data_17087 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17087 _Entry.Title ; Mouse prion protein (121-231) with the mutations Y169A, Y225A, and Y226A. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-28 _Entry.Accession_date 2010-07-28 _Entry.Last_release_date 2012-08-02 _Entry.Original_release_date 2012-08-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 . . . 17087 2 Fred Damberger . F. . 17087 3 Daniel Perez . R. . 17087 4 Simone Hornemann . . . 17087 5 Kurt Wuthrich . . . 17087 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17087 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID mouse . 17087 mutation . 17087 NMR . 17087 prion . 17087 temperature . 17087 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17087 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 363 17087 '15N chemical shifts' 135 17087 '1H chemical shifts' 784 17087 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-08-02 2010-07-28 original author . 17087 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17081 'Prion Protein with Mutation Y169G' 17087 BMRB 17082 'Prion Protein with Mutation F175A' 17087 BMRB 17084 'Prion Protein' 17087 PDB 2L1K 'BMRB Entry Tracking System' 17087 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 17087 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Temperature-dependent conformational exchange in the cellular form of prion proteins' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Barbara Christen . . . 17087 1 2 Fred Damberger . F. . 17087 1 3 Daniel Perez . R. . 17087 1 4 Simone Hornemann . . . 17087 1 5 Kurt Wuthrich . . . 17087 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17087 _Assembly.ID 1 _Assembly.Name 'Prion with Y169A, Y225A, Y226A mutation' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _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 1 $prion A . yes native no no . . . 17087 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 disulfide single . 1 . 1 CYS 61 61 SG . 1 . 1 CYS 96 96 SG 1 . 179 CYS SG 1 . 214 CYS SG 17087 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 1 1 CYS 61 61 HG . 179 CYS HG 17087 1 . . 1 1 CYS 96 96 HG . 213 CYS HG 17087 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_prion _Entity.Sf_category entity _Entity.Sf_framecode prion _Entity.Entry_ID 17087 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Prion with Y169A, Y225A, Y226A mutation' _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 IHFGNDWEDRYYRENMYRYP NQVYYRPVDQASNQNNFVHD CVNITIKQHTVTTTTKGENF TETDVKMMERVVEQMCVTQY QKESQAAADGRRSS ; _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 114 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation 'Y169A, Y225A, Y226A' _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 2015-11-25 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 16075 . mPrP90_M129V . . . . . 87.72 141 97.00 97.00 1.39e-64 . . . . 17087 1 2 no BMRB 16184 . mpp_121-231 . . . . . 100.00 114 99.12 99.12 2.30e-78 . . . . 17087 1 3 no BMRB 17081 . "Prion with Y169G mutation" . . . . . 100.00 114 97.37 97.37 1.49e-76 . . . . 17087 1 4 no BMRB 17084 . prion . . . . . 100.00 114 97.37 97.37 3.07e-76 . . . . 17087 1 5 no BMRB 17174 . Mouse_prion . . . . . 100.00 114 97.37 97.37 3.07e-76 . . . . 17087 1 6 no BMRB 17213 . entity . . . . . 100.00 114 98.25 98.25 2.97e-77 . . . . 17087 1 7 no BMRB 17758 . mPrP(121-232) . . . . . 100.00 114 97.37 97.37 3.07e-76 . . . . 17087 1 8 no PDB 1AG2 . "Prion Protein Domain Prp(121-231) From Mouse, Nmr, 2 Minimized Average Structure" . . . . . 88.60 103 99.01 99.01 1.58e-68 . . . . 17087 1 9 no PDB 1XYX . "Mouse Prion Protein Fragment 121-231" . . . . . 98.25 112 97.32 97.32 1.01e-74 . . . . 17087 1 10 no PDB 2KFM . "Mouse Prion Protein (121-231) With Mutations Y225a And Y226a" . . . . . 100.00 114 99.12 99.12 2.30e-78 . . . . 17087 1 11 no PDB 2L1D . "Mouse Prion Protein (121-231) Containing The Substitution Y169g" . . . . . 100.00 114 97.37 97.37 1.49e-76 . . . . 17087 1 12 no PDB 2L1H . "Mouse Prion Protein Fragment 121-231 At 20 C" . . . . . 100.00 114 97.37 97.37 3.07e-76 . . . . 17087 1 13 no PDB 2L1K . "Mouse Prion Protein (121-231) Containing The Substitutions Y169a, Y225a, And Y226a" . . . . . 100.00 114 100.00 100.00 1.52e-79 . . . . 17087 1 14 no PDB 2L39 . "Mouse Prion Protein Fragment 121-231 At 37 C" . . . . . 100.00 114 97.37 97.37 3.07e-76 . . . . 17087 1 15 no PDB 2L40 . "Mouse Prion Protein (121-231) Containing The Substitution Y169a" . . . . . 100.00 114 98.25 98.25 2.97e-77 . . . . 17087 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 . 17087 1 2 120 SER . 17087 1 3 121 VAL . 17087 1 4 122 VAL . 17087 1 5 123 GLY . 17087 1 6 124 GLY . 17087 1 7 125 LEU . 17087 1 8 126 GLY . 17087 1 9 127 GLY . 17087 1 10 128 TYR . 17087 1 11 129 MET . 17087 1 12 130 LEU . 17087 1 13 131 GLY . 17087 1 14 132 SER . 17087 1 15 133 ALA . 17087 1 16 134 MET . 17087 1 17 135 SER . 17087 1 18 136 ARG . 17087 1 19 137 PRO . 17087 1 20 138 MET . 17087 1 21 139 ILE . 17087 1 22 140 HIS . 17087 1 23 141 PHE . 17087 1 24 142 GLY . 17087 1 25 143 ASN . 17087 1 26 144 ASP . 17087 1 27 145 TRP . 17087 1 28 146 GLU . 17087 1 29 147 ASP . 17087 1 30 148 ARG . 17087 1 31 149 TYR . 17087 1 32 150 TYR . 17087 1 33 151 ARG . 17087 1 34 152 GLU . 17087 1 35 153 ASN . 17087 1 36 154 MET . 17087 1 37 155 TYR . 17087 1 38 156 ARG . 17087 1 39 157 TYR . 17087 1 40 158 PRO . 17087 1 41 159 ASN . 17087 1 42 160 GLN . 17087 1 43 161 VAL . 17087 1 44 162 TYR . 17087 1 45 163 TYR . 17087 1 46 164 ARG . 17087 1 47 165 PRO . 17087 1 48 166 VAL . 17087 1 49 167 ASP . 17087 1 50 168 GLN . 17087 1 51 169 ALA . 17087 1 52 170 SER . 17087 1 53 171 ASN . 17087 1 54 172 GLN . 17087 1 55 173 ASN . 17087 1 56 174 ASN . 17087 1 57 175 PHE . 17087 1 58 176 VAL . 17087 1 59 177 HIS . 17087 1 60 178 ASP . 17087 1 61 179 CYS . 17087 1 62 180 VAL . 17087 1 63 181 ASN . 17087 1 64 182 ILE . 17087 1 65 183 THR . 17087 1 66 184 ILE . 17087 1 67 185 LYS . 17087 1 68 186 GLN . 17087 1 69 187 HIS . 17087 1 70 188 THR . 17087 1 71 189 VAL . 17087 1 72 190 THR . 17087 1 73 191 THR . 17087 1 74 192 THR . 17087 1 75 193 THR . 17087 1 76 194 LYS . 17087 1 77 195 GLY . 17087 1 78 196 GLU . 17087 1 79 197 ASN . 17087 1 80 198 PHE . 17087 1 81 199 THR . 17087 1 82 200 GLU . 17087 1 83 201 THR . 17087 1 84 202 ASP . 17087 1 85 203 VAL . 17087 1 86 204 LYS . 17087 1 87 205 MET . 17087 1 88 206 MET . 17087 1 89 207 GLU . 17087 1 90 208 ARG . 17087 1 91 209 VAL . 17087 1 92 210 VAL . 17087 1 93 211 GLU . 17087 1 94 212 GLN . 17087 1 95 213 MET . 17087 1 96 214 CYS . 17087 1 97 215 VAL . 17087 1 98 216 THR . 17087 1 99 217 GLN . 17087 1 100 218 TYR . 17087 1 101 219 GLN . 17087 1 102 220 LYS . 17087 1 103 221 GLU . 17087 1 104 222 SER . 17087 1 105 223 GLN . 17087 1 106 224 ALA . 17087 1 107 225 ALA . 17087 1 108 226 ALA . 17087 1 109 227 ASP . 17087 1 110 228 GLY . 17087 1 111 229 ARG . 17087 1 112 230 ARG . 17087 1 113 231 SER . 17087 1 114 232 SER . 17087 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 17087 1 . SER 2 2 17087 1 . VAL 3 3 17087 1 . VAL 4 4 17087 1 . GLY 5 5 17087 1 . GLY 6 6 17087 1 . LEU 7 7 17087 1 . GLY 8 8 17087 1 . GLY 9 9 17087 1 . TYR 10 10 17087 1 . MET 11 11 17087 1 . LEU 12 12 17087 1 . GLY 13 13 17087 1 . SER 14 14 17087 1 . ALA 15 15 17087 1 . MET 16 16 17087 1 . SER 17 17 17087 1 . ARG 18 18 17087 1 . PRO 19 19 17087 1 . MET 20 20 17087 1 . ILE 21 21 17087 1 . HIS 22 22 17087 1 . PHE 23 23 17087 1 . GLY 24 24 17087 1 . ASN 25 25 17087 1 . ASP 26 26 17087 1 . TRP 27 27 17087 1 . GLU 28 28 17087 1 . ASP 29 29 17087 1 . ARG 30 30 17087 1 . TYR 31 31 17087 1 . TYR 32 32 17087 1 . ARG 33 33 17087 1 . GLU 34 34 17087 1 . ASN 35 35 17087 1 . MET 36 36 17087 1 . TYR 37 37 17087 1 . ARG 38 38 17087 1 . TYR 39 39 17087 1 . PRO 40 40 17087 1 . ASN 41 41 17087 1 . GLN 42 42 17087 1 . VAL 43 43 17087 1 . TYR 44 44 17087 1 . TYR 45 45 17087 1 . ARG 46 46 17087 1 . PRO 47 47 17087 1 . VAL 48 48 17087 1 . ASP 49 49 17087 1 . GLN 50 50 17087 1 . ALA 51 51 17087 1 . SER 52 52 17087 1 . ASN 53 53 17087 1 . GLN 54 54 17087 1 . ASN 55 55 17087 1 . ASN 56 56 17087 1 . PHE 57 57 17087 1 . VAL 58 58 17087 1 . HIS 59 59 17087 1 . ASP 60 60 17087 1 . CYS 61 61 17087 1 . VAL 62 62 17087 1 . ASN 63 63 17087 1 . ILE 64 64 17087 1 . THR 65 65 17087 1 . ILE 66 66 17087 1 . LYS 67 67 17087 1 . GLN 68 68 17087 1 . HIS 69 69 17087 1 . THR 70 70 17087 1 . VAL 71 71 17087 1 . THR 72 72 17087 1 . THR 73 73 17087 1 . THR 74 74 17087 1 . THR 75 75 17087 1 . LYS 76 76 17087 1 . GLY 77 77 17087 1 . GLU 78 78 17087 1 . ASN 79 79 17087 1 . PHE 80 80 17087 1 . THR 81 81 17087 1 . GLU 82 82 17087 1 . THR 83 83 17087 1 . ASP 84 84 17087 1 . VAL 85 85 17087 1 . LYS 86 86 17087 1 . MET 87 87 17087 1 . MET 88 88 17087 1 . GLU 89 89 17087 1 . ARG 90 90 17087 1 . VAL 91 91 17087 1 . VAL 92 92 17087 1 . GLU 93 93 17087 1 . GLN 94 94 17087 1 . MET 95 95 17087 1 . CYS 96 96 17087 1 . VAL 97 97 17087 1 . THR 98 98 17087 1 . GLN 99 99 17087 1 . TYR 100 100 17087 1 . GLN 101 101 17087 1 . LYS 102 102 17087 1 . GLU 103 103 17087 1 . SER 104 104 17087 1 . GLN 105 105 17087 1 . ALA 106 106 17087 1 . ALA 107 107 17087 1 . ALA 108 108 17087 1 . ASP 109 109 17087 1 . GLY 110 110 17087 1 . ARG 111 111 17087 1 . ARG 112 112 17087 1 . SER 113 113 17087 1 . SER 114 114 17087 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 17087 _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 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 17087 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 17087 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pRSETA . . . . . . 17087 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17087 _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 '[U-99% 13C; U-99% 15N]' . . 1 $prion . . 1.4 . . mM . . . . 17087 1 2 'sodium acetate' [U-2H] . . . . . . 10 . . mM . . . . 17087 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 17087 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17087 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17087 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17087 _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 17087 1 pH 4.5 . pH 17087 1 pressure 1 . atm 17087 1 temperature 293.2 . K 17087 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 17087 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17087 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17087 1 processing 17087 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17087 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . www.nmr.ch 17087 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17087 2 'data analysis' 17087 2 stop_ save_ save_ATNOS-CANDID _Software.Sf_category software _Software.Sf_framecode ATNOS-CANDID _Software.Entry_ID 17087 _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' . . 17087 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17087 3 'peak picking' 17087 3 stop_ save_ save_DYANA _Software.Sf_category software _Software.Sf_framecode DYANA _Software.Entry_ID 17087 _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, Mumenthaler and Wuthrich' . . 17087 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17087 4 stop_ save_ save_OPALP _Software.Sf_category software _Software.Sf_framecode OPALP _Software.Entry_ID 17087 _Software.ID 5 _Software.Name OPALP _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 17087 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17087 5 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 17087 _Software.ID 6 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 17087 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17087 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 17087 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17087 _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_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17087 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 17087 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17087 _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 . 500 . . . 17087 1 2 spectrometer_2 Bruker Avance . 900 . . . 17087 1 3 spectrometer_3 Bruker DRX . 750 . . . 17087 1 4 spectrometer_4 Bruker DRX . 600 . . . 17087 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 17087 _Experiment_list.ID 1 _Experiment_list.Details 'Two 13C-resolved NOESY experiments were measured with the 13C carrier centered on the aliphatic and the aromatic regions respectively.' 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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17087 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 17087 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 17087 _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 external indirect 0.251449530 'insert at center of experimental sample tube' cylindrical parallel 1 $citations . . 1 $citations 17087 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1.0000 'insert at center of experimental sample tube' cylindrical parallel 1 $citations . . 1 $citations 17087 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 'insert at center of experimental sample tube' cylindrical parallel 1 $citations . . 1 $citations 17087 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17087 _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 'aliphatic and aromatic 13C signals were assigned using the 13C-resolved NOESYs with the 13C carrier centered at the aliphatic and aromatic region respectively.' _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' . . . 17087 1 2 '3D 1H-13C NOESY' . . . 17087 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 HA2 H 1 3.905 0.020 . 1 . . . . 119 GLY HA2 . 17087 1 2 . 1 1 1 1 GLY HA3 H 1 3.905 0.020 . 1 . . . . 119 GLY HA3 . 17087 1 3 . 1 1 1 1 GLY CA C 13 43.242 0.3 . 1 . . . . 119 GLY CA . 17087 1 4 . 1 1 2 2 SER H H 1 8.687 0.020 . 1 . . . . 120 SER H . 17087 1 5 . 1 1 2 2 SER HA H 1 4.597 0.020 . 1 . . . . 120 SER HA . 17087 1 6 . 1 1 2 2 SER HB2 H 1 3.836 0.020 . 1 . . . . 120 SER HB2 . 17087 1 7 . 1 1 2 2 SER HB3 H 1 3.836 0.020 . 1 . . . . 120 SER HB3 . 17087 1 8 . 1 1 2 2 SER CA C 13 57.937 0.3 . 1 . . . . 120 SER CA . 17087 1 9 . 1 1 2 2 SER CB C 13 64.040 0.3 . 1 . . . . 120 SER CB . 17087 1 10 . 1 1 2 2 SER N N 15 115.735 0.3 . 1 . . . . 120 SER N . 17087 1 11 . 1 1 3 3 VAL H H 1 8.422 0.020 . 1 . . . . 121 VAL H . 17087 1 12 . 1 1 3 3 VAL HA H 1 4.183 0.020 . 1 . . . . 121 VAL HA . 17087 1 13 . 1 1 3 3 VAL HB H 1 2.050 0.020 . 1 . . . . 121 VAL HB . 17087 1 14 . 1 1 3 3 VAL HG11 H 1 0.913 0.020 . 2 . . . . 121 VAL HG1 . 17087 1 15 . 1 1 3 3 VAL HG12 H 1 0.913 0.020 . 2 . . . . 121 VAL HG1 . 17087 1 16 . 1 1 3 3 VAL HG13 H 1 0.913 0.020 . 2 . . . . 121 VAL HG1 . 17087 1 17 . 1 1 3 3 VAL HG21 H 1 0.883 0.020 . 2 . . . . 121 VAL HG2 . 17087 1 18 . 1 1 3 3 VAL HG22 H 1 0.883 0.020 . 2 . . . . 121 VAL HG2 . 17087 1 19 . 1 1 3 3 VAL HG23 H 1 0.883 0.020 . 2 . . . . 121 VAL HG2 . 17087 1 20 . 1 1 3 3 VAL CA C 13 62.284 0.3 . 1 . . . . 121 VAL CA . 17087 1 21 . 1 1 3 3 VAL CB C 13 32.690 0.3 . 1 . . . . 121 VAL CB . 17087 1 22 . 1 1 3 3 VAL CG1 C 13 20.475 0.3 . 1 . . . . 121 VAL CG1 . 17087 1 23 . 1 1 3 3 VAL CG2 C 13 21.087 0.3 . 1 . . . . 121 VAL CG2 . 17087 1 24 . 1 1 3 3 VAL N N 15 122.308 0.3 . 1 . . . . 121 VAL N . 17087 1 25 . 1 1 4 4 VAL H H 1 8.364 0.020 . 1 . . . . 122 VAL H . 17087 1 26 . 1 1 4 4 VAL HA H 1 4.091 0.020 . 1 . . . . 122 VAL HA . 17087 1 27 . 1 1 4 4 VAL HB H 1 2.024 0.020 . 1 . . . . 122 VAL HB . 17087 1 28 . 1 1 4 4 VAL HG11 H 1 0.930 0.020 . 2 . . . . 122 VAL HG1 . 17087 1 29 . 1 1 4 4 VAL HG12 H 1 0.930 0.020 . 2 . . . . 122 VAL HG1 . 17087 1 30 . 1 1 4 4 VAL HG13 H 1 0.930 0.020 . 2 . . . . 122 VAL HG1 . 17087 1 31 . 1 1 4 4 VAL HG21 H 1 0.914 0.020 . 2 . . . . 122 VAL HG2 . 17087 1 32 . 1 1 4 4 VAL HG22 H 1 0.914 0.020 . 2 . . . . 122 VAL HG2 . 17087 1 33 . 1 1 4 4 VAL HG23 H 1 0.914 0.020 . 2 . . . . 122 VAL HG2 . 17087 1 34 . 1 1 4 4 VAL CA C 13 62.442 0.3 . 1 . . . . 122 VAL CA . 17087 1 35 . 1 1 4 4 VAL CB C 13 32.552 0.3 . 1 . . . . 122 VAL CB . 17087 1 36 . 1 1 4 4 VAL CG1 C 13 20.757 0.3 . 1 . . . . 122 VAL CG1 . 17087 1 37 . 1 1 4 4 VAL CG2 C 13 21.087 0.3 . 1 . . . . 122 VAL CG2 . 17087 1 38 . 1 1 4 4 VAL N N 15 125.182 0.3 . 1 . . . . 122 VAL N . 17087 1 39 . 1 1 5 5 GLY H H 1 8.626 0.020 . 1 . . . . 123 GLY H . 17087 1 40 . 1 1 5 5 GLY HA2 H 1 3.950 0.020 . 1 . . . . 123 GLY HA2 . 17087 1 41 . 1 1 5 5 GLY HA3 H 1 3.950 0.020 . 1 . . . . 123 GLY HA3 . 17087 1 42 . 1 1 5 5 GLY CA C 13 45.271 0.3 . 1 . . . . 123 GLY CA . 17087 1 43 . 1 1 5 5 GLY N N 15 113.618 0.3 . 1 . . . . 123 GLY N . 17087 1 44 . 1 1 6 6 GLY H H 1 8.343 0.020 . 1 . . . . 124 GLY H . 17087 1 45 . 1 1 6 6 GLY HA2 H 1 3.956 0.020 . 1 . . . . 124 GLY HA2 . 17087 1 46 . 1 1 6 6 GLY HA3 H 1 3.956 0.020 . 1 . . . . 124 GLY HA3 . 17087 1 47 . 1 1 6 6 GLY CA C 13 45.289 0.3 . 1 . . . . 124 GLY CA . 17087 1 48 . 1 1 6 6 GLY N N 15 108.735 0.3 . 1 . . . . 124 GLY N . 17087 1 49 . 1 1 7 7 LEU H H 1 8.277 0.020 . 1 . . . . 125 LEU H . 17087 1 50 . 1 1 7 7 LEU HA H 1 4.376 0.020 . 1 . . . . 125 LEU HA . 17087 1 51 . 1 1 7 7 LEU HB2 H 1 1.512 0.020 . 2 . . . . 125 LEU HB2 . 17087 1 52 . 1 1 7 7 LEU HB3 H 1 1.613 0.020 . 2 . . . . 125 LEU HB3 . 17087 1 53 . 1 1 7 7 LEU HD11 H 1 0.662 0.020 . 2 . . . . 125 LEU HD1 . 17087 1 54 . 1 1 7 7 LEU HD12 H 1 0.662 0.020 . 2 . . . . 125 LEU HD1 . 17087 1 55 . 1 1 7 7 LEU HD13 H 1 0.662 0.020 . 2 . . . . 125 LEU HD1 . 17087 1 56 . 1 1 7 7 LEU HD21 H 1 0.532 0.020 . 2 . . . . 125 LEU HD2 . 17087 1 57 . 1 1 7 7 LEU HD22 H 1 0.532 0.020 . 2 . . . . 125 LEU HD2 . 17087 1 58 . 1 1 7 7 LEU HD23 H 1 0.532 0.020 . 2 . . . . 125 LEU HD2 . 17087 1 59 . 1 1 7 7 LEU HG H 1 1.476 0.020 . 1 . . . . 125 LEU HG . 17087 1 60 . 1 1 7 7 LEU CA C 13 54.668 0.3 . 1 . . . . 125 LEU CA . 17087 1 61 . 1 1 7 7 LEU CB C 13 42.414 0.3 . 1 . . . . 125 LEU CB . 17087 1 62 . 1 1 7 7 LEU CD1 C 13 24.592 0.3 . 1 . . . . 125 LEU CD1 . 17087 1 63 . 1 1 7 7 LEU CD2 C 13 23.403 0.3 . 1 . . . . 125 LEU CD2 . 17087 1 64 . 1 1 7 7 LEU CG C 13 26.804 0.3 . 1 . . . . 125 LEU CG . 17087 1 65 . 1 1 7 7 LEU N N 15 121.829 0.3 . 1 . . . . 125 LEU N . 17087 1 66 . 1 1 8 8 GLY H H 1 8.576 0.020 . 1 . . . . 126 GLY H . 17087 1 67 . 1 1 8 8 GLY HA2 H 1 3.908 0.020 . 1 . . . . 126 GLY HA2 . 17087 1 68 . 1 1 8 8 GLY CA C 13 46.338 0.3 . 1 . . . . 126 GLY CA . 17087 1 69 . 1 1 8 8 GLY N N 15 110.086 0.3 . 1 . . . . 126 GLY N . 17087 1 70 . 1 1 9 9 GLY H H 1 8.443 0.020 . 1 . . . . 127 GLY H . 17087 1 71 . 1 1 9 9 GLY HA2 H 1 3.904 0.020 . 1 . . . . 127 GLY HA2 . 17087 1 72 . 1 1 9 9 GLY CA C 13 45.031 0.3 . 1 . . . . 127 GLY CA . 17087 1 73 . 1 1 9 9 GLY N N 15 109.571 0.3 . 1 . . . . 127 GLY N . 17087 1 74 . 1 1 10 10 TYR H H 1 7.733 0.020 . 1 . . . . 128 TYR H . 17087 1 75 . 1 1 10 10 TYR HA H 1 4.525 0.020 . 1 . . . . 128 TYR HA . 17087 1 76 . 1 1 10 10 TYR HB2 H 1 2.876 0.020 . 2 . . . . 128 TYR HB2 . 17087 1 77 . 1 1 10 10 TYR HB3 H 1 2.780 0.020 . 2 . . . . 128 TYR HB3 . 17087 1 78 . 1 1 10 10 TYR HD1 H 1 6.776 0.020 . 1 . . . . 128 TYR HD1 . 17087 1 79 . 1 1 10 10 TYR HD2 H 1 6.776 0.020 . 1 . . . . 128 TYR HD2 . 17087 1 80 . 1 1 10 10 TYR HE1 H 1 6.659 0.020 . 1 . . . . 128 TYR HE1 . 17087 1 81 . 1 1 10 10 TYR HE2 H 1 6.659 0.020 . 1 . . . . 128 TYR HE2 . 17087 1 82 . 1 1 10 10 TYR CA C 13 57.902 0.3 . 1 . . . . 128 TYR CA . 17087 1 83 . 1 1 10 10 TYR CB C 13 40.197 0.3 . 1 . . . . 128 TYR CB . 17087 1 84 . 1 1 10 10 TYR CD1 C 13 132.680 0.3 . 1 . . . . 128 TYR CD1 . 17087 1 85 . 1 1 10 10 TYR CE1 C 13 118.346 0.3 . 1 . . . . 128 TYR CE1 . 17087 1 86 . 1 1 10 10 TYR N N 15 117.550 0.3 . 1 . . . . 128 TYR N . 17087 1 87 . 1 1 11 11 MET H H 1 9.033 0.020 . 1 . . . . 129 MET H . 17087 1 88 . 1 1 11 11 MET HA H 1 4.556 0.020 . 1 . . . . 129 MET HA . 17087 1 89 . 1 1 11 11 MET HB2 H 1 0.929 0.020 . 2 . . . . 129 MET HB2 . 17087 1 90 . 1 1 11 11 MET HB3 H 1 1.576 0.020 . 2 . . . . 129 MET HB3 . 17087 1 91 . 1 1 11 11 MET HE1 H 1 2.012 0.020 . 1 . . . . 129 MET HE . 17087 1 92 . 1 1 11 11 MET HE2 H 1 2.012 0.020 . 1 . . . . 129 MET HE . 17087 1 93 . 1 1 11 11 MET HE3 H 1 2.012 0.020 . 1 . . . . 129 MET HE . 17087 1 94 . 1 1 11 11 MET HG2 H 1 2.214 0.020 . 1 . . . . 129 MET HG2 . 17087 1 95 . 1 1 11 11 MET HG3 H 1 2.214 0.020 . 1 . . . . 129 MET HG3 . 17087 1 96 . 1 1 11 11 MET CA C 13 53.437 0.3 . 1 . . . . 129 MET CA . 17087 1 97 . 1 1 11 11 MET CB C 13 34.660 0.3 . 1 . . . . 129 MET CB . 17087 1 98 . 1 1 11 11 MET CE C 13 17.122 0.3 . 1 . . . . 129 MET CE . 17087 1 99 . 1 1 11 11 MET CG C 13 32.029 0.3 . 1 . . . . 129 MET CG . 17087 1 100 . 1 1 11 11 MET N N 15 120.708 0.3 . 1 . . . . 129 MET N . 17087 1 101 . 1 1 12 12 LEU H H 1 8.141 0.020 . 1 . . . . 130 LEU H . 17087 1 102 . 1 1 12 12 LEU HA H 1 4.460 0.020 . 1 . . . . 130 LEU HA . 17087 1 103 . 1 1 12 12 LEU HB2 H 1 0.956 0.020 . 2 . . . . 130 LEU HB2 . 17087 1 104 . 1 1 12 12 LEU HB3 H 1 1.609 0.020 . 2 . . . . 130 LEU HB3 . 17087 1 105 . 1 1 12 12 LEU HD11 H 1 -0.052 0.020 . 2 . . . . 130 LEU HD1 . 17087 1 106 . 1 1 12 12 LEU HD12 H 1 -0.052 0.020 . 2 . . . . 130 LEU HD1 . 17087 1 107 . 1 1 12 12 LEU HD13 H 1 -0.052 0.020 . 2 . . . . 130 LEU HD1 . 17087 1 108 . 1 1 12 12 LEU HD21 H 1 0.616 0.020 . 2 . . . . 130 LEU HD2 . 17087 1 109 . 1 1 12 12 LEU HD22 H 1 0.616 0.020 . 2 . . . . 130 LEU HD2 . 17087 1 110 . 1 1 12 12 LEU HD23 H 1 0.616 0.020 . 2 . . . . 130 LEU HD2 . 17087 1 111 . 1 1 12 12 LEU HG H 1 1.377 0.020 . 1 . . . . 130 LEU HG . 17087 1 112 . 1 1 12 12 LEU CA C 13 53.301 0.3 . 1 . . . . 130 LEU CA . 17087 1 113 . 1 1 12 12 LEU CB C 13 43.353 0.3 . 1 . . . . 130 LEU CB . 17087 1 114 . 1 1 12 12 LEU CD1 C 13 21.404 0.3 . 1 . . . . 130 LEU CD1 . 17087 1 115 . 1 1 12 12 LEU CD2 C 13 25.731 0.3 . 1 . . . . 130 LEU CD2 . 17087 1 116 . 1 1 12 12 LEU CG C 13 25.897 0.3 . 1 . . . . 130 LEU CG . 17087 1 117 . 1 1 12 12 LEU N N 15 121.411 0.3 . 1 . . . . 130 LEU N . 17087 1 118 . 1 1 13 13 GLY H H 1 9.385 0.020 . 1 . . . . 131 GLY H . 17087 1 119 . 1 1 13 13 GLY HA2 H 1 4.417 0.020 . 1 . . . . 131 GLY HA2 . 17087 1 120 . 1 1 13 13 GLY CA C 13 44.815 0.3 . 1 . . . . 131 GLY CA . 17087 1 121 . 1 1 13 13 GLY N N 15 115.214 0.3 . 1 . . . . 131 GLY N . 17087 1 122 . 1 1 14 14 SER H H 1 8.343 0.020 . 1 . . . . 132 SER H . 17087 1 123 . 1 1 14 14 SER HA H 1 4.396 0.020 . 1 . . . . 132 SER HA . 17087 1 124 . 1 1 14 14 SER HB2 H 1 3.898 0.020 . 2 . . . . 132 SER HB2 . 17087 1 125 . 1 1 14 14 SER HB3 H 1 3.973 0.020 . 2 . . . . 132 SER HB3 . 17087 1 126 . 1 1 14 14 SER CA C 13 58.419 0.3 . 1 . . . . 132 SER CA . 17087 1 127 . 1 1 14 14 SER CB C 13 63.920 0.3 . 1 . . . . 132 SER CB . 17087 1 128 . 1 1 14 14 SER N N 15 113.684 0.3 . 1 . . . . 132 SER N . 17087 1 129 . 1 1 15 15 ALA H H 1 8.780 0.020 . 1 . . . . 133 ALA H . 17087 1 130 . 1 1 15 15 ALA HA H 1 4.414 0.020 . 1 . . . . 133 ALA HA . 17087 1 131 . 1 1 15 15 ALA HB1 H 1 1.260 0.020 . 1 . . . . 133 ALA HB . 17087 1 132 . 1 1 15 15 ALA HB2 H 1 1.260 0.020 . 1 . . . . 133 ALA HB . 17087 1 133 . 1 1 15 15 ALA HB3 H 1 1.260 0.020 . 1 . . . . 133 ALA HB . 17087 1 134 . 1 1 15 15 ALA CA C 13 52.860 0.3 . 1 . . . . 133 ALA CA . 17087 1 135 . 1 1 15 15 ALA CB C 13 18.304 0.3 . 1 . . . . 133 ALA CB . 17087 1 136 . 1 1 15 15 ALA N N 15 125.538 0.3 . 1 . . . . 133 ALA N . 17087 1 137 . 1 1 16 16 MET H H 1 8.842 0.020 . 1 . . . . 134 MET H . 17087 1 138 . 1 1 16 16 MET HA H 1 4.739 0.020 . 1 . . . . 134 MET HA . 17087 1 139 . 1 1 16 16 MET HB2 H 1 2.043 0.020 . 2 . . . . 134 MET HB2 . 17087 1 140 . 1 1 16 16 MET HB3 H 1 1.981 0.020 . 2 . . . . 134 MET HB3 . 17087 1 141 . 1 1 16 16 MET HE1 H 1 2.193 0.020 . 1 . . . . 134 MET HE . 17087 1 142 . 1 1 16 16 MET HE2 H 1 2.193 0.020 . 1 . . . . 134 MET HE . 17087 1 143 . 1 1 16 16 MET HE3 H 1 2.193 0.020 . 1 . . . . 134 MET HE . 17087 1 144 . 1 1 16 16 MET HG2 H 1 2.529 0.020 . 2 . . . . 134 MET HG2 . 17087 1 145 . 1 1 16 16 MET HG3 H 1 2.443 0.020 . 2 . . . . 134 MET HG3 . 17087 1 146 . 1 1 16 16 MET CA C 13 53.832 0.3 . 1 . . . . 134 MET CA . 17087 1 147 . 1 1 16 16 MET CB C 13 36.736 0.3 . 1 . . . . 134 MET CB . 17087 1 148 . 1 1 16 16 MET CE C 13 17.836 0.3 . 1 . . . . 134 MET CE . 17087 1 149 . 1 1 16 16 MET CG C 13 31.426 0.3 . 1 . . . . 134 MET CG . 17087 1 150 . 1 1 16 16 MET N N 15 121.555 0.3 . 1 . . . . 134 MET N . 17087 1 151 . 1 1 17 17 SER H H 1 8.464 0.020 . 1 . . . . 135 SER H . 17087 1 152 . 1 1 17 17 SER HA H 1 4.328 0.020 . 1 . . . . 135 SER HA . 17087 1 153 . 1 1 17 17 SER HB2 H 1 3.830 0.020 . 2 . . . . 135 SER HB2 . 17087 1 154 . 1 1 17 17 SER HB3 H 1 3.743 0.020 . 2 . . . . 135 SER HB3 . 17087 1 155 . 1 1 17 17 SER CA C 13 58.639 0.3 . 1 . . . . 135 SER CA . 17087 1 156 . 1 1 17 17 SER CB C 13 62.994 0.3 . 1 . . . . 135 SER CB . 17087 1 157 . 1 1 17 17 SER N N 15 116.067 0.3 . 1 . . . . 135 SER N . 17087 1 158 . 1 1 18 18 ARG H H 1 8.708 0.020 . 1 . . . . 136 ARG H . 17087 1 159 . 1 1 18 18 ARG HA H 1 4.374 0.020 . 1 . . . . 136 ARG HA . 17087 1 160 . 1 1 18 18 ARG HB2 H 1 1.844 0.020 . 2 . . . . 136 ARG HB2 . 17087 1 161 . 1 1 18 18 ARG HB3 H 1 1.790 0.020 . 2 . . . . 136 ARG HB3 . 17087 1 162 . 1 1 18 18 ARG HD2 H 1 3.060 0.020 . 2 . . . . 136 ARG HD2 . 17087 1 163 . 1 1 18 18 ARG HD3 H 1 2.943 0.020 . 2 . . . . 136 ARG HD3 . 17087 1 164 . 1 1 18 18 ARG HE H 1 6.886 0.020 . 1 . . . . 136 ARG HE . 17087 1 165 . 1 1 18 18 ARG HG2 H 1 1.607 0.020 . 1 . . . . 136 ARG HG2 . 17087 1 166 . 1 1 18 18 ARG HG3 H 1 1.607 0.020 . 1 . . . . 136 ARG HG3 . 17087 1 167 . 1 1 18 18 ARG CA C 13 54.781 0.3 . 1 . . . . 136 ARG CA . 17087 1 168 . 1 1 18 18 ARG CB C 13 28.718 0.3 . 1 . . . . 136 ARG CB . 17087 1 169 . 1 1 18 18 ARG CD C 13 43.793 0.3 . 1 . . . . 136 ARG CD . 17087 1 170 . 1 1 18 18 ARG CG C 13 29.385 0.3 . 1 . . . . 136 ARG CG . 17087 1 171 . 1 1 18 18 ARG N N 15 126.515 0.3 . 1 . . . . 136 ARG N . 17087 1 172 . 1 1 18 18 ARG NE N 15 85.661 0.3 . 1 . . . . 136 ARG NE . 17087 1 173 . 1 1 19 19 PRO HA H 1 4.416 0.020 . 1 . . . . 137 PRO HA . 17087 1 174 . 1 1 19 19 PRO HB2 H 1 1.768 0.020 . 2 . . . . 137 PRO HB2 . 17087 1 175 . 1 1 19 19 PRO HB3 H 1 2.233 0.020 . 2 . . . . 137 PRO HB3 . 17087 1 176 . 1 1 19 19 PRO HD2 H 1 3.653 0.020 . 2 . . . . 137 PRO HD2 . 17087 1 177 . 1 1 19 19 PRO HD3 H 1 3.914 0.020 . 2 . . . . 137 PRO HD3 . 17087 1 178 . 1 1 19 19 PRO HG2 H 1 2.033 0.020 . 2 . . . . 137 PRO HG2 . 17087 1 179 . 1 1 19 19 PRO HG3 H 1 2.013 0.020 . 2 . . . . 137 PRO HG3 . 17087 1 180 . 1 1 19 19 PRO CA C 13 62.201 0.3 . 1 . . . . 137 PRO CA . 17087 1 181 . 1 1 19 19 PRO CB C 13 32.213 0.3 . 1 . . . . 137 PRO CB . 17087 1 182 . 1 1 19 19 PRO CD C 13 50.537 0.3 . 1 . . . . 137 PRO CD . 17087 1 183 . 1 1 19 19 PRO CG C 13 27.212 0.3 . 1 . . . . 137 PRO CG . 17087 1 184 . 1 1 20 20 MET H H 1 8.780 0.020 . 1 . . . . 138 MET H . 17087 1 185 . 1 1 20 20 MET HA H 1 4.876 0.020 . 1 . . . . 138 MET HA . 17087 1 186 . 1 1 20 20 MET HB2 H 1 2.020 0.020 . 2 . . . . 138 MET HB2 . 17087 1 187 . 1 1 20 20 MET HB3 H 1 1.988 0.020 . 2 . . . . 138 MET HB3 . 17087 1 188 . 1 1 20 20 MET HE1 H 1 2.124 0.020 . 1 . . . . 138 MET HE . 17087 1 189 . 1 1 20 20 MET HE2 H 1 2.124 0.020 . 1 . . . . 138 MET HE . 17087 1 190 . 1 1 20 20 MET HE3 H 1 2.124 0.020 . 1 . . . . 138 MET HE . 17087 1 191 . 1 1 20 20 MET HG2 H 1 2.682 0.020 . 2 . . . . 138 MET HG2 . 17087 1 192 . 1 1 20 20 MET HG3 H 1 2.320 0.020 . 2 . . . . 138 MET HG3 . 17087 1 193 . 1 1 20 20 MET CA C 13 53.873 0.3 . 1 . . . . 138 MET CA . 17087 1 194 . 1 1 20 20 MET CB C 13 30.140 0.3 . 1 . . . . 138 MET CB . 17087 1 195 . 1 1 20 20 MET CE C 13 16.373 0.3 . 1 . . . . 138 MET CE . 17087 1 196 . 1 1 20 20 MET CG C 13 31.795 0.3 . 1 . . . . 138 MET CG . 17087 1 197 . 1 1 20 20 MET N N 15 122.141 0.3 . 1 . . . . 138 MET N . 17087 1 198 . 1 1 21 21 ILE H H 1 6.575 0.020 . 1 . . . . 139 ILE H . 17087 1 199 . 1 1 21 21 ILE HA H 1 3.817 0.020 . 1 . . . . 139 ILE HA . 17087 1 200 . 1 1 21 21 ILE HB H 1 0.772 0.020 . 1 . . . . 139 ILE HB . 17087 1 201 . 1 1 21 21 ILE HD11 H 1 0.429 0.020 . 1 . . . . 139 ILE HD1 . 17087 1 202 . 1 1 21 21 ILE HD12 H 1 0.429 0.020 . 1 . . . . 139 ILE HD1 . 17087 1 203 . 1 1 21 21 ILE HD13 H 1 0.429 0.020 . 1 . . . . 139 ILE HD1 . 17087 1 204 . 1 1 21 21 ILE HG12 H 1 0.887 0.020 . 2 . . . . 139 ILE HG12 . 17087 1 205 . 1 1 21 21 ILE HG13 H 1 0.722 0.020 . 2 . . . . 139 ILE HG13 . 17087 1 206 . 1 1 21 21 ILE HG21 H 1 -0.127 0.020 . 1 . . . . 139 ILE HG2 . 17087 1 207 . 1 1 21 21 ILE HG22 H 1 -0.127 0.020 . 1 . . . . 139 ILE HG2 . 17087 1 208 . 1 1 21 21 ILE HG23 H 1 -0.127 0.020 . 1 . . . . 139 ILE HG2 . 17087 1 209 . 1 1 21 21 ILE CA C 13 59.398 0.3 . 1 . . . . 139 ILE CA . 17087 1 210 . 1 1 21 21 ILE CB C 13 38.864 0.3 . 1 . . . . 139 ILE CB . 17087 1 211 . 1 1 21 21 ILE CD1 C 13 12.399 0.3 . 1 . . . . 139 ILE CD1 . 17087 1 212 . 1 1 21 21 ILE CG1 C 13 26.596 0.3 . 1 . . . . 139 ILE CG1 . 17087 1 213 . 1 1 21 21 ILE CG2 C 13 17.090 0.3 . 1 . . . . 139 ILE CG2 . 17087 1 214 . 1 1 21 21 ILE N N 15 124.744 0.3 . 1 . . . . 139 ILE N . 17087 1 215 . 1 1 22 22 HIS H H 1 8.244 0.020 . 1 . . . . 140 HIS H . 17087 1 216 . 1 1 22 22 HIS HA H 1 4.903 0.020 . 1 . . . . 140 HIS HA . 17087 1 217 . 1 1 22 22 HIS HB2 H 1 3.289 0.020 . 2 . . . . 140 HIS HB2 . 17087 1 218 . 1 1 22 22 HIS HB3 H 1 2.939 0.020 . 2 . . . . 140 HIS HB3 . 17087 1 219 . 1 1 22 22 HIS HD2 H 1 7.207 0.020 . 1 . . . . 140 HIS HD2 . 17087 1 220 . 1 1 22 22 HIS HE1 H 1 8.568 0.020 . 1 . . . . 140 HIS HE1 . 17087 1 221 . 1 1 22 22 HIS CA C 13 53.922 0.3 . 1 . . . . 140 HIS CA . 17087 1 222 . 1 1 22 22 HIS CB C 13 29.434 0.3 . 1 . . . . 140 HIS CB . 17087 1 223 . 1 1 22 22 HIS CD2 C 13 119.837 0.3 . 1 . . . . 140 HIS CD2 . 17087 1 224 . 1 1 22 22 HIS CE1 C 13 136.469 0.3 . 1 . . . . 140 HIS CE1 . 17087 1 225 . 1 1 22 22 HIS N N 15 121.931 0.3 . 1 . . . . 140 HIS N . 17087 1 226 . 1 1 23 23 PHE H H 1 10.470 0.020 . 1 . . . . 141 PHE H . 17087 1 227 . 1 1 23 23 PHE HA H 1 4.256 0.020 . 1 . . . . 141 PHE HA . 17087 1 228 . 1 1 23 23 PHE HB2 H 1 2.780 0.020 . 2 . . . . 141 PHE HB2 . 17087 1 229 . 1 1 23 23 PHE HB3 H 1 3.290 0.020 . 2 . . . . 141 PHE HB3 . 17087 1 230 . 1 1 23 23 PHE HD1 H 1 7.284 0.020 . 1 . . . . 141 PHE HD1 . 17087 1 231 . 1 1 23 23 PHE HD2 H 1 7.284 0.020 . 1 . . . . 141 PHE HD2 . 17087 1 232 . 1 1 23 23 PHE HE1 H 1 6.883 0.020 . 1 . . . . 141 PHE HE1 . 17087 1 233 . 1 1 23 23 PHE HE2 H 1 6.883 0.020 . 1 . . . . 141 PHE HE2 . 17087 1 234 . 1 1 23 23 PHE HZ H 1 6.735 0.020 . 1 . . . . 141 PHE HZ . 17087 1 235 . 1 1 23 23 PHE CA C 13 59.570 0.3 . 1 . . . . 141 PHE CA . 17087 1 236 . 1 1 23 23 PHE CB C 13 40.803 0.3 . 1 . . . . 141 PHE CB . 17087 1 237 . 1 1 23 23 PHE CD1 C 13 132.005 0.3 . 1 . . . . 141 PHE CD1 . 17087 1 238 . 1 1 23 23 PHE CE1 C 13 131.075 0.3 . 1 . . . . 141 PHE CE1 . 17087 1 239 . 1 1 23 23 PHE CZ C 13 129.048 0.3 . 1 . . . . 141 PHE CZ . 17087 1 240 . 1 1 23 23 PHE N N 15 124.660 0.3 . 1 . . . . 141 PHE N . 17087 1 241 . 1 1 24 24 GLY H H 1 9.051 0.020 . 1 . . . . 142 GLY H . 17087 1 242 . 1 1 24 24 GLY HA2 H 1 4.119 0.020 . 1 . . . . 142 GLY HA2 . 17087 1 243 . 1 1 24 24 GLY CA C 13 45.623 0.3 . 1 . . . . 142 GLY CA . 17087 1 244 . 1 1 24 24 GLY N N 15 109.146 0.3 . 1 . . . . 142 GLY N . 17087 1 245 . 1 1 25 25 ASN H H 1 7.219 0.020 . 1 . . . . 143 ASN H . 17087 1 246 . 1 1 25 25 ASN HA H 1 4.876 0.020 . 1 . . . . 143 ASN HA . 17087 1 247 . 1 1 25 25 ASN HB2 H 1 2.710 0.020 . 2 . . . . 143 ASN HB2 . 17087 1 248 . 1 1 25 25 ASN HB3 H 1 2.687 0.020 . 2 . . . . 143 ASN HB3 . 17087 1 249 . 1 1 25 25 ASN HD21 H 1 7.603 0.020 . 1 . . . . 143 ASN HD21 . 17087 1 250 . 1 1 25 25 ASN HD22 H 1 7.460 0.020 . 1 . . . . 143 ASN HD22 . 17087 1 251 . 1 1 25 25 ASN CA C 13 52.430 0.3 . 1 . . . . 143 ASN CA . 17087 1 252 . 1 1 25 25 ASN CB C 13 41.457 0.3 . 1 . . . . 143 ASN CB . 17087 1 253 . 1 1 25 25 ASN N N 15 114.426 0.3 . 1 . . . . 143 ASN N . 17087 1 254 . 1 1 25 25 ASN ND2 N 15 115.984 0.3 . 1 . . . . 143 ASN ND2 . 17087 1 255 . 1 1 26 26 ASP H H 1 9.062 0.020 . 1 . . . . 144 ASP H . 17087 1 256 . 1 1 26 26 ASP HA H 1 4.433 0.020 . 1 . . . . 144 ASP HA . 17087 1 257 . 1 1 26 26 ASP HB2 H 1 2.771 0.020 . 1 . . . . 144 ASP HB2 . 17087 1 258 . 1 1 26 26 ASP HB3 H 1 2.771 0.020 . 1 . . . . 144 ASP HB3 . 17087 1 259 . 1 1 26 26 ASP CA C 13 57.788 0.3 . 1 . . . . 144 ASP CA . 17087 1 260 . 1 1 26 26 ASP CB C 13 40.946 0.3 . 1 . . . . 144 ASP CB . 17087 1 261 . 1 1 26 26 ASP N N 15 123.439 0.3 . 1 . . . . 144 ASP N . 17087 1 262 . 1 1 27 27 TRP H H 1 8.561 0.020 . 1 . . . . 145 TRP H . 17087 1 263 . 1 1 27 27 TRP HA H 1 4.227 0.020 . 1 . . . . 145 TRP HA . 17087 1 264 . 1 1 27 27 TRP HB2 H 1 3.405 0.020 . 1 . . . . 145 TRP HB2 . 17087 1 265 . 1 1 27 27 TRP HB3 H 1 3.405 0.020 . 1 . . . . 145 TRP HB3 . 17087 1 266 . 1 1 27 27 TRP HD1 H 1 7.325 0.020 . 1 . . . . 145 TRP HD1 . 17087 1 267 . 1 1 27 27 TRP HE1 H 1 10.251 0.020 . 1 . . . . 145 TRP HE1 . 17087 1 268 . 1 1 27 27 TRP HE3 H 1 7.336 0.020 . 1 . . . . 145 TRP HE3 . 17087 1 269 . 1 1 27 27 TRP HH2 H 1 6.879 0.020 . 1 . . . . 145 TRP HH2 . 17087 1 270 . 1 1 27 27 TRP HZ2 H 1 7.416 0.020 . 1 . . . . 145 TRP HZ2 . 17087 1 271 . 1 1 27 27 TRP HZ3 H 1 6.701 0.020 . 1 . . . . 145 TRP HZ3 . 17087 1 272 . 1 1 27 27 TRP CA C 13 61.771 0.3 . 1 . . . . 145 TRP CA . 17087 1 273 . 1 1 27 27 TRP CB C 13 28.195 0.3 . 1 . . . . 145 TRP CB . 17087 1 274 . 1 1 27 27 TRP CD1 C 13 127.575 0.3 . 1 . . . . 145 TRP CD1 . 17087 1 275 . 1 1 27 27 TRP CE3 C 13 120.638 0.3 . 1 . . . . 145 TRP CE3 . 17087 1 276 . 1 1 27 27 TRP CH2 C 13 124.882 0.3 . 1 . . . . 145 TRP CH2 . 17087 1 277 . 1 1 27 27 TRP CZ2 C 13 114.666 0.3 . 1 . . . . 145 TRP CZ2 . 17087 1 278 . 1 1 27 27 TRP CZ3 C 13 121.183 0.3 . 1 . . . . 145 TRP CZ3 . 17087 1 279 . 1 1 27 27 TRP N N 15 120.601 0.3 . 1 . . . . 145 TRP N . 17087 1 280 . 1 1 27 27 TRP NE1 N 15 129.612 0.3 . 1 . . . . 145 TRP NE1 . 17087 1 281 . 1 1 28 28 GLU H H 1 8.227 0.020 . 1 . . . . 146 GLU H . 17087 1 282 . 1 1 28 28 GLU HA H 1 3.449 0.020 . 1 . . . . 146 GLU HA . 17087 1 283 . 1 1 28 28 GLU HB2 H 1 1.838 0.020 . 2 . . . . 146 GLU HB2 . 17087 1 284 . 1 1 28 28 GLU HB3 H 1 1.255 0.020 . 2 . . . . 146 GLU HB3 . 17087 1 285 . 1 1 28 28 GLU HG2 H 1 2.139 0.020 . 2 . . . . 146 GLU HG2 . 17087 1 286 . 1 1 28 28 GLU HG3 H 1 1.589 0.020 . 2 . . . . 146 GLU HG3 . 17087 1 287 . 1 1 28 28 GLU CA C 13 59.771 0.3 . 1 . . . . 146 GLU CA . 17087 1 288 . 1 1 28 28 GLU CB C 13 29.419 0.3 . 1 . . . . 146 GLU CB . 17087 1 289 . 1 1 28 28 GLU CG C 13 37.058 0.3 . 1 . . . . 146 GLU CG . 17087 1 290 . 1 1 28 28 GLU N N 15 120.379 0.3 . 1 . . . . 146 GLU N . 17087 1 291 . 1 1 29 29 ASP H H 1 7.989 0.020 . 1 . . . . 147 ASP H . 17087 1 292 . 1 1 29 29 ASP HA H 1 4.673 0.020 . 1 . . . . 147 ASP HA . 17087 1 293 . 1 1 29 29 ASP HB2 H 1 2.830 0.020 . 2 . . . . 147 ASP HB2 . 17087 1 294 . 1 1 29 29 ASP HB3 H 1 2.923 0.020 . 2 . . . . 147 ASP HB3 . 17087 1 295 . 1 1 29 29 ASP CA C 13 58.435 0.3 . 1 . . . . 147 ASP CA . 17087 1 296 . 1 1 29 29 ASP CB C 13 40.302 0.3 . 1 . . . . 147 ASP CB . 17087 1 297 . 1 1 29 29 ASP N N 15 119.110 0.3 . 1 . . . . 147 ASP N . 17087 1 298 . 1 1 30 30 ARG H H 1 8.055 0.020 . 1 . . . . 148 ARG H . 17087 1 299 . 1 1 30 30 ARG HA H 1 3.965 0.020 . 1 . . . . 148 ARG HA . 17087 1 300 . 1 1 30 30 ARG HB2 H 1 1.860 0.020 . 1 . . . . 148 ARG HB2 . 17087 1 301 . 1 1 30 30 ARG HB3 H 1 1.860 0.020 . 1 . . . . 148 ARG HB3 . 17087 1 302 . 1 1 30 30 ARG HD2 H 1 3.203 0.020 . 2 . . . . 148 ARG HD2 . 17087 1 303 . 1 1 30 30 ARG HD3 H 1 3.180 0.020 . 2 . . . . 148 ARG HD3 . 17087 1 304 . 1 1 30 30 ARG HE H 1 7.457 0.020 . 1 . . . . 148 ARG HE . 17087 1 305 . 1 1 30 30 ARG HG2 H 1 1.710 0.020 . 2 . . . . 148 ARG HG2 . 17087 1 306 . 1 1 30 30 ARG HG3 H 1 1.474 0.020 . 2 . . . . 148 ARG HG3 . 17087 1 307 . 1 1 30 30 ARG CA C 13 59.568 0.3 . 1 . . . . 148 ARG CA . 17087 1 308 . 1 1 30 30 ARG CB C 13 29.813 0.3 . 1 . . . . 148 ARG CB . 17087 1 309 . 1 1 30 30 ARG CD C 13 43.487 0.3 . 1 . . . . 148 ARG CD . 17087 1 310 . 1 1 30 30 ARG CG C 13 27.655 0.3 . 1 . . . . 148 ARG CG . 17087 1 311 . 1 1 30 30 ARG N N 15 120.032 0.3 . 1 . . . . 148 ARG N . 17087 1 312 . 1 1 30 30 ARG NE N 15 85.197 0.3 . 1 . . . . 148 ARG NE . 17087 1 313 . 1 1 31 31 TYR H H 1 8.274 0.020 . 1 . . . . 149 TYR H . 17087 1 314 . 1 1 31 31 TYR HA H 1 3.730 0.020 . 1 . . . . 149 TYR HA . 17087 1 315 . 1 1 31 31 TYR HB2 H 1 2.666 0.020 . 2 . . . . 149 TYR HB2 . 17087 1 316 . 1 1 31 31 TYR HB3 H 1 2.295 0.020 . 2 . . . . 149 TYR HB3 . 17087 1 317 . 1 1 31 31 TYR HD1 H 1 6.857 0.020 . 1 . . . . 149 TYR HD1 . 17087 1 318 . 1 1 31 31 TYR HD2 H 1 6.857 0.020 . 1 . . . . 149 TYR HD2 . 17087 1 319 . 1 1 31 31 TYR HE1 H 1 6.868 0.020 . 1 . . . . 149 TYR HE1 . 17087 1 320 . 1 1 31 31 TYR HE2 H 1 6.868 0.020 . 1 . . . . 149 TYR HE2 . 17087 1 321 . 1 1 31 31 TYR CA C 13 62.086 0.3 . 1 . . . . 149 TYR CA . 17087 1 322 . 1 1 31 31 TYR CB C 13 38.130 0.3 . 1 . . . . 149 TYR CB . 17087 1 323 . 1 1 31 31 TYR CD1 C 13 133.572 0.3 . 1 . . . . 149 TYR CD1 . 17087 1 324 . 1 1 31 31 TYR CE1 C 13 117.915 0.3 . 1 . . . . 149 TYR CE1 . 17087 1 325 . 1 1 31 31 TYR N N 15 120.949 0.3 . 1 . . . . 149 TYR N . 17087 1 326 . 1 1 32 32 TYR H H 1 9.009 0.020 . 1 . . . . 150 TYR H . 17087 1 327 . 1 1 32 32 TYR HA H 1 4.076 0.020 . 1 . . . . 150 TYR HA . 17087 1 328 . 1 1 32 32 TYR HB2 H 1 3.546 0.020 . 2 . . . . 150 TYR HB2 . 17087 1 329 . 1 1 32 32 TYR HB3 H 1 3.202 0.020 . 2 . . . . 150 TYR HB3 . 17087 1 330 . 1 1 32 32 TYR HD1 H 1 7.467 0.020 . 1 . . . . 150 TYR HD1 . 17087 1 331 . 1 1 32 32 TYR HD2 H 1 7.467 0.020 . 1 . . . . 150 TYR HD2 . 17087 1 332 . 1 1 32 32 TYR HE1 H 1 7.005 0.020 . 1 . . . . 150 TYR HE1 . 17087 1 333 . 1 1 32 32 TYR HE2 H 1 7.005 0.020 . 1 . . . . 150 TYR HE2 . 17087 1 334 . 1 1 32 32 TYR CA C 13 63.071 0.3 . 1 . . . . 150 TYR CA . 17087 1 335 . 1 1 32 32 TYR CB C 13 38.308 0.3 . 1 . . . . 150 TYR CB . 17087 1 336 . 1 1 32 32 TYR CD1 C 13 133.467 0.3 . 1 . . . . 150 TYR CD1 . 17087 1 337 . 1 1 32 32 TYR CE1 C 13 118.341 0.3 . 1 . . . . 150 TYR CE1 . 17087 1 338 . 1 1 32 32 TYR N N 15 120.407 0.3 . 1 . . . . 150 TYR N . 17087 1 339 . 1 1 33 33 ARG H H 1 7.907 0.020 . 1 . . . . 151 ARG H . 17087 1 340 . 1 1 33 33 ARG HA H 1 3.859 0.020 . 1 . . . . 151 ARG HA . 17087 1 341 . 1 1 33 33 ARG HB2 H 1 1.952 0.020 . 2 . . . . 151 ARG HB2 . 17087 1 342 . 1 1 33 33 ARG HB3 H 1 2.022 0.020 . 2 . . . . 151 ARG HB3 . 17087 1 343 . 1 1 33 33 ARG HD2 H 1 3.351 0.020 . 2 . . . . 151 ARG HD2 . 17087 1 344 . 1 1 33 33 ARG HD3 H 1 3.275 0.020 . 2 . . . . 151 ARG HD3 . 17087 1 345 . 1 1 33 33 ARG HE H 1 7.489 0.020 . 1 . . . . 151 ARG HE . 17087 1 346 . 1 1 33 33 ARG HG2 H 1 1.987 0.020 . 2 . . . . 151 ARG HG2 . 17087 1 347 . 1 1 33 33 ARG HG3 H 1 1.743 0.020 . 2 . . . . 151 ARG HG3 . 17087 1 348 . 1 1 33 33 ARG CA C 13 59.947 0.3 . 1 . . . . 151 ARG CA . 17087 1 349 . 1 1 33 33 ARG CB C 13 29.767 0.3 . 1 . . . . 151 ARG CB . 17087 1 350 . 1 1 33 33 ARG CD C 13 43.472 0.3 . 1 . . . . 151 ARG CD . 17087 1 351 . 1 1 33 33 ARG CG C 13 28.339 0.3 . 1 . . . . 151 ARG CG . 17087 1 352 . 1 1 33 33 ARG N N 15 117.273 0.3 . 1 . . . . 151 ARG N . 17087 1 353 . 1 1 33 33 ARG NE N 15 84.818 0.3 . 1 . . . . 151 ARG NE . 17087 1 354 . 1 1 34 34 GLU H H 1 7.872 0.020 . 1 . . . . 152 GLU H . 17087 1 355 . 1 1 34 34 GLU HA H 1 4.093 0.020 . 1 . . . . 152 GLU HA . 17087 1 356 . 1 1 34 34 GLU HB2 H 1 1.867 0.020 . 1 . . . . 152 GLU HB2 . 17087 1 357 . 1 1 34 34 GLU HB3 H 1 1.867 0.020 . 1 . . . . 152 GLU HB3 . 17087 1 358 . 1 1 34 34 GLU HG2 H 1 2.444 0.020 . 2 . . . . 152 GLU HG2 . 17087 1 359 . 1 1 34 34 GLU HG3 H 1 2.244 0.020 . 2 . . . . 152 GLU HG3 . 17087 1 360 . 1 1 34 34 GLU CA C 13 57.646 0.3 . 1 . . . . 152 GLU CA . 17087 1 361 . 1 1 34 34 GLU CB C 13 29.699 0.3 . 1 . . . . 152 GLU CB . 17087 1 362 . 1 1 34 34 GLU CG C 13 35.727 0.3 . 1 . . . . 152 GLU CG . 17087 1 363 . 1 1 34 34 GLU N N 15 115.414 0.3 . 1 . . . . 152 GLU N . 17087 1 364 . 1 1 35 35 ASN H H 1 7.562 0.020 . 1 . . . . 153 ASN H . 17087 1 365 . 1 1 35 35 ASN HA H 1 4.499 0.020 . 1 . . . . 153 ASN HA . 17087 1 366 . 1 1 35 35 ASN HB2 H 1 2.233 0.020 . 2 . . . . 153 ASN HB2 . 17087 1 367 . 1 1 35 35 ASN HB3 H 1 2.129 0.020 . 2 . . . . 153 ASN HB3 . 17087 1 368 . 1 1 35 35 ASN HD21 H 1 6.745 0.020 . 1 . . . . 153 ASN HD21 . 17087 1 369 . 1 1 35 35 ASN HD22 H 1 6.537 0.020 . 1 . . . . 153 ASN HD22 . 17087 1 370 . 1 1 35 35 ASN CA C 13 54.787 0.3 . 1 . . . . 153 ASN CA . 17087 1 371 . 1 1 35 35 ASN CB C 13 41.110 0.3 . 1 . . . . 153 ASN CB . 17087 1 372 . 1 1 35 35 ASN N N 15 115.318 0.3 . 1 . . . . 153 ASN N . 17087 1 373 . 1 1 35 35 ASN ND2 N 15 116.786 0.3 . 1 . . . . 153 ASN ND2 . 17087 1 374 . 1 1 36 36 MET H H 1 7.849 0.020 . 1 . . . . 154 MET H . 17087 1 375 . 1 1 36 36 MET HA H 1 3.471 0.020 . 1 . . . . 154 MET HA . 17087 1 376 . 1 1 36 36 MET HB2 H 1 1.573 0.020 . 2 . . . . 154 MET HB2 . 17087 1 377 . 1 1 36 36 MET HB3 H 1 1.247 0.020 . 2 . . . . 154 MET HB3 . 17087 1 378 . 1 1 36 36 MET HE1 H 1 1.918 0.020 . 1 . . . . 154 MET HE . 17087 1 379 . 1 1 36 36 MET HE2 H 1 1.918 0.020 . 1 . . . . 154 MET HE . 17087 1 380 . 1 1 36 36 MET HE3 H 1 1.918 0.020 . 1 . . . . 154 MET HE . 17087 1 381 . 1 1 36 36 MET HG2 H 1 2.274 0.020 . 2 . . . . 154 MET HG2 . 17087 1 382 . 1 1 36 36 MET HG3 H 1 1.780 0.020 . 2 . . . . 154 MET HG3 . 17087 1 383 . 1 1 36 36 MET CA C 13 59.115 0.3 . 1 . . . . 154 MET CA . 17087 1 384 . 1 1 36 36 MET CB C 13 30.537 0.3 . 1 . . . . 154 MET CB . 17087 1 385 . 1 1 36 36 MET CE C 13 17.240 0.3 . 1 . . . . 154 MET CE . 17087 1 386 . 1 1 36 36 MET CG C 13 30.071 0.3 . 1 . . . . 154 MET CG . 17087 1 387 . 1 1 36 36 MET N N 15 118.325 0.3 . 1 . . . . 154 MET N . 17087 1 388 . 1 1 37 37 TYR H H 1 7.618 0.020 . 1 . . . . 155 TYR H . 17087 1 389 . 1 1 37 37 TYR HA H 1 4.131 0.020 . 1 . . . . 155 TYR HA . 17087 1 390 . 1 1 37 37 TYR HB2 H 1 2.932 0.020 . 2 . . . . 155 TYR HB2 . 17087 1 391 . 1 1 37 37 TYR HB3 H 1 2.995 0.020 . 2 . . . . 155 TYR HB3 . 17087 1 392 . 1 1 37 37 TYR HD1 H 1 7.056 0.020 . 1 . . . . 155 TYR HD1 . 17087 1 393 . 1 1 37 37 TYR HD2 H 1 7.056 0.020 . 1 . . . . 155 TYR HD2 . 17087 1 394 . 1 1 37 37 TYR HE1 H 1 6.865 0.020 . 1 . . . . 155 TYR HE1 . 17087 1 395 . 1 1 37 37 TYR HE2 H 1 6.865 0.020 . 1 . . . . 155 TYR HE2 . 17087 1 396 . 1 1 37 37 TYR CA C 13 59.288 0.3 . 1 . . . . 155 TYR CA . 17087 1 397 . 1 1 37 37 TYR CB C 13 36.119 0.3 . 1 . . . . 155 TYR CB . 17087 1 398 . 1 1 37 37 TYR CD1 C 13 133.188 0.3 . 1 . . . . 155 TYR CD1 . 17087 1 399 . 1 1 37 37 TYR CE1 C 13 118.509 0.3 . 1 . . . . 155 TYR CE1 . 17087 1 400 . 1 1 37 37 TYR N N 15 116.238 0.3 . 1 . . . . 155 TYR N . 17087 1 401 . 1 1 38 38 ARG H H 1 7.531 0.020 . 1 . . . . 156 ARG H . 17087 1 402 . 1 1 38 38 ARG HA H 1 4.009 0.020 . 1 . . . . 156 ARG HA . 17087 1 403 . 1 1 38 38 ARG HB2 H 1 1.306 0.020 . 2 . . . . 156 ARG HB2 . 17087 1 404 . 1 1 38 38 ARG HB3 H 1 1.950 0.020 . 2 . . . . 156 ARG HB3 . 17087 1 405 . 1 1 38 38 ARG HD2 H 1 3.188 0.020 . 2 . . . . 156 ARG HD2 . 17087 1 406 . 1 1 38 38 ARG HD3 H 1 3.065 0.020 . 2 . . . . 156 ARG HD3 . 17087 1 407 . 1 1 38 38 ARG HE H 1 7.280 0.020 . 1 . . . . 156 ARG HE . 17087 1 408 . 1 1 38 38 ARG HG2 H 1 1.258 0.020 . 2 . . . . 156 ARG HG2 . 17087 1 409 . 1 1 38 38 ARG HG3 H 1 0.612 0.020 . 2 . . . . 156 ARG HG3 . 17087 1 410 . 1 1 38 38 ARG HH21 H 1 6.418 0.020 . 1 . . . . 156 ARG HH21 . 17087 1 411 . 1 1 38 38 ARG CA C 13 56.322 0.3 . 1 . . . . 156 ARG CA . 17087 1 412 . 1 1 38 38 ARG CB C 13 30.627 0.3 . 1 . . . . 156 ARG CB . 17087 1 413 . 1 1 38 38 ARG CD C 13 44.326 0.3 . 1 . . . . 156 ARG CD . 17087 1 414 . 1 1 38 38 ARG CG C 13 27.328 0.3 . 1 . . . . 156 ARG CG . 17087 1 415 . 1 1 38 38 ARG N N 15 118.573 0.3 . 1 . . . . 156 ARG N . 17087 1 416 . 1 1 38 38 ARG NE N 15 84.632 0.3 . 1 . . . . 156 ARG NE . 17087 1 417 . 1 1 39 39 TYR H H 1 7.341 0.020 . 1 . . . . 157 TYR H . 17087 1 418 . 1 1 39 39 TYR HA H 1 5.038 0.020 . 1 . . . . 157 TYR HA . 17087 1 419 . 1 1 39 39 TYR HB2 H 1 3.127 0.020 . 2 . . . . 157 TYR HB2 . 17087 1 420 . 1 1 39 39 TYR HB3 H 1 3.085 0.020 . 2 . . . . 157 TYR HB3 . 17087 1 421 . 1 1 39 39 TYR HD1 H 1 6.906 0.020 . 1 . . . . 157 TYR HD1 . 17087 1 422 . 1 1 39 39 TYR HD2 H 1 6.906 0.020 . 1 . . . . 157 TYR HD2 . 17087 1 423 . 1 1 39 39 TYR HE1 H 1 6.501 0.020 . 1 . . . . 157 TYR HE1 . 17087 1 424 . 1 1 39 39 TYR HE2 H 1 6.501 0.020 . 1 . . . . 157 TYR HE2 . 17087 1 425 . 1 1 39 39 TYR CA C 13 52.845 0.3 . 1 . . . . 157 TYR CA . 17087 1 426 . 1 1 39 39 TYR CB C 13 35.136 0.3 . 1 . . . . 157 TYR CB . 17087 1 427 . 1 1 39 39 TYR CD1 C 13 131.318 0.3 . 1 . . . . 157 TYR CD1 . 17087 1 428 . 1 1 39 39 TYR CE1 C 13 117.381 0.3 . 1 . . . . 157 TYR CE1 . 17087 1 429 . 1 1 39 39 TYR N N 15 120.522 0.3 . 1 . . . . 157 TYR N . 17087 1 430 . 1 1 40 40 PRO HA H 1 4.467 0.020 . 1 . . . . 158 PRO HA . 17087 1 431 . 1 1 40 40 PRO HB2 H 1 1.735 0.020 . 2 . . . . 158 PRO HB2 . 17087 1 432 . 1 1 40 40 PRO HB3 H 1 2.447 0.020 . 2 . . . . 158 PRO HB3 . 17087 1 433 . 1 1 40 40 PRO HD2 H 1 3.192 0.020 . 2 . . . . 158 PRO HD2 . 17087 1 434 . 1 1 40 40 PRO HD3 H 1 3.430 0.020 . 2 . . . . 158 PRO HD3 . 17087 1 435 . 1 1 40 40 PRO HG2 H 1 1.581 0.020 . 2 . . . . 158 PRO HG2 . 17087 1 436 . 1 1 40 40 PRO HG3 H 1 1.386 0.020 . 2 . . . . 158 PRO HG3 . 17087 1 437 . 1 1 40 40 PRO CA C 13 63.429 0.3 . 1 . . . . 158 PRO CA . 17087 1 438 . 1 1 40 40 PRO CB C 13 32.359 0.3 . 1 . . . . 158 PRO CB . 17087 1 439 . 1 1 40 40 PRO CD C 13 50.070 0.3 . 1 . . . . 158 PRO CD . 17087 1 440 . 1 1 40 40 PRO CG C 13 27.256 0.3 . 1 . . . . 158 PRO CG . 17087 1 441 . 1 1 41 41 ASN H H 1 8.447 0.020 . 1 . . . . 159 ASN H . 17087 1 442 . 1 1 41 41 ASN HA H 1 4.727 0.020 . 1 . . . . 159 ASN HA . 17087 1 443 . 1 1 41 41 ASN HB2 H 1 3.738 0.020 . 2 . . . . 159 ASN HB2 . 17087 1 444 . 1 1 41 41 ASN HB3 H 1 2.381 0.020 . 2 . . . . 159 ASN HB3 . 17087 1 445 . 1 1 41 41 ASN HD21 H 1 7.524 0.020 . 1 . . . . 159 ASN HD21 . 17087 1 446 . 1 1 41 41 ASN HD22 H 1 6.827 0.020 . 1 . . . . 159 ASN HD22 . 17087 1 447 . 1 1 41 41 ASN CA C 13 51.643 0.3 . 1 . . . . 159 ASN CA . 17087 1 448 . 1 1 41 41 ASN CB C 13 38.069 0.3 . 1 . . . . 159 ASN CB . 17087 1 449 . 1 1 41 41 ASN N N 15 115.622 0.3 . 1 . . . . 159 ASN N . 17087 1 450 . 1 1 41 41 ASN ND2 N 15 109.113 0.3 . 1 . . . . 159 ASN ND2 . 17087 1 451 . 1 1 42 42 GLN H H 1 7.247 0.020 . 1 . . . . 160 GLN H . 17087 1 452 . 1 1 42 42 GLN HA H 1 4.585 0.020 . 1 . . . . 160 GLN HA . 17087 1 453 . 1 1 42 42 GLN HB2 H 1 1.954 0.020 . 2 . . . . 160 GLN HB2 . 17087 1 454 . 1 1 42 42 GLN HB3 H 1 1.694 0.020 . 2 . . . . 160 GLN HB3 . 17087 1 455 . 1 1 42 42 GLN HE21 H 1 7.947 0.020 . 1 . . . . 160 GLN HE21 . 17087 1 456 . 1 1 42 42 GLN HE22 H 1 7.051 0.020 . 1 . . . . 160 GLN HE22 . 17087 1 457 . 1 1 42 42 GLN HG2 H 1 2.153 0.020 . 2 . . . . 160 GLN HG2 . 17087 1 458 . 1 1 42 42 GLN HG3 H 1 2.024 0.020 . 2 . . . . 160 GLN HG3 . 17087 1 459 . 1 1 42 42 GLN CA C 13 54.070 0.3 . 1 . . . . 160 GLN CA . 17087 1 460 . 1 1 42 42 GLN CB C 13 33.544 0.3 . 1 . . . . 160 GLN CB . 17087 1 461 . 1 1 42 42 GLN CG C 13 34.079 0.3 . 1 . . . . 160 GLN CG . 17087 1 462 . 1 1 42 42 GLN N N 15 113.690 0.3 . 1 . . . . 160 GLN N . 17087 1 463 . 1 1 42 42 GLN NE2 N 15 112.873 0.3 . 1 . . . . 160 GLN NE2 . 17087 1 464 . 1 1 43 43 VAL H H 1 8.557 0.020 . 1 . . . . 161 VAL H . 17087 1 465 . 1 1 43 43 VAL HA H 1 4.895 0.020 . 1 . . . . 161 VAL HA . 17087 1 466 . 1 1 43 43 VAL HB H 1 2.621 0.020 . 1 . . . . 161 VAL HB . 17087 1 467 . 1 1 43 43 VAL HG11 H 1 0.971 0.020 . 2 . . . . 161 VAL HG1 . 17087 1 468 . 1 1 43 43 VAL HG12 H 1 0.971 0.020 . 2 . . . . 161 VAL HG1 . 17087 1 469 . 1 1 43 43 VAL HG13 H 1 0.971 0.020 . 2 . . . . 161 VAL HG1 . 17087 1 470 . 1 1 43 43 VAL HG21 H 1 0.754 0.020 . 2 . . . . 161 VAL HG2 . 17087 1 471 . 1 1 43 43 VAL HG22 H 1 0.754 0.020 . 2 . . . . 161 VAL HG2 . 17087 1 472 . 1 1 43 43 VAL HG23 H 1 0.754 0.020 . 2 . . . . 161 VAL HG2 . 17087 1 473 . 1 1 43 43 VAL CA C 13 58.597 0.3 . 1 . . . . 161 VAL CA . 17087 1 474 . 1 1 43 43 VAL CB C 13 33.928 0.3 . 1 . . . . 161 VAL CB . 17087 1 475 . 1 1 43 43 VAL CG1 C 13 23.667 0.3 . 1 . . . . 161 VAL CG1 . 17087 1 476 . 1 1 43 43 VAL CG2 C 13 18.126 0.3 . 1 . . . . 161 VAL CG2 . 17087 1 477 . 1 1 43 43 VAL N N 15 113.007 0.3 . 1 . . . . 161 VAL N . 17087 1 478 . 1 1 44 44 TYR H H 1 8.510 0.020 . 1 . . . . 162 TYR H . 17087 1 479 . 1 1 44 44 TYR HA H 1 5.519 0.020 . 1 . . . . 162 TYR HA . 17087 1 480 . 1 1 44 44 TYR HB2 H 1 2.596 0.020 . 2 . . . . 162 TYR HB2 . 17087 1 481 . 1 1 44 44 TYR HB3 H 1 2.576 0.020 . 2 . . . . 162 TYR HB3 . 17087 1 482 . 1 1 44 44 TYR HD1 H 1 6.879 0.020 . 1 . . . . 162 TYR HD1 . 17087 1 483 . 1 1 44 44 TYR HD2 H 1 6.879 0.020 . 1 . . . . 162 TYR HD2 . 17087 1 484 . 1 1 44 44 TYR HE1 H 1 6.742 0.020 . 1 . . . . 162 TYR HE1 . 17087 1 485 . 1 1 44 44 TYR HE2 H 1 6.742 0.020 . 1 . . . . 162 TYR HE2 . 17087 1 486 . 1 1 44 44 TYR CA C 13 56.896 0.3 . 1 . . . . 162 TYR CA . 17087 1 487 . 1 1 44 44 TYR CB C 13 30.676 0.3 . 1 . . . . 162 TYR CB . 17087 1 488 . 1 1 44 44 TYR CD1 C 13 132.957 0.3 . 1 . . . . 162 TYR CD1 . 17087 1 489 . 1 1 44 44 TYR CE1 C 13 118.424 0.3 . 1 . . . . 162 TYR CE1 . 17087 1 490 . 1 1 44 44 TYR N N 15 121.437 0.3 . 1 . . . . 162 TYR N . 17087 1 491 . 1 1 45 45 TYR H H 1 8.649 0.020 . 1 . . . . 163 TYR H . 17087 1 492 . 1 1 45 45 TYR HA H 1 4.711 0.020 . 1 . . . . 163 TYR HA . 17087 1 493 . 1 1 45 45 TYR HB2 H 1 2.653 0.020 . 2 . . . . 163 TYR HB2 . 17087 1 494 . 1 1 45 45 TYR HB3 H 1 2.610 0.020 . 2 . . . . 163 TYR HB3 . 17087 1 495 . 1 1 45 45 TYR HD1 H 1 6.957 0.020 . 1 . . . . 163 TYR HD1 . 17087 1 496 . 1 1 45 45 TYR HD2 H 1 6.957 0.020 . 1 . . . . 163 TYR HD2 . 17087 1 497 . 1 1 45 45 TYR HE1 H 1 6.459 0.020 . 1 . . . . 163 TYR HE1 . 17087 1 498 . 1 1 45 45 TYR HE2 H 1 6.459 0.020 . 1 . . . . 163 TYR HE2 . 17087 1 499 . 1 1 45 45 TYR CA C 13 55.684 0.3 . 1 . . . . 163 TYR CA . 17087 1 500 . 1 1 45 45 TYR CB C 13 40.484 0.3 . 1 . . . . 163 TYR CB . 17087 1 501 . 1 1 45 45 TYR CD1 C 13 133.890 0.3 . 1 . . . . 163 TYR CD1 . 17087 1 502 . 1 1 45 45 TYR CE1 C 13 117.578 0.3 . 1 . . . . 163 TYR CE1 . 17087 1 503 . 1 1 45 45 TYR N N 15 110.963 0.3 . 1 . . . . 163 TYR N . 17087 1 504 . 1 1 46 46 ARG H H 1 8.153 0.020 . 1 . . . . 164 ARG H . 17087 1 505 . 1 1 46 46 ARG HA H 1 4.642 0.020 . 1 . . . . 164 ARG HA . 17087 1 506 . 1 1 46 46 ARG HB2 H 1 1.482 0.020 . 2 . . . . 164 ARG HB2 . 17087 1 507 . 1 1 46 46 ARG HB3 H 1 1.595 0.020 . 2 . . . . 164 ARG HB3 . 17087 1 508 . 1 1 46 46 ARG HD2 H 1 2.864 0.020 . 2 . . . . 164 ARG HD2 . 17087 1 509 . 1 1 46 46 ARG HD3 H 1 2.941 0.020 . 2 . . . . 164 ARG HD3 . 17087 1 510 . 1 1 46 46 ARG HE H 1 7.055 0.020 . 1 . . . . 164 ARG HE . 17087 1 511 . 1 1 46 46 ARG HG2 H 1 1.213 0.020 . 2 . . . . 164 ARG HG2 . 17087 1 512 . 1 1 46 46 ARG HG3 H 1 1.142 0.020 . 2 . . . . 164 ARG HG3 . 17087 1 513 . 1 1 46 46 ARG CA C 13 52.811 0.3 . 1 . . . . 164 ARG CA . 17087 1 514 . 1 1 46 46 ARG CB C 13 30.668 0.3 . 1 . . . . 164 ARG CB . 17087 1 515 . 1 1 46 46 ARG CD C 13 43.476 0.3 . 1 . . . . 164 ARG CD . 17087 1 516 . 1 1 46 46 ARG CG C 13 27.127 0.3 . 1 . . . . 164 ARG CG . 17087 1 517 . 1 1 46 46 ARG N N 15 121.324 0.3 . 1 . . . . 164 ARG N . 17087 1 518 . 1 1 46 46 ARG NE N 15 85.052 0.3 . 1 . . . . 164 ARG NE . 17087 1 519 . 1 1 47 47 PRO HA H 1 4.590 0.020 . 1 . . . . 165 PRO HA . 17087 1 520 . 1 1 47 47 PRO HB2 H 1 1.927 0.020 . 2 . . . . 165 PRO HB2 . 17087 1 521 . 1 1 47 47 PRO HB3 H 1 2.483 0.020 . 2 . . . . 165 PRO HB3 . 17087 1 522 . 1 1 47 47 PRO HD2 H 1 3.654 0.020 . 2 . . . . 165 PRO HD2 . 17087 1 523 . 1 1 47 47 PRO HD3 H 1 3.540 0.020 . 2 . . . . 165 PRO HD3 . 17087 1 524 . 1 1 47 47 PRO HG2 H 1 2.093 0.020 . 2 . . . . 165 PRO HG2 . 17087 1 525 . 1 1 47 47 PRO HG3 H 1 1.964 0.020 . 2 . . . . 165 PRO HG3 . 17087 1 526 . 1 1 47 47 PRO CA C 13 63.246 0.3 . 1 . . . . 165 PRO CA . 17087 1 527 . 1 1 47 47 PRO CB C 13 32.387 0.3 . 1 . . . . 165 PRO CB . 17087 1 528 . 1 1 47 47 PRO CD C 13 50.533 0.3 . 1 . . . . 165 PRO CD . 17087 1 529 . 1 1 47 47 PRO CG C 13 27.953 0.3 . 1 . . . . 165 PRO CG . 17087 1 530 . 1 1 48 48 VAL H H 1 8.673 0.020 . 1 . . . . 166 VAL H . 17087 1 531 . 1 1 48 48 VAL HA H 1 4.218 0.020 . 1 . . . . 166 VAL HA . 17087 1 532 . 1 1 48 48 VAL HB H 1 2.091 0.020 . 1 . . . . 166 VAL HB . 17087 1 533 . 1 1 48 48 VAL HG11 H 1 0.942 0.020 . 2 . . . . 166 VAL HG1 . 17087 1 534 . 1 1 48 48 VAL HG12 H 1 0.942 0.020 . 2 . . . . 166 VAL HG1 . 17087 1 535 . 1 1 48 48 VAL HG13 H 1 0.942 0.020 . 2 . . . . 166 VAL HG1 . 17087 1 536 . 1 1 48 48 VAL HG21 H 1 0.910 0.020 . 2 . . . . 166 VAL HG2 . 17087 1 537 . 1 1 48 48 VAL HG22 H 1 0.910 0.020 . 2 . . . . 166 VAL HG2 . 17087 1 538 . 1 1 48 48 VAL HG23 H 1 0.910 0.020 . 2 . . . . 166 VAL HG2 . 17087 1 539 . 1 1 48 48 VAL CA C 13 63.400 0.3 . 1 . . . . 166 VAL CA . 17087 1 540 . 1 1 48 48 VAL CB C 13 32.678 0.3 . 1 . . . . 166 VAL CB . 17087 1 541 . 1 1 48 48 VAL CG1 C 13 21.708 0.3 . 1 . . . . 166 VAL CG1 . 17087 1 542 . 1 1 48 48 VAL CG2 C 13 21.727 0.3 . 1 . . . . 166 VAL CG2 . 17087 1 543 . 1 1 48 48 VAL N N 15 120.384 0.3 . 1 . . . . 166 VAL N . 17087 1 544 . 1 1 49 49 ASP H H 1 8.650 0.020 . 1 . . . . 167 ASP H . 17087 1 545 . 1 1 49 49 ASP HA H 1 4.690 0.020 . 1 . . . . 167 ASP HA . 17087 1 546 . 1 1 49 49 ASP HB2 H 1 3.032 0.020 . 2 . . . . 167 ASP HB2 . 17087 1 547 . 1 1 49 49 ASP HB3 H 1 2.756 0.020 . 2 . . . . 167 ASP HB3 . 17087 1 548 . 1 1 49 49 ASP CA C 13 53.479 0.3 . 1 . . . . 167 ASP CA . 17087 1 549 . 1 1 49 49 ASP CB C 13 41.062 0.3 . 1 . . . . 167 ASP CB . 17087 1 550 . 1 1 49 49 ASP N N 15 122.598 0.3 . 1 . . . . 167 ASP N . 17087 1 551 . 1 1 50 50 GLN H H 1 8.406 0.020 . 1 . . . . 168 GLN H . 17087 1 552 . 1 1 50 50 GLN HA H 1 4.221 0.020 . 1 . . . . 168 GLN HA . 17087 1 553 . 1 1 50 50 GLN HB2 H 1 2.227 0.020 . 2 . . . . 168 GLN HB2 . 17087 1 554 . 1 1 50 50 GLN HB3 H 1 2.078 0.020 . 2 . . . . 168 GLN HB3 . 17087 1 555 . 1 1 50 50 GLN HE21 H 1 7.663 0.020 . 1 . . . . 168 GLN HE21 . 17087 1 556 . 1 1 50 50 GLN HE22 H 1 6.899 0.020 . 1 . . . . 168 GLN HE22 . 17087 1 557 . 1 1 50 50 GLN HG2 H 1 2.424 0.020 . 1 . . . . 168 GLN HG2 . 17087 1 558 . 1 1 50 50 GLN HG3 H 1 2.424 0.020 . 1 . . . . 168 GLN HG3 . 17087 1 559 . 1 1 50 50 GLN CA C 13 57.432 0.3 . 1 . . . . 168 GLN CA . 17087 1 560 . 1 1 50 50 GLN CB C 13 28.560 0.3 . 1 . . . . 168 GLN CB . 17087 1 561 . 1 1 50 50 GLN CG C 13 28.579 0.3 . 1 . . . . 168 GLN CG . 17087 1 562 . 1 1 50 50 GLN N N 15 117.863 0.3 . 1 . . . . 168 GLN N . 17087 1 563 . 1 1 50 50 GLN NE2 N 15 112.448 0.3 . 1 . . . . 168 GLN NE2 . 17087 1 564 . 1 1 51 51 ALA H H 1 8.182 0.020 . 1 . . . . 169 ALA H . 17087 1 565 . 1 1 51 51 ALA HA H 1 4.573 0.020 . 1 . . . . 169 ALA HA . 17087 1 566 . 1 1 51 51 ALA HB1 H 1 1.525 0.020 . 1 . . . . 169 ALA HB . 17087 1 567 . 1 1 51 51 ALA HB2 H 1 1.525 0.020 . 1 . . . . 169 ALA HB . 17087 1 568 . 1 1 51 51 ALA HB3 H 1 1.525 0.020 . 1 . . . . 169 ALA HB . 17087 1 569 . 1 1 51 51 ALA CA C 13 51.761 0.3 . 1 . . . . 169 ALA CA . 17087 1 570 . 1 1 51 51 ALA CB C 13 19.384 0.3 . 1 . . . . 169 ALA CB . 17087 1 571 . 1 1 51 51 ALA N N 15 121.929 0.3 . 1 . . . . 169 ALA N . 17087 1 572 . 1 1 52 52 SER H H 1 8.187 0.020 . 1 . . . . 170 SER H . 17087 1 573 . 1 1 52 52 SER HA H 1 4.582 0.020 . 1 . . . . 170 SER HA . 17087 1 574 . 1 1 52 52 SER HB2 H 1 4.084 0.020 . 1 . . . . 170 SER HB2 . 17087 1 575 . 1 1 52 52 SER HB3 H 1 4.084 0.020 . 1 . . . . 170 SER HB3 . 17087 1 576 . 1 1 52 52 SER CA C 13 59.649 0.3 . 1 . . . . 170 SER CA . 17087 1 577 . 1 1 52 52 SER CB C 13 63.863 0.3 . 1 . . . . 170 SER CB . 17087 1 578 . 1 1 52 52 SER N N 15 115.939 0.3 . 1 . . . . 170 SER N . 17087 1 579 . 1 1 53 53 ASN H H 1 8.381 0.020 . 1 . . . . 171 ASN H . 17087 1 580 . 1 1 53 53 ASN HA H 1 4.790 0.020 . 1 . . . . 171 ASN HA . 17087 1 581 . 1 1 53 53 ASN HB2 H 1 3.050 0.020 . 2 . . . . 171 ASN HB2 . 17087 1 582 . 1 1 53 53 ASN HB3 H 1 2.972 0.020 . 2 . . . . 171 ASN HB3 . 17087 1 583 . 1 1 53 53 ASN HD21 H 1 7.714 0.020 . 1 . . . . 171 ASN HD21 . 17087 1 584 . 1 1 53 53 ASN HD22 H 1 6.778 0.020 . 1 . . . . 171 ASN HD22 . 17087 1 585 . 1 1 53 53 ASN CA C 13 52.239 0.3 . 1 . . . . 171 ASN CA . 17087 1 586 . 1 1 53 53 ASN CB C 13 40.067 0.3 . 1 . . . . 171 ASN CB . 17087 1 587 . 1 1 53 53 ASN N N 15 117.894 0.3 . 1 . . . . 171 ASN N . 17087 1 588 . 1 1 53 53 ASN ND2 N 15 114.074 0.3 . 1 . . . . 171 ASN ND2 . 17087 1 589 . 1 1 54 54 GLN H H 1 8.781 0.020 . 1 . . . . 172 GLN H . 17087 1 590 . 1 1 54 54 GLN HA H 1 2.676 0.020 . 1 . . . . 172 GLN HA . 17087 1 591 . 1 1 54 54 GLN HB2 H 1 1.765 0.020 . 2 . . . . 172 GLN HB2 . 17087 1 592 . 1 1 54 54 GLN HB3 H 1 1.660 0.020 . 2 . . . . 172 GLN HB3 . 17087 1 593 . 1 1 54 54 GLN HE21 H 1 7.389 0.020 . 1 . . . . 172 GLN HE21 . 17087 1 594 . 1 1 54 54 GLN HE22 H 1 6.933 0.020 . 1 . . . . 172 GLN HE22 . 17087 1 595 . 1 1 54 54 GLN HG2 H 1 1.985 0.020 . 2 . . . . 172 GLN HG2 . 17087 1 596 . 1 1 54 54 GLN HG3 H 1 1.432 0.020 . 2 . . . . 172 GLN HG3 . 17087 1 597 . 1 1 54 54 GLN CA C 13 59.745 0.3 . 1 . . . . 172 GLN CA . 17087 1 598 . 1 1 54 54 GLN CB C 13 28.909 0.3 . 1 . . . . 172 GLN CB . 17087 1 599 . 1 1 54 54 GLN CG C 13 33.762 0.3 . 1 . . . . 172 GLN CG . 17087 1 600 . 1 1 54 54 GLN N N 15 121.636 0.3 . 1 . . . . 172 GLN N . 17087 1 601 . 1 1 54 54 GLN NE2 N 15 111.955 0.3 . 1 . . . . 172 GLN NE2 . 17087 1 602 . 1 1 55 55 ASN H H 1 8.423 0.020 . 1 . . . . 173 ASN H . 17087 1 603 . 1 1 55 55 ASN HA H 1 4.296 0.020 . 1 . . . . 173 ASN HA . 17087 1 604 . 1 1 55 55 ASN HB2 H 1 2.698 0.020 . 2 . . . . 173 ASN HB2 . 17087 1 605 . 1 1 55 55 ASN HB3 H 1 2.769 0.020 . 2 . . . . 173 ASN HB3 . 17087 1 606 . 1 1 55 55 ASN HD21 H 1 7.645 0.020 . 1 . . . . 173 ASN HD21 . 17087 1 607 . 1 1 55 55 ASN HD22 H 1 6.997 0.020 . 1 . . . . 173 ASN HD22 . 17087 1 608 . 1 1 55 55 ASN CA C 13 56.440 0.3 . 1 . . . . 173 ASN CA . 17087 1 609 . 1 1 55 55 ASN CB C 13 37.929 0.3 . 1 . . . . 173 ASN CB . 17087 1 610 . 1 1 55 55 ASN N N 15 116.545 0.3 . 1 . . . . 173 ASN N . 17087 1 611 . 1 1 55 55 ASN ND2 N 15 112.978 0.3 . 1 . . . . 173 ASN ND2 . 17087 1 612 . 1 1 56 56 ASN H H 1 8.657 0.020 . 1 . . . . 174 ASN H . 17087 1 613 . 1 1 56 56 ASN HA H 1 4.535 0.020 . 1 . . . . 174 ASN HA . 17087 1 614 . 1 1 56 56 ASN HB2 H 1 2.961 0.020 . 2 . . . . 174 ASN HB2 . 17087 1 615 . 1 1 56 56 ASN HB3 H 1 2.922 0.020 . 2 . . . . 174 ASN HB3 . 17087 1 616 . 1 1 56 56 ASN HD21 H 1 7.726 0.020 . 1 . . . . 174 ASN HD21 . 17087 1 617 . 1 1 56 56 ASN HD22 H 1 7.080 0.020 . 1 . . . . 174 ASN HD22 . 17087 1 618 . 1 1 56 56 ASN CA C 13 55.833 0.3 . 1 . . . . 174 ASN CA . 17087 1 619 . 1 1 56 56 ASN CB C 13 37.806 0.3 . 1 . . . . 174 ASN CB . 17087 1 620 . 1 1 56 56 ASN N N 15 119.158 0.3 . 1 . . . . 174 ASN N . 17087 1 621 . 1 1 56 56 ASN ND2 N 15 112.118 0.3 . 1 . . . . 174 ASN ND2 . 17087 1 622 . 1 1 57 57 PHE H H 1 8.338 0.020 . 1 . . . . 175 PHE H . 17087 1 623 . 1 1 57 57 PHE HA H 1 4.373 0.020 . 1 . . . . 175 PHE HA . 17087 1 624 . 1 1 57 57 PHE HB2 H 1 3.227 0.020 . 2 . . . . 175 PHE HB2 . 17087 1 625 . 1 1 57 57 PHE HB3 H 1 3.204 0.020 . 2 . . . . 175 PHE HB3 . 17087 1 626 . 1 1 57 57 PHE HD1 H 1 7.348 0.020 . 1 . . . . 175 PHE HD1 . 17087 1 627 . 1 1 57 57 PHE HD2 H 1 7.348 0.020 . 1 . . . . 175 PHE HD2 . 17087 1 628 . 1 1 57 57 PHE HE1 H 1 7.728 0.020 . 1 . . . . 175 PHE HE1 . 17087 1 629 . 1 1 57 57 PHE HE2 H 1 7.728 0.020 . 1 . . . . 175 PHE HE2 . 17087 1 630 . 1 1 57 57 PHE HZ H 1 6.707 0.020 . 1 . . . . 175 PHE HZ . 17087 1 631 . 1 1 57 57 PHE CA C 13 61.400 0.3 . 1 . . . . 175 PHE CA . 17087 1 632 . 1 1 57 57 PHE CB C 13 39.501 0.3 . 1 . . . . 175 PHE CB . 17087 1 633 . 1 1 57 57 PHE CD1 C 13 132.976 0.3 . 1 . . . . 175 PHE CD1 . 17087 1 634 . 1 1 57 57 PHE CE1 C 13 132.051 0.3 . 1 . . . . 175 PHE CE1 . 17087 1 635 . 1 1 57 57 PHE CZ C 13 129.318 0.3 . 1 . . . . 175 PHE CZ . 17087 1 636 . 1 1 57 57 PHE N N 15 121.877 0.3 . 1 . . . . 175 PHE N . 17087 1 637 . 1 1 58 58 VAL H H 1 9.155 0.020 . 1 . . . . 176 VAL H . 17087 1 638 . 1 1 58 58 VAL HA H 1 3.597 0.020 . 1 . . . . 176 VAL HA . 17087 1 639 . 1 1 58 58 VAL HB H 1 2.302 0.020 . 1 . . . . 176 VAL HB . 17087 1 640 . 1 1 58 58 VAL HG11 H 1 1.140 0.020 . 2 . . . . 176 VAL HG1 . 17087 1 641 . 1 1 58 58 VAL HG12 H 1 1.140 0.020 . 2 . . . . 176 VAL HG1 . 17087 1 642 . 1 1 58 58 VAL HG13 H 1 1.140 0.020 . 2 . . . . 176 VAL HG1 . 17087 1 643 . 1 1 58 58 VAL HG21 H 1 1.050 0.020 . 2 . . . . 176 VAL HG2 . 17087 1 644 . 1 1 58 58 VAL HG22 H 1 1.050 0.020 . 2 . . . . 176 VAL HG2 . 17087 1 645 . 1 1 58 58 VAL HG23 H 1 1.050 0.020 . 2 . . . . 176 VAL HG2 . 17087 1 646 . 1 1 58 58 VAL CA C 13 67.822 0.3 . 1 . . . . 176 VAL CA . 17087 1 647 . 1 1 58 58 VAL CB C 13 31.848 0.3 . 1 . . . . 176 VAL CB . 17087 1 648 . 1 1 58 58 VAL CG1 C 13 24.605 0.3 . 1 . . . . 176 VAL CG1 . 17087 1 649 . 1 1 58 58 VAL CG2 C 13 21.631 0.3 . 1 . . . . 176 VAL CG2 . 17087 1 650 . 1 1 58 58 VAL N N 15 120.510 0.3 . 1 . . . . 176 VAL N . 17087 1 651 . 1 1 59 59 HIS H H 1 8.360 0.020 . 1 . . . . 177 HIS H . 17087 1 652 . 1 1 59 59 HIS HA H 1 4.324 0.020 . 1 . . . . 177 HIS HA . 17087 1 653 . 1 1 59 59 HIS HB2 H 1 3.402 0.020 . 2 . . . . 177 HIS HB2 . 17087 1 654 . 1 1 59 59 HIS HB3 H 1 3.352 0.020 . 2 . . . . 177 HIS HB3 . 17087 1 655 . 1 1 59 59 HIS HD2 H 1 7.376 0.020 . 1 . . . . 177 HIS HD2 . 17087 1 656 . 1 1 59 59 HIS HE1 H 1 8.615 0.020 . 1 . . . . 177 HIS HE1 . 17087 1 657 . 1 1 59 59 HIS CA C 13 59.473 0.3 . 1 . . . . 177 HIS CA . 17087 1 658 . 1 1 59 59 HIS CB C 13 28.129 0.3 . 1 . . . . 177 HIS CB . 17087 1 659 . 1 1 59 59 HIS CD2 C 13 120.171 0.3 . 1 . . . . 177 HIS CD2 . 17087 1 660 . 1 1 59 59 HIS CE1 C 13 136.409 0.3 . 1 . . . . 177 HIS CE1 . 17087 1 661 . 1 1 59 59 HIS N N 15 117.274 0.3 . 1 . . . . 177 HIS N . 17087 1 662 . 1 1 60 60 ASP H H 1 7.892 0.020 . 1 . . . . 178 ASP H . 17087 1 663 . 1 1 60 60 ASP HA H 1 4.474 0.020 . 1 . . . . 178 ASP HA . 17087 1 664 . 1 1 60 60 ASP HB2 H 1 2.917 0.020 . 2 . . . . 178 ASP HB2 . 17087 1 665 . 1 1 60 60 ASP HB3 H 1 2.834 0.020 . 2 . . . . 178 ASP HB3 . 17087 1 666 . 1 1 60 60 ASP CA C 13 57.292 0.3 . 1 . . . . 178 ASP CA . 17087 1 667 . 1 1 60 60 ASP CB C 13 41.226 0.3 . 1 . . . . 178 ASP CB . 17087 1 668 . 1 1 60 60 ASP N N 15 118.754 0.3 . 1 . . . . 178 ASP N . 17087 1 669 . 1 1 61 61 CYS H H 1 8.236 0.020 . 1 . . . . 179 CYS H . 17087 1 670 . 1 1 61 61 CYS HA H 1 4.776 0.020 . 1 . . . . 179 CYS HA . 17087 1 671 . 1 1 61 61 CYS HB2 H 1 3.393 0.020 . 2 . . . . 179 CYS HB2 . 17087 1 672 . 1 1 61 61 CYS HB3 H 1 2.975 0.020 . 2 . . . . 179 CYS HB3 . 17087 1 673 . 1 1 61 61 CYS CA C 13 58.426 0.3 . 1 . . . . 179 CYS CA . 17087 1 674 . 1 1 61 61 CYS CB C 13 40.757 0.3 . 1 . . . . 179 CYS CB . 17087 1 675 . 1 1 61 61 CYS N N 15 119.497 0.3 . 1 . . . . 179 CYS N . 17087 1 676 . 1 1 62 62 VAL H H 1 9.280 0.020 . 1 . . . . 180 VAL H . 17087 1 677 . 1 1 62 62 VAL HA H 1 3.646 0.020 . 1 . . . . 180 VAL HA . 17087 1 678 . 1 1 62 62 VAL HB H 1 2.181 0.020 . 1 . . . . 180 VAL HB . 17087 1 679 . 1 1 62 62 VAL HG11 H 1 0.979 0.020 . 2 . . . . 180 VAL HG1 . 17087 1 680 . 1 1 62 62 VAL HG12 H 1 0.979 0.020 . 2 . . . . 180 VAL HG1 . 17087 1 681 . 1 1 62 62 VAL HG13 H 1 0.979 0.020 . 2 . . . . 180 VAL HG1 . 17087 1 682 . 1 1 62 62 VAL HG21 H 1 1.101 0.020 . 2 . . . . 180 VAL HG2 . 17087 1 683 . 1 1 62 62 VAL HG22 H 1 1.101 0.020 . 2 . . . . 180 VAL HG2 . 17087 1 684 . 1 1 62 62 VAL HG23 H 1 1.101 0.020 . 2 . . . . 180 VAL HG2 . 17087 1 685 . 1 1 62 62 VAL CA C 13 66.166 0.3 . 1 . . . . 180 VAL CA . 17087 1 686 . 1 1 62 62 VAL CB C 13 31.947 0.3 . 1 . . . . 180 VAL CB . 17087 1 687 . 1 1 62 62 VAL CG1 C 13 21.667 0.3 . 1 . . . . 180 VAL CG1 . 17087 1 688 . 1 1 62 62 VAL CG2 C 13 23.652 0.3 . 1 . . . . 180 VAL CG2 . 17087 1 689 . 1 1 62 62 VAL N N 15 125.060 0.3 . 1 . . . . 180 VAL N . 17087 1 690 . 1 1 63 63 ASN H H 1 7.735 0.020 . 1 . . . . 181 ASN H . 17087 1 691 . 1 1 63 63 ASN HA H 1 4.314 0.020 . 1 . . . . 181 ASN HA . 17087 1 692 . 1 1 63 63 ASN HB2 H 1 2.841 0.020 . 2 . . . . 181 ASN HB2 . 17087 1 693 . 1 1 63 63 ASN HB3 H 1 2.781 0.020 . 2 . . . . 181 ASN HB3 . 17087 1 694 . 1 1 63 63 ASN HD21 H 1 7.677 0.020 . 1 . . . . 181 ASN HD21 . 17087 1 695 . 1 1 63 63 ASN HD22 H 1 6.829 0.020 . 1 . . . . 181 ASN HD22 . 17087 1 696 . 1 1 63 63 ASN CA C 13 56.596 0.3 . 1 . . . . 181 ASN CA . 17087 1 697 . 1 1 63 63 ASN CB C 13 38.717 0.3 . 1 . . . . 181 ASN CB . 17087 1 698 . 1 1 63 63 ASN N N 15 116.101 0.3 . 1 . . . . 181 ASN N . 17087 1 699 . 1 1 63 63 ASN ND2 N 15 112.180 0.3 . 1 . . . . 181 ASN ND2 . 17087 1 700 . 1 1 64 64 ILE H H 1 8.562 0.020 . 1 . . . . 182 ILE H . 17087 1 701 . 1 1 64 64 ILE HA H 1 3.803 0.020 . 1 . . . . 182 ILE HA . 17087 1 702 . 1 1 64 64 ILE HB H 1 1.543 0.020 . 1 . . . . 182 ILE HB . 17087 1 703 . 1 1 64 64 ILE HD11 H 1 0.381 0.020 . 1 . . . . 182 ILE HD1 . 17087 1 704 . 1 1 64 64 ILE HD12 H 1 0.381 0.020 . 1 . . . . 182 ILE HD1 . 17087 1 705 . 1 1 64 64 ILE HD13 H 1 0.381 0.020 . 1 . . . . 182 ILE HD1 . 17087 1 706 . 1 1 64 64 ILE HG12 H 1 0.804 0.020 . 2 . . . . 182 ILE HG12 . 17087 1 707 . 1 1 64 64 ILE HG13 H 1 0.748 0.020 . 2 . . . . 182 ILE HG13 . 17087 1 708 . 1 1 64 64 ILE HG21 H 1 0.328 0.020 . 1 . . . . 182 ILE HG2 . 17087 1 709 . 1 1 64 64 ILE HG22 H 1 0.328 0.020 . 1 . . . . 182 ILE HG2 . 17087 1 710 . 1 1 64 64 ILE HG23 H 1 0.328 0.020 . 1 . . . . 182 ILE HG2 . 17087 1 711 . 1 1 64 64 ILE CA C 13 61.913 0.3 . 1 . . . . 182 ILE CA . 17087 1 712 . 1 1 64 64 ILE CB C 13 36.593 0.3 . 1 . . . . 182 ILE CB . 17087 1 713 . 1 1 64 64 ILE CD1 C 13 11.577 0.3 . 1 . . . . 182 ILE CD1 . 17087 1 714 . 1 1 64 64 ILE CG1 C 13 27.573 0.3 . 1 . . . . 182 ILE CG1 . 17087 1 715 . 1 1 64 64 ILE CG2 C 13 18.606 0.3 . 1 . . . . 182 ILE CG2 . 17087 1 716 . 1 1 64 64 ILE N N 15 118.397 0.3 . 1 . . . . 182 ILE N . 17087 1 717 . 1 1 65 65 THR H H 1 8.184 0.020 . 1 . . . . 183 THR H . 17087 1 718 . 1 1 65 65 THR HA H 1 4.056 0.020 . 1 . . . . 183 THR HA . 17087 1 719 . 1 1 65 65 THR HB H 1 4.490 0.020 . 1 . . . . 183 THR HB . 17087 1 720 . 1 1 65 65 THR HG1 H 1 6.331 0.020 . 1 . . . . 183 THR HG1 . 17087 1 721 . 1 1 65 65 THR HG21 H 1 1.498 0.020 . 1 . . . . 183 THR HG2 . 17087 1 722 . 1 1 65 65 THR HG22 H 1 1.498 0.020 . 1 . . . . 183 THR HG2 . 17087 1 723 . 1 1 65 65 THR HG23 H 1 1.498 0.020 . 1 . . . . 183 THR HG2 . 17087 1 724 . 1 1 65 65 THR CA C 13 68.773 0.3 . 1 . . . . 183 THR CA . 17087 1 725 . 1 1 65 65 THR CB C 13 68.141 0.3 . 1 . . . . 183 THR CB . 17087 1 726 . 1 1 65 65 THR CG2 C 13 22.228 0.3 . 1 . . . . 183 THR CG2 . 17087 1 727 . 1 1 65 65 THR N N 15 118.779 0.3 . 1 . . . . 183 THR N . 17087 1 728 . 1 1 66 66 ILE H H 1 8.565 0.020 . 1 . . . . 184 ILE H . 17087 1 729 . 1 1 66 66 ILE HA H 1 3.733 0.020 . 1 . . . . 184 ILE HA . 17087 1 730 . 1 1 66 66 ILE HB H 1 2.112 0.020 . 1 . . . . 184 ILE HB . 17087 1 731 . 1 1 66 66 ILE HD11 H 1 0.786 0.020 . 1 . . . . 184 ILE HD1 . 17087 1 732 . 1 1 66 66 ILE HD12 H 1 0.786 0.020 . 1 . . . . 184 ILE HD1 . 17087 1 733 . 1 1 66 66 ILE HD13 H 1 0.786 0.020 . 1 . . . . 184 ILE HD1 . 17087 1 734 . 1 1 66 66 ILE HG12 H 1 1.806 0.020 . 2 . . . . 184 ILE HG12 . 17087 1 735 . 1 1 66 66 ILE HG13 H 1 1.276 0.020 . 2 . . . . 184 ILE HG13 . 17087 1 736 . 1 1 66 66 ILE HG21 H 1 0.895 0.020 . 1 . . . . 184 ILE HG2 . 17087 1 737 . 1 1 66 66 ILE HG22 H 1 0.895 0.020 . 1 . . . . 184 ILE HG2 . 17087 1 738 . 1 1 66 66 ILE HG23 H 1 0.895 0.020 . 1 . . . . 184 ILE HG2 . 17087 1 739 . 1 1 66 66 ILE CA C 13 65.448 0.3 . 1 . . . . 184 ILE CA . 17087 1 740 . 1 1 66 66 ILE CB C 13 36.547 0.3 . 1 . . . . 184 ILE CB . 17087 1 741 . 1 1 66 66 ILE CD1 C 13 12.696 0.3 . 1 . . . . 184 ILE CD1 . 17087 1 742 . 1 1 66 66 ILE CG1 C 13 29.578 0.3 . 1 . . . . 184 ILE CG1 . 17087 1 743 . 1 1 66 66 ILE CG2 C 13 16.802 0.3 . 1 . . . . 184 ILE CG2 . 17087 1 744 . 1 1 66 66 ILE N N 15 120.889 0.3 . 1 . . . . 184 ILE N . 17087 1 745 . 1 1 67 67 LYS H H 1 8.014 0.020 . 1 . . . . 185 LYS H . 17087 1 746 . 1 1 67 67 LYS HA H 1 4.054 0.020 . 1 . . . . 185 LYS HA . 17087 1 747 . 1 1 67 67 LYS HB2 H 1 1.865 0.020 . 1 . . . . 185 LYS HB2 . 17087 1 748 . 1 1 67 67 LYS HB3 H 1 1.865 0.020 . 1 . . . . 185 LYS HB3 . 17087 1 749 . 1 1 67 67 LYS HD2 H 1 1.594 0.020 . 1 . . . . 185 LYS HD2 . 17087 1 750 . 1 1 67 67 LYS HD3 H 1 1.594 0.020 . 1 . . . . 185 LYS HD3 . 17087 1 751 . 1 1 67 67 LYS HE2 H 1 2.903 0.020 . 1 . . . . 185 LYS HE2 . 17087 1 752 . 1 1 67 67 LYS HE3 H 1 2.903 0.020 . 1 . . . . 185 LYS HE3 . 17087 1 753 . 1 1 67 67 LYS HG2 H 1 1.486 0.020 . 2 . . . . 185 LYS HG2 . 17087 1 754 . 1 1 67 67 LYS HG3 H 1 1.378 0.020 . 2 . . . . 185 LYS HG3 . 17087 1 755 . 1 1 67 67 LYS CA C 13 59.946 0.3 . 1 . . . . 185 LYS CA . 17087 1 756 . 1 1 67 67 LYS CB C 13 32.239 0.3 . 1 . . . . 185 LYS CB . 17087 1 757 . 1 1 67 67 LYS CD C 13 29.091 0.3 . 1 . . . . 185 LYS CD . 17087 1 758 . 1 1 67 67 LYS CE C 13 41.889 0.3 . 1 . . . . 185 LYS CE . 17087 1 759 . 1 1 67 67 LYS CG C 13 24.976 0.3 . 1 . . . . 185 LYS CG . 17087 1 760 . 1 1 67 67 LYS N N 15 122.622 0.3 . 1 . . . . 185 LYS N . 17087 1 761 . 1 1 68 68 GLN H H 1 8.336 0.020 . 1 . . . . 186 GLN H . 17087 1 762 . 1 1 68 68 GLN HA H 1 4.022 0.020 . 1 . . . . 186 GLN HA . 17087 1 763 . 1 1 68 68 GLN HB2 H 1 1.987 0.020 . 2 . . . . 186 GLN HB2 . 17087 1 764 . 1 1 68 68 GLN HB3 H 1 1.880 0.020 . 2 . . . . 186 GLN HB3 . 17087 1 765 . 1 1 68 68 GLN HE21 H 1 6.762 0.020 . 1 . . . . 186 GLN HE21 . 17087 1 766 . 1 1 68 68 GLN HE22 H 1 6.740 0.020 . 1 . . . . 186 GLN HE22 . 17087 1 767 . 1 1 68 68 GLN HG2 H 1 2.083 0.020 . 2 . . . . 186 GLN HG2 . 17087 1 768 . 1 1 68 68 GLN HG3 H 1 1.512 0.020 . 2 . . . . 186 GLN HG3 . 17087 1 769 . 1 1 68 68 GLN CA C 13 57.437 0.3 . 1 . . . . 186 GLN CA . 17087 1 770 . 1 1 68 68 GLN CB C 13 28.167 0.3 . 1 . . . . 186 GLN CB . 17087 1 771 . 1 1 68 68 GLN CG C 13 33.400 0.3 . 1 . . . . 186 GLN CG . 17087 1 772 . 1 1 68 68 GLN N N 15 116.185 0.3 . 1 . . . . 186 GLN N . 17087 1 773 . 1 1 68 68 GLN NE2 N 15 110.226 0.3 . 1 . . . . 186 GLN NE2 . 17087 1 774 . 1 1 69 69 HIS H H 1 8.063 0.020 . 1 . . . . 187 HIS H . 17087 1 775 . 1 1 69 69 HIS HA H 1 4.603 0.020 . 1 . . . . 187 HIS HA . 17087 1 776 . 1 1 69 69 HIS HB2 H 1 3.359 0.020 . 2 . . . . 187 HIS HB2 . 17087 1 777 . 1 1 69 69 HIS HB3 H 1 3.305 0.020 . 2 . . . . 187 HIS HB3 . 17087 1 778 . 1 1 69 69 HIS HD2 H 1 7.305 0.020 . 1 . . . . 187 HIS HD2 . 17087 1 779 . 1 1 69 69 HIS HE1 H 1 8.203 0.020 . 1 . . . . 187 HIS HE1 . 17087 1 780 . 1 1 69 69 HIS CA C 13 58.415 0.3 . 1 . . . . 187 HIS CA . 17087 1 781 . 1 1 69 69 HIS CB C 13 29.882 0.3 . 1 . . . . 187 HIS CB . 17087 1 782 . 1 1 69 69 HIS CD2 C 13 119.187 0.3 . 1 . . . . 187 HIS CD2 . 17087 1 783 . 1 1 69 69 HIS CE1 C 13 137.900 0.3 . 1 . . . . 187 HIS CE1 . 17087 1 784 . 1 1 69 69 HIS N N 15 117.620 0.3 . 1 . . . . 187 HIS N . 17087 1 785 . 1 1 70 70 THR H H 1 8.192 0.020 . 1 . . . . 188 THR H . 17087 1 786 . 1 1 70 70 THR HA H 1 4.234 0.020 . 1 . . . . 188 THR HA . 17087 1 787 . 1 1 70 70 THR HB H 1 4.408 0.020 . 1 . . . . 188 THR HB . 17087 1 788 . 1 1 70 70 THR HG21 H 1 1.240 0.020 . 1 . . . . 188 THR HG2 . 17087 1 789 . 1 1 70 70 THR HG22 H 1 1.240 0.020 . 1 . . . . 188 THR HG2 . 17087 1 790 . 1 1 70 70 THR HG23 H 1 1.240 0.020 . 1 . . . . 188 THR HG2 . 17087 1 791 . 1 1 70 70 THR CA C 13 64.707 0.3 . 1 . . . . 188 THR CA . 17087 1 792 . 1 1 70 70 THR CB C 13 69.301 0.3 . 1 . . . . 188 THR CB . 17087 1 793 . 1 1 70 70 THR CG2 C 13 21.479 0.3 . 1 . . . . 188 THR CG2 . 17087 1 794 . 1 1 70 70 THR N N 15 114.041 0.3 . 1 . . . . 188 THR N . 17087 1 795 . 1 1 71 71 VAL H H 1 7.999 0.020 . 1 . . . . 189 VAL H . 17087 1 796 . 1 1 71 71 VAL HA H 1 4.027 0.020 . 1 . . . . 189 VAL HA . 17087 1 797 . 1 1 71 71 VAL HB H 1 2.200 0.020 . 1 . . . . 189 VAL HB . 17087 1 798 . 1 1 71 71 VAL HG11 H 1 0.950 0.020 . 2 . . . . 189 VAL HG1 . 17087 1 799 . 1 1 71 71 VAL HG12 H 1 0.950 0.020 . 2 . . . . 189 VAL HG1 . 17087 1 800 . 1 1 71 71 VAL HG13 H 1 0.950 0.020 . 2 . . . . 189 VAL HG1 . 17087 1 801 . 1 1 71 71 VAL HG21 H 1 1.010 0.020 . 2 . . . . 189 VAL HG2 . 17087 1 802 . 1 1 71 71 VAL HG22 H 1 1.010 0.020 . 2 . . . . 189 VAL HG2 . 17087 1 803 . 1 1 71 71 VAL HG23 H 1 1.010 0.020 . 2 . . . . 189 VAL HG2 . 17087 1 804 . 1 1 71 71 VAL CA C 13 64.580 0.3 . 1 . . . . 189 VAL CA . 17087 1 805 . 1 1 71 71 VAL CB C 13 32.084 0.3 . 1 . . . . 189 VAL CB . 17087 1 806 . 1 1 71 71 VAL CG1 C 13 21.022 0.3 . 1 . . . . 189 VAL CG1 . 17087 1 807 . 1 1 71 71 VAL CG2 C 13 21.334 0.3 . 1 . . . . 189 VAL CG2 . 17087 1 808 . 1 1 71 71 VAL N N 15 121.925 0.3 . 1 . . . . 189 VAL N . 17087 1 809 . 1 1 72 72 THR H H 1 8.102 0.020 . 1 . . . . 190 THR H . 17087 1 810 . 1 1 72 72 THR HA H 1 4.261 0.020 . 1 . . . . 190 THR HA . 17087 1 811 . 1 1 72 72 THR HB H 1 4.270 0.020 . 1 . . . . 190 THR HB . 17087 1 812 . 1 1 72 72 THR HG21 H 1 1.257 0.020 . 1 . . . . 190 THR HG2 . 17087 1 813 . 1 1 72 72 THR HG22 H 1 1.257 0.020 . 1 . . . . 190 THR HG2 . 17087 1 814 . 1 1 72 72 THR HG23 H 1 1.257 0.020 . 1 . . . . 190 THR HG2 . 17087 1 815 . 1 1 72 72 THR CA C 13 63.626 0.3 . 1 . . . . 190 THR CA . 17087 1 816 . 1 1 72 72 THR CB C 13 69.351 0.3 . 1 . . . . 190 THR CB . 17087 1 817 . 1 1 72 72 THR CG2 C 13 21.639 0.3 . 1 . . . . 190 THR CG2 . 17087 1 818 . 1 1 72 72 THR N N 15 115.383 0.3 . 1 . . . . 190 THR N . 17087 1 819 . 1 1 73 73 THR H H 1 8.041 0.020 . 1 . . . . 191 THR H . 17087 1 820 . 1 1 73 73 THR HA H 1 4.255 0.020 . 1 . . . . 191 THR HA . 17087 1 821 . 1 1 73 73 THR HB H 1 4.187 0.020 . 1 . . . . 191 THR HB . 17087 1 822 . 1 1 73 73 THR HG21 H 1 1.047 0.020 . 1 . . . . 191 THR HG2 . 17087 1 823 . 1 1 73 73 THR HG22 H 1 1.047 0.020 . 1 . . . . 191 THR HG2 . 17087 1 824 . 1 1 73 73 THR HG23 H 1 1.047 0.020 . 1 . . . . 191 THR HG2 . 17087 1 825 . 1 1 73 73 THR CA C 13 63.487 0.3 . 1 . . . . 191 THR CA . 17087 1 826 . 1 1 73 73 THR CB C 13 69.183 0.3 . 1 . . . . 191 THR CB . 17087 1 827 . 1 1 73 73 THR CG2 C 13 21.422 0.3 . 1 . . . . 191 THR CG2 . 17087 1 828 . 1 1 73 73 THR N N 15 115.087 0.3 . 1 . . . . 191 THR N . 17087 1 829 . 1 1 74 74 THR H H 1 8.212 0.020 . 1 . . . . 192 THR H . 17087 1 830 . 1 1 74 74 THR HA H 1 4.387 0.020 . 1 . . . . 192 THR HA . 17087 1 831 . 1 1 74 74 THR HB H 1 4.363 0.020 . 1 . . . . 192 THR HB . 17087 1 832 . 1 1 74 74 THR HG21 H 1 1.268 0.020 . 1 . . . . 192 THR HG2 . 17087 1 833 . 1 1 74 74 THR HG22 H 1 1.268 0.020 . 1 . . . . 192 THR HG2 . 17087 1 834 . 1 1 74 74 THR HG23 H 1 1.268 0.020 . 1 . . . . 192 THR HG2 . 17087 1 835 . 1 1 74 74 THR CA C 13 63.653 0.3 . 1 . . . . 192 THR CA . 17087 1 836 . 1 1 74 74 THR CB C 13 69.270 0.3 . 1 . . . . 192 THR CB . 17087 1 837 . 1 1 74 74 THR CG2 C 13 21.524 0.3 . 1 . . . . 192 THR CG2 . 17087 1 838 . 1 1 74 74 THR N N 15 116.363 0.3 . 1 . . . . 192 THR N . 17087 1 839 . 1 1 75 75 THR H H 1 8.029 0.020 . 1 . . . . 193 THR H . 17087 1 840 . 1 1 75 75 THR HA H 1 4.263 0.020 . 1 . . . . 193 THR HA . 17087 1 841 . 1 1 75 75 THR HB H 1 4.276 0.020 . 1 . . . . 193 THR HB . 17087 1 842 . 1 1 75 75 THR HG21 H 1 1.256 0.020 . 1 . . . . 193 THR HG2 . 17087 1 843 . 1 1 75 75 THR HG22 H 1 1.256 0.020 . 1 . . . . 193 THR HG2 . 17087 1 844 . 1 1 75 75 THR HG23 H 1 1.256 0.020 . 1 . . . . 193 THR HG2 . 17087 1 845 . 1 1 75 75 THR CA C 13 63.642 0.3 . 1 . . . . 193 THR CA . 17087 1 846 . 1 1 75 75 THR CB C 13 69.250 0.3 . 1 . . . . 193 THR CB . 17087 1 847 . 1 1 75 75 THR CG2 C 13 21.631 0.3 . 1 . . . . 193 THR CG2 . 17087 1 848 . 1 1 75 75 THR N N 15 116.250 0.3 . 1 . . . . 193 THR N . 17087 1 849 . 1 1 76 76 LYS H H 1 7.989 0.020 . 1 . . . . 194 LYS H . 17087 1 850 . 1 1 76 76 LYS HA H 1 4.327 0.020 . 1 . . . . 194 LYS HA . 17087 1 851 . 1 1 76 76 LYS HB2 H 1 1.929 0.020 . 2 . . . . 194 LYS HB2 . 17087 1 852 . 1 1 76 76 LYS HB3 H 1 1.815 0.020 . 2 . . . . 194 LYS HB3 . 17087 1 853 . 1 1 76 76 LYS HD2 H 1 1.664 0.020 . 1 . . . . 194 LYS HD2 . 17087 1 854 . 1 1 76 76 LYS HD3 H 1 1.664 0.020 . 1 . . . . 194 LYS HD3 . 17087 1 855 . 1 1 76 76 LYS HE2 H 1 2.968 0.020 . 1 . . . . 194 LYS HE2 . 17087 1 856 . 1 1 76 76 LYS HE3 H 1 2.968 0.020 . 1 . . . . 194 LYS HE3 . 17087 1 857 . 1 1 76 76 LYS HG2 H 1 1.494 0.020 . 2 . . . . 194 LYS HG2 . 17087 1 858 . 1 1 76 76 LYS HG3 H 1 1.432 0.020 . 2 . . . . 194 LYS HG3 . 17087 1 859 . 1 1 76 76 LYS CA C 13 56.574 0.3 . 1 . . . . 194 LYS CA . 17087 1 860 . 1 1 76 76 LYS CB C 13 32.559 0.3 . 1 . . . . 194 LYS CB . 17087 1 861 . 1 1 76 76 LYS CD C 13 29.067 0.3 . 1 . . . . 194 LYS CD . 17087 1 862 . 1 1 76 76 LYS CE C 13 41.998 0.3 . 1 . . . . 194 LYS CE . 17087 1 863 . 1 1 76 76 LYS CG C 13 24.747 0.3 . 1 . . . . 194 LYS CG . 17087 1 864 . 1 1 76 76 LYS N N 15 121.520 0.3 . 1 . . . . 194 LYS N . 17087 1 865 . 1 1 77 77 GLY H H 1 8.204 0.020 . 1 . . . . 195 GLY H . 17087 1 866 . 1 1 77 77 GLY HA2 H 1 4.039 0.020 . 1 . . . . 195 GLY HA2 . 17087 1 867 . 1 1 77 77 GLY CA C 13 45.427 0.3 . 1 . . . . 195 GLY CA . 17087 1 868 . 1 1 77 77 GLY N N 15 109.345 0.3 . 1 . . . . 195 GLY N . 17087 1 869 . 1 1 78 78 GLU H H 1 7.855 0.020 . 1 . . . . 196 GLU H . 17087 1 870 . 1 1 78 78 GLU HA H 1 4.253 0.020 . 1 . . . . 196 GLU HA . 17087 1 871 . 1 1 78 78 GLU HB2 H 1 1.731 0.020 . 1 . . . . 196 GLU HB2 . 17087 1 872 . 1 1 78 78 GLU HB3 H 1 1.731 0.020 . 1 . . . . 196 GLU HB3 . 17087 1 873 . 1 1 78 78 GLU HG2 H 1 2.136 0.020 . 2 . . . . 196 GLU HG2 . 17087 1 874 . 1 1 78 78 GLU HG3 H 1 2.154 0.020 . 2 . . . . 196 GLU HG3 . 17087 1 875 . 1 1 78 78 GLU CA C 13 55.762 0.3 . 1 . . . . 196 GLU CA . 17087 1 876 . 1 1 78 78 GLU CB C 13 30.346 0.3 . 1 . . . . 196 GLU CB . 17087 1 877 . 1 1 78 78 GLU CG C 13 35.347 0.3 . 1 . . . . 196 GLU CG . 17087 1 878 . 1 1 78 78 GLU N N 15 120.045 0.3 . 1 . . . . 196 GLU N . 17087 1 879 . 1 1 79 79 ASN H H 1 8.527 0.020 . 1 . . . . 197 ASN H . 17087 1 880 . 1 1 79 79 ASN HA H 1 4.664 0.020 . 1 . . . . 197 ASN HA . 17087 1 881 . 1 1 79 79 ASN HB2 H 1 2.729 0.020 . 2 . . . . 197 ASN HB2 . 17087 1 882 . 1 1 79 79 ASN HB3 H 1 2.645 0.020 . 2 . . . . 197 ASN HB3 . 17087 1 883 . 1 1 79 79 ASN HD21 H 1 7.591 0.020 . 1 . . . . 197 ASN HD21 . 17087 1 884 . 1 1 79 79 ASN HD22 H 1 6.881 0.020 . 1 . . . . 197 ASN HD22 . 17087 1 885 . 1 1 79 79 ASN CA C 13 52.910 0.3 . 1 . . . . 197 ASN CA . 17087 1 886 . 1 1 79 79 ASN CB C 13 39.726 0.3 . 1 . . . . 197 ASN CB . 17087 1 887 . 1 1 79 79 ASN N N 15 119.997 0.3 . 1 . . . . 197 ASN N . 17087 1 888 . 1 1 79 79 ASN ND2 N 15 113.169 0.3 . 1 . . . . 197 ASN ND2 . 17087 1 889 . 1 1 80 80 PHE H H 1 8.650 0.020 . 1 . . . . 198 PHE H . 17087 1 890 . 1 1 80 80 PHE HA H 1 5.248 0.020 . 1 . . . . 198 PHE HA . 17087 1 891 . 1 1 80 80 PHE HB2 H 1 3.011 0.020 . 2 . . . . 198 PHE HB2 . 17087 1 892 . 1 1 80 80 PHE HB3 H 1 3.189 0.020 . 2 . . . . 198 PHE HB3 . 17087 1 893 . 1 1 80 80 PHE HD1 H 1 7.349 0.020 . 1 . . . . 198 PHE HD1 . 17087 1 894 . 1 1 80 80 PHE HD2 H 1 7.349 0.020 . 1 . . . . 198 PHE HD2 . 17087 1 895 . 1 1 80 80 PHE HE1 H 1 7.440 0.020 . 1 . . . . 198 PHE HE1 . 17087 1 896 . 1 1 80 80 PHE HE2 H 1 7.440 0.020 . 1 . . . . 198 PHE HE2 . 17087 1 897 . 1 1 80 80 PHE CA C 13 56.725 0.3 . 1 . . . . 198 PHE CA . 17087 1 898 . 1 1 80 80 PHE CB C 13 39.925 0.3 . 1 . . . . 198 PHE CB . 17087 1 899 . 1 1 80 80 PHE CD1 C 13 131.467 0.3 . 1 . . . . 198 PHE CD1 . 17087 1 900 . 1 1 80 80 PHE CE1 C 13 129.919 0.3 . 1 . . . . 198 PHE CE1 . 17087 1 901 . 1 1 80 80 PHE N N 15 122.212 0.3 . 1 . . . . 198 PHE N . 17087 1 902 . 1 1 81 81 THR H H 1 9.501 0.020 . 1 . . . . 199 THR H . 17087 1 903 . 1 1 81 81 THR HA H 1 4.617 0.020 . 1 . . . . 199 THR HA . 17087 1 904 . 1 1 81 81 THR HB H 1 4.834 0.020 . 1 . . . . 199 THR HB . 17087 1 905 . 1 1 81 81 THR HG21 H 1 1.443 0.020 . 1 . . . . 199 THR HG2 . 17087 1 906 . 1 1 81 81 THR HG22 H 1 1.443 0.020 . 1 . . . . 199 THR HG2 . 17087 1 907 . 1 1 81 81 THR HG23 H 1 1.443 0.020 . 1 . . . . 199 THR HG2 . 17087 1 908 . 1 1 81 81 THR CA C 13 60.630 0.3 . 1 . . . . 199 THR CA . 17087 1 909 . 1 1 81 81 THR CB C 13 72.661 0.3 . 1 . . . . 199 THR CB . 17087 1 910 . 1 1 81 81 THR CG2 C 13 21.676 0.3 . 1 . . . . 199 THR CG2 . 17087 1 911 . 1 1 81 81 THR N N 15 116.404 0.3 . 1 . . . . 199 THR N . 17087 1 912 . 1 1 82 82 GLU H H 1 9.150 0.020 . 1 . . . . 200 GLU H . 17087 1 913 . 1 1 82 82 GLU HA H 1 4.096 0.020 . 1 . . . . 200 GLU HA . 17087 1 914 . 1 1 82 82 GLU HB2 H 1 2.140 0.020 . 2 . . . . 200 GLU HB2 . 17087 1 915 . 1 1 82 82 GLU HB3 H 1 2.079 0.020 . 2 . . . . 200 GLU HB3 . 17087 1 916 . 1 1 82 82 GLU HG2 H 1 2.440 0.020 . 2 . . . . 200 GLU HG2 . 17087 1 917 . 1 1 82 82 GLU HG3 H 1 2.384 0.020 . 2 . . . . 200 GLU HG3 . 17087 1 918 . 1 1 82 82 GLU CA C 13 59.694 0.3 . 1 . . . . 200 GLU CA . 17087 1 919 . 1 1 82 82 GLU CB C 13 28.655 0.3 . 1 . . . . 200 GLU CB . 17087 1 920 . 1 1 82 82 GLU CG C 13 35.416 0.3 . 1 . . . . 200 GLU CG . 17087 1 921 . 1 1 82 82 GLU N N 15 119.905 0.3 . 1 . . . . 200 GLU N . 17087 1 922 . 1 1 83 83 THR H H 1 7.988 0.020 . 1 . . . . 201 THR H . 17087 1 923 . 1 1 83 83 THR HA H 1 3.817 0.020 . 1 . . . . 201 THR HA . 17087 1 924 . 1 1 83 83 THR HB H 1 3.764 0.020 . 1 . . . . 201 THR HB . 17087 1 925 . 1 1 83 83 THR HG21 H 1 0.760 0.020 . 1 . . . . 201 THR HG2 . 17087 1 926 . 1 1 83 83 THR HG22 H 1 0.760 0.020 . 1 . . . . 201 THR HG2 . 17087 1 927 . 1 1 83 83 THR HG23 H 1 0.760 0.020 . 1 . . . . 201 THR HG2 . 17087 1 928 . 1 1 83 83 THR CA C 13 66.861 0.3 . 1 . . . . 201 THR CA . 17087 1 929 . 1 1 83 83 THR CB C 13 68.622 0.3 . 1 . . . . 201 THR CB . 17087 1 930 . 1 1 83 83 THR CG2 C 13 21.328 0.3 . 1 . . . . 201 THR CG2 . 17087 1 931 . 1 1 83 83 THR N N 15 116.462 0.3 . 1 . . . . 201 THR N . 17087 1 932 . 1 1 84 84 ASP H H 1 7.518 0.020 . 1 . . . . 202 ASP H . 17087 1 933 . 1 1 84 84 ASP HA H 1 4.552 0.020 . 1 . . . . 202 ASP HA . 17087 1 934 . 1 1 84 84 ASP HB2 H 1 3.235 0.020 . 2 . . . . 202 ASP HB2 . 17087 1 935 . 1 1 84 84 ASP HB3 H 1 2.475 0.020 . 2 . . . . 202 ASP HB3 . 17087 1 936 . 1 1 84 84 ASP CA C 13 57.930 0.3 . 1 . . . . 202 ASP CA . 17087 1 937 . 1 1 84 84 ASP CB C 13 41.201 0.3 . 1 . . . . 202 ASP CB . 17087 1 938 . 1 1 84 84 ASP N N 15 120.256 0.3 . 1 . . . . 202 ASP N . 17087 1 939 . 1 1 85 85 VAL H H 1 8.254 0.020 . 1 . . . . 203 VAL H . 17087 1 940 . 1 1 85 85 VAL HA H 1 3.359 0.020 . 1 . . . . 203 VAL HA . 17087 1 941 . 1 1 85 85 VAL HB H 1 2.142 0.020 . 1 . . . . 203 VAL HB . 17087 1 942 . 1 1 85 85 VAL HG11 H 1 1.027 0.020 . 2 . . . . 203 VAL HG1 . 17087 1 943 . 1 1 85 85 VAL HG12 H 1 1.027 0.020 . 2 . . . . 203 VAL HG1 . 17087 1 944 . 1 1 85 85 VAL HG13 H 1 1.027 0.020 . 2 . . . . 203 VAL HG1 . 17087 1 945 . 1 1 85 85 VAL HG21 H 1 0.916 0.020 . 2 . . . . 203 VAL HG2 . 17087 1 946 . 1 1 85 85 VAL HG22 H 1 0.916 0.020 . 2 . . . . 203 VAL HG2 . 17087 1 947 . 1 1 85 85 VAL HG23 H 1 0.916 0.020 . 2 . . . . 203 VAL HG2 . 17087 1 948 . 1 1 85 85 VAL CA C 13 67.599 0.3 . 1 . . . . 203 VAL CA . 17087 1 949 . 1 1 85 85 VAL CB C 13 31.549 0.3 . 1 . . . . 203 VAL CB . 17087 1 950 . 1 1 85 85 VAL CG1 C 13 22.747 0.3 . 1 . . . . 203 VAL CG1 . 17087 1 951 . 1 1 85 85 VAL CG2 C 13 21.078 0.3 . 1 . . . . 203 VAL CG2 . 17087 1 952 . 1 1 85 85 VAL N N 15 119.798 0.3 . 1 . . . . 203 VAL N . 17087 1 953 . 1 1 86 86 LYS H H 1 7.721 0.020 . 1 . . . . 204 LYS H . 17087 1 954 . 1 1 86 86 LYS HA H 1 4.074 0.020 . 1 . . . . 204 LYS HA . 17087 1 955 . 1 1 86 86 LYS HB2 H 1 1.936 0.020 . 1 . . . . 204 LYS HB2 . 17087 1 956 . 1 1 86 86 LYS HB3 H 1 1.936 0.020 . 1 . . . . 204 LYS HB3 . 17087 1 957 . 1 1 86 86 LYS HD2 H 1 1.687 0.020 . 1 . . . . 204 LYS HD2 . 17087 1 958 . 1 1 86 86 LYS HD3 H 1 1.687 0.020 . 1 . . . . 204 LYS HD3 . 17087 1 959 . 1 1 86 86 LYS HE2 H 1 2.916 0.020 . 1 . . . . 204 LYS HE2 . 17087 1 960 . 1 1 86 86 LYS HE3 H 1 2.916 0.020 . 1 . . . . 204 LYS HE3 . 17087 1 961 . 1 1 86 86 LYS HG2 H 1 1.627 0.020 . 2 . . . . 204 LYS HG2 . 17087 1 962 . 1 1 86 86 LYS HG3 H 1 1.433 0.020 . 2 . . . . 204 LYS HG3 . 17087 1 963 . 1 1 86 86 LYS CA C 13 59.331 0.3 . 1 . . . . 204 LYS CA . 17087 1 964 . 1 1 86 86 LYS CB C 13 32.052 0.3 . 1 . . . . 204 LYS CB . 17087 1 965 . 1 1 86 86 LYS CD C 13 29.234 0.3 . 1 . . . . 204 LYS CD . 17087 1 966 . 1 1 86 86 LYS CE C 13 41.895 0.3 . 1 . . . . 204 LYS CE . 17087 1 967 . 1 1 86 86 LYS CG C 13 25.108 0.3 . 1 . . . . 204 LYS CG . 17087 1 968 . 1 1 86 86 LYS N N 15 119.296 0.3 . 1 . . . . 204 LYS N . 17087 1 969 . 1 1 87 87 MET H H 1 8.246 0.020 . 1 . . . . 205 MET H . 17087 1 970 . 1 1 87 87 MET HA H 1 4.139 0.020 . 1 . . . . 205 MET HA . 17087 1 971 . 1 1 87 87 MET HB2 H 1 2.312 0.020 . 2 . . . . 205 MET HB2 . 17087 1 972 . 1 1 87 87 MET HB3 H 1 1.900 0.020 . 2 . . . . 205 MET HB3 . 17087 1 973 . 1 1 87 87 MET HE1 H 1 1.492 0.020 . 1 . . . . 205 MET HE . 17087 1 974 . 1 1 87 87 MET HE2 H 1 1.492 0.020 . 1 . . . . 205 MET HE . 17087 1 975 . 1 1 87 87 MET HE3 H 1 1.492 0.020 . 1 . . . . 205 MET HE . 17087 1 976 . 1 1 87 87 MET HG2 H 1 3.012 0.020 . 2 . . . . 205 MET HG2 . 17087 1 977 . 1 1 87 87 MET HG3 H 1 2.339 0.020 . 2 . . . . 205 MET HG3 . 17087 1 978 . 1 1 87 87 MET CA C 13 59.686 0.3 . 1 . . . . 205 MET CA . 17087 1 979 . 1 1 87 87 MET CB C 13 32.791 0.3 . 1 . . . . 205 MET CB . 17087 1 980 . 1 1 87 87 MET CE C 13 18.084 0.3 . 1 . . . . 205 MET CE . 17087 1 981 . 1 1 87 87 MET CG C 13 33.903 0.3 . 1 . . . . 205 MET CG . 17087 1 982 . 1 1 87 87 MET N N 15 118.764 0.3 . 1 . . . . 205 MET N . 17087 1 983 . 1 1 88 88 MET H H 1 8.746 0.020 . 1 . . . . 206 MET H . 17087 1 984 . 1 1 88 88 MET HA H 1 3.546 0.020 . 1 . . . . 206 MET HA . 17087 1 985 . 1 1 88 88 MET HB2 H 1 1.899 0.020 . 2 . . . . 206 MET HB2 . 17087 1 986 . 1 1 88 88 MET HB3 H 1 1.792 0.020 . 2 . . . . 206 MET HB3 . 17087 1 987 . 1 1 88 88 MET HE1 H 1 1.531 0.020 . 1 . . . . 206 MET HE . 17087 1 988 . 1 1 88 88 MET HE2 H 1 1.531 0.020 . 1 . . . . 206 MET HE . 17087 1 989 . 1 1 88 88 MET HE3 H 1 1.531 0.020 . 1 . . . . 206 MET HE . 17087 1 990 . 1 1 88 88 MET HG2 H 1 2.012 0.020 . 2 . . . . 206 MET HG2 . 17087 1 991 . 1 1 88 88 MET HG3 H 1 1.873 0.020 . 2 . . . . 206 MET HG3 . 17087 1 992 . 1 1 88 88 MET CA C 13 59.510 0.3 . 1 . . . . 206 MET CA . 17087 1 993 . 1 1 88 88 MET CB C 13 33.108 0.3 . 1 . . . . 206 MET CB . 17087 1 994 . 1 1 88 88 MET CE C 13 16.253 0.3 . 1 . . . . 206 MET CE . 17087 1 995 . 1 1 88 88 MET CG C 13 32.441 0.3 . 1 . . . . 206 MET CG . 17087 1 996 . 1 1 88 88 MET N N 15 118.371 0.3 . 1 . . . . 206 MET N . 17087 1 997 . 1 1 89 89 GLU H H 1 8.377 0.020 . 1 . . . . 207 GLU H . 17087 1 998 . 1 1 89 89 GLU HA H 1 3.689 0.020 . 1 . . . . 207 GLU HA . 17087 1 999 . 1 1 89 89 GLU HB2 H 1 2.220 0.020 . 2 . . . . 207 GLU HB2 . 17087 1 1000 . 1 1 89 89 GLU HB3 H 1 2.089 0.020 . 2 . . . . 207 GLU HB3 . 17087 1 1001 . 1 1 89 89 GLU HG2 H 1 2.559 0.020 . 2 . . . . 207 GLU HG2 . 17087 1 1002 . 1 1 89 89 GLU HG3 H 1 2.239 0.020 . 2 . . . . 207 GLU HG3 . 17087 1 1003 . 1 1 89 89 GLU CA C 13 60.493 0.3 . 1 . . . . 207 GLU CA . 17087 1 1004 . 1 1 89 89 GLU CB C 13 28.020 0.3 . 1 . . . . 207 GLU CB . 17087 1 1005 . 1 1 89 89 GLU CG C 13 34.942 0.3 . 1 . . . . 207 GLU CG . 17087 1 1006 . 1 1 89 89 GLU N N 15 118.272 0.3 . 1 . . . . 207 GLU N . 17087 1 1007 . 1 1 90 90 ARG H H 1 7.347 0.020 . 1 . . . . 208 ARG H . 17087 1 1008 . 1 1 90 90 ARG HA H 1 4.160 0.020 . 1 . . . . 208 ARG HA . 17087 1 1009 . 1 1 90 90 ARG HB2 H 1 1.904 0.020 . 2 . . . . 208 ARG HB2 . 17087 1 1010 . 1 1 90 90 ARG HB3 H 1 2.075 0.020 . 2 . . . . 208 ARG HB3 . 17087 1 1011 . 1 1 90 90 ARG HD2 H 1 3.214 0.020 . 2 . . . . 208 ARG HD2 . 17087 1 1012 . 1 1 90 90 ARG HD3 H 1 3.133 0.020 . 2 . . . . 208 ARG HD3 . 17087 1 1013 . 1 1 90 90 ARG HE H 1 7.315 0.020 . 1 . . . . 208 ARG HE . 17087 1 1014 . 1 1 90 90 ARG HG2 H 1 1.792 0.020 . 2 . . . . 208 ARG HG2 . 17087 1 1015 . 1 1 90 90 ARG HG3 H 1 1.741 0.020 . 2 . . . . 208 ARG HG3 . 17087 1 1016 . 1 1 90 90 ARG CA C 13 58.328 0.3 . 1 . . . . 208 ARG CA . 17087 1 1017 . 1 1 90 90 ARG CB C 13 29.732 0.3 . 1 . . . . 208 ARG CB . 17087 1 1018 . 1 1 90 90 ARG CD C 13 42.371 0.3 . 1 . . . . 208 ARG CD . 17087 1 1019 . 1 1 90 90 ARG CG C 13 26.769 0.3 . 1 . . . . 208 ARG CG . 17087 1 1020 . 1 1 90 90 ARG N N 15 117.076 0.3 . 1 . . . . 208 ARG N . 17087 1 1021 . 1 1 90 90 ARG NE N 15 83.224 0.3 . 1 . . . . 208 ARG NE . 17087 1 1022 . 1 1 91 91 VAL H H 1 8.233 0.020 . 1 . . . . 209 VAL H . 17087 1 1023 . 1 1 91 91 VAL HA H 1 3.725 0.020 . 1 . . . . 209 VAL HA . 17087 1 1024 . 1 1 91 91 VAL HB H 1 2.308 0.020 . 1 . . . . 209 VAL HB . 17087 1 1025 . 1 1 91 91 VAL HG11 H 1 1.321 0.020 . 2 . . . . 209 VAL HG1 . 17087 1 1026 . 1 1 91 91 VAL HG12 H 1 1.321 0.020 . 2 . . . . 209 VAL HG1 . 17087 1 1027 . 1 1 91 91 VAL HG13 H 1 1.321 0.020 . 2 . . . . 209 VAL HG1 . 17087 1 1028 . 1 1 91 91 VAL HG21 H 1 1.239 0.020 . 2 . . . . 209 VAL HG2 . 17087 1 1029 . 1 1 91 91 VAL HG22 H 1 1.239 0.020 . 2 . . . . 209 VAL HG2 . 17087 1 1030 . 1 1 91 91 VAL HG23 H 1 1.239 0.020 . 2 . . . . 209 VAL HG2 . 17087 1 1031 . 1 1 91 91 VAL CA C 13 65.985 0.3 . 1 . . . . 209 VAL CA . 17087 1 1032 . 1 1 91 91 VAL CB C 13 32.260 0.3 . 1 . . . . 209 VAL CB . 17087 1 1033 . 1 1 91 91 VAL CG1 C 13 24.112 0.3 . 1 . . . . 209 VAL CG1 . 17087 1 1034 . 1 1 91 91 VAL CG2 C 13 20.969 0.3 . 1 . . . . 209 VAL CG2 . 17087 1 1035 . 1 1 91 91 VAL N N 15 119.393 0.3 . 1 . . . . 209 VAL N . 17087 1 1036 . 1 1 92 92 VAL H H 1 8.943 0.020 . 1 . . . . 210 VAL H . 17087 1 1037 . 1 1 92 92 VAL HA H 1 3.623 0.020 . 1 . . . . 210 VAL HA . 17087 1 1038 . 1 1 92 92 VAL HB H 1 2.262 0.020 . 1 . . . . 210 VAL HB . 17087 1 1039 . 1 1 92 92 VAL HG11 H 1 1.219 0.020 . 2 . . . . 210 VAL HG1 . 17087 1 1040 . 1 1 92 92 VAL HG12 H 1 1.219 0.020 . 2 . . . . 210 VAL HG1 . 17087 1 1041 . 1 1 92 92 VAL HG13 H 1 1.219 0.020 . 2 . . . . 210 VAL HG1 . 17087 1 1042 . 1 1 92 92 VAL HG21 H 1 0.972 0.020 . 2 . . . . 210 VAL HG2 . 17087 1 1043 . 1 1 92 92 VAL HG22 H 1 0.972 0.020 . 2 . . . . 210 VAL HG2 . 17087 1 1044 . 1 1 92 92 VAL HG23 H 1 0.972 0.020 . 2 . . . . 210 VAL HG2 . 17087 1 1045 . 1 1 92 92 VAL CA C 13 66.568 0.3 . 1 . . . . 210 VAL CA . 17087 1 1046 . 1 1 92 92 VAL CB C 13 31.266 0.3 . 1 . . . . 210 VAL CB . 17087 1 1047 . 1 1 92 92 VAL CG1 C 13 24.439 0.3 . 1 . . . . 210 VAL CG1 . 17087 1 1048 . 1 1 92 92 VAL CG2 C 13 24.087 0.3 . 1 . . . . 210 VAL CG2 . 17087 1 1049 . 1 1 92 92 VAL N N 15 120.653 0.3 . 1 . . . . 210 VAL N . 17087 1 1050 . 1 1 93 93 GLU H H 1 8.238 0.020 . 1 . . . . 211 GLU H . 17087 1 1051 . 1 1 93 93 GLU HA H 1 3.608 0.020 . 1 . . . . 211 GLU HA . 17087 1 1052 . 1 1 93 93 GLU HB2 H 1 2.229 0.020 . 2 . . . . 211 GLU HB2 . 17087 1 1053 . 1 1 93 93 GLU HB3 H 1 2.131 0.020 . 2 . . . . 211 GLU HB3 . 17087 1 1054 . 1 1 93 93 GLU HG2 H 1 2.272 0.020 . 2 . . . . 211 GLU HG2 . 17087 1 1055 . 1 1 93 93 GLU HG3 H 1 2.197 0.020 . 2 . . . . 211 GLU HG3 . 17087 1 1056 . 1 1 93 93 GLU CA C 13 61.029 0.3 . 1 . . . . 211 GLU CA . 17087 1 1057 . 1 1 93 93 GLU CB C 13 28.536 0.3 . 1 . . . . 211 GLU CB . 17087 1 1058 . 1 1 93 93 GLU CG C 13 35.291 0.3 . 1 . . . . 211 GLU CG . 17087 1 1059 . 1 1 93 93 GLU N N 15 120.301 0.3 . 1 . . . . 211 GLU N . 17087 1 1060 . 1 1 94 94 GLN H H 1 7.271 0.020 . 1 . . . . 212 GLN H . 17087 1 1061 . 1 1 94 94 GLN HA H 1 4.001 0.020 . 1 . . . . 212 GLN HA . 17087 1 1062 . 1 1 94 94 GLN HB2 H 1 2.156 0.020 . 2 . . . . 212 GLN HB2 . 17087 1 1063 . 1 1 94 94 GLN HB3 H 1 2.131 0.020 . 2 . . . . 212 GLN HB3 . 17087 1 1064 . 1 1 94 94 GLN HE21 H 1 7.444 0.020 . 1 . . . . 212 GLN HE21 . 17087 1 1065 . 1 1 94 94 GLN HE22 H 1 6.827 0.020 . 1 . . . . 212 GLN HE22 . 17087 1 1066 . 1 1 94 94 GLN HG2 H 1 2.467 0.020 . 2 . . . . 212 GLN HG2 . 17087 1 1067 . 1 1 94 94 GLN HG3 H 1 2.398 0.020 . 2 . . . . 212 GLN HG3 . 17087 1 1068 . 1 1 94 94 GLN CA C 13 59.106 0.3 . 1 . . . . 212 GLN CA . 17087 1 1069 . 1 1 94 94 GLN CB C 13 27.883 0.3 . 1 . . . . 212 GLN CB . 17087 1 1070 . 1 1 94 94 GLN CG C 13 33.932 0.3 . 1 . . . . 212 GLN CG . 17087 1 1071 . 1 1 94 94 GLN N N 15 115.606 0.3 . 1 . . . . 212 GLN N . 17087 1 1072 . 1 1 94 94 GLN NE2 N 15 111.867 0.3 . 1 . . . . 212 GLN NE2 . 17087 1 1073 . 1 1 95 95 MET H H 1 8.322 0.020 . 1 . . . . 213 MET H . 17087 1 1074 . 1 1 95 95 MET HA H 1 4.149 0.020 . 1 . . . . 213 MET HA . 17087 1 1075 . 1 1 95 95 MET HB2 H 1 2.207 0.020 . 2 . . . . 213 MET HB2 . 17087 1 1076 . 1 1 95 95 MET HB3 H 1 2.049 0.020 . 2 . . . . 213 MET HB3 . 17087 1 1077 . 1 1 95 95 MET HE1 H 1 1.907 0.020 . 1 . . . . 213 MET HE . 17087 1 1078 . 1 1 95 95 MET HE2 H 1 1.907 0.020 . 1 . . . . 213 MET HE . 17087 1 1079 . 1 1 95 95 MET HE3 H 1 1.907 0.020 . 1 . . . . 213 MET HE . 17087 1 1080 . 1 1 95 95 MET HG2 H 1 2.850 0.020 . 2 . . . . 213 MET HG2 . 17087 1 1081 . 1 1 95 95 MET HG3 H 1 2.490 0.020 . 2 . . . . 213 MET HG3 . 17087 1 1082 . 1 1 95 95 MET CA C 13 59.969 0.3 . 1 . . . . 213 MET CA . 17087 1 1083 . 1 1 95 95 MET CB C 13 34.412 0.3 . 1 . . . . 213 MET CB . 17087 1 1084 . 1 1 95 95 MET CE C 13 16.831 0.3 . 1 . . . . 213 MET CE . 17087 1 1085 . 1 1 95 95 MET CG C 13 32.549 0.3 . 1 . . . . 213 MET CG . 17087 1 1086 . 1 1 95 95 MET N N 15 119.445 0.3 . 1 . . . . 213 MET N . 17087 1 1087 . 1 1 96 96 CYS H H 1 9.212 0.020 . 1 . . . . 214 CYS H . 17087 1 1088 . 1 1 96 96 CYS HA H 1 4.438 0.020 . 1 . . . . 214 CYS HA . 17087 1 1089 . 1 1 96 96 CYS HB2 H 1 3.568 0.020 . 2 . . . . 214 CYS HB2 . 17087 1 1090 . 1 1 96 96 CYS HB3 H 1 2.924 0.020 . 2 . . . . 214 CYS HB3 . 17087 1 1091 . 1 1 96 96 CYS CA C 13 59.759 0.3 . 1 . . . . 214 CYS CA . 17087 1 1092 . 1 1 96 96 CYS CB C 13 41.524 0.3 . 1 . . . . 214 CYS CB . 17087 1 1093 . 1 1 96 96 CYS N N 15 119.183 0.3 . 1 . . . . 214 CYS N . 17087 1 1094 . 1 1 97 97 VAL H H 1 8.329 0.020 . 1 . . . . 215 VAL H . 17087 1 1095 . 1 1 97 97 VAL HA H 1 3.517 0.020 . 1 . . . . 215 VAL HA . 17087 1 1096 . 1 1 97 97 VAL HB H 1 2.322 0.020 . 1 . . . . 215 VAL HB . 17087 1 1097 . 1 1 97 97 VAL HG11 H 1 1.125 0.020 . 2 . . . . 215 VAL HG1 . 17087 1 1098 . 1 1 97 97 VAL HG12 H 1 1.125 0.020 . 2 . . . . 215 VAL HG1 . 17087 1 1099 . 1 1 97 97 VAL HG13 H 1 1.125 0.020 . 2 . . . . 215 VAL HG1 . 17087 1 1100 . 1 1 97 97 VAL HG21 H 1 0.923 0.020 . 2 . . . . 215 VAL HG2 . 17087 1 1101 . 1 1 97 97 VAL HG22 H 1 0.923 0.020 . 2 . . . . 215 VAL HG2 . 17087 1 1102 . 1 1 97 97 VAL HG23 H 1 0.923 0.020 . 2 . . . . 215 VAL HG2 . 17087 1 1103 . 1 1 97 97 VAL CA C 13 67.624 0.3 . 1 . . . . 215 VAL CA . 17087 1 1104 . 1 1 97 97 VAL CB C 13 31.473 0.3 . 1 . . . . 215 VAL CB . 17087 1 1105 . 1 1 97 97 VAL CG1 C 13 23.772 0.3 . 1 . . . . 215 VAL CG1 . 17087 1 1106 . 1 1 97 97 VAL CG2 C 13 21.232 0.3 . 1 . . . . 215 VAL CG2 . 17087 1 1107 . 1 1 97 97 VAL N N 15 123.378 0.3 . 1 . . . . 215 VAL N . 17087 1 1108 . 1 1 98 98 THR H H 1 8.137 0.020 . 1 . . . . 216 THR H . 17087 1 1109 . 1 1 98 98 THR HA H 1 3.896 0.020 . 1 . . . . 216 THR HA . 17087 1 1110 . 1 1 98 98 THR HB H 1 4.304 0.020 . 1 . . . . 216 THR HB . 17087 1 1111 . 1 1 98 98 THR HG21 H 1 1.246 0.020 . 1 . . . . 216 THR HG2 . 17087 1 1112 . 1 1 98 98 THR HG22 H 1 1.246 0.020 . 1 . . . . 216 THR HG2 . 17087 1 1113 . 1 1 98 98 THR HG23 H 1 1.246 0.020 . 1 . . . . 216 THR HG2 . 17087 1 1114 . 1 1 98 98 THR CA C 13 66.960 0.3 . 1 . . . . 216 THR CA . 17087 1 1115 . 1 1 98 98 THR CB C 13 68.230 0.3 . 1 . . . . 216 THR CB . 17087 1 1116 . 1 1 98 98 THR CG2 C 13 22.285 0.3 . 1 . . . . 216 THR CG2 . 17087 1 1117 . 1 1 98 98 THR N N 15 118.267 0.3 . 1 . . . . 216 THR N . 17087 1 1118 . 1 1 99 99 GLN H H 1 8.851 0.020 . 1 . . . . 217 GLN H . 17087 1 1119 . 1 1 99 99 GLN HA H 1 3.619 0.020 . 1 . . . . 217 GLN HA . 17087 1 1120 . 1 1 99 99 GLN HB2 H 1 2.327 0.020 . 2 . . . . 217 GLN HB2 . 17087 1 1121 . 1 1 99 99 GLN HB3 H 1 2.111 0.020 . 2 . . . . 217 GLN HB3 . 17087 1 1122 . 1 1 99 99 GLN HE21 H 1 7.238 0.020 . 1 . . . . 217 GLN HE21 . 17087 1 1123 . 1 1 99 99 GLN HE22 H 1 6.887 0.020 . 1 . . . . 217 GLN HE22 . 17087 1 1124 . 1 1 99 99 GLN HG2 H 1 1.679 0.020 . 2 . . . . 217 GLN HG2 . 17087 1 1125 . 1 1 99 99 GLN HG3 H 1 1.604 0.020 . 2 . . . . 217 GLN HG3 . 17087 1 1126 . 1 1 99 99 GLN CA C 13 58.534 0.3 . 1 . . . . 217 GLN CA . 17087 1 1127 . 1 1 99 99 GLN CB C 13 28.186 0.3 . 1 . . . . 217 GLN CB . 17087 1 1128 . 1 1 99 99 GLN CG C 13 32.590 0.3 . 1 . . . . 217 GLN CG . 17087 1 1129 . 1 1 99 99 GLN N N 15 122.514 0.3 . 1 . . . . 217 GLN N . 17087 1 1130 . 1 1 99 99 GLN NE2 N 15 114.959 0.3 . 1 . . . . 217 GLN NE2 . 17087 1 1131 . 1 1 100 100 TYR H H 1 8.506 0.020 . 1 . . . . 218 TYR H . 17087 1 1132 . 1 1 100 100 TYR HA H 1 2.897 0.020 . 1 . . . . 218 TYR HA . 17087 1 1133 . 1 1 100 100 TYR HB2 H 1 3.007 0.020 . 2 . . . . 218 TYR HB2 . 17087 1 1134 . 1 1 100 100 TYR HB3 H 1 2.790 0.020 . 2 . . . . 218 TYR HB3 . 17087 1 1135 . 1 1 100 100 TYR HD1 H 1 6.238 0.020 . 1 . . . . 218 TYR HD1 . 17087 1 1136 . 1 1 100 100 TYR HD2 H 1 6.238 0.020 . 1 . . . . 218 TYR HD2 . 17087 1 1137 . 1 1 100 100 TYR HE1 H 1 6.556 0.020 . 1 . . . . 218 TYR HE1 . 17087 1 1138 . 1 1 100 100 TYR HE2 H 1 6.556 0.020 . 1 . . . . 218 TYR HE2 . 17087 1 1139 . 1 1 100 100 TYR CA C 13 61.892 0.3 . 1 . . . . 218 TYR CA . 17087 1 1140 . 1 1 100 100 TYR CB C 13 37.035 0.3 . 1 . . . . 218 TYR CB . 17087 1 1141 . 1 1 100 100 TYR CD1 C 13 132.460 0.3 . 1 . . . . 218 TYR CD1 . 17087 1 1142 . 1 1 100 100 TYR CE1 C 13 117.677 0.3 . 1 . . . . 218 TYR CE1 . 17087 1 1143 . 1 1 100 100 TYR N N 15 120.264 0.3 . 1 . . . . 218 TYR N . 17087 1 1144 . 1 1 101 101 GLN H H 1 8.160 0.020 . 1 . . . . 219 GLN H . 17087 1 1145 . 1 1 101 101 GLN HA H 1 3.671 0.020 . 1 . . . . 219 GLN HA . 17087 1 1146 . 1 1 101 101 GLN HB2 H 1 2.301 0.020 . 2 . . . . 219 GLN HB2 . 17087 1 1147 . 1 1 101 101 GLN HB3 H 1 2.055 0.020 . 2 . . . . 219 GLN HB3 . 17087 1 1148 . 1 1 101 101 GLN HE21 H 1 7.446 0.020 . 1 . . . . 219 GLN HE21 . 17087 1 1149 . 1 1 101 101 GLN HE22 H 1 6.836 0.020 . 1 . . . . 219 GLN HE22 . 17087 1 1150 . 1 1 101 101 GLN HG2 H 1 2.665 0.020 . 2 . . . . 219 GLN HG2 . 17087 1 1151 . 1 1 101 101 GLN HG3 H 1 2.449 0.020 . 2 . . . . 219 GLN HG3 . 17087 1 1152 . 1 1 101 101 GLN CA C 13 58.840 0.3 . 1 . . . . 219 GLN CA . 17087 1 1153 . 1 1 101 101 GLN CB C 13 27.427 0.3 . 1 . . . . 219 GLN CB . 17087 1 1154 . 1 1 101 101 GLN CG C 13 33.718 0.3 . 1 . . . . 219 GLN CG . 17087 1 1155 . 1 1 101 101 GLN N N 15 119.700 0.3 . 1 . . . . 219 GLN N . 17087 1 1156 . 1 1 101 101 GLN NE2 N 15 110.989 0.3 . 1 . . . . 219 GLN NE2 . 17087 1 1157 . 1 1 102 102 LYS H H 1 7.884 0.020 . 1 . . . . 220 LYS H . 17087 1 1158 . 1 1 102 102 LYS HA H 1 3.976 0.020 . 1 . . . . 220 LYS HA . 17087 1 1159 . 1 1 102 102 LYS HB2 H 1 1.878 0.020 . 2 . . . . 220 LYS HB2 . 17087 1 1160 . 1 1 102 102 LYS HB3 H 1 1.821 0.020 . 2 . . . . 220 LYS HB3 . 17087 1 1161 . 1 1 102 102 LYS HD2 H 1 1.578 0.020 . 1 . . . . 220 LYS HD2 . 17087 1 1162 . 1 1 102 102 LYS HD3 H 1 1.578 0.020 . 1 . . . . 220 LYS HD3 . 17087 1 1163 . 1 1 102 102 LYS HE2 H 1 2.897 0.020 . 1 . . . . 220 LYS HE2 . 17087 1 1164 . 1 1 102 102 LYS HE3 H 1 2.897 0.020 . 1 . . . . 220 LYS HE3 . 17087 1 1165 . 1 1 102 102 LYS HG2 H 1 1.542 0.020 . 2 . . . . 220 LYS HG2 . 17087 1 1166 . 1 1 102 102 LYS HG3 H 1 1.367 0.020 . 2 . . . . 220 LYS HG3 . 17087 1 1167 . 1 1 102 102 LYS CA C 13 59.178 0.3 . 1 . . . . 220 LYS CA . 17087 1 1168 . 1 1 102 102 LYS CB C 13 32.248 0.3 . 1 . . . . 220 LYS CB . 17087 1 1169 . 1 1 102 102 LYS CD C 13 29.350 0.3 . 1 . . . . 220 LYS CD . 17087 1 1170 . 1 1 102 102 LYS CE C 13 41.895 0.3 . 1 . . . . 220 LYS CE . 17087 1 1171 . 1 1 102 102 LYS CG C 13 24.917 0.3 . 1 . . . . 220 LYS CG . 17087 1 1172 . 1 1 102 102 LYS N N 15 119.127 0.3 . 1 . . . . 220 LYS N . 17087 1 1173 . 1 1 103 103 GLU H H 1 8.250 0.020 . 1 . . . . 221 GLU H . 17087 1 1174 . 1 1 103 103 GLU HA H 1 4.031 0.020 . 1 . . . . 221 GLU HA . 17087 1 1175 . 1 1 103 103 GLU HB2 H 1 2.154 0.020 . 2 . . . . 221 GLU HB2 . 17087 1 1176 . 1 1 103 103 GLU HB3 H 1 1.598 0.020 . 2 . . . . 221 GLU HB3 . 17087 1 1177 . 1 1 103 103 GLU HG2 H 1 2.159 0.020 . 2 . . . . 221 GLU HG2 . 17087 1 1178 . 1 1 103 103 GLU HG3 H 1 2.419 0.020 . 2 . . . . 221 GLU HG3 . 17087 1 1179 . 1 1 103 103 GLU CA C 13 57.503 0.3 . 1 . . . . 221 GLU CA . 17087 1 1180 . 1 1 103 103 GLU CB C 13 29.312 0.3 . 1 . . . . 221 GLU CB . 17087 1 1181 . 1 1 103 103 GLU CG C 13 35.661 0.3 . 1 . . . . 221 GLU CG . 17087 1 1182 . 1 1 103 103 GLU N N 15 118.027 0.3 . 1 . . . . 221 GLU N . 17087 1 1183 . 1 1 104 104 SER H H 1 8.211 0.020 . 1 . . . . 222 SER H . 17087 1 1184 . 1 1 104 104 SER HA H 1 3.979 0.020 . 1 . . . . 222 SER HA . 17087 1 1185 . 1 1 104 104 SER HB2 H 1 3.547 0.020 . 2 . . . . 222 SER HB2 . 17087 1 1186 . 1 1 104 104 SER HB3 H 1 3.297 0.020 . 2 . . . . 222 SER HB3 . 17087 1 1187 . 1 1 104 104 SER CA C 13 60.471 0.3 . 1 . . . . 222 SER CA . 17087 1 1188 . 1 1 104 104 SER CB C 13 62.616 0.3 . 1 . . . . 222 SER CB . 17087 1 1189 . 1 1 104 104 SER N N 15 114.928 0.3 . 1 . . . . 222 SER N . 17087 1 1190 . 1 1 105 105 GLN H H 1 7.727 0.020 . 1 . . . . 223 GLN H . 17087 1 1191 . 1 1 105 105 GLN HA H 1 4.099 0.020 . 1 . . . . 223 GLN HA . 17087 1 1192 . 1 1 105 105 GLN HB2 H 1 2.069 0.020 . 1 . . . . 223 GLN HB2 . 17087 1 1193 . 1 1 105 105 GLN HB3 H 1 2.069 0.020 . 1 . . . . 223 GLN HB3 . 17087 1 1194 . 1 1 105 105 GLN HE21 H 1 7.568 0.020 . 1 . . . . 223 GLN HE21 . 17087 1 1195 . 1 1 105 105 GLN HE22 H 1 6.835 0.020 . 1 . . . . 223 GLN HE22 . 17087 1 1196 . 1 1 105 105 GLN HG2 H 1 2.418 0.020 . 2 . . . . 223 GLN HG2 . 17087 1 1197 . 1 1 105 105 GLN HG3 H 1 2.349 0.020 . 2 . . . . 223 GLN HG3 . 17087 1 1198 . 1 1 105 105 GLN CA C 13 57.413 0.3 . 1 . . . . 223 GLN CA . 17087 1 1199 . 1 1 105 105 GLN CB C 13 28.440 0.3 . 1 . . . . 223 GLN CB . 17087 1 1200 . 1 1 105 105 GLN CG C 13 33.731 0.3 . 1 . . . . 223 GLN CG . 17087 1 1201 . 1 1 105 105 GLN N N 15 121.791 0.3 . 1 . . . . 223 GLN N . 17087 1 1202 . 1 1 105 105 GLN NE2 N 15 112.769 0.3 . 1 . . . . 223 GLN NE2 . 17087 1 1203 . 1 1 106 106 ALA H H 1 7.789 0.020 . 1 . . . . 224 ALA H . 17087 1 1204 . 1 1 106 106 ALA HA H 1 4.193 0.020 . 1 . . . . 224 ALA HA . 17087 1 1205 . 1 1 106 106 ALA HB1 H 1 1.414 0.020 . 1 . . . . 224 ALA HB . 17087 1 1206 . 1 1 106 106 ALA HB2 H 1 1.414 0.020 . 1 . . . . 224 ALA HB . 17087 1 1207 . 1 1 106 106 ALA HB3 H 1 1.414 0.020 . 1 . . . . 224 ALA HB . 17087 1 1208 . 1 1 106 106 ALA CA C 13 53.806 0.3 . 1 . . . . 224 ALA CA . 17087 1 1209 . 1 1 106 106 ALA CB C 13 18.363 0.3 . 1 . . . . 224 ALA CB . 17087 1 1210 . 1 1 106 106 ALA N N 15 122.291 0.3 . 1 . . . . 224 ALA N . 17087 1 1211 . 1 1 107 107 ALA H H 1 7.921 0.020 . 1 . . . . 225 ALA H . 17087 1 1212 . 1 1 107 107 ALA HA H 1 4.208 0.020 . 1 . . . . 225 ALA HA . 17087 1 1213 . 1 1 107 107 ALA HB1 H 1 1.400 0.020 . 1 . . . . 225 ALA HB . 17087 1 1214 . 1 1 107 107 ALA HB2 H 1 1.400 0.020 . 1 . . . . 225 ALA HB . 17087 1 1215 . 1 1 107 107 ALA HB3 H 1 1.400 0.020 . 1 . . . . 225 ALA HB . 17087 1 1216 . 1 1 107 107 ALA CA C 13 53.402 0.3 . 1 . . . . 225 ALA CA . 17087 1 1217 . 1 1 107 107 ALA CB C 13 18.443 0.3 . 1 . . . . 225 ALA CB . 17087 1 1218 . 1 1 107 107 ALA N N 15 121.203 0.3 . 1 . . . . 225 ALA N . 17087 1 1219 . 1 1 108 108 ALA H H 1 7.925 0.020 . 1 . . . . 226 ALA H . 17087 1 1220 . 1 1 108 108 ALA HA H 1 4.210 0.020 . 1 . . . . 226 ALA HA . 17087 1 1221 . 1 1 108 108 ALA HB1 H 1 1.429 0.020 . 1 . . . . 226 ALA HB . 17087 1 1222 . 1 1 108 108 ALA HB2 H 1 1.429 0.020 . 1 . . . . 226 ALA HB . 17087 1 1223 . 1 1 108 108 ALA HB3 H 1 1.429 0.020 . 1 . . . . 226 ALA HB . 17087 1 1224 . 1 1 108 108 ALA CA C 13 53.394 0.3 . 1 . . . . 226 ALA CA . 17087 1 1225 . 1 1 108 108 ALA CB C 13 18.531 0.3 . 1 . . . . 226 ALA CB . 17087 1 1226 . 1 1 108 108 ALA N N 15 122.132 0.3 . 1 . . . . 226 ALA N . 17087 1 1227 . 1 1 109 109 ASP H H 1 8.184 0.020 . 1 . . . . 227 ASP H . 17087 1 1228 . 1 1 109 109 ASP HA H 1 4.570 0.020 . 1 . . . . 227 ASP HA . 17087 1 1229 . 1 1 109 109 ASP HB2 H 1 2.765 0.020 . 1 . . . . 227 ASP HB2 . 17087 1 1230 . 1 1 109 109 ASP HB3 H 1 2.765 0.020 . 1 . . . . 227 ASP HB3 . 17087 1 1231 . 1 1 109 109 ASP CA C 13 54.509 0.3 . 1 . . . . 227 ASP CA . 17087 1 1232 . 1 1 109 109 ASP CB C 13 40.362 0.3 . 1 . . . . 227 ASP CB . 17087 1 1233 . 1 1 109 109 ASP N N 15 118.108 0.3 . 1 . . . . 227 ASP N . 17087 1 1234 . 1 1 110 110 GLY H H 1 8.158 0.020 . 1 . . . . 228 GLY H . 17087 1 1235 . 1 1 110 110 GLY HA2 H 1 3.955 0.020 . 1 . . . . 228 GLY HA2 . 17087 1 1236 . 1 1 110 110 GLY HA3 H 1 3.955 0.020 . 1 . . . . 228 GLY HA3 . 17087 1 1237 . 1 1 110 110 GLY CA C 13 45.638 0.3 . 1 . . . . 228 GLY CA . 17087 1 1238 . 1 1 110 110 GLY N N 15 108.432 0.3 . 1 . . . . 228 GLY N . 17087 1 1239 . 1 1 111 111 ARG H H 1 8.003 0.020 . 1 . . . . 229 ARG H . 17087 1 1240 . 1 1 111 111 ARG HA H 1 4.350 0.020 . 1 . . . . 229 ARG HA . 17087 1 1241 . 1 1 111 111 ARG HB2 H 1 1.807 0.020 . 2 . . . . 229 ARG HB2 . 17087 1 1242 . 1 1 111 111 ARG HB3 H 1 1.878 0.020 . 2 . . . . 229 ARG HB3 . 17087 1 1243 . 1 1 111 111 ARG HD2 H 1 3.204 0.020 . 1 . . . . 229 ARG HD2 . 17087 1 1244 . 1 1 111 111 ARG HD3 H 1 3.204 0.020 . 1 . . . . 229 ARG HD3 . 17087 1 1245 . 1 1 111 111 ARG HE H 1 7.336 0.020 . 1 . . . . 229 ARG HE . 17087 1 1246 . 1 1 111 111 ARG HG2 H 1 1.654 0.020 . 2 . . . . 229 ARG HG2 . 17087 1 1247 . 1 1 111 111 ARG HG3 H 1 1.614 0.020 . 2 . . . . 229 ARG HG3 . 17087 1 1248 . 1 1 111 111 ARG CA C 13 56.103 0.3 . 1 . . . . 229 ARG CA . 17087 1 1249 . 1 1 111 111 ARG CB C 13 30.644 0.3 . 1 . . . . 229 ARG CB . 17087 1 1250 . 1 1 111 111 ARG CD C 13 43.295 0.3 . 1 . . . . 229 ARG CD . 17087 1 1251 . 1 1 111 111 ARG CG C 13 27.106 0.3 . 1 . . . . 229 ARG CG . 17087 1 1252 . 1 1 111 111 ARG N N 15 120.075 0.3 . 1 . . . . 229 ARG N . 17087 1 1253 . 1 1 111 111 ARG NE N 15 84.737 0.3 . 1 . . . . 229 ARG NE . 17087 1 1254 . 1 1 112 112 ARG H H 1 8.358 0.020 . 1 . . . . 230 ARG H . 17087 1 1255 . 1 1 112 112 ARG HA H 1 4.426 0.020 . 1 . . . . 230 ARG HA . 17087 1 1256 . 1 1 112 112 ARG HB2 H 1 1.811 0.020 . 2 . . . . 230 ARG HB2 . 17087 1 1257 . 1 1 112 112 ARG HB3 H 1 1.925 0.020 . 2 . . . . 230 ARG HB3 . 17087 1 1258 . 1 1 112 112 ARG HD2 H 1 3.221 0.020 . 1 . . . . 230 ARG HD2 . 17087 1 1259 . 1 1 112 112 ARG HD3 H 1 3.221 0.020 . 1 . . . . 230 ARG HD3 . 17087 1 1260 . 1 1 112 112 ARG HE H 1 7.267 0.020 . 1 . . . . 230 ARG HE . 17087 1 1261 . 1 1 112 112 ARG HG2 H 1 1.692 0.020 . 2 . . . . 230 ARG HG2 . 17087 1 1262 . 1 1 112 112 ARG HG3 H 1 1.655 0.020 . 2 . . . . 230 ARG HG3 . 17087 1 1263 . 1 1 112 112 ARG CA C 13 55.954 0.3 . 1 . . . . 230 ARG CA . 17087 1 1264 . 1 1 112 112 ARG CB C 13 30.944 0.3 . 1 . . . . 230 ARG CB . 17087 1 1265 . 1 1 112 112 ARG CD C 13 43.243 0.3 . 1 . . . . 230 ARG CD . 17087 1 1266 . 1 1 112 112 ARG CG C 13 27.056 0.3 . 1 . . . . 230 ARG CG . 17087 1 1267 . 1 1 112 112 ARG N N 15 122.130 0.3 . 1 . . . . 230 ARG N . 17087 1 1268 . 1 1 112 112 ARG NE N 15 84.688 0.3 . 1 . . . . 230 ARG NE . 17087 1 1269 . 1 1 113 113 SER H H 1 8.485 0.020 . 1 . . . . 231 SER H . 17087 1 1270 . 1 1 113 113 SER HA H 1 4.505 0.020 . 1 . . . . 231 SER HA . 17087 1 1271 . 1 1 113 113 SER HB2 H 1 3.922 0.020 . 2 . . . . 231 SER HB2 . 17087 1 1272 . 1 1 113 113 SER HB3 H 1 3.882 0.020 . 2 . . . . 231 SER HB3 . 17087 1 1273 . 1 1 113 113 SER CA C 13 58.261 0.3 . 1 . . . . 231 SER CA . 17087 1 1274 . 1 1 113 113 SER CB C 13 63.951 0.3 . 1 . . . . 231 SER CB . 17087 1 1275 . 1 1 113 113 SER N N 15 117.624 0.3 . 1 . . . . 231 SER N . 17087 1 1276 . 1 1 114 114 SER H H 1 8.069 0.020 . 1 . . . . 232 SER H . 17087 1 1277 . 1 1 114 114 SER HA H 1 4.290 0.020 . 1 . . . . 232 SER HA . 17087 1 1278 . 1 1 114 114 SER HB2 H 1 3.869 0.020 . 1 . . . . 232 SER HB2 . 17087 1 1279 . 1 1 114 114 SER HB3 H 1 3.869 0.020 . 1 . . . . 232 SER HB3 . 17087 1 1280 . 1 1 114 114 SER CA C 13 59.895 0.3 . 1 . . . . 232 SER CA . 17087 1 1281 . 1 1 114 114 SER CB C 13 64.673 0.3 . 1 . . . . 232 SER CB . 17087 1 1282 . 1 1 114 114 SER N N 15 122.774 0.3 . 1 . . . . 232 SER N . 17087 1 stop_ save_