data_15824 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15824 _Entry.Title ; Bank Vole Prion Protein (121-231) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-06-25 _Entry.Accession_date 2008-06-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Barbara Christen . . . 15824 2 Simone Hornemann . . . 15824 3 Kurt Wuthrich . . . 15824 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Prion Protein' . 15824 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15824 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 364 15824 '15N chemical shifts' 135 15824 '1H chemical shifts' 414 15824 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-02-24 2008-06-25 update BMRB 'complete entry citation' 15824 1 . . 2008-09-12 2008-06-25 original author 'original release' 15824 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15824 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18773909 _Citation.Full_citation . _Citation.Title 'NMR Structure of the Bank Vole Prion Protein at 20 degrees C Contains a Structured Loop of Residues 165-171' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 383 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 306 _Citation.Page_last 312 _Citation.Year 2008 _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.Entry_ID _Citation_author.Citation_ID 1 Barbara Christen . . . 15824 1 2 Daniel Perez . R. . 15824 1 3 Simone Hornemann . . . 15824 1 4 Kurt Wuthrich . . . 15824 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15824 _Assembly.ID 1 _Assembly.Name 'Prion Protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Prion Protein' 1 $Prion_Protein A . yes native no no . . . 15824 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_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_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulphide 1 . 1 'Prion Protein' 1 CYS 61 61 SG . 1 'Prion Protein' 1 CYS 96 96 SG . 'Prion Protein' 61 cys SG . 'Prion Protein' 96 cys SG 15824 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Prion_Protein _Entity.Sf_category entity _Entity.Sf_framecode Prion_Protein _Entity.Entry_ID 15824 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Prion_Protein _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSVVGGLGGYMLGSAMSRPM IHFGNDWEDRYYRENMNRYP NQVYYRPVDQYNNQNNFVHD CVNITIKQHTVTTTTKGENF TETDVKMMERVVEQMCVTQY QKESQAYYEGRSS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15845 . Prion_Protein . . . . . 100.00 114 97.35 98.23 2.15e-75 . . . . 15824 1 2 no PDB 1AG2 . "Prion Protein Domain Prp(121-231) From Mouse, Nmr, 2 Minimized Average Structure" . . . . . 90.27 103 98.04 99.02 5.81e-68 . . . . 15824 1 3 no PDB 2K56 . "Bank Vole Prion Protein (121-231)" . . . . . 100.00 113 100.00 100.00 4.97e-78 . . . . 15824 1 4 no PDB 2K5O . "Mouse Prion Protein (121-231) With Mutation S170n" . . . . . 100.00 114 97.35 98.23 2.15e-75 . . . . 15824 1 5 no GB AAL57231 . "prion protein [Myodes glareolus]" . . . . . 100.00 248 99.12 100.00 8.54e-77 . . . . 15824 1 6 no GB AAL57232 . "prion protein [Microtus agrestis]" . . . . . 100.00 240 98.23 99.12 4.91e-76 . . . . 15824 1 7 no GB ABR23642 . "prion protein [Peromyscus polionotus]" . . . . . 100.00 244 97.35 99.12 1.40e-75 . . . . 15824 1 8 no GB ACJ06784 . "major prion protein precursor, partial [Peromyscus leucopus]" . . . . . 62.83 179 97.18 98.59 1.35e-43 . . . . 15824 1 9 no GB ACV85679 . "prion protein [Myodes gapperi]" . . . . . 100.00 255 98.23 100.00 4.81e-76 . . . . 15824 1 10 no REF XP_005365625 . "PREDICTED: major prion protein [Microtus ochrogaster]" . . . . . 100.00 254 97.35 99.12 2.83e-75 . . . . 15824 1 11 no REF XP_006984054 . "PREDICTED: major prion protein [Peromyscus maniculatus bairdii]" . . . . . 100.00 254 97.35 99.12 1.89e-75 . . . . 15824 1 12 no REF XP_007609107 . "PREDICTED: LOW QUALITY PROTEIN: major prion protein [Cricetulus griseus]" . . . . . 91.15 249 97.09 99.03 3.33e-67 . . . . 15824 1 stop_ 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 1 119 GLY . 15824 1 2 120 SER . 15824 1 3 121 VAL . 15824 1 4 122 VAL . 15824 1 5 123 GLY . 15824 1 6 124 GLY . 15824 1 7 125 LEU . 15824 1 8 126 GLY . 15824 1 9 127 GLY . 15824 1 10 128 TYR . 15824 1 11 129 MET . 15824 1 12 130 LEU . 15824 1 13 131 GLY . 15824 1 14 132 SER . 15824 1 15 133 ALA . 15824 1 16 134 MET . 15824 1 17 135 SER . 15824 1 18 136 ARG . 15824 1 19 137 PRO . 15824 1 20 138 MET . 15824 1 21 139 ILE . 15824 1 22 140 HIS . 15824 1 23 141 PHE . 15824 1 24 142 GLY . 15824 1 25 143 ASN . 15824 1 26 144 ASP . 15824 1 27 145 TRP . 15824 1 28 146 GLU . 15824 1 29 147 ASP . 15824 1 30 148 ARG . 15824 1 31 149 TYR . 15824 1 32 150 TYR . 15824 1 33 151 ARG . 15824 1 34 152 GLU . 15824 1 35 153 ASN . 15824 1 36 154 MET . 15824 1 37 155 ASN . 15824 1 38 156 ARG . 15824 1 39 157 TYR . 15824 1 40 158 PRO . 15824 1 41 159 ASN . 15824 1 42 160 GLN . 15824 1 43 161 VAL . 15824 1 44 162 TYR . 15824 1 45 163 TYR . 15824 1 46 164 ARG . 15824 1 47 165 PRO . 15824 1 48 166 VAL . 15824 1 49 167 ASP . 15824 1 50 168 GLN . 15824 1 51 169 TYR . 15824 1 52 170 ASN . 15824 1 53 171 ASN . 15824 1 54 172 GLN . 15824 1 55 173 ASN . 15824 1 56 174 ASN . 15824 1 57 175 PHE . 15824 1 58 176 VAL . 15824 1 59 177 HIS . 15824 1 60 178 ASP . 15824 1 61 179 CYS . 15824 1 62 180 VAL . 15824 1 63 181 ASN . 15824 1 64 182 ILE . 15824 1 65 183 THR . 15824 1 66 184 ILE . 15824 1 67 185 LYS . 15824 1 68 186 GLN . 15824 1 69 187 HIS . 15824 1 70 188 THR . 15824 1 71 189 VAL . 15824 1 72 190 THR . 15824 1 73 191 THR . 15824 1 74 192 THR . 15824 1 75 193 THR . 15824 1 76 194 LYS . 15824 1 77 195 GLY . 15824 1 78 196 GLU . 15824 1 79 197 ASN . 15824 1 80 198 PHE . 15824 1 81 199 THR . 15824 1 82 200 GLU . 15824 1 83 201 THR . 15824 1 84 202 ASP . 15824 1 85 203 VAL . 15824 1 86 204 LYS . 15824 1 87 205 MET . 15824 1 88 206 MET . 15824 1 89 207 GLU . 15824 1 90 208 ARG . 15824 1 91 209 VAL . 15824 1 92 210 VAL . 15824 1 93 211 GLU . 15824 1 94 212 GLN . 15824 1 95 213 MET . 15824 1 96 214 CYS . 15824 1 97 215 VAL . 15824 1 98 216 THR . 15824 1 99 217 GLN . 15824 1 100 218 TYR . 15824 1 101 219 GLN . 15824 1 102 220 LYS . 15824 1 103 221 GLU . 15824 1 104 222 SER . 15824 1 105 223 GLN . 15824 1 106 224 ALA . 15824 1 107 225 TYR . 15824 1 108 226 TYR . 15824 1 109 227 GLU . 15824 1 110 228 GLY . 15824 1 111 229 ARG . 15824 1 112 230 SER . 15824 1 113 231 SER . 15824 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 15824 1 . SER 2 2 15824 1 . VAL 3 3 15824 1 . VAL 4 4 15824 1 . GLY 5 5 15824 1 . GLY 6 6 15824 1 . LEU 7 7 15824 1 . GLY 8 8 15824 1 . GLY 9 9 15824 1 . TYR 10 10 15824 1 . MET 11 11 15824 1 . LEU 12 12 15824 1 . GLY 13 13 15824 1 . SER 14 14 15824 1 . ALA 15 15 15824 1 . MET 16 16 15824 1 . SER 17 17 15824 1 . ARG 18 18 15824 1 . PRO 19 19 15824 1 . MET 20 20 15824 1 . ILE 21 21 15824 1 . HIS 22 22 15824 1 . PHE 23 23 15824 1 . GLY 24 24 15824 1 . ASN 25 25 15824 1 . ASP 26 26 15824 1 . TRP 27 27 15824 1 . GLU 28 28 15824 1 . ASP 29 29 15824 1 . ARG 30 30 15824 1 . TYR 31 31 15824 1 . TYR 32 32 15824 1 . ARG 33 33 15824 1 . GLU 34 34 15824 1 . ASN 35 35 15824 1 . MET 36 36 15824 1 . ASN 37 37 15824 1 . ARG 38 38 15824 1 . TYR 39 39 15824 1 . PRO 40 40 15824 1 . ASN 41 41 15824 1 . GLN 42 42 15824 1 . VAL 43 43 15824 1 . TYR 44 44 15824 1 . TYR 45 45 15824 1 . ARG 46 46 15824 1 . PRO 47 47 15824 1 . VAL 48 48 15824 1 . ASP 49 49 15824 1 . GLN 50 50 15824 1 . TYR 51 51 15824 1 . ASN 52 52 15824 1 . ASN 53 53 15824 1 . GLN 54 54 15824 1 . ASN 55 55 15824 1 . ASN 56 56 15824 1 . PHE 57 57 15824 1 . VAL 58 58 15824 1 . HIS 59 59 15824 1 . ASP 60 60 15824 1 . CYS 61 61 15824 1 . VAL 62 62 15824 1 . ASN 63 63 15824 1 . ILE 64 64 15824 1 . THR 65 65 15824 1 . ILE 66 66 15824 1 . LYS 67 67 15824 1 . GLN 68 68 15824 1 . HIS 69 69 15824 1 . THR 70 70 15824 1 . VAL 71 71 15824 1 . THR 72 72 15824 1 . THR 73 73 15824 1 . THR 74 74 15824 1 . THR 75 75 15824 1 . LYS 76 76 15824 1 . GLY 77 77 15824 1 . GLU 78 78 15824 1 . ASN 79 79 15824 1 . PHE 80 80 15824 1 . THR 81 81 15824 1 . GLU 82 82 15824 1 . THR 83 83 15824 1 . ASP 84 84 15824 1 . VAL 85 85 15824 1 . LYS 86 86 15824 1 . MET 87 87 15824 1 . MET 88 88 15824 1 . GLU 89 89 15824 1 . ARG 90 90 15824 1 . VAL 91 91 15824 1 . VAL 92 92 15824 1 . GLU 93 93 15824 1 . GLN 94 94 15824 1 . MET 95 95 15824 1 . CYS 96 96 15824 1 . VAL 97 97 15824 1 . THR 98 98 15824 1 . GLN 99 99 15824 1 . TYR 100 100 15824 1 . GLN 101 101 15824 1 . LYS 102 102 15824 1 . GLU 103 103 15824 1 . SER 104 104 15824 1 . GLN 105 105 15824 1 . ALA 106 106 15824 1 . TYR 107 107 15824 1 . TYR 108 108 15824 1 . GLU 109 109 15824 1 . GLY 110 110 15824 1 . ARG 111 111 15824 1 . SER 112 112 15824 1 . SER 113 113 15824 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15824 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Prion_Protein . 447135 organism . 'Clethrionomys glareolus' 'Bank vole' . . Eukaryota Metazoa Clethrionomys glareolus . . . . . . . . . . . . . . . . . . . . . 15824 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 15824 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Prion_Protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pRSETA . . . . . . 15824 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Sample.Sf_category sample _Sample.Sf_framecode 15N _Sample.Entry_ID 15824 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Prion Protein' '[U-99% 15N]' . . 1 $Prion_Protein . . 1 . . mM . . . . 15824 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15824 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15824 1 4 'sodium acetate' [U-2H] . . . . . . 10 . . mM . . . . 15824 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15824 1 6 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15824 1 stop_ save_ save_13C_15N _Sample.Sf_category sample _Sample.Sf_framecode 13C_15N _Sample.Entry_ID 15824 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Prion Protein' '[U-99% 13C; U-99% 15N]' . . 1 $Prion_Protein . . 1 . . mM . . . . 15824 2 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15824 2 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15824 2 4 'sodium acetate' [U-2H] . . . . . . 10 . . mM . . . . 15824 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15824 2 6 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 15824 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15824 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.01 . M 15824 1 pH 4.5 . pH 15824 1 pressure 1 . atm 15824 1 temperature 293.2 . K 15824 1 stop_ save_ ############################ # Computer software used # ############################ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 15824 _Software.ID 1 _Software.Name OPAL _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 15824 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15824 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15824 _Software.ID 2 _Software.Name CARA _Software.Version 1.5.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller, R.' . . 15824 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15824 2 stop_ save_ save_ATNOS_CANDID _Software.Sf_category software _Software.Sf_framecode ATNOS_CANDID _Software.Entry_ID 15824 _Software.ID 3 _Software.Name ATHNOS-CANDID _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 15824 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15824 3 'peak picking' 15824 3 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 15824 _Software.ID 4 _Software.Name DYANA _Software.Version 1.0.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Braun and Wuthrich' . . 15824 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15824 4 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 15824 _Software.ID 5 _Software.Name Molmol _Software.Version 2K.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 15824 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15824 5 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15824 _Software.ID 6 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15824 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15824 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15824 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15824 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15824 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 750 . . . 15824 1 2 spectrometer_2 Bruker Avance . 900 . . . 15824 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 15824 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $15N isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15824 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $13C_15N isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15824 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15824 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15824 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15824 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15824 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_bvPrP-BMRB.prot _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode bvPrP-BMRB.prot _Assigned_chem_shift_list.Entry_ID 15824 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' . . . 15824 1 2 '3D 1H-13C NOESY' . . . 15824 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 GLY CA C 13 43.282 0.3 . 1 . . . . 119 GLY CA . 15824 1 2 . 1 1 2 2 SER HA H 1 4.633 0.020 . 1 . . . . 120 SER HA . 15824 1 3 . 1 1 2 2 SER CA C 13 57.991 0.3 . 1 . . . . 120 SER CA . 15824 1 4 . 1 1 2 2 SER CB C 13 63.958 0.3 . 1 . . . . 120 SER CB . 15824 1 5 . 1 1 2 2 SER N N 15 115.746 0.3 . 1 . . . . 120 SER N . 15824 1 6 . 1 1 3 3 VAL HA H 1 4.221 0.020 . 1 . . . . 121 VAL HA . 15824 1 7 . 1 1 3 3 VAL HB H 1 2.088 0.020 . 1 . . . . 121 VAL HB . 15824 1 8 . 1 1 3 3 VAL CA C 13 62.267 0.3 . 1 . . . . 121 VAL CA . 15824 1 9 . 1 1 3 3 VAL CB C 13 32.709 0.3 . 1 . . . . 121 VAL CB . 15824 1 10 . 1 1 3 3 VAL CG1 C 13 20.517 0.3 . 1 . . . . 121 VAL CG1 . 15824 1 11 . 1 1 3 3 VAL CG2 C 13 21.122 0.3 . 1 . . . . 121 VAL CG2 . 15824 1 12 . 1 1 3 3 VAL N N 15 122.368 0.3 . 1 . . . . 121 VAL N . 15824 1 13 . 1 1 4 4 VAL HA H 1 4.135 0.020 . 1 . . . . 122 VAL HA . 15824 1 14 . 1 1 4 4 VAL HB H 1 2.068 0.020 . 1 . . . . 122 VAL HB . 15824 1 15 . 1 1 4 4 VAL CA C 13 62.460 0.3 . 1 . . . . 122 VAL CA . 15824 1 16 . 1 1 4 4 VAL CB C 13 32.566 0.3 . 1 . . . . 122 VAL CB . 15824 1 17 . 1 1 4 4 VAL CG1 C 13 20.970 0.3 . 1 . . . . 122 VAL CG1 . 15824 1 18 . 1 1 4 4 VAL CG2 C 13 21.080 0.3 . 1 . . . . 122 VAL CG2 . 15824 1 19 . 1 1 4 4 VAL N N 15 125.209 0.3 . 1 . . . . 122 VAL N . 15824 1 20 . 1 1 5 5 GLY CA C 13 45.266 0.3 . 1 . . . . 123 GLY CA . 15824 1 21 . 1 1 5 5 GLY N N 15 113.632 0.3 . 1 . . . . 123 GLY N . 15824 1 22 . 1 1 6 6 GLY CA C 13 45.274 0.3 . 1 . . . . 124 GLY CA . 15824 1 23 . 1 1 6 6 GLY N N 15 108.734 0.3 . 1 . . . . 124 GLY N . 15824 1 24 . 1 1 7 7 LEU HA H 1 4.409 0.020 . 1 . . . . 125 LEU HA . 15824 1 25 . 1 1 7 7 LEU HB2 H 1 1.583 0.020 . 2 . . . . 125 LEU HB2 . 15824 1 26 . 1 1 7 7 LEU HB3 H 1 1.669 0.020 . 2 . . . . 125 LEU HB3 . 15824 1 27 . 1 1 7 7 LEU HG H 1 1.558 0.020 . 1 . . . . 125 LEU HG . 15824 1 28 . 1 1 7 7 LEU CA C 13 54.832 0.3 . 1 . . . . 125 LEU CA . 15824 1 29 . 1 1 7 7 LEU CB C 13 42.424 0.3 . 1 . . . . 125 LEU CB . 15824 1 30 . 1 1 7 7 LEU CD1 C 13 24.604 0.3 . 1 . . . . 125 LEU CD1 . 15824 1 31 . 1 1 7 7 LEU CD2 C 13 23.498 0.3 . 1 . . . . 125 LEU CD2 . 15824 1 32 . 1 1 7 7 LEU CG C 13 26.999 0.3 . 1 . . . . 125 LEU CG . 15824 1 33 . 1 1 7 7 LEU N N 15 121.785 0.3 . 1 . . . . 125 LEU N . 15824 1 34 . 1 1 8 8 GLY HA2 H 1 3.931 0.020 . 1 . . . . 126 GLY HA2 . 15824 1 35 . 1 1 8 8 GLY CA C 13 46.232 0.3 . 1 . . . . 126 GLY CA . 15824 1 36 . 1 1 8 8 GLY N N 15 109.972 0.3 . 1 . . . . 126 GLY N . 15824 1 37 . 1 1 9 9 GLY HA2 H 1 3.972 0.020 . 1 . . . . 127 GLY HA2 . 15824 1 38 . 1 1 9 9 GLY CA C 13 45.074 0.3 . 1 . . . . 127 GLY CA . 15824 1 39 . 1 1 9 9 GLY N N 15 109.097 0.3 . 1 . . . . 127 GLY N . 15824 1 40 . 1 1 10 10 TYR HA H 1 4.487 0.020 . 1 . . . . 128 TYR HA . 15824 1 41 . 1 1 10 10 TYR HB2 H 1 2.967 0.020 . 2 . . . . 128 TYR HB2 . 15824 1 42 . 1 1 10 10 TYR HB3 H 1 2.871 0.020 . 2 . . . . 128 TYR HB3 . 15824 1 43 . 1 1 10 10 TYR CA C 13 58.051 0.3 . 1 . . . . 128 TYR CA . 15824 1 44 . 1 1 10 10 TYR CB C 13 40.048 0.3 . 1 . . . . 128 TYR CB . 15824 1 45 . 1 1 10 10 TYR CD1 C 13 134.234 0.3 . 1 . . . . 128 TYR CD1 . 15824 1 46 . 1 1 10 10 TYR CE1 C 13 119.653 0.3 . 1 . . . . 128 TYR CE1 . 15824 1 47 . 1 1 10 10 TYR N N 15 117.791 0.3 . 1 . . . . 128 TYR N . 15824 1 48 . 1 1 11 11 MET HA H 1 4.557 0.020 . 1 . . . . 129 MET HA . 15824 1 49 . 1 1 11 11 MET HB2 H 1 1.045 0.020 . 2 . . . . 129 MET HB2 . 15824 1 50 . 1 1 11 11 MET HB3 H 1 1.622 0.020 . 2 . . . . 129 MET HB3 . 15824 1 51 . 1 1 11 11 MET CA C 13 53.719 0.3 . 1 . . . . 129 MET CA . 15824 1 52 . 1 1 11 11 MET CB C 13 34.524 0.3 . 1 . . . . 129 MET CB . 15824 1 53 . 1 1 11 11 MET CE C 13 17.122 0.3 . 1 . . . . 129 MET CE . 15824 1 54 . 1 1 11 11 MET CG C 13 31.840 0.3 . 1 . . . . 129 MET CG . 15824 1 55 . 1 1 11 11 MET N N 15 121.330 0.3 . 1 . . . . 129 MET N . 15824 1 56 . 1 1 12 12 LEU HA H 1 4.468 0.020 . 1 . . . . 130 LEU HA . 15824 1 57 . 1 1 12 12 LEU HB2 H 1 0.993 0.020 . 2 . . . . 130 LEU HB2 . 15824 1 58 . 1 1 12 12 LEU HB3 H 1 1.641 0.020 . 2 . . . . 130 LEU HB3 . 15824 1 59 . 1 1 12 12 LEU HG H 1 1.422 0.020 . 1 . . . . 130 LEU HG . 15824 1 60 . 1 1 12 12 LEU CA C 13 53.331 0.3 . 1 . . . . 130 LEU CA . 15824 1 61 . 1 1 12 12 LEU CB C 13 43.365 0.3 . 1 . . . . 130 LEU CB . 15824 1 62 . 1 1 12 12 LEU CD1 C 13 21.603 0.3 . 1 . . . . 130 LEU CD1 . 15824 1 63 . 1 1 12 12 LEU CD2 C 13 25.774 0.3 . 1 . . . . 130 LEU CD2 . 15824 1 64 . 1 1 12 12 LEU CG C 13 25.845 0.3 . 1 . . . . 130 LEU CG . 15824 1 65 . 1 1 12 12 LEU N N 15 121.278 0.3 . 1 . . . . 130 LEU N . 15824 1 66 . 1 1 13 13 GLY HA2 H 1 4.468 0.020 . 1 . . . . 131 GLY HA2 . 15824 1 67 . 1 1 13 13 GLY CA C 13 44.981 0.3 . 1 . . . . 131 GLY CA . 15824 1 68 . 1 1 13 13 GLY N N 15 115.285 0.3 . 1 . . . . 131 GLY N . 15824 1 69 . 1 1 14 14 SER HA H 1 4.437 0.020 . 1 . . . . 132 SER HA . 15824 1 70 . 1 1 14 14 SER HB2 H 1 3.943 0.020 . 2 . . . . 132 SER HB2 . 15824 1 71 . 1 1 14 14 SER HB3 H 1 4.013 0.020 . 2 . . . . 132 SER HB3 . 15824 1 72 . 1 1 14 14 SER CA C 13 58.410 0.3 . 1 . . . . 132 SER CA . 15824 1 73 . 1 1 14 14 SER CB C 13 63.933 0.3 . 1 . . . . 132 SER CB . 15824 1 74 . 1 1 14 14 SER N N 15 113.668 0.3 . 1 . . . . 132 SER N . 15824 1 75 . 1 1 15 15 ALA HA H 1 4.448 0.020 . 1 . . . . 133 ALA HA . 15824 1 76 . 1 1 15 15 ALA CA C 13 52.871 0.3 . 1 . . . . 133 ALA CA . 15824 1 77 . 1 1 15 15 ALA CB C 13 18.314 0.3 . 1 . . . . 133 ALA CB . 15824 1 78 . 1 1 15 15 ALA N N 15 125.543 0.3 . 1 . . . . 133 ALA N . 15824 1 79 . 1 1 16 16 MET HA H 1 4.773 0.020 . 1 . . . . 134 MET HA . 15824 1 80 . 1 1 16 16 MET HB2 H 1 2.087 0.020 . 2 . . . . 134 MET HB2 . 15824 1 81 . 1 1 16 16 MET HB3 H 1 2.028 0.020 . 2 . . . . 134 MET HB3 . 15824 1 82 . 1 1 16 16 MET HG2 H 1 2.580 0.020 . 2 . . . . 134 MET HG2 . 15824 1 83 . 1 1 16 16 MET HG3 H 1 2.484 0.020 . 2 . . . . 134 MET HG3 . 15824 1 84 . 1 1 16 16 MET CA C 13 53.834 0.3 . 1 . . . . 134 MET CA . 15824 1 85 . 1 1 16 16 MET CB C 13 36.793 0.3 . 1 . . . . 134 MET CB . 15824 1 86 . 1 1 16 16 MET CE C 13 17.931 0.3 . 1 . . . . 134 MET CE . 15824 1 87 . 1 1 16 16 MET CG C 13 31.472 0.3 . 1 . . . . 134 MET CG . 15824 1 88 . 1 1 16 16 MET N N 15 121.580 0.3 . 1 . . . . 134 MET N . 15824 1 89 . 1 1 17 17 SER HA H 1 4.347 0.020 . 1 . . . . 135 SER HA . 15824 1 90 . 1 1 17 17 SER HB2 H 1 3.867 0.020 . 2 . . . . 135 SER HB2 . 15824 1 91 . 1 1 17 17 SER HB3 H 1 3.777 0.020 . 2 . . . . 135 SER HB3 . 15824 1 92 . 1 1 17 17 SER CA C 13 58.683 0.3 . 1 . . . . 135 SER CA . 15824 1 93 . 1 1 17 17 SER CB C 13 63.015 0.3 . 1 . . . . 135 SER CB . 15824 1 94 . 1 1 17 17 SER N N 15 116.004 0.3 . 1 . . . . 135 SER N . 15824 1 95 . 1 1 18 18 ARG HA H 1 4.432 0.020 . 1 . . . . 136 ARG HA . 15824 1 96 . 1 1 18 18 ARG HD2 H 1 3.193 0.020 . 2 . . . . 136 ARG HD2 . 15824 1 97 . 1 1 18 18 ARG HD3 H 1 3.164 0.020 . 2 . . . . 136 ARG HD3 . 15824 1 98 . 1 1 18 18 ARG HE H 1 6.866 0.020 . 1 . . . . 136 ARG HE . 15824 1 99 . 1 1 18 18 ARG HG2 H 1 1.697 0.020 . 2 . . . . 136 ARG HG2 . 15824 1 100 . 1 1 18 18 ARG HG3 H 1 1.720 0.020 . 2 . . . . 136 ARG HG3 . 15824 1 101 . 1 1 18 18 ARG CA C 13 54.971 0.3 . 1 . . . . 136 ARG CA . 15824 1 102 . 1 1 18 18 ARG CB C 13 28.878 0.3 . 1 . . . . 136 ARG CB . 15824 1 103 . 1 1 18 18 ARG CD C 13 43.797 0.3 . 1 . . . . 136 ARG CD . 15824 1 104 . 1 1 18 18 ARG CG C 13 29.295 0.3 . 1 . . . . 136 ARG CG . 15824 1 105 . 1 1 18 18 ARG N N 15 126.442 0.3 . 1 . . . . 136 ARG N . 15824 1 106 . 1 1 18 18 ARG NE N 15 85.823 0.3 . 1 . . . . 136 ARG NE . 15824 1 107 . 1 1 19 19 PRO HA H 1 4.469 0.020 . 1 . . . . 137 PRO HA . 15824 1 108 . 1 1 19 19 PRO HB2 H 1 1.816 0.020 . 2 . . . . 137 PRO HB2 . 15824 1 109 . 1 1 19 19 PRO HB3 H 1 2.280 0.020 . 2 . . . . 137 PRO HB3 . 15824 1 110 . 1 1 19 19 PRO HD2 H 1 3.716 0.020 . 2 . . . . 137 PRO HD2 . 15824 1 111 . 1 1 19 19 PRO HD3 H 1 3.970 0.020 . 2 . . . . 137 PRO HD3 . 15824 1 112 . 1 1 19 19 PRO HG2 H 1 2.060 0.020 . 2 . . . . 137 PRO HG2 . 15824 1 113 . 1 1 19 19 PRO HG3 H 1 2.080 0.020 . 2 . . . . 137 PRO HG3 . 15824 1 114 . 1 1 19 19 PRO CA C 13 62.234 0.3 . 1 . . . . 137 PRO CA . 15824 1 115 . 1 1 19 19 PRO CB C 13 32.272 0.3 . 1 . . . . 137 PRO CB . 15824 1 116 . 1 1 19 19 PRO CD C 13 50.584 0.3 . 1 . . . . 137 PRO CD . 15824 1 117 . 1 1 19 19 PRO CG C 13 27.288 0.3 . 1 . . . . 137 PRO CG . 15824 1 118 . 1 1 20 20 MET HA H 1 4.924 0.020 . 1 . . . . 138 MET HA . 15824 1 119 . 1 1 20 20 MET HB2 H 1 2.061 0.020 . 2 . . . . 138 MET HB2 . 15824 1 120 . 1 1 20 20 MET HB3 H 1 2.034 0.020 . 2 . . . . 138 MET HB3 . 15824 1 121 . 1 1 20 20 MET HG2 H 1 2.726 0.020 . 2 . . . . 138 MET HG2 . 15824 1 122 . 1 1 20 20 MET HG3 H 1 2.347 0.020 . 2 . . . . 138 MET HG3 . 15824 1 123 . 1 1 20 20 MET CA C 13 54.022 0.3 . 1 . . . . 138 MET CA . 15824 1 124 . 1 1 20 20 MET CB C 13 30.151 0.3 . 1 . . . . 138 MET CB . 15824 1 125 . 1 1 20 20 MET CE C 13 16.349 0.3 . 1 . . . . 138 MET CE . 15824 1 126 . 1 1 20 20 MET CG C 13 31.772 0.3 . 1 . . . . 138 MET CG . 15824 1 127 . 1 1 20 20 MET N N 15 122.179 0.3 . 1 . . . . 138 MET N . 15824 1 128 . 1 1 21 21 ILE HA H 1 3.862 0.020 . 1 . . . . 139 ILE HA . 15824 1 129 . 1 1 21 21 ILE HB H 1 0.801 0.020 . 1 . . . . 139 ILE HB . 15824 1 130 . 1 1 21 21 ILE HG12 H 1 0.939 0.020 . 2 . . . . 139 ILE HG12 . 15824 1 131 . 1 1 21 21 ILE HG13 H 1 0.768 0.020 . 2 . . . . 139 ILE HG13 . 15824 1 132 . 1 1 21 21 ILE CA C 13 59.404 0.3 . 1 . . . . 139 ILE CA . 15824 1 133 . 1 1 21 21 ILE CB C 13 38.971 0.3 . 1 . . . . 139 ILE CB . 15824 1 134 . 1 1 21 21 ILE CD1 C 13 12.494 0.3 . 1 . . . . 139 ILE CD1 . 15824 1 135 . 1 1 21 21 ILE CG1 C 13 26.550 0.3 . 1 . . . . 139 ILE CG1 . 15824 1 136 . 1 1 21 21 ILE CG2 C 13 17.041 0.3 . 1 . . . . 139 ILE CG2 . 15824 1 137 . 1 1 21 21 ILE N N 15 124.729 0.3 . 1 . . . . 139 ILE N . 15824 1 138 . 1 1 22 22 HIS HA H 1 4.956 0.020 . 1 . . . . 140 HIS HA . 15824 1 139 . 1 1 22 22 HIS HB2 H 1 3.335 0.020 . 2 . . . . 140 HIS HB2 . 15824 1 140 . 1 1 22 22 HIS HB3 H 1 2.988 0.020 . 2 . . . . 140 HIS HB3 . 15824 1 141 . 1 1 22 22 HIS HD2 H 1 7.268 0.020 . 1 . . . . 140 HIS HD2 . 15824 1 142 . 1 1 22 22 HIS HE1 H 1 8.632 0.020 . 1 . . . . 140 HIS HE1 . 15824 1 143 . 1 1 22 22 HIS CA C 13 54.215 0.3 . 1 . . . . 140 HIS CA . 15824 1 144 . 1 1 22 22 HIS CB C 13 29.439 0.3 . 1 . . . . 140 HIS CB . 15824 1 145 . 1 1 22 22 HIS CD2 C 13 121.217 0.3 . 1 . . . . 140 HIS CD2 . 15824 1 146 . 1 1 22 22 HIS CE1 C 13 137.662 0.3 . 1 . . . . 140 HIS CE1 . 15824 1 147 . 1 1 22 22 HIS N N 15 121.953 0.3 . 1 . . . . 140 HIS N . 15824 1 148 . 1 1 23 23 PHE HA H 1 4.290 0.020 . 1 . . . . 141 PHE HA . 15824 1 149 . 1 1 23 23 PHE HB2 H 1 2.829 0.020 . 2 . . . . 141 PHE HB2 . 15824 1 150 . 1 1 23 23 PHE HB3 H 1 3.313 0.020 . 2 . . . . 141 PHE HB3 . 15824 1 151 . 1 1 23 23 PHE HZ H 1 6.784 0.020 . 1 . . . . 141 PHE HZ . 15824 1 152 . 1 1 23 23 PHE CA C 13 59.645 0.3 . 1 . . . . 141 PHE CA . 15824 1 153 . 1 1 23 23 PHE CB C 13 40.799 0.3 . 1 . . . . 141 PHE CB . 15824 1 154 . 1 1 23 23 PHE CD1 C 13 133.403 0.3 . 1 . . . . 141 PHE CD1 . 15824 1 155 . 1 1 23 23 PHE CE1 C 13 132.440 0.3 . 1 . . . . 141 PHE CE1 . 15824 1 156 . 1 1 23 23 PHE CZ C 13 130.466 0.3 . 1 . . . . 141 PHE CZ . 15824 1 157 . 1 1 23 23 PHE N N 15 124.747 0.3 . 1 . . . . 141 PHE N . 15824 1 158 . 1 1 24 24 GLY HA2 H 1 4.156 0.020 . 1 . . . . 142 GLY HA2 . 15824 1 159 . 1 1 24 24 GLY CA C 13 45.673 0.3 . 1 . . . . 142 GLY CA . 15824 1 160 . 1 1 24 24 GLY N N 15 109.111 0.3 . 1 . . . . 142 GLY N . 15824 1 161 . 1 1 25 25 ASN HA H 1 4.925 0.020 . 1 . . . . 143 ASN HA . 15824 1 162 . 1 1 25 25 ASN HB2 H 1 2.751 0.020 . 2 . . . . 143 ASN HB2 . 15824 1 163 . 1 1 25 25 ASN HB3 H 1 2.731 0.020 . 2 . . . . 143 ASN HB3 . 15824 1 164 . 1 1 25 25 ASN HD21 H 1 7.612 0.020 . 1 . . . . 143 ASN HD21 . 15824 1 165 . 1 1 25 25 ASN HD22 H 1 7.474 0.020 . 1 . . . . 143 ASN HD22 . 15824 1 166 . 1 1 25 25 ASN CA C 13 52.629 0.3 . 1 . . . . 143 ASN CA . 15824 1 167 . 1 1 25 25 ASN CB C 13 41.505 0.3 . 1 . . . . 143 ASN CB . 15824 1 168 . 1 1 25 25 ASN N N 15 114.479 0.3 . 1 . . . . 143 ASN N . 15824 1 169 . 1 1 25 25 ASN ND2 N 15 115.932 0.3 . 1 . . . . 143 ASN ND2 . 15824 1 170 . 1 1 26 26 ASP HA H 1 4.476 0.020 . 1 . . . . 144 ASP HA . 15824 1 171 . 1 1 26 26 ASP CA C 13 57.815 0.3 . 1 . . . . 144 ASP CA . 15824 1 172 . 1 1 26 26 ASP CB C 13 40.950 0.3 . 1 . . . . 144 ASP CB . 15824 1 173 . 1 1 26 26 ASP N N 15 123.545 0.3 . 1 . . . . 144 ASP N . 15824 1 174 . 1 1 27 27 TRP HA H 1 4.257 0.020 . 1 . . . . 145 TRP HA . 15824 1 175 . 1 1 27 27 TRP HD1 H 1 7.382 0.020 . 1 . . . . 145 TRP HD1 . 15824 1 176 . 1 1 27 27 TRP HE1 H 1 10.249 0.020 . 1 . . . . 145 TRP HE1 . 15824 1 177 . 1 1 27 27 TRP HE3 H 1 7.377 0.020 . 1 . . . . 145 TRP HE3 . 15824 1 178 . 1 1 27 27 TRP HH2 H 1 6.913 0.020 . 1 . . . . 145 TRP HH2 . 15824 1 179 . 1 1 27 27 TRP HZ2 H 1 7.462 0.020 . 1 . . . . 145 TRP HZ2 . 15824 1 180 . 1 1 27 27 TRP HZ3 H 1 6.746 0.020 . 1 . . . . 145 TRP HZ3 . 15824 1 181 . 1 1 27 27 TRP CA C 13 61.808 0.3 . 1 . . . . 145 TRP CA . 15824 1 182 . 1 1 27 27 TRP CB C 13 28.236 0.3 . 1 . . . . 145 TRP CB . 15824 1 183 . 1 1 27 27 TRP CD1 C 13 128.885 0.3 . 1 . . . . 145 TRP CD1 . 15824 1 184 . 1 1 27 27 TRP CE3 C 13 121.888 0.3 . 1 . . . . 145 TRP CE3 . 15824 1 185 . 1 1 27 27 TRP CH2 C 13 126.175 0.3 . 1 . . . . 145 TRP CH2 . 15824 1 186 . 1 1 27 27 TRP CZ2 C 13 116.091 0.3 . 1 . . . . 145 TRP CZ2 . 15824 1 187 . 1 1 27 27 TRP CZ3 C 13 122.461 0.3 . 1 . . . . 145 TRP CZ3 . 15824 1 188 . 1 1 27 27 TRP N N 15 120.546 0.3 . 1 . . . . 145 TRP N . 15824 1 189 . 1 1 27 27 TRP NE1 N 15 129.561 0.3 . 1 . . . . 145 TRP NE1 . 15824 1 190 . 1 1 28 28 GLU HA H 1 3.486 0.020 . 1 . . . . 146 GLU HA . 15824 1 191 . 1 1 28 28 GLU HB2 H 1 1.868 0.020 . 2 . . . . 146 GLU HB2 . 15824 1 192 . 1 1 28 28 GLU HB3 H 1 1.300 0.020 . 2 . . . . 146 GLU HB3 . 15824 1 193 . 1 1 28 28 GLU HG2 H 1 2.188 0.020 . 2 . . . . 146 GLU HG2 . 15824 1 194 . 1 1 28 28 GLU HG3 H 1 1.658 0.020 . 2 . . . . 146 GLU HG3 . 15824 1 195 . 1 1 28 28 GLU CA C 13 59.737 0.3 . 1 . . . . 146 GLU CA . 15824 1 196 . 1 1 28 28 GLU CB C 13 29.355 0.3 . 1 . . . . 146 GLU CB . 15824 1 197 . 1 1 28 28 GLU CG C 13 36.666 0.3 . 1 . . . . 146 GLU CG . 15824 1 198 . 1 1 28 28 GLU N N 15 120.315 0.3 . 1 . . . . 146 GLU N . 15824 1 199 . 1 1 29 29 ASP HA H 1 4.730 0.020 . 1 . . . . 147 ASP HA . 15824 1 200 . 1 1 29 29 ASP HB2 H 1 2.878 0.020 . 2 . . . . 147 ASP HB2 . 15824 1 201 . 1 1 29 29 ASP HB3 H 1 2.903 0.020 . 2 . . . . 147 ASP HB3 . 15824 1 202 . 1 1 29 29 ASP CA C 13 58.516 0.3 . 1 . . . . 147 ASP CA . 15824 1 203 . 1 1 29 29 ASP CB C 13 40.372 0.3 . 1 . . . . 147 ASP CB . 15824 1 204 . 1 1 29 29 ASP N N 15 119.042 0.3 . 1 . . . . 147 ASP N . 15824 1 205 . 1 1 30 30 ARG HA H 1 4.002 0.020 . 1 . . . . 148 ARG HA . 15824 1 206 . 1 1 30 30 ARG HD2 H 1 3.239 0.020 . 2 . . . . 148 ARG HD2 . 15824 1 207 . 1 1 30 30 ARG HD3 H 1 3.212 0.020 . 2 . . . . 148 ARG HD3 . 15824 1 208 . 1 1 30 30 ARG HE H 1 7.460 0.020 . 1 . . . . 148 ARG HE . 15824 1 209 . 1 1 30 30 ARG HG2 H 1 1.752 0.020 . 2 . . . . 148 ARG HG2 . 15824 1 210 . 1 1 30 30 ARG HG3 H 1 1.515 0.020 . 2 . . . . 148 ARG HG3 . 15824 1 211 . 1 1 30 30 ARG CA C 13 59.567 0.3 . 1 . . . . 148 ARG CA . 15824 1 212 . 1 1 30 30 ARG CB C 13 29.817 0.3 . 1 . . . . 148 ARG CB . 15824 1 213 . 1 1 30 30 ARG CD C 13 43.545 0.3 . 1 . . . . 148 ARG CD . 15824 1 214 . 1 1 30 30 ARG CG C 13 27.705 0.3 . 1 . . . . 148 ARG CG . 15824 1 215 . 1 1 30 30 ARG N N 15 120.032 0.3 . 1 . . . . 148 ARG N . 15824 1 216 . 1 1 30 30 ARG NE N 15 85.171 0.3 . 1 . . . . 148 ARG NE . 15824 1 217 . 1 1 31 31 TYR HA H 1 3.754 0.020 . 1 . . . . 149 TYR HA . 15824 1 218 . 1 1 31 31 TYR HB2 H 1 2.332 0.020 . 2 . . . . 149 TYR HB2 . 15824 1 219 . 1 1 31 31 TYR HB3 H 1 2.324 0.020 . 2 . . . . 149 TYR HB3 . 15824 1 220 . 1 1 31 31 TYR CA C 13 62.148 0.3 . 1 . . . . 149 TYR CA . 15824 1 221 . 1 1 31 31 TYR CB C 13 38.075 0.3 . 1 . . . . 149 TYR CB . 15824 1 222 . 1 1 31 31 TYR CD1 C 13 134.874 0.3 . 1 . . . . 149 TYR CD1 . 15824 1 223 . 1 1 31 31 TYR CE1 C 13 119.259 0.3 . 1 . . . . 149 TYR CE1 . 15824 1 224 . 1 1 31 31 TYR N N 15 120.970 0.3 . 1 . . . . 149 TYR N . 15824 1 225 . 1 1 32 32 TYR HA H 1 4.117 0.020 . 1 . . . . 150 TYR HA . 15824 1 226 . 1 1 32 32 TYR HB2 H 1 3.567 0.020 . 2 . . . . 150 TYR HB2 . 15824 1 227 . 1 1 32 32 TYR HB3 H 1 3.245 0.020 . 2 . . . . 150 TYR HB3 . 15824 1 228 . 1 1 32 32 TYR CA C 13 63.107 0.3 . 1 . . . . 150 TYR CA . 15824 1 229 . 1 1 32 32 TYR CB C 13 38.376 0.3 . 1 . . . . 150 TYR CB . 15824 1 230 . 1 1 32 32 TYR CD1 C 13 134.932 0.3 . 1 . . . . 150 TYR CD1 . 15824 1 231 . 1 1 32 32 TYR CE1 C 13 119.671 0.3 . 1 . . . . 150 TYR CE1 . 15824 1 232 . 1 1 32 32 TYR N N 15 120.431 0.3 . 1 . . . . 150 TYR N . 15824 1 233 . 1 1 33 33 ARG HA H 1 3.893 0.020 . 1 . . . . 151 ARG HA . 15824 1 234 . 1 1 33 33 ARG HB2 H 1 1.974 0.020 . 2 . . . . 151 ARG HB2 . 15824 1 235 . 1 1 33 33 ARG HB3 H 1 2.044 0.020 . 2 . . . . 151 ARG HB3 . 15824 1 236 . 1 1 33 33 ARG HD2 H 1 3.382 0.020 . 2 . . . . 151 ARG HD2 . 15824 1 237 . 1 1 33 33 ARG HD3 H 1 3.297 0.020 . 2 . . . . 151 ARG HD3 . 15824 1 238 . 1 1 33 33 ARG HE H 1 7.474 0.020 . 1 . . . . 151 ARG HE . 15824 1 239 . 1 1 33 33 ARG HG2 H 1 1.998 0.020 . 2 . . . . 151 ARG HG2 . 15824 1 240 . 1 1 33 33 ARG HG3 H 1 1.762 0.020 . 2 . . . . 151 ARG HG3 . 15824 1 241 . 1 1 33 33 ARG CA C 13 59.882 0.3 . 1 . . . . 151 ARG CA . 15824 1 242 . 1 1 33 33 ARG CB C 13 29.728 0.3 . 1 . . . . 151 ARG CB . 15824 1 243 . 1 1 33 33 ARG CD C 13 43.516 0.3 . 1 . . . . 151 ARG CD . 15824 1 244 . 1 1 33 33 ARG CG C 13 28.357 0.3 . 1 . . . . 151 ARG CG . 15824 1 245 . 1 1 33 33 ARG N N 15 117.286 0.3 . 1 . . . . 151 ARG N . 15824 1 246 . 1 1 33 33 ARG NE N 15 84.744 0.3 . 1 . . . . 151 ARG NE . 15824 1 247 . 1 1 34 34 GLU HA H 1 4.056 0.020 . 1 . . . . 152 GLU HA . 15824 1 248 . 1 1 34 34 GLU HG2 H 1 2.461 0.020 . 2 . . . . 152 GLU HG2 . 15824 1 249 . 1 1 34 34 GLU HG3 H 1 2.452 0.020 . 2 . . . . 152 GLU HG3 . 15824 1 250 . 1 1 34 34 GLU CA C 13 57.558 0.3 . 1 . . . . 152 GLU CA . 15824 1 251 . 1 1 34 34 GLU CB C 13 29.582 0.3 . 1 . . . . 152 GLU CB . 15824 1 252 . 1 1 34 34 GLU CG C 13 35.267 0.3 . 1 . . . . 152 GLU CG . 15824 1 253 . 1 1 34 34 GLU N N 15 115.349 0.3 . 1 . . . . 152 GLU N . 15824 1 254 . 1 1 35 35 ASN HA H 1 4.525 0.020 . 1 . . . . 153 ASN HA . 15824 1 255 . 1 1 35 35 ASN HB2 H 1 2.364 0.020 . 2 . . . . 153 ASN HB2 . 15824 1 256 . 1 1 35 35 ASN HB3 H 1 2.174 0.020 . 2 . . . . 153 ASN HB3 . 15824 1 257 . 1 1 35 35 ASN HD21 H 1 6.750 0.020 . 1 . . . . 153 ASN HD21 . 15824 1 258 . 1 1 35 35 ASN HD22 H 1 6.547 0.020 . 1 . . . . 153 ASN HD22 . 15824 1 259 . 1 1 35 35 ASN CA C 13 54.655 0.3 . 1 . . . . 153 ASN CA . 15824 1 260 . 1 1 35 35 ASN CB C 13 41.230 0.3 . 1 . . . . 153 ASN CB . 15824 1 261 . 1 1 35 35 ASN N N 15 115.829 0.3 . 1 . . . . 153 ASN N . 15824 1 262 . 1 1 35 35 ASN ND2 N 15 117.136 0.3 . 1 . . . . 153 ASN ND2 . 15824 1 263 . 1 1 36 36 MET HA H 1 3.601 0.020 . 1 . . . . 154 MET HA . 15824 1 264 . 1 1 36 36 MET HB2 H 1 1.699 0.020 . 2 . . . . 154 MET HB2 . 15824 1 265 . 1 1 36 36 MET HB3 H 1 1.326 0.020 . 2 . . . . 154 MET HB3 . 15824 1 266 . 1 1 36 36 MET HG2 H 1 2.186 0.020 . 2 . . . . 154 MET HG2 . 15824 1 267 . 1 1 36 36 MET HG3 H 1 1.981 0.020 . 2 . . . . 154 MET HG3 . 15824 1 268 . 1 1 36 36 MET CA C 13 59.200 0.3 . 1 . . . . 154 MET CA . 15824 1 269 . 1 1 36 36 MET CB C 13 30.799 0.3 . 1 . . . . 154 MET CB . 15824 1 270 . 1 1 36 36 MET CE C 13 17.193 0.3 . 1 . . . . 154 MET CE . 15824 1 271 . 1 1 36 36 MET CG C 13 29.717 0.3 . 1 . . . . 154 MET CG . 15824 1 272 . 1 1 36 36 MET N N 15 118.075 0.3 . 1 . . . . 154 MET N . 15824 1 273 . 1 1 37 37 ASN HA H 1 4.427 0.020 . 1 . . . . 155 ASN HA . 15824 1 274 . 1 1 37 37 ASN HB2 H 1 2.711 0.020 . 2 . . . . 155 ASN HB2 . 15824 1 275 . 1 1 37 37 ASN HB3 H 1 2.782 0.020 . 2 . . . . 155 ASN HB3 . 15824 1 276 . 1 1 37 37 ASN HD21 H 1 7.491 0.020 . 1 . . . . 155 ASN HD21 . 15824 1 277 . 1 1 37 37 ASN HD22 H 1 6.824 0.020 . 1 . . . . 155 ASN HD22 . 15824 1 278 . 1 1 37 37 ASN CA C 13 54.482 0.3 . 1 . . . . 155 ASN CA . 15824 1 279 . 1 1 37 37 ASN CB C 13 37.167 0.3 . 1 . . . . 155 ASN CB . 15824 1 280 . 1 1 37 37 ASN N N 15 115.941 0.3 . 1 . . . . 155 ASN N . 15824 1 281 . 1 1 37 37 ASN ND2 N 15 112.313 0.3 . 1 . . . . 155 ASN ND2 . 15824 1 282 . 1 1 38 38 ARG HA H 1 4.244 0.020 . 1 . . . . 156 ARG HA . 15824 1 283 . 1 1 38 38 ARG HB2 H 1 1.547 0.020 . 2 . . . . 156 ARG HB2 . 15824 1 284 . 1 1 38 38 ARG HB3 H 1 2.093 0.020 . 2 . . . . 156 ARG HB3 . 15824 1 285 . 1 1 38 38 ARG HD2 H 1 3.372 0.020 . 2 . . . . 156 ARG HD2 . 15824 1 286 . 1 1 38 38 ARG HD3 H 1 3.263 0.020 . 2 . . . . 156 ARG HD3 . 15824 1 287 . 1 1 38 38 ARG HE H 1 7.340 0.020 . 1 . . . . 156 ARG HE . 15824 1 288 . 1 1 38 38 ARG HG2 H 1 1.620 0.020 . 2 . . . . 156 ARG HG2 . 15824 1 289 . 1 1 38 38 ARG HG3 H 1 1.593 0.020 . 2 . . . . 156 ARG HG3 . 15824 1 290 . 1 1 38 38 ARG HH21 H 1 6.428 0.020 . 1 . . . . 156 ARG HH21 . 15824 1 291 . 1 1 38 38 ARG CA C 13 56.726 0.3 . 1 . . . . 156 ARG CA . 15824 1 292 . 1 1 38 38 ARG CB C 13 30.533 0.3 . 1 . . . . 156 ARG CB . 15824 1 293 . 1 1 38 38 ARG CD C 13 44.379 0.3 . 1 . . . . 156 ARG CD . 15824 1 294 . 1 1 38 38 ARG CG C 13 27.742 0.3 . 1 . . . . 156 ARG CG . 15824 1 295 . 1 1 38 38 ARG N N 15 117.628 0.3 . 1 . . . . 156 ARG N . 15824 1 296 . 1 1 38 38 ARG NE N 15 84.620 0.3 . 1 . . . . 156 ARG NE . 15824 1 297 . 1 1 39 39 TYR HA H 1 5.092 0.020 . 1 . . . . 157 TYR HA . 15824 1 298 . 1 1 39 39 TYR CA C 13 53.174 0.3 . 1 . . . . 157 TYR CA . 15824 1 299 . 1 1 39 39 TYR CB C 13 35.244 0.3 . 1 . . . . 157 TYR CB . 15824 1 300 . 1 1 39 39 TYR CD1 C 13 132.882 0.3 . 1 . . . . 157 TYR CD1 . 15824 1 301 . 1 1 39 39 TYR CE1 C 13 118.950 0.3 . 1 . . . . 157 TYR CE1 . 15824 1 302 . 1 1 39 39 TYR N N 15 120.358 0.3 . 1 . . . . 157 TYR N . 15824 1 303 . 1 1 40 40 PRO HA H 1 4.526 0.020 . 1 . . . . 158 PRO HA . 15824 1 304 . 1 1 40 40 PRO HB2 H 1 1.786 0.020 . 2 . . . . 158 PRO HB2 . 15824 1 305 . 1 1 40 40 PRO HB3 H 1 2.502 0.020 . 2 . . . . 158 PRO HB3 . 15824 1 306 . 1 1 40 40 PRO HD2 H 1 3.290 0.020 . 2 . . . . 158 PRO HD2 . 15824 1 307 . 1 1 40 40 PRO HD3 H 1 3.557 0.020 . 2 . . . . 158 PRO HD3 . 15824 1 308 . 1 1 40 40 PRO HG2 H 1 1.644 0.020 . 2 . . . . 158 PRO HG2 . 15824 1 309 . 1 1 40 40 PRO HG3 H 1 1.471 0.020 . 2 . . . . 158 PRO HG3 . 15824 1 310 . 1 1 40 40 PRO CA C 13 63.442 0.3 . 1 . . . . 158 PRO CA . 15824 1 311 . 1 1 40 40 PRO CB C 13 32.459 0.3 . 1 . . . . 158 PRO CB . 15824 1 312 . 1 1 40 40 PRO CD C 13 50.182 0.3 . 1 . . . . 158 PRO CD . 15824 1 313 . 1 1 40 40 PRO CG C 13 27.387 0.3 . 1 . . . . 158 PRO CG . 15824 1 314 . 1 1 41 41 ASN HA H 1 4.781 0.020 . 1 . . . . 159 ASN HA . 15824 1 315 . 1 1 41 41 ASN HB2 H 1 3.792 0.020 . 2 . . . . 159 ASN HB2 . 15824 1 316 . 1 1 41 41 ASN HB3 H 1 2.457 0.020 . 2 . . . . 159 ASN HB3 . 15824 1 317 . 1 1 41 41 ASN HD21 H 1 7.499 0.020 . 1 . . . . 159 ASN HD21 . 15824 1 318 . 1 1 41 41 ASN HD22 H 1 6.797 0.020 . 1 . . . . 159 ASN HD22 . 15824 1 319 . 1 1 41 41 ASN CA C 13 51.637 0.3 . 1 . . . . 159 ASN CA . 15824 1 320 . 1 1 41 41 ASN CB C 13 38.012 0.3 . 1 . . . . 159 ASN CB . 15824 1 321 . 1 1 41 41 ASN N N 15 115.773 0.3 . 1 . . . . 159 ASN N . 15824 1 322 . 1 1 41 41 ASN ND2 N 15 108.886 0.3 . 1 . . . . 159 ASN ND2 . 15824 1 323 . 1 1 42 42 GLN HA H 1 4.637 0.020 . 1 . . . . 160 GLN HA . 15824 1 324 . 1 1 42 42 GLN HB2 H 1 2.012 0.020 . 2 . . . . 160 GLN HB2 . 15824 1 325 . 1 1 42 42 GLN HB3 H 1 1.729 0.020 . 2 . . . . 160 GLN HB3 . 15824 1 326 . 1 1 42 42 GLN HE21 H 1 7.946 0.020 . 1 . . . . 160 GLN HE21 . 15824 1 327 . 1 1 42 42 GLN HE22 H 1 7.039 0.020 . 1 . . . . 160 GLN HE22 . 15824 1 328 . 1 1 42 42 GLN HG2 H 1 2.190 0.020 . 2 . . . . 160 GLN HG2 . 15824 1 329 . 1 1 42 42 GLN HG3 H 1 2.069 0.020 . 2 . . . . 160 GLN HG3 . 15824 1 330 . 1 1 42 42 GLN CA C 13 54.087 0.3 . 1 . . . . 160 GLN CA . 15824 1 331 . 1 1 42 42 GLN CB C 13 33.906 0.3 . 1 . . . . 160 GLN CB . 15824 1 332 . 1 1 42 42 GLN CG C 13 34.242 0.3 . 1 . . . . 160 GLN CG . 15824 1 333 . 1 1 42 42 GLN N N 15 113.772 0.3 . 1 . . . . 160 GLN N . 15824 1 334 . 1 1 42 42 GLN NE2 N 15 112.879 0.3 . 1 . . . . 160 GLN NE2 . 15824 1 335 . 1 1 43 43 VAL HA H 1 4.967 0.020 . 1 . . . . 161 VAL HA . 15824 1 336 . 1 1 43 43 VAL HB H 1 2.644 0.020 . 1 . . . . 161 VAL HB . 15824 1 337 . 1 1 43 43 VAL CA C 13 58.707 0.3 . 1 . . . . 161 VAL CA . 15824 1 338 . 1 1 43 43 VAL CB C 13 34.056 0.3 . 1 . . . . 161 VAL CB . 15824 1 339 . 1 1 43 43 VAL CG1 C 13 23.709 0.3 . 1 . . . . 161 VAL CG1 . 15824 1 340 . 1 1 43 43 VAL CG2 C 13 18.132 0.3 . 1 . . . . 161 VAL CG2 . 15824 1 341 . 1 1 43 43 VAL N N 15 113.015 0.3 . 1 . . . . 161 VAL N . 15824 1 342 . 1 1 44 44 TYR HA H 1 5.609 0.020 . 1 . . . . 162 TYR HA . 15824 1 343 . 1 1 44 44 TYR HB2 H 1 2.651 0.020 . 2 . . . . 162 TYR HB2 . 15824 1 344 . 1 1 44 44 TYR HB3 H 1 2.585 0.020 . 2 . . . . 162 TYR HB3 . 15824 1 345 . 1 1 44 44 TYR CA C 13 56.842 0.3 . 1 . . . . 162 TYR CA . 15824 1 346 . 1 1 44 44 TYR CB C 13 41.865 0.3 . 1 . . . . 162 TYR CB . 15824 1 347 . 1 1 44 44 TYR CD1 C 13 134.262 0.3 . 1 . . . . 162 TYR CD1 . 15824 1 348 . 1 1 44 44 TYR CE1 C 13 119.788 0.3 . 1 . . . . 162 TYR CE1 . 15824 1 349 . 1 1 44 44 TYR N N 15 121.230 0.3 . 1 . . . . 162 TYR N . 15824 1 350 . 1 1 45 45 TYR HA H 1 4.721 0.020 . 1 . . . . 163 TYR HA . 15824 1 351 . 1 1 45 45 TYR HB2 H 1 2.895 0.020 . 2 . . . . 163 TYR HB2 . 15824 1 352 . 1 1 45 45 TYR HB3 H 1 2.867 0.020 . 2 . . . . 163 TYR HB3 . 15824 1 353 . 1 1 45 45 TYR CA C 13 55.246 0.3 . 1 . . . . 163 TYR CA . 15824 1 354 . 1 1 45 45 TYR CB C 13 40.073 0.3 . 1 . . . . 163 TYR CB . 15824 1 355 . 1 1 45 45 TYR CD1 C 13 135.472 0.3 . 1 . . . . 163 TYR CD1 . 15824 1 356 . 1 1 45 45 TYR CE1 C 13 119.029 0.3 . 1 . . . . 163 TYR CE1 . 15824 1 357 . 1 1 45 45 TYR N N 15 111.055 0.3 . 1 . . . . 163 TYR N . 15824 1 358 . 1 1 46 46 ARG HA H 1 4.672 0.020 . 1 . . . . 164 ARG HA . 15824 1 359 . 1 1 46 46 ARG HB2 H 1 1.764 0.020 . 2 . . . . 164 ARG HB2 . 15824 1 360 . 1 1 46 46 ARG HB3 H 1 1.886 0.020 . 2 . . . . 164 ARG HB3 . 15824 1 361 . 1 1 46 46 ARG HD2 H 1 2.844 0.020 . 2 . . . . 164 ARG HD2 . 15824 1 362 . 1 1 46 46 ARG HD3 H 1 2.890 0.020 . 2 . . . . 164 ARG HD3 . 15824 1 363 . 1 1 46 46 ARG HE H 1 6.597 0.020 . 1 . . . . 164 ARG HE . 15824 1 364 . 1 1 46 46 ARG HG2 H 1 1.141 0.020 . 2 . . . . 164 ARG HG2 . 15824 1 365 . 1 1 46 46 ARG HG3 H 1 0.976 0.020 . 2 . . . . 164 ARG HG3 . 15824 1 366 . 1 1 46 46 ARG CA C 13 53.536 0.3 . 1 . . . . 164 ARG CA . 15824 1 367 . 1 1 46 46 ARG CB C 13 30.121 0.3 . 1 . . . . 164 ARG CB . 15824 1 368 . 1 1 46 46 ARG CD C 13 43.619 0.3 . 1 . . . . 164 ARG CD . 15824 1 369 . 1 1 46 46 ARG CG C 13 27.815 0.3 . 1 . . . . 164 ARG CG . 15824 1 370 . 1 1 46 46 ARG N N 15 120.484 0.3 . 1 . . . . 164 ARG N . 15824 1 371 . 1 1 46 46 ARG NE N 15 84.543 0.3 . 1 . . . . 164 ARG NE . 15824 1 372 . 1 1 47 47 PRO HA H 1 4.607 0.020 . 1 . . . . 165 PRO HA . 15824 1 373 . 1 1 47 47 PRO HB2 H 1 1.997 0.020 . 2 . . . . 165 PRO HB2 . 15824 1 374 . 1 1 47 47 PRO HB3 H 1 2.513 0.020 . 2 . . . . 165 PRO HB3 . 15824 1 375 . 1 1 47 47 PRO HD2 H 1 3.708 0.020 . 2 . . . . 165 PRO HD2 . 15824 1 376 . 1 1 47 47 PRO HD3 H 1 3.471 0.020 . 2 . . . . 165 PRO HD3 . 15824 1 377 . 1 1 47 47 PRO HG2 H 1 2.189 0.020 . 2 . . . . 165 PRO HG2 . 15824 1 378 . 1 1 47 47 PRO HG3 H 1 2.048 0.020 . 2 . . . . 165 PRO HG3 . 15824 1 379 . 1 1 47 47 PRO CA C 13 63.514 0.3 . 1 . . . . 165 PRO CA . 15824 1 380 . 1 1 47 47 PRO CB C 13 32.607 0.3 . 1 . . . . 165 PRO CB . 15824 1 381 . 1 1 47 47 PRO CD C 13 50.091 0.3 . 1 . . . . 165 PRO CD . 15824 1 382 . 1 1 47 47 PRO CG C 13 28.331 0.3 . 1 . . . . 165 PRO CG . 15824 1 383 . 1 1 48 48 VAL HA H 1 4.277 0.020 . 1 . . . . 166 VAL HA . 15824 1 384 . 1 1 48 48 VAL HB H 1 2.052 0.020 . 1 . . . . 166 VAL HB . 15824 1 385 . 1 1 48 48 VAL CA C 13 65.477 0.3 . 1 . . . . 166 VAL CA . 15824 1 386 . 1 1 48 48 VAL CB C 13 32.298 0.3 . 1 . . . . 166 VAL CB . 15824 1 387 . 1 1 48 48 VAL CG1 C 13 21.547 0.3 . 1 . . . . 166 VAL CG1 . 15824 1 388 . 1 1 48 48 VAL CG2 C 13 21.542 0.3 . 1 . . . . 166 VAL CG2 . 15824 1 389 . 1 1 48 48 VAL N N 15 119.234 0.3 . 1 . . . . 166 VAL N . 15824 1 390 . 1 1 49 49 ASP HA H 1 4.491 0.020 . 1 . . . . 167 ASP HA . 15824 1 391 . 1 1 49 49 ASP HB2 H 1 2.985 0.020 . 2 . . . . 167 ASP HB2 . 15824 1 392 . 1 1 49 49 ASP HB3 H 1 2.514 0.020 . 2 . . . . 167 ASP HB3 . 15824 1 393 . 1 1 49 49 ASP CA C 13 54.157 0.3 . 1 . . . . 167 ASP CA . 15824 1 394 . 1 1 49 49 ASP CB C 13 38.720 0.3 . 1 . . . . 167 ASP CB . 15824 1 395 . 1 1 49 49 ASP N N 15 117.539 0.3 . 1 . . . . 167 ASP N . 15824 1 396 . 1 1 50 50 GLN HA H 1 4.131 0.020 . 1 . . . . 168 GLN HA . 15824 1 397 . 1 1 50 50 GLN HB2 H 1 1.774 0.020 . 2 . . . . 168 GLN HB2 . 15824 1 398 . 1 1 50 50 GLN HB3 H 1 1.941 0.020 . 2 . . . . 168 GLN HB3 . 15824 1 399 . 1 1 50 50 GLN HE21 H 1 7.633 0.020 . 1 . . . . 168 GLN HE21 . 15824 1 400 . 1 1 50 50 GLN HE22 H 1 6.853 0.020 . 1 . . . . 168 GLN HE22 . 15824 1 401 . 1 1 50 50 GLN CA C 13 55.793 0.3 . 1 . . . . 168 GLN CA . 15824 1 402 . 1 1 50 50 GLN CB C 13 27.414 0.3 . 1 . . . . 168 GLN CB . 15824 1 403 . 1 1 50 50 GLN CG C 13 34.131 0.3 . 1 . . . . 168 GLN CG . 15824 1 404 . 1 1 50 50 GLN N N 15 117.624 0.3 . 1 . . . . 168 GLN N . 15824 1 405 . 1 1 50 50 GLN NE2 N 15 112.772 0.3 . 1 . . . . 168 GLN NE2 . 15824 1 406 . 1 1 51 51 TYR HA H 1 4.905 0.020 . 1 . . . . 169 TYR HA . 15824 1 407 . 1 1 51 51 TYR HB2 H 1 3.337 0.020 . 2 . . . . 169 TYR HB2 . 15824 1 408 . 1 1 51 51 TYR HB3 H 1 3.095 0.020 . 2 . . . . 169 TYR HB3 . 15824 1 409 . 1 1 51 51 TYR CA C 13 57.032 0.3 . 1 . . . . 169 TYR CA . 15824 1 410 . 1 1 51 51 TYR CB C 13 41.975 0.3 . 1 . . . . 169 TYR CB . 15824 1 411 . 1 1 51 51 TYR CD1 C 13 135.332 0.3 . 1 . . . . 169 TYR CD1 . 15824 1 412 . 1 1 51 51 TYR CE1 C 13 120.088 0.3 . 1 . . . . 169 TYR CE1 . 15824 1 413 . 1 1 51 51 TYR N N 15 117.068 0.3 . 1 . . . . 169 TYR N . 15824 1 414 . 1 1 52 52 ASN HA H 1 4.885 0.020 . 1 . . . . 170 ASN HA . 15824 1 415 . 1 1 52 52 ASN HB2 H 1 2.998 0.020 . 2 . . . . 170 ASN HB2 . 15824 1 416 . 1 1 52 52 ASN HB3 H 1 2.948 0.020 . 2 . . . . 170 ASN HB3 . 15824 1 417 . 1 1 52 52 ASN HD21 H 1 7.667 0.020 . 1 . . . . 170 ASN HD21 . 15824 1 418 . 1 1 52 52 ASN HD22 H 1 6.866 0.020 . 1 . . . . 170 ASN HD22 . 15824 1 419 . 1 1 52 52 ASN CA C 13 53.519 0.3 . 1 . . . . 170 ASN CA . 15824 1 420 . 1 1 52 52 ASN CB C 13 38.822 0.3 . 1 . . . . 170 ASN CB . 15824 1 421 . 1 1 52 52 ASN N N 15 117.237 0.3 . 1 . . . . 170 ASN N . 15824 1 422 . 1 1 52 52 ASN ND2 N 15 112.018 0.3 . 1 . . . . 170 ASN ND2 . 15824 1 423 . 1 1 53 53 ASN HA H 1 4.775 0.020 . 1 . . . . 171 ASN HA . 15824 1 424 . 1 1 53 53 ASN HB2 H 1 3.138 0.020 . 2 . . . . 171 ASN HB2 . 15824 1 425 . 1 1 53 53 ASN HB3 H 1 3.028 0.020 . 2 . . . . 171 ASN HB3 . 15824 1 426 . 1 1 53 53 ASN HD21 H 1 7.628 0.020 . 1 . . . . 171 ASN HD21 . 15824 1 427 . 1 1 53 53 ASN HD22 H 1 6.755 0.020 . 1 . . . . 171 ASN HD22 . 15824 1 428 . 1 1 53 53 ASN CA C 13 52.594 0.3 . 1 . . . . 171 ASN CA . 15824 1 429 . 1 1 53 53 ASN CB C 13 40.080 0.3 . 1 . . . . 171 ASN CB . 15824 1 430 . 1 1 53 53 ASN N N 15 113.278 0.3 . 1 . . . . 171 ASN N . 15824 1 431 . 1 1 53 53 ASN ND2 N 15 113.498 0.3 . 1 . . . . 171 ASN ND2 . 15824 1 432 . 1 1 54 54 GLN HA H 1 2.902 0.020 . 1 . . . . 172 GLN HA . 15824 1 433 . 1 1 54 54 GLN HB2 H 1 1.706 0.020 . 2 . . . . 172 GLN HB2 . 15824 1 434 . 1 1 54 54 GLN HB3 H 1 1.616 0.020 . 2 . . . . 172 GLN HB3 . 15824 1 435 . 1 1 54 54 GLN HE21 H 1 7.238 0.020 . 1 . . . . 172 GLN HE21 . 15824 1 436 . 1 1 54 54 GLN HE22 H 1 6.909 0.020 . 1 . . . . 172 GLN HE22 . 15824 1 437 . 1 1 54 54 GLN HG2 H 1 1.842 0.020 . 2 . . . . 172 GLN HG2 . 15824 1 438 . 1 1 54 54 GLN HG3 H 1 1.165 0.020 . 2 . . . . 172 GLN HG3 . 15824 1 439 . 1 1 54 54 GLN CA C 13 58.777 0.3 . 1 . . . . 172 GLN CA . 15824 1 440 . 1 1 54 54 GLN CB C 13 29.346 0.3 . 1 . . . . 172 GLN CB . 15824 1 441 . 1 1 54 54 GLN CG C 13 33.479 0.3 . 1 . . . . 172 GLN CG . 15824 1 442 . 1 1 54 54 GLN N N 15 120.676 0.3 . 1 . . . . 172 GLN N . 15824 1 443 . 1 1 54 54 GLN NE2 N 15 111.676 0.3 . 1 . . . . 172 GLN NE2 . 15824 1 444 . 1 1 55 55 ASN HA H 1 4.268 0.020 . 1 . . . . 173 ASN HA . 15824 1 445 . 1 1 55 55 ASN HB2 H 1 2.689 0.020 . 2 . . . . 173 ASN HB2 . 15824 1 446 . 1 1 55 55 ASN HB3 H 1 2.803 0.020 . 2 . . . . 173 ASN HB3 . 15824 1 447 . 1 1 55 55 ASN HD21 H 1 7.632 0.020 . 1 . . . . 173 ASN HD21 . 15824 1 448 . 1 1 55 55 ASN HD22 H 1 7.002 0.020 . 1 . . . . 173 ASN HD22 . 15824 1 449 . 1 1 55 55 ASN CA C 13 56.408 0.3 . 1 . . . . 173 ASN CA . 15824 1 450 . 1 1 55 55 ASN CB C 13 37.661 0.3 . 1 . . . . 173 ASN CB . 15824 1 451 . 1 1 55 55 ASN N N 15 117.457 0.3 . 1 . . . . 173 ASN N . 15824 1 452 . 1 1 55 55 ASN ND2 N 15 112.868 0.3 . 1 . . . . 173 ASN ND2 . 15824 1 453 . 1 1 56 56 ASN HA H 1 4.638 0.020 . 1 . . . . 174 ASN HA . 15824 1 454 . 1 1 56 56 ASN HB2 H 1 3.253 0.020 . 2 . . . . 174 ASN HB2 . 15824 1 455 . 1 1 56 56 ASN HB3 H 1 2.997 0.020 . 2 . . . . 174 ASN HB3 . 15824 1 456 . 1 1 56 56 ASN HD21 H 1 8.056 0.020 . 1 . . . . 174 ASN HD21 . 15824 1 457 . 1 1 56 56 ASN HD22 H 1 7.190 0.020 . 1 . . . . 174 ASN HD22 . 15824 1 458 . 1 1 56 56 ASN CA C 13 56.045 0.3 . 1 . . . . 174 ASN CA . 15824 1 459 . 1 1 56 56 ASN CB C 13 38.189 0.3 . 1 . . . . 174 ASN CB . 15824 1 460 . 1 1 56 56 ASN N N 15 118.416 0.3 . 1 . . . . 174 ASN N . 15824 1 461 . 1 1 56 56 ASN ND2 N 15 112.269 0.3 . 1 . . . . 174 ASN ND2 . 15824 1 462 . 1 1 57 57 PHE HB2 H 1 2.538 0.020 . 2 . . . . 175 PHE HB2 . 15824 1 463 . 1 1 57 57 PHE HB3 H 1 3.138 0.020 . 2 . . . . 175 PHE HB3 . 15824 1 464 . 1 1 57 57 PHE HZ H 1 6.746 0.020 . 1 . . . . 175 PHE HZ . 15824 1 465 . 1 1 57 57 PHE CA C 13 60.878 0.3 . 1 . . . . 175 PHE CA . 15824 1 466 . 1 1 57 57 PHE CB C 13 38.568 0.3 . 1 . . . . 175 PHE CB . 15824 1 467 . 1 1 57 57 PHE CD1 C 13 135.512 0.3 . 1 . . . . 175 PHE CD1 . 15824 1 468 . 1 1 57 57 PHE CE1 C 13 133.478 0.3 . 1 . . . . 175 PHE CE1 . 15824 1 469 . 1 1 57 57 PHE CZ C 13 130.561 0.3 . 1 . . . . 175 PHE CZ . 15824 1 470 . 1 1 57 57 PHE N N 15 121.684 0.3 . 1 . . . . 175 PHE N . 15824 1 471 . 1 1 58 58 VAL HA H 1 3.462 0.020 . 1 . . . . 176 VAL HA . 15824 1 472 . 1 1 58 58 VAL HB H 1 2.228 0.020 . 1 . . . . 176 VAL HB . 15824 1 473 . 1 1 58 58 VAL CA C 13 67.573 0.3 . 1 . . . . 176 VAL CA . 15824 1 474 . 1 1 58 58 VAL CB C 13 31.954 0.3 . 1 . . . . 176 VAL CB . 15824 1 475 . 1 1 58 58 VAL CG1 C 13 21.633 0.3 . 1 . . . . 176 VAL CG1 . 15824 1 476 . 1 1 58 58 VAL CG2 C 13 24.404 0.3 . 1 . . . . 176 VAL CG2 . 15824 1 477 . 1 1 58 58 VAL N N 15 120.257 0.3 . 1 . . . . 176 VAL N . 15824 1 478 . 1 1 59 59 HIS HA H 1 4.344 0.020 . 1 . . . . 177 HIS HA . 15824 1 479 . 1 1 59 59 HIS HB2 H 1 3.426 0.020 . 2 . . . . 177 HIS HB2 . 15824 1 480 . 1 1 59 59 HIS HB3 H 1 3.375 0.020 . 2 . . . . 177 HIS HB3 . 15824 1 481 . 1 1 59 59 HIS HD2 H 1 7.439 0.020 . 1 . . . . 177 HIS HD2 . 15824 1 482 . 1 1 59 59 HIS HE1 H 1 8.683 0.020 . 1 . . . . 177 HIS HE1 . 15824 1 483 . 1 1 59 59 HIS CA C 13 59.203 0.3 . 1 . . . . 177 HIS CA . 15824 1 484 . 1 1 59 59 HIS CB C 13 28.310 0.3 . 1 . . . . 177 HIS CB . 15824 1 485 . 1 1 59 59 HIS CD2 C 13 121.480 0.3 . 1 . . . . 177 HIS CD2 . 15824 1 486 . 1 1 59 59 HIS CE1 C 13 137.644 0.3 . 1 . . . . 177 HIS CE1 . 15824 1 487 . 1 1 59 59 HIS N N 15 116.611 0.3 . 1 . . . . 177 HIS N . 15824 1 488 . 1 1 60 60 ASP HA H 1 4.616 0.020 . 1 . . . . 178 ASP HA . 15824 1 489 . 1 1 60 60 ASP HB2 H 1 3.042 0.020 . 2 . . . . 178 ASP HB2 . 15824 1 490 . 1 1 60 60 ASP HB3 H 1 3.015 0.020 . 2 . . . . 178 ASP HB3 . 15824 1 491 . 1 1 60 60 ASP CA C 13 57.166 0.3 . 1 . . . . 178 ASP CA . 15824 1 492 . 1 1 60 60 ASP CB C 13 40.785 0.3 . 1 . . . . 178 ASP CB . 15824 1 493 . 1 1 60 60 ASP N N 15 118.688 0.3 . 1 . . . . 178 ASP N . 15824 1 494 . 1 1 61 61 CYS HA H 1 4.755 0.020 . 1 . . . . 179 CYS HA . 15824 1 495 . 1 1 61 61 CYS HB2 H 1 3.285 0.020 . 2 . . . . 179 CYS HB2 . 15824 1 496 . 1 1 61 61 CYS HB3 H 1 2.881 0.020 . 2 . . . . 179 CYS HB3 . 15824 1 497 . 1 1 61 61 CYS CA C 13 58.616 0.3 . 1 . . . . 179 CYS CA . 15824 1 498 . 1 1 61 61 CYS CB C 13 40.455 0.3 . 1 . . . . 179 CYS CB . 15824 1 499 . 1 1 61 61 CYS N N 15 119.621 0.3 . 1 . . . . 179 CYS N . 15824 1 500 . 1 1 62 62 VAL HA H 1 3.683 0.020 . 1 . . . . 180 VAL HA . 15824 1 501 . 1 1 62 62 VAL HB H 1 2.197 0.020 . 1 . . . . 180 VAL HB . 15824 1 502 . 1 1 62 62 VAL CA C 13 66.121 0.3 . 1 . . . . 180 VAL CA . 15824 1 503 . 1 1 62 62 VAL CB C 13 31.980 0.3 . 1 . . . . 180 VAL CB . 15824 1 504 . 1 1 62 62 VAL CG1 C 13 21.704 0.3 . 1 . . . . 180 VAL CG1 . 15824 1 505 . 1 1 62 62 VAL CG2 C 13 23.692 0.3 . 1 . . . . 180 VAL CG2 . 15824 1 506 . 1 1 62 62 VAL N N 15 124.724 0.3 . 1 . . . . 180 VAL N . 15824 1 507 . 1 1 63 63 ASN HA H 1 4.358 0.020 . 1 . . . . 181 ASN HA . 15824 1 508 . 1 1 63 63 ASN HB2 H 1 2.916 0.020 . 2 . . . . 181 ASN HB2 . 15824 1 509 . 1 1 63 63 ASN HB3 H 1 2.833 0.020 . 2 . . . . 181 ASN HB3 . 15824 1 510 . 1 1 63 63 ASN HD21 H 1 7.695 0.020 . 1 . . . . 181 ASN HD21 . 15824 1 511 . 1 1 63 63 ASN HD22 H 1 6.816 0.020 . 1 . . . . 181 ASN HD22 . 15824 1 512 . 1 1 63 63 ASN CA C 13 56.590 0.3 . 1 . . . . 181 ASN CA . 15824 1 513 . 1 1 63 63 ASN CB C 13 38.705 0.3 . 1 . . . . 181 ASN CB . 15824 1 514 . 1 1 63 63 ASN N N 15 116.488 0.3 . 1 . . . . 181 ASN N . 15824 1 515 . 1 1 63 63 ASN ND2 N 15 112.020 0.3 . 1 . . . . 181 ASN ND2 . 15824 1 516 . 1 1 64 64 ILE HA H 1 3.759 0.020 . 1 . . . . 182 ILE HA . 15824 1 517 . 1 1 64 64 ILE HB H 1 1.608 0.020 . 1 . . . . 182 ILE HB . 15824 1 518 . 1 1 64 64 ILE HG12 H 1 0.922 0.020 . 2 . . . . 182 ILE HG12 . 15824 1 519 . 1 1 64 64 ILE HG13 H 1 0.863 0.020 . 2 . . . . 182 ILE HG13 . 15824 1 520 . 1 1 64 64 ILE CA C 13 62.316 0.3 . 1 . . . . 182 ILE CA . 15824 1 521 . 1 1 64 64 ILE CB C 13 36.499 0.3 . 1 . . . . 182 ILE CB . 15824 1 522 . 1 1 64 64 ILE CD1 C 13 11.271 0.3 . 1 . . . . 182 ILE CD1 . 15824 1 523 . 1 1 64 64 ILE CG1 C 13 27.486 0.3 . 1 . . . . 182 ILE CG1 . 15824 1 524 . 1 1 64 64 ILE CG2 C 13 18.291 0.3 . 1 . . . . 182 ILE CG2 . 15824 1 525 . 1 1 64 64 ILE N N 15 118.954 0.3 . 1 . . . . 182 ILE N . 15824 1 526 . 1 1 65 65 THR HA H 1 4.094 0.020 . 1 . . . . 183 THR HA . 15824 1 527 . 1 1 65 65 THR HB H 1 4.542 0.020 . 1 . . . . 183 THR HB . 15824 1 528 . 1 1 65 65 THR HG1 H 1 6.465 0.020 . 1 . . . . 183 THR HG1 . 15824 1 529 . 1 1 65 65 THR CA C 13 68.779 0.3 . 1 . . . . 183 THR CA . 15824 1 530 . 1 1 65 65 THR CB C 13 68.321 0.3 . 1 . . . . 183 THR CB . 15824 1 531 . 1 1 65 65 THR CG2 C 13 22.266 0.3 . 1 . . . . 183 THR CG2 . 15824 1 532 . 1 1 65 65 THR N N 15 118.184 0.3 . 1 . . . . 183 THR N . 15824 1 533 . 1 1 66 66 ILE HA H 1 3.786 0.020 . 1 . . . . 184 ILE HA . 15824 1 534 . 1 1 66 66 ILE HB H 1 2.157 0.020 . 1 . . . . 184 ILE HB . 15824 1 535 . 1 1 66 66 ILE HG12 H 1 1.860 0.020 . 2 . . . . 184 ILE HG12 . 15824 1 536 . 1 1 66 66 ILE HG13 H 1 1.328 0.020 . 2 . . . . 184 ILE HG13 . 15824 1 537 . 1 1 66 66 ILE CA C 13 65.544 0.3 . 1 . . . . 184 ILE CA . 15824 1 538 . 1 1 66 66 ILE CB C 13 36.723 0.3 . 1 . . . . 184 ILE CB . 15824 1 539 . 1 1 66 66 ILE CD1 C 13 12.732 0.3 . 1 . . . . 184 ILE CD1 . 15824 1 540 . 1 1 66 66 ILE CG1 C 13 29.566 0.3 . 1 . . . . 184 ILE CG1 . 15824 1 541 . 1 1 66 66 ILE CG2 C 13 16.849 0.3 . 1 . . . . 184 ILE CG2 . 15824 1 542 . 1 1 66 66 ILE N N 15 120.927 0.3 . 1 . . . . 184 ILE N . 15824 1 543 . 1 1 67 67 LYS HA H 1 4.102 0.020 . 1 . . . . 185 LYS HA . 15824 1 544 . 1 1 67 67 LYS HG2 H 1 1.530 0.020 . 2 . . . . 185 LYS HG2 . 15824 1 545 . 1 1 67 67 LYS HG3 H 1 1.428 0.020 . 2 . . . . 185 LYS HG3 . 15824 1 546 . 1 1 67 67 LYS CA C 13 59.847 0.3 . 1 . . . . 185 LYS CA . 15824 1 547 . 1 1 67 67 LYS CB C 13 32.260 0.3 . 1 . . . . 185 LYS CB . 15824 1 548 . 1 1 67 67 LYS CD C 13 29.095 0.3 . 1 . . . . 185 LYS CD . 15824 1 549 . 1 1 67 67 LYS CE C 13 41.955 0.3 . 1 . . . . 185 LYS CE . 15824 1 550 . 1 1 67 67 LYS CG C 13 25.036 0.3 . 1 . . . . 185 LYS CG . 15824 1 551 . 1 1 67 67 LYS N N 15 122.711 0.3 . 1 . . . . 185 LYS N . 15824 1 552 . 1 1 68 68 GLN HA H 1 4.072 0.020 . 1 . . . . 186 GLN HA . 15824 1 553 . 1 1 68 68 GLN HB2 H 1 2.010 0.020 . 2 . . . . 186 GLN HB2 . 15824 1 554 . 1 1 68 68 GLN HB3 H 1 1.898 0.020 . 2 . . . . 186 GLN HB3 . 15824 1 555 . 1 1 68 68 GLN HE21 H 1 6.750 0.020 . 1 . . . . 186 GLN HE21 . 15824 1 556 . 1 1 68 68 GLN HE22 H 1 6.774 0.020 . 1 . . . . 186 GLN HE22 . 15824 1 557 . 1 1 68 68 GLN HG2 H 1 2.126 0.020 . 2 . . . . 186 GLN HG2 . 15824 1 558 . 1 1 68 68 GLN HG3 H 1 1.517 0.020 . 2 . . . . 186 GLN HG3 . 15824 1 559 . 1 1 68 68 GLN CA C 13 57.320 0.3 . 1 . . . . 186 GLN CA . 15824 1 560 . 1 1 68 68 GLN CB C 13 28.261 0.3 . 1 . . . . 186 GLN CB . 15824 1 561 . 1 1 68 68 GLN CG C 13 33.344 0.3 . 1 . . . . 186 GLN CG . 15824 1 562 . 1 1 68 68 GLN N N 15 116.267 0.3 . 1 . . . . 186 GLN N . 15824 1 563 . 1 1 68 68 GLN NE2 N 15 110.168 0.3 . 1 . . . . 186 GLN NE2 . 15824 1 564 . 1 1 69 69 HIS HA H 1 4.652 0.020 . 1 . . . . 187 HIS HA . 15824 1 565 . 1 1 69 69 HIS HB2 H 1 3.457 0.020 . 2 . . . . 187 HIS HB2 . 15824 1 566 . 1 1 69 69 HIS HB3 H 1 3.348 0.020 . 2 . . . . 187 HIS HB3 . 15824 1 567 . 1 1 69 69 HIS HD2 H 1 7.450 0.020 . 1 . . . . 187 HIS HD2 . 15824 1 568 . 1 1 69 69 HIS HE1 H 1 8.360 0.020 . 1 . . . . 187 HIS HE1 . 15824 1 569 . 1 1 69 69 HIS CA C 13 58.124 0.3 . 1 . . . . 187 HIS CA . 15824 1 570 . 1 1 69 69 HIS CB C 13 29.535 0.3 . 1 . . . . 187 HIS CB . 15824 1 571 . 1 1 69 69 HIS CD2 C 13 120.914 0.3 . 1 . . . . 187 HIS CD2 . 15824 1 572 . 1 1 69 69 HIS CE1 C 13 138.903 0.3 . 1 . . . . 187 HIS CE1 . 15824 1 573 . 1 1 69 69 HIS N N 15 117.680 0.3 . 1 . . . . 187 HIS N . 15824 1 574 . 1 1 70 70 THR HA H 1 4.317 0.020 . 1 . . . . 188 THR HA . 15824 1 575 . 1 1 70 70 THR HB H 1 4.439 0.020 . 1 . . . . 188 THR HB . 15824 1 576 . 1 1 70 70 THR CA C 13 64.334 0.3 . 1 . . . . 188 THR CA . 15824 1 577 . 1 1 70 70 THR CB C 13 69.364 0.3 . 1 . . . . 188 THR CB . 15824 1 578 . 1 1 70 70 THR CG2 C 13 21.509 0.3 . 1 . . . . 188 THR CG2 . 15824 1 579 . 1 1 70 70 THR N N 15 114.027 0.3 . 1 . . . . 188 THR N . 15824 1 580 . 1 1 71 71 VAL HA H 1 4.107 0.020 . 1 . . . . 189 VAL HA . 15824 1 581 . 1 1 71 71 VAL HB H 1 2.238 0.020 . 1 . . . . 189 VAL HB . 15824 1 582 . 1 1 71 71 VAL CA C 13 64.233 0.3 . 1 . . . . 189 VAL CA . 15824 1 583 . 1 1 71 71 VAL CB C 13 32.126 0.3 . 1 . . . . 189 VAL CB . 15824 1 584 . 1 1 71 71 VAL CG1 C 13 21.018 0.3 . 1 . . . . 189 VAL CG1 . 15824 1 585 . 1 1 71 71 VAL CG2 C 13 21.219 0.3 . 1 . . . . 189 VAL CG2 . 15824 1 586 . 1 1 71 71 VAL N N 15 121.981 0.3 . 1 . . . . 189 VAL N . 15824 1 587 . 1 1 72 72 THR HA H 1 4.344 0.020 . 1 . . . . 190 THR HA . 15824 1 588 . 1 1 72 72 THR HB H 1 4.309 0.020 . 1 . . . . 190 THR HB . 15824 1 589 . 1 1 72 72 THR CA C 13 63.226 0.3 . 1 . . . . 190 THR CA . 15824 1 590 . 1 1 72 72 THR CB C 13 69.320 0.3 . 1 . . . . 190 THR CB . 15824 1 591 . 1 1 72 72 THR CG2 C 13 21.592 0.3 . 1 . . . . 190 THR CG2 . 15824 1 592 . 1 1 72 72 THR N N 15 115.394 0.3 . 1 . . . . 190 THR N . 15824 1 593 . 1 1 73 73 THR HA H 1 4.341 0.020 . 1 . . . . 191 THR HA . 15824 1 594 . 1 1 73 73 THR HB H 1 4.253 0.020 . 1 . . . . 191 THR HB . 15824 1 595 . 1 1 73 73 THR CA C 13 63.146 0.3 . 1 . . . . 191 THR CA . 15824 1 596 . 1 1 73 73 THR CB C 13 69.239 0.3 . 1 . . . . 191 THR CB . 15824 1 597 . 1 1 73 73 THR CG2 C 13 21.477 0.3 . 1 . . . . 191 THR CG2 . 15824 1 598 . 1 1 73 73 THR N N 15 115.117 0.3 . 1 . . . . 191 THR N . 15824 1 599 . 1 1 74 74 THR HA H 1 4.440 0.020 . 1 . . . . 192 THR HA . 15824 1 600 . 1 1 74 74 THR HB H 1 4.405 0.020 . 1 . . . . 192 THR HB . 15824 1 601 . 1 1 74 74 THR CA C 13 63.261 0.3 . 1 . . . . 192 THR CA . 15824 1 602 . 1 1 74 74 THR CB C 13 69.409 0.3 . 1 . . . . 192 THR CB . 15824 1 603 . 1 1 74 74 THR CG2 C 13 21.521 0.3 . 1 . . . . 192 THR CG2 . 15824 1 604 . 1 1 74 74 THR N N 15 116.337 0.3 . 1 . . . . 192 THR N . 15824 1 605 . 1 1 75 75 THR HA H 1 4.306 0.020 . 1 . . . . 193 THR HA . 15824 1 606 . 1 1 75 75 THR HB H 1 4.311 0.020 . 1 . . . . 193 THR HB . 15824 1 607 . 1 1 75 75 THR CA C 13 63.165 0.3 . 1 . . . . 193 THR CA . 15824 1 608 . 1 1 75 75 THR CB C 13 69.294 0.3 . 1 . . . . 193 THR CB . 15824 1 609 . 1 1 75 75 THR CG2 C 13 21.487 0.3 . 1 . . . . 193 THR CG2 . 15824 1 610 . 1 1 75 75 THR N N 15 116.260 0.3 . 1 . . . . 193 THR N . 15824 1 611 . 1 1 76 76 LYS HA H 1 4.350 0.020 . 1 . . . . 194 LYS HA . 15824 1 612 . 1 1 76 76 LYS HB2 H 1 1.945 0.020 . 2 . . . . 194 LYS HB2 . 15824 1 613 . 1 1 76 76 LYS HB3 H 1 1.843 0.020 . 2 . . . . 194 LYS HB3 . 15824 1 614 . 1 1 76 76 LYS HG2 H 1 1.526 0.020 . 2 . . . . 194 LYS HG2 . 15824 1 615 . 1 1 76 76 LYS HG3 H 1 1.453 0.020 . 2 . . . . 194 LYS HG3 . 15824 1 616 . 1 1 76 76 LYS CA C 13 56.598 0.3 . 1 . . . . 194 LYS CA . 15824 1 617 . 1 1 76 76 LYS CB C 13 32.487 0.3 . 1 . . . . 194 LYS CB . 15824 1 618 . 1 1 76 76 LYS CD C 13 29.075 0.3 . 1 . . . . 194 LYS CD . 15824 1 619 . 1 1 76 76 LYS CE C 13 42.047 0.3 . 1 . . . . 194 LYS CE . 15824 1 620 . 1 1 76 76 LYS CG C 13 24.820 0.3 . 1 . . . . 194 LYS CG . 15824 1 621 . 1 1 76 76 LYS N N 15 121.544 0.3 . 1 . . . . 194 LYS N . 15824 1 622 . 1 1 77 77 GLY HA2 H 1 4.061 0.020 . 1 . . . . 195 GLY HA2 . 15824 1 623 . 1 1 77 77 GLY CA C 13 45.412 0.3 . 1 . . . . 195 GLY CA . 15824 1 624 . 1 1 77 77 GLY N N 15 109.306 0.3 . 1 . . . . 195 GLY N . 15824 1 625 . 1 1 78 78 GLU HA H 1 4.306 0.020 . 1 . . . . 196 GLU HA . 15824 1 626 . 1 1 78 78 GLU CA C 13 55.734 0.3 . 1 . . . . 196 GLU CA . 15824 1 627 . 1 1 78 78 GLU CB C 13 30.092 0.3 . 1 . . . . 196 GLU CB . 15824 1 628 . 1 1 78 78 GLU CG C 13 35.021 0.3 . 1 . . . . 196 GLU CG . 15824 1 629 . 1 1 78 78 GLU N N 15 120.003 0.3 . 1 . . . . 196 GLU N . 15824 1 630 . 1 1 79 79 ASN HA H 1 4.714 0.020 . 1 . . . . 197 ASN HA . 15824 1 631 . 1 1 79 79 ASN HB2 H 1 2.789 0.020 . 2 . . . . 197 ASN HB2 . 15824 1 632 . 1 1 79 79 ASN HB3 H 1 2.700 0.020 . 2 . . . . 197 ASN HB3 . 15824 1 633 . 1 1 79 79 ASN HD21 H 1 7.593 0.020 . 1 . . . . 197 ASN HD21 . 15824 1 634 . 1 1 79 79 ASN HD22 H 1 6.884 0.020 . 1 . . . . 197 ASN HD22 . 15824 1 635 . 1 1 79 79 ASN CA C 13 52.990 0.3 . 1 . . . . 197 ASN CA . 15824 1 636 . 1 1 79 79 ASN CB C 13 39.504 0.3 . 1 . . . . 197 ASN CB . 15824 1 637 . 1 1 79 79 ASN N N 15 119.875 0.3 . 1 . . . . 197 ASN N . 15824 1 638 . 1 1 79 79 ASN ND2 N 15 113.125 0.3 . 1 . . . . 197 ASN ND2 . 15824 1 639 . 1 1 80 80 PHE HA H 1 5.288 0.020 . 1 . . . . 198 PHE HA . 15824 1 640 . 1 1 80 80 PHE HB2 H 1 3.073 0.020 . 2 . . . . 198 PHE HB2 . 15824 1 641 . 1 1 80 80 PHE HB3 H 1 3.247 0.020 . 2 . . . . 198 PHE HB3 . 15824 1 642 . 1 1 80 80 PHE HD1 H 1 7.412 0.020 . 3 . . . . 198 PHE HD1 . 15824 1 643 . 1 1 80 80 PHE HD2 H 1 7.449 0.020 . 3 . . . . 198 PHE HD2 . 15824 1 644 . 1 1 80 80 PHE HE1 H 1 7.516 0.020 . 3 . . . . 198 PHE HE1 . 15824 1 645 . 1 1 80 80 PHE HE2 H 1 7.453 0.020 . 3 . . . . 198 PHE HE2 . 15824 1 646 . 1 1 80 80 PHE CA C 13 56.855 0.3 . 1 . . . . 198 PHE CA . 15824 1 647 . 1 1 80 80 PHE CB C 13 39.894 0.3 . 1 . . . . 198 PHE CB . 15824 1 648 . 1 1 80 80 PHE CD1 C 13 132.871 0.3 . 1 . . . . 198 PHE CD1 . 15824 1 649 . 1 1 80 80 PHE CE1 C 13 131.206 0.3 . 1 . . . . 198 PHE CE1 . 15824 1 650 . 1 1 80 80 PHE N N 15 122.174 0.3 . 1 . . . . 198 PHE N . 15824 1 651 . 1 1 81 81 THR HA H 1 4.649 0.020 . 1 . . . . 199 THR HA . 15824 1 652 . 1 1 81 81 THR HB H 1 4.887 0.020 . 1 . . . . 199 THR HB . 15824 1 653 . 1 1 81 81 THR CA C 13 60.742 0.3 . 1 . . . . 199 THR CA . 15824 1 654 . 1 1 81 81 THR CB C 13 72.166 0.3 . 1 . . . . 199 THR CB . 15824 1 655 . 1 1 81 81 THR CG2 C 13 21.705 0.3 . 1 . . . . 199 THR CG2 . 15824 1 656 . 1 1 81 81 THR N N 15 116.348 0.3 . 1 . . . . 199 THR N . 15824 1 657 . 1 1 82 82 GLU HA H 1 4.151 0.020 . 1 . . . . 200 GLU HA . 15824 1 658 . 1 1 82 82 GLU HB2 H 1 2.181 0.020 . 2 . . . . 200 GLU HB2 . 15824 1 659 . 1 1 82 82 GLU HB3 H 1 2.113 0.020 . 2 . . . . 200 GLU HB3 . 15824 1 660 . 1 1 82 82 GLU HG2 H 1 2.493 0.020 . 2 . . . . 200 GLU HG2 . 15824 1 661 . 1 1 82 82 GLU HG3 H 1 2.448 0.020 . 2 . . . . 200 GLU HG3 . 15824 1 662 . 1 1 82 82 GLU CA C 13 59.594 0.3 . 1 . . . . 200 GLU CA . 15824 1 663 . 1 1 82 82 GLU CB C 13 28.447 0.3 . 1 . . . . 200 GLU CB . 15824 1 664 . 1 1 82 82 GLU CG C 13 35.058 0.3 . 1 . . . . 200 GLU CG . 15824 1 665 . 1 1 82 82 GLU N N 15 119.942 0.3 . 1 . . . . 200 GLU N . 15824 1 666 . 1 1 83 83 THR HA H 1 3.864 0.020 . 1 . . . . 201 THR HA . 15824 1 667 . 1 1 83 83 THR HB H 1 3.815 0.020 . 1 . . . . 201 THR HB . 15824 1 668 . 1 1 83 83 THR CA C 13 66.769 0.3 . 1 . . . . 201 THR CA . 15824 1 669 . 1 1 83 83 THR CB C 13 68.701 0.3 . 1 . . . . 201 THR CB . 15824 1 670 . 1 1 83 83 THR CG2 C 13 21.391 0.3 . 1 . . . . 201 THR CG2 . 15824 1 671 . 1 1 83 83 THR N N 15 116.428 0.3 . 1 . . . . 201 THR N . 15824 1 672 . 1 1 84 84 ASP HA H 1 4.615 0.020 . 1 . . . . 202 ASP HA . 15824 1 673 . 1 1 84 84 ASP HB2 H 1 3.265 0.020 . 2 . . . . 202 ASP HB2 . 15824 1 674 . 1 1 84 84 ASP HB3 H 1 2.501 0.020 . 2 . . . . 202 ASP HB3 . 15824 1 675 . 1 1 84 84 ASP CA C 13 57.940 0.3 . 1 . . . . 202 ASP CA . 15824 1 676 . 1 1 84 84 ASP CB C 13 41.113 0.3 . 1 . . . . 202 ASP CB . 15824 1 677 . 1 1 84 84 ASP N N 15 120.328 0.3 . 1 . . . . 202 ASP N . 15824 1 678 . 1 1 85 85 VAL HA H 1 3.445 0.020 . 1 . . . . 203 VAL HA . 15824 1 679 . 1 1 85 85 VAL HB H 1 2.209 0.020 . 1 . . . . 203 VAL HB . 15824 1 680 . 1 1 85 85 VAL CA C 13 67.591 0.3 . 1 . . . . 203 VAL CA . 15824 1 681 . 1 1 85 85 VAL CB C 13 31.601 0.3 . 1 . . . . 203 VAL CB . 15824 1 682 . 1 1 85 85 VAL CG1 C 13 22.770 0.3 . 1 . . . . 203 VAL CG1 . 15824 1 683 . 1 1 85 85 VAL CG2 C 13 21.109 0.3 . 1 . . . . 203 VAL CG2 . 15824 1 684 . 1 1 85 85 VAL N N 15 119.843 0.3 . 1 . . . . 203 VAL N . 15824 1 685 . 1 1 86 86 LYS HA H 1 4.122 0.020 . 1 . . . . 204 LYS HA . 15824 1 686 . 1 1 86 86 LYS HG2 H 1 1.674 0.020 . 2 . . . . 204 LYS HG2 . 15824 1 687 . 1 1 86 86 LYS HG3 H 1 1.481 0.020 . 2 . . . . 204 LYS HG3 . 15824 1 688 . 1 1 86 86 LYS CA C 13 59.395 0.3 . 1 . . . . 204 LYS CA . 15824 1 689 . 1 1 86 86 LYS CB C 13 32.175 0.3 . 1 . . . . 204 LYS CB . 15824 1 690 . 1 1 86 86 LYS CD C 13 29.240 0.3 . 1 . . . . 204 LYS CD . 15824 1 691 . 1 1 86 86 LYS CE C 13 42.095 0.3 . 1 . . . . 204 LYS CE . 15824 1 692 . 1 1 86 86 LYS CG C 13 25.121 0.3 . 1 . . . . 204 LYS CG . 15824 1 693 . 1 1 86 86 LYS N N 15 119.308 0.3 . 1 . . . . 204 LYS N . 15824 1 694 . 1 1 87 87 MET HA H 1 4.184 0.020 . 1 . . . . 205 MET HA . 15824 1 695 . 1 1 87 87 MET HB2 H 1 2.363 0.020 . 2 . . . . 205 MET HB2 . 15824 1 696 . 1 1 87 87 MET HB3 H 1 1.929 0.020 . 2 . . . . 205 MET HB3 . 15824 1 697 . 1 1 87 87 MET HG2 H 1 3.046 0.020 . 2 . . . . 205 MET HG2 . 15824 1 698 . 1 1 87 87 MET HG3 H 1 2.381 0.020 . 2 . . . . 205 MET HG3 . 15824 1 699 . 1 1 87 87 MET CA C 13 59.699 0.3 . 1 . . . . 205 MET CA . 15824 1 700 . 1 1 87 87 MET CB C 13 32.782 0.3 . 1 . . . . 205 MET CB . 15824 1 701 . 1 1 87 87 MET CE C 13 18.081 0.3 . 1 . . . . 205 MET CE . 15824 1 702 . 1 1 87 87 MET CG C 13 33.796 0.3 . 1 . . . . 205 MET CG . 15824 1 703 . 1 1 87 87 MET N N 15 118.761 0.3 . 1 . . . . 205 MET N . 15824 1 704 . 1 1 88 88 MET HA H 1 3.623 0.020 . 1 . . . . 206 MET HA . 15824 1 705 . 1 1 88 88 MET HB2 H 1 1.903 0.020 . 2 . . . . 206 MET HB2 . 15824 1 706 . 1 1 88 88 MET HB3 H 1 1.926 0.020 . 2 . . . . 206 MET HB3 . 15824 1 707 . 1 1 88 88 MET HG2 H 1 2.105 0.020 . 2 . . . . 206 MET HG2 . 15824 1 708 . 1 1 88 88 MET HG3 H 1 2.011 0.020 . 2 . . . . 206 MET HG3 . 15824 1 709 . 1 1 88 88 MET CA C 13 59.428 0.3 . 1 . . . . 206 MET CA . 15824 1 710 . 1 1 88 88 MET CB C 13 33.044 0.3 . 1 . . . . 206 MET CB . 15824 1 711 . 1 1 88 88 MET CE C 13 16.345 0.3 . 1 . . . . 206 MET CE . 15824 1 712 . 1 1 88 88 MET CG C 13 32.413 0.3 . 1 . . . . 206 MET CG . 15824 1 713 . 1 1 88 88 MET N N 15 118.403 0.3 . 1 . . . . 206 MET N . 15824 1 714 . 1 1 89 89 GLU HA H 1 3.745 0.020 . 1 . . . . 207 GLU HA . 15824 1 715 . 1 1 89 89 GLU HB2 H 1 2.266 0.020 . 2 . . . . 207 GLU HB2 . 15824 1 716 . 1 1 89 89 GLU HB3 H 1 2.152 0.020 . 2 . . . . 207 GLU HB3 . 15824 1 717 . 1 1 89 89 GLU HG2 H 1 2.621 0.020 . 2 . . . . 207 GLU HG2 . 15824 1 718 . 1 1 89 89 GLU HG3 H 1 2.311 0.020 . 2 . . . . 207 GLU HG3 . 15824 1 719 . 1 1 89 89 GLU CA C 13 60.455 0.3 . 1 . . . . 207 GLU CA . 15824 1 720 . 1 1 89 89 GLU CB C 13 27.924 0.3 . 1 . . . . 207 GLU CB . 15824 1 721 . 1 1 89 89 GLU CG C 13 34.723 0.3 . 1 . . . . 207 GLU CG . 15824 1 722 . 1 1 89 89 GLU N N 15 118.285 0.3 . 1 . . . . 207 GLU N . 15824 1 723 . 1 1 90 90 ARG HA H 1 4.196 0.020 . 1 . . . . 208 ARG HA . 15824 1 724 . 1 1 90 90 ARG HB2 H 1 1.957 0.020 . 2 . . . . 208 ARG HB2 . 15824 1 725 . 1 1 90 90 ARG HB3 H 1 2.125 0.020 . 2 . . . . 208 ARG HB3 . 15824 1 726 . 1 1 90 90 ARG HD2 H 1 3.260 0.020 . 2 . . . . 208 ARG HD2 . 15824 1 727 . 1 1 90 90 ARG HD3 H 1 3.176 0.020 . 2 . . . . 208 ARG HD3 . 15824 1 728 . 1 1 90 90 ARG HE H 1 7.319 0.020 . 1 . . . . 208 ARG HE . 15824 1 729 . 1 1 90 90 ARG HG2 H 1 1.832 0.020 . 2 . . . . 208 ARG HG2 . 15824 1 730 . 1 1 90 90 ARG HG3 H 1 1.780 0.020 . 2 . . . . 208 ARG HG3 . 15824 1 731 . 1 1 90 90 ARG CA C 13 58.319 0.3 . 1 . . . . 208 ARG CA . 15824 1 732 . 1 1 90 90 ARG CB C 13 29.758 0.3 . 1 . . . . 208 ARG CB . 15824 1 733 . 1 1 90 90 ARG CD C 13 42.404 0.3 . 1 . . . . 208 ARG CD . 15824 1 734 . 1 1 90 90 ARG CG C 13 27.020 0.3 . 1 . . . . 208 ARG CG . 15824 1 735 . 1 1 90 90 ARG N N 15 117.069 0.3 . 1 . . . . 208 ARG N . 15824 1 736 . 1 1 90 90 ARG NE N 15 83.228 0.3 . 1 . . . . 208 ARG NE . 15824 1 737 . 1 1 91 91 VAL HA H 1 3.728 0.020 . 1 . . . . 209 VAL HA . 15824 1 738 . 1 1 91 91 VAL HB H 1 2.342 0.020 . 1 . . . . 209 VAL HB . 15824 1 739 . 1 1 91 91 VAL CA C 13 66.160 0.3 . 1 . . . . 209 VAL CA . 15824 1 740 . 1 1 91 91 VAL CB C 13 32.417 0.3 . 1 . . . . 209 VAL CB . 15824 1 741 . 1 1 91 91 VAL CG1 C 13 24.129 0.3 . 1 . . . . 209 VAL CG1 . 15824 1 742 . 1 1 91 91 VAL CG2 C 13 21.055 0.3 . 1 . . . . 209 VAL CG2 . 15824 1 743 . 1 1 91 91 VAL N N 15 119.520 0.3 . 1 . . . . 209 VAL N . 15824 1 744 . 1 1 92 92 VAL HA H 1 3.663 0.020 . 1 . . . . 210 VAL HA . 15824 1 745 . 1 1 92 92 VAL HB H 1 2.295 0.020 . 1 . . . . 210 VAL HB . 15824 1 746 . 1 1 92 92 VAL CA C 13 66.557 0.3 . 1 . . . . 210 VAL CA . 15824 1 747 . 1 1 92 92 VAL CB C 13 31.323 0.3 . 1 . . . . 210 VAL CB . 15824 1 748 . 1 1 92 92 VAL CG1 C 13 24.432 0.3 . 1 . . . . 210 VAL CG1 . 15824 1 749 . 1 1 92 92 VAL CG2 C 13 24.058 0.3 . 1 . . . . 210 VAL CG2 . 15824 1 750 . 1 1 92 92 VAL N N 15 120.412 0.3 . 1 . . . . 210 VAL N . 15824 1 751 . 1 1 93 93 GLU HA H 1 3.642 0.020 . 1 . . . . 211 GLU HA . 15824 1 752 . 1 1 93 93 GLU HB2 H 1 2.266 0.020 . 2 . . . . 211 GLU HB2 . 15824 1 753 . 1 1 93 93 GLU HB3 H 1 2.175 0.020 . 2 . . . . 211 GLU HB3 . 15824 1 754 . 1 1 93 93 GLU HG2 H 1 2.323 0.020 . 2 . . . . 211 GLU HG2 . 15824 1 755 . 1 1 93 93 GLU HG3 H 1 2.245 0.020 . 2 . . . . 211 GLU HG3 . 15824 1 756 . 1 1 93 93 GLU CA C 13 60.926 0.3 . 1 . . . . 211 GLU CA . 15824 1 757 . 1 1 93 93 GLU CB C 13 28.357 0.3 . 1 . . . . 211 GLU CB . 15824 1 758 . 1 1 93 93 GLU CG C 13 35.075 0.3 . 1 . . . . 211 GLU CG . 15824 1 759 . 1 1 93 93 GLU N N 15 120.374 0.3 . 1 . . . . 211 GLU N . 15824 1 760 . 1 1 94 94 GLN HA H 1 4.028 0.020 . 1 . . . . 212 GLN HA . 15824 1 761 . 1 1 94 94 GLN HB2 H 1 2.171 0.020 . 2 . . . . 212 GLN HB2 . 15824 1 762 . 1 1 94 94 GLN HB3 H 1 2.188 0.020 . 2 . . . . 212 GLN HB3 . 15824 1 763 . 1 1 94 94 GLN HE21 H 1 7.444 0.020 . 1 . . . . 212 GLN HE21 . 15824 1 764 . 1 1 94 94 GLN HE22 H 1 6.827 0.020 . 1 . . . . 212 GLN HE22 . 15824 1 765 . 1 1 94 94 GLN HG2 H 1 2.501 0.020 . 2 . . . . 212 GLN HG2 . 15824 1 766 . 1 1 94 94 GLN HG3 H 1 2.431 0.020 . 2 . . . . 212 GLN HG3 . 15824 1 767 . 1 1 94 94 GLN CA C 13 59.114 0.3 . 1 . . . . 212 GLN CA . 15824 1 768 . 1 1 94 94 GLN CB C 13 27.921 0.3 . 1 . . . . 212 GLN CB . 15824 1 769 . 1 1 94 94 GLN CG C 13 33.953 0.3 . 1 . . . . 212 GLN CG . 15824 1 770 . 1 1 94 94 GLN N N 15 115.615 0.3 . 1 . . . . 212 GLN N . 15824 1 771 . 1 1 94 94 GLN NE2 N 15 111.825 0.3 . 1 . . . . 212 GLN NE2 . 15824 1 772 . 1 1 95 95 MET HA H 1 4.188 0.020 . 1 . . . . 213 MET HA . 15824 1 773 . 1 1 95 95 MET HB2 H 1 2.280 0.020 . 2 . . . . 213 MET HB2 . 15824 1 774 . 1 1 95 95 MET HB3 H 1 2.247 0.020 . 2 . . . . 213 MET HB3 . 15824 1 775 . 1 1 95 95 MET HG2 H 1 2.892 0.020 . 2 . . . . 213 MET HG2 . 15824 1 776 . 1 1 95 95 MET HG3 H 1 2.543 0.020 . 2 . . . . 213 MET HG3 . 15824 1 777 . 1 1 95 95 MET CA C 13 59.931 0.3 . 1 . . . . 213 MET CA . 15824 1 778 . 1 1 95 95 MET CB C 13 34.309 0.3 . 1 . . . . 213 MET CB . 15824 1 779 . 1 1 95 95 MET CE C 13 17.022 0.3 . 1 . . . . 213 MET CE . 15824 1 780 . 1 1 95 95 MET CG C 13 32.658 0.3 . 1 . . . . 213 MET CG . 15824 1 781 . 1 1 95 95 MET N N 15 119.426 0.3 . 1 . . . . 213 MET N . 15824 1 782 . 1 1 96 96 CYS HA H 1 4.457 0.020 . 1 . . . . 214 CYS HA . 15824 1 783 . 1 1 96 96 CYS HB2 H 1 3.568 0.020 . 2 . . . . 214 CYS HB2 . 15824 1 784 . 1 1 96 96 CYS HB3 H 1 2.898 0.020 . 2 . . . . 214 CYS HB3 . 15824 1 785 . 1 1 96 96 CYS CA C 13 59.944 0.3 . 1 . . . . 214 CYS CA . 15824 1 786 . 1 1 96 96 CYS CB C 13 41.637 0.3 . 1 . . . . 214 CYS CB . 15824 1 787 . 1 1 96 96 CYS N N 15 119.250 0.3 . 1 . . . . 214 CYS N . 15824 1 788 . 1 1 97 97 VAL HA H 1 3.505 0.020 . 1 . . . . 215 VAL HA . 15824 1 789 . 1 1 97 97 VAL HB H 1 2.343 0.020 . 1 . . . . 215 VAL HB . 15824 1 790 . 1 1 97 97 VAL CA C 13 67.609 0.3 . 1 . . . . 215 VAL CA . 15824 1 791 . 1 1 97 97 VAL CB C 13 31.498 0.3 . 1 . . . . 215 VAL CB . 15824 1 792 . 1 1 97 97 VAL CG1 C 13 23.767 0.3 . 1 . . . . 215 VAL CG1 . 15824 1 793 . 1 1 97 97 VAL CG2 C 13 21.235 0.3 . 1 . . . . 215 VAL CG2 . 15824 1 794 . 1 1 97 97 VAL N N 15 123.359 0.3 . 1 . . . . 215 VAL N . 15824 1 795 . 1 1 98 98 THR HA H 1 3.939 0.020 . 1 . . . . 216 THR HA . 15824 1 796 . 1 1 98 98 THR HB H 1 4.341 0.020 . 1 . . . . 216 THR HB . 15824 1 797 . 1 1 98 98 THR CA C 13 66.975 0.3 . 1 . . . . 216 THR CA . 15824 1 798 . 1 1 98 98 THR CB C 13 68.308 0.3 . 1 . . . . 216 THR CB . 15824 1 799 . 1 1 98 98 THR CG2 C 13 22.366 0.3 . 1 . . . . 216 THR CG2 . 15824 1 800 . 1 1 98 98 THR N N 15 118.119 0.3 . 1 . . . . 216 THR N . 15824 1 801 . 1 1 99 99 GLN HA H 1 3.675 0.020 . 1 . . . . 217 GLN HA . 15824 1 802 . 1 1 99 99 GLN HB2 H 1 2.391 0.020 . 2 . . . . 217 GLN HB2 . 15824 1 803 . 1 1 99 99 GLN HB3 H 1 2.123 0.020 . 2 . . . . 217 GLN HB3 . 15824 1 804 . 1 1 99 99 GLN HE21 H 1 7.233 0.020 . 1 . . . . 217 GLN HE21 . 15824 1 805 . 1 1 99 99 GLN HE22 H 1 6.759 0.020 . 1 . . . . 217 GLN HE22 . 15824 1 806 . 1 1 99 99 GLN HG2 H 1 1.799 0.020 . 2 . . . . 217 GLN HG2 . 15824 1 807 . 1 1 99 99 GLN HG3 H 1 1.648 0.020 . 2 . . . . 217 GLN HG3 . 15824 1 808 . 1 1 99 99 GLN CA C 13 58.560 0.3 . 1 . . . . 217 GLN CA . 15824 1 809 . 1 1 99 99 GLN CB C 13 28.362 0.3 . 1 . . . . 217 GLN CB . 15824 1 810 . 1 1 99 99 GLN CG C 13 32.449 0.3 . 1 . . . . 217 GLN CG . 15824 1 811 . 1 1 99 99 GLN N N 15 122.551 0.3 . 1 . . . . 217 GLN N . 15824 1 812 . 1 1 99 99 GLN NE2 N 15 114.463 0.3 . 1 . . . . 217 GLN NE2 . 15824 1 813 . 1 1 100 100 TYR HA H 1 2.941 0.020 . 1 . . . . 218 TYR HA . 15824 1 814 . 1 1 100 100 TYR HB2 H 1 2.765 0.020 . 2 . . . . 218 TYR HB2 . 15824 1 815 . 1 1 100 100 TYR HB3 H 1 3.073 0.020 . 2 . . . . 218 TYR HB3 . 15824 1 816 . 1 1 100 100 TYR CA C 13 62.039 0.3 . 1 . . . . 218 TYR CA . 15824 1 817 . 1 1 100 100 TYR CB C 13 37.056 0.3 . 1 . . . . 218 TYR CB . 15824 1 818 . 1 1 100 100 TYR CD1 C 13 133.992 0.3 . 1 . . . . 218 TYR CD1 . 15824 1 819 . 1 1 100 100 TYR CE1 C 13 119.099 0.3 . 1 . . . . 218 TYR CE1 . 15824 1 820 . 1 1 100 100 TYR N N 15 119.923 0.3 . 1 . . . . 218 TYR N . 15824 1 821 . 1 1 101 101 GLN HA H 1 3.736 0.020 . 1 . . . . 219 GLN HA . 15824 1 822 . 1 1 101 101 GLN HB2 H 1 2.346 0.020 . 2 . . . . 219 GLN HB2 . 15824 1 823 . 1 1 101 101 GLN HB3 H 1 2.093 0.020 . 2 . . . . 219 GLN HB3 . 15824 1 824 . 1 1 101 101 GLN HE21 H 1 7.457 0.020 . 1 . . . . 219 GLN HE21 . 15824 1 825 . 1 1 101 101 GLN HE22 H 1 6.832 0.020 . 1 . . . . 219 GLN HE22 . 15824 1 826 . 1 1 101 101 GLN HG2 H 1 2.736 0.020 . 2 . . . . 219 GLN HG2 . 15824 1 827 . 1 1 101 101 GLN HG3 H 1 2.490 0.020 . 2 . . . . 219 GLN HG3 . 15824 1 828 . 1 1 101 101 GLN CA C 13 59.034 0.3 . 1 . . . . 219 GLN CA . 15824 1 829 . 1 1 101 101 GLN CB C 13 27.551 0.3 . 1 . . . . 219 GLN CB . 15824 1 830 . 1 1 101 101 GLN CG C 13 33.736 0.3 . 1 . . . . 219 GLN CG . 15824 1 831 . 1 1 101 101 GLN N N 15 119.703 0.3 . 1 . . . . 219 GLN N . 15824 1 832 . 1 1 101 101 GLN NE2 N 15 110.888 0.3 . 1 . . . . 219 GLN NE2 . 15824 1 833 . 1 1 102 102 LYS HA H 1 4.019 0.020 . 1 . . . . 220 LYS HA . 15824 1 834 . 1 1 102 102 LYS HB2 H 1 1.901 0.020 . 2 . . . . 220 LYS HB2 . 15824 1 835 . 1 1 102 102 LYS HB3 H 1 1.840 0.020 . 2 . . . . 220 LYS HB3 . 15824 1 836 . 1 1 102 102 LYS HG2 H 1 1.558 0.020 . 2 . . . . 220 LYS HG2 . 15824 1 837 . 1 1 102 102 LYS HG3 H 1 1.400 0.020 . 2 . . . . 220 LYS HG3 . 15824 1 838 . 1 1 102 102 LYS CA C 13 59.232 0.3 . 1 . . . . 220 LYS CA . 15824 1 839 . 1 1 102 102 LYS CB C 13 32.351 0.3 . 1 . . . . 220 LYS CB . 15824 1 840 . 1 1 102 102 LYS CD C 13 29.424 0.3 . 1 . . . . 220 LYS CD . 15824 1 841 . 1 1 102 102 LYS CE C 13 41.974 0.3 . 1 . . . . 220 LYS CE . 15824 1 842 . 1 1 102 102 LYS CG C 13 24.877 0.3 . 1 . . . . 220 LYS CG . 15824 1 843 . 1 1 102 102 LYS N N 15 119.124 0.3 . 1 . . . . 220 LYS N . 15824 1 844 . 1 1 103 103 GLU HA H 1 4.112 0.020 . 1 . . . . 221 GLU HA . 15824 1 845 . 1 1 103 103 GLU HB2 H 1 1.637 0.020 . 2 . . . . 221 GLU HB2 . 15824 1 846 . 1 1 103 103 GLU HB3 H 1 2.231 0.020 . 2 . . . . 221 GLU HB3 . 15824 1 847 . 1 1 103 103 GLU HG2 H 1 2.198 0.020 . 2 . . . . 221 GLU HG2 . 15824 1 848 . 1 1 103 103 GLU HG3 H 1 2.472 0.020 . 2 . . . . 221 GLU HG3 . 15824 1 849 . 1 1 103 103 GLU CA C 13 57.451 0.3 . 1 . . . . 221 GLU CA . 15824 1 850 . 1 1 103 103 GLU CB C 13 29.258 0.3 . 1 . . . . 221 GLU CB . 15824 1 851 . 1 1 103 103 GLU CG C 13 35.347 0.3 . 1 . . . . 221 GLU CG . 15824 1 852 . 1 1 103 103 GLU N N 15 117.554 0.3 . 1 . . . . 221 GLU N . 15824 1 853 . 1 1 104 104 SER HA H 1 4.017 0.020 . 1 . . . . 222 SER HA . 15824 1 854 . 1 1 104 104 SER HB2 H 1 3.607 0.020 . 2 . . . . 222 SER HB2 . 15824 1 855 . 1 1 104 104 SER HB3 H 1 3.385 0.020 . 2 . . . . 222 SER HB3 . 15824 1 856 . 1 1 104 104 SER CA C 13 60.922 0.3 . 1 . . . . 222 SER CA . 15824 1 857 . 1 1 104 104 SER CB C 13 62.633 0.3 . 1 . . . . 222 SER CB . 15824 1 858 . 1 1 104 104 SER N N 15 115.136 0.3 . 1 . . . . 222 SER N . 15824 1 859 . 1 1 105 105 GLN HA H 1 4.173 0.020 . 1 . . . . 223 GLN HA . 15824 1 860 . 1 1 105 105 GLN HE21 H 1 7.557 0.020 . 1 . . . . 223 GLN HE21 . 15824 1 861 . 1 1 105 105 GLN HE22 H 1 6.832 0.020 . 1 . . . . 223 GLN HE22 . 15824 1 862 . 1 1 105 105 GLN HG2 H 1 2.493 0.020 . 2 . . . . 223 GLN HG2 . 15824 1 863 . 1 1 105 105 GLN HG3 H 1 2.406 0.020 . 2 . . . . 223 GLN HG3 . 15824 1 864 . 1 1 105 105 GLN CA C 13 57.947 0.3 . 1 . . . . 223 GLN CA . 15824 1 865 . 1 1 105 105 GLN CB C 13 28.393 0.3 . 1 . . . . 223 GLN CB . 15824 1 866 . 1 1 105 105 GLN CG C 13 33.773 0.3 . 1 . . . . 223 GLN CG . 15824 1 867 . 1 1 105 105 GLN N N 15 120.738 0.3 . 1 . . . . 223 GLN N . 15824 1 868 . 1 1 105 105 GLN NE2 N 15 111.858 0.3 . 1 . . . . 223 GLN NE2 . 15824 1 869 . 1 1 106 106 ALA HA H 1 4.193 0.020 . 1 . . . . 224 ALA HA . 15824 1 870 . 1 1 106 106 ALA CA C 13 53.901 0.3 . 1 . . . . 224 ALA CA . 15824 1 871 . 1 1 106 106 ALA CB C 13 18.490 0.3 . 1 . . . . 224 ALA CB . 15824 1 872 . 1 1 106 106 ALA N N 15 121.017 0.3 . 1 . . . . 224 ALA N . 15824 1 873 . 1 1 107 107 TYR HA H 1 4.322 0.020 . 1 . . . . 225 TYR HA . 15824 1 874 . 1 1 107 107 TYR HB2 H 1 3.013 0.020 . 2 . . . . 225 TYR HB2 . 15824 1 875 . 1 1 107 107 TYR HB3 H 1 2.850 0.020 . 2 . . . . 225 TYR HB3 . 15824 1 876 . 1 1 107 107 TYR CA C 13 59.660 0.3 . 1 . . . . 225 TYR CA . 15824 1 877 . 1 1 107 107 TYR CB C 13 38.669 0.3 . 1 . . . . 225 TYR CB . 15824 1 878 . 1 1 107 107 TYR CD1 C 13 134.382 0.3 . 1 . . . . 225 TYR CD1 . 15824 1 879 . 1 1 107 107 TYR CE1 C 13 119.402 0.3 . 1 . . . . 225 TYR CE1 . 15824 1 880 . 1 1 107 107 TYR N N 15 118.829 0.3 . 1 . . . . 225 TYR N . 15824 1 881 . 1 1 108 108 TYR HA H 1 4.367 0.020 . 1 . . . . 226 TYR HA . 15824 1 882 . 1 1 108 108 TYR HB2 H 1 3.166 0.020 . 2 . . . . 226 TYR HB2 . 15824 1 883 . 1 1 108 108 TYR HB3 H 1 3.004 0.020 . 2 . . . . 226 TYR HB3 . 15824 1 884 . 1 1 108 108 TYR CA C 13 59.267 0.3 . 1 . . . . 226 TYR CA . 15824 1 885 . 1 1 108 108 TYR CB C 13 38.373 0.3 . 1 . . . . 226 TYR CB . 15824 1 886 . 1 1 108 108 TYR CD1 C 13 134.696 0.3 . 1 . . . . 226 TYR CD1 . 15824 1 887 . 1 1 108 108 TYR CE1 C 13 119.548 0.3 . 1 . . . . 226 TYR CE1 . 15824 1 888 . 1 1 108 108 TYR N N 15 120.185 0.3 . 1 . . . . 226 TYR N . 15824 1 889 . 1 1 109 109 GLU HA H 1 4.253 0.020 . 1 . . . . 227 GLU HA . 15824 1 890 . 1 1 109 109 GLU CA C 13 56.767 0.3 . 1 . . . . 227 GLU CA . 15824 1 891 . 1 1 109 109 GLU CB C 13 28.664 0.3 . 1 . . . . 227 GLU CB . 15824 1 892 . 1 1 109 109 GLU CG C 13 33.773 0.3 . 1 . . . . 227 GLU CG . 15824 1 893 . 1 1 109 109 GLU N N 15 120.201 0.3 . 1 . . . . 227 GLU N . 15824 1 894 . 1 1 110 110 GLY CA C 13 45.603 0.3 . 1 . . . . 228 GLY CA . 15824 1 895 . 1 1 110 110 GLY N N 15 108.759 0.3 . 1 . . . . 228 GLY N . 15824 1 896 . 1 1 111 111 ARG HA H 1 4.473 0.020 . 1 . . . . 229 ARG HA . 15824 1 897 . 1 1 111 111 ARG HB2 H 1 1.762 0.020 . 2 . . . . 229 ARG HB2 . 15824 1 898 . 1 1 111 111 ARG HB3 H 1 1.927 0.020 . 2 . . . . 229 ARG HB3 . 15824 1 899 . 1 1 111 111 ARG HE H 1 7.175 0.020 . 1 . . . . 229 ARG HE . 15824 1 900 . 1 1 111 111 ARG CA C 13 55.824 0.3 . 1 . . . . 229 ARG CA . 15824 1 901 . 1 1 111 111 ARG CB C 13 31.076 0.3 . 1 . . . . 229 ARG CB . 15824 1 902 . 1 1 111 111 ARG CD C 13 43.303 0.3 . 1 . . . . 229 ARG CD . 15824 1 903 . 1 1 111 111 ARG CG C 13 27.098 0.3 . 1 . . . . 229 ARG CG . 15824 1 904 . 1 1 111 111 ARG N N 15 119.924 0.3 . 1 . . . . 229 ARG N . 15824 1 905 . 1 1 111 111 ARG NE N 15 84.559 0.3 . 1 . . . . 229 ARG NE . 15824 1 906 . 1 1 112 112 SER HA H 1 4.554 0.020 . 1 . . . . 230 SER HA . 15824 1 907 . 1 1 112 112 SER CA C 13 58.304 0.3 . 1 . . . . 230 SER CA . 15824 1 908 . 1 1 112 112 SER CB C 13 64.000 0.3 . 1 . . . . 230 SER CB . 15824 1 909 . 1 1 112 112 SER N N 15 117.530 0.3 . 1 . . . . 230 SER N . 15824 1 910 . 1 1 113 113 SER HA H 1 4.336 0.020 . 1 . . . . 231 SER HA . 15824 1 911 . 1 1 113 113 SER CA C 13 59.765 0.3 . 1 . . . . 231 SER CA . 15824 1 912 . 1 1 113 113 SER CB C 13 64.667 0.3 . 1 . . . . 231 SER CB . 15824 1 913 . 1 1 113 113 SER N N 15 122.724 0.3 . 1 . . . . 231 SER N . 15824 1 stop_ save_