data_53716 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53716 _Entry.Title ; 1H, 13C, and 15N backbone resonance assignments of the N-terminal intrinsically disordered region and folded domain of the prion protein segment 90-231 of Bank Vole (BV-PrPC) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-04-11 _Entry.Accession_date 2026-04-11 _Entry.Last_release_date 2026-04-13 _Entry.Original_release_date 2026-04-13 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; 1H, 13C, and 15N backbone resonance assignments of the N-terminal intrinsically disordered region and folded domain of the prion protein segment 90-231 of Bank Vole (BV-PrPC). ; _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Victor Sanchez-Pedregal . M. Sr. 0000-0003-1581-0455 53716 2 Manuel Martin-Pastor . . Sr. 0000-0001-6024-1656 53716 3 Jesus Requena . . Sr. 0000-0003-1954-4975 53716 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53716 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 306 53716 '15N chemical shifts' 137 53716 '1H chemical shifts' 665 53716 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 1 . . 2026-05-05 . original BMRB . 53716 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53716 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 2529837123 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N backbone resonance assignments of the N-terminal intrinsically disordered region and folded domain of the prion protein segment 90-231 of Bank Vole (BV-PrPC) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Victor Sanchez-Pedregal . M. Sr. 0000-0003-1581-0455 53716 1 2 Manuel Martin-Pastor . . Sr. 0000-0001-6024-1656 53716 1 3 Jesus Requena . . Sr. 0000-0003-1954-4975 53716 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53716 _Assembly.ID 1 _Assembly.Name 'Free Bank Vole Prion protein (90-231) natively folded' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Free Bank Vole Prion protein (90-231) natively folded' 1 $entity_1 . . yes native no no . . . 53716 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 91 91 SG . 1 . 1 CYS 126 126 SG . . . . . . . . . . . . 53716 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53716 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; HGQGGGTHNQWNKPSKPKTN IKHVAGAAAAGAVVGGLGGY MLGSAMSRPMIHFGNDWEDR YYRENMNRYPNQVYYRPVDQ YNNQNNFVHDCVNITIKQHT VTTTTKGENFTETDVKMMER VVEQMCVTQYQKESQAYYEG RSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '90 to 231' _Entity.Polymer_author_seq_details 'Bank Vole prion protein residues 90 to 231' _Entity.Ambiguous_conformational_states yes _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 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16259.05 _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 89 HIS . 53716 1 2 90 GLY . 53716 1 3 91 GLN . 53716 1 4 92 GLY . 53716 1 5 93 GLY . 53716 1 6 94 GLY . 53716 1 7 95 THR . 53716 1 8 96 HIS . 53716 1 9 97 ASN . 53716 1 10 98 GLN . 53716 1 11 99 TRP . 53716 1 12 100 ASN . 53716 1 13 101 LYS . 53716 1 14 102 PRO . 53716 1 15 103 SER . 53716 1 16 104 LYS . 53716 1 17 105 PRO . 53716 1 18 106 LYS . 53716 1 19 107 THR . 53716 1 20 108 ASN . 53716 1 21 109 ILE . 53716 1 22 110 LYS . 53716 1 23 111 HIS . 53716 1 24 112 VAL . 53716 1 25 113 ALA . 53716 1 26 114 GLY . 53716 1 27 115 ALA . 53716 1 28 116 ALA . 53716 1 29 117 ALA . 53716 1 30 118 ALA . 53716 1 31 119 GLY . 53716 1 32 120 ALA . 53716 1 33 121 VAL . 53716 1 34 122 VAL . 53716 1 35 123 GLY . 53716 1 36 124 GLY . 53716 1 37 125 LEU . 53716 1 38 126 GLY . 53716 1 39 127 GLY . 53716 1 40 128 TYR . 53716 1 41 129 MET . 53716 1 42 130 LEU . 53716 1 43 131 GLY . 53716 1 44 132 SER . 53716 1 45 133 ALA . 53716 1 46 134 MET . 53716 1 47 135 SER . 53716 1 48 136 ARG . 53716 1 49 137 PRO . 53716 1 50 138 MET . 53716 1 51 139 ILE . 53716 1 52 140 HIS . 53716 1 53 141 PHE . 53716 1 54 142 GLY . 53716 1 55 143 ASN . 53716 1 56 144 ASP . 53716 1 57 145 TRP . 53716 1 58 146 GLU . 53716 1 59 147 ASP . 53716 1 60 148 ARG . 53716 1 61 149 TYR . 53716 1 62 150 TYR . 53716 1 63 151 ARG . 53716 1 64 152 GLU . 53716 1 65 153 ASN . 53716 1 66 154 MET . 53716 1 67 155 ASN . 53716 1 68 156 ARG . 53716 1 69 157 TYR . 53716 1 70 158 PRO . 53716 1 71 159 ASN . 53716 1 72 160 GLN . 53716 1 73 161 VAL . 53716 1 74 162 TYR . 53716 1 75 163 TYR . 53716 1 76 164 ARG . 53716 1 77 165 PRO . 53716 1 78 166 VAL . 53716 1 79 167 ASP . 53716 1 80 168 GLN . 53716 1 81 169 TYR . 53716 1 82 170 ASN . 53716 1 83 171 ASN . 53716 1 84 172 GLN . 53716 1 85 173 ASN . 53716 1 86 174 ASN . 53716 1 87 175 PHE . 53716 1 88 176 VAL . 53716 1 89 177 HIS . 53716 1 90 178 ASP . 53716 1 91 179 CYS . 53716 1 92 180 VAL . 53716 1 93 181 ASN . 53716 1 94 182 ILE . 53716 1 95 183 THR . 53716 1 96 184 ILE . 53716 1 97 185 LYS . 53716 1 98 186 GLN . 53716 1 99 187 HIS . 53716 1 100 188 THR . 53716 1 101 189 VAL . 53716 1 102 190 THR . 53716 1 103 191 THR . 53716 1 104 192 THR . 53716 1 105 193 THR . 53716 1 106 194 LYS . 53716 1 107 195 GLY . 53716 1 108 196 GLU . 53716 1 109 197 ASN . 53716 1 110 198 PHE . 53716 1 111 199 THR . 53716 1 112 200 GLU . 53716 1 113 201 THR . 53716 1 114 202 ASP . 53716 1 115 203 VAL . 53716 1 116 204 LYS . 53716 1 117 205 MET . 53716 1 118 206 MET . 53716 1 119 207 GLU . 53716 1 120 208 ARG . 53716 1 121 209 VAL . 53716 1 122 210 VAL . 53716 1 123 211 GLU . 53716 1 124 212 GLN . 53716 1 125 213 MET . 53716 1 126 214 CYS . 53716 1 127 215 VAL . 53716 1 128 216 THR . 53716 1 129 217 GLN . 53716 1 130 218 TYR . 53716 1 131 219 GLN . 53716 1 132 220 LYS . 53716 1 133 221 GLU . 53716 1 134 222 SER . 53716 1 135 223 GLN . 53716 1 136 224 ALA . 53716 1 137 225 TYR . 53716 1 138 226 TYR . 53716 1 139 227 GLU . 53716 1 140 228 GLY . 53716 1 141 229 ARG . 53716 1 142 230 SER . 53716 1 143 231 SER . 53716 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 . HIS 1 1 53716 1 . GLY 2 2 53716 1 . GLN 3 3 53716 1 . GLY 4 4 53716 1 . GLY 5 5 53716 1 . GLY 6 6 53716 1 . THR 7 7 53716 1 . HIS 8 8 53716 1 . ASN 9 9 53716 1 . GLN 10 10 53716 1 . TRP 11 11 53716 1 . ASN 12 12 53716 1 . LYS 13 13 53716 1 . PRO 14 14 53716 1 . SER 15 15 53716 1 . LYS 16 16 53716 1 . PRO 17 17 53716 1 . LYS 18 18 53716 1 . THR 19 19 53716 1 . ASN 20 20 53716 1 . ILE 21 21 53716 1 . LYS 22 22 53716 1 . HIS 23 23 53716 1 . VAL 24 24 53716 1 . ALA 25 25 53716 1 . GLY 26 26 53716 1 . ALA 27 27 53716 1 . ALA 28 28 53716 1 . ALA 29 29 53716 1 . ALA 30 30 53716 1 . GLY 31 31 53716 1 . ALA 32 32 53716 1 . VAL 33 33 53716 1 . VAL 34 34 53716 1 . GLY 35 35 53716 1 . GLY 36 36 53716 1 . LEU 37 37 53716 1 . GLY 38 38 53716 1 . GLY 39 39 53716 1 . TYR 40 40 53716 1 . MET 41 41 53716 1 . LEU 42 42 53716 1 . GLY 43 43 53716 1 . SER 44 44 53716 1 . ALA 45 45 53716 1 . MET 46 46 53716 1 . SER 47 47 53716 1 . ARG 48 48 53716 1 . PRO 49 49 53716 1 . MET 50 50 53716 1 . ILE 51 51 53716 1 . HIS 52 52 53716 1 . PHE 53 53 53716 1 . GLY 54 54 53716 1 . ASN 55 55 53716 1 . ASP 56 56 53716 1 . TRP 57 57 53716 1 . GLU 58 58 53716 1 . ASP 59 59 53716 1 . ARG 60 60 53716 1 . TYR 61 61 53716 1 . TYR 62 62 53716 1 . ARG 63 63 53716 1 . GLU 64 64 53716 1 . ASN 65 65 53716 1 . MET 66 66 53716 1 . ASN 67 67 53716 1 . ARG 68 68 53716 1 . TYR 69 69 53716 1 . PRO 70 70 53716 1 . ASN 71 71 53716 1 . GLN 72 72 53716 1 . VAL 73 73 53716 1 . TYR 74 74 53716 1 . TYR 75 75 53716 1 . ARG 76 76 53716 1 . PRO 77 77 53716 1 . VAL 78 78 53716 1 . ASP 79 79 53716 1 . GLN 80 80 53716 1 . TYR 81 81 53716 1 . ASN 82 82 53716 1 . ASN 83 83 53716 1 . GLN 84 84 53716 1 . ASN 85 85 53716 1 . ASN 86 86 53716 1 . PHE 87 87 53716 1 . VAL 88 88 53716 1 . HIS 89 89 53716 1 . ASP 90 90 53716 1 . CYS 91 91 53716 1 . VAL 92 92 53716 1 . ASN 93 93 53716 1 . ILE 94 94 53716 1 . THR 95 95 53716 1 . ILE 96 96 53716 1 . LYS 97 97 53716 1 . GLN 98 98 53716 1 . HIS 99 99 53716 1 . THR 100 100 53716 1 . VAL 101 101 53716 1 . THR 102 102 53716 1 . THR 103 103 53716 1 . THR 104 104 53716 1 . THR 105 105 53716 1 . LYS 106 106 53716 1 . GLY 107 107 53716 1 . GLU 108 108 53716 1 . ASN 109 109 53716 1 . PHE 110 110 53716 1 . THR 111 111 53716 1 . GLU 112 112 53716 1 . THR 113 113 53716 1 . ASP 114 114 53716 1 . VAL 115 115 53716 1 . LYS 116 116 53716 1 . MET 117 117 53716 1 . MET 118 118 53716 1 . GLU 119 119 53716 1 . ARG 120 120 53716 1 . VAL 121 121 53716 1 . VAL 122 122 53716 1 . GLU 123 123 53716 1 . GLN 124 124 53716 1 . MET 125 125 53716 1 . CYS 126 126 53716 1 . VAL 127 127 53716 1 . THR 128 128 53716 1 . GLN 129 129 53716 1 . TYR 130 130 53716 1 . GLN 131 131 53716 1 . LYS 132 132 53716 1 . GLU 133 133 53716 1 . SER 134 134 53716 1 . GLN 135 135 53716 1 . ALA 136 136 53716 1 . TYR 137 137 53716 1 . TYR 138 138 53716 1 . GLU 139 139 53716 1 . GLY 140 140 53716 1 . ARG 141 141 53716 1 . SER 142 142 53716 1 . SER 143 143 53716 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 53716 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 447135 organism . 'Myodes glareolus' 'Bank vole' . . Eukaryota Metazoa Myodes glareolus . . . . . . . . . . . 'GenBank accession number PQ327920' 'Bank vole prion protein residues 90 to 231' 53716 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 53716 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Myodes glareolus' . . . Myodes glareolus . . . plasmid . . 'pOPIN E' . . . 53716 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53716 _Sample.ID 1 _Sample.Name 'BV-PrPc (90-231)' _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N,13C double labelled sample of the bank vole PrPc (90-231) protein . Conc. 6.5 mg/ml , pH 6.5 in acetate buffer' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Free Bank Vole Prion protein (90-231) natively folded' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 6.5 . . mg/mL 0.5 . . . 53716 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 53716 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Natively folded conditions in solution' _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' 0.005 0.0002 M 53716 1 pH 6.5 0.1 pH 53716 1 pressure 1 0.1 atm 53716 1 temperature 298 0.1 K 53716 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53716 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 3.3.4.1 _Software.DOI . _Software.Details ; Peak assignment was performed by comparison with data published by Christen et al. for BVPrPC(121-231) and deposited in the BMRB database with accession numbers 15824, 15845 The assignment carried out for BVPrPC(90-231) used the following set of protein NMR experiments: 2D 15N-HSQC, 3D HNCO, 3D best-HNCO, 3D best-HN(CO)CA, 3D HNCA, 3D best-HNCA, 3D best-intra-HNCA, 3D intra-HNCACB, 3D best-intra HNCACB, 3D best-HNCACO, 3D HNHA, 3D HNCAHA, 3D HCCH-TOCSY, 3D 15N TOCSY-HSQC, 3D 15N NOESY-HSQC 3D 13C NOESY-HSQC 3D 13C NOESY-HSQC ; loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53716 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 53716 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance NEO-750' _NMR_spectrometer.Details ; All NMR experiments were carried out in solution using a Bruker NEO 750 MHz spectrometer equipped with a PA-TXI-HFCN (1H-19F/13C/15N) room temperature probe with an automated tuning and matching system, and temperature control for VT. The spectrometer control software was TopSpin 4.3.x. ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53716 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53716 1 2 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53716 1 3 '3D HN(CO)CA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53716 1 4 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53716 1 5 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53716 1 6 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53716 1 7 '3D HCCH-TOCSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53716 1 8 '3D 15N-separated NOESY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53716 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 53716 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'BV-PrPC (90-231)' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.251449530 . . . . . 53716 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 53716 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . . . 53716 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 53716 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name myChemicalShiftList _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.01 _Assigned_chem_shift_list.Chem_shift_15N_err 0.01 _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 'signal linewidth in 2D or 3D spectra' _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 53716 1 2 '3D HNCA' . . . 53716 1 3 '3D HN(CO)CA' . . . 53716 1 4 '3D HNCO' . . . 53716 1 5 '3D HNCACB' . . . 53716 1 6 '3D HN(CA)CO' . . . 53716 1 7 '3D HCCH-TOCSY' . . . 53716 1 8 '3D 15N-separated NOESY' . . . 53716 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53716 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 HIS C C 13 174.4183502 0.01 . . . . . . . 89 HIS C . 53716 1 2 . 1 . 1 2 2 GLY H H 1 7.900836425 0.01 . . . . . . . 90 GLY H . 53716 1 3 . 1 . 1 2 2 GLY HA2 H 1 3.842683503 0.01 . . . . . . . 90 GLY HA . 53716 1 4 . 1 . 1 2 2 GLY HA3 H 1 3.842683503 0.01 . . . . . . . 90 GLY HA . 53716 1 5 . 1 . 1 2 2 GLY C C 13 171.5296326 0.01 . . . . . . . 90 GLY C . 53716 1 6 . 1 . 1 2 2 GLY CA C 13 45.16212807 0.01 . . . . . . . 90 GLY CA . 53716 1 7 . 1 . 1 2 2 GLY N N 15 108.5785647 0.01 . . . . . . . 90 GLY N . 53716 1 8 . 1 . 1 3 3 GLN H H 1 8.304293169 0.01 . . . . . . . 91 GLN H . 53716 1 9 . 1 . 1 3 3 GLN HA H 1 4.68724954 0.01 . . . . . . . 91 GLN HA . 53716 1 10 . 1 . 1 3 3 GLN HB2 H 1 1.87126255 0.01 . . . . . . . 91 GLN HB2 . 53716 1 11 . 1 . 1 3 3 GLN HB3 H 1 1.976428942 0.01 . . . . . . . 91 GLN HB3 . 53716 1 12 . 1 . 1 3 3 GLN CA C 13 55.91641631 0.01 . . . . . . . 91 GLN CA . 53716 1 13 . 1 . 1 3 3 GLN CB C 13 29.43357826 0.01 . . . . . . . 91 GLN CB . 53716 1 14 . 1 . 1 3 3 GLN N N 15 119.9520312 0.01 . . . . . . . 91 GLN N . 53716 1 15 . 1 . 1 4 4 GLY H H 1 8.49459045 0.01 . . . . . . . 92 GLY H . 53716 1 16 . 1 . 1 4 4 GLY HA2 H 1 3.896992005 0.01 . . . . . . . 92 GLY HA . 53716 1 17 . 1 . 1 4 4 GLY HA3 H 1 3.896992005 0.01 . . . . . . . 92 GLY HA . 53716 1 18 . 1 . 1 4 4 GLY C C 13 172.4016886 0.01 . . . . . . . 92 GLY C . 53716 1 19 . 1 . 1 4 4 GLY CA C 13 45.19745743 0.01 . . . . . . . 92 GLY CA . 53716 1 20 . 1 . 1 4 4 GLY N N 15 110.364936 0.01 . . . . . . . 92 GLY N . 53716 1 21 . 1 . 1 5 5 GLY H H 1 8.422196606 0.01 . . . . . . . 93 GLY H . 53716 1 22 . 1 . 1 5 5 GLY HA2 H 1 3.834655465 0.01 . . . . . . . 93 GLY HA . 53716 1 23 . 1 . 1 5 5 GLY HA3 H 1 3.834655465 0.01 . . . . . . . 93 GLY HA . 53716 1 24 . 1 . 1 5 5 GLY C C 13 171.2760672 0.01 . . . . . . . 93 GLY C . 53716 1 25 . 1 . 1 5 5 GLY CA C 13 45.07067599 0.01 . . . . . . . 93 GLY CA . 53716 1 26 . 1 . 1 5 5 GLY N N 15 110.5880476 0.01 . . . . . . . 93 GLY N . 53716 1 27 . 1 . 1 6 6 GLY H H 1 8.282758415 0.01 . . . . . . . 94 GLY H . 53716 1 28 . 1 . 1 6 6 GLY HA2 H 1 3.888962881 0.01 . . . . . . . 94 GLY HA . 53716 1 29 . 1 . 1 6 6 GLY HA3 H 1 3.888962881 0.01 . . . . . . . 94 GLY HA . 53716 1 30 . 1 . 1 6 6 GLY C C 13 171.7468757 0.01 . . . . . . . 94 GLY C . 53716 1 31 . 1 . 1 6 6 GLY CA C 13 45.14610671 0.01 . . . . . . . 94 GLY CA . 53716 1 32 . 1 . 1 6 6 GLY N N 15 108.5860877 0.01 . . . . . . . 94 GLY N . 53716 1 33 . 1 . 1 7 7 THR H H 1 8.027089537 0.01 . . . . . . . 95 THR H . 53716 1 34 . 1 . 1 7 7 THR HA H 1 4.654623154 0.01 . . . . . . . 95 THR HA . 53716 1 35 . 1 . 1 7 7 THR HB H 1 4.080219657 0.01 . . . . . . . 95 THR HB . 53716 1 36 . 1 . 1 7 7 THR C C 13 171.953543 0.01 . . . . . . . 95 THR C . 53716 1 37 . 1 . 1 7 7 THR CA C 13 61.90919814 0.01 . . . . . . . 95 THR CA . 53716 1 38 . 1 . 1 7 7 THR CB C 13 69.85971136 0.01 . . . . . . . 95 THR CB . 53716 1 39 . 1 . 1 7 7 THR N N 15 113.1460552 0.01 . . . . . . . 95 THR N . 53716 1 40 . 1 . 1 8 8 HIS H H 1 6.481526143 0.01 . . . . . . . 96 HIS H . 53716 1 41 . 1 . 1 8 8 HIS N N 15 119.5501578 0.01 . . . . . . . 96 HIS N . 53716 1 42 . 1 . 1 9 9 ASN H H 1 7.205881688 0.01 . . . . . . . 97 ASN H . 53716 1 43 . 1 . 1 9 9 ASN HA H 1 4.675825119 0.01 . . . . . . . 97 ASN HA . 53716 1 44 . 1 . 1 9 9 ASN HB2 H 1 3.061252117 0.01 . . . . . . . 97 ASN HB2 . 53716 1 45 . 1 . 1 9 9 ASN N N 15 118.3513016 0.01 . . . . . . . 97 ASN N . 53716 1 46 . 1 . 1 10 10 GLN H H 1 7.370061528 0.01 . . . . . . . 98 GLN H . 53716 1 47 . 1 . 1 10 10 GLN N N 15 119.8997449 0.01 . . . . . . . 98 GLN N . 53716 1 48 . 1 . 1 11 11 TRP H H 1 7.368330104 0.01 . . . . . . . 99 TRP H . 53716 1 49 . 1 . 1 11 11 TRP CA C 13 55.96814947 0.01 . . . . . . . 99 TRP CA . 53716 1 50 . 1 . 1 11 11 TRP N N 15 120.1627215 0.01 . . . . . . . 99 TRP N . 53716 1 51 . 1 . 1 12 12 ASN H H 1 7.911330394 0.01 . . . . . . . 100 ASN H . 53716 1 52 . 1 . 1 12 12 ASN HA H 1 4.699742106 0.01 . . . . . . . 100 ASN HA . 53716 1 53 . 1 . 1 12 12 ASN HB2 H 1 2.752153158 0.01 . . . . . . . 100 ASN HB2 . 53716 1 54 . 1 . 1 12 12 ASN CA C 13 53.65673137 0.01 . . . . . . . 100 ASN CA . 53716 1 55 . 1 . 1 12 12 ASN CB C 13 38.7097909 0.01 . . . . . . . 100 ASN CB . 53716 1 56 . 1 . 1 12 12 ASN N N 15 120.3610727 0.01 . . . . . . . 100 ASN N . 53716 1 57 . 1 . 1 13 13 LYS H H 1 7.950343872 0.01 . . . . . . . 101 LYS H . 53716 1 58 . 1 . 1 13 13 LYS HA H 1 3.937148967 0.01 . . . . . . . 101 LYS HA . 53716 1 59 . 1 . 1 13 13 LYS CA C 13 54.10489646 0.01 . . . . . . . 101 LYS CA . 53716 1 60 . 1 . 1 13 13 LYS CB C 13 32.17413108 0.01 . . . . . . . 101 LYS CB . 53716 1 61 . 1 . 1 13 13 LYS N N 15 122.5478759 0.01 . . . . . . . 101 LYS N . 53716 1 62 . 1 . 1 14 14 PRO CA C 13 63.03071352 0.01 . . . . . . . 102 PRO CA . 53716 1 63 . 1 . 1 15 15 SER H H 1 8.340451057 0.01 . . . . . . . 103 SER H . 53716 1 64 . 1 . 1 15 15 SER HA H 1 4.326749805 0.01 . . . . . . . 103 SER HA . 53716 1 65 . 1 . 1 15 15 SER HB2 H 1 4.680222492 0.01 . . . . . . . 103 SER HB2 . 53716 1 66 . 1 . 1 15 15 SER C C 13 171.4246076 0.01 . . . . . . . 103 SER C . 53716 1 67 . 1 . 1 15 15 SER CA C 13 58.04560522 0.01 . . . . . . . 103 SER CA . 53716 1 68 . 1 . 1 15 15 SER CB C 13 64.15118022 0.01 . . . . . . . 103 SER CB . 53716 1 69 . 1 . 1 15 15 SER N N 15 116.6835896 0.01 . . . . . . . 103 SER N . 53716 1 70 . 1 . 1 16 16 LYS H H 1 8.245413373 0.01 . . . . . . . 104 LYS H . 53716 1 71 . 1 . 1 16 16 LYS HA H 1 4.544373028 0.01 . . . . . . . 104 LYS HA . 53716 1 72 . 1 . 1 16 16 LYS N N 15 124.0700766 0.01 . . . . . . . 104 LYS N . 53716 1 73 . 1 . 1 18 18 LYS H H 1 8.424866651 0.01 . . . . . . . 106 LYS H . 53716 1 74 . 1 . 1 18 18 LYS HA H 1 4.222066506 0.01 . . . . . . . 106 LYS HA . 53716 1 75 . 1 . 1 18 18 LYS HB2 H 1 1.787549973 0.01 . . . . . . . 106 LYS HB2 . 53716 1 76 . 1 . 1 18 18 LYS CA C 13 56.35595332 0.01 . . . . . . . 106 LYS CA . 53716 1 77 . 1 . 1 18 18 LYS N N 15 122.0011041 0.01 . . . . . . . 106 LYS N . 53716 1 78 . 1 . 1 19 19 THR H H 1 8.06888195 0.01 . . . . . . . 107 THR H . 53716 1 79 . 1 . 1 19 19 THR HA H 1 4.674780439 0.01 . . . . . . . 107 THR HA . 53716 1 80 . 1 . 1 19 19 THR HB H 1 4.139853477 0.01 . . . . . . . 107 THR HB . 53716 1 81 . 1 . 1 19 19 THR HG1 H 1 4.923596797 0.01 . . . . . . . 107 THR HG1 . 53716 1 82 . 1 . 1 19 19 THR CA C 13 61.49166884 0.01 . . . . . . . 107 THR CA . 53716 1 83 . 1 . 1 19 19 THR N N 15 115.1637184 0.01 . . . . . . . 107 THR N . 53716 1 84 . 1 . 1 20 20 ASN H H 1 8.475145491 0.01 . . . . . . . 108 ASN H . 53716 1 85 . 1 . 1 20 20 ASN HA H 1 4.6808379 0.01 . . . . . . . 108 ASN HA . 53716 1 86 . 1 . 1 20 20 ASN HB2 H 1 2.693675652 0.01 . . . . . . . 108 ASN HB . 53716 1 87 . 1 . 1 20 20 ASN HB3 H 1 2.693675652 0.01 . . . . . . . 108 ASN HB . 53716 1 88 . 1 . 1 20 20 ASN HD21 H 1 8.01107442 0.01 . . . . . . . 108 ASN HD21 . 53716 1 89 . 1 . 1 20 20 ASN CA C 13 53.07783982 0.01 . . . . . . . 108 ASN CA . 53716 1 90 . 1 . 1 20 20 ASN CB C 13 38.90599029 0.01 . . . . . . . 108 ASN CB . 53716 1 91 . 1 . 1 20 20 ASN N N 15 121.6582341 0.01 . . . . . . . 108 ASN N . 53716 1 92 . 1 . 1 21 21 ILE H H 1 8.140969168 0.01 . . . . . . . 109 ILE H . 53716 1 93 . 1 . 1 21 21 ILE CA C 13 60.17856949 0.01 . . . . . . . 109 ILE CA . 53716 1 94 . 1 . 1 21 21 ILE CG2 C 13 20.92623247 0.01 . . . . . . . 109 ILE CG2 . 53716 1 95 . 1 . 1 21 21 ILE CD1 C 13 15.12524764 0.01 . . . . . . . 109 ILE CD1 . 53716 1 96 . 1 . 1 21 21 ILE N N 15 123.274206 0.01 . . . . . . . 109 ILE N . 53716 1 97 . 1 . 1 22 22 LYS H H 1 8.035745634 0.01 . . . . . . . 110 LYS H . 53716 1 98 . 1 . 1 22 22 LYS HA H 1 3.880216436 0.01 . . . . . . . 110 LYS HA . 53716 1 99 . 1 . 1 22 22 LYS HB2 H 1 2.137663567 0.01 . . . . . . . 110 LYS HB . 53716 1 100 . 1 . 1 22 22 LYS HB3 H 1 2.137663567 0.01 . . . . . . . 110 LYS HB . 53716 1 101 . 1 . 1 22 22 LYS HD2 H 1 1.54597497 0.01 . . . . . . . 110 LYS HD . 53716 1 102 . 1 . 1 22 22 LYS HD3 H 1 1.54597497 0.01 . . . . . . . 110 LYS HD . 53716 1 103 . 1 . 1 22 22 LYS CA C 13 57.02666213 0.01 . . . . . . . 110 LYS CA . 53716 1 104 . 1 . 1 22 22 LYS CB C 13 32.78505727 0.01 . . . . . . . 110 LYS CB . 53716 1 105 . 1 . 1 22 22 LYS N N 15 121.4920051 0.01 . . . . . . . 110 LYS N . 53716 1 106 . 1 . 1 23 23 HIS H H 1 8.442724621 0.01 . . . . . . . 111 HIS H . 53716 1 107 . 1 . 1 23 23 HIS HA H 1 4.684589958 0.01 . . . . . . . 111 HIS HA . 53716 1 108 . 1 . 1 23 23 HIS HB2 H 1 3.066599846 0.01 . . . . . . . 111 HIS HB2 . 53716 1 109 . 1 . 1 23 23 HIS HB3 H 1 2.582520723 0.01 . . . . . . . 111 HIS HB3 . 53716 1 110 . 1 . 1 23 23 HIS CA C 13 55.41557324 0.01 . . . . . . . 111 HIS CA . 53716 1 111 . 1 . 1 23 23 HIS N N 15 121.0757186 0.01 . . . . . . . 111 HIS N . 53716 1 112 . 1 . 1 24 24 VAL H H 1 7.078399192 0.01 . . . . . . . 112 VAL H . 53716 1 113 . 1 . 1 24 24 VAL HA H 1 4.720053309 0.01 . . . . . . . 112 VAL HA . 53716 1 114 . 1 . 1 24 24 VAL HB H 1 3.001183279 0.01 . . . . . . . 112 VAL HB . 53716 1 115 . 1 . 1 24 24 VAL HG11 H 1 1.475879694 0.01 . . . . . . . 112 VAL HG . 53716 1 116 . 1 . 1 24 24 VAL HG12 H 1 1.475879694 0.01 . . . . . . . 112 VAL HG . 53716 1 117 . 1 . 1 24 24 VAL HG13 H 1 1.475879694 0.01 . . . . . . . 112 VAL HG . 53716 1 118 . 1 . 1 24 24 VAL HG21 H 1 1.475879694 0.01 . . . . . . . 112 VAL HG . 53716 1 119 . 1 . 1 24 24 VAL HG22 H 1 1.475879694 0.01 . . . . . . . 112 VAL HG . 53716 1 120 . 1 . 1 24 24 VAL HG23 H 1 1.475879694 0.01 . . . . . . . 112 VAL HG . 53716 1 121 . 1 . 1 24 24 VAL C C 13 172.7927932 0.01 . . . . . . . 112 VAL C . 53716 1 122 . 1 . 1 24 24 VAL CA C 13 61.85887337 0.01 . . . . . . . 112 VAL CA . 53716 1 123 . 1 . 1 24 24 VAL N N 15 119.5922955 0.01 . . . . . . . 112 VAL N . 53716 1 124 . 1 . 1 25 25 ALA H H 1 8.382422222 0.01 . . . . . . . 113 ALA H . 53716 1 125 . 1 . 1 25 25 ALA HA H 1 4.050909821 0.01 . . . . . . . 113 ALA HA . 53716 1 126 . 1 . 1 25 25 ALA HB1 H 1 1.308346259 0.01 . . . . . . . 113 ALA HB . 53716 1 127 . 1 . 1 25 25 ALA HB2 H 1 1.308346259 0.01 . . . . . . . 113 ALA HB . 53716 1 128 . 1 . 1 25 25 ALA HB3 H 1 1.308346259 0.01 . . . . . . . 113 ALA HB . 53716 1 129 . 1 . 1 25 25 ALA C C 13 175.3658184 0.01 . . . . . . . 113 ALA C . 53716 1 130 . 1 . 1 25 25 ALA CA C 13 52.55451603 0.01 . . . . . . . 113 ALA CA . 53716 1 131 . 1 . 1 25 25 ALA CB C 13 19.3546791 0.01 . . . . . . . 113 ALA CB . 53716 1 132 . 1 . 1 25 25 ALA N N 15 128.2478171 0.01 . . . . . . . 113 ALA N . 53716 1 133 . 1 . 1 26 26 GLY H H 1 8.299173915 0.01 . . . . . . . 114 GLY H . 53716 1 134 . 1 . 1 26 26 GLY HA2 H 1 3.887821124 0.01 . . . . . . . 114 GLY HA . 53716 1 135 . 1 . 1 26 26 GLY HA3 H 1 3.887821124 0.01 . . . . . . . 114 GLY HA . 53716 1 136 . 1 . 1 26 26 GLY C C 13 171.1677378 0.01 . . . . . . . 114 GLY C . 53716 1 137 . 1 . 1 26 26 GLY CA C 13 45.05573057 0.01 . . . . . . . 114 GLY CA . 53716 1 138 . 1 . 1 26 26 GLY N N 15 108.5750013 0.01 . . . . . . . 114 GLY N . 53716 1 139 . 1 . 1 27 27 ALA H H 1 8.070806931 0.01 . . . . . . . 115 ALA H . 53716 1 140 . 1 . 1 27 27 ALA HA H 1 4.224372674 0.01 . . . . . . . 115 ALA HA . 53716 1 141 . 1 . 1 27 27 ALA HB1 H 1 1.287611789 0.01 . . . . . . . 115 ALA HB . 53716 1 142 . 1 . 1 27 27 ALA HB2 H 1 1.287611789 0.01 . . . . . . . 115 ALA HB . 53716 1 143 . 1 . 1 27 27 ALA HB3 H 1 1.287611789 0.01 . . . . . . . 115 ALA HB . 53716 1 144 . 1 . 1 27 27 ALA CA C 13 52.46904211 0.01 . . . . . . . 115 ALA CA . 53716 1 145 . 1 . 1 27 27 ALA CB C 13 19.2523536 0.01 . . . . . . . 115 ALA CB . 53716 1 146 . 1 . 1 27 27 ALA N N 15 123.7561766 0.01 . . . . . . . 115 ALA N . 53716 1 147 . 1 . 1 28 28 ALA H H 1 8.214169728 0.01 . . . . . . . 116 ALA H . 53716 1 148 . 1 . 1 28 28 ALA HB1 H 1 1.299609931 0.01 . . . . . . . 116 ALA HB . 53716 1 149 . 1 . 1 28 28 ALA HB2 H 1 1.299609931 0.01 . . . . . . . 116 ALA HB . 53716 1 150 . 1 . 1 28 28 ALA HB3 H 1 1.299609931 0.01 . . . . . . . 116 ALA HB . 53716 1 151 . 1 . 1 28 28 ALA CA C 13 52.35404267 0.01 . . . . . . . 116 ALA CA . 53716 1 152 . 1 . 1 28 28 ALA CB C 13 19.28908031 0.01 . . . . . . . 116 ALA CB . 53716 1 153 . 1 . 1 28 28 ALA N N 15 123.1684156 0.01 . . . . . . . 116 ALA N . 53716 1 154 . 1 . 1 29 29 ALA H H 1 8.156018139 0.01 . . . . . . . 117 ALA H . 53716 1 155 . 1 . 1 29 29 ALA HA H 1 4.217597008 0.01 . . . . . . . 117 ALA HA . 53716 1 156 . 1 . 1 29 29 ALA HB1 H 1 1.285620893 0.01 . . . . . . . 117 ALA HB . 53716 1 157 . 1 . 1 29 29 ALA HB2 H 1 1.285620893 0.01 . . . . . . . 117 ALA HB . 53716 1 158 . 1 . 1 29 29 ALA HB3 H 1 1.285620893 0.01 . . . . . . . 117 ALA HB . 53716 1 159 . 1 . 1 29 29 ALA CA C 13 52.41032306 0.01 . . . . . . . 117 ALA CA . 53716 1 160 . 1 . 1 29 29 ALA CB C 13 19.17899957 0.01 . . . . . . . 117 ALA CB . 53716 1 161 . 1 . 1 29 29 ALA N N 15 123.2942161 0.01 . . . . . . . 117 ALA N . 53716 1 162 . 1 . 1 30 30 ALA H H 1 8.013577112 0.01 . . . . . . . 118 ALA H . 53716 1 163 . 1 . 1 30 30 ALA HA H 1 4.288036346 0.01 . . . . . . . 118 ALA HA . 53716 1 164 . 1 . 1 30 30 ALA HB1 H 1 1.267015654 0.01 . . . . . . . 118 ALA HB . 53716 1 165 . 1 . 1 30 30 ALA HB2 H 1 1.267015654 0.01 . . . . . . . 118 ALA HB . 53716 1 166 . 1 . 1 30 30 ALA HB3 H 1 1.267015654 0.01 . . . . . . . 118 ALA HB . 53716 1 167 . 1 . 1 30 30 ALA CA C 13 52.61758397 0.01 . . . . . . . 118 ALA CA . 53716 1 168 . 1 . 1 30 30 ALA CB C 13 19.32836801 0.01 . . . . . . . 118 ALA CB . 53716 1 169 . 1 . 1 30 30 ALA N N 15 123.4318407 0.01 . . . . . . . 118 ALA N . 53716 1 170 . 1 . 1 31 31 GLY H H 1 8.195487672 0.01 . . . . . . . 119 GLY H . 53716 1 171 . 1 . 1 31 31 GLY HA2 H 1 3.909157497 0.01 . . . . . . . 119 GLY HA2 . 53716 1 172 . 1 . 1 31 31 GLY CA C 13 45.1770116 0.01 . . . . . . . 119 GLY CA . 53716 1 173 . 1 . 1 31 31 GLY N N 15 107.7689505 0.01 . . . . . . . 119 GLY N . 53716 1 174 . 1 . 1 32 32 ALA H H 1 7.973860272 0.01 . . . . . . . 120 ALA H . 53716 1 175 . 1 . 1 32 32 ALA HB1 H 1 1.283 0.01 . . . . . . . 120 ALA HB . 53716 1 176 . 1 . 1 32 32 ALA HB2 H 1 1.283 0.01 . . . . . . . 120 ALA HB . 53716 1 177 . 1 . 1 32 32 ALA HB3 H 1 1.283 0.01 . . . . . . . 120 ALA HB . 53716 1 178 . 1 . 1 32 32 ALA C C 13 174.83 0.01 . . . . . . . 120 ALA C . 53716 1 179 . 1 . 1 32 32 ALA CA C 13 52.36224814 0.01 . . . . . . . 120 ALA CA . 53716 1 180 . 1 . 1 32 32 ALA N N 15 123.4309845 0.01 . . . . . . . 120 ALA N . 53716 1 181 . 1 . 1 33 33 VAL H H 1 8.057751138 0.01 . . . . . . . 121 VAL H . 53716 1 182 . 1 . 1 33 33 VAL CA C 13 62.10689649 0.01 . . . . . . . 121 VAL CA . 53716 1 183 . 1 . 1 33 33 VAL CB C 13 30.25398636 0.01 . . . . . . . 121 VAL CB . 53716 1 184 . 1 . 1 33 33 VAL N N 15 119.2937067 0.01 . . . . . . . 121 VAL N . 53716 1 185 . 1 . 1 34 34 VAL H H 1 8.181451191 0.01 . . . . . . . 122 VAL H . 53716 1 186 . 1 . 1 34 34 VAL HA H 1 4.045227568 0.01 . . . . . . . 122 VAL HA . 53716 1 187 . 1 . 1 34 34 VAL HB H 1 1.92258622 0.01 . . . . . . . 122 VAL HB . 53716 1 188 . 1 . 1 34 34 VAL HG11 H 1 0.7925334387 0.01 . . . . . . . 122 VAL HG1# . 53716 1 189 . 1 . 1 34 34 VAL HG12 H 1 0.7925334387 0.01 . . . . . . . 122 VAL HG1# . 53716 1 190 . 1 . 1 34 34 VAL HG13 H 1 0.7925334387 0.01 . . . . . . . 122 VAL HG1# . 53716 1 191 . 1 . 1 34 34 VAL HG21 H 1 1.299688954 0.01 . . . . . . . 122 VAL HG2# . 53716 1 192 . 1 . 1 34 34 VAL HG22 H 1 1.299688954 0.01 . . . . . . . 122 VAL HG2# . 53716 1 193 . 1 . 1 34 34 VAL HG23 H 1 1.299688954 0.01 . . . . . . . 122 VAL HG2# . 53716 1 194 . 1 . 1 34 34 VAL C C 13 173.9128093 0.01 . . . . . . . 122 VAL C . 53716 1 195 . 1 . 1 34 34 VAL CA C 13 62.36085807 0.01 . . . . . . . 122 VAL CA . 53716 1 196 . 1 . 1 34 34 VAL CB C 13 32.73674965 0.01 . . . . . . . 122 VAL CB . 53716 1 197 . 1 . 1 34 34 VAL CG1 C 13 21.00408343 0.01 . . . . . . . 122 VAL CG1 . 53716 1 198 . 1 . 1 34 34 VAL N N 15 124.5597364 0.01 . . . . . . . 122 VAL N . 53716 1 199 . 1 . 1 35 35 GLY H H 1 8.509013816 0.01 . . . . . . . 123 GLY H . 53716 1 200 . 1 . 1 35 35 GLY CA C 13 45.43887433 0.01 . . . . . . . 123 GLY CA . 53716 1 201 . 1 . 1 35 35 GLY N N 15 113.2640187 0.01 . . . . . . . 123 GLY N . 53716 1 202 . 1 . 1 36 36 GLY H H 1 8.191095318 0.01 . . . . . . . 124 GLY H . 53716 1 203 . 1 . 1 36 36 GLY HA2 H 1 3.860122125 0.01 . . . . . . . 124 GLY HA . 53716 1 204 . 1 . 1 36 36 GLY HA3 H 1 3.860122125 0.01 . . . . . . . 124 GLY HA . 53716 1 205 . 1 . 1 36 36 GLY CA C 13 45.24078986 0.01 . . . . . . . 124 GLY CA . 53716 1 206 . 1 . 1 36 36 GLY N N 15 107.9139233 0.01 . . . . . . . 124 GLY N . 53716 1 207 . 1 . 1 37 37 LEU H H 1 8.06212042 0.01 . . . . . . . 125 LEU H . 53716 1 208 . 1 . 1 37 37 LEU HA H 1 4.276011883 0.01 . . . . . . . 125 LEU HA . 53716 1 209 . 1 . 1 37 37 LEU HB2 H 1 1.512629868 0.01 . . . . . . . 125 LEU HB2 . 53716 1 210 . 1 . 1 37 37 LEU HB3 H 1 1.521914436 0.01 . . . . . . . 125 LEU HB3 . 53716 1 211 . 1 . 1 37 37 LEU HG H 1 1.39486816 0.01 . . . . . . . 125 LEU HG . 53716 1 212 . 1 . 1 37 37 LEU HD11 H 1 0.7299265354 0.01 . . . . . . . 125 LEU HD . 53716 1 213 . 1 . 1 37 37 LEU HD12 H 1 0.7299265354 0.01 . . . . . . . 125 LEU HD . 53716 1 214 . 1 . 1 37 37 LEU HD13 H 1 0.7299265354 0.01 . . . . . . . 125 LEU HD . 53716 1 215 . 1 . 1 37 37 LEU HD21 H 1 0.7299265354 0.01 . . . . . . . 125 LEU HD . 53716 1 216 . 1 . 1 37 37 LEU HD22 H 1 0.7299265354 0.01 . . . . . . . 125 LEU HD . 53716 1 217 . 1 . 1 37 37 LEU HD23 H 1 0.7299265354 0.01 . . . . . . . 125 LEU HD . 53716 1 218 . 1 . 1 37 37 LEU C C 13 171.8363451 0.01 . . . . . . . 125 LEU C . 53716 1 219 . 1 . 1 37 37 LEU CA C 13 55.48321929 0.01 . . . . . . . 125 LEU CA . 53716 1 220 . 1 . 1 37 37 LEU CB C 13 39.88539492 0.01 . . . . . . . 125 LEU CB . 53716 1 221 . 1 . 1 37 37 LEU N N 15 121.5611485 0.01 . . . . . . . 125 LEU N . 53716 1 222 . 1 . 1 38 38 GLY H H 1 8.444049821 0.01 . . . . . . . 126 GLY H . 53716 1 223 . 1 . 1 38 38 GLY HA2 H 1 3.850015519 0.01 . . . . . . . 126 GLY HA . 53716 1 224 . 1 . 1 38 38 GLY HA3 H 1 3.850015519 0.01 . . . . . . . 126 GLY HA . 53716 1 225 . 1 . 1 38 38 GLY C C 13 172.016098 0.01 . . . . . . . 126 GLY C . 53716 1 226 . 1 . 1 38 38 GLY CA C 13 46.23612573 0.01 . . . . . . . 126 GLY CA . 53716 1 227 . 1 . 1 38 38 GLY N N 15 109.8476174 0.01 . . . . . . . 126 GLY N . 53716 1 228 . 1 . 1 39 39 GLY H H 1 8.194902336 0.01 . . . . . . . 127 GLY H . 53716 1 229 . 1 . 1 39 39 GLY HA2 H 1 3.828590079 0.01 . . . . . . . 127 GLY HA . 53716 1 230 . 1 . 1 39 39 GLY HA3 H 1 3.828590079 0.01 . . . . . . . 127 GLY HA . 53716 1 231 . 1 . 1 39 39 GLY CA C 13 45.28702836 0.01 . . . . . . . 127 GLY CA . 53716 1 232 . 1 . 1 39 39 GLY N N 15 108.3278087 0.01 . . . . . . . 127 GLY N . 53716 1 233 . 1 . 1 40 40 TYR H H 1 7.728573021 0.01 . . . . . . . 128 TYR H . 53716 1 234 . 1 . 1 40 40 TYR HA H 1 4.366119458 0.01 . . . . . . . 128 TYR HA . 53716 1 235 . 1 . 1 40 40 TYR HB2 H 1 2.797236938 0.01 . . . . . . . 128 TYR HB . 53716 1 236 . 1 . 1 40 40 TYR HB3 H 1 2.797236938 0.01 . . . . . . . 128 TYR HB . 53716 1 237 . 1 . 1 40 40 TYR HD1 H 1 6.755142689 0.01 . . . . . . . 128 TYR HD1 . 53716 1 238 . 1 . 1 40 40 TYR HE1 H 1 6.564987659 0.01 . . . . . . . 128 TYR HE1 . 53716 1 239 . 1 . 1 40 40 TYR C C 13 172.8315811 0.01 . . . . . . . 128 TYR C . 53716 1 240 . 1 . 1 40 40 TYR CA C 13 58.01722054 0.01 . . . . . . . 128 TYR CA . 53716 1 241 . 1 . 1 40 40 TYR N N 15 117.863695 0.01 . . . . . . . 128 TYR N . 53716 1 242 . 1 . 1 41 41 MET H H 1 9.025285558 0.01 . . . . . . . 129 MET H . 53716 1 243 . 1 . 1 41 41 MET HA H 1 4.400340216 0.01 . . . . . . . 129 MET HA . 53716 1 244 . 1 . 1 41 41 MET HB2 H 1 2.144092321 0.01 . . . . . . . 129 MET HB . 53716 1 245 . 1 . 1 41 41 MET HB3 H 1 2.144092321 0.01 . . . . . . . 129 MET HB . 53716 1 246 . 1 . 1 41 41 MET C C 13 172.1000061 0.01 . . . . . . . 129 MET C . 53716 1 247 . 1 . 1 41 41 MET CA C 13 53.73766082 0.01 . . . . . . . 129 MET CA . 53716 1 248 . 1 . 1 41 41 MET CB C 13 32.0608772 0.01 . . . . . . . 129 MET CB . 53716 1 249 . 1 . 1 41 41 MET N N 15 121.2902323 0.01 . . . . . . . 129 MET N . 53716 1 250 . 1 . 1 42 42 LEU H H 1 7.993962699 0.01 . . . . . . . 130 LEU H . 53716 1 251 . 1 . 1 42 42 LEU HA H 1 4.26996994 0.01 . . . . . . . 130 LEU HA . 53716 1 252 . 1 . 1 42 42 LEU HB2 H 1 1.730526617 0.01 . . . . . . . 130 LEU HB2 . 53716 1 253 . 1 . 1 42 42 LEU HB3 H 1 1.809584116 0.01 . . . . . . . 130 LEU HB3 . 53716 1 254 . 1 . 1 42 42 LEU HG H 1 1.4788692 0.01 . . . . . . . 130 LEU HG . 53716 1 255 . 1 . 1 42 42 LEU HD11 H 1 0.814986065 0.01 . . . . . . . 130 LEU HD . 53716 1 256 . 1 . 1 42 42 LEU HD12 H 1 0.814986065 0.01 . . . . . . . 130 LEU HD . 53716 1 257 . 1 . 1 42 42 LEU HD13 H 1 0.814986065 0.01 . . . . . . . 130 LEU HD . 53716 1 258 . 1 . 1 42 42 LEU HD21 H 1 0.814986065 0.01 . . . . . . . 130 LEU HD . 53716 1 259 . 1 . 1 42 42 LEU HD22 H 1 0.814986065 0.01 . . . . . . . 130 LEU HD . 53716 1 260 . 1 . 1 42 42 LEU HD23 H 1 0.814986065 0.01 . . . . . . . 130 LEU HD . 53716 1 261 . 1 . 1 42 42 LEU C C 13 172.1265869 0.01 . . . . . . . 130 LEU C . 53716 1 262 . 1 . 1 42 42 LEU CA C 13 53.23687694 0.01 . . . . . . . 130 LEU CA . 53716 1 263 . 1 . 1 42 42 LEU CB C 13 38.86605932 0.01 . . . . . . . 130 LEU CB . 53716 1 264 . 1 . 1 42 42 LEU CG C 13 30.15554314 0.01 . . . . . . . 130 LEU CG . 53716 1 265 . 1 . 1 42 42 LEU N N 15 121.1540372 0.01 . . . . . . . 130 LEU N . 53716 1 266 . 1 . 1 43 43 GLY H H 1 9.2609599 0.01 . . . . . . . 131 GLY H . 53716 1 267 . 1 . 1 43 43 GLY HA2 H 1 4.401978492 0.01 . . . . . . . 131 GLY HA . 53716 1 268 . 1 . 1 43 43 GLY HA3 H 1 4.401978492 0.01 . . . . . . . 131 GLY HA . 53716 1 269 . 1 . 1 43 43 GLY C C 13 170.135279 0.01 . . . . . . . 131 GLY C . 53716 1 270 . 1 . 1 43 43 GLY CA C 13 44.89520801 0.01 . . . . . . . 131 GLY CA . 53716 1 271 . 1 . 1 43 43 GLY N N 15 114.8123289 0.01 . . . . . . . 131 GLY N . 53716 1 272 . 1 . 1 44 44 SER H H 1 8.203175257 0.01 . . . . . . . 132 SER H . 53716 1 273 . 1 . 1 44 44 SER HA H 1 4.336104165 0.01 . . . . . . . 132 SER HA . 53716 1 274 . 1 . 1 44 44 SER HB2 H 1 3.905104876 0.01 . . . . . . . 132 SER HB . 53716 1 275 . 1 . 1 44 44 SER HB3 H 1 3.905104876 0.01 . . . . . . . 132 SER HB . 53716 1 276 . 1 . 1 44 44 SER C C 13 172.1964059 0.01 . . . . . . . 132 SER C . 53716 1 277 . 1 . 1 44 44 SER CA C 13 58.49035649 0.01 . . . . . . . 132 SER CA . 53716 1 278 . 1 . 1 44 44 SER CB C 13 64.18995169 0.01 . . . . . . . 132 SER CB . 53716 1 279 . 1 . 1 44 44 SER N N 15 113.6360407 0.01 . . . . . . . 132 SER N . 53716 1 280 . 1 . 1 45 45 ALA H H 1 8.602435829 0.01 . . . . . . . 133 ALA H . 53716 1 281 . 1 . 1 45 45 ALA HA H 1 4.313377263 0.01 . . . . . . . 133 ALA HA . 53716 1 282 . 1 . 1 45 45 ALA HB1 H 1 1.157992893 0.01 . . . . . . . 133 ALA HB . 53716 1 283 . 1 . 1 45 45 ALA HB2 H 1 1.157992893 0.01 . . . . . . . 133 ALA HB . 53716 1 284 . 1 . 1 45 45 ALA HB3 H 1 1.157992893 0.01 . . . . . . . 133 ALA HB . 53716 1 285 . 1 . 1 45 45 ALA C C 13 174.8196189 0.01 . . . . . . . 133 ALA C . 53716 1 286 . 1 . 1 45 45 ALA CA C 13 52.94481995 0.01 . . . . . . . 133 ALA CA . 53716 1 287 . 1 . 1 45 45 ALA CB C 13 18.61349797 0.01 . . . . . . . 133 ALA CB . 53716 1 288 . 1 . 1 45 45 ALA N N 15 125.491436 0.01 . . . . . . . 133 ALA N . 53716 1 289 . 1 . 1 46 46 MET H H 1 8.671562342 0.01 . . . . . . . 134 MET H . 53716 1 290 . 1 . 1 46 46 MET HA H 1 4.628370713 0.01 . . . . . . . 134 MET HA . 53716 1 291 . 1 . 1 46 46 MET HB2 H 1 1.917104548 0.01 . . . . . . . 134 MET HB2 . 53716 1 292 . 1 . 1 46 46 MET HB3 H 1 1.915579712 0.01 . . . . . . . 134 MET HB3 . 53716 1 293 . 1 . 1 46 46 MET HG2 H 1 2.400669472 0.01 . . . . . . . 134 MET HG2 . 53716 1 294 . 1 . 1 46 46 MET CA C 13 53.97030556 0.01 . . . . . . . 134 MET CA . 53716 1 295 . 1 . 1 46 46 MET CB C 13 30.01512213 0.01 . . . . . . . 134 MET CB . 53716 1 296 . 1 . 1 46 46 MET N N 15 121.2365209 0.01 . . . . . . . 134 MET N . 53716 1 297 . 1 . 1 47 47 SER H H 1 8.299835489 0.01 . . . . . . . 135 SER H . 53716 1 298 . 1 . 1 47 47 SER HA H 1 4.25919593 0.01 . . . . . . . 135 SER HA . 53716 1 299 . 1 . 1 47 47 SER HB2 H 1 3.710323615 0.01 . . . . . . . 135 SER HB . 53716 1 300 . 1 . 1 47 47 SER HB3 H 1 3.710323615 0.01 . . . . . . . 135 SER HB . 53716 1 301 . 1 . 1 47 47 SER C C 13 171.7848602 0.01 . . . . . . . 135 SER C . 53716 1 302 . 1 . 1 47 47 SER CA C 13 58.54691025 0.01 . . . . . . . 135 SER CA . 53716 1 303 . 1 . 1 47 47 SER CB C 13 63.25658068 0.01 . . . . . . . 135 SER CB . 53716 1 304 . 1 . 1 47 47 SER N N 15 115.9633254 0.01 . . . . . . . 135 SER N . 53716 1 305 . 1 . 1 48 48 ARG H H 1 8.582894695 0.01 . . . . . . . 136 ARG H . 53716 1 306 . 1 . 1 48 48 ARG HA H 1 4.247619584 0.01 . . . . . . . 136 ARG HA . 53716 1 307 . 1 . 1 48 48 ARG HB2 H 1 1.711027135 0.01 . . . . . . . 136 ARG HB . 53716 1 308 . 1 . 1 48 48 ARG HB3 H 1 1.711027135 0.01 . . . . . . . 136 ARG HB . 53716 1 309 . 1 . 1 48 48 ARG HG2 H 1 1.155673923 0.01 . . . . . . . 136 ARG HG2 . 53716 1 310 . 1 . 1 48 48 ARG HD2 H 1 3.014530639 0.01 . . . . . . . 136 ARG HD2 . 53716 1 311 . 1 . 1 48 48 ARG CA C 13 54.98718402 0.01 . . . . . . . 136 ARG CA . 53716 1 312 . 1 . 1 48 48 ARG CB C 13 30.27260813 0.01 . . . . . . . 136 ARG CB . 53716 1 313 . 1 . 1 48 48 ARG N N 15 126.3948344 0.01 . . . . . . . 136 ARG N . 53716 1 314 . 1 . 1 49 49 PRO HD2 H 1 3.694692965 0.01 . . . . . . . 137 PRO HD2 . 53716 1 315 . 1 . 1 50 50 MET H H 1 8.648759571 0.01 . . . . . . . 138 MET H . 53716 1 316 . 1 . 1 50 50 MET HA H 1 4.613475428 0.01 . . . . . . . 138 MET HA . 53716 1 317 . 1 . 1 50 50 MET HB2 H 1 1.935244732 0.01 . . . . . . . 138 MET HB . 53716 1 318 . 1 . 1 50 50 MET HB3 H 1 1.935244732 0.01 . . . . . . . 138 MET HB . 53716 1 319 . 1 . 1 50 50 MET HG2 H 1 2.181303282 0.01 . . . . . . . 138 MET HG2 . 53716 1 320 . 1 . 1 50 50 MET CA C 13 54.09800676 0.01 . . . . . . . 138 MET CA . 53716 1 321 . 1 . 1 50 50 MET N N 15 122.0750004 0.01 . . . . . . . 138 MET N . 53716 1 322 . 1 . 1 51 51 ILE H H 1 6.50975521 0.01 . . . . . . . 139 ILE H . 53716 1 323 . 1 . 1 51 51 ILE HA H 1 3.785223604 0.01 . . . . . . . 139 ILE HA . 53716 1 324 . 1 . 1 51 51 ILE HB H 1 0.9364597827 0.01 . . . . . . . 139 ILE HB . 53716 1 325 . 1 . 1 51 51 ILE HG21 H 1 0.7533545494 0.01 . . . . . . . 139 ILE MG . 53716 1 326 . 1 . 1 51 51 ILE HG22 H 1 0.7533545494 0.01 . . . . . . . 139 ILE MG . 53716 1 327 . 1 . 1 51 51 ILE HG23 H 1 0.7533545494 0.01 . . . . . . . 139 ILE MG . 53716 1 328 . 1 . 1 51 51 ILE HD11 H 1 -0.1390709877 0.01 . . . . . . . 139 ILE MD . 53716 1 329 . 1 . 1 51 51 ILE HD12 H 1 -0.1390709877 0.01 . . . . . . . 139 ILE MD . 53716 1 330 . 1 . 1 51 51 ILE HD13 H 1 -0.1390709877 0.01 . . . . . . . 139 ILE MD . 53716 1 331 . 1 . 1 51 51 ILE CA C 13 59.28066361 0.01 . . . . . . . 139 ILE CA . 53716 1 332 . 1 . 1 51 51 ILE CB C 13 38.83386396 0.01 . . . . . . . 139 ILE CB . 53716 1 333 . 1 . 1 51 51 ILE N N 15 124.3764524 0.01 . . . . . . . 139 ILE N . 53716 1 334 . 1 . 1 52 52 HIS H H 1 8.09573265 0.01 . . . . . . . 140 HIS H . 53716 1 335 . 1 . 1 52 52 HIS HA H 1 4.72904383 0.01 . . . . . . . 140 HIS HA . 53716 1 336 . 1 . 1 52 52 HIS HB2 H 1 3.158906692 0.01 . . . . . . . 140 HIS HB2 . 53716 1 337 . 1 . 1 52 52 HIS HB3 H 1 2.910050849 0.01 . . . . . . . 140 HIS HB3 . 53716 1 338 . 1 . 1 52 52 HIS CA C 13 54.10595309 0.01 . . . . . . . 140 HIS CA . 53716 1 339 . 1 . 1 52 52 HIS N N 15 121.7129427 0.01 . . . . . . . 140 HIS N . 53716 1 340 . 1 . 1 53 53 PHE H H 1 10.24668026 0.01 . . . . . . . 141 PHE H . 53716 1 341 . 1 . 1 53 53 PHE HA H 1 4.170840884 0.01 . . . . . . . 141 PHE HA . 53716 1 342 . 1 . 1 53 53 PHE HB2 H 1 2.735775149 0.01 . . . . . . . 141 PHE HB2 . 53716 1 343 . 1 . 1 53 53 PHE HB3 H 1 3.285404049 0.01 . . . . . . . 141 PHE HB3 . 53716 1 344 . 1 . 1 53 53 PHE HD1 H 1 7.228417873 0.01 . . . . . . . 141 PHE HD1 . 53716 1 345 . 1 . 1 53 53 PHE CA C 13 54.14552965 0.01 . . . . . . . 141 PHE CA . 53716 1 346 . 1 . 1 53 53 PHE N N 15 124.9134879 0.01 . . . . . . . 141 PHE N . 53716 1 347 . 1 . 1 54 54 GLY H H 1 8.922496988 0.01 . . . . . . . 142 GLY H . 53716 1 348 . 1 . 1 54 54 GLY HA2 H 1 3.676201344 0.01 . . . . . . . 142 GLY HA2 . 53716 1 349 . 1 . 1 54 54 GLY HA3 H 1 4.186142921 0.01 . . . . . . . 142 GLY HA3 . 53716 1 350 . 1 . 1 54 54 GLY CA C 13 45.75609038 0.01 . . . . . . . 142 GLY CA . 53716 1 351 . 1 . 1 54 54 GLY N N 15 108.7742326 0.01 . . . . . . . 142 GLY N . 53716 1 352 . 1 . 1 55 55 ASN H H 1 7.167021969 0.01 . . . . . . . 143 ASN H . 53716 1 353 . 1 . 1 55 55 ASN HA H 1 4.815244879 0.01 . . . . . . . 143 ASN HA . 53716 1 354 . 1 . 1 55 55 ASN HB2 H 1 2.683542088 0.01 . . . . . . . 143 ASN HB . 53716 1 355 . 1 . 1 55 55 ASN HB3 H 1 2.683542088 0.01 . . . . . . . 143 ASN HB . 53716 1 356 . 1 . 1 55 55 ASN HD21 H 1 7.467701977 0.01 . . . . . . . 143 ASN HD21 . 53716 1 357 . 1 . 1 55 55 ASN CA C 13 52.51428158 0.01 . . . . . . . 143 ASN CA . 53716 1 358 . 1 . 1 55 55 ASN CB C 13 41.49543099 0.01 . . . . . . . 143 ASN CB . 53716 1 359 . 1 . 1 55 55 ASN N N 15 114.2426295 0.01 . . . . . . . 143 ASN N . 53716 1 360 . 1 . 1 56 56 ASP H H 1 8.910843365 0.01 . . . . . . . 144 ASP H . 53716 1 361 . 1 . 1 56 56 ASP HA H 1 4.509427196 0.01 . . . . . . . 144 ASP HA . 53716 1 362 . 1 . 1 56 56 ASP HB2 H 1 2.679071458 0.01 . . . . . . . 144 ASP HB . 53716 1 363 . 1 . 1 56 56 ASP HB3 H 1 2.679071458 0.01 . . . . . . . 144 ASP HB . 53716 1 364 . 1 . 1 56 56 ASP CA C 13 57.79082377 0.01 . . . . . . . 144 ASP CA . 53716 1 365 . 1 . 1 56 56 ASP CB C 13 41.23713348 0.01 . . . . . . . 144 ASP CB . 53716 1 366 . 1 . 1 56 56 ASP N N 15 123.3262867 0.01 . . . . . . . 144 ASP N . 53716 1 367 . 1 . 1 57 57 TRP H H 1 8.43214053 0.01 . . . . . . . 145 TRP H . 53716 1 368 . 1 . 1 57 57 TRP HA H 1 4.136196113 0.01 . . . . . . . 145 TRP HA . 53716 1 369 . 1 . 1 57 57 TRP HB2 H 1 3.341728687 0.01 . . . . . . . 145 TRP HB . 53716 1 370 . 1 . 1 57 57 TRP HB3 H 1 3.341728687 0.01 . . . . . . . 145 TRP HB . 53716 1 371 . 1 . 1 57 57 TRP HE3 H 1 7.245242467 0.01 . . . . . . . 145 TRP HE3 . 53716 1 372 . 1 . 1 57 57 TRP CA C 13 61.8125866 0.01 . . . . . . . 145 TRP CA . 53716 1 373 . 1 . 1 57 57 TRP N N 15 120.3507993 0.01 . . . . . . . 145 TRP N . 53716 1 374 . 1 . 1 58 58 GLU H H 1 8.063108573 0.01 . . . . . . . 146 GLU H . 53716 1 375 . 1 . 1 58 58 GLU HA H 1 4.299393567 0.01 . . . . . . . 146 GLU HA . 53716 1 376 . 1 . 1 58 58 GLU HB2 H 1 1.771224081 0.01 . . . . . . . 146 GLU HB2 . 53716 1 377 . 1 . 1 58 58 GLU CA C 13 59.52604874 0.01 . . . . . . . 146 GLU CA . 53716 1 378 . 1 . 1 58 58 GLU CB C 13 29.2779014 0.01 . . . . . . . 146 GLU CB . 53716 1 379 . 1 . 1 58 58 GLU CG C 13 37.79751732 0.01 . . . . . . . 146 GLU CG . 53716 1 380 . 1 . 1 58 58 GLU N N 15 120.5229117 0.01 . . . . . . . 146 GLU N . 53716 1 381 . 1 . 1 59 59 ASP H H 1 7.86155401 0.01 . . . . . . . 147 ASP H . 53716 1 382 . 1 . 1 59 59 ASP HA H 1 4.594526912 0.01 . . . . . . . 147 ASP HA . 53716 1 383 . 1 . 1 59 59 ASP HB2 H 1 2.786633253 0.01 . . . . . . . 147 ASP HB . 53716 1 384 . 1 . 1 59 59 ASP HB3 H 1 2.786633253 0.01 . . . . . . . 147 ASP HB . 53716 1 385 . 1 . 1 59 59 ASP CA C 13 58.46686479 0.01 . . . . . . . 147 ASP CA . 53716 1 386 . 1 . 1 59 59 ASP CB C 13 40.62391312 0.01 . . . . . . . 147 ASP CB . 53716 1 387 . 1 . 1 59 59 ASP N N 15 118.849599 0.01 . . . . . . . 147 ASP N . 53716 1 388 . 1 . 1 60 60 ARG H H 1 7.948615323 0.01 . . . . . . . 148 ARG H . 53716 1 389 . 1 . 1 60 60 ARG HA H 1 3.877601858 0.01 . . . . . . . 148 ARG HA . 53716 1 390 . 1 . 1 60 60 ARG HB2 H 1 1.77868557 0.01 . . . . . . . 148 ARG HB . 53716 1 391 . 1 . 1 60 60 ARG HB3 H 1 1.77868557 0.01 . . . . . . . 148 ARG HB . 53716 1 392 . 1 . 1 60 60 ARG HD2 H 1 2.741171956 0.01 . . . . . . . 148 ARG HD . 53716 1 393 . 1 . 1 60 60 ARG HD3 H 1 2.741171956 0.01 . . . . . . . 148 ARG HD . 53716 1 394 . 1 . 1 60 60 ARG CA C 13 59.6189924 0.01 . . . . . . . 148 ARG CA . 53716 1 395 . 1 . 1 60 60 ARG CB C 13 29.86616741 0.01 . . . . . . . 148 ARG CB . 53716 1 396 . 1 . 1 60 60 ARG CG C 13 27.81883888 0.01 . . . . . . . 148 ARG CG . 53716 1 397 . 1 . 1 60 60 ARG CD C 13 45.35380983 0.01 . . . . . . . 148 ARG CD . 53716 1 398 . 1 . 1 60 60 ARG N N 15 119.8471756 0.01 . . . . . . . 148 ARG N . 53716 1 399 . 1 . 1 61 61 TYR H H 1 8.179832873 0.01 . . . . . . . 149 TYR H . 53716 1 400 . 1 . 1 61 61 TYR HA H 1 3.664867065 0.01 . . . . . . . 149 TYR HA . 53716 1 401 . 1 . 1 61 61 TYR HB2 H 1 2.259525776 0.01 . . . . . . . 149 TYR HB2 . 53716 1 402 . 1 . 1 61 61 TYR HD1 H 1 6.798297405 0.01 . . . . . . . 149 TYR HD1 . 53716 1 403 . 1 . 1 61 61 TYR CA C 13 62.13374322 0.01 . . . . . . . 149 TYR CA . 53716 1 404 . 1 . 1 61 61 TYR CB C 13 38.23959606 0.01 . . . . . . . 149 TYR CB . 53716 1 405 . 1 . 1 61 61 TYR N N 15 120.8540335 0.01 . . . . . . . 149 TYR N . 53716 1 406 . 1 . 1 62 62 TYR H H 1 8.934577601 0.01 . . . . . . . 150 TYR H . 53716 1 407 . 1 . 1 62 62 TYR HA H 1 3.908671552 0.01 . . . . . . . 150 TYR HA . 53716 1 408 . 1 . 1 62 62 TYR HB2 H 1 3.096915636 0.01 . . . . . . . 150 TYR HB2 . 53716 1 409 . 1 . 1 62 62 TYR HB3 H 1 3.460147321 0.01 . . . . . . . 150 TYR HB3 . 53716 1 410 . 1 . 1 62 62 TYR HE1 H 1 6.795557388 0.01 . . . . . . . 150 TYR HE1 . 53716 1 411 . 1 . 1 62 62 TYR CA C 13 63.05010426 0.01 . . . . . . . 150 TYR CA . 53716 1 412 . 1 . 1 62 62 TYR CB C 13 38.42562761 0.01 . . . . . . . 150 TYR CB . 53716 1 413 . 1 . 1 62 62 TYR N N 15 120.3453784 0.01 . . . . . . . 150 TYR N . 53716 1 414 . 1 . 1 63 63 ARG H H 1 7.801623718 0.01 . . . . . . . 151 ARG H . 53716 1 415 . 1 . 1 63 63 ARG HA H 1 3.876387062 0.01 . . . . . . . 151 ARG HA . 53716 1 416 . 1 . 1 63 63 ARG HB2 H 1 1.879331882 0.01 . . . . . . . 151 ARG HB . 53716 1 417 . 1 . 1 63 63 ARG HB3 H 1 1.879331882 0.01 . . . . . . . 151 ARG HB . 53716 1 418 . 1 . 1 63 63 ARG HG2 H 1 1.533117202 0.01 . . . . . . . 151 ARG HG2 . 53716 1 419 . 1 . 1 63 63 ARG HE H 1 7.519686246 0.01 . . . . . . . 151 ARG HE . 53716 1 420 . 1 . 1 63 63 ARG CA C 13 59.92760059 0.01 . . . . . . . 151 ARG CA . 53716 1 421 . 1 . 1 63 63 ARG CB C 13 28.62473833 0.01 . . . . . . . 151 ARG CB . 53716 1 422 . 1 . 1 63 63 ARG N N 15 117.2887442 0.01 . . . . . . . 151 ARG N . 53716 1 423 . 1 . 1 64 64 GLU H H 1 7.757652433 0.01 . . . . . . . 152 GLU H . 53716 1 424 . 1 . 1 64 64 GLU HA H 1 3.888761313 0.01 . . . . . . . 152 GLU HA . 53716 1 425 . 1 . 1 64 64 GLU HB2 H 1 1.732754127 0.01 . . . . . . . 152 GLU HB . 53716 1 426 . 1 . 1 64 64 GLU HB3 H 1 1.732754127 0.01 . . . . . . . 152 GLU HB . 53716 1 427 . 1 . 1 64 64 GLU HG2 H 1 2.234141712 0.01 . . . . . . . 152 GLU HG2 . 53716 1 428 . 1 . 1 64 64 GLU CA C 13 57.85227739 0.01 . . . . . . . 152 GLU CA . 53716 1 429 . 1 . 1 64 64 GLU CB C 13 30.12894142 0.01 . . . . . . . 152 GLU CB . 53716 1 430 . 1 . 1 64 64 GLU CG C 13 36.46025018 0.01 . . . . . . . 152 GLU CG . 53716 1 431 . 1 . 1 64 64 GLU N N 15 115.4709613 0.01 . . . . . . . 152 GLU N . 53716 1 432 . 1 . 1 65 65 ASN H H 1 7.434030765 0.01 . . . . . . . 153 ASN H . 53716 1 433 . 1 . 1 65 65 ASN HA H 1 4.370812037 0.01 . . . . . . . 153 ASN HA . 53716 1 434 . 1 . 1 65 65 ASN HB2 H 1 2.196350388 0.01 . . . . . . . 153 ASN HB . 53716 1 435 . 1 . 1 65 65 ASN HB3 H 1 2.196350388 0.01 . . . . . . . 153 ASN HB . 53716 1 436 . 1 . 1 65 65 ASN HD21 H 1 6.782261252 0.01 . . . . . . . 153 ASN HD21 . 53716 1 437 . 1 . 1 65 65 ASN CA C 13 54.78756267 0.01 . . . . . . . 153 ASN CA . 53716 1 438 . 1 . 1 65 65 ASN N N 15 115.7153226 0.01 . . . . . . . 153 ASN N . 53716 1 439 . 1 . 1 66 66 MET H H 1 7.7193928 0.01 . . . . . . . 154 MET H . 53716 1 440 . 1 . 1 66 66 MET HA H 1 4.018286228 0.01 . . . . . . . 154 MET HA . 53716 1 441 . 1 . 1 66 66 MET HB2 H 1 1.212278247 0.01 . . . . . . . 154 MET HB2 . 53716 1 442 . 1 . 1 66 66 MET HB3 H 1 1.547067165 0.01 . . . . . . . 154 MET HB3 . 53716 1 443 . 1 . 1 66 66 MET HG3 H 1 2.252180242 0.01 . . . . . . . 154 MET HG3 . 53716 1 444 . 1 . 1 66 66 MET HE1 H 1 2.057714701 0.01 . . . . . . . 154 MET HE# . 53716 1 445 . 1 . 1 66 66 MET HE2 H 1 2.057714701 0.01 . . . . . . . 154 MET HE# . 53716 1 446 . 1 . 1 66 66 MET HE3 H 1 2.057714701 0.01 . . . . . . . 154 MET HE# . 53716 1 447 . 1 . 1 66 66 MET C C 13 172.8810272 0.01 . . . . . . . 154 MET C . 53716 1 448 . 1 . 1 66 66 MET CA C 13 59.05934606 0.01 . . . . . . . 154 MET CA . 53716 1 449 . 1 . 1 66 66 MET CB C 13 34.54358029 0.01 . . . . . . . 154 MET CB . 53716 1 450 . 1 . 1 66 66 MET N N 15 117.9086708 0.01 . . . . . . . 154 MET N . 53716 1 451 . 1 . 1 67 67 ASN H H 1 8.012771413 0.01 . . . . . . . 155 ASN H . 53716 1 452 . 1 . 1 67 67 ASN HA H 1 4.288877377 0.01 . . . . . . . 155 ASN HA . 53716 1 453 . 1 . 1 67 67 ASN HB2 H 1 2.621133368 0.01 . . . . . . . 155 ASN HB . 53716 1 454 . 1 . 1 67 67 ASN HB3 H 1 2.621133368 0.01 . . . . . . . 155 ASN HB . 53716 1 455 . 1 . 1 67 67 ASN HD21 H 1 7.370346099 0.01 . . . . . . . 155 ASN HD21 . 53716 1 456 . 1 . 1 67 67 ASN C C 13 173.2988434 0.01 . . . . . . . 155 ASN C . 53716 1 457 . 1 . 1 67 67 ASN CA C 13 54.54125985 0.01 . . . . . . . 155 ASN CA . 53716 1 458 . 1 . 1 67 67 ASN CB C 13 39.21332692 0.01 . . . . . . . 155 ASN CB . 53716 1 459 . 1 . 1 67 67 ASN N N 15 115.9703227 0.01 . . . . . . . 155 ASN N . 53716 1 460 . 1 . 1 68 68 ARG H H 1 7.897339979 0.01 . . . . . . . 156 ARG H . 53716 1 461 . 1 . 1 68 68 ARG HA H 1 4.192209199 0.01 . . . . . . . 156 ARG HA . 53716 1 462 . 1 . 1 68 68 ARG HB2 H 1 1.468640087 0.01 . . . . . . . 156 ARG HB2 . 53716 1 463 . 1 . 1 68 68 ARG HB3 H 1 2.096557186 0.01 . . . . . . . 156 ARG HB3 . 53716 1 464 . 1 . 1 68 68 ARG HG2 H 1 1.451051789 0.01 . . . . . . . 156 ARG HG . 53716 1 465 . 1 . 1 68 68 ARG HG3 H 1 1.451051789 0.01 . . . . . . . 156 ARG HG . 53716 1 466 . 1 . 1 68 68 ARG CA C 13 56.62576216 0.01 . . . . . . . 156 ARG CA . 53716 1 467 . 1 . 1 68 68 ARG N N 15 117.628035 0.01 . . . . . . . 156 ARG N . 53716 1 468 . 1 . 1 69 69 TYR H H 1 7.260217057 0.01 . . . . . . . 157 TYR H . 53716 1 469 . 1 . 1 69 69 TYR HA H 1 4.97080458 0.01 . . . . . . . 157 TYR HA . 53716 1 470 . 1 . 1 69 69 TYR HB2 H 1 3.057427855 0.01 . . . . . . . 157 TYR HB . 53716 1 471 . 1 . 1 69 69 TYR HB3 H 1 3.057427855 0.01 . . . . . . . 157 TYR HB . 53716 1 472 . 1 . 1 69 69 TYR HD1 H 1 6.761859989 0.01 . . . . . . . 157 TYR HD1 . 53716 1 473 . 1 . 1 69 69 TYR C C 13 170.0627289 0.01 . . . . . . . 157 TYR C . 53716 1 474 . 1 . 1 69 69 TYR CA C 13 53.05479145 0.01 . . . . . . . 157 TYR CA . 53716 1 475 . 1 . 1 69 69 TYR CB C 13 35.10983693 0.01 . . . . . . . 157 TYR CB . 53716 1 476 . 1 . 1 69 69 TYR N N 15 120.6585198 0.01 . . . . . . . 157 TYR N . 53716 1 477 . 1 . 1 70 70 PRO CA C 13 63.5474655 0.01 . . . . . . . 158 PRO CA . 53716 1 478 . 1 . 1 71 71 ASN H H 1 8.472893734 0.01 . . . . . . . 159 ASN H . 53716 1 479 . 1 . 1 71 71 ASN HA H 1 4.586920797 0.01 . . . . . . . 159 ASN HA . 53716 1 480 . 1 . 1 71 71 ASN HB2 H 1 2.318030751 0.01 . . . . . . . 159 ASN HB . 53716 1 481 . 1 . 1 71 71 ASN HB3 H 1 2.318030751 0.01 . . . . . . . 159 ASN HB . 53716 1 482 . 1 . 1 71 71 ASN HD21 H 1 7.194447018 0.01 . . . . . . . 159 ASN HD21 . 53716 1 483 . 1 . 1 71 71 ASN C C 13 170.2373505 0.01 . . . . . . . 159 ASN C . 53716 1 484 . 1 . 1 71 71 ASN CA C 13 52.0265151 0.01 . . . . . . . 159 ASN CA . 53716 1 485 . 1 . 1 71 71 ASN N N 15 116.1419443 0.01 . . . . . . . 159 ASN N . 53716 1 486 . 1 . 1 72 72 GLN H H 1 7.200687253 0.01 . . . . . . . 160 GLN H . 53716 1 487 . 1 . 1 72 72 GLN HA H 1 4.439597826 0.01 . . . . . . . 160 GLN HA . 53716 1 488 . 1 . 1 72 72 GLN HB2 H 1 1.925966799 0.01 . . . . . . . 160 GLN HB . 53716 1 489 . 1 . 1 72 72 GLN HB3 H 1 1.925966799 0.01 . . . . . . . 160 GLN HB . 53716 1 490 . 1 . 1 72 72 GLN HG2 H 1 2.273868504 0.01 . . . . . . . 160 GLN HG2 . 53716 1 491 . 1 . 1 72 72 GLN CA C 13 54.20275598 0.01 . . . . . . . 160 GLN CA . 53716 1 492 . 1 . 1 72 72 GLN N N 15 114.1041899 0.01 . . . . . . . 160 GLN N . 53716 1 493 . 1 . 1 73 73 VAL H H 1 8.344133049 0.01 . . . . . . . 161 VAL H . 53716 1 494 . 1 . 1 73 73 VAL HA H 1 4.520283676 0.01 . . . . . . . 161 VAL HA . 53716 1 495 . 1 . 1 73 73 VAL HB H 1 1.929697878 0.01 . . . . . . . 161 VAL HB . 53716 1 496 . 1 . 1 73 73 VAL HG11 H 1 0.7675021887 0.01 . . . . . . . 161 VAL HG . 53716 1 497 . 1 . 1 73 73 VAL HG12 H 1 0.7675021887 0.01 . . . . . . . 161 VAL HG . 53716 1 498 . 1 . 1 73 73 VAL HG13 H 1 0.7675021887 0.01 . . . . . . . 161 VAL HG . 53716 1 499 . 1 . 1 73 73 VAL HG21 H 1 0.7675021887 0.01 . . . . . . . 161 VAL HG . 53716 1 500 . 1 . 1 73 73 VAL HG22 H 1 0.7675021887 0.01 . . . . . . . 161 VAL HG . 53716 1 501 . 1 . 1 73 73 VAL HG23 H 1 0.7675021887 0.01 . . . . . . . 161 VAL HG . 53716 1 502 . 1 . 1 73 73 VAL CA C 13 58.74643775 0.01 . . . . . . . 161 VAL CA . 53716 1 503 . 1 . 1 73 73 VAL CB C 13 33.88991112 0.01 . . . . . . . 161 VAL CB . 53716 1 504 . 1 . 1 73 73 VAL N N 15 112.6319777 0.01 . . . . . . . 161 VAL N . 53716 1 505 . 1 . 1 74 74 TYR H H 1 8.428551121 0.01 . . . . . . . 162 TYR H . 53716 1 506 . 1 . 1 74 74 TYR HA H 1 5.106755926 0.01 . . . . . . . 162 TYR HA . 53716 1 507 . 1 . 1 74 74 TYR HB2 H 1 2.522088051 0.01 . . . . . . . 162 TYR HB2 . 53716 1 508 . 1 . 1 74 74 TYR HB3 H 1 3.059253036 0.01 . . . . . . . 162 TYR HB3 . 53716 1 509 . 1 . 1 74 74 TYR HD1 H 1 6.818767548 0.01 . . . . . . . 162 TYR HD1 . 53716 1 510 . 1 . 1 74 74 TYR HE1 H 1 6.345750809 0.01 . . . . . . . 162 TYR HE1 . 53716 1 511 . 1 . 1 74 74 TYR C C 13 171.6239072 0.01 . . . . . . . 162 TYR C . 53716 1 512 . 1 . 1 74 74 TYR CA C 13 56.99822801 0.01 . . . . . . . 162 TYR CA . 53716 1 513 . 1 . 1 74 74 TYR N N 15 121.1746328 0.01 . . . . . . . 162 TYR N . 53716 1 514 . 1 . 1 75 75 TYR H H 1 8.415221525 0.01 . . . . . . . 163 TYR H . 53716 1 515 . 1 . 1 75 75 TYR HA H 1 4.706215076 0.01 . . . . . . . 163 TYR HA . 53716 1 516 . 1 . 1 75 75 TYR HB2 H 1 2.821599007 0.01 . . . . . . . 163 TYR HB2 . 53716 1 517 . 1 . 1 75 75 TYR HD1 H 1 7.050578117 0.01 . . . . . . . 163 TYR HD1 . 53716 1 518 . 1 . 1 75 75 TYR HE1 H 1 6.804452419 0.01 . . . . . . . 163 TYR HE1 . 53716 1 519 . 1 . 1 75 75 TYR C C 13 173.0814056 0.01 . . . . . . . 163 TYR C . 53716 1 520 . 1 . 1 75 75 TYR CA C 13 56.09991017 0.01 . . . . . . . 163 TYR CA . 53716 1 521 . 1 . 1 75 75 TYR CB C 13 38.58842828 0.01 . . . . . . . 163 TYR CB . 53716 1 522 . 1 . 1 75 75 TYR N N 15 111.0086024 0.01 . . . . . . . 163 TYR N . 53716 1 523 . 1 . 1 76 76 ARG H H 1 8.037112513 0.01 . . . . . . . 164 ARG H . 53716 1 524 . 1 . 1 76 76 ARG HA H 1 4.644420242 0.01 . . . . . . . 164 ARG HA . 53716 1 525 . 1 . 1 76 76 ARG HB2 H 1 1.942898512 0.01 . . . . . . . 164 ARG HB2 . 53716 1 526 . 1 . 1 76 76 ARG C C 13 171.5507202 0.01 . . . . . . . 164 ARG C . 53716 1 527 . 1 . 1 76 76 ARG CA C 13 52.69738942 0.01 . . . . . . . 164 ARG CA . 53716 1 528 . 1 . 1 76 76 ARG CB C 13 29.28973464 0.01 . . . . . . . 164 ARG CB . 53716 1 529 . 1 . 1 76 76 ARG N N 15 120.3776599 0.01 . . . . . . . 164 ARG N . 53716 1 530 . 1 . 1 77 77 PRO HA H 1 4.504524708 0.01 . . . . . . . 165 PRO HA . 53716 1 531 . 1 . 1 77 77 PRO CA C 13 63.58384287 0.01 . . . . . . . 165 PRO CA . 53716 1 532 . 1 . 1 78 78 VAL H H 1 8.537805813 0.01 . . . . . . . 166 VAL H . 53716 1 533 . 1 . 1 78 78 VAL HA H 1 4.148851395 0.01 . . . . . . . 166 VAL HA . 53716 1 534 . 1 . 1 78 78 VAL HB H 1 1.918290377 0.01 . . . . . . . 166 VAL HB . 53716 1 535 . 1 . 1 78 78 VAL HG11 H 1 0.6604343663 0.01 . . . . . . . 166 VAL HG . 53716 1 536 . 1 . 1 78 78 VAL HG12 H 1 0.6604343663 0.01 . . . . . . . 166 VAL HG . 53716 1 537 . 1 . 1 78 78 VAL HG13 H 1 0.6604343663 0.01 . . . . . . . 166 VAL HG . 53716 1 538 . 1 . 1 78 78 VAL HG21 H 1 0.6604343663 0.01 . . . . . . . 166 VAL HG . 53716 1 539 . 1 . 1 78 78 VAL HG22 H 1 0.6604343663 0.01 . . . . . . . 166 VAL HG . 53716 1 540 . 1 . 1 78 78 VAL HG23 H 1 0.6604343663 0.01 . . . . . . . 166 VAL HG . 53716 1 541 . 1 . 1 78 78 VAL CA C 13 65.66172302 0.01 . . . . . . . 166 VAL CA . 53716 1 542 . 1 . 1 78 78 VAL N N 15 118.9469049 0.01 . . . . . . . 166 VAL N . 53716 1 543 . 1 . 1 79 79 ASP H H 1 8.129434724 0.01 . . . . . . . 167 ASP H . 53716 1 544 . 1 . 1 79 79 ASP HA H 1 4.323019162 0.01 . . . . . . . 167 ASP HA . 53716 1 545 . 1 . 1 79 79 ASP HB2 H 1 2.608920097 0.01 . . . . . . . 167 ASP HB . 53716 1 546 . 1 . 1 79 79 ASP HB3 H 1 2.608920097 0.01 . . . . . . . 167 ASP HB . 53716 1 547 . 1 . 1 79 79 ASP CA C 13 54.587846 0.01 . . . . . . . 167 ASP CA . 53716 1 548 . 1 . 1 79 79 ASP CB C 13 41.05644697 0.01 . . . . . . . 167 ASP CB . 53716 1 549 . 1 . 1 79 79 ASP N N 15 117.1150119 0.01 . . . . . . . 167 ASP N . 53716 1 550 . 1 . 1 80 80 GLN H H 1 8.122153137 0.01 . . . . . . . 168 GLN H . 53716 1 551 . 1 . 1 80 80 GLN HA H 1 4.139047842 0.01 . . . . . . . 168 GLN HA . 53716 1 552 . 1 . 1 80 80 GLN HB2 H 1 1.589385939 0.01 . . . . . . . 168 GLN HB2 . 53716 1 553 . 1 . 1 80 80 GLN HB3 H 1 2.098701585 0.01 . . . . . . . 168 GLN HB3 . 53716 1 554 . 1 . 1 80 80 GLN HG2 H 1 2.365634441 0.01 . . . . . . . 168 GLN HG . 53716 1 555 . 1 . 1 80 80 GLN HG3 H 1 2.365634441 0.01 . . . . . . . 168 GLN HG . 53716 1 556 . 1 . 1 80 80 GLN HE21 H 1 7.506371498 0.01 . . . . . . . 168 GLN HE21 . 53716 1 557 . 1 . 1 80 80 GLN HE22 H 1 6.892032623 0.01 . . . . . . . 168 GLN HE22 . 53716 1 558 . 1 . 1 80 80 GLN CA C 13 55.85406545 0.01 . . . . . . . 168 GLN CA . 53716 1 559 . 1 . 1 80 80 GLN CB C 13 29.61518016 0.01 . . . . . . . 168 GLN CB . 53716 1 560 . 1 . 1 80 80 GLN CG C 13 33.94007931 0.01 . . . . . . . 168 GLN CG . 53716 1 561 . 1 . 1 80 80 GLN N N 15 117.3441811 0.01 . . . . . . . 168 GLN N . 53716 1 562 . 1 . 1 81 81 TYR H H 1 7.786465004 0.01 . . . . . . . 169 TYR H . 53716 1 563 . 1 . 1 81 81 TYR HA H 1 4.689534305 0.01 . . . . . . . 169 TYR HA . 53716 1 564 . 1 . 1 81 81 TYR HB2 H 1 3.131512224 0.01 . . . . . . . 169 TYR HB . 53716 1 565 . 1 . 1 81 81 TYR HB3 H 1 3.131512224 0.01 . . . . . . . 169 TYR HB . 53716 1 566 . 1 . 1 81 81 TYR CA C 13 57.06810854 0.01 . . . . . . . 169 TYR CA . 53716 1 567 . 1 . 1 81 81 TYR CB C 13 41.20004148 0.01 . . . . . . . 169 TYR CB . 53716 1 568 . 1 . 1 81 81 TYR N N 15 116.8123978 0.01 . . . . . . . 169 TYR N . 53716 1 569 . 1 . 1 82 82 ASN H H 1 8.937594311 0.01 . . . . . . . 170 ASN H . 53716 1 570 . 1 . 1 82 82 ASN HA H 1 4.728264607 0.01 . . . . . . . 170 ASN HA . 53716 1 571 . 1 . 1 82 82 ASN HB2 H 1 2.772364974 0.01 . . . . . . . 170 ASN HB2 . 53716 1 572 . 1 . 1 82 82 ASN CA C 13 53.49223375 0.01 . . . . . . . 170 ASN CA . 53716 1 573 . 1 . 1 82 82 ASN CB C 13 40.97348799 0.01 . . . . . . . 170 ASN CB . 53716 1 574 . 1 . 1 82 82 ASN N N 15 117.3059543 0.01 . . . . . . . 170 ASN N . 53716 1 575 . 1 . 1 83 83 ASN H H 1 7.50035142 0.01 . . . . . . . 171 ASN H . 53716 1 576 . 1 . 1 83 83 ASN HA H 1 4.69002625 0.01 . . . . . . . 171 ASN HA . 53716 1 577 . 1 . 1 83 83 ASN HB2 H 1 2.930482417 0.01 . . . . . . . 171 ASN HB2 . 53716 1 578 . 1 . 1 83 83 ASN HD22 H 1 7.179032109 0.01 . . . . . . . 171 ASN HD22 . 53716 1 579 . 1 . 1 83 83 ASN CA C 13 52.58384567 0.01 . . . . . . . 171 ASN CA . 53716 1 580 . 1 . 1 83 83 ASN CB C 13 40.20885019 0.01 . . . . . . . 171 ASN CB . 53716 1 581 . 1 . 1 83 83 ASN N N 15 113.1513198 0.01 . . . . . . . 171 ASN N . 53716 1 582 . 1 . 1 84 84 GLN H H 1 8.59048134 0.01 . . . . . . . 172 GLN H . 53716 1 583 . 1 . 1 84 84 GLN HA H 1 4.673156158 0.01 . . . . . . . 172 GLN HA . 53716 1 584 . 1 . 1 84 84 GLN HB2 H 1 1.528972391 0.01 . . . . . . . 172 GLN HB . 53716 1 585 . 1 . 1 84 84 GLN HB3 H 1 1.528972391 0.01 . . . . . . . 172 GLN HB . 53716 1 586 . 1 . 1 84 84 GLN CA C 13 58.81803645 0.01 . . . . . . . 172 GLN CA . 53716 1 587 . 1 . 1 84 84 GLN N N 15 120.5460961 0.01 . . . . . . . 172 GLN N . 53716 1 588 . 1 . 1 85 85 ASN H H 1 8.367700976 0.01 . . . . . . . 173 ASN H . 53716 1 589 . 1 . 1 85 85 ASN HA H 1 4.345250368 0.01 . . . . . . . 173 ASN HA . 53716 1 590 . 1 . 1 85 85 ASN HB2 H 1 2.654587507 0.01 . . . . . . . 173 ASN HB2 . 53716 1 591 . 1 . 1 85 85 ASN HB3 H 1 2.859024048 0.01 . . . . . . . 173 ASN HB3 . 53716 1 592 . 1 . 1 85 85 ASN CA C 13 56.45979173 0.01 . . . . . . . 173 ASN CA . 53716 1 593 . 1 . 1 85 85 ASN CB C 13 35.18773025 0.01 . . . . . . . 173 ASN CB . 53716 1 594 . 1 . 1 85 85 ASN N N 15 117.3572483 0.01 . . . . . . . 173 ASN N . 53716 1 595 . 1 . 1 86 86 ASN H H 1 8.412236348 0.01 . . . . . . . 174 ASN H . 53716 1 596 . 1 . 1 86 86 ASN HA H 1 4.485770174 0.01 . . . . . . . 174 ASN HA . 53716 1 597 . 1 . 1 86 86 ASN HB2 H 1 3.164682388 0.01 . . . . . . . 174 ASN HB2 . 53716 1 598 . 1 . 1 86 86 ASN HB3 H 1 2.871741056 0.01 . . . . . . . 174 ASN HB3 . 53716 1 599 . 1 . 1 86 86 ASN HD22 H 1 7.033121895 0.01 . . . . . . . 174 ASN HD22 . 53716 1 600 . 1 . 1 86 86 ASN C C 13 174.3084412 0.01 . . . . . . . 174 ASN C . 53716 1 601 . 1 . 1 86 86 ASN CA C 13 56.15862549 0.01 . . . . . . . 174 ASN CA . 53716 1 602 . 1 . 1 86 86 ASN CB C 13 38.43062821 0.01 . . . . . . . 174 ASN CB . 53716 1 603 . 1 . 1 86 86 ASN N N 15 118.1644431 0.01 . . . . . . . 174 ASN N . 53716 1 604 . 1 . 1 87 87 PHE H H 1 7.209525278 0.01 . . . . . . . 175 PHE H . 53716 1 605 . 1 . 1 87 87 PHE HA H 1 2.95243603 0.01 . . . . . . . 175 PHE HA . 53716 1 606 . 1 . 1 87 87 PHE HB2 H 1 2.402836521 0.01 . . . . . . . 175 PHE HB2 . 53716 1 607 . 1 . 1 87 87 PHE CA C 13 56.2179232 0.01 . . . . . . . 175 PHE CA . 53716 1 608 . 1 . 1 87 87 PHE CB C 13 38.74660625 0.01 . . . . . . . 175 PHE CB . 53716 1 609 . 1 . 1 87 87 PHE N N 15 121.4927709 0.01 . . . . . . . 175 PHE N . 53716 1 610 . 1 . 1 88 88 VAL H H 1 8.744913369 0.01 . . . . . . . 176 VAL H . 53716 1 611 . 1 . 1 88 88 VAL HA H 1 3.295102646 0.01 . . . . . . . 176 VAL HA . 53716 1 612 . 1 . 1 88 88 VAL HB H 1 2.090551266 0.01 . . . . . . . 176 VAL HB . 53716 1 613 . 1 . 1 88 88 VAL HG11 H 1 0.9443900358 0.01 . . . . . . . 176 VAL HG . 53716 1 614 . 1 . 1 88 88 VAL HG12 H 1 0.9443900358 0.01 . . . . . . . 176 VAL HG . 53716 1 615 . 1 . 1 88 88 VAL HG13 H 1 0.9443900358 0.01 . . . . . . . 176 VAL HG . 53716 1 616 . 1 . 1 88 88 VAL HG21 H 1 0.9443900358 0.01 . . . . . . . 176 VAL HG . 53716 1 617 . 1 . 1 88 88 VAL HG22 H 1 0.9443900358 0.01 . . . . . . . 176 VAL HG . 53716 1 618 . 1 . 1 88 88 VAL HG23 H 1 0.9443900358 0.01 . . . . . . . 176 VAL HG . 53716 1 619 . 1 . 1 88 88 VAL CA C 13 67.6362212 0.01 . . . . . . . 176 VAL CA . 53716 1 620 . 1 . 1 88 88 VAL N N 15 120.1389649 0.01 . . . . . . . 176 VAL N . 53716 1 621 . 1 . 1 89 89 HIS H H 1 8.327449552 0.01 . . . . . . . 177 HIS H . 53716 1 622 . 1 . 1 89 89 HIS HA H 1 4.308804353 0.01 . . . . . . . 177 HIS HA . 53716 1 623 . 1 . 1 89 89 HIS HB2 H 1 3.493525267 0.01 . . . . . . . 177 HIS HB2 . 53716 1 624 . 1 . 1 89 89 HIS HB3 H 1 3.235792927 0.01 . . . . . . . 177 HIS HB3 . 53716 1 625 . 1 . 1 89 89 HIS CA C 13 59.34749881 0.01 . . . . . . . 177 HIS CA . 53716 1 626 . 1 . 1 89 89 HIS CB C 13 27.27835059 0.01 . . . . . . . 177 HIS CB . 53716 1 627 . 1 . 1 89 89 HIS N N 15 116.7690243 0.01 . . . . . . . 177 HIS N . 53716 1 628 . 1 . 1 90 90 ASP H H 1 7.426045653 0.01 . . . . . . . 178 ASP H . 53716 1 629 . 1 . 1 90 90 ASP HA H 1 4.502002904 0.01 . . . . . . . 178 ASP HA . 53716 1 630 . 1 . 1 90 90 ASP HB2 H 1 2.878981074 0.01 . . . . . . . 178 ASP HB . 53716 1 631 . 1 . 1 90 90 ASP HB3 H 1 2.878981074 0.01 . . . . . . . 178 ASP HB . 53716 1 632 . 1 . 1 90 90 ASP CA C 13 57.22268531 0.01 . . . . . . . 178 ASP CA . 53716 1 633 . 1 . 1 90 90 ASP CB C 13 41.1035962 0.01 . . . . . . . 178 ASP CB . 53716 1 634 . 1 . 1 90 90 ASP N N 15 118.5868137 0.01 . . . . . . . 178 ASP N . 53716 1 635 . 1 . 1 91 91 CYS H H 1 8.059455261 0.01 . . . . . . . 179 CYS H . 53716 1 636 . 1 . 1 91 91 CYS HA H 1 4.471053579 0.01 . . . . . . . 179 CYS HA . 53716 1 637 . 1 . 1 91 91 CYS HB2 H 1 3.171149731 0.01 . . . . . . . 179 CYS HB2 . 53716 1 638 . 1 . 1 91 91 CYS HB3 H 1 2.830094373 0.01 . . . . . . . 179 CYS HB3 . 53716 1 639 . 1 . 1 91 91 CYS C C 13 174.7089911 0.01 . . . . . . . 179 CYS C . 53716 1 640 . 1 . 1 91 91 CYS CA C 13 58.67822597 0.01 . . . . . . . 179 CYS CA . 53716 1 641 . 1 . 1 91 91 CYS CB C 13 33.34354303 0.01 . . . . . . . 179 CYS CB . 53716 1 642 . 1 . 1 91 91 CYS N N 15 119.4047006 0.01 . . . . . . . 179 CYS N . 53716 1 643 . 1 . 1 92 92 VAL H H 1 9.102294948 0.01 . . . . . . . 180 VAL H . 53716 1 644 . 1 . 1 92 92 VAL HA H 1 3.564783901 0.01 . . . . . . . 180 VAL HA . 53716 1 645 . 1 . 1 92 92 VAL HB H 1 2.050786972 0.01 . . . . . . . 180 VAL HB . 53716 1 646 . 1 . 1 92 92 VAL HG11 H 1 0.937903285 0.01 . . . . . . . 180 VAL HG . 53716 1 647 . 1 . 1 92 92 VAL HG12 H 1 0.937903285 0.01 . . . . . . . 180 VAL HG . 53716 1 648 . 1 . 1 92 92 VAL HG13 H 1 0.937903285 0.01 . . . . . . . 180 VAL HG . 53716 1 649 . 1 . 1 92 92 VAL HG21 H 1 0.937903285 0.01 . . . . . . . 180 VAL HG . 53716 1 650 . 1 . 1 92 92 VAL HG22 H 1 0.937903285 0.01 . . . . . . . 180 VAL HG . 53716 1 651 . 1 . 1 92 92 VAL HG23 H 1 0.937903285 0.01 . . . . . . . 180 VAL HG . 53716 1 652 . 1 . 1 92 92 VAL CA C 13 66.15897989 0.01 . . . . . . . 180 VAL CA . 53716 1 653 . 1 . 1 92 92 VAL CB C 13 31.54586869 0.01 . . . . . . . 180 VAL CB . 53716 1 654 . 1 . 1 92 92 VAL CG1 C 13 24.18766906 0.01 . . . . . . . 180 VAL CG1 . 53716 1 655 . 1 . 1 92 92 VAL CG2 C 13 21.78233992 0.01 . . . . . . . 180 VAL CG2 . 53716 1 656 . 1 . 1 92 92 VAL N N 15 124.6483387 0.01 . . . . . . . 180 VAL N . 53716 1 657 . 1 . 1 93 93 ASN H H 1 7.537861875 0.01 . . . . . . . 181 ASN H . 53716 1 658 . 1 . 1 93 93 ASN HA H 1 4.23135486 0.01 . . . . . . . 181 ASN HA . 53716 1 659 . 1 . 1 93 93 ASN HB2 H 1 2.751075357 0.01 . . . . . . . 181 ASN HB . 53716 1 660 . 1 . 1 93 93 ASN HB3 H 1 2.751075357 0.01 . . . . . . . 181 ASN HB . 53716 1 661 . 1 . 1 93 93 ASN HD22 H 1 6.717964291 0.01 . . . . . . . 181 ASN HD22 . 53716 1 662 . 1 . 1 93 93 ASN C C 13 175.786438 0.01 . . . . . . . 181 ASN C . 53716 1 663 . 1 . 1 93 93 ASN CA C 13 56.78652623 0.01 . . . . . . . 181 ASN CA . 53716 1 664 . 1 . 1 93 93 ASN N N 15 116.3982617 0.01 . . . . . . . 181 ASN N . 53716 1 665 . 1 . 1 94 94 ILE H H 1 8.747650175 0.01 . . . . . . . 182 ILE H . 53716 1 666 . 1 . 1 94 94 ILE HA H 1 5.392299566 0.01 . . . . . . . 182 ILE HA . 53716 1 667 . 1 . 1 94 94 ILE HB H 1 1.550703174 0.01 . . . . . . . 182 ILE HB . 53716 1 668 . 1 . 1 94 94 ILE HG12 H 1 0.8601029967 0.01 . . . . . . . 182 ILE HG1# . 53716 1 669 . 1 . 1 94 94 ILE HG13 H 1 0.8601029967 0.01 . . . . . . . 182 ILE HG1# . 53716 1 670 . 1 . 1 94 94 ILE HG21 H 1 0.8534317017 0.01 . . . . . . . 182 ILE MG . 53716 1 671 . 1 . 1 94 94 ILE HG22 H 1 0.8534317017 0.01 . . . . . . . 182 ILE MG . 53716 1 672 . 1 . 1 94 94 ILE HG23 H 1 0.8534317017 0.01 . . . . . . . 182 ILE MG . 53716 1 673 . 1 . 1 94 94 ILE HD11 H 1 0.1647480875 0.01 . . . . . . . 182 ILE HD1# . 53716 1 674 . 1 . 1 94 94 ILE HD12 H 1 0.1647480875 0.01 . . . . . . . 182 ILE HD1# . 53716 1 675 . 1 . 1 94 94 ILE HD13 H 1 0.1647480875 0.01 . . . . . . . 182 ILE HD1# . 53716 1 676 . 1 . 1 94 94 ILE CA C 13 62.48513738 0.01 . . . . . . . 182 ILE CA . 53716 1 677 . 1 . 1 94 94 ILE CB C 13 36.57807679 0.01 . . . . . . . 182 ILE CB . 53716 1 678 . 1 . 1 94 94 ILE N N 15 118.9512334 0.01 . . . . . . . 182 ILE N . 53716 1 679 . 1 . 1 95 95 THR H H 1 8.084045023 0.01 . . . . . . . 183 THR H . 53716 1 680 . 1 . 1 95 95 THR HA H 1 4.005796042 0.01 . . . . . . . 183 THR HA . 53716 1 681 . 1 . 1 95 95 THR HB H 1 4.387770523 0.01 . . . . . . . 183 THR HB . 53716 1 682 . 1 . 1 95 95 THR CA C 13 68.68684539 0.01 . . . . . . . 183 THR CA . 53716 1 683 . 1 . 1 95 95 THR N N 15 117.9300499 0.01 . . . . . . . 183 THR N . 53716 1 684 . 1 . 1 96 96 ILE H H 1 8.447978094 0.01 . . . . . . . 184 ILE H . 53716 1 685 . 1 . 1 96 96 ILE HA H 1 3.584996104 0.01 . . . . . . . 184 ILE HA . 53716 1 686 . 1 . 1 96 96 ILE HB H 1 1.969547749 0.01 . . . . . . . 184 ILE HB . 53716 1 687 . 1 . 1 96 96 ILE HG21 H 1 0.7915592194 0.01 . . . . . . . 184 ILE MG . 53716 1 688 . 1 . 1 96 96 ILE HG22 H 1 0.7915592194 0.01 . . . . . . . 184 ILE MG . 53716 1 689 . 1 . 1 96 96 ILE HG23 H 1 0.7915592194 0.01 . . . . . . . 184 ILE MG . 53716 1 690 . 1 . 1 96 96 ILE CA C 13 66.25164221 0.01 . . . . . . . 184 ILE CA . 53716 1 691 . 1 . 1 96 96 ILE N N 15 120.7776652 0.01 . . . . . . . 184 ILE N . 53716 1 692 . 1 . 1 97 97 LYS H H 1 7.894709765 0.01 . . . . . . . 185 LYS H . 53716 1 693 . 1 . 1 97 97 LYS HA H 1 3.790071205 0.01 . . . . . . . 185 LYS HA . 53716 1 694 . 1 . 1 97 97 LYS HB2 H 1 1.636491299 0.01 . . . . . . . 185 LYS HB2 . 53716 1 695 . 1 . 1 97 97 LYS HE2 H 1 2.980772018 0.01 . . . . . . . 185 LYS HE2 . 53716 1 696 . 1 . 1 97 97 LYS CA C 13 59.92262808 0.01 . . . . . . . 185 LYS CA . 53716 1 697 . 1 . 1 97 97 LYS N N 15 122.7506395 0.01 . . . . . . . 185 LYS N . 53716 1 698 . 1 . 1 98 98 GLN H H 1 8.342900298 0.01 . . . . . . . 186 GLN H . 53716 1 699 . 1 . 1 98 98 GLN HA H 1 4.153419576 0.01 . . . . . . . 186 GLN HA . 53716 1 700 . 1 . 1 98 98 GLN HB2 H 1 1.870175481 0.01 . . . . . . . 186 GLN HB2 . 53716 1 701 . 1 . 1 98 98 GLN HB3 H 1 1.916681243 0.01 . . . . . . . 186 GLN HB3 . 53716 1 702 . 1 . 1 98 98 GLN CA C 13 57.92858031 0.01 . . . . . . . 186 GLN CA . 53716 1 703 . 1 . 1 98 98 GLN CB C 13 28.40242889 0.01 . . . . . . . 186 GLN CB . 53716 1 704 . 1 . 1 98 98 GLN CG C 13 33.19724333 0.01 . . . . . . . 186 GLN CG . 53716 1 705 . 1 . 1 98 98 GLN N N 15 116.5018126 0.01 . . . . . . . 186 GLN N . 53716 1 706 . 1 . 1 99 99 HIS H H 1 8.289848449 0.01 . . . . . . . 187 HIS H . 53716 1 707 . 1 . 1 99 99 HIS HA H 1 4.544366837 0.01 . . . . . . . 187 HIS HA . 53716 1 708 . 1 . 1 99 99 HIS HB2 H 1 3.997557878 0.01 . . . . . . . 187 HIS HB2 . 53716 1 709 . 1 . 1 99 99 HIS HB3 H 1 3.814362526 0.01 . . . . . . . 187 HIS HB3 . 53716 1 710 . 1 . 1 99 99 HIS HD1 H 1 7.51132679 0.01 . . . . . . . 187 HIS HD1 . 53716 1 711 . 1 . 1 99 99 HIS C C 13 176.3538818 0.01 . . . . . . . 187 HIS C . 53716 1 712 . 1 . 1 99 99 HIS CA C 13 58.19439115 0.01 . . . . . . . 187 HIS CA . 53716 1 713 . 1 . 1 99 99 HIS N N 15 117.920899 0.01 . . . . . . . 187 HIS N . 53716 1 714 . 1 . 1 100 100 THR H H 1 7.940350399 0.01 . . . . . . . 188 THR H . 53716 1 715 . 1 . 1 100 100 THR HA H 1 4.072197828 0.01 . . . . . . . 188 THR HA . 53716 1 716 . 1 . 1 100 100 THR HB H 1 4.115186705 0.01 . . . . . . . 188 THR HB . 53716 1 717 . 1 . 1 100 100 THR HG21 H 1 1.198965654 0.01 . . . . . . . 188 THR MG . 53716 1 718 . 1 . 1 100 100 THR HG22 H 1 1.198965654 0.01 . . . . . . . 188 THR MG . 53716 1 719 . 1 . 1 100 100 THR HG23 H 1 1.198965654 0.01 . . . . . . . 188 THR MG . 53716 1 720 . 1 . 1 100 100 THR CA C 13 64.6089607 0.01 . . . . . . . 188 THR CA . 53716 1 721 . 1 . 1 100 100 THR CB C 13 69.16463534 0.01 . . . . . . . 188 THR CB . 53716 1 722 . 1 . 1 100 100 THR N N 15 114.6681734 0.01 . . . . . . . 188 THR N . 53716 1 723 . 1 . 1 101 101 VAL H H 1 8.047596465 0.01 . . . . . . . 189 VAL H . 53716 1 724 . 1 . 1 101 101 VAL HA H 1 4.406862857 0.01 . . . . . . . 189 VAL HA . 53716 1 725 . 1 . 1 101 101 VAL HB H 1 1.979169461 0.01 . . . . . . . 189 VAL HB . 53716 1 726 . 1 . 1 101 101 VAL HG11 H 1 0.8186039147 0.01 . . . . . . . 189 VAL HG1 . 53716 1 727 . 1 . 1 101 101 VAL HG12 H 1 0.8186039147 0.01 . . . . . . . 189 VAL HG1 . 53716 1 728 . 1 . 1 101 101 VAL HG13 H 1 0.8186039147 0.01 . . . . . . . 189 VAL HG1 . 53716 1 729 . 1 . 1 101 101 VAL HG21 H 1 0.8789394982 0.01 . . . . . . . 189 VAL HG2 . 53716 1 730 . 1 . 1 101 101 VAL HG22 H 1 0.8789394982 0.01 . . . . . . . 189 VAL HG2 . 53716 1 731 . 1 . 1 101 101 VAL HG23 H 1 0.8789394982 0.01 . . . . . . . 189 VAL HG2 . 53716 1 732 . 1 . 1 101 101 VAL CA C 13 61.9754973 0.01 . . . . . . . 189 VAL CA . 53716 1 733 . 1 . 1 101 101 VAL CB C 13 32.9597414 0.01 . . . . . . . 189 VAL CB . 53716 1 734 . 1 . 1 101 101 VAL CG1 C 13 20.99250628 0.01 . . . . . . . 189 VAL CG1 . 53716 1 735 . 1 . 1 101 101 VAL N N 15 122.7358225 0.01 . . . . . . . 189 VAL N . 53716 1 736 . 1 . 1 102 102 THR H H 1 7.954440684 0.01 . . . . . . . 190 THR H . 53716 1 737 . 1 . 1 102 102 THR HA H 1 4.236495352 0.01 . . . . . . . 190 THR HA . 53716 1 738 . 1 . 1 102 102 THR HB H 1 4.250341384 0.01 . . . . . . . 190 THR HB . 53716 1 739 . 1 . 1 102 102 THR HG1 H 1 4.916088902 0.01 . . . . . . . 190 THR HG1 . 53716 1 740 . 1 . 1 102 102 THR HG21 H 1 1.191955061 0.01 . . . . . . . 190 THR MG . 53716 1 741 . 1 . 1 102 102 THR HG22 H 1 1.191955061 0.01 . . . . . . . 190 THR MG . 53716 1 742 . 1 . 1 102 102 THR HG23 H 1 1.191955061 0.01 . . . . . . . 190 THR MG . 53716 1 743 . 1 . 1 102 102 THR CA C 13 64.70566238 0.01 . . . . . . . 190 THR CA . 53716 1 744 . 1 . 1 102 102 THR CB C 13 69.57898632 0.01 . . . . . . . 190 THR CB . 53716 1 745 . 1 . 1 102 102 THR CG2 C 13 21.58006838 0.01 . . . . . . . 190 THR CG2 . 53716 1 746 . 1 . 1 102 102 THR N N 15 115.3106663 0.01 . . . . . . . 190 THR N . 53716 1 747 . 1 . 1 103 103 THR H H 1 8.040635002 0.01 . . . . . . . 191 THR H . 53716 1 748 . 1 . 1 103 103 THR HA H 1 4.304734328 0.01 . . . . . . . 191 THR HA . 53716 1 749 . 1 . 1 103 103 THR HB H 1 4.248739943 0.01 . . . . . . . 191 THR HB . 53716 1 750 . 1 . 1 103 103 THR CA C 13 64.61853854 0.01 . . . . . . . 191 THR CA . 53716 1 751 . 1 . 1 103 103 THR CB C 13 69.94546512 0.01 . . . . . . . 191 THR CB . 53716 1 752 . 1 . 1 103 103 THR N N 15 115.0731258 0.01 . . . . . . . 191 THR N . 53716 1 753 . 1 . 1 104 104 THR H H 1 8.131033334 0.01 . . . . . . . 192 THR H . 53716 1 754 . 1 . 1 104 104 THR HA H 1 4.473913944 0.01 . . . . . . . 192 THR HA . 53716 1 755 . 1 . 1 104 104 THR HB H 1 4.344499228 0.01 . . . . . . . 192 THR HB . 53716 1 756 . 1 . 1 104 104 THR CA C 13 64.55693689 0.01 . . . . . . . 192 THR CA . 53716 1 757 . 1 . 1 104 104 THR CB C 13 69.19244353 0.01 . . . . . . . 192 THR CB . 53716 1 758 . 1 . 1 104 104 THR N N 15 116.9834702 0.01 . . . . . . . 192 THR N . 53716 1 759 . 1 . 1 105 105 THR H H 1 7.767695208 0.01 . . . . . . . 193 THR H . 53716 1 760 . 1 . 1 105 105 THR HA H 1 4.212678856 0.01 . . . . . . . 193 THR HA . 53716 1 761 . 1 . 1 105 105 THR HB H 1 4.232270837 0.01 . . . . . . . 193 THR HB . 53716 1 762 . 1 . 1 105 105 THR HG1 H 1 4.683742497 0.01 . . . . . . . 193 THR HG1 . 53716 1 763 . 1 . 1 105 105 THR HG21 H 1 1.220119684 0.01 . . . . . . . 193 THR MG . 53716 1 764 . 1 . 1 105 105 THR HG22 H 1 1.220119684 0.01 . . . . . . . 193 THR MG . 53716 1 765 . 1 . 1 105 105 THR HG23 H 1 1.220119684 0.01 . . . . . . . 193 THR MG . 53716 1 766 . 1 . 1 105 105 THR C C 13 172.3654938 0.01 . . . . . . . 193 THR C . 53716 1 767 . 1 . 1 105 105 THR CA C 13 64.20700971 0.01 . . . . . . . 193 THR CA . 53716 1 768 . 1 . 1 105 105 THR CB C 13 69.18912588 0.01 . . . . . . . 193 THR CB . 53716 1 769 . 1 . 1 105 105 THR N N 15 116.0569529 0.01 . . . . . . . 193 THR N . 53716 1 770 . 1 . 1 106 106 LYS H H 1 8.011551444 0.01 . . . . . . . 194 LYS H . 53716 1 771 . 1 . 1 106 106 LYS HA H 1 4.407622302 0.01 . . . . . . . 194 LYS HA . 53716 1 772 . 1 . 1 106 106 LYS HB2 H 1 1.756949407 0.01 . . . . . . . 194 LYS HB . 53716 1 773 . 1 . 1 106 106 LYS HB3 H 1 1.756949407 0.01 . . . . . . . 194 LYS HB . 53716 1 774 . 1 . 1 106 106 LYS HG2 H 1 1.007861871 0.01 . . . . . . . 194 LYS HG . 53716 1 775 . 1 . 1 106 106 LYS HG3 H 1 1.007861871 0.01 . . . . . . . 194 LYS HG . 53716 1 776 . 1 . 1 106 106 LYS C C 13 172.9411948 0.01 . . . . . . . 194 LYS C . 53716 1 777 . 1 . 1 106 106 LYS CA C 13 56.03516396 0.01 . . . . . . . 194 LYS CA . 53716 1 778 . 1 . 1 106 106 LYS CB C 13 32.42751729 0.01 . . . . . . . 194 LYS CB . 53716 1 779 . 1 . 1 106 106 LYS N N 15 121.5558777 0.01 . . . . . . . 194 LYS N . 53716 1 780 . 1 . 1 107 107 GLY H H 1 8.29781955 0.01 . . . . . . . 195 GLY H . 53716 1 781 . 1 . 1 107 107 GLY HA2 H 1 3.95834353 0.01 . . . . . . . 195 GLY HA . 53716 1 782 . 1 . 1 107 107 GLY HA3 H 1 3.95834353 0.01 . . . . . . . 195 GLY HA . 53716 1 783 . 1 . 1 107 107 GLY C C 13 172.0294497 0.01 . . . . . . . 195 GLY C . 53716 1 784 . 1 . 1 107 107 GLY CA C 13 45.2058332 0.01 . . . . . . . 195 GLY CA . 53716 1 785 . 1 . 1 107 107 GLY N N 15 108.6758763 0.01 . . . . . . . 195 GLY N . 53716 1 786 . 1 . 1 108 108 GLU H H 1 7.476207261 0.01 . . . . . . . 196 GLU H . 53716 1 787 . 1 . 1 108 108 GLU HA H 1 4.125303768 0.01 . . . . . . . 196 GLU HA . 53716 1 788 . 1 . 1 108 108 GLU HB2 H 1 2.000596708 0.01 . . . . . . . 196 GLU HB2 . 53716 1 789 . 1 . 1 108 108 GLU HB3 H 1 1.507926745 0.01 . . . . . . . 196 GLU HB3 . 53716 1 790 . 1 . 1 108 108 GLU C C 13 172.3964539 0.01 . . . . . . . 196 GLU C . 53716 1 791 . 1 . 1 108 108 GLU CA C 13 55.79874737 0.01 . . . . . . . 196 GLU CA . 53716 1 792 . 1 . 1 108 108 GLU CB C 13 31.11560052 0.01 . . . . . . . 196 GLU CB . 53716 1 793 . 1 . 1 108 108 GLU CG C 13 35.9544463 0.01 . . . . . . . 196 GLU CG . 53716 1 794 . 1 . 1 108 108 GLU N N 15 119.962369 0.01 . . . . . . . 196 GLU N . 53716 1 795 . 1 . 1 109 109 ASN H H 1 8.388531702 0.01 . . . . . . . 197 ASN H . 53716 1 796 . 1 . 1 109 109 ASN HA H 1 4.600156421 0.01 . . . . . . . 197 ASN HA . 53716 1 797 . 1 . 1 109 109 ASN HB2 H 1 2.575184177 0.01 . . . . . . . 197 ASN HB . 53716 1 798 . 1 . 1 109 109 ASN HB3 H 1 2.575184177 0.01 . . . . . . . 197 ASN HB . 53716 1 799 . 1 . 1 109 109 ASN CA C 13 52.80105619 0.01 . . . . . . . 197 ASN CA . 53716 1 800 . 1 . 1 109 109 ASN N N 15 119.443432 0.01 . . . . . . . 197 ASN N . 53716 1 801 . 1 . 1 110 110 PHE H H 1 8.578467806 0.01 . . . . . . . 198 PHE H . 53716 1 802 . 1 . 1 110 110 PHE HA H 1 5.122578417 0.01 . . . . . . . 198 PHE HA . 53716 1 803 . 1 . 1 110 110 PHE HB2 H 1 2.93384045 0.01 . . . . . . . 198 PHE HB2 . 53716 1 804 . 1 . 1 110 110 PHE HB3 H 1 3.201243684 0.01 . . . . . . . 198 PHE HB3 . 53716 1 805 . 1 . 1 110 110 PHE HD1 H 1 7.299034871 0.01 . . . . . . . 198 PHE HD1 . 53716 1 806 . 1 . 1 110 110 PHE CA C 13 56.7845186 0.01 . . . . . . . 198 PHE CA . 53716 1 807 . 1 . 1 110 110 PHE CB C 13 40.42407493 0.01 . . . . . . . 198 PHE CB . 53716 1 808 . 1 . 1 110 110 PHE N N 15 121.4679552 0.01 . . . . . . . 198 PHE N . 53716 1 809 . 1 . 1 111 111 THR H H 1 9.458163734 0.01 . . . . . . . 199 THR H . 53716 1 810 . 1 . 1 111 111 THR HA H 1 4.563302593 0.01 . . . . . . . 199 THR HA . 53716 1 811 . 1 . 1 111 111 THR HB H 1 4.780159473 0.01 . . . . . . . 199 THR HB . 53716 1 812 . 1 . 1 111 111 THR HG1 H 1 5.191841544 0.01 . . . . . . . 199 THR HG1 . 53716 1 813 . 1 . 1 111 111 THR HG21 H 1 1.358600616 0.01 . . . . . . . 199 THR MG . 53716 1 814 . 1 . 1 111 111 THR HG22 H 1 1.358600616 0.01 . . . . . . . 199 THR MG . 53716 1 815 . 1 . 1 111 111 THR HG23 H 1 1.358600616 0.01 . . . . . . . 199 THR MG . 53716 1 816 . 1 . 1 111 111 THR C C 13 172.7921143 0.01 . . . . . . . 199 THR C . 53716 1 817 . 1 . 1 111 111 THR CA C 13 60.45408129 0.01 . . . . . . . 199 THR CA . 53716 1 818 . 1 . 1 111 111 THR CB C 13 72.30622016 0.01 . . . . . . . 199 THR CB . 53716 1 819 . 1 . 1 111 111 THR N N 15 116.0040641 0.01 . . . . . . . 199 THR N . 53716 1 820 . 1 . 1 112 112 GLU H H 1 9.066394558 0.01 . . . . . . . 200 GLU H . 53716 1 821 . 1 . 1 112 112 GLU HA H 1 4.014977849 0.01 . . . . . . . 200 GLU HA . 53716 1 822 . 1 . 1 112 112 GLU HB2 H 1 2.025018618 0.01 . . . . . . . 200 GLU HB . 53716 1 823 . 1 . 1 112 112 GLU HB3 H 1 2.025018618 0.01 . . . . . . . 200 GLU HB . 53716 1 824 . 1 . 1 112 112 GLU HG2 H 1 2.277046609 0.01 . . . . . . . 200 GLU HG2 . 53716 1 825 . 1 . 1 112 112 GLU CA C 13 59.96049423 0.01 . . . . . . . 200 GLU CA . 53716 1 826 . 1 . 1 112 112 GLU CB C 13 29.17284411 0.01 . . . . . . . 200 GLU CB . 53716 1 827 . 1 . 1 112 112 GLU CG C 13 36.25816509 0.01 . . . . . . . 200 GLU CG . 53716 1 828 . 1 . 1 112 112 GLU N N 15 119.8996287 0.01 . . . . . . . 200 GLU N . 53716 1 829 . 1 . 1 113 113 THR H H 1 7.889483937 0.01 . . . . . . . 201 THR H . 53716 1 830 . 1 . 1 113 113 THR HA H 1 3.718209865 0.01 . . . . . . . 201 THR HA . 53716 1 831 . 1 . 1 113 113 THR HB H 1 3.691715496 0.01 . . . . . . . 201 THR HB . 53716 1 832 . 1 . 1 113 113 THR HG1 H 1 4.668962603 0.01 . . . . . . . 201 THR HG1 . 53716 1 833 . 1 . 1 113 113 THR C C 13 173.0160217 0.01 . . . . . . . 201 THR C . 53716 1 834 . 1 . 1 113 113 THR CA C 13 66.97079428 0.01 . . . . . . . 201 THR CA . 53716 1 835 . 1 . 1 113 113 THR CB C 13 68.79648591 0.01 . . . . . . . 201 THR CB . 53716 1 836 . 1 . 1 113 113 THR N N 15 116.3569331 0.01 . . . . . . . 201 THR N . 53716 1 837 . 1 . 1 114 114 ASP H H 1 7.464708732 0.01 . . . . . . . 202 ASP H . 53716 1 838 . 1 . 1 114 114 ASP HA H 1 4.567577585 0.01 . . . . . . . 202 ASP HA . 53716 1 839 . 1 . 1 114 114 ASP HB2 H 1 3.32291317 0.01 . . . . . . . 202 ASP HB2 . 53716 1 840 . 1 . 1 114 114 ASP HB3 H 1 2.553102255 0.01 . . . . . . . 202 ASP HB3 . 53716 1 841 . 1 . 1 114 114 ASP C C 13 175.9941864 0.01 . . . . . . . 202 ASP C . 53716 1 842 . 1 . 1 114 114 ASP CA C 13 58.00145415 0.01 . . . . . . . 202 ASP CA . 53716 1 843 . 1 . 1 114 114 ASP CB C 13 41.81988634 0.01 . . . . . . . 202 ASP CB . 53716 1 844 . 1 . 1 114 114 ASP N N 15 120.0098364 0.01 . . . . . . . 202 ASP N . 53716 1 845 . 1 . 1 115 115 VAL H H 1 8.168645253 0.01 . . . . . . . 203 VAL H . 53716 1 846 . 1 . 1 115 115 VAL HA H 1 3.27057829 0.01 . . . . . . . 203 VAL HA . 53716 1 847 . 1 . 1 115 115 VAL HB H 1 2.053613324 0.01 . . . . . . . 203 VAL HB . 53716 1 848 . 1 . 1 115 115 VAL HG11 H 1 0.7962746091 0.01 . . . . . . . 203 VAL HG . 53716 1 849 . 1 . 1 115 115 VAL HG12 H 1 0.7962746091 0.01 . . . . . . . 203 VAL HG . 53716 1 850 . 1 . 1 115 115 VAL HG13 H 1 0.7962746091 0.01 . . . . . . . 203 VAL HG . 53716 1 851 . 1 . 1 115 115 VAL HG21 H 1 0.7962746091 0.01 . . . . . . . 203 VAL HG . 53716 1 852 . 1 . 1 115 115 VAL HG22 H 1 0.7962746091 0.01 . . . . . . . 203 VAL HG . 53716 1 853 . 1 . 1 115 115 VAL HG23 H 1 0.7962746091 0.01 . . . . . . . 203 VAL HG . 53716 1 854 . 1 . 1 115 115 VAL C C 13 174.8314972 0.01 . . . . . . . 203 VAL C . 53716 1 855 . 1 . 1 115 115 VAL CA C 13 67.8479542 0.01 . . . . . . . 203 VAL CA . 53716 1 856 . 1 . 1 115 115 VAL CB C 13 31.67539953 0.01 . . . . . . . 203 VAL CB . 53716 1 857 . 1 . 1 115 115 VAL CG1 C 13 22.63103176 0.01 . . . . . . . 203 VAL CG1 . 53716 1 858 . 1 . 1 115 115 VAL CG2 C 13 21.38789332 0.01 . . . . . . . 203 VAL CG2 . 53716 1 859 . 1 . 1 115 115 VAL N N 15 119.7236713 0.01 . . . . . . . 203 VAL N . 53716 1 860 . 1 . 1 116 116 LYS H H 1 8.051270673 0.01 . . . . . . . 204 LYS H . 53716 1 861 . 1 . 1 116 116 LYS HA H 1 4.260500729 0.01 . . . . . . . 204 LYS HA . 53716 1 862 . 1 . 1 116 116 LYS HB2 H 1 1.922881751 0.01 . . . . . . . 204 LYS HB . 53716 1 863 . 1 . 1 116 116 LYS HB3 H 1 1.922881751 0.01 . . . . . . . 204 LYS HB . 53716 1 864 . 1 . 1 116 116 LYS HG2 H 1 0.812340209 0.01 . . . . . . . 204 LYS HG . 53716 1 865 . 1 . 1 116 116 LYS HG3 H 1 0.812340209 0.01 . . . . . . . 204 LYS HG . 53716 1 866 . 1 . 1 116 116 LYS C C 13 173.6211548 0.01 . . . . . . . 204 LYS C . 53716 1 867 . 1 . 1 116 116 LYS CB C 13 32.71749115 0.01 . . . . . . . 204 LYS CB . 53716 1 868 . 1 . 1 116 116 LYS N N 15 119.4580319 0.01 . . . . . . . 204 LYS N . 53716 1 869 . 1 . 1 117 117 MET H H 1 8.115072323 0.01 . . . . . . . 205 MET H . 53716 1 870 . 1 . 1 117 117 MET HA H 1 4.103517194 0.01 . . . . . . . 205 MET HA . 53716 1 871 . 1 . 1 117 117 MET HB2 H 1 2.249154136 0.01 . . . . . . . 205 MET HB2 . 53716 1 872 . 1 . 1 117 117 MET HB3 H 1 1.884374417 0.01 . . . . . . . 205 MET HB3 . 53716 1 873 . 1 . 1 117 117 MET HG2 H 1 2.281005074 0.01 . . . . . . . 205 MET HG . 53716 1 874 . 1 . 1 117 117 MET HG3 H 1 2.281005074 0.01 . . . . . . . 205 MET HG . 53716 1 875 . 1 . 1 117 117 MET HE1 H 1 1.816193582 0.01 . . . . . . . 205 MET HE# . 53716 1 876 . 1 . 1 117 117 MET HE2 H 1 1.816193582 0.01 . . . . . . . 205 MET HE# . 53716 1 877 . 1 . 1 117 117 MET HE3 H 1 1.816193582 0.01 . . . . . . . 205 MET HE# . 53716 1 878 . 1 . 1 117 117 MET C C 13 175.4554138 0.01 . . . . . . . 205 MET C . 53716 1 879 . 1 . 1 117 117 MET CA C 13 59.62766239 0.01 . . . . . . . 205 MET CA . 53716 1 880 . 1 . 1 117 117 MET CB C 13 33.99650729 0.01 . . . . . . . 205 MET CB . 53716 1 881 . 1 . 1 117 117 MET N N 15 118.4648189 0.01 . . . . . . . 205 MET N . 53716 1 882 . 1 . 1 118 118 MET H H 1 8.652439009 0.01 . . . . . . . 206 MET H . 53716 1 883 . 1 . 1 118 118 MET HA H 1 3.775459936 0.01 . . . . . . . 206 MET HA . 53716 1 884 . 1 . 1 118 118 MET HB2 H 1 1.886310633 0.01 . . . . . . . 206 MET HB2 . 53716 1 885 . 1 . 1 118 118 MET HB3 H 1 2.275133855 0.01 . . . . . . . 206 MET HB3 . 53716 1 886 . 1 . 1 118 118 MET C C 13 175.0826874 0.01 . . . . . . . 206 MET C . 53716 1 887 . 1 . 1 118 118 MET CA C 13 59.85409802 0.01 . . . . . . . 206 MET CA . 53716 1 888 . 1 . 1 118 118 MET CB C 13 32.85891428 0.01 . . . . . . . 206 MET CB . 53716 1 889 . 1 . 1 118 118 MET N N 15 118.209375 0.01 . . . . . . . 206 MET N . 53716 1 890 . 1 . 1 119 119 GLU H H 1 8.401910689 0.01 . . . . . . . 207 GLU H . 53716 1 891 . 1 . 1 119 119 GLU HA H 1 3.648389479 0.01 . . . . . . . 207 GLU HA . 53716 1 892 . 1 . 1 119 119 GLU HB2 H 1 1.964455483 0.01 . . . . . . . 207 GLU HB . 53716 1 893 . 1 . 1 119 119 GLU HB3 H 1 1.964455483 0.01 . . . . . . . 207 GLU HB . 53716 1 894 . 1 . 1 119 119 GLU HG2 H 1 2.544943743 0.01 . . . . . . . 207 GLU HG . 53716 1 895 . 1 . 1 119 119 GLU HG3 H 1 2.544943743 0.01 . . . . . . . 207 GLU HG . 53716 1 896 . 1 . 1 119 119 GLU C C 13 175.6656952 0.01 . . . . . . . 207 GLU C . 53716 1 897 . 1 . 1 119 119 GLU CA C 13 60.61992035 0.01 . . . . . . . 207 GLU CA . 53716 1 898 . 1 . 1 119 119 GLU CB C 13 28.49537718 0.01 . . . . . . . 207 GLU CB . 53716 1 899 . 1 . 1 119 119 GLU N N 15 118.3889506 0.01 . . . . . . . 207 GLU N . 53716 1 900 . 1 . 1 120 120 ARG H H 1 7.207452439 0.01 . . . . . . . 208 ARG H . 53716 1 901 . 1 . 1 120 120 ARG HA H 1 4.104092643 0.01 . . . . . . . 208 ARG HA . 53716 1 902 . 1 . 1 120 120 ARG HB2 H 1 1.966522842 0.01 . . . . . . . 208 ARG HB2 . 53716 1 903 . 1 . 1 120 120 ARG HB3 H 1 1.982449945 0.01 . . . . . . . 208 ARG HB3 . 53716 1 904 . 1 . 1 120 120 ARG HG2 H 1 0.8987170542 0.01 . . . . . . . 208 ARG HG . 53716 1 905 . 1 . 1 120 120 ARG HG3 H 1 0.8987170542 0.01 . . . . . . . 208 ARG HG . 53716 1 906 . 1 . 1 120 120 ARG CA C 13 58.51432515 0.01 . . . . . . . 208 ARG CA . 53716 1 907 . 1 . 1 120 120 ARG CB C 13 29.95810545 0.01 . . . . . . . 208 ARG CB . 53716 1 908 . 1 . 1 120 120 ARG CG C 13 26.9232251 0.01 . . . . . . . 208 ARG CG . 53716 1 909 . 1 . 1 120 120 ARG CD C 13 42.6767858 0.01 . . . . . . . 208 ARG CD . 53716 1 910 . 1 . 1 120 120 ARG N N 15 116.8434943 0.01 . . . . . . . 208 ARG N . 53716 1 911 . 1 . 1 121 121 VAL H H 1 8.155247259 0.01 . . . . . . . 209 VAL H . 53716 1 912 . 1 . 1 121 121 VAL HA H 1 3.663835998 0.01 . . . . . . . 209 VAL HA . 53716 1 913 . 1 . 1 121 121 VAL HB H 1 2.198471546 0.01 . . . . . . . 209 VAL HB . 53716 1 914 . 1 . 1 121 121 VAL HG11 H 1 1.208681522 0.01 . . . . . . . 209 VAL HG . 53716 1 915 . 1 . 1 121 121 VAL HG12 H 1 1.208681522 0.01 . . . . . . . 209 VAL HG . 53716 1 916 . 1 . 1 121 121 VAL HG13 H 1 1.208681522 0.01 . . . . . . . 209 VAL HG . 53716 1 917 . 1 . 1 121 121 VAL HG21 H 1 1.208681522 0.01 . . . . . . . 209 VAL HG . 53716 1 918 . 1 . 1 121 121 VAL HG22 H 1 1.208681522 0.01 . . . . . . . 209 VAL HG . 53716 1 919 . 1 . 1 121 121 VAL HG23 H 1 1.208681522 0.01 . . . . . . . 209 VAL HG . 53716 1 920 . 1 . 1 121 121 VAL CA C 13 66.09923739 0.01 . . . . . . . 209 VAL CA . 53716 1 921 . 1 . 1 121 121 VAL CB C 13 32.84042972 0.01 . . . . . . . 209 VAL CB . 53716 1 922 . 1 . 1 121 121 VAL CG1 C 13 20.98714225 0.01 . . . . . . . 209 VAL CG1 . 53716 1 923 . 1 . 1 121 121 VAL N N 15 119.068376 0.01 . . . . . . . 209 VAL N . 53716 1 924 . 1 . 1 122 122 VAL H H 1 9.00442627 0.01 . . . . . . . 210 VAL H . 53716 1 925 . 1 . 1 122 122 VAL HA H 1 3.569511976 0.01 . . . . . . . 210 VAL HA . 53716 1 926 . 1 . 1 122 122 VAL HB H 1 2.112244606 0.01 . . . . . . . 210 VAL HB . 53716 1 927 . 1 . 1 122 122 VAL HG11 H 1 0.8307747971 0.01 . . . . . . . 210 VAL HG1# . 53716 1 928 . 1 . 1 122 122 VAL HG12 H 1 0.8307747971 0.01 . . . . . . . 210 VAL HG1# . 53716 1 929 . 1 . 1 122 122 VAL HG13 H 1 0.8307747971 0.01 . . . . . . . 210 VAL HG1# . 53716 1 930 . 1 . 1 122 122 VAL HG21 H 1 0.9632986998 0.01 . . . . . . . 210 VAL HG2# . 53716 1 931 . 1 . 1 122 122 VAL HG22 H 1 0.9632986998 0.01 . . . . . . . 210 VAL HG2# . 53716 1 932 . 1 . 1 122 122 VAL HG23 H 1 0.9632986998 0.01 . . . . . . . 210 VAL HG2# . 53716 1 933 . 1 . 1 122 122 VAL C C 13 176.3865356 0.01 . . . . . . . 210 VAL C . 53716 1 934 . 1 . 1 122 122 VAL CA C 13 66.43730498 0.01 . . . . . . . 210 VAL CA . 53716 1 935 . 1 . 1 122 122 VAL N N 15 120.6204651 0.01 . . . . . . . 210 VAL N . 53716 1 936 . 1 . 1 123 123 GLU H H 1 8.035846105 0.01 . . . . . . . 211 GLU H . 53716 1 937 . 1 . 1 123 123 GLU HA H 1 3.566400269 0.01 . . . . . . . 211 GLU HA . 53716 1 938 . 1 . 1 123 123 GLU HB2 H 1 2.070800031 0.01 . . . . . . . 211 GLU HB2 . 53716 1 939 . 1 . 1 123 123 GLU C C 13 174.8363342 0.01 . . . . . . . 211 GLU C . 53716 1 940 . 1 . 1 123 123 GLU CA C 13 61.04477739 0.01 . . . . . . . 211 GLU CA . 53716 1 941 . 1 . 1 123 123 GLU CB C 13 29.65435392 0.01 . . . . . . . 211 GLU CB . 53716 1 942 . 1 . 1 123 123 GLU CG C 13 36.34258812 0.01 . . . . . . . 211 GLU CG . 53716 1 943 . 1 . 1 123 123 GLU N N 15 120.4787106 0.01 . . . . . . . 211 GLU N . 53716 1 944 . 1 . 1 124 124 GLN H H 1 7.074478711 0.01 . . . . . . . 212 GLN H . 53716 1 945 . 1 . 1 124 124 GLN HA H 1 3.905908356 0.01 . . . . . . . 212 GLN HA . 53716 1 946 . 1 . 1 124 124 GLN HB2 H 1 2.087846641 0.01 . . . . . . . 212 GLN HB . 53716 1 947 . 1 . 1 124 124 GLN HB3 H 1 2.087846641 0.01 . . . . . . . 212 GLN HB . 53716 1 948 . 1 . 1 124 124 GLN HG2 H 1 2.282767428 0.01 . . . . . . . 212 GLN HG2 . 53716 1 949 . 1 . 1 124 124 GLN CA C 13 59.10915414 0.01 . . . . . . . 212 GLN CA . 53716 1 950 . 1 . 1 124 124 GLN N N 15 115.3298809 0.01 . . . . . . . 212 GLN N . 53716 1 951 . 1 . 1 125 125 MET H H 1 8.242944073 0.01 . . . . . . . 213 MET H . 53716 1 952 . 1 . 1 125 125 MET HA H 1 4.518808949 0.01 . . . . . . . 213 MET HA . 53716 1 953 . 1 . 1 125 125 MET HB2 H 1 1.845611644 0.01 . . . . . . . 213 MET HB . 53716 1 954 . 1 . 1 125 125 MET HB3 H 1 1.845611644 0.01 . . . . . . . 213 MET HB . 53716 1 955 . 1 . 1 125 125 MET HE1 H 1 1.876210093 0.01 . . . . . . . 213 MET HE# . 53716 1 956 . 1 . 1 125 125 MET HE2 H 1 1.876210093 0.01 . . . . . . . 213 MET HE# . 53716 1 957 . 1 . 1 125 125 MET HE3 H 1 1.876210093 0.01 . . . . . . . 213 MET HE# . 53716 1 958 . 1 . 1 125 125 MET CA C 13 59.54842007 0.01 . . . . . . . 213 MET CA . 53716 1 959 . 1 . 1 125 125 MET CB C 13 31.39907589 0.01 . . . . . . . 213 MET CB . 53716 1 960 . 1 . 1 125 125 MET N N 15 119.0461618 0.01 . . . . . . . 213 MET N . 53716 1 961 . 1 . 1 126 126 CYS H H 1 9.117665828 0.01 . . . . . . . 214 CYS H . 53716 1 962 . 1 . 1 126 126 CYS HA H 1 4.27760993 0.01 . . . . . . . 214 CYS HA . 53716 1 963 . 1 . 1 126 126 CYS HB2 H 1 3.473375559 0.01 . . . . . . . 214 CYS HB2 . 53716 1 964 . 1 . 1 126 126 CYS HB3 H 1 2.756877661 0.01 . . . . . . . 214 CYS HB3 . 53716 1 965 . 1 . 1 126 126 CYS CA C 13 60.11540975 0.01 . . . . . . . 214 CYS CA . 53716 1 966 . 1 . 1 126 126 CYS CB C 13 41.92427206 0.01 . . . . . . . 214 CYS CB . 53716 1 967 . 1 . 1 126 126 CYS N N 15 119.3243823 0.01 . . . . . . . 214 CYS N . 53716 1 968 . 1 . 1 127 127 VAL H H 1 8.352604622 0.01 . . . . . . . 215 VAL H . 53716 1 969 . 1 . 1 127 127 VAL HA H 1 3.470202618 0.01 . . . . . . . 215 VAL HA . 53716 1 970 . 1 . 1 127 127 VAL HB H 1 2.191819549 0.01 . . . . . . . 215 VAL HB . 53716 1 971 . 1 . 1 127 127 VAL HG11 H 1 0.9606657028 0.01 . . . . . . . 215 VAL HG1# . 53716 1 972 . 1 . 1 127 127 VAL HG12 H 1 0.9606657028 0.01 . . . . . . . 215 VAL HG1# . 53716 1 973 . 1 . 1 127 127 VAL HG13 H 1 0.9606657028 0.01 . . . . . . . 215 VAL HG1# . 53716 1 974 . 1 . 1 127 127 VAL HG21 H 1 0.9176328372 0.01 . . . . . . . 215 VAL HG2# . 53716 1 975 . 1 . 1 127 127 VAL HG22 H 1 0.9176328372 0.01 . . . . . . . 215 VAL HG2# . 53716 1 976 . 1 . 1 127 127 VAL HG23 H 1 0.9176328372 0.01 . . . . . . . 215 VAL HG2# . 53716 1 977 . 1 . 1 127 127 VAL CA C 13 67.68269629 0.01 . . . . . . . 215 VAL CA . 53716 1 978 . 1 . 1 127 127 VAL CB C 13 31.86693487 0.01 . . . . . . . 215 VAL CB . 53716 1 979 . 1 . 1 127 127 VAL CG2 C 13 21.37877784 0.01 . . . . . . . 215 VAL CG2 . 53716 1 980 . 1 . 1 127 127 VAL N N 15 123.4045748 0.01 . . . . . . . 215 VAL N . 53716 1 981 . 1 . 1 128 128 THR H H 1 8.034797168 0.01 . . . . . . . 216 THR H . 53716 1 982 . 1 . 1 128 128 THR HA H 1 3.843604997 0.01 . . . . . . . 216 THR HA . 53716 1 983 . 1 . 1 128 128 THR HB H 1 4.165334772 0.01 . . . . . . . 216 THR HB . 53716 1 984 . 1 . 1 128 128 THR HG1 H 1 4.699758053 0.01 . . . . . . . 216 THR HG1 . 53716 1 985 . 1 . 1 128 128 THR CA C 13 67.06919139 0.01 . . . . . . . 216 THR CA . 53716 1 986 . 1 . 1 128 128 THR CB C 13 68.54226218 0.01 . . . . . . . 216 THR CB . 53716 1 987 . 1 . 1 128 128 THR N N 15 117.9677302 0.01 . . . . . . . 216 THR N . 53716 1 988 . 1 . 1 129 129 GLN H H 1 8.646286967 0.01 . . . . . . . 217 GLN H . 53716 1 989 . 1 . 1 129 129 GLN HA H 1 4.153037036 0.01 . . . . . . . 217 GLN HA . 53716 1 990 . 1 . 1 129 129 GLN HB2 H 1 2.101209216 0.01 . . . . . . . 217 GLN HB . 53716 1 991 . 1 . 1 129 129 GLN HB3 H 1 2.101209216 0.01 . . . . . . . 217 GLN HB . 53716 1 992 . 1 . 1 129 129 GLN CA C 13 58.67013327 0.01 . . . . . . . 217 GLN CA . 53716 1 993 . 1 . 1 129 129 GLN CB C 13 29.4588423 0.01 . . . . . . . 217 GLN CB . 53716 1 994 . 1 . 1 129 129 GLN CG C 13 33.81438943 0.01 . . . . . . . 217 GLN CG . 53716 1 995 . 1 . 1 129 129 GLN N N 15 122.3983507 0.01 . . . . . . . 217 GLN N . 53716 1 996 . 1 . 1 130 130 TYR H H 1 8.438920005 0.01 . . . . . . . 218 TYR H . 53716 1 997 . 1 . 1 130 130 TYR HA H 1 2.852170072 0.01 . . . . . . . 218 TYR HA . 53716 1 998 . 1 . 1 130 130 TYR HB2 H 1 2.684818952 0.01 . . . . . . . 218 TYR HB2 . 53716 1 999 . 1 . 1 130 130 TYR HB3 H 1 3.312802315 0.01 . . . . . . . 218 TYR HB3 . 53716 1 1000 . 1 . 1 130 130 TYR CA C 13 62.05977918 0.01 . . . . . . . 218 TYR CA . 53716 1 1001 . 1 . 1 130 130 TYR CB C 13 37.26023825 0.01 . . . . . . . 218 TYR CB . 53716 1 1002 . 1 . 1 130 130 TYR N N 15 119.8753623 0.01 . . . . . . . 218 TYR N . 53716 1 1003 . 1 . 1 131 131 GLN H H 1 8.157035074 0.01 . . . . . . . 219 GLN H . 53716 1 1004 . 1 . 1 131 131 GLN HA H 1 3.651240172 0.01 . . . . . . . 219 GLN HA . 53716 1 1005 . 1 . 1 131 131 GLN HB2 H 1 2.185765213 0.01 . . . . . . . 219 GLN HB2 . 53716 1 1006 . 1 . 1 131 131 GLN HB3 H 1 2.003073771 0.01 . . . . . . . 219 GLN HB3 . 53716 1 1007 . 1 . 1 131 131 GLN CA C 13 59.12639621 0.01 . . . . . . . 219 GLN CA . 53716 1 1008 . 1 . 1 131 131 GLN CB C 13 27.6843345 0.01 . . . . . . . 219 GLN CB . 53716 1 1009 . 1 . 1 131 131 GLN CG C 13 33.91367197 0.01 . . . . . . . 219 GLN CG . 53716 1 1010 . 1 . 1 131 131 GLN N N 15 119.6550981 0.01 . . . . . . . 219 GLN N . 53716 1 1011 . 1 . 1 132 132 LYS H H 1 7.886519722 0.01 . . . . . . . 220 LYS H . 53716 1 1012 . 1 . 1 132 132 LYS HA H 1 4.075012802 0.01 . . . . . . . 220 LYS HA . 53716 1 1013 . 1 . 1 132 132 LYS HB2 H 1 1.989760876 0.01 . . . . . . . 220 LYS HB2 . 53716 1 1014 . 1 . 1 132 132 LYS HB3 H 1 2.01106596 0.01 . . . . . . . 220 LYS HB3 . 53716 1 1015 . 1 . 1 132 132 LYS HG2 H 1 1.294327021 0.01 . . . . . . . 220 LYS HG2 . 53716 1 1016 . 1 . 1 132 132 LYS CA C 13 59.24708532 0.01 . . . . . . . 220 LYS CA . 53716 1 1017 . 1 . 1 132 132 LYS CB C 13 31.93447766 0.01 . . . . . . . 220 LYS CB . 53716 1 1018 . 1 . 1 132 132 LYS CD C 13 29.66005321 0.01 . . . . . . . 220 LYS CD . 53716 1 1019 . 1 . 1 132 132 LYS N N 15 118.956024 0.01 . . . . . . . 220 LYS N . 53716 1 1020 . 1 . 1 133 133 GLU H H 1 8.350979681 0.01 . . . . . . . 221 GLU H . 53716 1 1021 . 1 . 1 133 133 GLU HA H 1 4.271904468 0.01 . . . . . . . 221 GLU HA . 53716 1 1022 . 1 . 1 133 133 GLU HB2 H 1 1.51990819 0.01 . . . . . . . 221 GLU HB2 . 53716 1 1023 . 1 . 1 133 133 GLU HB3 H 1 2.028657305 0.01 . . . . . . . 221 GLU HB3 . 53716 1 1024 . 1 . 1 133 133 GLU C C 13 172.9351361 0.01 . . . . . . . 221 GLU C . 53716 1 1025 . 1 . 1 133 133 GLU CA C 13 57.83504936 0.01 . . . . . . . 221 GLU CA . 53716 1 1026 . 1 . 1 133 133 GLU CB C 13 29.93710219 0.01 . . . . . . . 221 GLU CB . 53716 1 1027 . 1 . 1 133 133 GLU CG C 13 33.90571177 0.01 . . . . . . . 221 GLU CG . 53716 1 1028 . 1 . 1 133 133 GLU N N 15 116.8892246 0.01 . . . . . . . 221 GLU N . 53716 1 1029 . 1 . 1 134 134 SER H H 1 8.216705407 0.01 . . . . . . . 222 SER H . 53716 1 1030 . 1 . 1 134 134 SER HA H 1 3.892554414 0.01 . . . . . . . 222 SER HA . 53716 1 1031 . 1 . 1 134 134 SER HB2 H 1 3.527910906 0.01 . . . . . . . 222 SER HB2 . 53716 1 1032 . 1 . 1 134 134 SER HB3 H 1 3.233804172 0.01 . . . . . . . 222 SER HB3 . 53716 1 1033 . 1 . 1 134 134 SER C C 13 172.8141599 0.01 . . . . . . . 222 SER C . 53716 1 1034 . 1 . 1 134 134 SER CA C 13 61.05306432 0.01 . . . . . . . 222 SER CA . 53716 1 1035 . 1 . 1 134 134 SER CB C 13 62.83052924 0.01 . . . . . . . 222 SER CB . 53716 1 1036 . 1 . 1 134 134 SER N N 15 114.9341155 0.01 . . . . . . . 222 SER N . 53716 1 1037 . 1 . 1 135 135 GLN H H 1 7.544265584 0.01 . . . . . . . 223 GLN H . 53716 1 1038 . 1 . 1 135 135 GLN HA H 1 4.069554421 0.01 . . . . . . . 223 GLN HA . 53716 1 1039 . 1 . 1 135 135 GLN HB2 H 1 2.012216001 0.01 . . . . . . . 223 GLN HB . 53716 1 1040 . 1 . 1 135 135 GLN HB3 H 1 2.012216001 0.01 . . . . . . . 223 GLN HB . 53716 1 1041 . 1 . 1 135 135 GLN HG2 H 1 2.352441674 0.01 . . . . . . . 223 GLN HG . 53716 1 1042 . 1 . 1 135 135 GLN HG3 H 1 2.352441674 0.01 . . . . . . . 223 GLN HG . 53716 1 1043 . 1 . 1 135 135 GLN C C 13 174.450546 0.01 . . . . . . . 223 GLN C . 53716 1 1044 . 1 . 1 135 135 GLN CA C 13 57.9724854 0.01 . . . . . . . 223 GLN CA . 53716 1 1045 . 1 . 1 135 135 GLN CB C 13 28.35115446 0.01 . . . . . . . 223 GLN CB . 53716 1 1046 . 1 . 1 135 135 GLN N N 15 120.7029586 0.01 . . . . . . . 223 GLN N . 53716 1 1047 . 1 . 1 136 136 ALA H H 1 7.534524252 0.01 . . . . . . . 224 ALA H . 53716 1 1048 . 1 . 1 136 136 ALA HA H 1 4.05849343 0.01 . . . . . . . 224 ALA HA . 53716 1 1049 . 1 . 1 136 136 ALA HB1 H 1 1.304181579 0.01 . . . . . . . 224 ALA HB . 53716 1 1050 . 1 . 1 136 136 ALA HB2 H 1 1.304181579 0.01 . . . . . . . 224 ALA HB . 53716 1 1051 . 1 . 1 136 136 ALA HB3 H 1 1.304181579 0.01 . . . . . . . 224 ALA HB . 53716 1 1052 . 1 . 1 136 136 ALA C C 13 175.9764703 0.01 . . . . . . . 224 ALA C . 53716 1 1053 . 1 . 1 136 136 ALA CA C 13 53.90963629 0.01 . . . . . . . 224 ALA CA . 53716 1 1054 . 1 . 1 136 136 ALA CB C 13 18.46066493 0.01 . . . . . . . 224 ALA CB . 53716 1 1055 . 1 . 1 136 136 ALA N N 15 120.8988249 0.01 . . . . . . . 224 ALA N . 53716 1 1056 . 1 . 1 137 137 TYR H H 1 7.838347764 0.01 . . . . . . . 225 TYR H . 53716 1 1057 . 1 . 1 137 137 TYR HA H 1 4.170443149 0.01 . . . . . . . 225 TYR HA . 53716 1 1058 . 1 . 1 137 137 TYR HB3 H 1 2.796458233 0.01 . . . . . . . 225 TYR HB3 . 53716 1 1059 . 1 . 1 137 137 TYR HD1 H 1 7.091555119 0.01 . . . . . . . 225 TYR HD1 . 53716 1 1060 . 1 . 1 137 137 TYR HE1 H 1 6.665097713 0.01 . . . . . . . 225 TYR HE1 . 53716 1 1061 . 1 . 1 137 137 TYR CA C 13 59.74837746 0.01 . . . . . . . 225 TYR CA . 53716 1 1062 . 1 . 1 137 137 TYR CB C 13 38.621003 0.01 . . . . . . . 225 TYR CB . 53716 1 1063 . 1 . 1 137 137 TYR N N 15 118.6892878 0.01 . . . . . . . 225 TYR N . 53716 1 1064 . 1 . 1 138 138 TYR H H 1 8.008851356 0.01 . . . . . . . 226 TYR H . 53716 1 1065 . 1 . 1 138 138 TYR HA H 1 4.246659892 0.01 . . . . . . . 226 TYR HA . 53716 1 1066 . 1 . 1 138 138 TYR HB2 H 1 3.197368972 0.01 . . . . . . . 226 TYR HB . 53716 1 1067 . 1 . 1 138 138 TYR HB3 H 1 3.197368972 0.01 . . . . . . . 226 TYR HB . 53716 1 1068 . 1 . 1 138 138 TYR CA C 13 59.2177984 0.01 . . . . . . . 226 TYR CA . 53716 1 1069 . 1 . 1 138 138 TYR CB C 13 38.68358027 0.01 . . . . . . . 226 TYR CB . 53716 1 1070 . 1 . 1 138 138 TYR N N 15 120.3590507 0.01 . . . . . . . 226 TYR N . 53716 1 1071 . 1 . 1 139 139 GLU H H 1 8.002833433 0.01 . . . . . . . 227 GLU H . 53716 1 1072 . 1 . 1 139 139 GLU HA H 1 4.142390362 0.01 . . . . . . . 227 GLU HA . 53716 1 1073 . 1 . 1 139 139 GLU HB2 H 1 1.986357425 0.01 . . . . . . . 227 GLU HB . 53716 1 1074 . 1 . 1 139 139 GLU HB3 H 1 1.986357425 0.01 . . . . . . . 227 GLU HB . 53716 1 1075 . 1 . 1 139 139 GLU CA C 13 57.13978812 0.01 . . . . . . . 227 GLU CA . 53716 1 1076 . 1 . 1 139 139 GLU CB C 13 29.78015087 0.01 . . . . . . . 227 GLU CB . 53716 1 1077 . 1 . 1 139 139 GLU N N 15 120.3408143 0.01 . . . . . . . 227 GLU N . 53716 1 1078 . 1 . 1 140 140 GLY H H 1 7.940448868 0.01 . . . . . . . 228 GLY H . 53716 1 1079 . 1 . 1 140 140 GLY HA2 H 1 3.792036934 0.01 . . . . . . . 228 GLY HA . 53716 1 1080 . 1 . 1 140 140 GLY HA3 H 1 3.792036934 0.01 . . . . . . . 228 GLY HA . 53716 1 1081 . 1 . 1 140 140 GLY C C 13 171.509201 0.01 . . . . . . . 228 GLY C . 53716 1 1082 . 1 . 1 140 140 GLY CA C 13 45.53093663 0.01 . . . . . . . 228 GLY CA . 53716 1 1083 . 1 . 1 140 140 GLY N N 15 108.4740728 0.01 . . . . . . . 228 GLY N . 53716 1 1084 . 1 . 1 141 141 ARG H H 1 7.827131172 0.01 . . . . . . . 229 ARG H . 53716 1 1085 . 1 . 1 141 141 ARG HA H 1 4.306487855 0.01 . . . . . . . 229 ARG HA . 53716 1 1086 . 1 . 1 141 141 ARG HB2 H 1 1.664919765 0.01 . . . . . . . 229 ARG HB . 53716 1 1087 . 1 . 1 141 141 ARG HB3 H 1 1.664919765 0.01 . . . . . . . 229 ARG HB . 53716 1 1088 . 1 . 1 141 141 ARG HG2 H 1 1.599106598 0.01 . . . . . . . 229 ARG HG2 . 53716 1 1089 . 1 . 1 141 141 ARG HD2 H 1 2.797853458 0.01 . . . . . . . 229 ARG HD2 . 53716 1 1090 . 1 . 1 141 141 ARG CA C 13 55.92963131 0.01 . . . . . . . 229 ARG CA . 53716 1 1091 . 1 . 1 141 141 ARG CB C 13 31.15016195 0.01 . . . . . . . 229 ARG CB . 53716 1 1092 . 1 . 1 141 141 ARG CG C 13 27.11149809 0.01 . . . . . . . 229 ARG CG . 53716 1 1093 . 1 . 1 141 141 ARG CD C 13 43.61039542 0.01 . . . . . . . 229 ARG CD . 53716 1 1094 . 1 . 1 141 141 ARG N N 15 119.8240712 0.01 . . . . . . . 229 ARG N . 53716 1 1095 . 1 . 1 142 142 SER H H 1 8.296498629 0.01 . . . . . . . 230 SER H . 53716 1 1096 . 1 . 1 142 142 SER HA H 1 4.357367313 0.01 . . . . . . . 230 SER HA . 53716 1 1097 . 1 . 1 142 142 SER HB2 H 1 3.848971046 0.01 . . . . . . . 230 SER HB . 53716 1 1098 . 1 . 1 142 142 SER HB3 H 1 3.848971046 0.01 . . . . . . . 230 SER HB . 53716 1 1099 . 1 . 1 142 142 SER CA C 13 58.33689176 0.01 . . . . . . . 230 SER CA . 53716 1 1100 . 1 . 1 142 142 SER CB C 13 64.07385564 0.01 . . . . . . . 230 SER CB . 53716 1 1101 . 1 . 1 142 142 SER N N 15 117.3259355 0.01 . . . . . . . 230 SER N . 53716 1 1102 . 1 . 1 143 143 SER H H 1 7.915195686 0.01 . . . . . . . 231 SER H . 53716 1 1103 . 1 . 1 143 143 SER HA H 1 4.298130957 0.01 . . . . . . . 231 SER HA . 53716 1 1104 . 1 . 1 143 143 SER HB2 H 1 3.80078615 0.01 . . . . . . . 231 SER HB . 53716 1 1105 . 1 . 1 143 143 SER HB3 H 1 3.80078615 0.01 . . . . . . . 231 SER HB . 53716 1 1106 . 1 . 1 143 143 SER CA C 13 60.01802342 0.01 . . . . . . . 231 SER CA . 53716 1 1107 . 1 . 1 143 143 SER CB C 13 64.90544868 0.01 . . . . . . . 231 SER CB . 53716 1 1108 . 1 . 1 143 143 SER N N 15 122.8398815 0.01 . . . . . . . 231 SER N . 53716 1 stop_ save_