000 . . . . . . A 218 GLN HE21 . 26061 1 1145 . 1 1 140 140 GLN HE22 H 1 6.766 0.000 . . . . . . A 218 GLN HE22 . 26061 1 1146 . 1 1 140 140 GLN C C 13 177.092 0.000 . . . . . . A 218 GLN C . 26061 1 1147 . 1 1 140 140 GLN CA C 13 57.702 0.000 . . . . . . A 218 GLN CA . 26061 1 1148 . 1 1 140 140 GLN CB C 13 28.273 0.000 . . . . . . A 218 GLN CB . 26061 1 1149 . 1 1 140 140 GLN CG C 13 34.015 0.000 . . . . . . A 218 GLN CG . 26061 1 1150 . 1 1 140 140 GLN N N 15 117.026 0.000 . . . . . . A 218 GLN N . 26061 1 1151 . 1 1 140 140 GLN NE2 N 15 111.381 0.000 . . . . . . A 218 GLN NE2 . 26061 1 1152 . 1 1 141 141 THR H H 1 7.553 0.001 . . . . . . A 219 THR H . 26061 1 1153 . 1 1 141 141 THR HA H 1 4.180 0.000 . . . . . . A 219 THR HA . 26061 1 1154 . 1 1 141 141 THR HB H 1 4.186 0.000 . . . . . . A 219 THR HB . 26061 1 1155 . 1 1 141 141 THR HG21 H 1 1.221 0.000 . . . . . . A 219 THR HG21 . 26061 1 1156 . 1 1 141 141 THR HG22 H 1 1.221 0.000 . . . . . . A 219 THR HG22 . 26061 1 1157 . 1 1 141 141 THR HG23 H 1 1.221 0.000 . . . . . . A 219 THR HG23 . 26061 1 1158 . 1 1 141 141 THR C C 13 174.675 0.000 . . . . . . A 219 THR C . 26061 1 1159 . 1 1 141 141 THR CA C 13 62.634 0.000 . . . . . . A 219 THR CA . 26061 1 1160 . 1 1 141 141 THR CB C 13 69.779 0.000 . . . . . . A 219 THR CB . 26061 1 1161 . 1 1 141 141 THR CG2 C 13 21.017 0.000 . . . . . . A 219 THR CG2 . 26061 1 1162 . 1 1 141 141 THR N N 15 109.130 0.003 . . . . . . A 219 THR N . 26061 1 1163 . 1 1 142 142 LEU H H 1 6.886 0.000 . . . . . . A 220 LEU H . 26061 1 1164 . 1 1 142 142 LEU HA H 1 4.133 0.000 . . . . . . A 220 LEU HA . 26061 1 1165 . 1 1 142 142 LEU HB2 H 1 1.453 0.000 . . . . . . A 220 LEU HB2 . 26061 1 1166 . 1 1 142 142 LEU HB3 H 1 1.275 0.000 . . . . . . A 220 LEU HB3 . 26061 1 1167 . 1 1 142 142 LEU HG H 1 1.230 0.000 . . . . . . A 220 LEU HG . 26061 1 1168 . 1 1 142 142 LEU HD11 H 1 0.438 0.000 . . . . . . A 220 LEU HD11 . 26061 1 1169 . 1 1 142 142 LEU HD12 H 1 0.438 0.000 . . . . . . A 220 LEU HD12 . 26061 1 1170 . 1 1 142 142 LEU HD13 H 1 0.438 0.000 . . . . . . A 220 LEU HD13 . 26061 1 1171 . 1 1 142 142 LEU HD21 H 1 0.089 0.000 . . . . . . A 220 LEU HD21 . 26061 1 1172 . 1 1 142 142 LEU HD22 H 1 0.089 0.000 . . . . . . A 220 LEU HD22 . 26061 1 1173 . 1 1 142 142 LEU HD23 H 1 0.089 0.000 . . . . . . A 220 LEU HD23 . 26061 1 1174 . 1 1 142 142 LEU C C 13 176.562 0.000 . . . . . . A 220 LEU C . 26061 1 1175 . 1 1 142 142 LEU CA C 13 54.529 0.000 . . . . . . A 220 LEU CA . 26061 1 1176 . 1 1 142 142 LEU CB C 13 41.418 0.000 . . . . . . A 220 LEU CB . 26061 1 1177 . 1 1 142 142 LEU CG C 13 25.996 0.000 . . . . . . A 220 LEU CG . 26061 1 1178 . 1 1 142 142 LEU CD1 C 13 21.384 0.000 . . . . . . A 220 LEU CD1 . 26061 1 1179 . 1 1 142 142 LEU CD2 C 13 25.573 0.000 . . . . . . A 220 LEU CD2 . 26061 1 1180 . 1 1 142 142 LEU N N 15 121.510 0.008 . . . . . . A 220 LEU N . 26061 1 1181 . 1 1 143 143 SER H H 1 7.835 0.001 . . . . . . A 221 SER H . 26061 1 1182 . 1 1 143 143 SER C C 13 178.841 0.000 . . . . . . A 221 SER C . 26061 1 1183 . 1 1 143 143 SER CA C 13 60.014 0.000 . . . . . . A 221 SER CA . 26061 1 1184 . 1 1 143 143 SER CB C 13 64.872 0.000 . . . . . . A 221 SER CB . 26061 1 1185 . 1 1 143 143 SER N N 15 121.240 0.004 . . . . . . A 221 SER N . 26061 1 stop_ save_