data_27642 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27642 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the Mps1 TPR domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-10-09 _Entry.Accession_date 2018-10-09 _Entry.Last_release_date 2018-10-09 _Entry.Original_release_date 2018-10-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Yoshitaka Hiruma . . . . 27642 2 Anastassis Perrakis . . . . 27642 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Netherlands Cancer Institute' . 27642 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27642 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 487 27642 '15N chemical shifts' 159 27642 '1H chemical shifts' 159 27642 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-03-01 2018-10-09 update BMRB 'update entry citation' 27642 1 . . 2019-02-12 2018-10-09 original author 'original release' 27642 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27641 'Mps1 1-239' 27642 PDB 4B94 . 27642 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27642 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30784592 _Citation.Full_citation . _Citation.Title ; Interactions between N-terminal Modules in MPS1 Enable Spindle Checkpoint Silencing. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Cell Rep.' _Citation.Journal_name_full 'Cell reports' _Citation.Journal_volume 26 _Citation.Journal_issue 8 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2211-1247 _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 2101 _Citation.Page_last 2112 _Citation.Year 2019 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Spyridon Pachis S. T. . . 27642 1 2 Yoshitaka Hiruma Y. . . . 27642 1 3 Eelco Tromer E. C. . . 27642 1 4 Anastassis Perrakis A. . . . 27642 1 5 Geert Kops . . . . 27642 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID MPS1 27642 1 NMR 27642 1 TPR 27642 1 TTK 27642 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27642 _Assembly.ID 1 _Assembly.Name 'Mps1 62-239' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Mps1 62-239' 1 $TTK A . yes native no no . . . 27642 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes BMRB 27641 . . 'solution NMR' . . . 27642 1 yes PDB 4B94 . . X-ray 2.2 . . 27642 1 yes UNP P33981 . . . . . . 27642 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TTK _Entity.Sf_category entity _Entity.Sf_framecode TTK _Entity.Entry_ID 27642 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TTK _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PEDWLSLLLKLEKNSVPLSD ALLNKLIGRYSQAIEALPPD KYGQNESFARIQVRFAELKA IQEPDDARDYFQMARANCKK FAFVHISFAQFELSQGNVKK SKQLLQKAVERGAVPLEMLE IALRNLNLQKKQLLSEEEKK NLSASTVLTAQESFSGSLGH LQNRNNSCDSRGQTTKAR ; _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 178 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 yes UNP P33981 . TTK/MPS1 . . . . . . . . . . . . . . 27642 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 62 PRO . 27642 1 2 63 GLU . 27642 1 3 64 ASP . 27642 1 4 65 TRP . 27642 1 5 66 LEU . 27642 1 6 67 SER . 27642 1 7 68 LEU . 27642 1 8 69 LEU . 27642 1 9 70 LEU . 27642 1 10 71 LYS . 27642 1 11 72 LEU . 27642 1 12 73 GLU . 27642 1 13 74 LYS . 27642 1 14 75 ASN . 27642 1 15 76 SER . 27642 1 16 77 VAL . 27642 1 17 78 PRO . 27642 1 18 79 LEU . 27642 1 19 80 SER . 27642 1 20 81 ASP . 27642 1 21 82 ALA . 27642 1 22 83 LEU . 27642 1 23 84 LEU . 27642 1 24 85 ASN . 27642 1 25 86 LYS . 27642 1 26 87 LEU . 27642 1 27 88 ILE . 27642 1 28 89 GLY . 27642 1 29 90 ARG . 27642 1 30 91 TYR . 27642 1 31 92 SER . 27642 1 32 93 GLN . 27642 1 33 94 ALA . 27642 1 34 95 ILE . 27642 1 35 96 GLU . 27642 1 36 97 ALA . 27642 1 37 98 LEU . 27642 1 38 99 PRO . 27642 1 39 100 PRO . 27642 1 40 101 ASP . 27642 1 41 102 LYS . 27642 1 42 103 TYR . 27642 1 43 104 GLY . 27642 1 44 105 GLN . 27642 1 45 106 ASN . 27642 1 46 107 GLU . 27642 1 47 108 SER . 27642 1 48 109 PHE . 27642 1 49 110 ALA . 27642 1 50 111 ARG . 27642 1 51 112 ILE . 27642 1 52 113 GLN . 27642 1 53 114 VAL . 27642 1 54 115 ARG . 27642 1 55 116 PHE . 27642 1 56 117 ALA . 27642 1 57 118 GLU . 27642 1 58 119 LEU . 27642 1 59 120 LYS . 27642 1 60 121 ALA . 27642 1 61 122 ILE . 27642 1 62 123 GLN . 27642 1 63 124 GLU . 27642 1 64 125 PRO . 27642 1 65 126 ASP . 27642 1 66 127 ASP . 27642 1 67 128 ALA . 27642 1 68 129 ARG . 27642 1 69 130 ASP . 27642 1 70 131 TYR . 27642 1 71 132 PHE . 27642 1 72 133 GLN . 27642 1 73 134 MET . 27642 1 74 135 ALA . 27642 1 75 136 ARG . 27642 1 76 137 ALA . 27642 1 77 138 ASN . 27642 1 78 139 CYS . 27642 1 79 140 LYS . 27642 1 80 141 LYS . 27642 1 81 142 PHE . 27642 1 82 143 ALA . 27642 1 83 144 PHE . 27642 1 84 145 VAL . 27642 1 85 146 HIS . 27642 1 86 147 ILE . 27642 1 87 148 SER . 27642 1 88 149 PHE . 27642 1 89 150 ALA . 27642 1 90 151 GLN . 27642 1 91 152 PHE . 27642 1 92 153 GLU . 27642 1 93 154 LEU . 27642 1 94 155 SER . 27642 1 95 156 GLN . 27642 1 96 157 GLY . 27642 1 97 158 ASN . 27642 1 98 159 VAL . 27642 1 99 160 LYS . 27642 1 100 161 LYS . 27642 1 101 162 SER . 27642 1 102 163 LYS . 27642 1 103 164 GLN . 27642 1 104 165 LEU . 27642 1 105 166 LEU . 27642 1 106 167 GLN . 27642 1 107 168 LYS . 27642 1 108 169 ALA . 27642 1 109 170 VAL . 27642 1 110 171 GLU . 27642 1 111 172 ARG . 27642 1 112 173 GLY . 27642 1 113 174 ALA . 27642 1 114 175 VAL . 27642 1 115 176 PRO . 27642 1 116 177 LEU . 27642 1 117 178 GLU . 27642 1 118 179 MET . 27642 1 119 180 LEU . 27642 1 120 181 GLU . 27642 1 121 182 ILE . 27642 1 122 183 ALA . 27642 1 123 184 LEU . 27642 1 124 185 ARG . 27642 1 125 186 ASN . 27642 1 126 187 LEU . 27642 1 127 188 ASN . 27642 1 128 189 LEU . 27642 1 129 190 GLN . 27642 1 130 191 LYS . 27642 1 131 192 LYS . 27642 1 132 193 GLN . 27642 1 133 194 LEU . 27642 1 134 195 LEU . 27642 1 135 196 SER . 27642 1 136 197 GLU . 27642 1 137 198 GLU . 27642 1 138 199 GLU . 27642 1 139 200 LYS . 27642 1 140 201 LYS . 27642 1 141 202 ASN . 27642 1 142 203 LEU . 27642 1 143 204 SER . 27642 1 144 205 ALA . 27642 1 145 206 SER . 27642 1 146 207 THR . 27642 1 147 208 VAL . 27642 1 148 209 LEU . 27642 1 149 210 THR . 27642 1 150 211 ALA . 27642 1 151 212 GLN . 27642 1 152 213 GLU . 27642 1 153 214 SER . 27642 1 154 215 PHE . 27642 1 155 216 SER . 27642 1 156 217 GLY . 27642 1 157 218 SER . 27642 1 158 219 LEU . 27642 1 159 220 GLY . 27642 1 160 221 HIS . 27642 1 161 222 LEU . 27642 1 162 223 GLN . 27642 1 163 224 ASN . 27642 1 164 225 ARG . 27642 1 165 226 ASN . 27642 1 166 227 ASN . 27642 1 167 228 SER . 27642 1 168 229 CYS . 27642 1 169 230 ASP . 27642 1 170 231 SER . 27642 1 171 232 ARG . 27642 1 172 233 GLY . 27642 1 173 234 GLN . 27642 1 174 235 THR . 27642 1 175 236 THR . 27642 1 176 237 LYS . 27642 1 177 238 ALA . 27642 1 178 239 ARG . 27642 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 . PRO 1 1 27642 1 . GLU 2 2 27642 1 . ASP 3 3 27642 1 . TRP 4 4 27642 1 . LEU 5 5 27642 1 . SER 6 6 27642 1 . LEU 7 7 27642 1 . LEU 8 8 27642 1 . LEU 9 9 27642 1 . LYS 10 10 27642 1 . LEU 11 11 27642 1 . GLU 12 12 27642 1 . LYS 13 13 27642 1 . ASN 14 14 27642 1 . SER 15 15 27642 1 . VAL 16 16 27642 1 . PRO 17 17 27642 1 . LEU 18 18 27642 1 . SER 19 19 27642 1 . ASP 20 20 27642 1 . ALA 21 21 27642 1 . LEU 22 22 27642 1 . LEU 23 23 27642 1 . ASN 24 24 27642 1 . LYS 25 25 27642 1 . LEU 26 26 27642 1 . ILE 27 27 27642 1 . GLY 28 28 27642 1 . ARG 29 29 27642 1 . TYR 30 30 27642 1 . SER 31 31 27642 1 . GLN 32 32 27642 1 . ALA 33 33 27642 1 . ILE 34 34 27642 1 . GLU 35 35 27642 1 . ALA 36 36 27642 1 . LEU 37 37 27642 1 . PRO 38 38 27642 1 . PRO 39 39 27642 1 . ASP 40 40 27642 1 . LYS 41 41 27642 1 . TYR 42 42 27642 1 . GLY 43 43 27642 1 . GLN 44 44 27642 1 . ASN 45 45 27642 1 . GLU 46 46 27642 1 . SER 47 47 27642 1 . PHE 48 48 27642 1 . ALA 49 49 27642 1 . ARG 50 50 27642 1 . ILE 51 51 27642 1 . GLN 52 52 27642 1 . VAL 53 53 27642 1 . ARG 54 54 27642 1 . PHE 55 55 27642 1 . ALA 56 56 27642 1 . GLU 57 57 27642 1 . LEU 58 58 27642 1 . LYS 59 59 27642 1 . ALA 60 60 27642 1 . ILE 61 61 27642 1 . GLN 62 62 27642 1 . GLU 63 63 27642 1 . PRO 64 64 27642 1 . ASP 65 65 27642 1 . ASP 66 66 27642 1 . ALA 67 67 27642 1 . ARG 68 68 27642 1 . ASP 69 69 27642 1 . TYR 70 70 27642 1 . PHE 71 71 27642 1 . GLN 72 72 27642 1 . MET 73 73 27642 1 . ALA 74 74 27642 1 . ARG 75 75 27642 1 . ALA 76 76 27642 1 . ASN 77 77 27642 1 . CYS 78 78 27642 1 . LYS 79 79 27642 1 . LYS 80 80 27642 1 . PHE 81 81 27642 1 . ALA 82 82 27642 1 . PHE 83 83 27642 1 . VAL 84 84 27642 1 . HIS 85 85 27642 1 . ILE 86 86 27642 1 . SER 87 87 27642 1 . PHE 88 88 27642 1 . ALA 89 89 27642 1 . GLN 90 90 27642 1 . PHE 91 91 27642 1 . GLU 92 92 27642 1 . LEU 93 93 27642 1 . SER 94 94 27642 1 . GLN 95 95 27642 1 . GLY 96 96 27642 1 . ASN 97 97 27642 1 . VAL 98 98 27642 1 . LYS 99 99 27642 1 . LYS 100 100 27642 1 . SER 101 101 27642 1 . LYS 102 102 27642 1 . GLN 103 103 27642 1 . LEU 104 104 27642 1 . LEU 105 105 27642 1 . GLN 106 106 27642 1 . LYS 107 107 27642 1 . ALA 108 108 27642 1 . VAL 109 109 27642 1 . GLU 110 110 27642 1 . ARG 111 111 27642 1 . GLY 112 112 27642 1 . ALA 113 113 27642 1 . VAL 114 114 27642 1 . PRO 115 115 27642 1 . LEU 116 116 27642 1 . GLU 117 117 27642 1 . MET 118 118 27642 1 . LEU 119 119 27642 1 . GLU 120 120 27642 1 . ILE 121 121 27642 1 . ALA 122 122 27642 1 . LEU 123 123 27642 1 . ARG 124 124 27642 1 . ASN 125 125 27642 1 . LEU 126 126 27642 1 . ASN 127 127 27642 1 . LEU 128 128 27642 1 . GLN 129 129 27642 1 . LYS 130 130 27642 1 . LYS 131 131 27642 1 . GLN 132 132 27642 1 . LEU 133 133 27642 1 . LEU 134 134 27642 1 . SER 135 135 27642 1 . GLU 136 136 27642 1 . GLU 137 137 27642 1 . GLU 138 138 27642 1 . LYS 139 139 27642 1 . LYS 140 140 27642 1 . ASN 141 141 27642 1 . LEU 142 142 27642 1 . SER 143 143 27642 1 . ALA 144 144 27642 1 . SER 145 145 27642 1 . THR 146 146 27642 1 . VAL 147 147 27642 1 . LEU 148 148 27642 1 . THR 149 149 27642 1 . ALA 150 150 27642 1 . GLN 151 151 27642 1 . GLU 152 152 27642 1 . SER 153 153 27642 1 . PHE 154 154 27642 1 . SER 155 155 27642 1 . GLY 156 156 27642 1 . SER 157 157 27642 1 . LEU 158 158 27642 1 . GLY 159 159 27642 1 . HIS 160 160 27642 1 . LEU 161 161 27642 1 . GLN 162 162 27642 1 . ASN 163 163 27642 1 . ARG 164 164 27642 1 . ASN 165 165 27642 1 . ASN 166 166 27642 1 . SER 167 167 27642 1 . CYS 168 168 27642 1 . ASP 169 169 27642 1 . SER 170 170 27642 1 . ARG 171 171 27642 1 . GLY 172 172 27642 1 . GLN 173 173 27642 1 . THR 174 174 27642 1 . THR 175 175 27642 1 . LYS 176 176 27642 1 . ALA 177 177 27642 1 . ARG 178 178 27642 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 27642 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $TTK . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27642 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 27642 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $TTK . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . pET . . . 27642 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27642 _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 TTK '[U-13C; U-15N]' . . 1 $TTK . . 600 . . uM . . . . 27642 1 2 HEPES/NaOH 'natural abundance' . . . . . . 20 . . mM . . . . 27642 1 3 KCl 'natural abundance' . . . . . . 150 . . mM . . . . 27642 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 27642 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 27642 _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' 0.15 . M 27642 1 pH 7.4 . pH 27642 1 pressure 1 . atm 27642 1 temperature 298 . K 27642 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 27642 _Software.ID 1 _Software.Type . _Software.Name CCPN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27642 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27642 1 stop_ 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 27642 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 850 . . . 27642 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 27642 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27642 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27642 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27642 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27642 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27642 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27642 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 27642 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27642 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27642 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27642 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 27642 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27642 1 2 '3D HNCO' . . . 27642 1 3 '3D HNCA' . . . 27642 1 4 '3D HNCACB' . . . 27642 1 5 '3D CBCA(CO)NH' . . . 27642 1 6 '3D HN(CO)CA' . . . 27642 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PRO CA C 13 65.777 0.30 . . . . . . . 62 PRO CA . 27642 1 2 . 1 1 1 1 PRO CB C 13 31.878 0.30 . . . . . . . 62 PRO CB . 27642 1 3 . 1 1 2 2 GLU H H 1 9.274 0.03 . . . . . . . 63 GLU H . 27642 1 4 . 1 1 2 2 GLU C C 13 179.136 0.30 . . . . . . . 63 GLU C . 27642 1 5 . 1 1 2 2 GLU CA C 13 61.355 0.30 . . . . . . . 63 GLU CA . 27642 1 6 . 1 1 2 2 GLU CB C 13 27.806 0.30 . . . . . . . 63 GLU CB . 27642 1 7 . 1 1 2 2 GLU N N 15 117.668 0.30 . . . . . . . 63 GLU N . 27642 1 8 . 1 1 3 3 ASP H H 1 7.611 0.03 . . . . . . . 64 ASP H . 27642 1 9 . 1 1 3 3 ASP C C 13 179.6 0.30 . . . . . . . 64 ASP C . 27642 1 10 . 1 1 3 3 ASP CA C 13 56.962 0.30 . . . . . . . 64 ASP CA . 27642 1 11 . 1 1 3 3 ASP CB C 13 41.116 0.30 . . . . . . . 64 ASP CB . 27642 1 12 . 1 1 3 3 ASP N N 15 119.919 0.30 . . . . . . . 64 ASP N . 27642 1 13 . 1 1 4 4 TRP H H 1 8.095 0.03 . . . . . . . 65 TRP H . 27642 1 14 . 1 1 4 4 TRP HE1 H 1 9.943 0.03 . . . . . . . 65 TRP HE1 . 27642 1 15 . 1 1 4 4 TRP C C 13 177.822 0.30 . . . . . . . 65 TRP C . 27642 1 16 . 1 1 4 4 TRP CA C 13 61.182 0.30 . . . . . . . 65 TRP CA . 27642 1 17 . 1 1 4 4 TRP CB C 13 29.754 0.30 . . . . . . . 65 TRP CB . 27642 1 18 . 1 1 4 4 TRP N N 15 119.986 0.30 . . . . . . . 65 TRP N . 27642 1 19 . 1 1 4 4 TRP NE1 N 15 128.026 0.30 . . . . . . . 65 TRP NE1 . 27642 1 20 . 1 1 5 5 LEU H H 1 8.784 0.03 . . . . . . . 66 LEU H . 27642 1 21 . 1 1 5 5 LEU C C 13 177.682 0.30 . . . . . . . 66 LEU C . 27642 1 22 . 1 1 5 5 LEU CA C 13 58.522 0.30 . . . . . . . 66 LEU CA . 27642 1 23 . 1 1 5 5 LEU CB C 13 41.21 0.30 . . . . . . . 66 LEU CB . 27642 1 24 . 1 1 5 5 LEU N N 15 119.1 0.30 . . . . . . . 66 LEU N . 27642 1 25 . 1 1 6 6 SER H H 1 7.643 0.03 . . . . . . . 67 SER H . 27642 1 26 . 1 1 6 6 SER C C 13 177.288 0.30 . . . . . . . 67 SER C . 27642 1 27 . 1 1 6 6 SER CA C 13 61.825 0.30 . . . . . . . 67 SER CA . 27642 1 28 . 1 1 6 6 SER CB C 13 62.846 0.30 . . . . . . . 67 SER CB . 27642 1 29 . 1 1 6 6 SER N N 15 111.41 0.30 . . . . . . . 67 SER N . 27642 1 30 . 1 1 7 7 LEU H H 1 7.335 0.03 . . . . . . . 68 LEU H . 27642 1 31 . 1 1 7 7 LEU C C 13 179.563 0.30 . . . . . . . 68 LEU C . 27642 1 32 . 1 1 7 7 LEU CA C 13 58.538 0.30 . . . . . . . 68 LEU CA . 27642 1 33 . 1 1 7 7 LEU CB C 13 41.977 0.30 . . . . . . . 68 LEU CB . 27642 1 34 . 1 1 7 7 LEU N N 15 121.548 0.30 . . . . . . . 68 LEU N . 27642 1 35 . 1 1 8 8 LEU H H 1 8.609 0.03 . . . . . . . 69 LEU H . 27642 1 36 . 1 1 8 8 LEU C C 13 180.495 0.30 . . . . . . . 69 LEU C . 27642 1 37 . 1 1 8 8 LEU CA C 13 58.045 0.30 . . . . . . . 69 LEU CA . 27642 1 38 . 1 1 8 8 LEU CB C 13 40.271 0.30 . . . . . . . 69 LEU CB . 27642 1 39 . 1 1 8 8 LEU N N 15 122.662 0.30 . . . . . . . 69 LEU N . 27642 1 40 . 1 1 9 9 LEU H H 1 8.94 0.03 . . . . . . . 70 LEU H . 27642 1 41 . 1 1 9 9 LEU C C 13 180.449 0.30 . . . . . . . 70 LEU C . 27642 1 42 . 1 1 9 9 LEU CA C 13 58.144 0.30 . . . . . . . 70 LEU CA . 27642 1 43 . 1 1 9 9 LEU CB C 13 41.385 0.30 . . . . . . . 70 LEU CB . 27642 1 44 . 1 1 9 9 LEU N N 15 121.501 0.30 . . . . . . . 70 LEU N . 27642 1 45 . 1 1 10 10 LYS H H 1 7.485 0.03 . . . . . . . 71 LYS H . 27642 1 46 . 1 1 10 10 LYS C C 13 178.741 0.30 . . . . . . . 71 LYS C . 27642 1 47 . 1 1 10 10 LYS CA C 13 59.733 0.30 . . . . . . . 71 LYS CA . 27642 1 48 . 1 1 10 10 LYS CB C 13 32.058 0.30 . . . . . . . 71 LYS CB . 27642 1 49 . 1 1 10 10 LYS N N 15 120.65 0.30 . . . . . . . 71 LYS N . 27642 1 50 . 1 1 11 11 LEU H H 1 7.923 0.03 . . . . . . . 72 LEU H . 27642 1 51 . 1 1 11 11 LEU C C 13 180.71 0.30 . . . . . . . 72 LEU C . 27642 1 52 . 1 1 11 11 LEU CA C 13 57.671 0.30 . . . . . . . 72 LEU CA . 27642 1 53 . 1 1 11 11 LEU CB C 13 41.448 0.30 . . . . . . . 72 LEU CB . 27642 1 54 . 1 1 11 11 LEU N N 15 119.649 0.30 . . . . . . . 72 LEU N . 27642 1 55 . 1 1 12 12 GLU H H 1 8.37 0.03 . . . . . . . 73 GLU H . 27642 1 56 . 1 1 12 12 GLU C C 13 178.907 0.30 . . . . . . . 73 GLU C . 27642 1 57 . 1 1 12 12 GLU CA C 13 60.82 0.30 . . . . . . . 73 GLU CA . 27642 1 58 . 1 1 12 12 GLU CB C 13 29.221 0.30 . . . . . . . 73 GLU CB . 27642 1 59 . 1 1 12 12 GLU N N 15 120.875 0.30 . . . . . . . 73 GLU N . 27642 1 60 . 1 1 13 13 LYS H H 1 7.865 0.03 . . . . . . . 74 LYS H . 27642 1 61 . 1 1 13 13 LYS C C 13 177.493 0.30 . . . . . . . 74 LYS C . 27642 1 62 . 1 1 13 13 LYS CA C 13 58.823 0.30 . . . . . . . 74 LYS CA . 27642 1 63 . 1 1 13 13 LYS CB C 13 32.027 0.30 . . . . . . . 74 LYS CB . 27642 1 64 . 1 1 13 13 LYS N N 15 119.443 0.30 . . . . . . . 74 LYS N . 27642 1 65 . 1 1 14 14 ASN H H 1 7.518 0.03 . . . . . . . 75 ASN H . 27642 1 66 . 1 1 14 14 ASN C C 13 175.87 0.30 . . . . . . . 75 ASN C . 27642 1 67 . 1 1 14 14 ASN CA C 13 53.562 0.30 . . . . . . . 75 ASN CA . 27642 1 68 . 1 1 14 14 ASN CB C 13 39.344 0.30 . . . . . . . 75 ASN CB . 27642 1 69 . 1 1 14 14 ASN N N 15 114.231 0.30 . . . . . . . 75 ASN N . 27642 1 70 . 1 1 15 15 SER H H 1 7.56 0.03 . . . . . . . 76 SER H . 27642 1 71 . 1 1 15 15 SER C C 13 171.31 0.30 . . . . . . . 76 SER C . 27642 1 72 . 1 1 15 15 SER CA C 13 57.52 0.30 . . . . . . . 76 SER CA . 27642 1 73 . 1 1 15 15 SER CB C 13 63.46 0.30 . . . . . . . 76 SER CB . 27642 1 74 . 1 1 15 15 SER N N 15 117.551 0.30 . . . . . . . 76 SER N . 27642 1 75 . 1 1 16 16 VAL H H 1 7.096 0.03 . . . . . . . 77 VAL H . 27642 1 76 . 1 1 16 16 VAL C C 13 174.844 0.30 . . . . . . . 77 VAL C . 27642 1 77 . 1 1 16 16 VAL CA C 13 58.414 0.30 . . . . . . . 77 VAL CA . 27642 1 78 . 1 1 16 16 VAL CB C 13 34.481 0.30 . . . . . . . 77 VAL CB . 27642 1 79 . 1 1 16 16 VAL N N 15 117.056 0.30 . . . . . . . 77 VAL N . 27642 1 80 . 1 1 17 17 PRO CA C 13 62.68 0.30 . . . . . . . 78 PRO CA . 27642 1 81 . 1 1 17 17 PRO CB C 13 34.027 0.30 . . . . . . . 78 PRO CB . 27642 1 82 . 1 1 18 18 LEU H H 1 8.715 0.03 . . . . . . . 79 LEU H . 27642 1 83 . 1 1 18 18 LEU C C 13 175.633 0.30 . . . . . . . 79 LEU C . 27642 1 84 . 1 1 18 18 LEU CA C 13 55.299 0.30 . . . . . . . 79 LEU CA . 27642 1 85 . 1 1 18 18 LEU CB C 13 41.282 0.30 . . . . . . . 79 LEU CB . 27642 1 86 . 1 1 18 18 LEU N N 15 124.25 0.30 . . . . . . . 79 LEU N . 27642 1 87 . 1 1 19 19 SER H H 1 7.26 0.03 . . . . . . . 80 SER H . 27642 1 88 . 1 1 19 19 SER C C 13 174.076 0.30 . . . . . . . 80 SER C . 27642 1 89 . 1 1 19 19 SER CA C 13 56.177 0.30 . . . . . . . 80 SER CA . 27642 1 90 . 1 1 19 19 SER CB C 13 66.056 0.30 . . . . . . . 80 SER CB . 27642 1 91 . 1 1 19 19 SER N N 15 118.544 0.30 . . . . . . . 80 SER N . 27642 1 92 . 1 1 20 20 ASP CA C 13 57.945 0.30 . . . . . . . 81 ASP CA . 27642 1 93 . 1 1 20 20 ASP CB C 13 40.36 0.30 . . . . . . . 81 ASP CB . 27642 1 94 . 1 1 21 21 ALA H H 1 8.428 0.03 . . . . . . . 82 ALA H . 27642 1 95 . 1 1 21 21 ALA C C 13 181.117 0.30 . . . . . . . 82 ALA C . 27642 1 96 . 1 1 21 21 ALA CA C 13 55.242 0.30 . . . . . . . 82 ALA CA . 27642 1 97 . 1 1 21 21 ALA CB C 13 18.437 0.30 . . . . . . . 82 ALA CB . 27642 1 98 . 1 1 21 21 ALA N N 15 121.778 0.30 . . . . . . . 82 ALA N . 27642 1 99 . 1 1 22 22 LEU H H 1 7.778 0.03 . . . . . . . 83 LEU H . 27642 1 100 . 1 1 22 22 LEU C C 13 179.761 0.30 . . . . . . . 83 LEU C . 27642 1 101 . 1 1 22 22 LEU CA C 13 57.541 0.30 . . . . . . . 83 LEU CA . 27642 1 102 . 1 1 22 22 LEU CB C 13 42.214 0.30 . . . . . . . 83 LEU CB . 27642 1 103 . 1 1 22 22 LEU N N 15 119.034 0.30 . . . . . . . 83 LEU N . 27642 1 104 . 1 1 23 23 LEU H H 1 8.554 0.03 . . . . . . . 84 LEU H . 27642 1 105 . 1 1 23 23 LEU C C 13 177.899 0.30 . . . . . . . 84 LEU C . 27642 1 106 . 1 1 23 23 LEU CA C 13 58.204 0.30 . . . . . . . 84 LEU CA . 27642 1 107 . 1 1 23 23 LEU CB C 13 41.187 0.30 . . . . . . . 84 LEU CB . 27642 1 108 . 1 1 23 23 LEU N N 15 122.928 0.30 . . . . . . . 84 LEU N . 27642 1 109 . 1 1 24 24 ASN H H 1 8.077 0.03 . . . . . . . 85 ASN H . 27642 1 110 . 1 1 24 24 ASN C C 13 178.81 0.30 . . . . . . . 85 ASN C . 27642 1 111 . 1 1 24 24 ASN CA C 13 56.791 0.30 . . . . . . . 85 ASN CA . 27642 1 112 . 1 1 24 24 ASN CB C 13 38.142 0.30 . . . . . . . 85 ASN CB . 27642 1 113 . 1 1 24 24 ASN N N 15 116.897 0.30 . . . . . . . 85 ASN N . 27642 1 114 . 1 1 25 25 LYS H H 1 7.84 0.03 . . . . . . . 86 LYS H . 27642 1 115 . 1 1 25 25 LYS C C 13 179.064 0.30 . . . . . . . 86 LYS C . 27642 1 116 . 1 1 25 25 LYS CA C 13 59.308 0.30 . . . . . . . 86 LYS CA . 27642 1 117 . 1 1 25 25 LYS CB C 13 32.469 0.30 . . . . . . . 86 LYS CB . 27642 1 118 . 1 1 25 25 LYS N N 15 120.908 0.30 . . . . . . . 86 LYS N . 27642 1 119 . 1 1 26 26 LEU H H 1 8.234 0.03 . . . . . . . 87 LEU H . 27642 1 120 . 1 1 26 26 LEU C C 13 179.11 0.30 . . . . . . . 87 LEU C . 27642 1 121 . 1 1 26 26 LEU CA C 13 58.458 0.30 . . . . . . . 87 LEU CA . 27642 1 122 . 1 1 26 26 LEU CB C 13 42.667 0.30 . . . . . . . 87 LEU CB . 27642 1 123 . 1 1 26 26 LEU N N 15 122.49 0.30 . . . . . . . 87 LEU N . 27642 1 124 . 1 1 27 27 ILE H H 1 8.739 0.03 . . . . . . . 88 ILE H . 27642 1 125 . 1 1 27 27 ILE C C 13 178.444 0.30 . . . . . . . 88 ILE C . 27642 1 126 . 1 1 27 27 ILE CA C 13 66.355 0.30 . . . . . . . 88 ILE CA . 27642 1 127 . 1 1 27 27 ILE CB C 13 37.662 0.30 . . . . . . . 88 ILE CB . 27642 1 128 . 1 1 27 27 ILE N N 15 119.977 0.30 . . . . . . . 88 ILE N . 27642 1 129 . 1 1 28 28 GLY H H 1 8.079 0.03 . . . . . . . 89 GLY H . 27642 1 130 . 1 1 28 28 GLY C C 13 176.485 0.30 . . . . . . . 89 GLY C . 27642 1 131 . 1 1 28 28 GLY CA C 13 47.279 0.30 . . . . . . . 89 GLY CA . 27642 1 132 . 1 1 28 28 GLY N N 15 107.438 0.30 . . . . . . . 89 GLY N . 27642 1 133 . 1 1 29 29 ARG H H 1 7.881 0.03 . . . . . . . 90 ARG H . 27642 1 134 . 1 1 29 29 ARG C C 13 179.158 0.30 . . . . . . . 90 ARG C . 27642 1 135 . 1 1 29 29 ARG CA C 13 57.519 0.30 . . . . . . . 90 ARG CA . 27642 1 136 . 1 1 29 29 ARG CB C 13 28.829 0.30 . . . . . . . 90 ARG CB . 27642 1 137 . 1 1 29 29 ARG N N 15 122.904 0.30 . . . . . . . 90 ARG N . 27642 1 138 . 1 1 30 30 TYR H H 1 8.605 0.03 . . . . . . . 91 TYR H . 27642 1 139 . 1 1 30 30 TYR C C 13 178.271 0.30 . . . . . . . 91 TYR C . 27642 1 140 . 1 1 30 30 TYR CA C 13 63.462 0.30 . . . . . . . 91 TYR CA . 27642 1 141 . 1 1 30 30 TYR CB C 13 40.101 0.30 . . . . . . . 91 TYR CB . 27642 1 142 . 1 1 30 30 TYR N N 15 119.257 0.30 . . . . . . . 91 TYR N . 27642 1 143 . 1 1 31 31 SER H H 1 8.499 0.03 . . . . . . . 92 SER H . 27642 1 144 . 1 1 31 31 SER C C 13 176.445 0.30 . . . . . . . 92 SER C . 27642 1 145 . 1 1 31 31 SER CA C 13 61.959 0.30 . . . . . . . 92 SER CA . 27642 1 146 . 1 1 31 31 SER CB C 13 62.587 0.30 . . . . . . . 92 SER CB . 27642 1 147 . 1 1 31 31 SER N N 15 113.107 0.30 . . . . . . . 92 SER N . 27642 1 148 . 1 1 32 32 GLN H H 1 7.295 0.03 . . . . . . . 93 GLN H . 27642 1 149 . 1 1 32 32 GLN C C 13 177.981 0.30 . . . . . . . 93 GLN C . 27642 1 150 . 1 1 32 32 GLN CA C 13 58.738 0.30 . . . . . . . 93 GLN CA . 27642 1 151 . 1 1 32 32 GLN CB C 13 28.42 0.30 . . . . . . . 93 GLN CB . 27642 1 152 . 1 1 32 32 GLN N N 15 120.525 0.30 . . . . . . . 93 GLN N . 27642 1 153 . 1 1 33 33 ALA H H 1 6.993 0.03 . . . . . . . 94 ALA H . 27642 1 154 . 1 1 33 33 ALA C C 13 178.019 0.30 . . . . . . . 94 ALA C . 27642 1 155 . 1 1 33 33 ALA CA C 13 54.34 0.30 . . . . . . . 94 ALA CA . 27642 1 156 . 1 1 33 33 ALA CB C 13 18.077 0.30 . . . . . . . 94 ALA CB . 27642 1 157 . 1 1 33 33 ALA N N 15 123.614 0.30 . . . . . . . 94 ALA N . 27642 1 158 . 1 1 34 34 ILE H H 1 7.592 0.03 . . . . . . . 95 ILE H . 27642 1 159 . 1 1 34 34 ILE C C 13 179.371 0.30 . . . . . . . 95 ILE C . 27642 1 160 . 1 1 34 34 ILE CA C 13 63.602 0.30 . . . . . . . 95 ILE CA . 27642 1 161 . 1 1 34 34 ILE CB C 13 36.786 0.30 . . . . . . . 95 ILE CB . 27642 1 162 . 1 1 34 34 ILE N N 15 115.387 0.30 . . . . . . . 95 ILE N . 27642 1 163 . 1 1 35 35 GLU H H 1 7.599 0.03 . . . . . . . 96 GLU H . 27642 1 164 . 1 1 35 35 GLU C C 13 177.227 0.30 . . . . . . . 96 GLU C . 27642 1 165 . 1 1 35 35 GLU CA C 13 58.421 0.30 . . . . . . . 96 GLU CA . 27642 1 166 . 1 1 35 35 GLU CB C 13 29.497 0.30 . . . . . . . 96 GLU CB . 27642 1 167 . 1 1 35 35 GLU N N 15 118.77 0.30 . . . . . . . 96 GLU N . 27642 1 168 . 1 1 36 36 ALA H H 1 7.114 0.03 . . . . . . . 97 ALA H . 27642 1 169 . 1 1 36 36 ALA C C 13 177.468 0.30 . . . . . . . 97 ALA C . 27642 1 170 . 1 1 36 36 ALA CA C 13 52.84 0.30 . . . . . . . 97 ALA CA . 27642 1 171 . 1 1 36 36 ALA CB C 13 20.004 0.30 . . . . . . . 97 ALA CB . 27642 1 172 . 1 1 36 36 ALA N N 15 119.243 0.30 . . . . . . . 97 ALA N . 27642 1 173 . 1 1 37 37 LEU H H 1 6.981 0.03 . . . . . . . 98 LEU H . 27642 1 174 . 1 1 37 37 LEU C C 13 171.615 0.30 . . . . . . . 98 LEU C . 27642 1 175 . 1 1 37 37 LEU CA C 13 51.067 0.30 . . . . . . . 98 LEU CA . 27642 1 176 . 1 1 37 37 LEU CB C 13 43.906 0.30 . . . . . . . 98 LEU CB . 27642 1 177 . 1 1 37 37 LEU N N 15 120.313 0.30 . . . . . . . 98 LEU N . 27642 1 178 . 1 1 39 39 PRO CA C 13 64.833 0.30 . . . . . . . 100 PRO CA . 27642 1 179 . 1 1 39 39 PRO CB C 13 31.796 0.30 . . . . . . . 100 PRO CB . 27642 1 180 . 1 1 40 40 ASP H H 1 8.582 0.03 . . . . . . . 101 ASP H . 27642 1 181 . 1 1 40 40 ASP C C 13 177.362 0.30 . . . . . . . 101 ASP C . 27642 1 182 . 1 1 40 40 ASP CA C 13 55.898 0.30 . . . . . . . 101 ASP CA . 27642 1 183 . 1 1 40 40 ASP CB C 13 39.399 0.30 . . . . . . . 101 ASP CB . 27642 1 184 . 1 1 40 40 ASP N N 15 115.868 0.30 . . . . . . . 101 ASP N . 27642 1 185 . 1 1 41 41 LYS H H 1 7.103 0.03 . . . . . . . 102 LYS H . 27642 1 186 . 1 1 41 41 LYS C C 13 178.329 0.30 . . . . . . . 102 LYS C . 27642 1 187 . 1 1 41 41 LYS CA C 13 56.752 0.30 . . . . . . . 102 LYS CA . 27642 1 188 . 1 1 41 41 LYS CB C 13 33.606 0.30 . . . . . . . 102 LYS CB . 27642 1 189 . 1 1 41 41 LYS N N 15 117.347 0.30 . . . . . . . 102 LYS N . 27642 1 190 . 1 1 42 42 TYR H H 1 6.91 0.03 . . . . . . . 103 TYR H . 27642 1 191 . 1 1 42 42 TYR C C 13 175.49 0.30 . . . . . . . 103 TYR C . 27642 1 192 . 1 1 42 42 TYR CA C 13 58.236 0.30 . . . . . . . 103 TYR CA . 27642 1 193 . 1 1 42 42 TYR CB C 13 39.18 0.30 . . . . . . . 103 TYR CB . 27642 1 194 . 1 1 42 42 TYR N N 15 114.563 0.30 . . . . . . . 103 TYR N . 27642 1 195 . 1 1 43 43 GLY H H 1 8.017 0.03 . . . . . . . 104 GLY H . 27642 1 196 . 1 1 43 43 GLY C C 13 174.519 0.30 . . . . . . . 104 GLY C . 27642 1 197 . 1 1 43 43 GLY CA C 13 47.982 0.30 . . . . . . . 104 GLY CA . 27642 1 198 . 1 1 43 43 GLY N N 15 107.994 0.30 . . . . . . . 104 GLY N . 27642 1 199 . 1 1 44 44 GLN H H 1 8.255 0.03 . . . . . . . 105 GLN H . 27642 1 200 . 1 1 44 44 GLN C C 13 174.775 0.30 . . . . . . . 105 GLN C . 27642 1 201 . 1 1 44 44 GLN CA C 13 54.928 0.30 . . . . . . . 105 GLN CA . 27642 1 202 . 1 1 44 44 GLN CB C 13 28.171 0.30 . . . . . . . 105 GLN CB . 27642 1 203 . 1 1 44 44 GLN N N 15 114.982 0.30 . . . . . . . 105 GLN N . 27642 1 204 . 1 1 45 45 ASN H H 1 8.379 0.03 . . . . . . . 106 ASN H . 27642 1 205 . 1 1 45 45 ASN C C 13 174.958 0.30 . . . . . . . 106 ASN C . 27642 1 206 . 1 1 45 45 ASN CA C 13 53.656 0.30 . . . . . . . 106 ASN CA . 27642 1 207 . 1 1 45 45 ASN CB C 13 40.969 0.30 . . . . . . . 106 ASN CB . 27642 1 208 . 1 1 45 45 ASN N N 15 122.214 0.30 . . . . . . . 106 ASN N . 27642 1 209 . 1 1 46 46 GLU H H 1 9.413 0.03 . . . . . . . 107 GLU H . 27642 1 210 . 1 1 46 46 GLU C C 13 177.824 0.30 . . . . . . . 107 GLU C . 27642 1 211 . 1 1 46 46 GLU CA C 13 59.826 0.30 . . . . . . . 107 GLU CA . 27642 1 212 . 1 1 46 46 GLU CB C 13 30.171 0.30 . . . . . . . 107 GLU CB . 27642 1 213 . 1 1 46 46 GLU N N 15 130.008 0.30 . . . . . . . 107 GLU N . 27642 1 214 . 1 1 47 47 SER H H 1 8.116 0.03 . . . . . . . 108 SER H . 27642 1 215 . 1 1 47 47 SER C C 13 175.611 0.30 . . . . . . . 108 SER C . 27642 1 216 . 1 1 47 47 SER CA C 13 63.462 0.30 . . . . . . . 108 SER CA . 27642 1 217 . 1 1 47 47 SER CB C 13 61.502 0.30 . . . . . . . 108 SER CB . 27642 1 218 . 1 1 47 47 SER N N 15 115.945 0.30 . . . . . . . 108 SER N . 27642 1 219 . 1 1 48 48 PHE H H 1 8.654 0.03 . . . . . . . 109 PHE H . 27642 1 220 . 1 1 48 48 PHE C C 13 176.365 0.30 . . . . . . . 109 PHE C . 27642 1 221 . 1 1 48 48 PHE CA C 13 61.352 0.30 . . . . . . . 109 PHE CA . 27642 1 222 . 1 1 48 48 PHE CB C 13 39.431 0.30 . . . . . . . 109 PHE CB . 27642 1 223 . 1 1 48 48 PHE N N 15 122.687 0.30 . . . . . . . 109 PHE N . 27642 1 224 . 1 1 49 49 ALA H H 1 7.999 0.03 . . . . . . . 110 ALA H . 27642 1 225 . 1 1 49 49 ALA C C 13 179.39 0.30 . . . . . . . 110 ALA C . 27642 1 226 . 1 1 49 49 ALA CA C 13 55.807 0.30 . . . . . . . 110 ALA CA . 27642 1 227 . 1 1 49 49 ALA CB C 13 18.988 0.30 . . . . . . . 110 ALA CB . 27642 1 228 . 1 1 49 49 ALA N N 15 121.951 0.30 . . . . . . . 110 ALA N . 27642 1 229 . 1 1 50 50 ARG H H 1 8.26 0.03 . . . . . . . 111 ARG H . 27642 1 230 . 1 1 50 50 ARG C C 13 179.599 0.30 . . . . . . . 111 ARG C . 27642 1 231 . 1 1 50 50 ARG CA C 13 59.595 0.30 . . . . . . . 111 ARG CA . 27642 1 232 . 1 1 50 50 ARG CB C 13 29.968 0.30 . . . . . . . 111 ARG CB . 27642 1 233 . 1 1 50 50 ARG N N 15 117.246 0.30 . . . . . . . 111 ARG N . 27642 1 234 . 1 1 51 51 ILE H H 1 7.799 0.03 . . . . . . . 112 ILE H . 27642 1 235 . 1 1 51 51 ILE C C 13 176.861 0.30 . . . . . . . 112 ILE C . 27642 1 236 . 1 1 51 51 ILE CA C 13 66.077 0.30 . . . . . . . 112 ILE CA . 27642 1 237 . 1 1 51 51 ILE CB C 13 38.252 0.30 . . . . . . . 112 ILE CB . 27642 1 238 . 1 1 51 51 ILE N N 15 121.387 0.30 . . . . . . . 112 ILE N . 27642 1 239 . 1 1 52 52 GLN H H 1 7.855 0.03 . . . . . . . 113 GLN H . 27642 1 240 . 1 1 52 52 GLN C C 13 178.704 0.30 . . . . . . . 113 GLN C . 27642 1 241 . 1 1 52 52 GLN CA C 13 60.113 0.30 . . . . . . . 113 GLN CA . 27642 1 242 . 1 1 52 52 GLN CB C 13 28.231 0.30 . . . . . . . 113 GLN CB . 27642 1 243 . 1 1 52 52 GLN N N 15 117.163 0.30 . . . . . . . 113 GLN N . 27642 1 244 . 1 1 53 53 VAL H H 1 8.347 0.03 . . . . . . . 114 VAL H . 27642 1 245 . 1 1 53 53 VAL C C 13 176.365 0.30 . . . . . . . 114 VAL C . 27642 1 246 . 1 1 53 53 VAL CA C 13 66.023 0.30 . . . . . . . 114 VAL CA . 27642 1 247 . 1 1 53 53 VAL CB C 13 31.978 0.30 . . . . . . . 114 VAL CB . 27642 1 248 . 1 1 53 53 VAL N N 15 117.608 0.30 . . . . . . . 114 VAL N . 27642 1 249 . 1 1 54 54 ARG H H 1 7.972 0.03 . . . . . . . 115 ARG H . 27642 1 250 . 1 1 54 54 ARG C C 13 177.607 0.30 . . . . . . . 115 ARG C . 27642 1 251 . 1 1 54 54 ARG CA C 13 57.094 0.30 . . . . . . . 115 ARG CA . 27642 1 252 . 1 1 54 54 ARG CB C 13 28.78 0.30 . . . . . . . 115 ARG CB . 27642 1 253 . 1 1 54 54 ARG N N 15 120.601 0.30 . . . . . . . 115 ARG N . 27642 1 254 . 1 1 55 55 PHE H H 1 7.841 0.03 . . . . . . . 116 PHE H . 27642 1 255 . 1 1 55 55 PHE C C 13 175.714 0.30 . . . . . . . 116 PHE C . 27642 1 256 . 1 1 55 55 PHE CA C 13 60.253 0.30 . . . . . . . 116 PHE CA . 27642 1 257 . 1 1 55 55 PHE CB C 13 39.195 0.30 . . . . . . . 116 PHE CB . 27642 1 258 . 1 1 55 55 PHE N N 15 117.12 0.30 . . . . . . . 116 PHE N . 27642 1 259 . 1 1 56 56 ALA H H 1 6.652 0.03 . . . . . . . 117 ALA H . 27642 1 260 . 1 1 56 56 ALA C C 13 177.721 0.30 . . . . . . . 117 ALA C . 27642 1 261 . 1 1 56 56 ALA CA C 13 55.064 0.30 . . . . . . . 117 ALA CA . 27642 1 262 . 1 1 56 56 ALA CB C 13 14.709 0.30 . . . . . . . 117 ALA CB . 27642 1 263 . 1 1 56 56 ALA N N 15 119.104 0.30 . . . . . . . 117 ALA N . 27642 1 264 . 1 1 57 57 GLU H H 1 7.827 0.03 . . . . . . . 118 GLU H . 27642 1 265 . 1 1 57 57 GLU C C 13 180.222 0.30 . . . . . . . 118 GLU C . 27642 1 266 . 1 1 57 57 GLU CA C 13 59.214 0.30 . . . . . . . 118 GLU CA . 27642 1 267 . 1 1 57 57 GLU CB C 13 30.233 0.30 . . . . . . . 118 GLU CB . 27642 1 268 . 1 1 57 57 GLU N N 15 115.706 0.30 . . . . . . . 118 GLU N . 27642 1 269 . 1 1 58 58 LEU H H 1 8.296 0.03 . . . . . . . 119 LEU H . 27642 1 270 . 1 1 58 58 LEU C C 13 180.115 0.30 . . . . . . . 119 LEU C . 27642 1 271 . 1 1 58 58 LEU CA C 13 57.332 0.30 . . . . . . . 119 LEU CA . 27642 1 272 . 1 1 58 58 LEU CB C 13 41.792 0.30 . . . . . . . 119 LEU CB . 27642 1 273 . 1 1 58 58 LEU N N 15 119.636 0.30 . . . . . . . 119 LEU N . 27642 1 274 . 1 1 59 59 LYS H H 1 7.886 0.03 . . . . . . . 120 LYS H . 27642 1 275 . 1 1 59 59 LYS C C 13 178.062 0.30 . . . . . . . 120 LYS C . 27642 1 276 . 1 1 59 59 LYS CA C 13 57.503 0.30 . . . . . . . 120 LYS CA . 27642 1 277 . 1 1 59 59 LYS CB C 13 30.661 0.30 . . . . . . . 120 LYS CB . 27642 1 278 . 1 1 59 59 LYS N N 15 119.863 0.30 . . . . . . . 120 LYS N . 27642 1 279 . 1 1 60 60 ALA H H 1 7.841 0.03 . . . . . . . 121 ALA H . 27642 1 280 . 1 1 60 60 ALA C C 13 178.182 0.30 . . . . . . . 121 ALA C . 27642 1 281 . 1 1 60 60 ALA CA C 13 54.405 0.30 . . . . . . . 121 ALA CA . 27642 1 282 . 1 1 60 60 ALA CB C 13 18.26 0.30 . . . . . . . 121 ALA CB . 27642 1 283 . 1 1 60 60 ALA N N 15 119.499 0.30 . . . . . . . 121 ALA N . 27642 1 284 . 1 1 61 61 ILE H H 1 7.113 0.03 . . . . . . . 122 ILE H . 27642 1 285 . 1 1 61 61 ILE C C 13 177.68 0.30 . . . . . . . 122 ILE C . 27642 1 286 . 1 1 61 61 ILE CA C 13 64.368 0.30 . . . . . . . 122 ILE CA . 27642 1 287 . 1 1 61 61 ILE CB C 13 38.171 0.30 . . . . . . . 122 ILE CB . 27642 1 288 . 1 1 61 61 ILE N N 15 116.723 0.30 . . . . . . . 122 ILE N . 27642 1 289 . 1 1 62 62 GLN H H 1 7.617 0.03 . . . . . . . 123 GLN H . 27642 1 290 . 1 1 62 62 GLN C C 13 176.518 0.30 . . . . . . . 123 GLN C . 27642 1 291 . 1 1 62 62 GLN CA C 13 58.064 0.30 . . . . . . . 123 GLN CA . 27642 1 292 . 1 1 62 62 GLN CB C 13 30.822 0.30 . . . . . . . 123 GLN CB . 27642 1 293 . 1 1 62 62 GLN N N 15 117.542 0.30 . . . . . . . 123 GLN N . 27642 1 294 . 1 1 63 63 GLU H H 1 8.508 0.03 . . . . . . . 124 GLU H . 27642 1 295 . 1 1 63 63 GLU C C 13 173.176 0.30 . . . . . . . 124 GLU C . 27642 1 296 . 1 1 63 63 GLU CA C 13 53.724 0.30 . . . . . . . 124 GLU CA . 27642 1 297 . 1 1 63 63 GLU CB C 13 30.681 0.30 . . . . . . . 124 GLU CB . 27642 1 298 . 1 1 63 63 GLU N N 15 116.7 0.30 . . . . . . . 124 GLU N . 27642 1 299 . 1 1 64 64 PRO CA C 13 66.044 0.30 . . . . . . . 125 PRO CA . 27642 1 300 . 1 1 64 64 PRO CB C 13 31.951 0.30 . . . . . . . 125 PRO CB . 27642 1 301 . 1 1 65 65 ASP H H 1 8.709 0.03 . . . . . . . 126 ASP H . 27642 1 302 . 1 1 65 65 ASP C C 13 177.913 0.30 . . . . . . . 126 ASP C . 27642 1 303 . 1 1 65 65 ASP CA C 13 57.197 0.30 . . . . . . . 126 ASP CA . 27642 1 304 . 1 1 65 65 ASP CB C 13 40.405 0.30 . . . . . . . 126 ASP CB . 27642 1 305 . 1 1 65 65 ASP N N 15 115.434 0.30 . . . . . . . 126 ASP N . 27642 1 306 . 1 1 66 66 ASP H H 1 7.719 0.03 . . . . . . . 127 ASP H . 27642 1 307 . 1 1 66 66 ASP C C 13 176.845 0.30 . . . . . . . 127 ASP C . 27642 1 308 . 1 1 66 66 ASP CA C 13 54.79 0.30 . . . . . . . 127 ASP CA . 27642 1 309 . 1 1 66 66 ASP CB C 13 42.121 0.30 . . . . . . . 127 ASP CB . 27642 1 310 . 1 1 66 66 ASP N N 15 118.705 0.30 . . . . . . . 127 ASP N . 27642 1 311 . 1 1 67 67 ALA H H 1 7.579 0.03 . . . . . . . 128 ALA H . 27642 1 312 . 1 1 67 67 ALA C C 13 178.796 0.30 . . . . . . . 128 ALA C . 27642 1 313 . 1 1 67 67 ALA CA C 13 54.854 0.30 . . . . . . . 128 ALA CA . 27642 1 314 . 1 1 67 67 ALA CB C 13 19.203 0.30 . . . . . . . 128 ALA CB . 27642 1 315 . 1 1 67 67 ALA N N 15 120.268 0.30 . . . . . . . 128 ALA N . 27642 1 316 . 1 1 68 68 ARG H H 1 8.214 0.03 . . . . . . . 129 ARG H . 27642 1 317 . 1 1 68 68 ARG C C 13 177.525 0.30 . . . . . . . 129 ARG C . 27642 1 318 . 1 1 68 68 ARG CA C 13 61.297 0.30 . . . . . . . 129 ARG CA . 27642 1 319 . 1 1 68 68 ARG CB C 13 29.838 0.30 . . . . . . . 129 ARG CB . 27642 1 320 . 1 1 68 68 ARG N N 15 117.265 0.30 . . . . . . . 129 ARG N . 27642 1 321 . 1 1 69 69 ASP H H 1 7.807 0.03 . . . . . . . 130 ASP H . 27642 1 322 . 1 1 69 69 ASP C C 13 178.686 0.30 . . . . . . . 130 ASP C . 27642 1 323 . 1 1 69 69 ASP CA C 13 57.384 0.30 . . . . . . . 130 ASP CA . 27642 1 324 . 1 1 69 69 ASP CB C 13 39.739 0.30 . . . . . . . 130 ASP CB . 27642 1 325 . 1 1 69 69 ASP N N 15 117.054 0.30 . . . . . . . 130 ASP N . 27642 1 326 . 1 1 70 70 TYR H H 1 7.255 0.03 . . . . . . . 131 TYR H . 27642 1 327 . 1 1 70 70 TYR C C 13 179.277 0.30 . . . . . . . 131 TYR C . 27642 1 328 . 1 1 70 70 TYR CA C 13 61.462 0.30 . . . . . . . 131 TYR CA . 27642 1 329 . 1 1 70 70 TYR CB C 13 36.751 0.30 . . . . . . . 131 TYR CB . 27642 1 330 . 1 1 70 70 TYR N N 15 118.378 0.30 . . . . . . . 131 TYR N . 27642 1 331 . 1 1 71 71 PHE H H 1 7.726 0.03 . . . . . . . 132 PHE H . 27642 1 332 . 1 1 71 71 PHE C C 13 177.922 0.30 . . . . . . . 132 PHE C . 27642 1 333 . 1 1 71 71 PHE CA C 13 63.195 0.30 . . . . . . . 132 PHE CA . 27642 1 334 . 1 1 71 71 PHE CB C 13 37.07 0.30 . . . . . . . 132 PHE CB . 27642 1 335 . 1 1 71 71 PHE N N 15 122.066 0.30 . . . . . . . 132 PHE N . 27642 1 336 . 1 1 72 72 GLN H H 1 7.86 0.03 . . . . . . . 133 GLN H . 27642 1 337 . 1 1 72 72 GLN C C 13 178.99 0.30 . . . . . . . 133 GLN C . 27642 1 338 . 1 1 72 72 GLN CA C 13 58.992 0.30 . . . . . . . 133 GLN CA . 27642 1 339 . 1 1 72 72 GLN CB C 13 27.463 0.30 . . . . . . . 133 GLN CB . 27642 1 340 . 1 1 72 72 GLN N N 15 118.197 0.30 . . . . . . . 133 GLN N . 27642 1 341 . 1 1 73 73 MET H H 1 7.623 0.03 . . . . . . . 134 MET H . 27642 1 342 . 1 1 73 73 MET C C 13 177.188 0.30 . . . . . . . 134 MET C . 27642 1 343 . 1 1 73 73 MET CA C 13 58.76 0.30 . . . . . . . 134 MET CA . 27642 1 344 . 1 1 73 73 MET CB C 13 32.911 0.30 . . . . . . . 134 MET CB . 27642 1 345 . 1 1 73 73 MET N N 15 119.757 0.30 . . . . . . . 134 MET N . 27642 1 346 . 1 1 74 74 ALA H H 1 7.586 0.03 . . . . . . . 135 ALA H . 27642 1 347 . 1 1 74 74 ALA C C 13 178.688 0.30 . . . . . . . 135 ALA C . 27642 1 348 . 1 1 74 74 ALA CA C 13 55.063 0.30 . . . . . . . 135 ALA CA . 27642 1 349 . 1 1 74 74 ALA CB C 13 17.391 0.30 . . . . . . . 135 ALA CB . 27642 1 350 . 1 1 74 74 ALA N N 15 120.981 0.30 . . . . . . . 135 ALA N . 27642 1 351 . 1 1 75 75 ARG H H 1 8.058 0.03 . . . . . . . 136 ARG H . 27642 1 352 . 1 1 75 75 ARG C C 13 176.129 0.30 . . . . . . . 136 ARG C . 27642 1 353 . 1 1 75 75 ARG CA C 13 59.418 0.30 . . . . . . . 136 ARG CA . 27642 1 354 . 1 1 75 75 ARG CB C 13 29.908 0.30 . . . . . . . 136 ARG CB . 27642 1 355 . 1 1 75 75 ARG N N 15 116.389 0.30 . . . . . . . 136 ARG N . 27642 1 356 . 1 1 76 76 ALA H H 1 7.843 0.03 . . . . . . . 137 ALA H . 27642 1 357 . 1 1 76 76 ALA C C 13 180.258 0.30 . . . . . . . 137 ALA C . 27642 1 358 . 1 1 76 76 ALA CA C 13 54.598 0.30 . . . . . . . 137 ALA CA . 27642 1 359 . 1 1 76 76 ALA CB C 13 18.472 0.30 . . . . . . . 137 ALA CB . 27642 1 360 . 1 1 76 76 ALA N N 15 118.942 0.30 . . . . . . . 137 ALA N . 27642 1 361 . 1 1 77 77 ASN H H 1 8.249 0.03 . . . . . . . 138 ASN H . 27642 1 362 . 1 1 77 77 ASN C C 13 177.915 0.30 . . . . . . . 138 ASN C . 27642 1 363 . 1 1 77 77 ASN CA C 13 54.995 0.30 . . . . . . . 138 ASN CA . 27642 1 364 . 1 1 77 77 ASN CB C 13 40.056 0.30 . . . . . . . 138 ASN CB . 27642 1 365 . 1 1 77 77 ASN N N 15 113.992 0.30 . . . . . . . 138 ASN N . 27642 1 366 . 1 1 78 78 CYS H H 1 8.028 0.03 . . . . . . . 139 CYS H . 27642 1 367 . 1 1 78 78 CYS C C 13 175.687 0.30 . . . . . . . 139 CYS C . 27642 1 368 . 1 1 78 78 CYS CA C 13 57.101 0.30 . . . . . . . 139 CYS CA . 27642 1 369 . 1 1 78 78 CYS CB C 13 29.961 0.30 . . . . . . . 139 CYS CB . 27642 1 370 . 1 1 78 78 CYS N N 15 118.673 0.30 . . . . . . . 139 CYS N . 27642 1 371 . 1 1 79 79 LYS H H 1 6.809 0.03 . . . . . . . 140 LYS H . 27642 1 372 . 1 1 79 79 LYS C C 13 178.21 0.30 . . . . . . . 140 LYS C . 27642 1 373 . 1 1 79 79 LYS CA C 13 59.111 0.30 . . . . . . . 140 LYS CA . 27642 1 374 . 1 1 79 79 LYS CB C 13 33.293 0.30 . . . . . . . 140 LYS CB . 27642 1 375 . 1 1 79 79 LYS N N 15 116.829 0.30 . . . . . . . 140 LYS N . 27642 1 376 . 1 1 80 80 LYS H H 1 8.383 0.03 . . . . . . . 141 LYS H . 27642 1 377 . 1 1 80 80 LYS C C 13 175.569 0.30 . . . . . . . 141 LYS C . 27642 1 378 . 1 1 80 80 LYS CA C 13 57.947 0.30 . . . . . . . 141 LYS CA . 27642 1 379 . 1 1 80 80 LYS CB C 13 32.504 0.30 . . . . . . . 141 LYS CB . 27642 1 380 . 1 1 80 80 LYS N N 15 119.745 0.30 . . . . . . . 141 LYS N . 27642 1 381 . 1 1 81 81 PHE H H 1 7.357 0.03 . . . . . . . 142 PHE H . 27642 1 382 . 1 1 81 81 PHE C C 13 176.818 0.30 . . . . . . . 142 PHE C . 27642 1 383 . 1 1 81 81 PHE CA C 13 58.439 0.30 . . . . . . . 142 PHE CA . 27642 1 384 . 1 1 81 81 PHE CB C 13 39.378 0.30 . . . . . . . 142 PHE CB . 27642 1 385 . 1 1 81 81 PHE N N 15 114.486 0.30 . . . . . . . 142 PHE N . 27642 1 386 . 1 1 82 82 ALA H H 1 9.472 0.03 . . . . . . . 143 ALA H . 27642 1 387 . 1 1 82 82 ALA C C 13 179.554 0.30 . . . . . . . 143 ALA C . 27642 1 388 . 1 1 82 82 ALA CA C 13 56.763 0.30 . . . . . . . 143 ALA CA . 27642 1 389 . 1 1 82 82 ALA CB C 13 18.498 0.30 . . . . . . . 143 ALA CB . 27642 1 390 . 1 1 82 82 ALA N N 15 128.78 0.30 . . . . . . . 143 ALA N . 27642 1 391 . 1 1 83 83 PHE H H 1 9.218 0.03 . . . . . . . 144 PHE H . 27642 1 392 . 1 1 83 83 PHE C C 13 177.089 0.30 . . . . . . . 144 PHE C . 27642 1 393 . 1 1 83 83 PHE CA C 13 60.795 0.30 . . . . . . . 144 PHE CA . 27642 1 394 . 1 1 83 83 PHE CB C 13 37.295 0.30 . . . . . . . 144 PHE CB . 27642 1 395 . 1 1 83 83 PHE N N 15 113.385 0.30 . . . . . . . 144 PHE N . 27642 1 396 . 1 1 84 84 VAL H H 1 7.132 0.03 . . . . . . . 145 VAL H . 27642 1 397 . 1 1 84 84 VAL C C 13 177.078 0.30 . . . . . . . 145 VAL C . 27642 1 398 . 1 1 84 84 VAL CA C 13 65.338 0.30 . . . . . . . 145 VAL CA . 27642 1 399 . 1 1 84 84 VAL CB C 13 31.316 0.30 . . . . . . . 145 VAL CB . 27642 1 400 . 1 1 84 84 VAL N N 15 124.528 0.30 . . . . . . . 145 VAL N . 27642 1 401 . 1 1 85 85 HIS H H 1 6.686 0.03 . . . . . . . 146 HIS H . 27642 1 402 . 1 1 85 85 HIS C C 13 178.169 0.30 . . . . . . . 146 HIS C . 27642 1 403 . 1 1 85 85 HIS CA C 13 59.379 0.30 . . . . . . . 146 HIS CA . 27642 1 404 . 1 1 85 85 HIS CB C 13 31.732 0.30 . . . . . . . 146 HIS CB . 27642 1 405 . 1 1 85 85 HIS N N 15 118.734 0.30 . . . . . . . 146 HIS N . 27642 1 406 . 1 1 86 86 ILE H H 1 8.347 0.03 . . . . . . . 147 ILE H . 27642 1 407 . 1 1 86 86 ILE C C 13 176.491 0.30 . . . . . . . 147 ILE C . 27642 1 408 . 1 1 86 86 ILE CA C 13 65.266 0.30 . . . . . . . 147 ILE CA . 27642 1 409 . 1 1 86 86 ILE CB C 13 38.152 0.30 . . . . . . . 147 ILE CB . 27642 1 410 . 1 1 86 86 ILE N N 15 117.631 0.30 . . . . . . . 147 ILE N . 27642 1 411 . 1 1 87 87 SER H H 1 7.933 0.03 . . . . . . . 148 SER H . 27642 1 412 . 1 1 87 87 SER C C 13 178.952 0.30 . . . . . . . 148 SER C . 27642 1 413 . 1 1 87 87 SER CA C 13 62.709 0.30 . . . . . . . 148 SER CA . 27642 1 414 . 1 1 87 87 SER CB C 13 60.639 0.30 . . . . . . . 148 SER CB . 27642 1 415 . 1 1 87 87 SER N N 15 115.854 0.30 . . . . . . . 148 SER N . 27642 1 416 . 1 1 88 88 PHE CA C 13 56.671 0.30 . . . . . . . 149 PHE CA . 27642 1 417 . 1 1 88 88 PHE CB C 13 37.636 0.30 . . . . . . . 149 PHE CB . 27642 1 418 . 1 1 89 89 ALA H H 1 8.697 0.03 . . . . . . . 150 ALA H . 27642 1 419 . 1 1 89 89 ALA C C 13 180.386 0.30 . . . . . . . 150 ALA C . 27642 1 420 . 1 1 89 89 ALA CA C 13 55.834 0.30 . . . . . . . 150 ALA CA . 27642 1 421 . 1 1 89 89 ALA CB C 13 18.156 0.30 . . . . . . . 150 ALA CB . 27642 1 422 . 1 1 89 89 ALA N N 15 122.63 0.30 . . . . . . . 150 ALA N . 27642 1 423 . 1 1 90 90 GLN H H 1 9.427 0.03 . . . . . . . 151 GLN H . 27642 1 424 . 1 1 90 90 GLN C C 13 177.162 0.30 . . . . . . . 151 GLN C . 27642 1 425 . 1 1 90 90 GLN CA C 13 58.158 0.30 . . . . . . . 151 GLN CA . 27642 1 426 . 1 1 90 90 GLN CB C 13 28.948 0.30 . . . . . . . 151 GLN CB . 27642 1 427 . 1 1 90 90 GLN N N 15 123.432 0.30 . . . . . . . 151 GLN N . 27642 1 428 . 1 1 91 91 PHE H H 1 7.975 0.03 . . . . . . . 152 PHE H . 27642 1 429 . 1 1 91 91 PHE C C 13 178.697 0.30 . . . . . . . 152 PHE C . 27642 1 430 . 1 1 91 91 PHE CA C 13 60.783 0.30 . . . . . . . 152 PHE CA . 27642 1 431 . 1 1 91 91 PHE CB C 13 38.158 0.30 . . . . . . . 152 PHE CB . 27642 1 432 . 1 1 91 91 PHE N N 15 122.853 0.30 . . . . . . . 152 PHE N . 27642 1 433 . 1 1 92 92 GLU H H 1 8.131 0.03 . . . . . . . 153 GLU H . 27642 1 434 . 1 1 92 92 GLU C C 13 179.408 0.30 . . . . . . . 153 GLU C . 27642 1 435 . 1 1 92 92 GLU CA C 13 58.284 0.30 . . . . . . . 153 GLU CA . 27642 1 436 . 1 1 92 92 GLU CB C 13 28.041 0.30 . . . . . . . 153 GLU CB . 27642 1 437 . 1 1 92 92 GLU N N 15 118.349 0.30 . . . . . . . 153 GLU N . 27642 1 438 . 1 1 93 93 LEU H H 1 8.164 0.03 . . . . . . . 154 LEU H . 27642 1 439 . 1 1 93 93 LEU C C 13 181.211 0.30 . . . . . . . 154 LEU C . 27642 1 440 . 1 1 93 93 LEU CA C 13 58.584 0.30 . . . . . . . 154 LEU CA . 27642 1 441 . 1 1 93 93 LEU CB C 13 42.077 0.30 . . . . . . . 154 LEU CB . 27642 1 442 . 1 1 93 93 LEU N N 15 122.462 0.30 . . . . . . . 154 LEU N . 27642 1 443 . 1 1 94 94 SER H H 1 8.661 0.03 . . . . . . . 155 SER H . 27642 1 444 . 1 1 94 94 SER C C 13 175.277 0.30 . . . . . . . 155 SER C . 27642 1 445 . 1 1 94 94 SER CA C 13 61.613 0.30 . . . . . . . 155 SER CA . 27642 1 446 . 1 1 94 94 SER CB C 13 63.027 0.30 . . . . . . . 155 SER CB . 27642 1 447 . 1 1 94 94 SER N N 15 118.33 0.30 . . . . . . . 155 SER N . 27642 1 448 . 1 1 95 95 GLN H H 1 7.171 0.03 . . . . . . . 156 GLN H . 27642 1 449 . 1 1 95 95 GLN C C 13 175.489 0.30 . . . . . . . 156 GLN C . 27642 1 450 . 1 1 95 95 GLN CA C 13 54.949 0.30 . . . . . . . 156 GLN CA . 27642 1 451 . 1 1 95 95 GLN CB C 13 28.995 0.30 . . . . . . . 156 GLN CB . 27642 1 452 . 1 1 95 95 GLN N N 15 118.428 0.30 . . . . . . . 156 GLN N . 27642 1 453 . 1 1 96 96 GLY H H 1 7.941 0.03 . . . . . . . 157 GLY H . 27642 1 454 . 1 1 96 96 GLY C C 13 174.578 0.30 . . . . . . . 157 GLY C . 27642 1 455 . 1 1 96 96 GLY CA C 13 44.872 0.30 . . . . . . . 157 GLY CA . 27642 1 456 . 1 1 96 96 GLY N N 15 106.883 0.30 . . . . . . . 157 GLY N . 27642 1 457 . 1 1 97 97 ASN H H 1 8.211 0.03 . . . . . . . 158 ASN H . 27642 1 458 . 1 1 97 97 ASN C C 13 175.078 0.30 . . . . . . . 158 ASN C . 27642 1 459 . 1 1 97 97 ASN CA C 13 51.271 0.30 . . . . . . . 158 ASN CA . 27642 1 460 . 1 1 97 97 ASN CB C 13 36.909 0.30 . . . . . . . 158 ASN CB . 27642 1 461 . 1 1 97 97 ASN N N 15 122.375 0.30 . . . . . . . 158 ASN N . 27642 1 462 . 1 1 98 98 VAL H H 1 7.52 0.03 . . . . . . . 159 VAL H . 27642 1 463 . 1 1 98 98 VAL C C 13 177.576 0.30 . . . . . . . 159 VAL C . 27642 1 464 . 1 1 98 98 VAL CA C 13 66.364 0.30 . . . . . . . 159 VAL CA . 27642 1 465 . 1 1 98 98 VAL CB C 13 31.783 0.30 . . . . . . . 159 VAL CB . 27642 1 466 . 1 1 98 98 VAL N N 15 121.588 0.30 . . . . . . . 159 VAL N . 27642 1 467 . 1 1 99 99 LYS H H 1 8.296 0.03 . . . . . . . 160 LYS H . 27642 1 468 . 1 1 99 99 LYS C C 13 179.398 0.30 . . . . . . . 160 LYS C . 27642 1 469 . 1 1 99 99 LYS CA C 13 59.894 0.30 . . . . . . . 160 LYS CA . 27642 1 470 . 1 1 99 99 LYS CB C 13 31.656 0.30 . . . . . . . 160 LYS CB . 27642 1 471 . 1 1 99 99 LYS N N 15 120.159 0.30 . . . . . . . 160 LYS N . 27642 1 472 . 1 1 100 100 LYS H H 1 7.59 0.03 . . . . . . . 161 LYS H . 27642 1 473 . 1 1 100 100 LYS C C 13 178.067 0.30 . . . . . . . 161 LYS C . 27642 1 474 . 1 1 100 100 LYS CA C 13 58.041 0.30 . . . . . . . 161 LYS CA . 27642 1 475 . 1 1 100 100 LYS CB C 13 32.107 0.30 . . . . . . . 161 LYS CB . 27642 1 476 . 1 1 100 100 LYS N N 15 119.818 0.30 . . . . . . . 161 LYS N . 27642 1 477 . 1 1 101 101 SER H H 1 7.81 0.03 . . . . . . . 162 SER H . 27642 1 478 . 1 1 101 101 SER C C 13 178.062 0.30 . . . . . . . 162 SER C . 27642 1 479 . 1 1 101 101 SER CA C 13 63.49 0.30 . . . . . . . 162 SER CA . 27642 1 480 . 1 1 101 101 SER CB C 13 61.232 0.30 . . . . . . . 162 SER CB . 27642 1 481 . 1 1 101 101 SER N N 15 113.52 0.30 . . . . . . . 162 SER N . 27642 1 482 . 1 1 102 102 LYS H H 1 7.81 0.03 . . . . . . . 163 LYS H . 27642 1 483 . 1 1 102 102 LYS C C 13 178.136 0.30 . . . . . . . 163 LYS C . 27642 1 484 . 1 1 102 102 LYS CA C 13 60.331 0.30 . . . . . . . 163 LYS CA . 27642 1 485 . 1 1 102 102 LYS CB C 13 32.439 0.30 . . . . . . . 163 LYS CB . 27642 1 486 . 1 1 102 102 LYS N N 15 117.607 0.30 . . . . . . . 163 LYS N . 27642 1 487 . 1 1 103 103 GLN H H 1 7.896 0.03 . . . . . . . 164 GLN H . 27642 1 488 . 1 1 103 103 GLN C C 13 178.885 0.30 . . . . . . . 164 GLN C . 27642 1 489 . 1 1 103 103 GLN CA C 13 59.143 0.30 . . . . . . . 164 GLN CA . 27642 1 490 . 1 1 103 103 GLN CB C 13 28.564 0.30 . . . . . . . 164 GLN CB . 27642 1 491 . 1 1 103 103 GLN N N 15 118.086 0.30 . . . . . . . 164 GLN N . 27642 1 492 . 1 1 104 104 LEU H H 1 8.341 0.03 . . . . . . . 165 LEU H . 27642 1 493 . 1 1 104 104 LEU C C 13 180.75 0.30 . . . . . . . 165 LEU C . 27642 1 494 . 1 1 104 104 LEU CA C 13 58.166 0.30 . . . . . . . 165 LEU CA . 27642 1 495 . 1 1 104 104 LEU CB C 13 42.718 0.30 . . . . . . . 165 LEU CB . 27642 1 496 . 1 1 104 104 LEU N N 15 119.587 0.30 . . . . . . . 165 LEU N . 27642 1 497 . 1 1 105 105 LEU H H 1 7.534 0.03 . . . . . . . 166 LEU H . 27642 1 498 . 1 1 105 105 LEU C C 13 178.188 0.30 . . . . . . . 166 LEU C . 27642 1 499 . 1 1 105 105 LEU CA C 13 57.645 0.30 . . . . . . . 166 LEU CA . 27642 1 500 . 1 1 105 105 LEU CB C 13 41.84 0.30 . . . . . . . 166 LEU CB . 27642 1 501 . 1 1 105 105 LEU N N 15 118.448 0.30 . . . . . . . 166 LEU N . 27642 1 502 . 1 1 106 106 GLN H H 1 8.585 0.03 . . . . . . . 167 GLN H . 27642 1 503 . 1 1 106 106 GLN C C 13 179.804 0.30 . . . . . . . 167 GLN C . 27642 1 504 . 1 1 106 106 GLN CA C 13 59.375 0.30 . . . . . . . 167 GLN CA . 27642 1 505 . 1 1 106 106 GLN CB C 13 28.246 0.30 . . . . . . . 167 GLN CB . 27642 1 506 . 1 1 106 106 GLN N N 15 117.941 0.30 . . . . . . . 167 GLN N . 27642 1 507 . 1 1 107 107 LYS H H 1 8.502 0.03 . . . . . . . 168 LYS H . 27642 1 508 . 1 1 107 107 LYS C C 13 178.1 0.30 . . . . . . . 168 LYS C . 27642 1 509 . 1 1 107 107 LYS CA C 13 57.941 0.30 . . . . . . . 168 LYS CA . 27642 1 510 . 1 1 107 107 LYS CB C 13 31.323 0.30 . . . . . . . 168 LYS CB . 27642 1 511 . 1 1 107 107 LYS N N 15 119.416 0.30 . . . . . . . 168 LYS N . 27642 1 512 . 1 1 108 108 ALA H H 1 7.308 0.03 . . . . . . . 169 ALA H . 27642 1 513 . 1 1 108 108 ALA C C 13 178.766 0.30 . . . . . . . 169 ALA C . 27642 1 514 . 1 1 108 108 ALA CA C 13 55.186 0.30 . . . . . . . 169 ALA CA . 27642 1 515 . 1 1 108 108 ALA CB C 13 18.783 0.30 . . . . . . . 169 ALA CB . 27642 1 516 . 1 1 108 108 ALA N N 15 121.896 0.30 . . . . . . . 169 ALA N . 27642 1 517 . 1 1 109 109 VAL H H 1 7.598 0.03 . . . . . . . 170 VAL H . 27642 1 518 . 1 1 109 109 VAL C C 13 180.138 0.30 . . . . . . . 170 VAL C . 27642 1 519 . 1 1 109 109 VAL CA C 13 66.478 0.30 . . . . . . . 170 VAL CA . 27642 1 520 . 1 1 109 109 VAL CB C 13 31.888 0.30 . . . . . . . 170 VAL CB . 27642 1 521 . 1 1 109 109 VAL N N 15 118.024 0.30 . . . . . . . 170 VAL N . 27642 1 522 . 1 1 110 110 GLU H H 1 7.879 0.03 . . . . . . . 171 GLU H . 27642 1 523 . 1 1 110 110 GLU C C 13 178.566 0.30 . . . . . . . 171 GLU C . 27642 1 524 . 1 1 110 110 GLU CA C 13 59.189 0.30 . . . . . . . 171 GLU CA . 27642 1 525 . 1 1 110 110 GLU CB C 13 29.848 0.30 . . . . . . . 171 GLU CB . 27642 1 526 . 1 1 110 110 GLU N N 15 120.914 0.30 . . . . . . . 171 GLU N . 27642 1 527 . 1 1 111 111 ARG H H 1 7.9 0.03 . . . . . . . 172 ARG H . 27642 1 528 . 1 1 111 111 ARG C C 13 176.83 0.30 . . . . . . . 172 ARG C . 27642 1 529 . 1 1 111 111 ARG CA C 13 55.457 0.30 . . . . . . . 172 ARG CA . 27642 1 530 . 1 1 111 111 ARG CB C 13 29.75 0.30 . . . . . . . 172 ARG CB . 27642 1 531 . 1 1 111 111 ARG N N 15 114.838 0.30 . . . . . . . 172 ARG N . 27642 1 532 . 1 1 112 112 GLY H H 1 7.706 0.03 . . . . . . . 173 GLY H . 27642 1 533 . 1 1 112 112 GLY C C 13 174.813 0.30 . . . . . . . 173 GLY C . 27642 1 534 . 1 1 112 112 GLY CA C 13 46.601 0.30 . . . . . . . 173 GLY CA . 27642 1 535 . 1 1 112 112 GLY N N 15 108.73 0.30 . . . . . . . 173 GLY N . 27642 1 536 . 1 1 113 113 ALA H H 1 7.566 0.03 . . . . . . . 174 ALA H . 27642 1 537 . 1 1 113 113 ALA C C 13 175.999 0.30 . . . . . . . 174 ALA C . 27642 1 538 . 1 1 113 113 ALA CA C 13 52.878 0.30 . . . . . . . 174 ALA CA . 27642 1 539 . 1 1 113 113 ALA CB C 13 18.281 0.30 . . . . . . . 174 ALA CB . 27642 1 540 . 1 1 113 113 ALA N N 15 122.358 0.30 . . . . . . . 174 ALA N . 27642 1 541 . 1 1 114 114 VAL H H 1 8.344 0.03 . . . . . . . 175 VAL H . 27642 1 542 . 1 1 114 114 VAL C C 13 175.642 0.30 . . . . . . . 175 VAL C . 27642 1 543 . 1 1 114 114 VAL CA C 13 58.387 0.30 . . . . . . . 175 VAL CA . 27642 1 544 . 1 1 114 114 VAL CB C 13 34.363 0.30 . . . . . . . 175 VAL CB . 27642 1 545 . 1 1 114 114 VAL N N 15 109.169 0.30 . . . . . . . 175 VAL N . 27642 1 546 . 1 1 115 115 PRO CA C 13 62.633 0.30 . . . . . . . 176 PRO CA . 27642 1 547 . 1 1 115 115 PRO CB C 13 33.942 0.30 . . . . . . . 176 PRO CB . 27642 1 548 . 1 1 116 116 LEU H H 1 9.185 0.03 . . . . . . . 177 LEU H . 27642 1 549 . 1 1 116 116 LEU C C 13 179.247 0.30 . . . . . . . 177 LEU C . 27642 1 550 . 1 1 116 116 LEU CA C 13 58.242 0.30 . . . . . . . 177 LEU CA . 27642 1 551 . 1 1 116 116 LEU CB C 13 41.618 0.30 . . . . . . . 177 LEU CB . 27642 1 552 . 1 1 116 116 LEU N N 15 128.89 0.30 . . . . . . . 177 LEU N . 27642 1 553 . 1 1 117 117 GLU H H 1 9.536 0.03 . . . . . . . 178 GLU H . 27642 1 554 . 1 1 117 117 GLU C C 13 178.701 0.30 . . . . . . . 178 GLU C . 27642 1 555 . 1 1 117 117 GLU CA C 13 59.946 0.30 . . . . . . . 178 GLU CA . 27642 1 556 . 1 1 117 117 GLU CB C 13 29.474 0.30 . . . . . . . 178 GLU CB . 27642 1 557 . 1 1 117 117 GLU N N 15 117.285 0.30 . . . . . . . 178 GLU N . 27642 1 558 . 1 1 118 118 MET H H 1 7.077 0.03 . . . . . . . 179 MET H . 27642 1 559 . 1 1 118 118 MET C C 13 177.532 0.30 . . . . . . . 179 MET C . 27642 1 560 . 1 1 118 118 MET CA C 13 59.192 0.30 . . . . . . . 179 MET CA . 27642 1 561 . 1 1 118 118 MET CB C 13 34.573 0.30 . . . . . . . 179 MET CB . 27642 1 562 . 1 1 118 118 MET N N 15 114.358 0.30 . . . . . . . 179 MET N . 27642 1 563 . 1 1 119 119 LEU H H 1 6.916 0.03 . . . . . . . 180 LEU H . 27642 1 564 . 1 1 119 119 LEU C C 13 178.118 0.30 . . . . . . . 180 LEU C . 27642 1 565 . 1 1 119 119 LEU CA C 13 57.659 0.30 . . . . . . . 180 LEU CA . 27642 1 566 . 1 1 119 119 LEU CB C 13 41.667 0.30 . . . . . . . 180 LEU CB . 27642 1 567 . 1 1 119 119 LEU N N 15 117.291 0.30 . . . . . . . 180 LEU N . 27642 1 568 . 1 1 120 120 GLU H H 1 8.046 0.03 . . . . . . . 181 GLU H . 27642 1 569 . 1 1 120 120 GLU C C 13 180.071 0.30 . . . . . . . 181 GLU C . 27642 1 570 . 1 1 120 120 GLU CA C 13 59.823 0.30 . . . . . . . 181 GLU CA . 27642 1 571 . 1 1 120 120 GLU CB C 13 29.437 0.30 . . . . . . . 181 GLU CB . 27642 1 572 . 1 1 120 120 GLU N N 15 117.696 0.30 . . . . . . . 181 GLU N . 27642 1 573 . 1 1 121 121 ILE H H 1 7.797 0.03 . . . . . . . 182 ILE H . 27642 1 574 . 1 1 121 121 ILE C C 13 177.002 0.30 . . . . . . . 182 ILE C . 27642 1 575 . 1 1 121 121 ILE CA C 13 65.206 0.30 . . . . . . . 182 ILE CA . 27642 1 576 . 1 1 121 121 ILE CB C 13 38.382 0.30 . . . . . . . 182 ILE CB . 27642 1 577 . 1 1 121 121 ILE N N 15 120.996 0.30 . . . . . . . 182 ILE N . 27642 1 578 . 1 1 122 122 ALA H H 1 7.606 0.03 . . . . . . . 183 ALA H . 27642 1 579 . 1 1 122 122 ALA C C 13 179.329 0.30 . . . . . . . 183 ALA C . 27642 1 580 . 1 1 122 122 ALA CA C 13 54.825 0.30 . . . . . . . 183 ALA CA . 27642 1 581 . 1 1 122 122 ALA CB C 13 19.388 0.30 . . . . . . . 183 ALA CB . 27642 1 582 . 1 1 122 122 ALA N N 15 121.448 0.30 . . . . . . . 183 ALA N . 27642 1 583 . 1 1 123 123 LEU H H 1 8.424 0.03 . . . . . . . 184 LEU H . 27642 1 584 . 1 1 123 123 LEU C C 13 179.154 0.30 . . . . . . . 184 LEU C . 27642 1 585 . 1 1 123 123 LEU CA C 13 58.178 0.30 . . . . . . . 184 LEU CA . 27642 1 586 . 1 1 123 123 LEU CB C 13 42.234 0.30 . . . . . . . 184 LEU CB . 27642 1 587 . 1 1 123 123 LEU N N 15 117.645 0.30 . . . . . . . 184 LEU N . 27642 1 588 . 1 1 124 124 ARG H H 1 7.896 0.03 . . . . . . . 185 ARG H . 27642 1 589 . 1 1 124 124 ARG C C 13 178.971 0.30 . . . . . . . 185 ARG C . 27642 1 590 . 1 1 124 124 ARG CA C 13 59.586 0.30 . . . . . . . 185 ARG CA . 27642 1 591 . 1 1 124 124 ARG CB C 13 29.684 0.30 . . . . . . . 185 ARG CB . 27642 1 592 . 1 1 124 124 ARG N N 15 121.274 0.30 . . . . . . . 185 ARG N . 27642 1 593 . 1 1 125 125 ASN H H 1 8.539 0.03 . . . . . . . 186 ASN H . 27642 1 594 . 1 1 125 125 ASN C C 13 177.955 0.30 . . . . . . . 186 ASN C . 27642 1 595 . 1 1 125 125 ASN CA C 13 55.765 0.30 . . . . . . . 186 ASN CA . 27642 1 596 . 1 1 125 125 ASN CB C 13 37.252 0.30 . . . . . . . 186 ASN CB . 27642 1 597 . 1 1 125 125 ASN N N 15 118.919 0.30 . . . . . . . 186 ASN N . 27642 1 598 . 1 1 126 126 LEU H H 1 8.518 0.03 . . . . . . . 187 LEU H . 27642 1 599 . 1 1 126 126 LEU C C 13 181.47 0.30 . . . . . . . 187 LEU C . 27642 1 600 . 1 1 126 126 LEU CA C 13 58.515 0.30 . . . . . . . 187 LEU CA . 27642 1 601 . 1 1 126 126 LEU CB C 13 41.546 0.30 . . . . . . . 187 LEU CB . 27642 1 602 . 1 1 126 126 LEU N N 15 123.05 0.30 . . . . . . . 187 LEU N . 27642 1 603 . 1 1 127 127 ASN H H 1 8.102 0.03 . . . . . . . 188 ASN H . 27642 1 604 . 1 1 127 127 ASN C C 13 176.949 0.30 . . . . . . . 188 ASN C . 27642 1 605 . 1 1 127 127 ASN CA C 13 56.039 0.30 . . . . . . . 188 ASN CA . 27642 1 606 . 1 1 127 127 ASN CB C 13 38.425 0.30 . . . . . . . 188 ASN CB . 27642 1 607 . 1 1 127 127 ASN N N 15 119.967 0.30 . . . . . . . 188 ASN N . 27642 1 608 . 1 1 128 128 LEU H H 1 7.764 0.03 . . . . . . . 189 LEU H . 27642 1 609 . 1 1 128 128 LEU C C 13 175.859 0.30 . . . . . . . 189 LEU C . 27642 1 610 . 1 1 128 128 LEU CA C 13 55.079 0.30 . . . . . . . 189 LEU CA . 27642 1 611 . 1 1 128 128 LEU CB C 13 42.436 0.30 . . . . . . . 189 LEU CB . 27642 1 612 . 1 1 128 128 LEU N N 15 119.652 0.30 . . . . . . . 189 LEU N . 27642 1 613 . 1 1 129 129 GLN H H 1 7.98 0.03 . . . . . . . 190 GLN H . 27642 1 614 . 1 1 129 129 GLN C C 13 175.965 0.30 . . . . . . . 190 GLN C . 27642 1 615 . 1 1 129 129 GLN CA C 13 56.9 0.30 . . . . . . . 190 GLN CA . 27642 1 616 . 1 1 129 129 GLN CB C 13 25.383 0.30 . . . . . . . 190 GLN CB . 27642 1 617 . 1 1 129 129 GLN N N 15 113.237 0.30 . . . . . . . 190 GLN N . 27642 1 618 . 1 1 130 130 LYS H H 1 7.547 0.03 . . . . . . . 191 LYS H . 27642 1 619 . 1 1 130 130 LYS C C 13 176.642 0.30 . . . . . . . 191 LYS C . 27642 1 620 . 1 1 130 130 LYS CA C 13 56.181 0.30 . . . . . . . 191 LYS CA . 27642 1 621 . 1 1 130 130 LYS CB C 13 33.168 0.30 . . . . . . . 191 LYS CB . 27642 1 622 . 1 1 130 130 LYS N N 15 117.151 0.30 . . . . . . . 191 LYS N . 27642 1 623 . 1 1 131 131 LYS H H 1 8.2 0.03 . . . . . . . 192 LYS H . 27642 1 624 . 1 1 131 131 LYS C C 13 176.267 0.30 . . . . . . . 192 LYS C . 27642 1 625 . 1 1 131 131 LYS CA C 13 56.721 0.30 . . . . . . . 192 LYS CA . 27642 1 626 . 1 1 131 131 LYS CB C 13 32.536 0.30 . . . . . . . 192 LYS CB . 27642 1 627 . 1 1 131 131 LYS N N 15 116.933 0.30 . . . . . . . 192 LYS N . 27642 1 628 . 1 1 132 132 GLN H H 1 7.139 0.03 . . . . . . . 193 GLN H . 27642 1 629 . 1 1 132 132 GLN C C 13 175.357 0.30 . . . . . . . 193 GLN C . 27642 1 630 . 1 1 132 132 GLN CA C 13 53.72 0.30 . . . . . . . 193 GLN CA . 27642 1 631 . 1 1 132 132 GLN CB C 13 30.374 0.30 . . . . . . . 193 GLN CB . 27642 1 632 . 1 1 132 132 GLN N N 15 116.716 0.30 . . . . . . . 193 GLN N . 27642 1 633 . 1 1 133 133 LEU H H 1 8.792 0.03 . . . . . . . 194 LEU H . 27642 1 634 . 1 1 133 133 LEU C C 13 176.298 0.30 . . . . . . . 194 LEU C . 27642 1 635 . 1 1 133 133 LEU CA C 13 57.269 0.30 . . . . . . . 194 LEU CA . 27642 1 636 . 1 1 133 133 LEU CB C 13 41.784 0.30 . . . . . . . 194 LEU CB . 27642 1 637 . 1 1 133 133 LEU N N 15 123.476 0.30 . . . . . . . 194 LEU N . 27642 1 638 . 1 1 134 134 LEU H H 1 7.753 0.03 . . . . . . . 195 LEU H . 27642 1 639 . 1 1 134 134 LEU C C 13 175.855 0.30 . . . . . . . 195 LEU C . 27642 1 640 . 1 1 134 134 LEU CA C 13 53.628 0.30 . . . . . . . 195 LEU CA . 27642 1 641 . 1 1 134 134 LEU CB C 13 45.825 0.30 . . . . . . . 195 LEU CB . 27642 1 642 . 1 1 134 134 LEU N N 15 116.16 0.30 . . . . . . . 195 LEU N . 27642 1 643 . 1 1 135 135 SER H H 1 9.598 0.03 . . . . . . . 196 SER H . 27642 1 644 . 1 1 135 135 SER C C 13 174.806 0.30 . . . . . . . 196 SER C . 27642 1 645 . 1 1 135 135 SER CA C 13 56.973 0.30 . . . . . . . 196 SER CA . 27642 1 646 . 1 1 135 135 SER CB C 13 65.392 0.30 . . . . . . . 196 SER CB . 27642 1 647 . 1 1 135 135 SER N N 15 122.135 0.30 . . . . . . . 196 SER N . 27642 1 648 . 1 1 136 136 GLU H H 1 8.886 0.03 . . . . . . . 197 GLU H . 27642 1 649 . 1 1 136 136 GLU C C 13 179.12 0.30 . . . . . . . 197 GLU C . 27642 1 650 . 1 1 136 136 GLU CA C 13 59.675 0.30 . . . . . . . 197 GLU CA . 27642 1 651 . 1 1 136 136 GLU CB C 13 29.075 0.30 . . . . . . . 197 GLU CB . 27642 1 652 . 1 1 136 136 GLU N N 15 120.601 0.30 . . . . . . . 197 GLU N . 27642 1 653 . 1 1 137 137 GLU H H 1 8.409 0.03 . . . . . . . 198 GLU H . 27642 1 654 . 1 1 137 137 GLU C C 13 178.706 0.30 . . . . . . . 198 GLU C . 27642 1 655 . 1 1 137 137 GLU CA C 13 59.557 0.30 . . . . . . . 198 GLU CA . 27642 1 656 . 1 1 137 137 GLU CB C 13 29.353 0.30 . . . . . . . 198 GLU CB . 27642 1 657 . 1 1 137 137 GLU N N 15 119.059 0.30 . . . . . . . 198 GLU N . 27642 1 658 . 1 1 138 138 GLU H H 1 7.739 0.03 . . . . . . . 199 GLU H . 27642 1 659 . 1 1 138 138 GLU C C 13 178.992 0.30 . . . . . . . 199 GLU C . 27642 1 660 . 1 1 138 138 GLU CA C 13 58.869 0.30 . . . . . . . 199 GLU CA . 27642 1 661 . 1 1 138 138 GLU CB C 13 29.843 0.30 . . . . . . . 199 GLU CB . 27642 1 662 . 1 1 138 138 GLU N N 15 119.905 0.30 . . . . . . . 199 GLU N . 27642 1 663 . 1 1 139 139 LYS H H 1 8.128 0.03 . . . . . . . 200 LYS H . 27642 1 664 . 1 1 139 139 LYS C C 13 178.7 0.30 . . . . . . . 200 LYS C . 27642 1 665 . 1 1 139 139 LYS CA C 13 59.741 0.30 . . . . . . . 200 LYS CA . 27642 1 666 . 1 1 139 139 LYS CB C 13 32.638 0.30 . . . . . . . 200 LYS CB . 27642 1 667 . 1 1 139 139 LYS N N 15 117.749 0.30 . . . . . . . 200 LYS N . 27642 1 668 . 1 1 140 140 LYS H H 1 7.747 0.03 . . . . . . . 201 LYS H . 27642 1 669 . 1 1 140 140 LYS C C 13 178.291 0.30 . . . . . . . 201 LYS C . 27642 1 670 . 1 1 140 140 LYS CA C 13 58.706 0.30 . . . . . . . 201 LYS CA . 27642 1 671 . 1 1 140 140 LYS CB C 13 32.338 0.30 . . . . . . . 201 LYS CB . 27642 1 672 . 1 1 140 140 LYS N N 15 119.158 0.30 . . . . . . . 201 LYS N . 27642 1 673 . 1 1 141 141 ASN H H 1 7.941 0.03 . . . . . . . 202 ASN H . 27642 1 674 . 1 1 141 141 ASN C C 13 176.566 0.30 . . . . . . . 202 ASN C . 27642 1 675 . 1 1 141 141 ASN CA C 13 54.635 0.30 . . . . . . . 202 ASN CA . 27642 1 676 . 1 1 141 141 ASN CB C 13 38.497 0.30 . . . . . . . 202 ASN CB . 27642 1 677 . 1 1 141 141 ASN N N 15 117.309 0.30 . . . . . . . 202 ASN N . 27642 1 678 . 1 1 142 142 LEU H H 1 7.806 0.03 . . . . . . . 203 LEU H . 27642 1 679 . 1 1 142 142 LEU C C 13 177.643 0.30 . . . . . . . 203 LEU C . 27642 1 680 . 1 1 142 142 LEU CA C 13 55.952 0.30 . . . . . . . 203 LEU CA . 27642 1 681 . 1 1 142 142 LEU CB C 13 42.251 0.30 . . . . . . . 203 LEU CB . 27642 1 682 . 1 1 142 142 LEU N N 15 120.16 0.30 . . . . . . . 203 LEU N . 27642 1 683 . 1 1 143 143 SER H H 1 7.953 0.03 . . . . . . . 204 SER H . 27642 1 684 . 1 1 143 143 SER C C 13 174.477 0.30 . . . . . . . 204 SER C . 27642 1 685 . 1 1 143 143 SER CA C 13 59.138 0.30 . . . . . . . 204 SER CA . 27642 1 686 . 1 1 143 143 SER CB C 13 63.695 0.30 . . . . . . . 204 SER CB . 27642 1 687 . 1 1 143 143 SER N N 15 115.093 0.30 . . . . . . . 204 SER N . 27642 1 688 . 1 1 144 144 ALA H H 1 8.076 0.03 . . . . . . . 205 ALA H . 27642 1 689 . 1 1 144 144 ALA C C 13 177.889 0.30 . . . . . . . 205 ALA C . 27642 1 690 . 1 1 144 144 ALA CA C 13 52.883 0.30 . . . . . . . 205 ALA CA . 27642 1 691 . 1 1 144 144 ALA CB C 13 19.148 0.30 . . . . . . . 205 ALA CB . 27642 1 692 . 1 1 144 144 ALA N N 15 124.841 0.30 . . . . . . . 205 ALA N . 27642 1 693 . 1 1 145 145 SER H H 1 8.142 0.03 . . . . . . . 206 SER H . 27642 1 694 . 1 1 145 145 SER C C 13 174.961 0.30 . . . . . . . 206 SER C . 27642 1 695 . 1 1 145 145 SER CA C 13 58.712 0.30 . . . . . . . 206 SER CA . 27642 1 696 . 1 1 145 145 SER CB C 13 63.796 0.30 . . . . . . . 206 SER CB . 27642 1 697 . 1 1 145 145 SER N N 15 114.137 0.30 . . . . . . . 206 SER N . 27642 1 698 . 1 1 146 146 THR H H 1 8.085 0.03 . . . . . . . 207 THR H . 27642 1 699 . 1 1 146 146 THR C C 13 174.473 0.30 . . . . . . . 207 THR C . 27642 1 700 . 1 1 146 146 THR CA C 13 62.299 0.30 . . . . . . . 207 THR CA . 27642 1 701 . 1 1 146 146 THR CB C 13 69.646 0.30 . . . . . . . 207 THR CB . 27642 1 702 . 1 1 146 146 THR N N 15 116.289 0.30 . . . . . . . 207 THR N . 27642 1 703 . 1 1 147 147 VAL H H 1 8.026 0.03 . . . . . . . 208 VAL H . 27642 1 704 . 1 1 147 147 VAL C C 13 176.098 0.30 . . . . . . . 208 VAL C . 27642 1 705 . 1 1 147 147 VAL CA C 13 62.67 0.30 . . . . . . . 208 VAL CA . 27642 1 706 . 1 1 147 147 VAL CB C 13 32.508 0.30 . . . . . . . 208 VAL CB . 27642 1 707 . 1 1 147 147 VAL N N 15 122.347 0.30 . . . . . . . 208 VAL N . 27642 1 708 . 1 1 148 148 LEU H H 1 8.252 0.03 . . . . . . . 209 LEU H . 27642 1 709 . 1 1 148 148 LEU C C 13 177.532 0.30 . . . . . . . 209 LEU C . 27642 1 710 . 1 1 148 148 LEU CA C 13 55.304 0.30 . . . . . . . 209 LEU CA . 27642 1 711 . 1 1 148 148 LEU CB C 13 42.283 0.30 . . . . . . . 209 LEU CB . 27642 1 712 . 1 1 148 148 LEU N N 15 125.331 0.30 . . . . . . . 209 LEU N . 27642 1 713 . 1 1 149 149 THR H H 1 8.027 0.03 . . . . . . . 210 THR H . 27642 1 714 . 1 1 149 149 THR C C 13 174.42 0.30 . . . . . . . 210 THR C . 27642 1 715 . 1 1 149 149 THR CA C 13 61.844 0.30 . . . . . . . 210 THR CA . 27642 1 716 . 1 1 149 149 THR CB C 13 69.9 0.30 . . . . . . . 210 THR CB . 27642 1 717 . 1 1 149 149 THR N N 15 114.424 0.30 . . . . . . . 210 THR N . 27642 1 718 . 1 1 150 150 ALA H H 1 8.258 0.03 . . . . . . . 211 ALA H . 27642 1 719 . 1 1 150 150 ALA C C 13 177.796 0.30 . . . . . . . 211 ALA C . 27642 1 720 . 1 1 150 150 ALA CA C 13 52.747 0.30 . . . . . . . 211 ALA CA . 27642 1 721 . 1 1 150 150 ALA CB C 13 19.049 0.30 . . . . . . . 211 ALA CB . 27642 1 722 . 1 1 150 150 ALA N N 15 125.935 0.30 . . . . . . . 211 ALA N . 27642 1 723 . 1 1 151 151 GLN H H 1 8.259 0.03 . . . . . . . 212 GLN H . 27642 1 724 . 1 1 151 151 GLN C C 13 176.3 0.30 . . . . . . . 212 GLN C . 27642 1 725 . 1 1 151 151 GLN CA C 13 56.189 0.30 . . . . . . . 212 GLN CA . 27642 1 726 . 1 1 151 151 GLN CB C 13 29.386 0.30 . . . . . . . 212 GLN CB . 27642 1 727 . 1 1 151 151 GLN N N 15 119.241 0.30 . . . . . . . 212 GLN N . 27642 1 728 . 1 1 152 152 GLU H H 1 8.344 0.03 . . . . . . . 213 GLU H . 27642 1 729 . 1 1 152 152 GLU C C 13 176.535 0.30 . . . . . . . 213 GLU C . 27642 1 730 . 1 1 152 152 GLU CA C 13 56.864 0.30 . . . . . . . 213 GLU CA . 27642 1 731 . 1 1 152 152 GLU CB C 13 30.293 0.30 . . . . . . . 213 GLU CB . 27642 1 732 . 1 1 152 152 GLU N N 15 121.747 0.30 . . . . . . . 213 GLU N . 27642 1 733 . 1 1 153 153 SER H H 1 8.193 0.03 . . . . . . . 214 SER H . 27642 1 734 . 1 1 153 153 SER C C 13 174.268 0.30 . . . . . . . 214 SER C . 27642 1 735 . 1 1 153 153 SER CA C 13 58.465 0.30 . . . . . . . 214 SER CA . 27642 1 736 . 1 1 153 153 SER CB C 13 63.8 0.30 . . . . . . . 214 SER CB . 27642 1 737 . 1 1 153 153 SER N N 15 116.137 0.30 . . . . . . . 214 SER N . 27642 1 738 . 1 1 157 157 SER CA C 13 58.454 0.30 . . . . . . . 218 SER CA . 27642 1 739 . 1 1 157 157 SER CB C 13 63.794 0.30 . . . . . . . 218 SER CB . 27642 1 740 . 1 1 158 158 LEU H H 1 8.246 0.03 . . . . . . . 219 LEU H . 27642 1 741 . 1 1 158 158 LEU C C 13 178.11 0.30 . . . . . . . 219 LEU C . 27642 1 742 . 1 1 158 158 LEU CA C 13 55.411 0.30 . . . . . . . 219 LEU CA . 27642 1 743 . 1 1 158 158 LEU CB C 13 42.107 0.30 . . . . . . . 219 LEU CB . 27642 1 744 . 1 1 158 158 LEU N N 15 123.295 0.30 . . . . . . . 219 LEU N . 27642 1 745 . 1 1 159 159 GLY H H 1 8.278 0.03 . . . . . . . 220 GLY H . 27642 1 746 . 1 1 159 159 GLY C C 13 174.302 0.30 . . . . . . . 220 GLY C . 27642 1 747 . 1 1 159 159 GLY CA C 13 45.757 0.30 . . . . . . . 220 GLY CA . 27642 1 748 . 1 1 159 159 GLY N N 15 108.797 0.30 . . . . . . . 220 GLY N . 27642 1 749 . 1 1 160 160 HIS CA C 13 56.792 0.30 . . . . . . . 221 HIS CA . 27642 1 750 . 1 1 160 160 HIS CB C 13 30.785 0.30 . . . . . . . 221 HIS CB . 27642 1 751 . 1 1 161 161 LEU H H 1 7.928 0.03 . . . . . . . 222 LEU H . 27642 1 752 . 1 1 161 161 LEU C C 13 177.364 0.30 . . . . . . . 222 LEU C . 27642 1 753 . 1 1 161 161 LEU CA C 13 55.342 0.30 . . . . . . . 222 LEU CA . 27642 1 754 . 1 1 161 161 LEU CB C 13 41.998 0.30 . . . . . . . 222 LEU CB . 27642 1 755 . 1 1 161 161 LEU N N 15 122.293 0.30 . . . . . . . 222 LEU N . 27642 1 756 . 1 1 162 162 GLN H H 1 8.164 0.03 . . . . . . . 223 GLN H . 27642 1 757 . 1 1 162 162 GLN C C 13 177.388 0.30 . . . . . . . 223 GLN C . 27642 1 758 . 1 1 162 162 GLN CA C 13 56.043 0.30 . . . . . . . 223 GLN CA . 27642 1 759 . 1 1 162 162 GLN CB C 13 29.243 0.30 . . . . . . . 223 GLN CB . 27642 1 760 . 1 1 162 162 GLN N N 15 119.817 0.30 . . . . . . . 223 GLN N . 27642 1 761 . 1 1 163 163 ASN H H 1 8.071 0.03 . . . . . . . 224 ASN H . 27642 1 762 . 1 1 163 163 ASN N N 15 115.943 0.30 . . . . . . . 224 ASN N . 27642 1 763 . 1 1 164 164 ARG CA C 13 55.589 0.30 . . . . . . . 225 ARG CA . 27642 1 764 . 1 1 164 164 ARG CB C 13 29.645 0.30 . . . . . . . 225 ARG CB . 27642 1 765 . 1 1 165 165 ASN H H 1 7.961 0.03 . . . . . . . 226 ASN H . 27642 1 766 . 1 1 165 165 ASN CA C 13 54.801 0.30 . . . . . . . 226 ASN CA . 27642 1 767 . 1 1 165 165 ASN CB C 13 39.09 0.30 . . . . . . . 226 ASN CB . 27642 1 768 . 1 1 165 165 ASN N N 15 125.657 0.30 . . . . . . . 226 ASN N . 27642 1 769 . 1 1 166 166 ASN H H 1 7.908 0.03 . . . . . . . 227 ASN H . 27642 1 770 . 1 1 166 166 ASN C C 13 179.379 0.30 . . . . . . . 227 ASN C . 27642 1 771 . 1 1 166 166 ASN CA C 13 54.778 0.30 . . . . . . . 227 ASN CA . 27642 1 772 . 1 1 166 166 ASN CB C 13 40.262 0.30 . . . . . . . 227 ASN CB . 27642 1 773 . 1 1 166 166 ASN N N 15 124.165 0.30 . . . . . . . 227 ASN N . 27642 1 774 . 1 1 168 168 CYS CA C 13 62.966 0.30 . . . . . . . 229 CYS CA . 27642 1 775 . 1 1 168 168 CYS CB C 13 31.588 0.30 . . . . . . . 229 CYS CB . 27642 1 776 . 1 1 169 169 ASP H H 1 8.383 0.03 . . . . . . . 230 ASP H . 27642 1 777 . 1 1 169 169 ASP C C 13 176.269 0.30 . . . . . . . 230 ASP C . 27642 1 778 . 1 1 169 169 ASP CA C 13 55.23 0.30 . . . . . . . 230 ASP CA . 27642 1 779 . 1 1 169 169 ASP CB C 13 41.751 0.30 . . . . . . . 230 ASP CB . 27642 1 780 . 1 1 169 169 ASP N N 15 122.772 0.30 . . . . . . . 230 ASP N . 27642 1 781 . 1 1 170 170 SER H H 1 7.334 0.03 . . . . . . . 231 SER H . 27642 1 782 . 1 1 170 170 SER C C 13 174.117 0.30 . . . . . . . 231 SER C . 27642 1 783 . 1 1 170 170 SER CA C 13 56.376 0.30 . . . . . . . 231 SER CA . 27642 1 784 . 1 1 170 170 SER CB C 13 65.816 0.30 . . . . . . . 231 SER CB . 27642 1 785 . 1 1 170 170 SER N N 15 116.979 0.30 . . . . . . . 231 SER N . 27642 1 786 . 1 1 175 175 THR H H 1 7.793 0.03 . . . . . . . 236 THR H . 27642 1 787 . 1 1 175 175 THR C C 13 179.171 0.30 . . . . . . . 236 THR C . 27642 1 788 . 1 1 175 175 THR CA C 13 63.297 0.30 . . . . . . . 236 THR CA . 27642 1 789 . 1 1 175 175 THR CB C 13 70.522 0.30 . . . . . . . 236 THR CB . 27642 1 790 . 1 1 175 175 THR N N 15 121.441 0.30 . . . . . . . 236 THR N . 27642 1 791 . 1 1 176 176 LYS H H 1 8.24 0.03 . . . . . . . 237 LYS H . 27642 1 792 . 1 1 176 176 LYS C C 13 175.941 0.30 . . . . . . . 237 LYS C . 27642 1 793 . 1 1 176 176 LYS CA C 13 56.116 0.30 . . . . . . . 237 LYS CA . 27642 1 794 . 1 1 176 176 LYS CB C 13 33.17 0.30 . . . . . . . 237 LYS CB . 27642 1 795 . 1 1 176 176 LYS N N 15 124.153 0.30 . . . . . . . 237 LYS N . 27642 1 796 . 1 1 177 177 ALA H H 1 8.29 0.03 . . . . . . . 238 ALA H . 27642 1 797 . 1 1 177 177 ALA C C 13 176.675 0.30 . . . . . . . 238 ALA C . 27642 1 798 . 1 1 177 177 ALA CA C 13 52.609 0.30 . . . . . . . 238 ALA CA . 27642 1 799 . 1 1 177 177 ALA CB C 13 19.253 0.30 . . . . . . . 238 ALA CB . 27642 1 800 . 1 1 177 177 ALA N N 15 126.406 0.30 . . . . . . . 238 ALA N . 27642 1 801 . 1 1 178 178 ARG H H 1 7.843 0.03 . . . . . . . 239 ARG H . 27642 1 802 . 1 1 178 178 ARG C C 13 180.951 0.30 . . . . . . . 239 ARG C . 27642 1 803 . 1 1 178 178 ARG CA C 13 57.413 0.30 . . . . . . . 239 ARG CA . 27642 1 804 . 1 1 178 178 ARG CB C 13 31.452 0.30 . . . . . . . 239 ARG CB . 27642 1 805 . 1 1 178 178 ARG N N 15 125.272 0.30 . . . . . . . 239 ARG N . 27642 1 stop_ save_