data_52542 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52542 _Entry.Title ; Backbone resonance assignemnts of HUWE1 HECT domain N-lobe ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-07-09 _Entry.Accession_date 2024-07-09 _Entry.Last_release_date 2024-07-10 _Entry.Original_release_date 2024-07-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _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 Haoran Zhang . . . 0000-0002-4104-7062 52542 2 Yan Li . . . 0000-0003-1963-839X 52542 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52542 spectral_peak_list 8 52542 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 645 52542 '15N chemical shifts' 215 52542 '1H chemical shifts' 215 52542 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 . . 2024-07-16 . original BMRB . 52542 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52544 'Backbone resonance assignemnts of HUWE1 HECT domain N-lobe truncation D4141-4216' 52542 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52542 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone resonance assignemnts of HUWE1 HECT domain N-lobe ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Haoran Zhang . . . . 52542 1 2 Yan Li . . . . 52542 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52542 _Assembly.ID 1 _Assembly.Name 'HUWE1 HECT domain N-lobe' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'HUWE1 HECT domain N-lobe' 1 $entity_1 . . yes native no no . . . 52542 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52542 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPGSDFDVKRKYFRQELERL DEGLRKEDMAVHVRRDHVFE DSYRELHRKSPEEMKNRLYI VFEGEEGQDAGGLLREWYMI ISREMFNPMYALFRTSPGDR VTYTINPSSHCNPNHLSYFK FVGRIVAKAVYDNRLLECYF TRSFYKHILGKSVRYTDMES EDYHFYQGLVYLLENDVSTL GYDLTFSTEVQEFGVCEVRD LKPNGANILVTEENKKEYVH LVCQMRMTGAIRKQLAAFLE GFYEIIPKRLISIFTEQELE LLISGL ; _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 266 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 Uniprot Q7Z6Z7 . 'E3 ubiquitin-protein ligase HUWE1' . . . . . . . . . . . . . . 52542 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 . GLY . 52542 1 2 . PRO . 52542 1 3 . GLY . 52542 1 4 . SER . 52542 1 5 . ASP . 52542 1 6 . PHE . 52542 1 7 . ASP . 52542 1 8 . VAL . 52542 1 9 . LYS . 52542 1 10 . ARG . 52542 1 11 . LYS . 52542 1 12 . TYR . 52542 1 13 . PHE . 52542 1 14 . ARG . 52542 1 15 . GLN . 52542 1 16 . GLU . 52542 1 17 . LEU . 52542 1 18 . GLU . 52542 1 19 . ARG . 52542 1 20 . LEU . 52542 1 21 . ASP . 52542 1 22 . GLU . 52542 1 23 . GLY . 52542 1 24 . LEU . 52542 1 25 . ARG . 52542 1 26 . LYS . 52542 1 27 . GLU . 52542 1 28 . ASP . 52542 1 29 . MET . 52542 1 30 . ALA . 52542 1 31 . VAL . 52542 1 32 . HIS . 52542 1 33 . VAL . 52542 1 34 . ARG . 52542 1 35 . ARG . 52542 1 36 . ASP . 52542 1 37 . HIS . 52542 1 38 . VAL . 52542 1 39 . PHE . 52542 1 40 . GLU . 52542 1 41 . ASP . 52542 1 42 . SER . 52542 1 43 . TYR . 52542 1 44 . ARG . 52542 1 45 . GLU . 52542 1 46 . LEU . 52542 1 47 . HIS . 52542 1 48 . ARG . 52542 1 49 . LYS . 52542 1 50 . SER . 52542 1 51 . PRO . 52542 1 52 . GLU . 52542 1 53 . GLU . 52542 1 54 . MET . 52542 1 55 . LYS . 52542 1 56 . ASN . 52542 1 57 . ARG . 52542 1 58 . LEU . 52542 1 59 . TYR . 52542 1 60 . ILE . 52542 1 61 . VAL . 52542 1 62 . PHE . 52542 1 63 . GLU . 52542 1 64 . GLY . 52542 1 65 . GLU . 52542 1 66 . GLU . 52542 1 67 . GLY . 52542 1 68 . GLN . 52542 1 69 . ASP . 52542 1 70 . ALA . 52542 1 71 . GLY . 52542 1 72 . GLY . 52542 1 73 . LEU . 52542 1 74 . LEU . 52542 1 75 . ARG . 52542 1 76 . GLU . 52542 1 77 . TRP . 52542 1 78 . TYR . 52542 1 79 . MET . 52542 1 80 . ILE . 52542 1 81 . ILE . 52542 1 82 . SER . 52542 1 83 . ARG . 52542 1 84 . GLU . 52542 1 85 . MET . 52542 1 86 . PHE . 52542 1 87 . ASN . 52542 1 88 . PRO . 52542 1 89 . MET . 52542 1 90 . TYR . 52542 1 91 . ALA . 52542 1 92 . LEU . 52542 1 93 . PHE . 52542 1 94 . ARG . 52542 1 95 . THR . 52542 1 96 . SER . 52542 1 97 . PRO . 52542 1 98 . GLY . 52542 1 99 . ASP . 52542 1 100 . ARG . 52542 1 101 . VAL . 52542 1 102 . THR . 52542 1 103 . TYR . 52542 1 104 . THR . 52542 1 105 . ILE . 52542 1 106 . ASN . 52542 1 107 . PRO . 52542 1 108 . SER . 52542 1 109 . SER . 52542 1 110 . HIS . 52542 1 111 . CYS . 52542 1 112 . ASN . 52542 1 113 . PRO . 52542 1 114 . ASN . 52542 1 115 . HIS . 52542 1 116 . LEU . 52542 1 117 . SER . 52542 1 118 . TYR . 52542 1 119 . PHE . 52542 1 120 . LYS . 52542 1 121 . PHE . 52542 1 122 . VAL . 52542 1 123 . GLY . 52542 1 124 . ARG . 52542 1 125 . ILE . 52542 1 126 . VAL . 52542 1 127 . ALA . 52542 1 128 . LYS . 52542 1 129 . ALA . 52542 1 130 . VAL . 52542 1 131 . TYR . 52542 1 132 . ASP . 52542 1 133 . ASN . 52542 1 134 . ARG . 52542 1 135 . LEU . 52542 1 136 . LEU . 52542 1 137 . GLU . 52542 1 138 . CYS . 52542 1 139 . TYR . 52542 1 140 . PHE . 52542 1 141 . THR . 52542 1 142 . ARG . 52542 1 143 . SER . 52542 1 144 . PHE . 52542 1 145 . TYR . 52542 1 146 . LYS . 52542 1 147 . HIS . 52542 1 148 . ILE . 52542 1 149 . LEU . 52542 1 150 . GLY . 52542 1 151 . LYS . 52542 1 152 . SER . 52542 1 153 . VAL . 52542 1 154 . ARG . 52542 1 155 . TYR . 52542 1 156 . THR . 52542 1 157 . ASP . 52542 1 158 . MET . 52542 1 159 . GLU . 52542 1 160 . SER . 52542 1 161 . GLU . 52542 1 162 . ASP . 52542 1 163 . TYR . 52542 1 164 . HIS . 52542 1 165 . PHE . 52542 1 166 . TYR . 52542 1 167 . GLN . 52542 1 168 . GLY . 52542 1 169 . LEU . 52542 1 170 . VAL . 52542 1 171 . TYR . 52542 1 172 . LEU . 52542 1 173 . LEU . 52542 1 174 . GLU . 52542 1 175 . ASN . 52542 1 176 . ASP . 52542 1 177 . VAL . 52542 1 178 . SER . 52542 1 179 . THR . 52542 1 180 . LEU . 52542 1 181 . GLY . 52542 1 182 . TYR . 52542 1 183 . ASP . 52542 1 184 . LEU . 52542 1 185 . THR . 52542 1 186 . PHE . 52542 1 187 . SER . 52542 1 188 . THR . 52542 1 189 . GLU . 52542 1 190 . VAL . 52542 1 191 . GLN . 52542 1 192 . GLU . 52542 1 193 . PHE . 52542 1 194 . GLY . 52542 1 195 . VAL . 52542 1 196 . CYS . 52542 1 197 . GLU . 52542 1 198 . VAL . 52542 1 199 . ARG . 52542 1 200 . ASP . 52542 1 201 . LEU . 52542 1 202 . LYS . 52542 1 203 . PRO . 52542 1 204 . ASN . 52542 1 205 . GLY . 52542 1 206 . ALA . 52542 1 207 . ASN . 52542 1 208 . ILE . 52542 1 209 . LEU . 52542 1 210 . VAL . 52542 1 211 . THR . 52542 1 212 . GLU . 52542 1 213 . GLU . 52542 1 214 . ASN . 52542 1 215 . LYS . 52542 1 216 . LYS . 52542 1 217 . GLU . 52542 1 218 . TYR . 52542 1 219 . VAL . 52542 1 220 . HIS . 52542 1 221 . LEU . 52542 1 222 . VAL . 52542 1 223 . CYS . 52542 1 224 . GLN . 52542 1 225 . MET . 52542 1 226 . ARG . 52542 1 227 . MET . 52542 1 228 . THR . 52542 1 229 . GLY . 52542 1 230 . ALA . 52542 1 231 . ILE . 52542 1 232 . ARG . 52542 1 233 . LYS . 52542 1 234 . GLN . 52542 1 235 . LEU . 52542 1 236 . ALA . 52542 1 237 . ALA . 52542 1 238 . PHE . 52542 1 239 . LEU . 52542 1 240 . GLU . 52542 1 241 . GLY . 52542 1 242 . PHE . 52542 1 243 . TYR . 52542 1 244 . GLU . 52542 1 245 . ILE . 52542 1 246 . ILE . 52542 1 247 . PRO . 52542 1 248 . LYS . 52542 1 249 . ARG . 52542 1 250 . LEU . 52542 1 251 . ILE . 52542 1 252 . SER . 52542 1 253 . ILE . 52542 1 254 . PHE . 52542 1 255 . THR . 52542 1 256 . GLU . 52542 1 257 . GLN . 52542 1 258 . GLU . 52542 1 259 . LEU . 52542 1 260 . GLU . 52542 1 261 . LEU . 52542 1 262 . LEU . 52542 1 263 . ILE . 52542 1 264 . SER . 52542 1 265 . GLY . 52542 1 266 . LEU . 52542 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 52542 1 . PRO 2 2 52542 1 . GLY 3 3 52542 1 . SER 4 4 52542 1 . ASP 5 5 52542 1 . PHE 6 6 52542 1 . ASP 7 7 52542 1 . VAL 8 8 52542 1 . LYS 9 9 52542 1 . ARG 10 10 52542 1 . LYS 11 11 52542 1 . TYR 12 12 52542 1 . PHE 13 13 52542 1 . ARG 14 14 52542 1 . GLN 15 15 52542 1 . GLU 16 16 52542 1 . LEU 17 17 52542 1 . GLU 18 18 52542 1 . ARG 19 19 52542 1 . LEU 20 20 52542 1 . ASP 21 21 52542 1 . GLU 22 22 52542 1 . GLY 23 23 52542 1 . LEU 24 24 52542 1 . ARG 25 25 52542 1 . LYS 26 26 52542 1 . GLU 27 27 52542 1 . ASP 28 28 52542 1 . MET 29 29 52542 1 . ALA 30 30 52542 1 . VAL 31 31 52542 1 . HIS 32 32 52542 1 . VAL 33 33 52542 1 . ARG 34 34 52542 1 . ARG 35 35 52542 1 . ASP 36 36 52542 1 . HIS 37 37 52542 1 . VAL 38 38 52542 1 . PHE 39 39 52542 1 . GLU 40 40 52542 1 . ASP 41 41 52542 1 . SER 42 42 52542 1 . TYR 43 43 52542 1 . ARG 44 44 52542 1 . GLU 45 45 52542 1 . LEU 46 46 52542 1 . HIS 47 47 52542 1 . ARG 48 48 52542 1 . LYS 49 49 52542 1 . SER 50 50 52542 1 . PRO 51 51 52542 1 . GLU 52 52 52542 1 . GLU 53 53 52542 1 . MET 54 54 52542 1 . LYS 55 55 52542 1 . ASN 56 56 52542 1 . ARG 57 57 52542 1 . LEU 58 58 52542 1 . TYR 59 59 52542 1 . ILE 60 60 52542 1 . VAL 61 61 52542 1 . PHE 62 62 52542 1 . GLU 63 63 52542 1 . GLY 64 64 52542 1 . GLU 65 65 52542 1 . GLU 66 66 52542 1 . GLY 67 67 52542 1 . GLN 68 68 52542 1 . ASP 69 69 52542 1 . ALA 70 70 52542 1 . GLY 71 71 52542 1 . GLY 72 72 52542 1 . LEU 73 73 52542 1 . LEU 74 74 52542 1 . ARG 75 75 52542 1 . GLU 76 76 52542 1 . TRP 77 77 52542 1 . TYR 78 78 52542 1 . MET 79 79 52542 1 . ILE 80 80 52542 1 . ILE 81 81 52542 1 . SER 82 82 52542 1 . ARG 83 83 52542 1 . GLU 84 84 52542 1 . MET 85 85 52542 1 . PHE 86 86 52542 1 . ASN 87 87 52542 1 . PRO 88 88 52542 1 . MET 89 89 52542 1 . TYR 90 90 52542 1 . ALA 91 91 52542 1 . LEU 92 92 52542 1 . PHE 93 93 52542 1 . ARG 94 94 52542 1 . THR 95 95 52542 1 . SER 96 96 52542 1 . PRO 97 97 52542 1 . GLY 98 98 52542 1 . ASP 99 99 52542 1 . ARG 100 100 52542 1 . VAL 101 101 52542 1 . THR 102 102 52542 1 . TYR 103 103 52542 1 . THR 104 104 52542 1 . ILE 105 105 52542 1 . ASN 106 106 52542 1 . PRO 107 107 52542 1 . SER 108 108 52542 1 . SER 109 109 52542 1 . HIS 110 110 52542 1 . CYS 111 111 52542 1 . ASN 112 112 52542 1 . PRO 113 113 52542 1 . ASN 114 114 52542 1 . HIS 115 115 52542 1 . LEU 116 116 52542 1 . SER 117 117 52542 1 . TYR 118 118 52542 1 . PHE 119 119 52542 1 . LYS 120 120 52542 1 . PHE 121 121 52542 1 . VAL 122 122 52542 1 . GLY 123 123 52542 1 . ARG 124 124 52542 1 . ILE 125 125 52542 1 . VAL 126 126 52542 1 . ALA 127 127 52542 1 . LYS 128 128 52542 1 . ALA 129 129 52542 1 . VAL 130 130 52542 1 . TYR 131 131 52542 1 . ASP 132 132 52542 1 . ASN 133 133 52542 1 . ARG 134 134 52542 1 . LEU 135 135 52542 1 . LEU 136 136 52542 1 . GLU 137 137 52542 1 . CYS 138 138 52542 1 . TYR 139 139 52542 1 . PHE 140 140 52542 1 . THR 141 141 52542 1 . ARG 142 142 52542 1 . SER 143 143 52542 1 . PHE 144 144 52542 1 . TYR 145 145 52542 1 . LYS 146 146 52542 1 . HIS 147 147 52542 1 . ILE 148 148 52542 1 . LEU 149 149 52542 1 . GLY 150 150 52542 1 . LYS 151 151 52542 1 . SER 152 152 52542 1 . VAL 153 153 52542 1 . ARG 154 154 52542 1 . TYR 155 155 52542 1 . THR 156 156 52542 1 . ASP 157 157 52542 1 . MET 158 158 52542 1 . GLU 159 159 52542 1 . SER 160 160 52542 1 . GLU 161 161 52542 1 . ASP 162 162 52542 1 . TYR 163 163 52542 1 . HIS 164 164 52542 1 . PHE 165 165 52542 1 . TYR 166 166 52542 1 . GLN 167 167 52542 1 . GLY 168 168 52542 1 . LEU 169 169 52542 1 . VAL 170 170 52542 1 . TYR 171 171 52542 1 . LEU 172 172 52542 1 . LEU 173 173 52542 1 . GLU 174 174 52542 1 . ASN 175 175 52542 1 . ASP 176 176 52542 1 . VAL 177 177 52542 1 . SER 178 178 52542 1 . THR 179 179 52542 1 . LEU 180 180 52542 1 . GLY 181 181 52542 1 . TYR 182 182 52542 1 . ASP 183 183 52542 1 . LEU 184 184 52542 1 . THR 185 185 52542 1 . PHE 186 186 52542 1 . SER 187 187 52542 1 . THR 188 188 52542 1 . GLU 189 189 52542 1 . VAL 190 190 52542 1 . GLN 191 191 52542 1 . GLU 192 192 52542 1 . PHE 193 193 52542 1 . GLY 194 194 52542 1 . VAL 195 195 52542 1 . CYS 196 196 52542 1 . GLU 197 197 52542 1 . VAL 198 198 52542 1 . ARG 199 199 52542 1 . ASP 200 200 52542 1 . LEU 201 201 52542 1 . LYS 202 202 52542 1 . PRO 203 203 52542 1 . ASN 204 204 52542 1 . GLY 205 205 52542 1 . ALA 206 206 52542 1 . ASN 207 207 52542 1 . ILE 208 208 52542 1 . LEU 209 209 52542 1 . VAL 210 210 52542 1 . THR 211 211 52542 1 . GLU 212 212 52542 1 . GLU 213 213 52542 1 . ASN 214 214 52542 1 . LYS 215 215 52542 1 . LYS 216 216 52542 1 . GLU 217 217 52542 1 . TYR 218 218 52542 1 . VAL 219 219 52542 1 . HIS 220 220 52542 1 . LEU 221 221 52542 1 . VAL 222 222 52542 1 . CYS 223 223 52542 1 . GLN 224 224 52542 1 . MET 225 225 52542 1 . ARG 226 226 52542 1 . MET 227 227 52542 1 . THR 228 228 52542 1 . GLY 229 229 52542 1 . ALA 230 230 52542 1 . ILE 231 231 52542 1 . ARG 232 232 52542 1 . LYS 233 233 52542 1 . GLN 234 234 52542 1 . LEU 235 235 52542 1 . ALA 236 236 52542 1 . ALA 237 237 52542 1 . PHE 238 238 52542 1 . LEU 239 239 52542 1 . GLU 240 240 52542 1 . GLY 241 241 52542 1 . PHE 242 242 52542 1 . TYR 243 243 52542 1 . GLU 244 244 52542 1 . ILE 245 245 52542 1 . ILE 246 246 52542 1 . PRO 247 247 52542 1 . LYS 248 248 52542 1 . ARG 249 249 52542 1 . LEU 250 250 52542 1 . ILE 251 251 52542 1 . SER 252 252 52542 1 . ILE 253 253 52542 1 . PHE 254 254 52542 1 . THR 255 255 52542 1 . GLU 256 256 52542 1 . GLN 257 257 52542 1 . GLU 258 258 52542 1 . LEU 259 259 52542 1 . GLU 260 260 52542 1 . LEU 261 261 52542 1 . LEU 262 262 52542 1 . ILE 263 263 52542 1 . SER 264 264 52542 1 . GLY 265 265 52542 1 . LEU 266 266 52542 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52542 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . HUWE1 . 52542 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52542 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET-28a . . . 52542 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52542 _Sample.ID 1 _Sample.Name 2H/13C/15N-sample _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'HUWE1 HECT domain N-lobe' '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 400 . . uM . . . . 52542 1 2 D2O '[U-100% 2H]' . . . . . . 5 . . '% v/v' . . . . 52542 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 52542 1 4 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 52542 1 5 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 52542 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 52542 _Sample_condition_list.ID 1 _Sample_condition_list.Name condition_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' 222.4 . mM 52542 1 pH 8.0 . pH 52542 1 pressure 1 . atm 52542 1 temperature 298 . K 52542 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52542 _Software.ID 1 _Software.Type . _Software.Name VNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52542 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52542 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 52542 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 52542 _Software.ID 3 _Software.Type . _Software.Name POKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52542 3 'data analysis' . 52542 3 'peak picking' . 52542 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52542 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Varian VNMRS 700 MHz spectrometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52542 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' yes no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52542 1 2 '3D 1H-15N NOESY' yes no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52542 1 3 '3D HNCA' yes yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52542 1 4 '3D HN(CO)CA' yes yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52542 1 5 '3D HNCACB' yes yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52542 1 6 '3D HN(CO)CACB' yes yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52542 1 7 '3D HNCO' yes yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52542 1 8 '3D HN(CA)CO' yes yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52542 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-15N HSQC' 15N-HSQC.fid . 'Time-domain (raw spectral data)' . . 52542 1 2 '3D 1H-15N NOESY' 15Nnoesy.fid . 'Time-domain (raw spectral data)' . . 52542 1 3 '3D HNCA' hnca.fid . 'Time-domain (raw spectral data)' . . 52542 1 4 '3D HN(CO)CA' hncoca.fid . 'Time-domain (raw spectral data)' . . 52542 1 5 '3D HNCACB' hncacb.fid . 'Time-domain (raw spectral data)' . . 52542 1 6 '3D HN(CO)CACB' hncocacb.fid . 'Time-domain (raw spectral data)' . . 52542 1 7 '3D HNCO' hnco.fid . 'Time-domain (raw spectral data)' . . 52542 1 8 '3D HN(CA)CO' hncaco.fid . 'Time-domain (raw spectral data)' . . 52542 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52542 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name set_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 . . . . . 52542 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52542 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52542 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52542 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name chemical_shift_list_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 $chem_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' . . . 52542 1 2 '3D 1H-15N NOESY' . . . 52542 1 3 '3D HNCA' . . . 52542 1 4 '3D HN(CO)CA' . . . 52542 1 5 '3D HNCACB' . . . 52542 1 6 '3D HN(CO)CACB' . . . 52542 1 7 '3D HNCO' . . . 52542 1 8 '3D HN(CA)CO' . . . 52542 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $software_3 . . 52542 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 PRO C C 13 177.340 0.00 . 1 . . . . . 2 PRO C . 52542 1 2 . 1 . 1 2 2 PRO CA C 13 62.704 0.05 . 1 . . . . . 2 PRO CA . 52542 1 3 . 1 . 1 2 2 PRO CB C 13 30.965 0.18 . 1 . . . . . 2 PRO CB . 52542 1 4 . 1 . 1 3 3 GLY H H 1 8.620 0.00 . 1 . . . . . 3 GLY H . 52542 1 5 . 1 . 1 3 3 GLY C C 13 174.560 0.02 . 1 . . . . . 3 GLY C . 52542 1 6 . 1 . 1 3 3 GLY CA C 13 44.449 0.04 . 1 . . . . . 3 GLY CA . 52542 1 7 . 1 . 1 3 3 GLY N N 15 109.537 0.05 . 1 . . . . . 3 GLY N . 52542 1 8 . 1 . 1 4 4 SER H H 1 8.363 0.00 . 1 . . . . . 4 SER H . 52542 1 9 . 1 . 1 4 4 SER C C 13 174.851 0.00 . 1 . . . . . 4 SER C . 52542 1 10 . 1 . 1 4 4 SER CA C 13 58.362 0.01 . 1 . . . . . 4 SER CA . 52542 1 11 . 1 . 1 4 4 SER CB C 13 63.058 0.13 . 1 . . . . . 4 SER CB . 52542 1 12 . 1 . 1 4 4 SER N N 15 116.423 0.02 . 1 . . . . . 4 SER N . 52542 1 13 . 1 . 1 5 5 ASP H H 1 8.534 0.00 . 1 . . . . . 5 ASP H . 52542 1 14 . 1 . 1 5 5 ASP C C 13 177.693 0.01 . 1 . . . . . 5 ASP C . 52542 1 15 . 1 . 1 5 5 ASP CA C 13 55.106 0.02 . 1 . . . . . 5 ASP CA . 52542 1 16 . 1 . 1 5 5 ASP CB C 13 39.496 0.11 . 1 . . . . . 5 ASP CB . 52542 1 17 . 1 . 1 5 5 ASP N N 15 121.749 0.02 . 1 . . . . . 5 ASP N . 52542 1 18 . 1 . 1 6 6 PHE H H 1 8.365 0.00 . 1 . . . . . 6 PHE H . 52542 1 19 . 1 . 1 6 6 PHE C C 13 176.449 0.00 . 1 . . . . . 6 PHE C . 52542 1 20 . 1 . 1 6 6 PHE CA C 13 59.624 0.04 . 1 . . . . . 6 PHE CA . 52542 1 21 . 1 . 1 6 6 PHE CB C 13 38.028 0.11 . 1 . . . . . 6 PHE CB . 52542 1 22 . 1 . 1 6 6 PHE N N 15 120.979 0.02 . 1 . . . . . 6 PHE N . 52542 1 23 . 1 . 1 7 7 ASP H H 1 8.171 0.01 . 1 . . . . . 7 ASP H . 52542 1 24 . 1 . 1 7 7 ASP C C 13 178.982 0.01 . 1 . . . . . 7 ASP C . 52542 1 25 . 1 . 1 7 7 ASP CA C 13 57.158 0.01 . 1 . . . . . 7 ASP CA . 52542 1 26 . 1 . 1 7 7 ASP CB C 13 39.620 0.03 . 1 . . . . . 7 ASP CB . 52542 1 27 . 1 . 1 7 7 ASP N N 15 118.525 0.03 . 1 . . . . . 7 ASP N . 52542 1 28 . 1 . 1 8 8 VAL H H 1 7.748 0.00 . 1 . . . . . 8 VAL H . 52542 1 29 . 1 . 1 8 8 VAL C C 13 179.137 0.00 . 1 . . . . . 8 VAL C . 52542 1 30 . 1 . 1 8 8 VAL CA C 13 65.610 0.02 . 1 . . . . . 8 VAL CA . 52542 1 31 . 1 . 1 8 8 VAL CB C 13 30.690 0.00 . 1 . . . . . 8 VAL CB . 52542 1 32 . 1 . 1 8 8 VAL N N 15 120.024 0.02 . 1 . . . . . 8 VAL N . 52542 1 33 . 1 . 1 9 9 LYS H H 1 7.937 0.01 . 1 . . . . . 9 LYS H . 52542 1 34 . 1 . 1 9 9 LYS C C 13 178.511 0.02 . 1 . . . . . 9 LYS C . 52542 1 35 . 1 . 1 9 9 LYS CA C 13 59.392 0.07 . 1 . . . . . 9 LYS CA . 52542 1 36 . 1 . 1 9 9 LYS CB C 13 32.840 0.15 . 1 . . . . . 9 LYS CB . 52542 1 37 . 1 . 1 9 9 LYS N N 15 121.001 0.04 . 1 . . . . . 9 LYS N . 52542 1 38 . 1 . 1 10 10 ARG H H 1 8.831 0.01 . 1 . . . . . 10 ARG H . 52542 1 39 . 1 . 1 10 10 ARG C C 13 177.998 0.01 . 1 . . . . . 10 ARG C . 52542 1 40 . 1 . 1 10 10 ARG CA C 13 59.882 0.06 . 1 . . . . . 10 ARG CA . 52542 1 41 . 1 . 1 10 10 ARG CB C 13 28.673 0.01 . 1 . . . . . 10 ARG CB . 52542 1 42 . 1 . 1 10 10 ARG N N 15 118.744 0.03 . 1 . . . . . 10 ARG N . 52542 1 43 . 1 . 1 11 11 LYS H H 1 7.744 0.01 . 1 . . . . . 11 LYS H . 52542 1 44 . 1 . 1 11 11 LYS C C 13 178.940 0.01 . 1 . . . . . 11 LYS C . 52542 1 45 . 1 . 1 11 11 LYS CA C 13 59.038 0.02 . 1 . . . . . 11 LYS CA . 52542 1 46 . 1 . 1 11 11 LYS CB C 13 31.108 0.03 . 1 . . . . . 11 LYS CB . 52542 1 47 . 1 . 1 11 11 LYS N N 15 119.243 0.03 . 1 . . . . . 11 LYS N . 52542 1 48 . 1 . 1 12 12 TYR H H 1 7.761 0.00 . 1 . . . . . 12 TYR H . 52542 1 49 . 1 . 1 12 12 TYR C C 13 176.246 0.00 . 1 . . . . . 12 TYR C . 52542 1 50 . 1 . 1 12 12 TYR CA C 13 60.439 0.00 . 1 . . . . . 12 TYR CA . 52542 1 51 . 1 . 1 12 12 TYR CB C 13 37.042 0.11 . 1 . . . . . 12 TYR CB . 52542 1 52 . 1 . 1 12 12 TYR N N 15 121.411 0.04 . 1 . . . . . 12 TYR N . 52542 1 53 . 1 . 1 13 13 PHE H H 1 8.964 0.01 . 1 . . . . . 13 PHE H . 52542 1 54 . 1 . 1 13 13 PHE C C 13 176.308 0.00 . 1 . . . . . 13 PHE C . 52542 1 55 . 1 . 1 13 13 PHE CA C 13 60.034 0.02 . 1 . . . . . 13 PHE CA . 52542 1 56 . 1 . 1 13 13 PHE CB C 13 39.543 0.03 . 1 . . . . . 13 PHE CB . 52542 1 57 . 1 . 1 13 13 PHE N N 15 120.246 0.03 . 1 . . . . . 13 PHE N . 52542 1 58 . 1 . 1 14 14 ARG H H 1 8.349 0.00 . 1 . . . . . 14 ARG H . 52542 1 59 . 1 . 1 14 14 ARG C C 13 178.796 0.03 . 1 . . . . . 14 ARG C . 52542 1 60 . 1 . 1 14 14 ARG CA C 13 57.505 0.08 . 1 . . . . . 14 ARG CA . 52542 1 61 . 1 . 1 14 14 ARG CB C 13 26.989 0.05 . 1 . . . . . 14 ARG CB . 52542 1 62 . 1 . 1 14 14 ARG N N 15 115.828 0.05 . 1 . . . . . 14 ARG N . 52542 1 63 . 1 . 1 15 15 GLN H H 1 7.957 0.01 . 1 . . . . . 15 GLN H . 52542 1 64 . 1 . 1 15 15 GLN C C 13 179.190 0.00 . 1 . . . . . 15 GLN C . 52542 1 65 . 1 . 1 15 15 GLN CA C 13 58.116 0.02 . 1 . . . . . 15 GLN CA . 52542 1 66 . 1 . 1 15 15 GLN CB C 13 27.459 0.08 . 1 . . . . . 15 GLN CB . 52542 1 67 . 1 . 1 15 15 GLN N N 15 119.609 0.04 . 1 . . . . . 15 GLN N . 52542 1 68 . 1 . 1 16 16 GLU H H 1 8.304 0.00 . 1 . . . . . 16 GLU H . 52542 1 69 . 1 . 1 16 16 GLU CA C 13 57.470 0.00 . 1 . . . . . 16 GLU CA . 52542 1 70 . 1 . 1 16 16 GLU CB C 13 28.675 0.00 . 1 . . . . . 16 GLU CB . 52542 1 71 . 1 . 1 16 16 GLU N N 15 120.254 0.02 . 1 . . . . . 16 GLU N . 52542 1 72 . 1 . 1 17 17 LEU C C 13 179.441 0.00 . 1 . . . . . 17 LEU C . 52542 1 73 . 1 . 1 17 17 LEU CA C 13 57.136 0.00 . 1 . . . . . 17 LEU CA . 52542 1 74 . 1 . 1 17 17 LEU CB C 13 40.089 0.00 . 1 . . . . . 17 LEU CB . 52542 1 75 . 1 . 1 18 18 GLU H H 1 7.786 0.00 . 1 . . . . . 18 GLU H . 52542 1 76 . 1 . 1 18 18 GLU C C 13 179.947 0.01 . 1 . . . . . 18 GLU C . 52542 1 77 . 1 . 1 18 18 GLU CA C 13 58.345 0.00 . 1 . . . . . 18 GLU CA . 52542 1 78 . 1 . 1 18 18 GLU CB C 13 27.742 0.14 . 1 . . . . . 18 GLU CB . 52542 1 79 . 1 . 1 18 18 GLU N N 15 117.657 0.03 . 1 . . . . . 18 GLU N . 52542 1 80 . 1 . 1 19 19 ARG H H 1 7.761 0.00 . 1 . . . . . 19 ARG H . 52542 1 81 . 1 . 1 19 19 ARG C C 13 179.609 0.02 . 1 . . . . . 19 ARG C . 52542 1 82 . 1 . 1 19 19 ARG CA C 13 58.451 0.05 . 1 . . . . . 19 ARG CA . 52542 1 83 . 1 . 1 19 19 ARG CB C 13 28.800 0.03 . 1 . . . . . 19 ARG CB . 52542 1 84 . 1 . 1 19 19 ARG N N 15 120.567 0.03 . 1 . . . . . 19 ARG N . 52542 1 85 . 1 . 1 20 20 LEU H H 1 7.634 0.00 . 1 . . . . . 20 LEU H . 52542 1 86 . 1 . 1 20 20 LEU C C 13 177.962 0.01 . 1 . . . . . 20 LEU C . 52542 1 87 . 1 . 1 20 20 LEU CA C 13 56.055 0.02 . 1 . . . . . 20 LEU CA . 52542 1 88 . 1 . 1 20 20 LEU CB C 13 40.071 0.03 . 1 . . . . . 20 LEU CB . 52542 1 89 . 1 . 1 20 20 LEU N N 15 118.355 0.05 . 1 . . . . . 20 LEU N . 52542 1 90 . 1 . 1 21 21 ASP H H 1 7.293 0.00 . 1 . . . . . 21 ASP H . 52542 1 91 . 1 . 1 21 21 ASP C C 13 176.679 0.00 . 1 . . . . . 21 ASP C . 52542 1 92 . 1 . 1 21 21 ASP CA C 13 53.313 0.01 . 1 . . . . . 21 ASP CA . 52542 1 93 . 1 . 1 21 21 ASP CB C 13 39.934 0.00 . 1 . . . . . 21 ASP CB . 52542 1 94 . 1 . 1 21 21 ASP N N 15 117.205 0.02 . 1 . . . . . 21 ASP N . 52542 1 95 . 1 . 1 22 22 GLU H H 1 7.272 0.01 . 1 . . . . . 22 GLU H . 52542 1 96 . 1 . 1 22 22 GLU C C 13 177.377 0.01 . 1 . . . . . 22 GLU C . 52542 1 97 . 1 . 1 22 22 GLU CA C 13 58.158 0.03 . 1 . . . . . 22 GLU CA . 52542 1 98 . 1 . 1 22 22 GLU CB C 13 28.129 0.05 . 1 . . . . . 22 GLU CB . 52542 1 99 . 1 . 1 22 22 GLU N N 15 121.992 0.02 . 1 . . . . . 22 GLU N . 52542 1 100 . 1 . 1 23 23 GLY H H 1 8.754 0.00 . 1 . . . . . 23 GLY H . 52542 1 101 . 1 . 1 23 23 GLY C C 13 174.212 0.00 . 1 . . . . . 23 GLY C . 52542 1 102 . 1 . 1 23 23 GLY CA C 13 44.257 0.07 . 1 . . . . . 23 GLY CA . 52542 1 103 . 1 . 1 23 23 GLY N N 15 111.341 0.04 . 1 . . . . . 23 GLY N . 52542 1 104 . 1 . 1 24 24 LEU H H 1 7.694 0.00 . 1 . . . . . 24 LEU H . 52542 1 105 . 1 . 1 24 24 LEU C C 13 176.780 0.01 . 1 . . . . . 24 LEU C . 52542 1 106 . 1 . 1 24 24 LEU CA C 13 54.069 0.01 . 1 . . . . . 24 LEU CA . 52542 1 107 . 1 . 1 24 24 LEU CB C 13 41.051 0.03 . 1 . . . . . 24 LEU CB . 52542 1 108 . 1 . 1 24 24 LEU N N 15 121.546 0.01 . 1 . . . . . 24 LEU N . 52542 1 109 . 1 . 1 25 25 ARG H H 1 8.707 0.00 . 1 . . . . . 25 ARG H . 52542 1 110 . 1 . 1 25 25 ARG C C 13 174.999 0.00 . 1 . . . . . 25 ARG C . 52542 1 111 . 1 . 1 25 25 ARG CA C 13 54.264 0.06 . 1 . . . . . 25 ARG CA . 52542 1 112 . 1 . 1 25 25 ARG CB C 13 27.919 0.07 . 1 . . . . . 25 ARG CB . 52542 1 113 . 1 . 1 25 25 ARG N N 15 126.920 0.02 . 1 . . . . . 25 ARG N . 52542 1 114 . 1 . 1 26 26 LYS H H 1 8.220 0.00 . 1 . . . . . 26 LYS H . 52542 1 115 . 1 . 1 26 26 LYS C C 13 175.950 0.00 . 1 . . . . . 26 LYS C . 52542 1 116 . 1 . 1 26 26 LYS CA C 13 56.272 0.02 . 1 . . . . . 26 LYS CA . 52542 1 117 . 1 . 1 26 26 LYS CB C 13 32.915 0.10 . 1 . . . . . 26 LYS CB . 52542 1 118 . 1 . 1 26 26 LYS N N 15 124.333 0.01 . 1 . . . . . 26 LYS N . 52542 1 119 . 1 . 1 27 27 GLU H H 1 8.020 0.00 . 1 . . . . . 27 GLU H . 52542 1 120 . 1 . 1 27 27 GLU C C 13 174.734 0.01 . 1 . . . . . 27 GLU C . 52542 1 121 . 1 . 1 27 27 GLU CA C 13 53.304 0.01 . 1 . . . . . 27 GLU CA . 52542 1 122 . 1 . 1 27 27 GLU CB C 13 32.124 0.09 . 1 . . . . . 27 GLU CB . 52542 1 123 . 1 . 1 27 27 GLU N N 15 120.706 0.04 . 1 . . . . . 27 GLU N . 52542 1 124 . 1 . 1 28 28 ASP H H 1 8.251 0.00 . 1 . . . . . 28 ASP H . 52542 1 125 . 1 . 1 28 28 ASP C C 13 175.465 0.01 . 1 . . . . . 28 ASP C . 52542 1 126 . 1 . 1 28 28 ASP CA C 13 53.831 0.02 . 1 . . . . . 28 ASP CA . 52542 1 127 . 1 . 1 28 28 ASP CB C 13 40.146 0.08 . 1 . . . . . 28 ASP CB . 52542 1 128 . 1 . 1 28 28 ASP N N 15 119.913 0.01 . 1 . . . . . 28 ASP N . 52542 1 129 . 1 . 1 29 29 MET H H 1 9.020 0.00 . 1 . . . . . 29 MET H . 52542 1 130 . 1 . 1 29 29 MET C C 13 172.754 0.00 . 1 . . . . . 29 MET C . 52542 1 131 . 1 . 1 29 29 MET CA C 13 53.905 0.03 . 1 . . . . . 29 MET CA . 52542 1 132 . 1 . 1 29 29 MET CB C 13 35.739 0.11 . 1 . . . . . 29 MET CB . 52542 1 133 . 1 . 1 29 29 MET N N 15 126.532 0.04 . 1 . . . . . 29 MET N . 52542 1 134 . 1 . 1 30 30 ALA H H 1 8.397 0.00 . 1 . . . . . 30 ALA H . 52542 1 135 . 1 . 1 30 30 ALA C C 13 177.391 0.00 . 1 . . . . . 30 ALA C . 52542 1 136 . 1 . 1 30 30 ALA CA C 13 51.116 0.00 . 1 . . . . . 30 ALA CA . 52542 1 137 . 1 . 1 30 30 ALA CB C 13 18.372 0.00 . 1 . . . . . 30 ALA CB . 52542 1 138 . 1 . 1 30 30 ALA N N 15 129.879 0.03 . 1 . . . . . 30 ALA N . 52542 1 139 . 1 . 1 31 31 VAL C C 13 173.488 0.01 . 1 . . . . . 31 VAL C . 52542 1 140 . 1 . 1 31 31 VAL CA C 13 60.514 0.04 . 1 . . . . . 31 VAL CA . 52542 1 141 . 1 . 1 31 31 VAL CB C 13 32.051 0.00 . 1 . . . . . 31 VAL CB . 52542 1 142 . 1 . 1 32 32 HIS H H 1 8.927 0.01 . 1 . . . . . 32 HIS H . 52542 1 143 . 1 . 1 32 32 HIS C C 13 174.357 0.02 . 1 . . . . . 32 HIS C . 52542 1 144 . 1 . 1 32 32 HIS CA C 13 55.069 0.01 . 1 . . . . . 32 HIS CA . 52542 1 145 . 1 . 1 32 32 HIS CB C 13 28.022 0.06 . 1 . . . . . 32 HIS CB . 52542 1 146 . 1 . 1 32 32 HIS N N 15 127.014 0.03 . 1 . . . . . 32 HIS N . 52542 1 147 . 1 . 1 33 33 VAL H H 1 8.336 0.00 . 1 . . . . . 33 VAL H . 52542 1 148 . 1 . 1 33 33 VAL C C 13 174.249 0.00 . 1 . . . . . 33 VAL C . 52542 1 149 . 1 . 1 33 33 VAL CA C 13 57.157 0.00 . 1 . . . . . 33 VAL CA . 52542 1 150 . 1 . 1 33 33 VAL CB C 13 34.984 0.00 . 1 . . . . . 33 VAL CB . 52542 1 151 . 1 . 1 33 33 VAL N N 15 113.426 0.04 . 1 . . . . . 33 VAL N . 52542 1 152 . 1 . 1 34 34 ARG C C 13 178.327 0.01 . 1 . . . . . 34 ARG C . 52542 1 153 . 1 . 1 34 34 ARG CA C 13 53.889 0.02 . 1 . . . . . 34 ARG CA . 52542 1 154 . 1 . 1 34 34 ARG CB C 13 29.877 0.00 . 1 . . . . . 34 ARG CB . 52542 1 155 . 1 . 1 35 35 ARG H H 1 9.275 0.00 . 1 . . . . . 35 ARG H . 52542 1 156 . 1 . 1 35 35 ARG C C 13 176.358 0.01 . 1 . . . . . 35 ARG C . 52542 1 157 . 1 . 1 35 35 ARG CA C 13 59.276 0.02 . 1 . . . . . 35 ARG CA . 52542 1 158 . 1 . 1 35 35 ARG CB C 13 29.050 0.05 . 1 . . . . . 35 ARG CB . 52542 1 159 . 1 . 1 35 35 ARG N N 15 124.150 0.02 . 1 . . . . . 35 ARG N . 52542 1 160 . 1 . 1 36 36 ASP H H 1 8.623 0.01 . 1 . . . . . 36 ASP H . 52542 1 161 . 1 . 1 36 36 ASP C C 13 175.769 0.00 . 1 . . . . . 36 ASP C . 52542 1 162 . 1 . 1 36 36 ASP CA C 13 53.380 0.01 . 1 . . . . . 36 ASP CA . 52542 1 163 . 1 . 1 36 36 ASP N N 15 112.784 0.03 . 1 . . . . . 36 ASP N . 52542 1 164 . 1 . 1 37 37 HIS H H 1 7.937 0.01 . 1 . . . . . 37 HIS H . 52542 1 165 . 1 . 1 37 37 HIS C C 13 174.795 0.01 . 1 . . . . . 37 HIS C . 52542 1 166 . 1 . 1 37 37 HIS CA C 13 54.057 0.09 . 1 . . . . . 37 HIS CA . 52542 1 167 . 1 . 1 37 37 HIS CB C 13 28.764 0.00 . 1 . . . . . 37 HIS CB . 52542 1 168 . 1 . 1 37 37 HIS N N 15 118.989 0.08 . 1 . . . . . 37 HIS N . 52542 1 169 . 1 . 1 38 38 VAL H H 1 8.146 0.01 . 1 . . . . . 38 VAL H . 52542 1 170 . 1 . 1 38 38 VAL C C 13 179.324 0.00 . 1 . . . . . 38 VAL C . 52542 1 171 . 1 . 1 38 38 VAL CA C 13 67.706 0.00 . 1 . . . . . 38 VAL CA . 52542 1 172 . 1 . 1 38 38 VAL CB C 13 30.378 0.00 . 1 . . . . . 38 VAL CB . 52542 1 173 . 1 . 1 38 38 VAL N N 15 120.412 0.05 . 1 . . . . . 38 VAL N . 52542 1 174 . 1 . 1 39 39 PHE H H 1 9.532 0.01 . 1 . . . . . 39 PHE H . 52542 1 175 . 1 . 1 39 39 PHE C C 13 175.953 0.00 . 1 . . . . . 39 PHE C . 52542 1 176 . 1 . 1 39 39 PHE CA C 13 62.396 0.02 . 1 . . . . . 39 PHE CA . 52542 1 177 . 1 . 1 39 39 PHE CB C 13 38.573 0.03 . 1 . . . . . 39 PHE CB . 52542 1 178 . 1 . 1 39 39 PHE N N 15 124.389 0.04 . 1 . . . . . 39 PHE N . 52542 1 179 . 1 . 1 40 40 GLU H H 1 9.122 0.00 . 1 . . . . . 40 GLU H . 52542 1 180 . 1 . 1 40 40 GLU C C 13 179.727 0.03 . 1 . . . . . 40 GLU C . 52542 1 181 . 1 . 1 40 40 GLU CA C 13 58.843 0.03 . 1 . . . . . 40 GLU CA . 52542 1 182 . 1 . 1 40 40 GLU CB C 13 28.790 0.07 . 1 . . . . . 40 GLU CB . 52542 1 183 . 1 . 1 40 40 GLU N N 15 118.110 0.03 . 1 . . . . . 40 GLU N . 52542 1 184 . 1 . 1 41 41 ASP H H 1 8.934 0.00 . 1 . . . . . 41 ASP H . 52542 1 185 . 1 . 1 41 41 ASP C C 13 178.361 0.00 . 1 . . . . . 41 ASP C . 52542 1 186 . 1 . 1 41 41 ASP CA C 13 56.724 0.00 . 1 . . . . . 41 ASP CA . 52542 1 187 . 1 . 1 41 41 ASP CB C 13 38.790 0.00 . 1 . . . . . 41 ASP CB . 52542 1 188 . 1 . 1 41 41 ASP N N 15 119.970 0.02 . 1 . . . . . 41 ASP N . 52542 1 189 . 1 . 1 43 43 TYR CA C 13 60.200 0.00 . 1 . . . . . 43 TYR CA . 52542 1 190 . 1 . 1 43 43 TYR CB C 13 35.343 0.00 . 1 . . . . . 43 TYR CB . 52542 1 191 . 1 . 1 44 44 ARG H H 1 8.114 0.00 . 1 . . . . . 44 ARG H . 52542 1 192 . 1 . 1 44 44 ARG C C 13 178.760 0.00 . 1 . . . . . 44 ARG C . 52542 1 193 . 1 . 1 44 44 ARG CA C 13 59.531 0.01 . 1 . . . . . 44 ARG CA . 52542 1 194 . 1 . 1 44 44 ARG CB C 13 28.285 0.18 . 1 . . . . . 44 ARG CB . 52542 1 195 . 1 . 1 44 44 ARG N N 15 122.173 0.01 . 1 . . . . . 44 ARG N . 52542 1 196 . 1 . 1 45 45 GLU H H 1 8.082 0.00 . 1 . . . . . 45 GLU H . 52542 1 197 . 1 . 1 45 45 GLU C C 13 178.497 0.00 . 1 . . . . . 45 GLU C . 52542 1 198 . 1 . 1 45 45 GLU CA C 13 57.541 0.06 . 1 . . . . . 45 GLU CA . 52542 1 199 . 1 . 1 45 45 GLU CB C 13 30.998 0.13 . 1 . . . . . 45 GLU CB . 52542 1 200 . 1 . 1 45 45 GLU N N 15 115.228 0.05 . 1 . . . . . 45 GLU N . 52542 1 201 . 1 . 1 46 46 LEU H H 1 8.042 0.00 . 1 . . . . . 46 LEU H . 52542 1 202 . 1 . 1 46 46 LEU C C 13 180.695 0.00 . 1 . . . . . 46 LEU C . 52542 1 203 . 1 . 1 46 46 LEU CA C 13 54.660 0.00 . 1 . . . . . 46 LEU CA . 52542 1 204 . 1 . 1 46 46 LEU CB C 13 43.426 0.00 . 1 . . . . . 46 LEU CB . 52542 1 205 . 1 . 1 46 46 LEU N N 15 112.837 0.01 . 1 . . . . . 46 LEU N . 52542 1 206 . 1 . 1 47 47 HIS H H 1 8.620 0.00 . 1 . . . . . 47 HIS H . 52542 1 207 . 1 . 1 47 47 HIS C C 13 175.231 0.01 . 1 . . . . . 47 HIS C . 52542 1 208 . 1 . 1 47 47 HIS CA C 13 59.736 0.00 . 1 . . . . . 47 HIS CA . 52542 1 209 . 1 . 1 47 47 HIS CB C 13 26.062 0.03 . 1 . . . . . 47 HIS CB . 52542 1 210 . 1 . 1 47 47 HIS N N 15 119.853 0.03 . 1 . . . . . 47 HIS N . 52542 1 211 . 1 . 1 48 48 ARG H H 1 7.851 0.01 . 1 . . . . . 48 ARG H . 52542 1 212 . 1 . 1 48 48 ARG C C 13 177.245 0.01 . 1 . . . . . 48 ARG C . 52542 1 213 . 1 . 1 48 48 ARG CA C 13 54.207 0.02 . 1 . . . . . 48 ARG CA . 52542 1 214 . 1 . 1 48 48 ARG CB C 13 27.951 0.11 . 1 . . . . . 48 ARG CB . 52542 1 215 . 1 . 1 48 48 ARG N N 15 115.573 0.02 . 1 . . . . . 48 ARG N . 52542 1 216 . 1 . 1 49 49 LYS H H 1 6.863 0.00 . 1 . . . . . 49 LYS H . 52542 1 217 . 1 . 1 49 49 LYS C C 13 176.870 0.01 . 1 . . . . . 49 LYS C . 52542 1 218 . 1 . 1 49 49 LYS CA C 13 54.161 0.02 . 1 . . . . . 49 LYS CA . 52542 1 219 . 1 . 1 49 49 LYS CB C 13 30.631 0.19 . 1 . . . . . 49 LYS CB . 52542 1 220 . 1 . 1 49 49 LYS N N 15 118.424 0.02 . 1 . . . . . 49 LYS N . 52542 1 221 . 1 . 1 50 50 SER H H 1 9.629 0.00 . 1 . . . . . 50 SER H . 52542 1 222 . 1 . 1 50 50 SER C C 13 175.135 0.00 . 1 . . . . . 50 SER C . 52542 1 223 . 1 . 1 50 50 SER CA C 13 56.042 0.00 . 1 . . . . . 50 SER CA . 52542 1 224 . 1 . 1 50 50 SER CB C 13 62.174 0.00 . 1 . . . . . 50 SER CB . 52542 1 225 . 1 . 1 50 50 SER N N 15 120.884 0.04 . 1 . . . . . 50 SER N . 52542 1 226 . 1 . 1 51 51 PRO C C 13 177.629 0.00 . 1 . . . . . 51 PRO C . 52542 1 227 . 1 . 1 51 51 PRO CA C 13 65.001 0.02 . 1 . . . . . 51 PRO CA . 52542 1 228 . 1 . 1 51 51 PRO CB C 13 30.169 0.00 . 1 . . . . . 51 PRO CB . 52542 1 229 . 1 . 1 52 52 GLU H H 1 8.014 0.00 . 1 . . . . . 52 GLU H . 52542 1 230 . 1 . 1 52 52 GLU C C 13 180.434 0.01 . 1 . . . . . 52 GLU C . 52542 1 231 . 1 . 1 52 52 GLU CA C 13 60.023 0.01 . 1 . . . . . 52 GLU CA . 52542 1 232 . 1 . 1 52 52 GLU CB C 13 27.541 0.01 . 1 . . . . . 52 GLU CB . 52542 1 233 . 1 . 1 52 52 GLU N N 15 113.564 0.02 . 1 . . . . . 52 GLU N . 52542 1 234 . 1 . 1 53 53 GLU H H 1 7.786 0.01 . 1 . . . . . 53 GLU H . 52542 1 235 . 1 . 1 53 53 GLU C C 13 178.558 0.01 . 1 . . . . . 53 GLU C . 52542 1 236 . 1 . 1 53 53 GLU CA C 13 57.765 0.08 . 1 . . . . . 53 GLU CA . 52542 1 237 . 1 . 1 53 53 GLU CB C 13 29.192 0.08 . 1 . . . . . 53 GLU CB . 52542 1 238 . 1 . 1 53 53 GLU N N 15 120.659 0.02 . 1 . . . . . 53 GLU N . 52542 1 239 . 1 . 1 54 54 MET H H 1 7.371 0.00 . 1 . . . . . 54 MET H . 52542 1 240 . 1 . 1 54 54 MET C C 13 176.220 0.01 . 1 . . . . . 54 MET C . 52542 1 241 . 1 . 1 54 54 MET CA C 13 52.756 0.05 . 1 . . . . . 54 MET CA . 52542 1 242 . 1 . 1 54 54 MET CB C 13 27.378 0.00 . 1 . . . . . 54 MET CB . 52542 1 243 . 1 . 1 54 54 MET N N 15 113.028 0.04 . 1 . . . . . 54 MET N . 52542 1 244 . 1 . 1 55 55 LYS H H 1 7.081 0.01 . 1 . . . . . 55 LYS H . 52542 1 245 . 1 . 1 55 55 LYS C C 13 175.826 0.00 . 1 . . . . . 55 LYS C . 52542 1 246 . 1 . 1 55 55 LYS CA C 13 56.372 0.04 . 1 . . . . . 55 LYS CA . 52542 1 247 . 1 . 1 55 55 LYS CB C 13 30.149 0.02 . 1 . . . . . 55 LYS CB . 52542 1 248 . 1 . 1 55 55 LYS N N 15 117.384 0.06 . 1 . . . . . 55 LYS N . 52542 1 249 . 1 . 1 56 56 ASN H H 1 7.175 0.00 . 1 . . . . . 56 ASN H . 52542 1 250 . 1 . 1 56 56 ASN C C 13 174.518 0.02 . 1 . . . . . 56 ASN C . 52542 1 251 . 1 . 1 56 56 ASN CA C 13 52.547 0.01 . 1 . . . . . 56 ASN CA . 52542 1 252 . 1 . 1 56 56 ASN CB C 13 38.814 0.09 . 1 . . . . . 56 ASN CB . 52542 1 253 . 1 . 1 56 56 ASN N N 15 115.533 0.04 . 1 . . . . . 56 ASN N . 52542 1 254 . 1 . 1 57 57 ARG H H 1 7.915 0.00 . 1 . . . . . 57 ARG H . 52542 1 255 . 1 . 1 57 57 ARG C C 13 175.776 0.02 . 1 . . . . . 57 ARG C . 52542 1 256 . 1 . 1 57 57 ARG CA C 13 55.014 0.03 . 1 . . . . . 57 ARG CA . 52542 1 257 . 1 . 1 57 57 ARG CB C 13 29.047 0.07 . 1 . . . . . 57 ARG CB . 52542 1 258 . 1 . 1 57 57 ARG N N 15 118.649 0.03 . 1 . . . . . 57 ARG N . 52542 1 259 . 1 . 1 58 58 LEU H H 1 8.717 0.00 . 1 . . . . . 58 LEU H . 52542 1 260 . 1 . 1 58 58 LEU C C 13 175.984 0.01 . 1 . . . . . 58 LEU C . 52542 1 261 . 1 . 1 58 58 LEU CA C 13 53.891 0.00 . 1 . . . . . 58 LEU CA . 52542 1 262 . 1 . 1 58 58 LEU CB C 13 39.950 0.00 . 1 . . . . . 58 LEU CB . 52542 1 263 . 1 . 1 58 58 LEU N N 15 124.519 0.02 . 1 . . . . . 58 LEU N . 52542 1 264 . 1 . 1 59 59 TYR H H 1 8.215 0.01 . 1 . . . . . 59 TYR H . 52542 1 265 . 1 . 1 59 59 TYR C C 13 172.681 0.02 . 1 . . . . . 59 TYR C . 52542 1 266 . 1 . 1 59 59 TYR CA C 13 55.376 0.04 . 1 . . . . . 59 TYR CA . 52542 1 267 . 1 . 1 59 59 TYR CB C 13 37.947 0.13 . 1 . . . . . 59 TYR CB . 52542 1 268 . 1 . 1 59 59 TYR N N 15 125.018 0.04 . 1 . . . . . 59 TYR N . 52542 1 269 . 1 . 1 60 60 ILE H H 1 7.958 0.00 . 1 . . . . . 60 ILE H . 52542 1 270 . 1 . 1 60 60 ILE C C 13 174.728 0.01 . 1 . . . . . 60 ILE C . 52542 1 271 . 1 . 1 60 60 ILE CA C 13 57.784 0.05 . 1 . . . . . 60 ILE CA . 52542 1 272 . 1 . 1 60 60 ILE CB C 13 34.374 0.00 . 1 . . . . . 60 ILE CB . 52542 1 273 . 1 . 1 60 60 ILE N N 15 124.545 0.01 . 1 . . . . . 60 ILE N . 52542 1 274 . 1 . 1 61 61 VAL H H 1 8.282 0.00 . 1 . . . . . 61 VAL H . 52542 1 275 . 1 . 1 61 61 VAL C C 13 175.976 0.01 . 1 . . . . . 61 VAL C . 52542 1 276 . 1 . 1 61 61 VAL CA C 13 60.192 0.03 . 1 . . . . . 61 VAL CA . 52542 1 277 . 1 . 1 61 61 VAL CB C 13 31.888 0.11 . 1 . . . . . 61 VAL CB . 52542 1 278 . 1 . 1 61 61 VAL N N 15 127.155 0.01 . 1 . . . . . 61 VAL N . 52542 1 279 . 1 . 1 62 62 PHE H H 1 8.593 0.00 . 1 . . . . . 62 PHE H . 52542 1 280 . 1 . 1 62 62 PHE C C 13 177.000 0.00 . 1 . . . . . 62 PHE C . 52542 1 281 . 1 . 1 62 62 PHE CA C 13 55.635 0.04 . 1 . . . . . 62 PHE CA . 52542 1 282 . 1 . 1 62 62 PHE CB C 13 37.768 0.07 . 1 . . . . . 62 PHE CB . 52542 1 283 . 1 . 1 62 62 PHE N N 15 127.238 0.04 . 1 . . . . . 62 PHE N . 52542 1 284 . 1 . 1 63 63 GLU H H 1 8.789 0.00 . 1 . . . . . 63 GLU H . 52542 1 285 . 1 . 1 63 63 GLU C C 13 178.064 0.02 . 1 . . . . . 63 GLU C . 52542 1 286 . 1 . 1 63 63 GLU CA C 13 57.285 0.04 . 1 . . . . . 63 GLU CA . 52542 1 287 . 1 . 1 63 63 GLU CB C 13 28.907 0.06 . 1 . . . . . 63 GLU CB . 52542 1 288 . 1 . 1 63 63 GLU N N 15 125.389 0.02 . 1 . . . . . 63 GLU N . 52542 1 289 . 1 . 1 64 64 GLY H H 1 8.979 0.01 . 1 . . . . . 64 GLY H . 52542 1 290 . 1 . 1 64 64 GLY C C 13 173.792 0.01 . 1 . . . . . 64 GLY C . 52542 1 291 . 1 . 1 64 64 GLY CA C 13 44.889 0.04 . 1 . . . . . 64 GLY CA . 52542 1 292 . 1 . 1 64 64 GLY N N 15 113.916 0.03 . 1 . . . . . 64 GLY N . 52542 1 293 . 1 . 1 65 65 GLU H H 1 7.847 0.00 . 1 . . . . . 65 GLU H . 52542 1 294 . 1 . 1 65 65 GLU C C 13 176.253 0.00 . 1 . . . . . 65 GLU C . 52542 1 295 . 1 . 1 65 65 GLU CA C 13 54.313 0.01 . 1 . . . . . 65 GLU CA . 52542 1 296 . 1 . 1 65 65 GLU CB C 13 29.924 0.03 . 1 . . . . . 65 GLU CB . 52542 1 297 . 1 . 1 65 65 GLU N N 15 119.372 0.02 . 1 . . . . . 65 GLU N . 52542 1 298 . 1 . 1 66 66 GLU H H 1 8.679 0.00 . 1 . . . . . 66 GLU H . 52542 1 299 . 1 . 1 66 66 GLU C C 13 177.029 0.01 . 1 . . . . . 66 GLU C . 52542 1 300 . 1 . 1 66 66 GLU CA C 13 55.612 0.13 . 1 . . . . . 66 GLU CA . 52542 1 301 . 1 . 1 66 66 GLU CB C 13 29.661 0.08 . 1 . . . . . 66 GLU CB . 52542 1 302 . 1 . 1 66 66 GLU N N 15 122.167 0.03 . 1 . . . . . 66 GLU N . 52542 1 303 . 1 . 1 67 67 GLY H H 1 8.598 0.00 . 1 . . . . . 67 GLY H . 52542 1 304 . 1 . 1 67 67 GLY C C 13 174.184 0.01 . 1 . . . . . 67 GLY C . 52542 1 305 . 1 . 1 67 67 GLY CA C 13 45.201 0.06 . 1 . . . . . 67 GLY CA . 52542 1 306 . 1 . 1 67 67 GLY N N 15 110.129 0.03 . 1 . . . . . 67 GLY N . 52542 1 307 . 1 . 1 68 68 GLN H H 1 8.053 0.00 . 1 . . . . . 68 GLN H . 52542 1 308 . 1 . 1 68 68 GLN C C 13 175.195 0.01 . 1 . . . . . 68 GLN C . 52542 1 309 . 1 . 1 68 68 GLN CA C 13 54.609 0.01 . 1 . . . . . 68 GLN CA . 52542 1 310 . 1 . 1 68 68 GLN CB C 13 29.141 0.06 . 1 . . . . . 68 GLN CB . 52542 1 311 . 1 . 1 68 68 GLN N N 15 119.473 0.03 . 1 . . . . . 68 GLN N . 52542 1 312 . 1 . 1 69 69 ASP H H 1 8.249 0.01 . 1 . . . . . 69 ASP H . 52542 1 313 . 1 . 1 69 69 ASP C C 13 176.087 0.01 . 1 . . . . . 69 ASP C . 52542 1 314 . 1 . 1 69 69 ASP CA C 13 53.359 0.01 . 1 . . . . . 69 ASP CA . 52542 1 315 . 1 . 1 69 69 ASP CB C 13 40.795 0.14 . 1 . . . . . 69 ASP CB . 52542 1 316 . 1 . 1 69 69 ASP N N 15 120.415 0.02 . 1 . . . . . 69 ASP N . 52542 1 317 . 1 . 1 70 70 ALA H H 1 8.668 0.01 . 1 . . . . . 70 ALA H . 52542 1 318 . 1 . 1 70 70 ALA C C 13 180.542 0.03 . 1 . . . . . 70 ALA C . 52542 1 319 . 1 . 1 70 70 ALA CA C 13 54.404 0.00 . 1 . . . . . 70 ALA CA . 52542 1 320 . 1 . 1 70 70 ALA CB C 13 17.554 0.07 . 1 . . . . . 70 ALA CB . 52542 1 321 . 1 . 1 70 70 ALA N N 15 127.768 0.04 . 1 . . . . . 70 ALA N . 52542 1 322 . 1 . 1 71 71 GLY H H 1 8.638 0.01 . 1 . . . . . 71 GLY H . 52542 1 323 . 1 . 1 71 71 GLY C C 13 177.019 0.02 . 1 . . . . . 71 GLY C . 52542 1 324 . 1 . 1 71 71 GLY CA C 13 46.196 0.05 . 1 . . . . . 71 GLY CA . 52542 1 325 . 1 . 1 71 71 GLY N N 15 107.772 0.04 . 1 . . . . . 71 GLY N . 52542 1 326 . 1 . 1 72 72 GLY H H 1 8.248 0.00 . 1 . . . . . 72 GLY H . 52542 1 327 . 1 . 1 72 72 GLY C C 13 176.864 0.01 . 1 . . . . . 72 GLY C . 52542 1 328 . 1 . 1 72 72 GLY CA C 13 46.199 0.09 . 1 . . . . . 72 GLY CA . 52542 1 329 . 1 . 1 72 72 GLY N N 15 111.540 0.02 . 1 . . . . . 72 GLY N . 52542 1 330 . 1 . 1 73 73 LEU H H 1 8.066 0.01 . 1 . . . . . 73 LEU H . 52542 1 331 . 1 . 1 73 73 LEU C C 13 178.577 0.01 . 1 . . . . . 73 LEU C . 52542 1 332 . 1 . 1 73 73 LEU CA C 13 56.889 0.00 . 1 . . . . . 73 LEU CA . 52542 1 333 . 1 . 1 73 73 LEU CB C 13 40.514 0.08 . 1 . . . . . 73 LEU CB . 52542 1 334 . 1 . 1 73 73 LEU N N 15 122.618 0.02 . 1 . . . . . 73 LEU N . 52542 1 335 . 1 . 1 74 74 LEU H H 1 7.869 0.00 . 1 . . . . . 74 LEU H . 52542 1 336 . 1 . 1 74 74 LEU C C 13 178.606 0.01 . 1 . . . . . 74 LEU C . 52542 1 337 . 1 . 1 74 74 LEU CA C 13 57.315 0.01 . 1 . . . . . 74 LEU CA . 52542 1 338 . 1 . 1 74 74 LEU CB C 13 40.477 0.05 . 1 . . . . . 74 LEU CB . 52542 1 339 . 1 . 1 74 74 LEU N N 15 120.261 0.02 . 1 . . . . . 74 LEU N . 52542 1 340 . 1 . 1 75 75 ARG H H 1 7.801 0.00 . 1 . . . . . 75 ARG H . 52542 1 341 . 1 . 1 75 75 ARG C C 13 179.243 0.02 . 1 . . . . . 75 ARG C . 52542 1 342 . 1 . 1 75 75 ARG CA C 13 59.312 0.02 . 1 . . . . . 75 ARG CA . 52542 1 343 . 1 . 1 75 75 ARG CB C 13 28.636 0.00 . 1 . . . . . 75 ARG CB . 52542 1 344 . 1 . 1 75 75 ARG N N 15 117.344 0.07 . 1 . . . . . 75 ARG N . 52542 1 345 . 1 . 1 76 76 GLU H H 1 8.236 0.00 . 1 . . . . . 76 GLU H . 52542 1 346 . 1 . 1 76 76 GLU C C 13 177.872 0.02 . 1 . . . . . 76 GLU C . 52542 1 347 . 1 . 1 76 76 GLU CA C 13 59.283 0.02 . 1 . . . . . 76 GLU CA . 52542 1 348 . 1 . 1 76 76 GLU N N 15 120.455 0.03 . 1 . . . . . 76 GLU N . 52542 1 349 . 1 . 1 77 77 TRP H H 1 8.968 0.00 . 1 . . . . . 77 TRP H . 52542 1 350 . 1 . 1 77 77 TRP HE1 H 1 9.553 0.00 . 1 . . . . . 77 TRP HE1 . 52542 1 351 . 1 . 1 77 77 TRP C C 13 177.012 0.00 . 1 . . . . . 77 TRP C . 52542 1 352 . 1 . 1 77 77 TRP CA C 13 62.724 0.02 . 1 . . . . . 77 TRP CA . 52542 1 353 . 1 . 1 77 77 TRP N N 15 120.710 0.05 . 1 . . . . . 77 TRP N . 52542 1 354 . 1 . 1 77 77 TRP NE1 N 15 126.075 0.00 . 1 . . . . . 77 TRP NE1 . 52542 1 355 . 1 . 1 78 78 TYR H H 1 8.663 0.00 . 1 . . . . . 78 TYR H . 52542 1 356 . 1 . 1 78 78 TYR C C 13 179.463 0.00 . 1 . . . . . 78 TYR C . 52542 1 357 . 1 . 1 78 78 TYR CA C 13 62.349 0.00 . 1 . . . . . 78 TYR CA . 52542 1 358 . 1 . 1 78 78 TYR N N 15 116.984 0.05 . 1 . . . . . 78 TYR N . 52542 1 359 . 1 . 1 79 79 MET H H 1 7.949 0.00 . 1 . . . . . 79 MET H . 52542 1 360 . 1 . 1 79 79 MET C C 13 178.448 0.05 . 1 . . . . . 79 MET C . 52542 1 361 . 1 . 1 79 79 MET CA C 13 58.383 0.01 . 1 . . . . . 79 MET CA . 52542 1 362 . 1 . 1 79 79 MET N N 15 119.259 0.06 . 1 . . . . . 79 MET N . 52542 1 363 . 1 . 1 80 80 ILE H H 1 8.605 0.00 . 1 . . . . . 80 ILE H . 52542 1 364 . 1 . 1 80 80 ILE CA C 13 64.902 0.00 . 1 . . . . . 80 ILE CA . 52542 1 365 . 1 . 1 80 80 ILE N N 15 119.604 0.01 . 1 . . . . . 80 ILE N . 52542 1 366 . 1 . 1 81 81 ILE H H 1 8.799 0.00 . 1 . . . . . 81 ILE H . 52542 1 367 . 1 . 1 81 81 ILE C C 13 176.239 0.00 . 1 . . . . . 81 ILE C . 52542 1 368 . 1 . 1 81 81 ILE N N 15 120.557 0.00 . 1 . . . . . 81 ILE N . 52542 1 369 . 1 . 1 82 82 SER H H 1 7.620 0.00 . 1 . . . . . 82 SER H . 52542 1 370 . 1 . 1 82 82 SER C C 13 173.879 0.00 . 1 . . . . . 82 SER C . 52542 1 371 . 1 . 1 82 82 SER CA C 13 60.659 0.01 . 1 . . . . . 82 SER CA . 52542 1 372 . 1 . 1 82 82 SER CB C 13 62.578 0.07 . 1 . . . . . 82 SER CB . 52542 1 373 . 1 . 1 82 82 SER N N 15 114.137 0.02 . 1 . . . . . 82 SER N . 52542 1 374 . 1 . 1 83 83 ARG H H 1 7.115 0.01 . 1 . . . . . 83 ARG H . 52542 1 375 . 1 . 1 83 83 ARG C C 13 180.219 0.01 . 1 . . . . . 83 ARG C . 52542 1 376 . 1 . 1 83 83 ARG CA C 13 57.693 0.08 . 1 . . . . . 83 ARG CA . 52542 1 377 . 1 . 1 83 83 ARG CB C 13 29.329 0.03 . 1 . . . . . 83 ARG CB . 52542 1 378 . 1 . 1 83 83 ARG N N 15 118.421 0.05 . 1 . . . . . 83 ARG N . 52542 1 379 . 1 . 1 84 84 GLU H H 1 8.556 0.00 . 1 . . . . . 84 GLU H . 52542 1 380 . 1 . 1 84 84 GLU C C 13 178.483 0.03 . 1 . . . . . 84 GLU C . 52542 1 381 . 1 . 1 84 84 GLU CA C 13 57.903 0.03 . 1 . . . . . 84 GLU CA . 52542 1 382 . 1 . 1 84 84 GLU CB C 13 29.659 0.00 . 1 . . . . . 84 GLU CB . 52542 1 383 . 1 . 1 84 84 GLU N N 15 118.853 0.03 . 1 . . . . . 84 GLU N . 52542 1 384 . 1 . 1 85 85 MET H H 1 7.695 0.00 . 1 . . . . . 85 MET H . 52542 1 385 . 1 . 1 85 85 MET C C 13 174.719 0.01 . 1 . . . . . 85 MET C . 52542 1 386 . 1 . 1 85 85 MET CA C 13 57.575 0.11 . 1 . . . . . 85 MET CA . 52542 1 387 . 1 . 1 85 85 MET CB C 13 31.120 0.00 . 1 . . . . . 85 MET CB . 52542 1 388 . 1 . 1 85 85 MET N N 15 114.631 0.03 . 1 . . . . . 85 MET N . 52542 1 389 . 1 . 1 86 86 PHE H H 1 6.389 0.00 . 1 . . . . . 86 PHE H . 52542 1 390 . 1 . 1 86 86 PHE C C 13 175.193 0.00 . 1 . . . . . 86 PHE C . 52542 1 391 . 1 . 1 86 86 PHE CA C 13 56.102 0.04 . 1 . . . . . 86 PHE CA . 52542 1 392 . 1 . 1 86 86 PHE CB C 13 36.912 0.05 . 1 . . . . . 86 PHE CB . 52542 1 393 . 1 . 1 86 86 PHE N N 15 113.818 0.03 . 1 . . . . . 86 PHE N . 52542 1 394 . 1 . 1 87 87 ASN H H 1 7.856 0.00 . 1 . . . . . 87 ASN H . 52542 1 395 . 1 . 1 87 87 ASN C C 13 176.218 0.00 . 1 . . . . . 87 ASN C . 52542 1 396 . 1 . 1 87 87 ASN CA C 13 51.384 0.00 . 1 . . . . . 87 ASN CA . 52542 1 397 . 1 . 1 87 87 ASN CB C 13 38.340 0.00 . 1 . . . . . 87 ASN CB . 52542 1 398 . 1 . 1 87 87 ASN N N 15 123.733 0.03 . 1 . . . . . 87 ASN N . 52542 1 399 . 1 . 1 88 88 PRO C C 13 178.735 0.00 . 1 . . . . . 88 PRO C . 52542 1 400 . 1 . 1 88 88 PRO CA C 13 63.977 0.00 . 1 . . . . . 88 PRO CA . 52542 1 401 . 1 . 1 88 88 PRO CB C 13 30.621 0.00 . 1 . . . . . 88 PRO CB . 52542 1 402 . 1 . 1 89 89 MET H H 1 8.515 0.00 . 1 . . . . . 89 MET H . 52542 1 403 . 1 . 1 89 89 MET C C 13 177.206 0.00 . 1 . . . . . 89 MET C . 52542 1 404 . 1 . 1 89 89 MET CA C 13 57.267 0.06 . 1 . . . . . 89 MET CA . 52542 1 405 . 1 . 1 89 89 MET CB C 13 30.846 0.02 . 1 . . . . . 89 MET CB . 52542 1 406 . 1 . 1 89 89 MET N N 15 118.126 0.02 . 1 . . . . . 89 MET N . 52542 1 407 . 1 . 1 90 90 TYR H H 1 6.998 0.01 . 1 . . . . . 90 TYR H . 52542 1 408 . 1 . 1 90 90 TYR C C 13 175.611 0.01 . 1 . . . . . 90 TYR C . 52542 1 409 . 1 . 1 90 90 TYR CA C 13 57.168 0.03 . 1 . . . . . 90 TYR CA . 52542 1 410 . 1 . 1 90 90 TYR CB C 13 37.062 0.10 . 1 . . . . . 90 TYR CB . 52542 1 411 . 1 . 1 90 90 TYR N N 15 116.234 0.02 . 1 . . . . . 90 TYR N . 52542 1 412 . 1 . 1 91 91 ALA H H 1 7.396 0.00 . 1 . . . . . 91 ALA H . 52542 1 413 . 1 . 1 91 91 ALA C C 13 175.488 0.00 . 1 . . . . . 91 ALA C . 52542 1 414 . 1 . 1 91 91 ALA CA C 13 52.415 0.06 . 1 . . . . . 91 ALA CA . 52542 1 415 . 1 . 1 91 91 ALA CB C 13 16.932 0.08 . 1 . . . . . 91 ALA CB . 52542 1 416 . 1 . 1 91 91 ALA N N 15 113.619 0.04 . 1 . . . . . 91 ALA N . 52542 1 417 . 1 . 1 92 92 LEU H H 1 7.712 0.01 . 1 . . . . . 92 LEU H . 52542 1 418 . 1 . 1 92 92 LEU C C 13 177.728 0.01 . 1 . . . . . 92 LEU C . 52542 1 419 . 1 . 1 92 92 LEU CA C 13 55.915 0.04 . 1 . . . . . 92 LEU CA . 52542 1 420 . 1 . 1 92 92 LEU CB C 13 40.611 0.09 . 1 . . . . . 92 LEU CB . 52542 1 421 . 1 . 1 92 92 LEU N N 15 115.574 0.03 . 1 . . . . . 92 LEU N . 52542 1 422 . 1 . 1 93 93 PHE H H 1 7.679 0.00 . 1 . . . . . 93 PHE H . 52542 1 423 . 1 . 1 93 93 PHE C C 13 175.058 0.02 . 1 . . . . . 93 PHE C . 52542 1 424 . 1 . 1 93 93 PHE CA C 13 55.774 0.01 . 1 . . . . . 93 PHE CA . 52542 1 425 . 1 . 1 93 93 PHE CB C 13 43.927 0.01 . 1 . . . . . 93 PHE CB . 52542 1 426 . 1 . 1 93 93 PHE N N 15 112.794 0.02 . 1 . . . . . 93 PHE N . 52542 1 427 . 1 . 1 94 94 ARG H H 1 9.585 0.00 . 1 . . . . . 94 ARG H . 52542 1 428 . 1 . 1 94 94 ARG C C 13 174.486 0.04 . 1 . . . . . 94 ARG C . 52542 1 429 . 1 . 1 94 94 ARG CA C 13 53.034 0.03 . 1 . . . . . 94 ARG CA . 52542 1 430 . 1 . 1 94 94 ARG CB C 13 32.356 0.10 . 1 . . . . . 94 ARG CB . 52542 1 431 . 1 . 1 94 94 ARG N N 15 120.176 0.04 . 1 . . . . . 94 ARG N . 52542 1 432 . 1 . 1 95 95 THR H H 1 8.476 0.00 . 1 . . . . . 95 THR H . 52542 1 433 . 1 . 1 95 95 THR C C 13 174.734 0.01 . 1 . . . . . 95 THR C . 52542 1 434 . 1 . 1 95 95 THR CA C 13 60.593 0.02 . 1 . . . . . 95 THR CA . 52542 1 435 . 1 . 1 95 95 THR CB C 13 69.226 0.02 . 1 . . . . . 95 THR CB . 52542 1 436 . 1 . 1 95 95 THR N N 15 114.119 0.02 . 1 . . . . . 95 THR N . 52542 1 437 . 1 . 1 96 96 SER H H 1 8.271 0.00 . 1 . . . . . 96 SER H . 52542 1 438 . 1 . 1 96 96 SER CA C 13 54.906 0.00 . 1 . . . . . 96 SER CA . 52542 1 439 . 1 . 1 96 96 SER CB C 13 63.516 0.00 . 1 . . . . . 96 SER CB . 52542 1 440 . 1 . 1 96 96 SER N N 15 119.377 0.03 . 1 . . . . . 96 SER N . 52542 1 441 . 1 . 1 97 97 PRO C C 13 176.351 0.00 . 1 . . . . . 97 PRO C . 52542 1 442 . 1 . 1 97 97 PRO CA C 13 62.844 0.01 . 1 . . . . . 97 PRO CA . 52542 1 443 . 1 . 1 97 97 PRO CB C 13 31.008 0.02 . 1 . . . . . 97 PRO CB . 52542 1 444 . 1 . 1 98 98 GLY H H 1 7.974 0.00 . 1 . . . . . 98 GLY H . 52542 1 445 . 1 . 1 98 98 GLY C C 13 172.992 0.00 . 1 . . . . . 98 GLY C . 52542 1 446 . 1 . 1 98 98 GLY CA C 13 44.134 0.03 . 1 . . . . . 98 GLY CA . 52542 1 447 . 1 . 1 98 98 GLY N N 15 108.679 0.04 . 1 . . . . . 98 GLY N . 52542 1 448 . 1 . 1 99 99 ASP H H 1 8.285 0.00 . 1 . . . . . 99 ASP H . 52542 1 449 . 1 . 1 99 99 ASP C C 13 176.116 0.01 . 1 . . . . . 99 ASP C . 52542 1 450 . 1 . 1 99 99 ASP CA C 13 55.276 0.04 . 1 . . . . . 99 ASP CA . 52542 1 451 . 1 . 1 99 99 ASP CB C 13 39.736 0.04 . 1 . . . . . 99 ASP CB . 52542 1 452 . 1 . 1 99 99 ASP N N 15 119.702 0.03 . 1 . . . . . 99 ASP N . 52542 1 453 . 1 . 1 100 100 ARG H H 1 7.633 0.00 . 1 . . . . . 100 ARG H . 52542 1 454 . 1 . 1 100 100 ARG C C 13 175.238 0.00 . 1 . . . . . 100 ARG C . 52542 1 455 . 1 . 1 100 100 ARG CA C 13 53.701 0.01 . 1 . . . . . 100 ARG CA . 52542 1 456 . 1 . 1 100 100 ARG CB C 13 30.098 0.03 . 1 . . . . . 100 ARG CB . 52542 1 457 . 1 . 1 100 100 ARG N N 15 117.342 0.02 . 1 . . . . . 100 ARG N . 52542 1 458 . 1 . 1 101 101 VAL H H 1 8.315 0.00 . 1 . . . . . 101 VAL H . 52542 1 459 . 1 . 1 101 101 VAL C C 13 174.986 0.02 . 1 . . . . . 101 VAL C . 52542 1 460 . 1 . 1 101 101 VAL CA C 13 63.183 0.04 . 1 . . . . . 101 VAL CA . 52542 1 461 . 1 . 1 101 101 VAL CB C 13 29.882 0.00 . 1 . . . . . 101 VAL CB . 52542 1 462 . 1 . 1 101 101 VAL N N 15 124.710 0.03 . 1 . . . . . 101 VAL N . 52542 1 463 . 1 . 1 102 102 THR H H 1 7.332 0.01 . 1 . . . . . 102 THR H . 52542 1 464 . 1 . 1 102 102 THR C C 13 173.067 0.01 . 1 . . . . . 102 THR C . 52542 1 465 . 1 . 1 102 102 THR CA C 13 58.994 0.01 . 1 . . . . . 102 THR CA . 52542 1 466 . 1 . 1 102 102 THR CB C 13 71.474 0.07 . 1 . . . . . 102 THR CB . 52542 1 467 . 1 . 1 102 102 THR N N 15 117.579 0.04 . 1 . . . . . 102 THR N . 52542 1 468 . 1 . 1 103 103 TYR H H 1 8.313 0.00 . 1 . . . . . 103 TYR H . 52542 1 469 . 1 . 1 103 103 TYR C C 13 175.396 0.03 . 1 . . . . . 103 TYR C . 52542 1 470 . 1 . 1 103 103 TYR CA C 13 57.084 0.08 . 1 . . . . . 103 TYR CA . 52542 1 471 . 1 . 1 103 103 TYR CB C 13 41.575 0.10 . 1 . . . . . 103 TYR CB . 52542 1 472 . 1 . 1 103 103 TYR N N 15 118.306 0.04 . 1 . . . . . 103 TYR N . 52542 1 473 . 1 . 1 104 104 THR H H 1 8.858 0.00 . 1 . . . . . 104 THR H . 52542 1 474 . 1 . 1 104 104 THR C C 13 174.078 0.01 . 1 . . . . . 104 THR C . 52542 1 475 . 1 . 1 104 104 THR CA C 13 57.919 0.03 . 1 . . . . . 104 THR CA . 52542 1 476 . 1 . 1 104 104 THR CB C 13 69.606 0.07 . 1 . . . . . 104 THR CB . 52542 1 477 . 1 . 1 104 104 THR N N 15 111.716 0.04 . 1 . . . . . 104 THR N . 52542 1 478 . 1 . 1 105 105 ILE H H 1 8.147 0.01 . 1 . . . . . 105 ILE H . 52542 1 479 . 1 . 1 105 105 ILE C C 13 175.044 0.05 . 1 . . . . . 105 ILE C . 52542 1 480 . 1 . 1 105 105 ILE CA C 13 62.427 0.04 . 1 . . . . . 105 ILE CA . 52542 1 481 . 1 . 1 105 105 ILE CB C 13 37.552 0.00 . 1 . . . . . 105 ILE CB . 52542 1 482 . 1 . 1 105 105 ILE N N 15 124.458 0.07 . 1 . . . . . 105 ILE N . 52542 1 483 . 1 . 1 106 106 ASN H H 1 8.643 0.00 . 1 . . . . . 106 ASN H . 52542 1 484 . 1 . 1 106 106 ASN CA C 13 49.270 0.00 . 1 . . . . . 106 ASN CA . 52542 1 485 . 1 . 1 106 106 ASN CB C 13 37.958 0.00 . 1 . . . . . 106 ASN CB . 52542 1 486 . 1 . 1 106 106 ASN N N 15 125.376 0.02 . 1 . . . . . 106 ASN N . 52542 1 487 . 1 . 1 107 107 PRO C C 13 177.876 0.00 . 1 . . . . . 107 PRO C . 52542 1 488 . 1 . 1 107 107 PRO CA C 13 63.731 0.04 . 1 . . . . . 107 PRO CA . 52542 1 489 . 1 . 1 107 107 PRO CB C 13 30.986 0.00 . 1 . . . . . 107 PRO CB . 52542 1 490 . 1 . 1 108 108 SER H H 1 7.291 0.01 . 1 . . . . . 108 SER H . 52542 1 491 . 1 . 1 108 108 SER C C 13 174.513 0.00 . 1 . . . . . 108 SER C . 52542 1 492 . 1 . 1 108 108 SER CA C 13 56.805 0.09 . 1 . . . . . 108 SER CA . 52542 1 493 . 1 . 1 108 108 SER CB C 13 61.190 0.00 . 1 . . . . . 108 SER CB . 52542 1 494 . 1 . 1 108 108 SER N N 15 112.187 0.03 . 1 . . . . . 108 SER N . 52542 1 495 . 1 . 1 109 109 SER H H 1 7.755 0.01 . 1 . . . . . 109 SER H . 52542 1 496 . 1 . 1 109 109 SER CA C 13 60.720 0.00 . 1 . . . . . 109 SER CA . 52542 1 497 . 1 . 1 109 109 SER N N 15 117.583 0.02 . 1 . . . . . 109 SER N . 52542 1 498 . 1 . 1 113 113 PRO C C 13 178.124 0.00 . 1 . . . . . 113 PRO C . 52542 1 499 . 1 . 1 113 113 PRO CA C 13 63.625 0.00 . 1 . . . . . 113 PRO CA . 52542 1 500 . 1 . 1 113 113 PRO CB C 13 30.983 0.15 . 1 . . . . . 113 PRO CB . 52542 1 501 . 1 . 1 114 114 ASN H H 1 7.728 0.00 . 1 . . . . . 114 ASN H . 52542 1 502 . 1 . 1 114 114 ASN C C 13 176.950 0.01 . 1 . . . . . 114 ASN C . 52542 1 503 . 1 . 1 114 114 ASN CA C 13 51.963 0.01 . 1 . . . . . 114 ASN CA . 52542 1 504 . 1 . 1 114 114 ASN CB C 13 38.177 0.06 . 1 . . . . . 114 ASN CB . 52542 1 505 . 1 . 1 114 114 ASN N N 15 114.324 0.05 . 1 . . . . . 114 ASN N . 52542 1 506 . 1 . 1 115 115 HIS H H 1 8.496 0.00 . 1 . . . . . 115 HIS H . 52542 1 507 . 1 . 1 115 115 HIS C C 13 175.504 0.01 . 1 . . . . . 115 HIS C . 52542 1 508 . 1 . 1 115 115 HIS CA C 13 60.077 0.05 . 1 . . . . . 115 HIS CA . 52542 1 509 . 1 . 1 115 115 HIS CB C 13 30.458 0.05 . 1 . . . . . 115 HIS CB . 52542 1 510 . 1 . 1 115 115 HIS N N 15 119.219 0.02 . 1 . . . . . 115 HIS N . 52542 1 511 . 1 . 1 116 116 LEU H H 1 7.596 0.00 . 1 . . . . . 116 LEU H . 52542 1 512 . 1 . 1 116 116 LEU C C 13 179.651 0.04 . 1 . . . . . 116 LEU C . 52542 1 513 . 1 . 1 116 116 LEU CA C 13 58.284 0.01 . 1 . . . . . 116 LEU CA . 52542 1 514 . 1 . 1 116 116 LEU CB C 13 37.963 0.16 . 1 . . . . . 116 LEU CB . 52542 1 515 . 1 . 1 116 116 LEU N N 15 119.396 0.04 . 1 . . . . . 116 LEU N . 52542 1 516 . 1 . 1 117 117 SER H H 1 7.693 0.00 . 1 . . . . . 117 SER H . 52542 1 517 . 1 . 1 117 117 SER C C 13 178.706 0.00 . 1 . . . . . 117 SER C . 52542 1 518 . 1 . 1 117 117 SER CA C 13 60.461 0.00 . 1 . . . . . 117 SER CA . 52542 1 519 . 1 . 1 117 117 SER CB C 13 61.859 0.04 . 1 . . . . . 117 SER CB . 52542 1 520 . 1 . 1 117 117 SER N N 15 114.947 0.03 . 1 . . . . . 117 SER N . 52542 1 521 . 1 . 1 118 118 TYR H H 1 8.073 0.01 . 1 . . . . . 118 TYR H . 52542 1 522 . 1 . 1 118 118 TYR C C 13 178.525 0.01 . 1 . . . . . 118 TYR C . 52542 1 523 . 1 . 1 118 118 TYR CA C 13 60.875 0.00 . 1 . . . . . 118 TYR CA . 52542 1 524 . 1 . 1 118 118 TYR CB C 13 36.716 0.00 . 1 . . . . . 118 TYR CB . 52542 1 525 . 1 . 1 118 118 TYR N N 15 121.294 0.02 . 1 . . . . . 118 TYR N . 52542 1 526 . 1 . 1 119 119 PHE H H 1 9.136 0.00 . 1 . . . . . 119 PHE H . 52542 1 527 . 1 . 1 119 119 PHE CA C 13 64.225 0.00 . 1 . . . . . 119 PHE CA . 52542 1 528 . 1 . 1 119 119 PHE N N 15 119.033 0.03 . 1 . . . . . 119 PHE N . 52542 1 529 . 1 . 1 131 131 TYR H H 1 9.607 0.00 . 1 . . . . . 131 TYR H . 52542 1 530 . 1 . 1 131 131 TYR C C 13 177.108 0.00 . 1 . . . . . 131 TYR C . 52542 1 531 . 1 . 1 131 131 TYR CA C 13 62.295 0.00 . 1 . . . . . 131 TYR CA . 52542 1 532 . 1 . 1 131 131 TYR CB C 13 37.845 0.00 . 1 . . . . . 131 TYR CB . 52542 1 533 . 1 . 1 131 131 TYR N N 15 125.820 0.00 . 1 . . . . . 131 TYR N . 52542 1 534 . 1 . 1 132 132 ASP H H 1 9.015 0.00 . 1 . . . . . 132 ASP H . 52542 1 535 . 1 . 1 132 132 ASP C C 13 175.992 0.01 . 1 . . . . . 132 ASP C . 52542 1 536 . 1 . 1 132 132 ASP CA C 13 54.171 0.07 . 1 . . . . . 132 ASP CA . 52542 1 537 . 1 . 1 132 132 ASP CB C 13 39.421 0.07 . 1 . . . . . 132 ASP CB . 52542 1 538 . 1 . 1 132 132 ASP N N 15 119.157 0.04 . 1 . . . . . 132 ASP N . 52542 1 539 . 1 . 1 133 133 ASN H H 1 8.247 0.00 . 1 . . . . . 133 ASN H . 52542 1 540 . 1 . 1 133 133 ASN C C 13 173.990 0.01 . 1 . . . . . 133 ASN C . 52542 1 541 . 1 . 1 133 133 ASN CA C 13 53.005 0.03 . 1 . . . . . 133 ASN CA . 52542 1 542 . 1 . 1 133 133 ASN CB C 13 36.266 0.08 . 1 . . . . . 133 ASN CB . 52542 1 543 . 1 . 1 133 133 ASN N N 15 119.308 0.03 . 1 . . . . . 133 ASN N . 52542 1 544 . 1 . 1 134 134 ARG H H 1 8.484 0.01 . 1 . . . . . 134 ARG H . 52542 1 545 . 1 . 1 134 134 ARG C C 13 174.104 0.01 . 1 . . . . . 134 ARG C . 52542 1 546 . 1 . 1 134 134 ARG CA C 13 52.696 0.02 . 1 . . . . . 134 ARG CA . 52542 1 547 . 1 . 1 134 134 ARG CB C 13 30.474 0.05 . 1 . . . . . 134 ARG CB . 52542 1 548 . 1 . 1 134 134 ARG N N 15 119.375 0.05 . 1 . . . . . 134 ARG N . 52542 1 549 . 1 . 1 135 135 LEU H H 1 7.759 0.00 . 1 . . . . . 135 LEU H . 52542 1 550 . 1 . 1 135 135 LEU C C 13 177.000 0.01 . 1 . . . . . 135 LEU C . 52542 1 551 . 1 . 1 135 135 LEU CA C 13 53.501 0.03 . 1 . . . . . 135 LEU CA . 52542 1 552 . 1 . 1 135 135 LEU CB C 13 41.890 0.03 . 1 . . . . . 135 LEU CB . 52542 1 553 . 1 . 1 135 135 LEU N N 15 120.887 0.01 . 1 . . . . . 135 LEU N . 52542 1 554 . 1 . 1 136 136 LEU H H 1 8.418 0.00 . 1 . . . . . 136 LEU H . 52542 1 555 . 1 . 1 136 136 LEU C C 13 176.858 0.02 . 1 . . . . . 136 LEU C . 52542 1 556 . 1 . 1 136 136 LEU CA C 13 52.323 0.01 . 1 . . . . . 136 LEU CA . 52542 1 557 . 1 . 1 136 136 LEU CB C 13 43.857 0.03 . 1 . . . . . 136 LEU CB . 52542 1 558 . 1 . 1 136 136 LEU N N 15 119.900 0.01 . 1 . . . . . 136 LEU N . 52542 1 559 . 1 . 1 137 137 GLU H H 1 8.190 0.00 . 1 . . . . . 137 GLU H . 52542 1 560 . 1 . 1 137 137 GLU C C 13 174.617 0.01 . 1 . . . . . 137 GLU C . 52542 1 561 . 1 . 1 137 137 GLU CA C 13 54.348 0.02 . 1 . . . . . 137 GLU CA . 52542 1 562 . 1 . 1 137 137 GLU CB C 13 26.843 0.07 . 1 . . . . . 137 GLU CB . 52542 1 563 . 1 . 1 137 137 GLU N N 15 121.957 0.02 . 1 . . . . . 137 GLU N . 52542 1 564 . 1 . 1 138 138 CYS H H 1 6.824 0.00 . 1 . . . . . 138 CYS H . 52542 1 565 . 1 . 1 138 138 CYS C C 13 171.421 0.02 . 1 . . . . . 138 CYS C . 52542 1 566 . 1 . 1 138 138 CYS CA C 13 55.245 0.03 . 1 . . . . . 138 CYS CA . 52542 1 567 . 1 . 1 138 138 CYS CB C 13 29.550 0.09 . 1 . . . . . 138 CYS CB . 52542 1 568 . 1 . 1 138 138 CYS N N 15 117.748 0.02 . 1 . . . . . 138 CYS N . 52542 1 569 . 1 . 1 139 139 TYR H H 1 7.573 0.00 . 1 . . . . . 139 TYR H . 52542 1 570 . 1 . 1 139 139 TYR C C 13 174.317 0.00 . 1 . . . . . 139 TYR C . 52542 1 571 . 1 . 1 139 139 TYR CA C 13 55.704 0.00 . 1 . . . . . 139 TYR CA . 52542 1 572 . 1 . 1 139 139 TYR CB C 13 37.779 0.09 . 1 . . . . . 139 TYR CB . 52542 1 573 . 1 . 1 139 139 TYR N N 15 121.854 0.03 . 1 . . . . . 139 TYR N . 52542 1 574 . 1 . 1 140 140 PHE H H 1 7.607 0.00 . 1 . . . . . 140 PHE H . 52542 1 575 . 1 . 1 140 140 PHE C C 13 175.244 0.01 . 1 . . . . . 140 PHE C . 52542 1 576 . 1 . 1 140 140 PHE CA C 13 54.752 0.06 . 1 . . . . . 140 PHE CA . 52542 1 577 . 1 . 1 140 140 PHE CB C 13 40.151 0.02 . 1 . . . . . 140 PHE CB . 52542 1 578 . 1 . 1 140 140 PHE N N 15 120.485 0.02 . 1 . . . . . 140 PHE N . 52542 1 579 . 1 . 1 141 141 THR H H 1 7.569 0.00 . 1 . . . . . 141 THR H . 52542 1 580 . 1 . 1 141 141 THR C C 13 174.431 0.03 . 1 . . . . . 141 THR C . 52542 1 581 . 1 . 1 141 141 THR CA C 13 60.449 0.01 . 1 . . . . . 141 THR CA . 52542 1 582 . 1 . 1 141 141 THR CB C 13 69.306 0.01 . 1 . . . . . 141 THR CB . 52542 1 583 . 1 . 1 141 141 THR N N 15 109.858 0.03 . 1 . . . . . 141 THR N . 52542 1 584 . 1 . 1 142 142 ARG H H 1 8.552 0.01 . 1 . . . . . 142 ARG H . 52542 1 585 . 1 . 1 142 142 ARG C C 13 179.337 0.00 . 1 . . . . . 142 ARG C . 52542 1 586 . 1 . 1 142 142 ARG CA C 13 59.282 0.00 . 1 . . . . . 142 ARG CA . 52542 1 587 . 1 . 1 142 142 ARG CB C 13 28.512 0.00 . 1 . . . . . 142 ARG CB . 52542 1 588 . 1 . 1 142 142 ARG N N 15 120.895 0.02 . 1 . . . . . 142 ARG N . 52542 1 589 . 1 . 1 149 149 LEU H H 1 7.394 0.00 . 1 . . . . . 149 LEU H . 52542 1 590 . 1 . 1 149 149 LEU C C 13 176.487 0.00 . 1 . . . . . 149 LEU C . 52542 1 591 . 1 . 1 149 149 LEU CA C 13 54.394 0.01 . 1 . . . . . 149 LEU CA . 52542 1 592 . 1 . 1 149 149 LEU CB C 13 41.537 0.00 . 1 . . . . . 149 LEU CB . 52542 1 593 . 1 . 1 149 149 LEU N N 15 116.600 0.04 . 1 . . . . . 149 LEU N . 52542 1 594 . 1 . 1 150 150 GLY H H 1 7.797 0.01 . 1 . . . . . 150 GLY H . 52542 1 595 . 1 . 1 150 150 GLY C C 13 174.907 0.05 . 1 . . . . . 150 GLY C . 52542 1 596 . 1 . 1 150 150 GLY CA C 13 45.139 0.08 . 1 . . . . . 150 GLY CA . 52542 1 597 . 1 . 1 150 150 GLY N N 15 106.762 0.05 . 1 . . . . . 150 GLY N . 52542 1 598 . 1 . 1 151 151 LYS H H 1 8.156 0.00 . 1 . . . . . 151 LYS H . 52542 1 599 . 1 . 1 151 151 LYS C C 13 175.668 0.02 . 1 . . . . . 151 LYS C . 52542 1 600 . 1 . 1 151 151 LYS CA C 13 54.109 0.00 . 1 . . . . . 151 LYS CA . 52542 1 601 . 1 . 1 151 151 LYS CB C 13 32.961 0.17 . 1 . . . . . 151 LYS CB . 52542 1 602 . 1 . 1 151 151 LYS N N 15 120.255 0.03 . 1 . . . . . 151 LYS N . 52542 1 603 . 1 . 1 152 152 SER H H 1 8.396 0.00 . 1 . . . . . 152 SER H . 52542 1 604 . 1 . 1 152 152 SER C C 13 174.735 0.00 . 1 . . . . . 152 SER C . 52542 1 605 . 1 . 1 152 152 SER CA C 13 57.885 0.01 . 1 . . . . . 152 SER CA . 52542 1 606 . 1 . 1 152 152 SER CB C 13 63.019 0.16 . 1 . . . . . 152 SER CB . 52542 1 607 . 1 . 1 152 152 SER N N 15 117.296 0.02 . 1 . . . . . 152 SER N . 52542 1 608 . 1 . 1 153 153 VAL H H 1 8.498 0.00 . 1 . . . . . 153 VAL H . 52542 1 609 . 1 . 1 153 153 VAL C C 13 175.465 0.01 . 1 . . . . . 153 VAL C . 52542 1 610 . 1 . 1 153 153 VAL CA C 13 61.031 0.05 . 1 . . . . . 153 VAL CA . 52542 1 611 . 1 . 1 153 153 VAL CB C 13 31.321 0.00 . 1 . . . . . 153 VAL CB . 52542 1 612 . 1 . 1 153 153 VAL N N 15 119.879 0.06 . 1 . . . . . 153 VAL N . 52542 1 613 . 1 . 1 154 154 ARG H H 1 8.975 0.00 . 1 . . . . . 154 ARG H . 52542 1 614 . 1 . 1 154 154 ARG C C 13 179.345 0.00 . 1 . . . . . 154 ARG C . 52542 1 615 . 1 . 1 154 154 ARG CA C 13 53.435 0.01 . 1 . . . . . 154 ARG CA . 52542 1 616 . 1 . 1 154 154 ARG CB C 13 32.958 0.00 . 1 . . . . . 154 ARG CB . 52542 1 617 . 1 . 1 154 154 ARG N N 15 123.025 0.02 . 1 . . . . . 154 ARG N . 52542 1 618 . 1 . 1 155 155 TYR H H 1 9.491 0.01 . 1 . . . . . 155 TYR H . 52542 1 619 . 1 . 1 155 155 TYR C C 13 176.667 0.00 . 1 . . . . . 155 TYR C . 52542 1 620 . 1 . 1 155 155 TYR CA C 13 60.889 0.02 . 1 . . . . . 155 TYR CA . 52542 1 621 . 1 . 1 155 155 TYR CB C 13 35.992 0.00 . 1 . . . . . 155 TYR CB . 52542 1 622 . 1 . 1 155 155 TYR N N 15 122.163 0.11 . 1 . . . . . 155 TYR N . 52542 1 623 . 1 . 1 156 156 THR H H 1 6.145 0.01 . 1 . . . . . 156 THR H . 52542 1 624 . 1 . 1 156 156 THR C C 13 177.963 0.02 . 1 . . . . . 156 THR C . 52542 1 625 . 1 . 1 156 156 THR CA C 13 62.734 0.05 . 1 . . . . . 156 THR CA . 52542 1 626 . 1 . 1 156 156 THR CB C 13 66.496 0.12 . 1 . . . . . 156 THR CB . 52542 1 627 . 1 . 1 156 156 THR N N 15 108.366 0.04 . 1 . . . . . 156 THR N . 52542 1 628 . 1 . 1 157 157 ASP H H 1 8.105 0.00 . 1 . . . . . 157 ASP H . 52542 1 629 . 1 . 1 157 157 ASP C C 13 178.844 0.00 . 1 . . . . . 157 ASP C . 52542 1 630 . 1 . 1 157 157 ASP CA C 13 56.010 0.00 . 1 . . . . . 157 ASP CA . 52542 1 631 . 1 . 1 157 157 ASP CB C 13 39.540 0.00 . 1 . . . . . 157 ASP CB . 52542 1 632 . 1 . 1 157 157 ASP N N 15 122.225 0.02 . 1 . . . . . 157 ASP N . 52542 1 633 . 1 . 1 158 158 MET H H 1 7.765 0.00 . 1 . . . . . 158 MET H . 52542 1 634 . 1 . 1 158 158 MET C C 13 176.342 0.00 . 1 . . . . . 158 MET C . 52542 1 635 . 1 . 1 158 158 MET CA C 13 55.049 0.06 . 1 . . . . . 158 MET CA . 52542 1 636 . 1 . 1 158 158 MET N N 15 115.324 0.03 . 1 . . . . . 158 MET N . 52542 1 637 . 1 . 1 159 159 GLU H H 1 6.653 0.00 . 1 . . . . . 159 GLU H . 52542 1 638 . 1 . 1 159 159 GLU C C 13 176.002 0.00 . 1 . . . . . 159 GLU C . 52542 1 639 . 1 . 1 159 159 GLU CA C 13 59.703 0.03 . 1 . . . . . 159 GLU CA . 52542 1 640 . 1 . 1 159 159 GLU CB C 13 27.283 0.13 . 1 . . . . . 159 GLU CB . 52542 1 641 . 1 . 1 159 159 GLU N N 15 120.515 0.01 . 1 . . . . . 159 GLU N . 52542 1 642 . 1 . 1 160 160 SER H H 1 7.513 0.00 . 1 . . . . . 160 SER H . 52542 1 643 . 1 . 1 160 160 SER C C 13 175.266 0.00 . 1 . . . . . 160 SER C . 52542 1 644 . 1 . 1 160 160 SER CA C 13 58.502 0.01 . 1 . . . . . 160 SER CA . 52542 1 645 . 1 . 1 160 160 SER CB C 13 62.652 0.06 . 1 . . . . . 160 SER CB . 52542 1 646 . 1 . 1 160 160 SER N N 15 106.860 0.04 . 1 . . . . . 160 SER N . 52542 1 647 . 1 . 1 161 161 GLU H H 1 7.011 0.00 . 1 . . . . . 161 GLU H . 52542 1 648 . 1 . 1 161 161 GLU C C 13 176.130 0.03 . 1 . . . . . 161 GLU C . 52542 1 649 . 1 . 1 161 161 GLU CA C 13 57.410 0.00 . 1 . . . . . 161 GLU CA . 52542 1 650 . 1 . 1 161 161 GLU CB C 13 30.566 0.08 . 1 . . . . . 161 GLU CB . 52542 1 651 . 1 . 1 161 161 GLU N N 15 119.914 0.04 . 1 . . . . . 161 GLU N . 52542 1 652 . 1 . 1 162 162 ASP H H 1 8.441 0.00 . 1 . . . . . 162 ASP H . 52542 1 653 . 1 . 1 162 162 ASP C C 13 174.405 0.03 . 1 . . . . . 162 ASP C . 52542 1 654 . 1 . 1 162 162 ASP CA C 13 52.737 0.01 . 1 . . . . . 162 ASP CA . 52542 1 655 . 1 . 1 162 162 ASP CB C 13 39.965 0.00 . 1 . . . . . 162 ASP CB . 52542 1 656 . 1 . 1 162 162 ASP N N 15 118.669 0.07 . 1 . . . . . 162 ASP N . 52542 1 657 . 1 . 1 163 163 TYR H H 1 8.876 0.00 . 1 . . . . . 163 TYR H . 52542 1 658 . 1 . 1 163 163 TYR C C 13 177.228 0.03 . 1 . . . . . 163 TYR C . 52542 1 659 . 1 . 1 163 163 TYR CA C 13 61.981 0.05 . 1 . . . . . 163 TYR CA . 52542 1 660 . 1 . 1 163 163 TYR CB C 13 37.775 0.02 . 1 . . . . . 163 TYR CB . 52542 1 661 . 1 . 1 163 163 TYR N N 15 126.245 0.02 . 1 . . . . . 163 TYR N . 52542 1 662 . 1 . 1 164 164 HIS H H 1 8.594 0.01 . 1 . . . . . 164 HIS H . 52542 1 663 . 1 . 1 164 164 HIS C C 13 178.357 0.02 . 1 . . . . . 164 HIS C . 52542 1 664 . 1 . 1 164 164 HIS CA C 13 59.087 0.02 . 1 . . . . . 164 HIS CA . 52542 1 665 . 1 . 1 164 164 HIS CB C 13 28.670 0.00 . 1 . . . . . 164 HIS CB . 52542 1 666 . 1 . 1 164 164 HIS N N 15 116.628 0.03 . 1 . . . . . 164 HIS N . 52542 1 667 . 1 . 1 165 165 PHE H H 1 7.892 0.00 . 1 . . . . . 165 PHE H . 52542 1 668 . 1 . 1 165 165 PHE C C 13 178.591 0.00 . 1 . . . . . 165 PHE C . 52542 1 669 . 1 . 1 165 165 PHE CA C 13 60.207 0.07 . 1 . . . . . 165 PHE CA . 52542 1 670 . 1 . 1 165 165 PHE CB C 13 38.667 0.00 . 1 . . . . . 165 PHE CB . 52542 1 671 . 1 . 1 165 165 PHE N N 15 122.555 0.02 . 1 . . . . . 165 PHE N . 52542 1 672 . 1 . 1 166 166 TYR H H 1 8.591 0.00 . 1 . . . . . 166 TYR H . 52542 1 673 . 1 . 1 166 166 TYR C C 13 176.173 0.00 . 1 . . . . . 166 TYR C . 52542 1 674 . 1 . 1 166 166 TYR CA C 13 60.918 0.01 . 1 . . . . . 166 TYR CA . 52542 1 675 . 1 . 1 166 166 TYR N N 15 119.780 0.03 . 1 . . . . . 166 TYR N . 52542 1 676 . 1 . 1 167 167 GLN H H 1 8.406 0.01 . 1 . . . . . 167 GLN H . 52542 1 677 . 1 . 1 167 167 GLN C C 13 179.254 0.01 . 1 . . . . . 167 GLN C . 52542 1 678 . 1 . 1 167 167 GLN CA C 13 58.056 0.00 . 1 . . . . . 167 GLN CA . 52542 1 679 . 1 . 1 167 167 GLN CB C 13 27.187 0.00 . 1 . . . . . 167 GLN CB . 52542 1 680 . 1 . 1 167 167 GLN N N 15 116.979 0.03 . 1 . . . . . 167 GLN N . 52542 1 681 . 1 . 1 168 168 GLY H H 1 7.336 0.00 . 1 . . . . . 168 GLY H . 52542 1 682 . 1 . 1 168 168 GLY C C 13 176.370 0.01 . 1 . . . . . 168 GLY C . 52542 1 683 . 1 . 1 168 168 GLY CA C 13 45.981 0.09 . 1 . . . . . 168 GLY CA . 52542 1 684 . 1 . 1 168 168 GLY N N 15 106.705 0.04 . 1 . . . . . 168 GLY N . 52542 1 685 . 1 . 1 169 169 LEU H H 1 7.368 0.01 . 1 . . . . . 169 LEU H . 52542 1 686 . 1 . 1 169 169 LEU C C 13 178.118 0.00 . 1 . . . . . 169 LEU C . 52542 1 687 . 1 . 1 169 169 LEU CA C 13 56.430 0.02 . 1 . . . . . 169 LEU CA . 52542 1 688 . 1 . 1 169 169 LEU CB C 13 39.147 0.00 . 1 . . . . . 169 LEU CB . 52542 1 689 . 1 . 1 169 169 LEU N N 15 122.617 0.02 . 1 . . . . . 169 LEU N . 52542 1 690 . 1 . 1 170 170 VAL H H 1 7.787 0.01 . 1 . . . . . 170 VAL H . 52542 1 691 . 1 . 1 170 170 VAL C C 13 177.719 0.00 . 1 . . . . . 170 VAL C . 52542 1 692 . 1 . 1 170 170 VAL CA C 13 65.763 0.05 . 1 . . . . . 170 VAL CA . 52542 1 693 . 1 . 1 170 170 VAL CB C 13 30.321 0.00 . 1 . . . . . 170 VAL CB . 52542 1 694 . 1 . 1 170 170 VAL N N 15 118.794 0.03 . 1 . . . . . 170 VAL N . 52542 1 695 . 1 . 1 171 171 TYR H H 1 7.588 0.01 . 1 . . . . . 171 TYR H . 52542 1 696 . 1 . 1 171 171 TYR C C 13 178.438 0.04 . 1 . . . . . 171 TYR C . 52542 1 697 . 1 . 1 171 171 TYR CA C 13 61.082 0.08 . 1 . . . . . 171 TYR CA . 52542 1 698 . 1 . 1 171 171 TYR CB C 13 37.081 0.26 . 1 . . . . . 171 TYR CB . 52542 1 699 . 1 . 1 171 171 TYR N N 15 118.011 0.05 . 1 . . . . . 171 TYR N . 52542 1 700 . 1 . 1 172 172 LEU H H 1 7.388 0.01 . 1 . . . . . 172 LEU H . 52542 1 701 . 1 . 1 172 172 LEU C C 13 177.050 0.05 . 1 . . . . . 172 LEU C . 52542 1 702 . 1 . 1 172 172 LEU CA C 13 56.419 0.01 . 1 . . . . . 172 LEU CA . 52542 1 703 . 1 . 1 172 172 LEU CB C 13 40.540 0.05 . 1 . . . . . 172 LEU CB . 52542 1 704 . 1 . 1 172 172 LEU N N 15 118.205 0.03 . 1 . . . . . 172 LEU N . 52542 1 705 . 1 . 1 173 173 LEU H H 1 7.780 0.00 . 1 . . . . . 173 LEU H . 52542 1 706 . 1 . 1 173 173 LEU C C 13 179.336 0.00 . 1 . . . . . 173 LEU C . 52542 1 707 . 1 . 1 173 173 LEU CA C 13 56.430 0.01 . 1 . . . . . 173 LEU CA . 52542 1 708 . 1 . 1 173 173 LEU CB C 13 40.259 0.00 . 1 . . . . . 173 LEU CB . 52542 1 709 . 1 . 1 173 173 LEU N N 15 115.162 0.05 . 1 . . . . . 173 LEU N . 52542 1 710 . 1 . 1 174 174 GLU H H 1 7.689 0.01 . 1 . . . . . 174 GLU H . 52542 1 711 . 1 . 1 174 174 GLU C C 13 175.490 0.01 . 1 . . . . . 174 GLU C . 52542 1 712 . 1 . 1 174 174 GLU CA C 13 55.977 0.00 . 1 . . . . . 174 GLU CA . 52542 1 713 . 1 . 1 174 174 GLU CB C 13 29.625 0.01 . 1 . . . . . 174 GLU CB . 52542 1 714 . 1 . 1 174 174 GLU N N 15 115.458 0.03 . 1 . . . . . 174 GLU N . 52542 1 715 . 1 . 1 175 175 ASN H H 1 7.092 0.00 . 1 . . . . . 175 ASN H . 52542 1 716 . 1 . 1 175 175 ASN C C 13 171.825 0.01 . 1 . . . . . 175 ASN C . 52542 1 717 . 1 . 1 175 175 ASN CA C 13 51.301 0.00 . 1 . . . . . 175 ASN CA . 52542 1 718 . 1 . 1 175 175 ASN CB C 13 41.019 0.03 . 1 . . . . . 175 ASN CB . 52542 1 719 . 1 . 1 175 175 ASN N N 15 117.341 0.02 . 1 . . . . . 175 ASN N . 52542 1 720 . 1 . 1 176 176 ASP H H 1 8.118 0.01 . 1 . . . . . 176 ASP H . 52542 1 721 . 1 . 1 176 176 ASP C C 13 179.623 0.01 . 1 . . . . . 176 ASP C . 52542 1 722 . 1 . 1 176 176 ASP CA C 13 52.862 0.03 . 1 . . . . . 176 ASP CA . 52542 1 723 . 1 . 1 176 176 ASP CB C 13 40.978 0.06 . 1 . . . . . 176 ASP CB . 52542 1 724 . 1 . 1 176 176 ASP N N 15 117.827 0.02 . 1 . . . . . 176 ASP N . 52542 1 725 . 1 . 1 177 177 VAL H H 1 9.349 0.01 . 1 . . . . . 177 VAL H . 52542 1 726 . 1 . 1 177 177 VAL C C 13 177.870 0.01 . 1 . . . . . 177 VAL C . 52542 1 727 . 1 . 1 177 177 VAL CA C 13 64.161 0.00 . 1 . . . . . 177 VAL CA . 52542 1 728 . 1 . 1 177 177 VAL CB C 13 30.359 0.02 . 1 . . . . . 177 VAL CB . 52542 1 729 . 1 . 1 177 177 VAL N N 15 127.213 0.04 . 1 . . . . . 177 VAL N . 52542 1 730 . 1 . 1 178 178 SER H H 1 9.113 0.00 . 1 . . . . . 178 SER H . 52542 1 731 . 1 . 1 178 178 SER C C 13 175.976 0.00 . 1 . . . . . 178 SER C . 52542 1 732 . 1 . 1 178 178 SER CA C 13 60.353 0.04 . 1 . . . . . 178 SER CA . 52542 1 733 . 1 . 1 178 178 SER CB C 13 62.380 0.00 . 1 . . . . . 178 SER CB . 52542 1 734 . 1 . 1 178 178 SER N N 15 118.307 0.03 . 1 . . . . . 178 SER N . 52542 1 735 . 1 . 1 179 179 THR H H 1 7.884 0.00 . 1 . . . . . 179 THR H . 52542 1 736 . 1 . 1 179 179 THR C C 13 175.601 0.01 . 1 . . . . . 179 THR C . 52542 1 737 . 1 . 1 179 179 THR CA C 13 61.179 0.03 . 1 . . . . . 179 THR CA . 52542 1 738 . 1 . 1 179 179 THR CB C 13 69.117 0.05 . 1 . . . . . 179 THR CB . 52542 1 739 . 1 . 1 179 179 THR N N 15 111.162 0.04 . 1 . . . . . 179 THR N . 52542 1 740 . 1 . 1 180 180 LEU H H 1 7.177 0.00 . 1 . . . . . 180 LEU H . 52542 1 741 . 1 . 1 180 180 LEU C C 13 177.976 0.01 . 1 . . . . . 180 LEU C . 52542 1 742 . 1 . 1 180 180 LEU CA C 13 56.349 0.02 . 1 . . . . . 180 LEU CA . 52542 1 743 . 1 . 1 180 180 LEU CB C 13 40.607 0.02 . 1 . . . . . 180 LEU CB . 52542 1 744 . 1 . 1 180 180 LEU N N 15 121.087 0.03 . 1 . . . . . 180 LEU N . 52542 1 745 . 1 . 1 181 181 GLY H H 1 8.150 0.00 . 1 . . . . . 181 GLY H . 52542 1 746 . 1 . 1 181 181 GLY C C 13 172.786 0.00 . 1 . . . . . 181 GLY C . 52542 1 747 . 1 . 1 181 181 GLY CA C 13 44.083 0.07 . 1 . . . . . 181 GLY CA . 52542 1 748 . 1 . 1 181 181 GLY N N 15 103.791 0.03 . 1 . . . . . 181 GLY N . 52542 1 749 . 1 . 1 182 182 TYR H H 1 6.880 0.00 . 1 . . . . . 182 TYR H . 52542 1 750 . 1 . 1 182 182 TYR C C 13 172.725 0.00 . 1 . . . . . 182 TYR C . 52542 1 751 . 1 . 1 182 182 TYR CA C 13 54.362 0.01 . 1 . . . . . 182 TYR CA . 52542 1 752 . 1 . 1 182 182 TYR CB C 13 37.898 0.07 . 1 . . . . . 182 TYR CB . 52542 1 753 . 1 . 1 182 182 TYR N N 15 115.184 0.01 . 1 . . . . . 182 TYR N . 52542 1 754 . 1 . 1 183 183 ASP H H 1 8.466 0.00 . 1 . . . . . 183 ASP H . 52542 1 755 . 1 . 1 183 183 ASP C C 13 175.227 0.00 . 1 . . . . . 183 ASP C . 52542 1 756 . 1 . 1 183 183 ASP CA C 13 52.878 0.01 . 1 . . . . . 183 ASP CA . 52542 1 757 . 1 . 1 183 183 ASP CB C 13 41.383 0.06 . 1 . . . . . 183 ASP CB . 52542 1 758 . 1 . 1 183 183 ASP N N 15 118.807 0.01 . 1 . . . . . 183 ASP N . 52542 1 759 . 1 . 1 184 184 LEU H H 1 8.959 0.00 . 1 . . . . . 184 LEU H . 52542 1 760 . 1 . 1 184 184 LEU C C 13 175.452 0.01 . 1 . . . . . 184 LEU C . 52542 1 761 . 1 . 1 184 184 LEU CA C 13 53.113 0.03 . 1 . . . . . 184 LEU CA . 52542 1 762 . 1 . 1 184 184 LEU CB C 13 43.307 0.13 . 1 . . . . . 184 LEU CB . 52542 1 763 . 1 . 1 184 184 LEU N N 15 124.455 0.02 . 1 . . . . . 184 LEU N . 52542 1 764 . 1 . 1 185 185 THR H H 1 7.947 0.00 . 1 . . . . . 185 THR H . 52542 1 765 . 1 . 1 185 185 THR C C 13 175.456 0.00 . 1 . . . . . 185 THR C . 52542 1 766 . 1 . 1 185 185 THR CA C 13 58.576 0.03 . 1 . . . . . 185 THR CA . 52542 1 767 . 1 . 1 185 185 THR CB C 13 71.877 0.08 . 1 . . . . . 185 THR CB . 52542 1 768 . 1 . 1 185 185 THR N N 15 109.734 0.04 . 1 . . . . . 185 THR N . 52542 1 769 . 1 . 1 186 186 PHE H H 1 8.124 0.00 . 1 . . . . . 186 PHE H . 52542 1 770 . 1 . 1 186 186 PHE C C 13 175.531 0.00 . 1 . . . . . 186 PHE C . 52542 1 771 . 1 . 1 186 186 PHE CA C 13 57.143 0.01 . 1 . . . . . 186 PHE CA . 52542 1 772 . 1 . 1 186 186 PHE CB C 13 35.933 0.04 . 1 . . . . . 186 PHE CB . 52542 1 773 . 1 . 1 186 186 PHE N N 15 121.825 0.04 . 1 . . . . . 186 PHE N . 52542 1 774 . 1 . 1 187 187 SER H H 1 9.057 0.00 . 1 . . . . . 187 SER H . 52542 1 775 . 1 . 1 187 187 SER C C 13 171.983 0.01 . 1 . . . . . 187 SER C . 52542 1 776 . 1 . 1 187 187 SER CA C 13 57.146 0.03 . 1 . . . . . 187 SER CA . 52542 1 777 . 1 . 1 187 187 SER CB C 13 64.971 0.07 . 1 . . . . . 187 SER CB . 52542 1 778 . 1 . 1 187 187 SER N N 15 117.182 0.03 . 1 . . . . . 187 SER N . 52542 1 779 . 1 . 1 188 188 THR H H 1 8.743 0.00 . 1 . . . . . 188 THR H . 52542 1 780 . 1 . 1 188 188 THR C C 13 171.035 0.01 . 1 . . . . . 188 THR C . 52542 1 781 . 1 . 1 188 188 THR CA C 13 60.648 0.01 . 1 . . . . . 188 THR CA . 52542 1 782 . 1 . 1 188 188 THR CB C 13 69.319 0.05 . 1 . . . . . 188 THR CB . 52542 1 783 . 1 . 1 188 188 THR N N 15 114.432 0.04 . 1 . . . . . 188 THR N . 52542 1 784 . 1 . 1 189 189 GLU H H 1 8.169 0.00 . 1 . . . . . 189 GLU H . 52542 1 785 . 1 . 1 189 189 GLU C C 13 175.834 0.02 . 1 . . . . . 189 GLU C . 52542 1 786 . 1 . 1 189 189 GLU CA C 13 55.799 0.01 . 1 . . . . . 189 GLU CA . 52542 1 787 . 1 . 1 189 189 GLU CB C 13 29.835 0.02 . 1 . . . . . 189 GLU CB . 52542 1 788 . 1 . 1 189 189 GLU N N 15 125.709 0.03 . 1 . . . . . 189 GLU N . 52542 1 789 . 1 . 1 190 190 VAL H H 1 8.914 0.00 . 1 . . . . . 190 VAL H . 52542 1 790 . 1 . 1 190 190 VAL C C 13 173.938 0.01 . 1 . . . . . 190 VAL C . 52542 1 791 . 1 . 1 190 190 VAL CA C 13 60.200 0.01 . 1 . . . . . 190 VAL CA . 52542 1 792 . 1 . 1 190 190 VAL CB C 13 34.463 0.05 . 1 . . . . . 190 VAL CB . 52542 1 793 . 1 . 1 190 190 VAL N N 15 124.088 0.02 . 1 . . . . . 190 VAL N . 52542 1 794 . 1 . 1 191 191 GLN H H 1 8.471 0.00 . 1 . . . . . 191 GLN H . 52542 1 795 . 1 . 1 191 191 GLN C C 13 173.997 0.01 . 1 . . . . . 191 GLN C . 52542 1 796 . 1 . 1 191 191 GLN CA C 13 53.511 0.01 . 1 . . . . . 191 GLN CA . 52542 1 797 . 1 . 1 191 191 GLN CB C 13 28.234 0.05 . 1 . . . . . 191 GLN CB . 52542 1 798 . 1 . 1 191 191 GLN N N 15 126.033 0.01 . 1 . . . . . 191 GLN N . 52542 1 799 . 1 . 1 192 192 GLU H H 1 8.235 0.00 . 1 . . . . . 192 GLU H . 52542 1 800 . 1 . 1 192 192 GLU C C 13 175.807 0.00 . 1 . . . . . 192 GLU C . 52542 1 801 . 1 . 1 192 192 GLU CA C 13 54.369 0.00 . 1 . . . . . 192 GLU CA . 52542 1 802 . 1 . 1 192 192 GLU CB C 13 30.780 0.00 . 1 . . . . . 192 GLU CB . 52542 1 803 . 1 . 1 192 192 GLU N N 15 125.725 0.02 . 1 . . . . . 192 GLU N . 52542 1 804 . 1 . 1 193 193 PHE H H 1 9.806 0.00 . 1 . . . . . 193 PHE H . 52542 1 805 . 1 . 1 193 193 PHE C C 13 175.535 0.05 . 1 . . . . . 193 PHE C . 52542 1 806 . 1 . 1 193 193 PHE CA C 13 55.779 0.00 . 1 . . . . . 193 PHE CA . 52542 1 807 . 1 . 1 193 193 PHE CB C 13 34.906 0.00 . 1 . . . . . 193 PHE CB . 52542 1 808 . 1 . 1 193 193 PHE N N 15 127.226 0.00 . 1 . . . . . 193 PHE N . 52542 1 809 . 1 . 1 194 194 GLY H H 1 8.490 0.00 . 1 . . . . . 194 GLY H . 52542 1 810 . 1 . 1 194 194 GLY C C 13 173.661 0.01 . 1 . . . . . 194 GLY C . 52542 1 811 . 1 . 1 194 194 GLY CA C 13 44.637 0.04 . 1 . . . . . 194 GLY CA . 52542 1 812 . 1 . 1 194 194 GLY N N 15 103.590 0.05 . 1 . . . . . 194 GLY N . 52542 1 813 . 1 . 1 195 195 VAL H H 1 7.603 0.00 . 1 . . . . . 195 VAL H . 52542 1 814 . 1 . 1 195 195 VAL C C 13 175.056 0.01 . 1 . . . . . 195 VAL C . 52542 1 815 . 1 . 1 195 195 VAL CA C 13 60.846 0.01 . 1 . . . . . 195 VAL CA . 52542 1 816 . 1 . 1 195 195 VAL CB C 13 32.494 0.02 . 1 . . . . . 195 VAL CB . 52542 1 817 . 1 . 1 195 195 VAL N N 15 121.569 0.02 . 1 . . . . . 195 VAL N . 52542 1 818 . 1 . 1 196 196 CYS H H 1 8.756 0.00 . 1 . . . . . 196 CYS H . 52542 1 819 . 1 . 1 196 196 CYS C C 13 173.981 0.01 . 1 . . . . . 196 CYS C . 52542 1 820 . 1 . 1 196 196 CYS CA C 13 57.976 0.03 . 1 . . . . . 196 CYS CA . 52542 1 821 . 1 . 1 196 196 CYS CB C 13 26.899 0.03 . 1 . . . . . 196 CYS CB . 52542 1 822 . 1 . 1 196 196 CYS N N 15 126.847 0.02 . 1 . . . . . 196 CYS N . 52542 1 823 . 1 . 1 197 197 GLU H H 1 8.757 0.00 . 1 . . . . . 197 GLU H . 52542 1 824 . 1 . 1 197 197 GLU C C 13 174.229 0.02 . 1 . . . . . 197 GLU C . 52542 1 825 . 1 . 1 197 197 GLU CA C 13 53.983 0.02 . 1 . . . . . 197 GLU CA . 52542 1 826 . 1 . 1 197 197 GLU CB C 13 32.358 0.07 . 1 . . . . . 197 GLU CB . 52542 1 827 . 1 . 1 197 197 GLU N N 15 125.620 0.01 . 1 . . . . . 197 GLU N . 52542 1 828 . 1 . 1 198 198 VAL H H 1 8.553 0.00 . 1 . . . . . 198 VAL H . 52542 1 829 . 1 . 1 198 198 VAL C C 13 175.727 0.01 . 1 . . . . . 198 VAL C . 52542 1 830 . 1 . 1 198 198 VAL CA C 13 62.012 0.03 . 1 . . . . . 198 VAL CA . 52542 1 831 . 1 . 1 198 198 VAL CB C 13 30.014 0.11 . 1 . . . . . 198 VAL CB . 52542 1 832 . 1 . 1 198 198 VAL N N 15 123.137 0.04 . 1 . . . . . 198 VAL N . 52542 1 833 . 1 . 1 199 199 ARG H H 1 8.956 0.00 . 1 . . . . . 199 ARG H . 52542 1 834 . 1 . 1 199 199 ARG C C 13 175.424 0.02 . 1 . . . . . 199 ARG C . 52542 1 835 . 1 . 1 199 199 ARG CA C 13 53.750 0.02 . 1 . . . . . 199 ARG CA . 52542 1 836 . 1 . 1 199 199 ARG CB C 13 31.521 0.07 . 1 . . . . . 199 ARG CB . 52542 1 837 . 1 . 1 199 199 ARG N N 15 128.222 0.02 . 1 . . . . . 199 ARG N . 52542 1 838 . 1 . 1 200 200 ASP H H 1 8.570 0.00 . 1 . . . . . 200 ASP H . 52542 1 839 . 1 . 1 200 200 ASP C C 13 177.404 0.01 . 1 . . . . . 200 ASP C . 52542 1 840 . 1 . 1 200 200 ASP CA C 13 54.247 0.00 . 1 . . . . . 200 ASP CA . 52542 1 841 . 1 . 1 200 200 ASP CB C 13 40.567 0.17 . 1 . . . . . 200 ASP CB . 52542 1 842 . 1 . 1 200 200 ASP N N 15 123.553 0.05 . 1 . . . . . 200 ASP N . 52542 1 843 . 1 . 1 201 201 LEU H H 1 8.871 0.01 . 1 . . . . . 201 LEU H . 52542 1 844 . 1 . 1 201 201 LEU C C 13 175.974 0.00 . 1 . . . . . 201 LEU C . 52542 1 845 . 1 . 1 201 201 LEU CA C 13 54.291 0.01 . 1 . . . . . 201 LEU CA . 52542 1 846 . 1 . 1 201 201 LEU CB C 13 41.715 0.00 . 1 . . . . . 201 LEU CB . 52542 1 847 . 1 . 1 201 201 LEU N N 15 118.583 0.02 . 1 . . . . . 201 LEU N . 52542 1 848 . 1 . 1 202 202 LYS H H 1 7.836 0.00 . 1 . . . . . 202 LYS H . 52542 1 849 . 1 . 1 202 202 LYS C C 13 171.568 0.00 . 1 . . . . . 202 LYS C . 52542 1 850 . 1 . 1 202 202 LYS CA C 13 52.937 0.00 . 1 . . . . . 202 LYS CA . 52542 1 851 . 1 . 1 202 202 LYS CB C 13 30.813 0.00 . 1 . . . . . 202 LYS CB . 52542 1 852 . 1 . 1 202 202 LYS N N 15 112.978 0.05 . 1 . . . . . 202 LYS N . 52542 1 853 . 1 . 1 203 203 PRO C C 13 176.961 0.00 . 1 . . . . . 203 PRO C . 52542 1 854 . 1 . 1 203 203 PRO CA C 13 63.859 0.01 . 1 . . . . . 203 PRO CA . 52542 1 855 . 1 . 1 203 203 PRO CB C 13 29.925 0.08 . 1 . . . . . 203 PRO CB . 52542 1 856 . 1 . 1 204 204 ASN H H 1 9.085 0.00 . 1 . . . . . 204 ASN H . 52542 1 857 . 1 . 1 204 204 ASN C C 13 177.826 0.01 . 1 . . . . . 204 ASN C . 52542 1 858 . 1 . 1 204 204 ASN CA C 13 53.584 0.04 . 1 . . . . . 204 ASN CA . 52542 1 859 . 1 . 1 204 204 ASN CB C 13 37.821 0.01 . 1 . . . . . 204 ASN CB . 52542 1 860 . 1 . 1 204 204 ASN N N 15 119.597 0.03 . 1 . . . . . 204 ASN N . 52542 1 861 . 1 . 1 205 205 GLY H H 1 8.249 0.00 . 1 . . . . . 205 GLY H . 52542 1 862 . 1 . 1 205 205 GLY C C 13 175.265 0.02 . 1 . . . . . 205 GLY C . 52542 1 863 . 1 . 1 205 205 GLY CA C 13 48.352 0.05 . 1 . . . . . 205 GLY CA . 52542 1 864 . 1 . 1 205 205 GLY N N 15 104.738 0.06 . 1 . . . . . 205 GLY N . 52542 1 865 . 1 . 1 206 206 ALA H H 1 8.137 0.01 . 1 . . . . . 206 ALA H . 52542 1 866 . 1 . 1 206 206 ALA C C 13 177.086 0.01 . 1 . . . . . 206 ALA C . 52542 1 867 . 1 . 1 206 206 ALA CA C 13 53.346 0.03 . 1 . . . . . 206 ALA CA . 52542 1 868 . 1 . 1 206 206 ALA CB C 13 17.101 0.04 . 1 . . . . . 206 ALA CB . 52542 1 869 . 1 . 1 206 206 ALA N N 15 120.807 0.05 . 1 . . . . . 206 ALA N . 52542 1 870 . 1 . 1 207 207 ASN H H 1 7.950 0.00 . 1 . . . . . 207 ASN H . 52542 1 871 . 1 . 1 207 207 ASN C C 13 174.388 0.02 . 1 . . . . . 207 ASN C . 52542 1 872 . 1 . 1 207 207 ASN CA C 13 51.718 0.01 . 1 . . . . . 207 ASN CA . 52542 1 873 . 1 . 1 207 207 ASN CB C 13 38.943 0.03 . 1 . . . . . 207 ASN CB . 52542 1 874 . 1 . 1 207 207 ASN N N 15 111.314 0.04 . 1 . . . . . 207 ASN N . 52542 1 875 . 1 . 1 208 208 ILE H H 1 7.852 0.00 . 1 . . . . . 208 ILE H . 52542 1 876 . 1 . 1 208 208 ILE C C 13 174.469 0.03 . 1 . . . . . 208 ILE C . 52542 1 877 . 1 . 1 208 208 ILE CA C 13 60.378 0.04 . 1 . . . . . 208 ILE CA . 52542 1 878 . 1 . 1 208 208 ILE CB C 13 38.494 0.14 . 1 . . . . . 208 ILE CB . 52542 1 879 . 1 . 1 208 208 ILE N N 15 123.491 0.03 . 1 . . . . . 208 ILE N . 52542 1 880 . 1 . 1 209 209 LEU H H 1 7.954 0.00 . 1 . . . . . 209 LEU H . 52542 1 881 . 1 . 1 209 209 LEU C C 13 178.088 0.01 . 1 . . . . . 209 LEU C . 52542 1 882 . 1 . 1 209 209 LEU CA C 13 53.966 0.04 . 1 . . . . . 209 LEU CA . 52542 1 883 . 1 . 1 209 209 LEU CB C 13 41.659 0.01 . 1 . . . . . 209 LEU CB . 52542 1 884 . 1 . 1 209 209 LEU N N 15 126.292 0.03 . 1 . . . . . 209 LEU N . 52542 1 885 . 1 . 1 210 210 VAL H H 1 8.299 0.00 . 1 . . . . . 210 VAL H . 52542 1 886 . 1 . 1 210 210 VAL C C 13 175.708 0.01 . 1 . . . . . 210 VAL C . 52542 1 887 . 1 . 1 210 210 VAL CA C 13 61.773 0.06 . 1 . . . . . 210 VAL CA . 52542 1 888 . 1 . 1 210 210 VAL CB C 13 29.707 0.02 . 1 . . . . . 210 VAL CB . 52542 1 889 . 1 . 1 210 210 VAL N N 15 124.172 0.01 . 1 . . . . . 210 VAL N . 52542 1 890 . 1 . 1 211 211 THR H H 1 9.668 0.01 . 1 . . . . . 211 THR H . 52542 1 891 . 1 . 1 211 211 THR C C 13 174.820 0.01 . 1 . . . . . 211 THR C . 52542 1 892 . 1 . 1 211 211 THR CA C 13 58.588 0.01 . 1 . . . . . 211 THR CA . 52542 1 893 . 1 . 1 211 211 THR CB C 13 72.277 0.01 . 1 . . . . . 211 THR CB . 52542 1 894 . 1 . 1 211 211 THR N N 15 120.583 0.03 . 1 . . . . . 211 THR N . 52542 1 895 . 1 . 1 212 212 GLU H H 1 9.009 0.01 . 1 . . . . . 212 GLU H . 52542 1 896 . 1 . 1 212 212 GLU C C 13 178.485 0.02 . 1 . . . . . 212 GLU C . 52542 1 897 . 1 . 1 212 212 GLU CA C 13 58.303 0.07 . 1 . . . . . 212 GLU CA . 52542 1 898 . 1 . 1 212 212 GLU CB C 13 29.470 0.18 . 1 . . . . . 212 GLU CB . 52542 1 899 . 1 . 1 212 212 GLU N N 15 118.509 0.05 . 1 . . . . . 212 GLU N . 52542 1 900 . 1 . 1 213 213 GLU H H 1 7.941 0.00 . 1 . . . . . 213 GLU H . 52542 1 901 . 1 . 1 213 213 GLU C C 13 177.732 0.02 . 1 . . . . . 213 GLU C . 52542 1 902 . 1 . 1 213 213 GLU CA C 13 57.846 0.03 . 1 . . . . . 213 GLU CA . 52542 1 903 . 1 . 1 213 213 GLU CB C 13 28.791 0.05 . 1 . . . . . 213 GLU CB . 52542 1 904 . 1 . 1 213 213 GLU N N 15 114.977 0.04 . 1 . . . . . 213 GLU N . 52542 1 905 . 1 . 1 214 214 ASN H H 1 7.362 0.00 . 1 . . . . . 214 ASN H . 52542 1 906 . 1 . 1 214 214 ASN C C 13 179.316 0.00 . 1 . . . . . 214 ASN C . 52542 1 907 . 1 . 1 214 214 ASN CA C 13 51.661 0.01 . 1 . . . . . 214 ASN CA . 52542 1 908 . 1 . 1 214 214 ASN CB C 13 38.806 0.05 . 1 . . . . . 214 ASN CB . 52542 1 909 . 1 . 1 214 214 ASN N N 15 114.442 0.06 . 1 . . . . . 214 ASN N . 52542 1 910 . 1 . 1 215 215 LYS H H 1 7.726 0.01 . 1 . . . . . 215 LYS H . 52542 1 911 . 1 . 1 215 215 LYS C C 13 177.475 0.02 . 1 . . . . . 215 LYS C . 52542 1 912 . 1 . 1 215 215 LYS CA C 13 59.255 0.01 . 1 . . . . . 215 LYS CA . 52542 1 913 . 1 . 1 215 215 LYS CB C 13 30.600 0.05 . 1 . . . . . 215 LYS CB . 52542 1 914 . 1 . 1 215 215 LYS N N 15 117.684 0.03 . 1 . . . . . 215 LYS N . 52542 1 915 . 1 . 1 216 216 LYS H H 1 8.469 0.00 . 1 . . . . . 216 LYS H . 52542 1 916 . 1 . 1 216 216 LYS C C 13 179.007 0.00 . 1 . . . . . 216 LYS C . 52542 1 917 . 1 . 1 216 216 LYS CA C 13 59.909 0.01 . 1 . . . . . 216 LYS CA . 52542 1 918 . 1 . 1 216 216 LYS CB C 13 30.005 0.09 . 1 . . . . . 216 LYS CB . 52542 1 919 . 1 . 1 216 216 LYS N N 15 120.744 0.03 . 1 . . . . . 216 LYS N . 52542 1 920 . 1 . 1 217 217 GLU H H 1 7.634 0.01 . 1 . . . . . 217 GLU H . 52542 1 921 . 1 . 1 217 217 GLU C C 13 178.219 0.01 . 1 . . . . . 217 GLU C . 52542 1 922 . 1 . 1 217 217 GLU CA C 13 58.156 0.00 . 1 . . . . . 217 GLU CA . 52542 1 923 . 1 . 1 217 217 GLU CB C 13 28.028 0.04 . 1 . . . . . 217 GLU CB . 52542 1 924 . 1 . 1 217 217 GLU N N 15 122.772 0.02 . 1 . . . . . 217 GLU N . 52542 1 925 . 1 . 1 218 218 TYR H H 1 7.988 0.00 . 1 . . . . . 218 TYR H . 52542 1 926 . 1 . 1 218 218 TYR C C 13 175.760 0.00 . 1 . . . . . 218 TYR C . 52542 1 927 . 1 . 1 218 218 TYR CA C 13 61.425 0.01 . 1 . . . . . 218 TYR CA . 52542 1 928 . 1 . 1 218 218 TYR CB C 13 36.166 0.00 . 1 . . . . . 218 TYR CB . 52542 1 929 . 1 . 1 218 218 TYR N N 15 119.229 0.03 . 1 . . . . . 218 TYR N . 52542 1 930 . 1 . 1 219 219 VAL H H 1 8.295 0.01 . 1 . . . . . 219 VAL H . 52542 1 931 . 1 . 1 219 219 VAL C C 13 177.269 0.00 . 1 . . . . . 219 VAL C . 52542 1 932 . 1 . 1 219 219 VAL CA C 13 66.150 0.12 . 1 . . . . . 219 VAL CA . 52542 1 933 . 1 . 1 219 219 VAL N N 15 118.259 0.04 . 1 . . . . . 219 VAL N . 52542 1 934 . 1 . 1 220 220 HIS H H 1 7.678 0.00 . 1 . . . . . 220 HIS H . 52542 1 935 . 1 . 1 220 220 HIS C C 13 178.506 0.00 . 1 . . . . . 220 HIS C . 52542 1 936 . 1 . 1 220 220 HIS CA C 13 59.279 0.00 . 1 . . . . . 220 HIS CA . 52542 1 937 . 1 . 1 220 220 HIS N N 15 117.883 0.04 . 1 . . . . . 220 HIS N . 52542 1 938 . 1 . 1 221 221 LEU H H 1 8.552 0.00 . 1 . . . . . 221 LEU H . 52542 1 939 . 1 . 1 221 221 LEU C C 13 180.652 0.00 . 1 . . . . . 221 LEU C . 52542 1 940 . 1 . 1 221 221 LEU CA C 13 56.778 0.05 . 1 . . . . . 221 LEU CA . 52542 1 941 . 1 . 1 221 221 LEU CB C 13 42.382 0.00 . 1 . . . . . 221 LEU CB . 52542 1 942 . 1 . 1 221 221 LEU N N 15 117.509 0.05 . 1 . . . . . 221 LEU N . 52542 1 943 . 1 . 1 222 222 VAL H H 1 9.333 0.01 . 1 . . . . . 222 VAL H . 52542 1 944 . 1 . 1 222 222 VAL C C 13 177.322 0.00 . 1 . . . . . 222 VAL C . 52542 1 945 . 1 . 1 222 222 VAL CA C 13 64.672 0.02 . 1 . . . . . 222 VAL CA . 52542 1 946 . 1 . 1 222 222 VAL CB C 13 29.027 0.00 . 1 . . . . . 222 VAL CB . 52542 1 947 . 1 . 1 222 222 VAL N N 15 122.442 0.02 . 1 . . . . . 222 VAL N . 52542 1 948 . 1 . 1 223 223 CYS H H 1 7.687 0.00 . 1 . . . . . 223 CYS H . 52542 1 949 . 1 . 1 223 223 CYS CA C 13 63.160 0.00 . 1 . . . . . 223 CYS CA . 52542 1 950 . 1 . 1 223 223 CYS N N 15 120.469 0.02 . 1 . . . . . 223 CYS N . 52542 1 951 . 1 . 1 228 228 THR H H 1 7.667 0.00 . 1 . . . . . 228 THR H . 52542 1 952 . 1 . 1 228 228 THR C C 13 175.738 0.00 . 1 . . . . . 228 THR C . 52542 1 953 . 1 . 1 228 228 THR N N 15 107.152 0.00 . 1 . . . . . 228 THR N . 52542 1 954 . 1 . 1 229 229 GLY H H 1 8.574 0.01 . 1 . . . . . 229 GLY H . 52542 1 955 . 1 . 1 229 229 GLY CA C 13 47.769 0.00 . 1 . . . . . 229 GLY CA . 52542 1 956 . 1 . 1 229 229 GLY N N 15 110.861 0.03 . 1 . . . . . 229 GLY N . 52542 1 957 . 1 . 1 230 230 ALA C C 13 178.040 0.00 . 1 . . . . . 230 ALA C . 52542 1 958 . 1 . 1 231 231 ILE H H 1 6.931 0.00 . 1 . . . . . 231 ILE H . 52542 1 959 . 1 . 1 231 231 ILE C C 13 175.196 0.00 . 1 . . . . . 231 ILE C . 52542 1 960 . 1 . 1 231 231 ILE CA C 13 59.000 0.06 . 1 . . . . . 231 ILE CA . 52542 1 961 . 1 . 1 231 231 ILE CB C 13 37.605 0.00 . 1 . . . . . 231 ILE CB . 52542 1 962 . 1 . 1 231 231 ILE N N 15 106.667 0.03 . 1 . . . . . 231 ILE N . 52542 1 963 . 1 . 1 232 232 ARG H H 1 6.967 0.00 . 1 . . . . . 232 ARG H . 52542 1 964 . 1 . 1 232 232 ARG CA C 13 59.076 0.00 . 1 . . . . . 232 ARG CA . 52542 1 965 . 1 . 1 232 232 ARG N N 15 121.832 0.01 . 1 . . . . . 232 ARG N . 52542 1 966 . 1 . 1 233 233 LYS H H 1 8.621 0.00 . 1 . . . . . 233 LYS H . 52542 1 967 . 1 . 1 233 233 LYS C C 13 179.470 0.00 . 1 . . . . . 233 LYS C . 52542 1 968 . 1 . 1 233 233 LYS CA C 13 59.085 0.00 . 1 . . . . . 233 LYS CA . 52542 1 969 . 1 . 1 233 233 LYS N N 15 117.796 0.00 . 1 . . . . . 233 LYS N . 52542 1 970 . 1 . 1 234 234 GLN H H 1 9.729 0.01 . 1 . . . . . 234 GLN H . 52542 1 971 . 1 . 1 234 234 GLN C C 13 177.099 0.00 . 1 . . . . . 234 GLN C . 52542 1 972 . 1 . 1 234 234 GLN CA C 13 59.820 0.00 . 1 . . . . . 234 GLN CA . 52542 1 973 . 1 . 1 234 234 GLN CB C 13 27.449 0.00 . 1 . . . . . 234 GLN CB . 52542 1 974 . 1 . 1 234 234 GLN N N 15 123.475 0.03 . 1 . . . . . 234 GLN N . 52542 1 975 . 1 . 1 243 243 TYR C C 13 178.495 0.00 . 1 . . . . . 243 TYR C . 52542 1 976 . 1 . 1 243 243 TYR CA C 13 55.034 0.00 . 1 . . . . . 243 TYR CA . 52542 1 977 . 1 . 1 243 243 TYR CB C 13 36.038 0.00 . 1 . . . . . 243 TYR CB . 52542 1 978 . 1 . 1 244 244 GLU H H 1 7.202 0.01 . 1 . . . . . 244 GLU H . 52542 1 979 . 1 . 1 244 244 GLU C C 13 176.992 0.01 . 1 . . . . . 244 GLU C . 52542 1 980 . 1 . 1 244 244 GLU CA C 13 57.584 0.01 . 1 . . . . . 244 GLU CA . 52542 1 981 . 1 . 1 244 244 GLU CB C 13 29.712 0.05 . 1 . . . . . 244 GLU CB . 52542 1 982 . 1 . 1 244 244 GLU N N 15 116.236 0.03 . 1 . . . . . 244 GLU N . 52542 1 983 . 1 . 1 245 245 ILE H H 1 7.071 0.00 . 1 . . . . . 245 ILE H . 52542 1 984 . 1 . 1 245 245 ILE C C 13 174.152 0.00 . 1 . . . . . 245 ILE C . 52542 1 985 . 1 . 1 245 245 ILE CA C 13 60.716 0.00 . 1 . . . . . 245 ILE CA . 52542 1 986 . 1 . 1 245 245 ILE N N 15 115.348 0.02 . 1 . . . . . 245 ILE N . 52542 1 987 . 1 . 1 247 247 PRO C C 13 177.627 0.00 . 1 . . . . . 247 PRO C . 52542 1 988 . 1 . 1 247 247 PRO CA C 13 62.204 0.05 . 1 . . . . . 247 PRO CA . 52542 1 989 . 1 . 1 247 247 PRO CB C 13 31.569 0.03 . 1 . . . . . 247 PRO CB . 52542 1 990 . 1 . 1 248 248 LYS H H 1 8.351 0.00 . 1 . . . . . 248 LYS H . 52542 1 991 . 1 . 1 248 248 LYS C C 13 178.982 0.02 . 1 . . . . . 248 LYS C . 52542 1 992 . 1 . 1 248 248 LYS CA C 13 59.106 0.02 . 1 . . . . . 248 LYS CA . 52542 1 993 . 1 . 1 248 248 LYS CB C 13 30.629 0.08 . 1 . . . . . 248 LYS CB . 52542 1 994 . 1 . 1 248 248 LYS N N 15 126.187 0.02 . 1 . . . . . 248 LYS N . 52542 1 995 . 1 . 1 249 249 ARG H H 1 8.714 0.00 . 1 . . . . . 249 ARG H . 52542 1 996 . 1 . 1 249 249 ARG C C 13 176.784 0.02 . 1 . . . . . 249 ARG C . 52542 1 997 . 1 . 1 249 249 ARG CA C 13 57.390 0.01 . 1 . . . . . 249 ARG CA . 52542 1 998 . 1 . 1 249 249 ARG CB C 13 27.784 0.09 . 1 . . . . . 249 ARG CB . 52542 1 999 . 1 . 1 249 249 ARG N N 15 115.005 0.04 . 1 . . . . . 249 ARG N . 52542 1 1000 . 1 . 1 250 250 LEU H H 1 7.425 0.01 . 1 . . . . . 250 LEU H . 52542 1 1001 . 1 . 1 250 250 LEU C C 13 176.859 0.00 . 1 . . . . . 250 LEU C . 52542 1 1002 . 1 . 1 250 250 LEU CA C 13 55.499 0.00 . 1 . . . . . 250 LEU CA . 52542 1 1003 . 1 . 1 250 250 LEU CB C 13 41.169 0.00 . 1 . . . . . 250 LEU CB . 52542 1 1004 . 1 . 1 250 250 LEU N N 15 117.376 0.02 . 1 . . . . . 250 LEU N . 52542 1 1005 . 1 . 1 251 251 ILE C C 13 175.521 0.00 . 1 . . . . . 251 ILE C . 52542 1 1006 . 1 . 1 251 251 ILE CA C 13 58.811 0.00 . 1 . . . . . 251 ILE CA . 52542 1 1007 . 1 . 1 251 251 ILE CB C 13 38.358 0.00 . 1 . . . . . 251 ILE CB . 52542 1 1008 . 1 . 1 252 252 SER H H 1 7.804 0.00 . 1 . . . . . 252 SER H . 52542 1 1009 . 1 . 1 252 252 SER C C 13 174.026 0.00 . 1 . . . . . 252 SER C . 52542 1 1010 . 1 . 1 252 252 SER CA C 13 59.734 0.04 . 1 . . . . . 252 SER CA . 52542 1 1011 . 1 . 1 252 252 SER CB C 13 62.638 0.12 . 1 . . . . . 252 SER CB . 52542 1 1012 . 1 . 1 252 252 SER N N 15 110.633 0.04 . 1 . . . . . 252 SER N . 52542 1 1013 . 1 . 1 253 253 ILE H H 1 6.879 0.00 . 1 . . . . . 253 ILE H . 52542 1 1014 . 1 . 1 253 253 ILE C C 13 176.360 0.00 . 1 . . . . . 253 ILE C . 52542 1 1015 . 1 . 1 253 253 ILE CA C 13 62.108 0.04 . 1 . . . . . 253 ILE CA . 52542 1 1016 . 1 . 1 253 253 ILE CB C 13 36.298 0.00 . 1 . . . . . 253 ILE CB . 52542 1 1017 . 1 . 1 253 253 ILE N N 15 114.868 0.03 . 1 . . . . . 253 ILE N . 52542 1 1018 . 1 . 1 254 254 PHE H H 1 7.363 0.01 . 1 . . . . . 254 PHE H . 52542 1 1019 . 1 . 1 254 254 PHE C C 13 175.218 0.00 . 1 . . . . . 254 PHE C . 52542 1 1020 . 1 . 1 254 254 PHE CA C 13 58.246 0.11 . 1 . . . . . 254 PHE CA . 52542 1 1021 . 1 . 1 254 254 PHE CB C 13 39.449 0.11 . 1 . . . . . 254 PHE CB . 52542 1 1022 . 1 . 1 254 254 PHE N N 15 121.067 0.04 . 1 . . . . . 254 PHE N . 52542 1 1023 . 1 . 1 255 255 THR H H 1 8.938 0.01 . 1 . . . . . 255 THR H . 52542 1 1024 . 1 . 1 255 255 THR C C 13 175.486 0.06 . 1 . . . . . 255 THR C . 52542 1 1025 . 1 . 1 255 255 THR CA C 13 60.081 0.05 . 1 . . . . . 255 THR CA . 52542 1 1026 . 1 . 1 255 255 THR CB C 13 70.126 0.05 . 1 . . . . . 255 THR CB . 52542 1 1027 . 1 . 1 255 255 THR N N 15 109.310 0.06 . 1 . . . . . 255 THR N . 52542 1 1028 . 1 . 1 256 256 GLU H H 1 10.394 0.01 . 1 . . . . . 256 GLU H . 52542 1 1029 . 1 . 1 256 256 GLU C C 13 178.022 0.00 . 1 . . . . . 256 GLU C . 52542 1 1030 . 1 . 1 256 256 GLU CA C 13 60.177 0.05 . 1 . . . . . 256 GLU CA . 52542 1 1031 . 1 . 1 256 256 GLU N N 15 119.617 0.03 . 1 . . . . . 256 GLU N . 52542 1 1032 . 1 . 1 257 257 GLN H H 1 8.064 0.00 . 1 . . . . . 257 GLN H . 52542 1 1033 . 1 . 1 257 257 GLN C C 13 178.702 0.02 . 1 . . . . . 257 GLN C . 52542 1 1034 . 1 . 1 257 257 GLN CA C 13 58.135 0.00 . 1 . . . . . 257 GLN CA . 52542 1 1035 . 1 . 1 257 257 GLN CB C 13 27.106 0.09 . 1 . . . . . 257 GLN CB . 52542 1 1036 . 1 . 1 257 257 GLN N N 15 119.165 0.04 . 1 . . . . . 257 GLN N . 52542 1 1037 . 1 . 1 258 258 GLU H H 1 7.365 0.01 . 1 . . . . . 258 GLU H . 52542 1 1038 . 1 . 1 258 258 GLU C C 13 177.366 0.00 . 1 . . . . . 258 GLU C . 52542 1 1039 . 1 . 1 258 258 GLU CA C 13 57.250 0.00 . 1 . . . . . 258 GLU CA . 52542 1 1040 . 1 . 1 258 258 GLU CB C 13 28.547 0.00 . 1 . . . . . 258 GLU CB . 52542 1 1041 . 1 . 1 258 258 GLU N N 15 119.326 0.05 . 1 . . . . . 258 GLU N . 52542 1 1042 . 1 . 1 259 259 LEU C C 13 177.132 0.00 . 1 . . . . . 259 LEU C . 52542 1 1043 . 1 . 1 259 259 LEU CA C 13 56.471 0.00 . 1 . . . . . 259 LEU CA . 52542 1 1044 . 1 . 1 259 259 LEU CB C 13 39.976 0.00 . 1 . . . . . 259 LEU CB . 52542 1 1045 . 1 . 1 260 260 GLU H H 1 6.822 0.01 . 1 . . . . . 260 GLU H . 52542 1 1046 . 1 . 1 260 260 GLU C C 13 178.308 0.01 . 1 . . . . . 260 GLU C . 52542 1 1047 . 1 . 1 260 260 GLU CA C 13 58.742 0.05 . 1 . . . . . 260 GLU CA . 52542 1 1048 . 1 . 1 260 260 GLU CB C 13 27.982 0.20 . 1 . . . . . 260 GLU CB . 52542 1 1049 . 1 . 1 260 260 GLU N N 15 117.635 0.05 . 1 . . . . . 260 GLU N . 52542 1 1050 . 1 . 1 261 261 LEU H H 1 7.047 0.00 . 1 . . . . . 261 LEU H . 52542 1 1051 . 1 . 1 261 261 LEU C C 13 179.462 0.00 . 1 . . . . . 261 LEU C . 52542 1 1052 . 1 . 1 261 261 LEU CA C 13 56.580 0.00 . 1 . . . . . 261 LEU CA . 52542 1 1053 . 1 . 1 261 261 LEU CB C 13 40.105 0.00 . 1 . . . . . 261 LEU CB . 52542 1 1054 . 1 . 1 261 261 LEU N N 15 119.200 0.03 . 1 . . . . . 261 LEU N . 52542 1 1055 . 1 . 1 262 262 LEU C C 13 177.085 0.00 . 1 . . . . . 262 LEU C . 52542 1 1056 . 1 . 1 262 262 LEU CA C 13 56.490 0.00 . 1 . . . . . 262 LEU CA . 52542 1 1057 . 1 . 1 263 263 ILE H H 1 7.678 0.00 . 1 . . . . . 263 ILE H . 52542 1 1058 . 1 . 1 263 263 ILE C C 13 175.942 0.01 . 1 . . . . . 263 ILE C . 52542 1 1059 . 1 . 1 263 263 ILE CA C 13 63.781 0.00 . 1 . . . . . 263 ILE CA . 52542 1 1060 . 1 . 1 263 263 ILE CB C 13 37.654 0.00 . 1 . . . . . 263 ILE CB . 52542 1 1061 . 1 . 1 263 263 ILE N N 15 114.369 0.03 . 1 . . . . . 263 ILE N . 52542 1 1062 . 1 . 1 264 264 SER H H 1 8.156 0.00 . 1 . . . . . 264 SER H . 52542 1 1063 . 1 . 1 264 264 SER C C 13 175.966 0.01 . 1 . . . . . 264 SER C . 52542 1 1064 . 1 . 1 264 264 SER CA C 13 58.039 0.01 . 1 . . . . . 264 SER CA . 52542 1 1065 . 1 . 1 264 264 SER CB C 13 65.401 0.08 . 1 . . . . . 264 SER CB . 52542 1 1066 . 1 . 1 264 264 SER N N 15 109.991 0.02 . 1 . . . . . 264 SER N . 52542 1 1067 . 1 . 1 265 265 GLY H H 1 8.088 0.00 . 1 . . . . . 265 GLY H . 52542 1 1068 . 1 . 1 265 265 GLY C C 13 172.328 0.01 . 1 . . . . . 265 GLY C . 52542 1 1069 . 1 . 1 265 265 GLY CA C 13 45.107 0.04 . 1 . . . . . 265 GLY CA . 52542 1 1070 . 1 . 1 265 265 GLY N N 15 112.030 0.03 . 1 . . . . . 265 GLY N . 52542 1 1071 . 1 . 1 266 266 LEU H H 1 7.594 0.00 . 1 . . . . . 266 LEU H . 52542 1 1072 . 1 . 1 266 266 LEU C C 13 182.099 0.00 . 1 . . . . . 266 LEU C . 52542 1 1073 . 1 . 1 266 266 LEU CA C 13 56.032 0.00 . 1 . . . . . 266 LEU CA . 52542 1 1074 . 1 . 1 266 266 LEU CB C 13 42.328 0.00 . 1 . . . . . 266 LEU CB . 52542 1 1075 . 1 . 1 266 266 LEU N N 15 126.100 0.02 . 1 . . . . . 266 LEU N . 52542 1 stop_ save_ ######################### # Spectral peak lists # ######################### save_spectral_peak_list_1 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_1 _Spectral_peak_list.Entry_ID 52542 _Spectral_peak_list.ID 1 _Spectral_peak_list.Name 15N-HSQC _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 1 _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 2 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 ?-? 111.801 8.655 ?-? 122.892 8.194 ?-? 121.429 7.938 ?-? 118.785 8.519 ?-? 118.008 6.590 ?-? 125.556 7.697 ?-? 113.062 7.874 ?-? 116.048 7.725 ?-? 113.085 7.683 ?-? 114.109 7.314 ?-? 118.357 6.799 ?-? 118.743 7.820 ?-? 118.687 7.754 ?-? 113.574 7.113 ?-? 123.930 7.373 ?-? 109.187 8.275 ?-? 113.622 8.818 ?-? 125.580 7.806 ?-? 117.992 7.332 ?-? 113.126 7.065 ?-? 112.559 8.749 ?-? 112.527 8.858 ?-? 122.407 9.871 ?-? 113.944 6.905 ?-? 119.474 7.696 G3N-H 109.548 8.623 S4N-H 116.435 8.364 D5N-H 121.741 8.536 F6N-H 121.000 8.365 D7N-H 118.514 8.172 V8N-H 120.062 7.751 K9N-H 120.994 7.938 R10N-H 118.715 8.833 K11N-H 119.210 7.750 Y12N-H 121.391 7.760 F13N-H 120.245 8.963 R14N-H 115.756 8.353 Q15N-H 119.674 7.963 E16N-H 120.245 8.301 E18N-H 117.631 7.787 R19N-H 120.572 7.764 L20N-H 118.289 7.632 D21N-H 117.180 7.296 E22N-H 121.999 7.270 G23N-H 111.316 8.756 L24N-H 121.540 7.694 R25N-H 126.926 8.708 K26N-H 124.339 8.222 E27N-H 120.818 8.032 D28N-H 119.923 8.252 M29N-H 126.557 9.023 A30N-H 129.884 8.399 H32N-H 127.003 8.929 V33N-H 113.390 8.337 R35N-H 124.162 9.281 D36N-H 112.741 8.626 H37N-H 119.028 7.941 V38N-H 120.411 8.146 F39N-H 124.381 9.537 E40N-H 118.140 9.126 D41N-H 119.985 8.934 R44N-H 122.173 8.113 E45N-H 115.204 8.084 L46N-H 112.858 8.040 H47N-H 119.860 8.622 R48N-H 115.597 7.863 K49N-H 118.391 6.863 S50N-H 120.914 9.634 E52N-H 113.530 8.014 E53N-H 120.640 7.791 M54N-H 113.061 7.370 K55N-H 117.388 7.080 N56N-H 115.479 7.175 R57N-H 118.699 7.918 L58N-H 124.484 8.721 Y59N-H 125.032 8.221 I60N-H 124.535 7.963 V61N-H 127.175 8.281 F62N-H 127.246 8.596 E63N-H 125.405 8.791 G64N-H 113.903 8.982 E65N-H 119.344 7.847 E66N-H 122.163 8.680 G67N-H 110.085 8.599 Q68N-H 119.469 8.055 D69N-H 120.383 8.247 A70N-H 127.746 8.668 G71N-H 107.750 8.641 G72N-H 111.534 8.249 L73N-H 122.588 8.063 L74N-H 120.255 7.871 R75N-H 117.319 7.799 E76N-H 120.472 8.237 W77N-H 120.633 8.961 W77NE1-HE1 126.075 9.553 Y78N-H 116.990 8.661 M79N-H 119.260 7.953 I80N-H 119.607 8.605 I81N-H 120.557 8.799 S82N-H 114.154 7.617 R83N-H 118.380 7.113 E84N-H 118.823 8.555 M85N-H 114.643 7.691 F86N-H 113.792 6.388 N87N-H 123.708 7.853 M89N-H 118.113 8.518 Y90N-H 116.204 6.997 A91N-H 113.628 7.395 L92N-H 115.560 7.710 F93N-H 112.798 7.682 R94N-H 120.161 9.588 T95N-H 114.099 8.479 S96N-H 119.375 8.272 G98N-H 108.629 7.976 D99N-H 119.690 8.279 R100N-H 117.370 7.634 V101N-H 124.691 8.317 T102N-H 117.585 7.333 Y103N-H 118.304 8.312 T104N-H 111.644 8.855 I105N-H 124.407 8.147 N106N-H 125.365 8.645 S108N-H 112.154 7.291 S109N-H 117.588 7.751 N114N-H 114.394 7.728 H115N-H 119.256 8.497 L116N-H 119.360 7.591 S117N-H 114.935 7.695 Y118N-H 121.268 8.070 F119N-H 119.007 9.136 Y131N-H 125.820 9.607 D132N-H 119.160 9.015 N133N-H 119.326 8.240 R134N-H 119.414 8.480 L135N-H 120.903 7.758 L136N-H 119.885 8.420 E137N-H 121.952 8.190 C138N-H 117.745 6.824 Y139N-H 121.839 7.575 F140N-H 120.474 7.608 T141N-H 109.843 7.569 R142N-H 120.865 8.550 L149N-H 116.564 7.395 G150N-H 106.712 7.795 K151N-H 120.223 8.156 S152N-H 117.299 8.398 V153N-H 119.806 8.498 R154N-H 123.024 8.977 Y155N-H 122.211 9.490 T156N-H 108.350 6.146 D157N-H 122.240 8.102 M158N-H 115.322 7.760 E159N-H 120.489 6.651 S160N-H 106.842 7.514 E161N-H 119.956 7.011 D162N-H 118.645 8.433 Y163N-H 126.252 8.879 H164N-H 116.622 8.602 F165N-H 122.587 7.892 Y166N-H 119.756 8.588 Q167N-H 116.954 8.398 G168N-H 106.651 7.333 L169N-H 122.623 7.366 V170N-H 118.769 7.787 Y171N-H 118.006 7.591 L172N-H 118.229 7.386 L173N-H 115.089 7.776 E174N-H 115.450 7.689 N175N-H 117.334 7.091 D176N-H 117.798 8.116 V177N-H 127.227 9.350 S178N-H 118.320 9.113 T179N-H 111.141 7.884 L180N-H 121.075 7.174 G181N-H 103.746 8.152 Y182N-H 115.173 6.882 D183N-H 118.782 8.467 L184N-H 124.426 8.959 T185N-H 109.676 7.949 F186N-H 121.823 8.121 S187N-H 117.152 9.058 T188N-H 114.395 8.745 E189N-H 125.738 8.173 V190N-H 124.051 8.915 Q191N-H 126.038 8.473 E192N-H 125.734 8.236 F193N-H 127.226 9.808 G194N-H 103.574 8.493 V195N-H 121.539 7.602 C196N-H 126.816 8.756 E197N-H 125.642 8.758 V198N-H 123.167 8.556 R199N-H 128.264 8.955 D200N-H 123.542 8.566 L201N-H 118.606 8.870 K202N-H 112.958 7.835 N204N-H 119.597 9.087 G205N-H 104.707 8.252 A206N-H 120.810 8.142 N207N-H 111.261 7.952 I208N-H 123.460 7.850 L209N-H 126.331 7.955 V210N-H 124.188 8.297 T211N-H 120.618 9.666 E212N-H 118.465 9.008 E213N-H 114.965 7.941 N214N-H 114.522 7.363 K215N-H 117.660 7.734 K216N-H 120.808 8.472 E217N-H 122.781 7.632 Y218N-H 119.247 7.984 V219N-H 118.252 8.292 H220N-H 117.892 7.682 L221N-H 117.551 8.556 V222N-H 122.444 9.333 C223N-H 120.462 7.684 T228N-H 107.152 7.667 G229N-H 110.857 8.580 I231N-H 106.686 6.930 R232N-H 121.842 6.965 K233N-H 117.797 8.620 Q234N-H 123.505 9.728 E244N-H 116.179 7.199 I245N-H 115.340 7.072 K248N-H 126.208 8.353 R249N-H 114.965 8.715 L250N-H 117.368 7.424 S252N-H 110.604 7.804 I253N-H 114.829 6.875 F254N-H 121.089 7.366 T255N-H 109.330 8.948 E256N-H 119.610 10.391 Q257N-H 119.119 8.061 E258N-H 119.274 7.359 E260N-H 117.620 6.820 L261N-H 119.192 7.046 I263N-H 114.398 7.681 S264N-H 109.956 8.157 G265N-H 111.988 8.087 L266N-H 126.117 7.594 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . N 15 N . aliased 30 ppm . . . . . . 52542 1 2 . . H 1 HN . 'not observed' 12 ppm . . . . . . 52542 1 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 2 $software_2 . . 52542 1 3 $software_3 . . 52542 1 stop_ save_ save_spectral_peak_list_2 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_2 _Spectral_peak_list.Entry_ID 52542 _Spectral_peak_list.ID 2 _Spectral_peak_list.Name '15N-edited NOESY-HSQC' _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 2 _Spectral_peak_list.Experiment_name '3D 1H-15N NOESY' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 ?-?-? 114.083 5.246 7.624 ?-?-? 118.414 5.253 7.117 ?-?-? 119.118 5.585 8.064 ?-?-? 119.312 5.586 7.363 ?-?-? 126.021 5.629 9.553 ?-?-? 109.008 5.882 8.276 ?-?-? 122.126 6.119 9.503 ?-?-? 122.174 6.143 8.106 R154N-T156H-R154H 123.025 6.145 8.976 M158N-T156H-M158H 115.371 6.153 7.766 ?-?-? 118.394 6.194 6.865 ?-?-? 121.887 6.377 7.573 ?-?-? 123.773 6.388 7.853 ?-?-? 114.629 6.389 7.694 ?-?-? 117.343 6.588 7.090 ?-?-? 118.449 6.589 7.195 ?-?-? 109.825 6.590 7.579 ?-?-? 118.007 6.592 6.592 ?-?-? 110.771 6.600 6.598 ?-?-? 110.822 6.606 7.405 ?-?-? 122.163 6.642 8.099 M158N-E159H-M158H 115.313 6.649 7.764 E161N-E159H-E161H 119.848 6.654 7.011 S160N-E159H-S160H 106.807 6.657 7.513 ?-?-? 111.791 6.674 6.674 ?-?-? 111.783 6.674 7.395 ?-?-? 111.898 6.680 6.854 ?-?-? 111.690 6.681 6.765 ?-?-? 111.295 6.719 6.717 ?-?-? 111.300 6.720 7.176 ?-?-? 112.897 6.760 6.757 ?-?-? 112.654 6.768 6.768 ?-?-? 112.852 6.777 7.425 ?-?-? 124.592 6.786 7.958 ?-?-? 121.415 6.799 7.934 ?-?-? 112.625 6.805 6.801 ?-?-? 123.762 6.827 7.858 E137N-C138H-E137H 121.924 6.829 8.191 ?-?-? 119.455 6.832 8.607 ?-?-? 119.184 6.836 7.046 ?-?-? 111.843 6.844 7.584 ?-?-? 111.900 6.853 6.673 ?-?-? 112.673 6.853 7.573 ?-?-? 118.218 6.854 7.388 ?-?-? 111.881 6.857 6.852 ?-?-? 112.893 6.858 7.547 ?-?-? 112.841 6.860 7.525 ?-?-? 112.807 6.861 7.476 ?-?-? 113.585 6.862 6.859 ?-?-? 115.551 6.862 8.379 ?-?-? 114.626 6.863 7.508 ?-?-? 115.561 6.867 7.857 ?-?-? 121.896 6.867 7.570 S252N-I253H-S252H 110.588 6.877 7.806 F254N-I253H-F254H 121.028 6.885 7.364 ?-?-? 103.748 6.890 8.153 ?-?-? 114.984 6.892 6.955 ?-?-? 122.339 6.908 9.858 ?-?-? 113.972 6.910 7.314 ?-?-? 116.992 6.921 8.408 ?-?-? 119.358 6.944 8.557 ?-?-? 106.619 6.946 6.929 ?-?-? 110.841 6.946 8.579 ?-?-? 118.427 6.952 8.559 ?-?-? 121.851 6.959 6.967 Q234N-R232H-Q234H 123.419 6.963 9.731 ?-?-? 119.104 6.968 9.015 ?-?-? 118.130 6.999 8.516 ?-?-? 112.838 6.999 7.422 ?-?-? 116.191 7.001 6.997 A91N-Y90H-A91H 113.528 7.002 7.397 Y163N-E161H-Y163H 126.264 7.002 8.881 E159N-E161H-E159H 120.523 7.004 6.656 S160N-E161H-S160H 106.801 7.010 7.513 D162N-E161H-D162H 118.613 7.012 8.441 ?-?-? 124.106 7.013 9.281 ?-?-? 127.250 7.025 8.594 ?-?-? 111.903 7.031 6.855 ?-?-? 117.610 7.038 6.822 ?-?-? 118.391 7.039 6.864 ?-?-? 103.717 7.045 6.911 ?-?-? 108.285 7.046 6.148 ?-?-? 121.437 7.048 7.756 ?-?-? 118.260 7.049 7.047 ?-?-? 112.702 7.051 7.678 ?-?-? 112.937 7.058 7.372 ?-?-? 125.343 7.072 8.648 ?-?-? 112.823 7.076 6.860 ?-?-? 120.121 7.077 9.593 ?-?-? 120.699 7.084 7.789 L173N-N175H-L173H 115.110 7.086 7.781 ?-?-? 116.179 7.087 7.202 ?-?-? 122.154 7.088 9.503 ?-?-? 111.861 7.091 6.673 ?-?-? 112.170 7.094 7.289 ?-?-? 118.922 7.095 9.134 E174N-N175H-E174H 115.455 7.098 7.690 ?-?-? 114.481 7.112 7.687 ?-?-? 118.832 7.114 8.558 ?-?-? 120.981 7.121 7.361 ?-?-? 121.795 7.124 8.127 ?-?-? 117.807 7.125 8.120 ?-?-? 114.074 7.130 7.624 ?-?-? 115.067 7.156 6.881 ?-?-? 120.537 7.159 9.667 ?-?-? 109.485 7.169 7.461 ?-?-? 109.412 7.169 7.177 ?-?-? 109.142 7.172 7.156 ?-?-? 103.742 7.177 8.154 ?-?-? 121.052 7.180 7.176 T179N-L180H-T179H 111.119 7.180 7.883 ?-?-? 111.301 7.181 6.717 ?-?-? 111.286 7.181 7.177 ?-?-? 118.154 7.183 7.191 ?-?-? 118.283 7.184 9.117 ?-?-? 118.493 7.193 6.582 ?-?-? 115.331 7.207 7.070 ?-?-? 111.895 7.226 6.857 ?-?-? 112.846 7.270 6.862 ?-?-? 121.943 7.277 7.269 ?-?-? 121.461 7.282 7.692 ?-?-? 117.159 7.288 7.296 G23N-E22H-G23H 111.286 7.290 8.756 ?-?-? 118.290 7.300 7.633 ?-?-? 119.881 7.304 7.010 ?-?-? 113.965 7.320 6.903 ?-?-? 119.348 7.335 8.278 ?-?-? 116.032 7.336 7.724 V101N-T102H-V101H 124.668 7.340 8.316 Q167N-G168H-Q167H 116.959 7.342 8.407 K215N-N214H-K215H 117.639 7.352 7.730 ?-?-? 119.458 7.359 8.602 E213N-N214H-E213H 114.942 7.366 7.943 E212N-N214H-E212H 118.525 7.367 9.005 ?-?-? 119.309 7.367 7.363 Q257N-E258H-Q257H 119.116 7.368 8.061 ?-?-? 120.577 7.369 7.786 V170N-L169H-V170H 118.774 7.372 7.790 ?-?-? 123.861 7.373 7.383 T255N-E258H-T255H 109.241 7.373 8.942 I253N-F254H-I253H 114.885 7.374 6.877 ?-?-? 120.201 7.374 8.160 E256N-E258H-E256H 119.544 7.375 10.393 ?-?-? 113.522 7.379 8.016 ?-?-? 115.381 7.380 7.391 Y171N-L169H-Y171H 118.012 7.381 7.592 ?-?-? 112.676 7.384 7.390 ?-?-? 120.718 7.384 8.470 ?-?-? 120.572 7.387 9.666 L173N-L172H-L173H 115.132 7.392 7.779 ?-?-? 106.721 7.397 7.796 ?-?-? 116.201 7.399 7.000 ?-?-? 111.770 7.399 7.394 ?-?-? 111.783 7.399 6.675 ?-?-? 112.044 7.407 6.856 ?-?-? 110.834 7.408 7.404 ?-?-? 118.703 7.409 7.758 ?-?-? 116.195 7.411 7.202 ?-?-? 110.809 7.411 6.599 ?-?-? 110.525 7.413 7.801 ?-?-? 113.633 7.421 6.858 ?-?-? 112.839 7.425 7.000 R249N-L250H-R249H 114.982 7.428 8.715 K248N-L250H-K248H 126.173 7.439 8.354 ?-?-? 122.392 7.444 9.332 ?-?-? 120.435 7.448 7.685 ?-?-? 103.055 7.470 6.860 ?-?-? 109.071 7.477 7.468 ?-?-? 112.808 7.478 6.859 ?-?-? 112.810 7.483 6.905 ?-?-? 123.860 7.510 7.377 ?-?-? 114.622 7.510 6.860 D162N-S160H-D162H 118.577 7.511 8.440 E161N-S160H-E161H 119.882 7.513 7.012 E159N-S160H-E159H 120.506 7.516 6.656 ?-?-? 113.598 7.530 6.858 ?-?-? 112.144 7.531 7.291 ?-?-? 113.700 7.550 6.853 ?-?-? 121.127 7.555 7.364 ?-?-? 122.689 7.567 7.367 L172N-Y171H-L172H 118.215 7.572 7.386 ?-?-? 109.236 7.573 8.940 ?-?-? 106.686 7.574 7.335 ?-?-? 111.845 7.581 6.841 ?-?-? 111.804 7.588 7.585 ?-?-? 117.698 7.597 6.826 G194N-V195H-G194H 103.552 7.603 8.492 ?-?-? 125.713 7.608 8.236 V170N-Y171H-V170H 118.757 7.609 7.788 ?-?-? 120.599 7.622 8.796 V101N-R100H-V101H 124.649 7.623 8.316 ?-?-? 119.629 7.624 8.613 ?-?-? 111.974 7.629 8.086 ?-?-? 120.735 7.634 8.830 ?-?-? 118.432 7.637 7.114 D99N-R100H-D99H 119.771 7.641 8.289 ?-?-? 108.549 7.642 7.976 ?-?-? 117.154 7.643 7.296 ?-?-? 118.294 7.646 7.633 Y218N-E217H-Y218H 119.173 7.649 7.987 ?-?-? 112.790 7.651 6.857 K216N-E217H-K216H 120.751 7.652 8.469 ?-?-? 121.957 7.657 7.269 ?-?-? 113.578 7.668 7.112 V219N-H220H-V219H 118.235 7.669 8.299 ?-?-? 110.844 7.673 8.577 ?-?-? 113.050 7.675 7.878 ?-?-? 109.936 7.679 8.157 L221N-C223H-L221H 117.464 7.685 8.555 ?-?-? 118.910 7.688 8.554 F119N-S117H-F119H 119.018 7.689 9.138 R25N-L24H-R25H 126.937 7.695 8.710 V222N-C223H-V222H 122.440 7.695 9.335 ?-?-? 112.743 7.696 7.683 ?-?-? 111.302 7.698 8.756 ?-?-? 125.408 7.698 8.649 Y118N-S117H-Y118H 121.249 7.699 8.070 ?-?-? 113.568 7.701 7.396 ?-?-? 113.728 7.702 6.386 ?-?-? 123.942 7.704 7.377 N175N-E174H-N175H 117.317 7.708 7.091 ?-?-? 103.144 7.722 7.726 ?-?-? 120.553 7.724 9.666 ?-?-? 123.247 7.725 8.967 H115N-N114H-H115H 119.193 7.729 8.499 N214N-K215H-N214H 114.417 7.730 7.364 ?-?-? 117.196 7.732 7.423 ?-?-? 114.032 7.733 6.903 ?-?-? 114.084 7.736 6.898 ?-?-? 114.099 7.740 7.312 ?-?-? 114.964 7.748 7.943 R10N-V8H-R10H 118.713 7.749 8.833 ?-?-? 112.148 7.753 7.291 ?-?-? 121.006 7.753 7.937 D7N-V8H-D7H 118.472 7.754 8.172 ?-?-? 106.781 7.758 7.511 ?-?-? 120.175 7.759 8.968 ?-?-? 120.489 7.761 6.651 ?-?-? 122.180 7.763 8.099 T156N-M158H-T156H 108.341 7.769 6.146 ?-?-? 118.228 7.769 7.325 Y171N-V170H-Y171H 118.004 7.779 7.591 ?-?-? 120.538 7.781 8.063 L172N-L173H-L172H 118.223 7.782 7.388 ?-?-? 121.177 7.784 7.359 ?-?-? 116.591 7.787 7.391 L169N-V170H-L169H 122.624 7.789 7.364 ?-?-? 112.949 7.791 7.367 ?-?-? 117.480 7.791 7.863 ?-?-? 117.448 7.793 7.878 ?-?-? 113.518 7.799 8.015 I253N-S252H-I253H 114.798 7.800 6.878 G168N-V170H-G168H 106.659 7.802 7.337 ?-?-? 127.207 7.802 9.350 ?-?-? 120.967 7.803 9.631 K151N-G150H-K151H 120.217 7.808 8.157 ?-?-? 119.554 7.811 7.813 ?-?-? 120.354 7.822 8.235 ?-?-? 117.356 7.830 7.638 ?-?-? 118.326 7.831 8.416 L201N-K202H-L201H 118.565 7.837 8.870 ?-?-? 111.498 7.848 8.252 ?-?-? 113.900 7.848 8.983 E66N-E65H-E66H 122.099 7.850 8.679 ?-?-? 120.713 7.851 8.976 ?-?-? 113.743 7.854 6.385 ?-?-? 104.698 7.862 8.251 ?-?-? 118.405 7.867 6.864 ?-?-? 122.610 7.873 8.065 ?-?-? 107.216 7.874 7.662 Q167N-F165H-Q167H 116.971 7.885 8.407 L180N-T179H-L180H 121.052 7.889 7.176 S178N-T179H-S178H 118.257 7.892 9.116 ?-?-? 110.842 7.894 8.579 H164N-F165H-H164H 116.606 7.897 8.596 ?-?-? 121.768 7.908 8.132 M29N-R57H-M29H 126.499 7.927 9.021 ?-?-? 114.441 7.928 7.506 ?-?-? 124.364 7.931 9.538 ?-?-? 120.043 7.931 7.747 R10N-K9H-R10H 118.708 7.935 8.833 ?-?-? 111.191 7.935 7.951 ?-?-? 124.075 7.937 9.281 ?-?-? 110.268 7.940 7.951 ?-?-? 111.204 7.940 7.999 ?-?-? 118.330 7.941 6.792 D36N-H37H-D36H 112.766 7.941 8.627 ?-?-? 125.017 7.943 8.222 N214N-E213H-N214H 114.406 7.943 7.360 ?-?-? 117.156 7.943 9.063 ?-?-? 120.713 7.944 8.140 ?-?-? 120.549 7.946 9.665 ?-?-? 118.467 7.948 9.007 ?-?-? 109.673 7.949 7.949 ?-?-? 116.945 7.949 8.655 ?-?-? 119.668 7.951 8.606 ?-?-? 127.006 7.954 8.270 R14N-Q15H-R14H 115.810 7.969 8.350 ?-?-? 120.789 7.975 8.476 ?-?-? 110.561 7.975 7.801 ?-?-? 108.586 7.980 7.975 ?-?-? 120.219 7.982 8.307 ?-?-? 118.464 7.983 8.171 ?-?-? 113.598 7.984 7.951 E217N-Y218H-E217H 122.771 7.990 7.634 V219N-Y218H-V219H 118.203 7.996 8.296 ?-?-? 130.448 7.997 7.988 ?-?-? 120.950 8.004 9.633 ?-?-? 120.614 8.010 7.787 ?-?-? 112.966 8.019 7.371 ?-?-? 118.224 8.021 7.636 ?-?-? 120.630 8.024 8.020 ?-?-? 119.765 8.039 8.620 ?-?-? 128.425 8.041 8.049 G67N-Q68H-G67H 110.103 8.046 8.598 L74N-L73H-L74H 120.226 8.056 7.871 E256N-Q257H-E256H 119.614 8.069 10.391 E258N-Q257H-E258H 119.316 8.072 7.361 ?-?-? 120.300 8.076 8.238 ?-?-? 114.874 8.077 7.695 G72N-L73H-G72H 111.511 8.079 8.248 F119N-Y118H-F119H 119.008 8.081 9.137 ?-?-? 119.108 8.082 8.116 ?-?-? 119.387 8.091 7.595 ?-?-? 117.803 8.095 8.069 L266N-G265H-L266H 126.097 8.098 7.594 ?-?-? 120.509 8.101 6.653 ?-?-? 117.297 8.102 7.088 R154N-D157H-R154H 122.997 8.103 8.970 ?-?-? 111.962 8.103 8.088 M158N-D157H-M158H 115.291 8.110 7.764 T156N-D157H-T156H 108.329 8.111 6.145 ?-?-? 123.500 8.115 7.854 ?-?-? 119.751 8.129 8.939 ?-?-? 117.119 8.132 9.059 ?-?-? 111.137 8.133 7.886 V177N-D176H-V177H 127.274 8.134 9.355 ?-?-? 118.290 8.140 9.116 ?-?-? 114.411 8.140 7.676 ?-?-? 109.923 8.144 8.159 L180N-G181H-L180H 121.060 8.148 7.176 ?-?-? 111.263 8.150 7.952 ?-?-? 124.376 8.158 9.536 ?-?-? 115.138 8.158 6.881 ?-?-? 103.729 8.159 8.152 ?-?-? 116.652 8.160 7.391 T188N-E189H-T188H 114.422 8.160 8.744 G150N-K151H-G150H 106.720 8.160 7.797 ?-?-? 118.958 8.162 7.938 ?-?-? 112.763 8.166 8.628 V8N-D7H-V8H 120.019 8.168 7.749 ?-?-? 119.466 8.169 8.166 ?-?-? 119.247 8.173 7.056 F6N-D7H-F6H 120.979 8.182 8.367 ?-?-? 117.044 8.185 8.664 C138N-E137H-C138H 117.703 8.187 6.823 ?-?-? 126.880 8.216 8.710 ?-?-? 120.643 8.224 8.021 ?-?-? 126.478 8.226 9.023 ?-?-? 117.323 8.238 7.804 W77N-E76H-W77H 120.721 8.238 8.968 K202N-G205H-K202H 112.897 8.244 7.835 G194N-E192H-G194H 103.508 8.244 8.496 D132N-N133H-D132H 119.094 8.245 9.017 L73N-G72H-L73H 122.613 8.246 8.065 ?-?-? 121.520 8.247 7.602 N204N-G205H-N204H 119.585 8.252 9.086 ?-?-? 122.779 8.252 7.630 ?-?-? 119.895 8.258 8.253 A70N-D69H-A70H 127.782 8.258 8.662 ?-?-? 107.695 8.259 8.640 ?-?-? 119.343 8.260 8.484 Q68N-D69H-Q68H 119.385 8.263 8.051 ?-?-? 126.086 8.265 8.473 ?-?-? 117.527 8.301 7.332 ?-?-? 117.827 8.301 8.122 ?-?-? 124.206 8.302 8.298 H220N-V219H-H220H 117.815 8.303 7.678 R100N-V101H-R100H 117.331 8.304 7.635 ?-?-? 119.149 8.306 8.339 ?-?-? 120.175 8.306 8.304 ?-?-? 120.538 8.308 8.059 ?-?-? 109.777 8.311 7.569 ?-?-? 127.313 8.319 8.596 ?-?-? 119.565 8.332 7.957 ?-?-? 125.334 8.335 8.790 ?-?-? 118.465 8.345 8.172 L250N-K248H-L250H 117.384 8.349 7.424 ?-?-? 120.224 8.352 8.969 R249N-K248H-R249H 114.963 8.363 8.714 ?-?-? 121.820 8.368 8.526 ?-?-? 122.565 8.373 7.890 ?-?-? 120.108 8.380 7.748 ?-?-? 115.532 8.383 6.862 ?-?-? 112.843 8.390 8.049 ?-?-? 111.491 8.403 8.249 ?-?-? 129.898 8.405 8.400 G168N-Q167H-G168H 106.690 8.408 7.336 ?-?-? 118.695 8.416 7.754 L169N-Q167H-L169H 122.607 8.417 7.365 ?-?-? 117.741 8.417 6.821 S160N-D162H-S160H 106.808 8.443 7.512 ?-?-? 113.005 8.443 7.879 E161N-D162H-E161H 119.898 8.448 7.012 E217N-K216H-E217H 122.747 8.472 7.633 N133N-R134H-N133H 119.301 8.479 8.250 ?-?-? 127.255 8.484 9.797 ?-?-? 114.097 8.484 8.479 ?-?-? 125.712 8.486 8.236 ?-?-? 119.141 8.486 9.013 ?-?-? 112.970 8.487 7.839 ?-?-? 104.722 8.488 8.254 ?-?-? 121.522 8.492 7.602 ?-?-? 117.719 8.497 7.727 ?-?-? 127.067 8.500 9.816 L116N-H115H-L116H 119.369 8.500 7.594 ?-?-? 113.579 8.505 7.111 ?-?-? 114.299 8.506 7.732 ?-?-? 118.087 8.515 8.515 ?-?-? 116.200 8.516 6.995 ?-?-? 113.558 8.518 7.399 ?-?-? 113.428 8.535 8.340 C223N-L221H-C223H 120.470 8.549 7.686 ?-?-? 114.593 8.552 7.694 V222N-L221H-V222H 122.439 8.553 9.332 H220N-L221H-H220H 117.843 8.555 7.680 ?-?-? 118.430 8.565 7.116 ?-?-? 106.612 8.570 6.928 ?-?-? 113.772 8.572 6.382 T141N-R142H-T141H 109.851 8.576 7.571 ?-?-? 127.119 8.578 8.283 ?-?-? 121.847 8.578 6.969 ?-?-? 117.003 8.578 8.408 ?-?-? 107.208 8.581 7.665 ?-?-? 110.831 8.583 8.577 ?-?-? 114.176 8.586 7.623 F165N-H164H-F165H 122.548 8.600 7.892 ?-?-? 106.709 8.602 7.335 ?-?-? 120.324 8.606 8.155 Y163N-H164H-Y163H 126.235 8.607 8.877 ?-?-? 124.558 8.608 8.153 ?-?-? 117.559 8.614 6.819 ?-?-? 125.409 8.615 8.780 ?-?-? 119.324 8.619 8.056 ?-?-? 112.829 8.622 8.041 Q234N-K233H-Q234H 123.507 8.622 9.730 ?-?-? 120.589 8.622 8.800 ?-?-? 124.135 8.624 9.280 ?-?-? 115.545 8.624 7.858 ?-?-? 115.202 8.625 8.081 ?-?-? 119.296 8.625 7.362 ?-?-? 118.769 8.631 7.819 ?-?-? 119.081 8.633 7.947 ?-?-? 120.175 8.642 9.585 G72N-G71H-G72H 111.504 8.645 8.248 ?-?-? 123.920 8.656 7.372 ?-?-? 120.307 8.662 8.238 ?-?-? 122.688 8.666 8.068 W77N-Y78H-W77H 120.709 8.669 8.971 ?-?-? 118.391 8.670 6.864 ?-?-? 119.304 8.681 7.844 ?-?-? 124.334 8.696 8.220 K248N-R249H-K248H 126.176 8.715 8.352 L250N-R249H-L250H 117.346 8.720 7.423 ?-?-? 125.829 8.733 8.238 ?-?-? 130.112 8.734 8.397 ?-?-? 121.501 8.756 7.695 ?-?-? 128.219 8.764 8.955 ?-?-? 121.952 8.771 7.270 ?-?-? 118.380 8.784 7.117 ?-?-? 121.404 8.792 7.763 ?-?-? 124.069 8.799 8.915 ?-?-? 113.386 8.800 8.341 ?-?-? 114.097 8.810 7.624 V8N-R10H-V8H 120.002 8.820 7.749 ?-?-? 124.157 8.821 9.274 K9N-R10H-K9H 120.993 8.837 7.935 K11N-R10H-K11H 119.201 8.842 7.746 ?-?-? 122.492 8.844 7.891 ?-?-? 120.148 8.859 9.587 ?-?-? 119.859 8.863 7.011 ?-?-? 104.692 8.866 8.248 H164N-Y163H-H164H 116.585 8.872 8.593 K202N-L201H-K202H 112.924 8.876 7.835 ?-?-? 123.248 8.896 8.560 ?-?-? 123.468 8.923 8.572 ?-?-? 124.068 8.925 8.915 E258N-T255H-E258H 119.254 8.932 7.368 ?-?-? 125.667 8.936 8.991 ?-?-? 125.971 8.941 8.474 ?-?-? 109.218 8.942 8.941 ?-?-? 128.233 8.950 8.916 ?-?-? 114.394 8.951 8.745 ?-?-? 118.078 8.954 9.123 ?-?-? 117.382 8.959 7.804 ?-?-? 119.404 8.960 7.953 ?-?-? 128.222 8.961 8.956 ?-?-? 124.406 8.964 8.958 Y78N-W77H-Y78H 116.894 8.964 8.659 ?-?-? 125.798 8.966 8.976 ?-?-? 120.279 8.967 8.966 R14N-F13H-R14H 115.798 8.969 8.350 ?-?-? 121.380 8.971 7.763 ?-?-? 125.877 8.974 8.949 ?-?-? 125.492 8.976 9.586 ?-?-? 125.543 8.978 8.999 ?-?-? 122.231 8.978 8.108 ?-?-? 122.330 8.982 9.015 E65N-G64H-E65H 119.351 8.984 7.846 ?-?-? 113.909 8.985 8.982 ?-?-? 120.368 8.986 8.237 ?-?-? 122.209 8.994 8.999 ?-?-? 122.179 8.995 8.950 ?-?-? 119.312 9.003 8.483 E213N-E212H-E213H 114.944 9.014 7.945 Y59N-M29H-Y59H 125.072 9.014 8.222 ?-?-? 125.824 9.014 9.607 R57N-M29H-R57H 118.597 9.015 7.914 ?-?-? 129.848 9.018 8.399 N133N-D132H-N133H 119.297 9.020 8.248 N214N-E212H-N214H 114.453 9.024 7.360 ?-?-? 109.673 9.024 7.947 ?-?-? 121.831 9.048 8.122 ?-?-? 120.079 9.052 8.500 ?-?-? 117.133 9.063 9.059 G205N-N204H-G205H 104.692 9.091 8.251 ?-?-? 119.915 9.111 8.933 T179N-S178H-T179H 111.118 9.112 7.882 L180N-S178H-L180H 121.035 9.115 7.181 V177N-S178H-V177H 127.230 9.121 9.351 ?-?-? 114.961 9.123 7.695 ?-?-? 124.385 9.130 9.538 Y118N-F119H-Y118H 121.283 9.143 8.070 ?-?-? 119.488 9.146 7.693 ?-?-? 125.448 9.277 8.794 D36N-R35H-D36H 112.729 9.283 8.627 ?-?-? 119.000 9.283 7.938 H220N-V222H-H220H 117.869 9.330 7.677 S178N-V177H-S178H 118.259 9.333 9.114 C223N-V222H-C223H 120.463 9.338 7.685 L221N-V222H-L221H 117.477 9.339 8.556 D176N-V177H-D176H 117.812 9.359 8.117 T156N-Y155H-T156H 108.315 9.500 6.146 ?-?-? 120.434 9.531 8.162 ?-?-? 119.035 9.533 7.941 ?-?-? 118.060 9.536 9.124 ?-?-? 119.881 9.537 8.932 ?-?-? 114.098 9.587 8.476 ?-?-? 120.136 9.590 9.587 ?-?-? 111.690 9.592 8.860 ?-?-? 125.273 9.597 8.635 ?-?-? 125.824 9.619 9.607 ?-?-? 118.920 9.621 9.012 ?-?-? 120.576 9.631 7.791 ?-?-? 118.570 9.634 6.859 ?-?-? 113.511 9.635 8.017 ?-?-? 112.994 9.642 7.366 ?-?-? 120.587 9.668 9.666 K215N-T211H-K215H 117.651 9.674 7.727 E213N-T211H-E213H 114.914 9.677 7.946 E212N-T211H-E212H 118.505 9.678 9.004 N214N-T211H-N214H 114.422 9.680 7.360 ?-?-? 122.407 9.726 9.860 K233N-Q234H-K233H 117.794 9.741 8.621 ?-?-? 121.842 9.749 6.971 G194N-F193H-G194H 103.529 9.804 8.492 ?-?-? 125.711 9.806 8.237 ?-?-? 121.488 9.810 7.601 ?-?-? 121.844 9.865 6.972 ?-?-? 123.505 9.875 9.729 ?-?-? 119.653 10.037 10.027 Q257N-E256H-Q257H 119.144 10.397 8.061 T255N-E256H-T255H 109.379 10.403 8.940 E258N-E256H-E258H 119.386 10.404 7.359 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . N 15 N . 'not observed' 28.7 ppm . . . . . . 52542 2 2 . . H 1 H . 'not observed' 12 ppm . . . . . . 52542 2 3 . . H 1 HN . 'not observed' 12 ppm . . . . . . 52542 2 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 2 $software_2 . . 52542 2 3 $software_3 . . 52542 2 stop_ save_ save_spectral_peak_list_3 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_3 _Spectral_peak_list.Entry_ID 52542 _Spectral_peak_list.ID 3 _Spectral_peak_list.Name HNCA _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 3 _Spectral_peak_list.Experiment_name '3D HNCA' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 Data Height ?-?-? 111.453 63.109 6.674 17856 ?-?-? 111.923 42.584 7.568 18240 ?-?-? 112.543 42.784 7.441 17947 ?-?-? 117.083 56.905 8.141 8687 ?-?-? 117.703 51.755 7.743 11550 ?-?-? 111.756 42.424 7.638 13776 ?-?-? 111.417 63.471 7.588 13821 ?-?-? 118.599 57.440 8.439 13684 ?-?-? 112.435 42.651 7.405 30400 ?-?-? 119.470 63.859 7.383 7486 ?-?-? 112.384 42.780 7.467 15523 ?-?-? 118.387 59.784 6.786 13229 ?-?-? 127.087 49.842 8.612 13620 ?-?-? 130.998 45.838 7.785 6482 ?-?-? 112.504 42.771 7.394 22967 ?-?-? 119.855 56.447 8.596 7015 ?-?-? 121.433 48.504 7.937 25737 ?-?-? 114.086 60.831 7.308 15296 ?-?-? 111.382 63.234 7.400 15871 ?-?-? 112.387 62.821 7.481 23152 ?-?-? 111.863 63.195 7.293 6096 ?-?-? 119.849 58.225 8.607 9635 ?-?-? 114.460 63.765 7.690 10117 ?-?-? 123.926 60.719 7.384 12017 ?-?-? 110.008 54.645 7.583 12311 ?-?-? 130.495 58.329 7.593 11807 ?-?-? 111.383 63.228 6.853 13535 ?-?-? 111.284 42.205 6.750 17097 ?-?-? 111.275 42.208 6.721 17923 ?-?-? 119.542 59.363 7.697 17033 ?-?-? 111.267 42.225 6.692 16181 ?-?-? 111.254 42.227 6.647 18346 ?-?-? 130.962 55.574 8.499 10036 ?-?-? 110.893 62.960 7.182 14440 ?-?-? 110.867 42.130 7.684 16947 ?-?-? 110.846 42.193 7.620 13176 ?-?-? 117.059 57.682 7.771 15384 ?-?-? 110.832 42.103 7.596 15033 ?-?-? 110.867 42.166 7.570 13865 ?-?-? 110.799 41.001 7.081 17617 ?-?-? 110.784 41.001 6.978 21320 ?-?-? 112.399 62.846 6.861 19627 ?-?-? 110.728 41.001 7.071 19454 ?-?-? 110.789 41.001 7.030 15427 ?-?-? 110.851 41.197 6.992 18404 ?-?-? 124.511 44.129 8.106 14171 ?-?-? 116.038 61.088 7.725 20196 G3N-P2CA-G3H 109.581 62.752 8.622 15842 G3N-CA-H 109.547 44.463 8.626 30843 S4N-G3CA-S4H 116.427 44.502 8.362 16628 S4N-CA-H 116.432 58.357 8.366 34585 D5N-S4CA-D5H 121.769 58.369 8.538 25641 D5N-CA-H 121.751 55.089 8.536 71596 F6N-CA-H 121.013 59.654 8.364 26561 D7N-F6CA-D7H 118.519 59.649 8.167 13139 D7N-CA-H 118.525 57.166 8.171 38557 V8N-D7CA-V8H 120.010 57.149 7.746 14641 V8N-CA-H 120.046 65.592 7.751 31338 K9N-CA-H 120.989 59.321 7.939 26760 R10N-CA-H 118.773 59.817 8.831 30746 K11N-CA-H 119.212 59.054 7.751 27306 Y12N-CA-H 121.407 60.439 7.760 19316 F13N-CA-H 120.211 60.049 8.967 18657 R14N-CA-H 115.836 57.590 8.349 24617 Q15N-CA-H 119.600 58.096 7.953 25902 E16N-CA-H 120.261 57.470 8.308 29721 E18N-L17CA-E18H 117.618 57.137 7.791 14307 E18N-CA-H 117.691 58.343 7.786 35384 R19N-CA-H 120.566 58.492 7.764 34496 L20N-R19CA-L20H 118.382 58.381 7.637 13354 L20N-CA-H 118.349 56.040 7.634 40566 D21N-CA-H 117.228 53.302 7.297 42910 E22N-CA-H 121.988 58.188 7.269 46400 G23N-E22CA-G23H 111.336 58.118 8.754 16731 G23N-CA-H 111.375 44.280 8.758 42463 L24N-G23CA-L24H 121.532 44.265 7.697 18348 L24N-CA-H 121.550 54.077 7.696 95936 R25N-CA-H 126.908 54.177 8.709 174955 K26N-R25CA-K26H 124.324 54.309 8.222 65072 K26N-CA-H 124.337 56.279 8.222 168352 E27N-K26CA-E27H 120.689 56.245 8.021 17971 E27N-CA-H 120.692 53.318 8.020 49317 D28N-CA-H 119.928 53.814 8.254 59487 M29N-CA-H 126.515 53.877 9.023 68165 A30N-M29CA-A30H 129.879 53.889 8.399 24138 A30N-CA-H 129.900 51.116 8.399 54756 H32N-V31CA-H32H 126.989 60.558 8.926 17873 H32N-CA-H 127.000 55.063 8.929 34461 V33N-H32CA-V33H 113.343 55.064 8.325 10779 V33N-CA-H 113.464 57.157 8.338 22279 R35N-R34CA-R35H 124.112 53.867 9.278 17545 R35N-CA-H 124.145 59.253 9.279 21349 D36N-CA-H 112.807 53.374 8.632 16858 H37N-CA-H 118.966 54.150 7.934 17259 V38N-CA-H 120.470 67.703 8.144 24716 F39N-CA-H 124.367 62.422 9.540 22387 E40N-F39CA-E40H 118.147 62.386 9.127 15640 E40N-CA-H 118.139 58.809 9.126 31593 D41N-CA-H 119.938 56.724 8.936 36716 R44N-CA-H 122.195 59.542 8.115 28389 E45N-CA-H 115.245 57.484 8.082 29131 L46N-CA-H 112.854 54.660 8.038 26402 H47N-CA-H 119.863 59.732 8.622 17735 R48N-CA-H 115.590 54.228 7.855 24174 K49N-CA-H 118.443 54.131 6.866 45712 S50N-K49CA-S50H 120.855 54.162 9.629 12392 S50N-CA-H 120.799 56.042 9.634 25867 E52N-P51CA-E52H 113.556 64.976 8.019 14100 E52N-CA-H 113.594 60.008 8.014 43858 E53N-CA-H 120.644 57.688 7.791 31425 M54N-CA-H 113.064 52.811 7.373 12816 K55N-CA-H 117.335 56.332 7.083 26194 N56N-CA-H 115.536 52.556 7.178 32349 R57N-N56CA-R57H 118.629 52.559 7.913 22210 R57N-CA-H 118.642 55.034 7.918 28456 L58N-R57CA-L58H 124.511 55.029 8.721 17944 L58N-CA-H 124.533 53.891 8.721 47250 I60N-Y59CA-I60H 124.550 55.332 7.961 27460 I60N-CA-H 124.549 57.809 7.960 48711 V61N-I60CA-V61H 127.148 57.712 8.287 14713 V61N-CA-H 127.130 60.235 8.283 23569 F62N-V61CA-F62H 127.261 60.181 8.598 23762 F62N-CA-H 127.272 55.593 8.594 36750 E63N-F62CA-E63H 125.386 55.686 8.790 16114 E63N-CA-H 125.404 57.249 8.792 34478 G64N-E63CA-G64H 113.933 57.270 8.981 23085 G64N-CA-H 113.924 44.928 8.985 33085 E65N-G64CA-E65H 119.385 44.907 7.847 17033 E65N-CA-H 119.397 54.321 7.848 98699 E66N-E65CA-E66H 122.176 54.302 8.681 79139 E66N-CA-H 122.185 55.695 8.681 168358 G67N-E66CA-G67H 110.147 55.685 8.601 97828 G67N-CA-H 110.159 45.210 8.600 257600 Q68N-G67CA-Q68H 119.482 45.214 8.056 76102 Q68N-CA-H 119.479 54.599 8.056 189967 D69N-Q68CA-D69H 120.431 54.623 8.252 56375 D69N-CA-H 120.425 53.357 8.250 133880 A70N-D69CA-A70H 127.747 53.375 8.671 17147 A70N-CA-H 127.765 54.407 8.669 22591 G71N-CA-H 107.792 46.177 8.641 34388 G72N-CA-H 111.564 46.225 8.249 43642 L73N-G72CA-L73H 122.605 46.182 8.073 13089 L73N-CA-H 122.662 56.889 8.065 33094 L74N-CA-H 120.267 57.301 7.871 21449 R75N-CA-H 117.342 59.293 7.804 18371 E76N-CA-H 120.444 59.263 8.236 26971 W77N-CA-H 120.751 62.703 8.974 11852 Y78N-CA-H 117.028 62.345 8.670 16420 M79N-CA-H 119.307 58.392 7.948 17262 I80N-CA-H 119.620 64.902 8.608 21748 S82N-CA-H 114.132 60.665 7.623 11011 R83N-CA-H 118.432 57.617 7.116 18208 E84N-CA-H 118.876 57.873 8.556 16599 M85N-CA-H 114.662 57.683 7.695 21700 F86N-CA-H 113.843 56.061 6.391 20319 N87N-CA-H 123.727 51.384 7.859 22159 M89N-CA-H 118.129 57.208 8.515 35446 Y90N-CA-H 116.235 57.195 7.002 38924 A91N-CA-H 113.614 52.357 7.393 19175 L92N-CA-H 115.516 55.955 7.701 28477 F93N-CA-H 112.813 55.768 7.681 39061 R94N-CA-H 120.204 53.019 9.588 32402 T95N-R94CA-T95H 114.109 53.010 8.477 30866 T95N-CA-H 114.148 60.595 8.478 63662 S96N-T95CA-S96H 119.380 60.610 8.272 14936 S96N-CA-H 119.383 54.906 8.277 43233 G98N-P97CA-G98H 108.695 62.828 7.977 70507 G98N-CA-H 108.702 44.172 7.976 181819 D99N-G98CA-D99H 119.663 44.139 8.286 23036 D99N-CA-H 119.685 55.224 8.287 32974 R100N-D99CA-R100H 117.303 55.298 7.635 28620 R100N-CA-H 117.349 53.716 7.635 154951 V101N-R100CA-V101H 124.729 53.688 8.318 30034 V101N-CA-H 124.746 63.147 8.318 48070 T102N-CA-H 117.556 59.003 7.334 24240 Y103N-T102CA-Y103H 118.298 58.997 8.316 14440 Y103N-CA-H 118.322 57.068 8.315 25050 T104N-Y103CA-T104H 111.711 57.188 8.860 15064 T104N-CA-H 111.742 57.948 8.857 26864 I105N-CA-H 124.521 62.467 8.145 23925 N106N-CA-H 125.344 49.270 8.643 16262 S108N-P107CA-S108H 112.233 63.694 7.289 8125 S108N-CA-H 112.197 56.717 7.293 29413 S109N-CA-H 117.554 60.720 7.756 13500 N114N-CA-H 114.292 51.950 7.728 27237 H115N-CA-H 119.222 60.131 8.498 15869 L116N-CA-H 119.416 58.269 7.598 32269 S117N-CA-H 114.978 60.461 7.694 24500 Y118N-CA-H 121.318 60.875 8.073 26486 F119N-CA-H 119.066 64.225 9.135 13283 D132N-CA-H 119.187 54.239 9.013 15868 N133N-CA-H 119.292 53.032 8.251 33440 R134N-CA-H 119.386 52.701 8.486 53978 L135N-R134CA-L135H 120.882 52.716 7.762 37311 L135N-CA-H 120.886 53.501 7.761 61268 L136N-L135CA-L136H 119.881 53.470 8.418 17976 L136N-CA-H 119.911 52.342 8.420 41540 E137N-L136CA-E137H 121.966 52.307 8.192 29016 E137N-CA-H 121.962 54.330 8.192 40978 C138N-E137CA-C138H 117.748 54.372 6.825 34041 C138N-CA-H 117.769 55.286 6.826 112252 Y139N-C138CA-Y139H 121.874 55.207 7.574 36534 Y139N-CA-H 121.874 55.702 7.574 30148 F140N-CA-H 120.497 54.676 7.608 51430 T141N-F140CA-T141H 109.844 54.750 7.564 11653 T141N-CA-H 109.892 60.444 7.570 37095 R142N-T141CA-R142H 120.903 60.441 8.553 22335 R142N-CA-H 120.904 59.282 8.552 31292 L149N-CA-H 116.637 54.383 7.393 14470 G150N-CA-H 106.819 45.205 7.799 31498 K151N-CA-H 120.301 54.105 8.158 41597 S152N-K151CA-S152H 117.291 54.108 8.398 18992 S152N-CA-H 117.271 57.892 8.397 41329 V153N-S152CA-V153H 119.941 57.877 8.496 9776 V153N-CA-H 119.845 60.963 8.501 18880 R154N-V153CA-R154H 123.069 61.060 8.976 13433 R154N-CA-H 123.032 53.422 8.971 33887 Y155N-CA-H 122.233 60.909 9.489 8271 T156N-CA-H 108.413 62.689 6.145 38369 D157N-CA-H 122.184 56.010 8.110 20612 E159N-M158CA-E159H 120.507 54.990 6.650 14397 E159N-CA-H 120.523 59.738 6.657 33663 S160N-CA-H 106.924 58.511 7.517 29831 E161N-CA-H 119.915 57.410 7.013 42436 Y163N-D162CA-Y163H 126.228 52.730 8.875 14557 Y163N-CA-H 126.267 61.927 8.876 21133 H164N-CA-H 116.645 59.070 8.593 36118 F165N-CA-H 122.543 60.137 7.898 13891 Y166N-CA-H 119.822 60.925 8.591 19892 G168N-CA-H 106.749 45.938 7.336 18367 L169N-CA-H 122.640 56.410 7.366 19851 V170N-L169CA-V170H 118.768 56.450 7.787 13112 V170N-CA-H 118.849 65.816 7.793 17235 Y171N-CA-H 118.085 61.166 7.590 21506 L172N-CA-H 118.264 56.413 7.391 19279 L173N-CA-H 115.202 56.418 7.779 25471 N175N-CA-H 117.369 51.295 7.094 45364 D176N-N175CA-D176H 117.826 51.304 8.119 41374 D176N-CA-H 117.850 52.815 8.117 55063 V177N-D176CA-V177H 127.162 52.872 9.346 18647 V177N-CA-H 127.187 64.161 9.350 33601 S178N-CA-H 118.322 60.316 9.113 34147 T179N-CA-H 111.194 61.152 7.885 38660 L180N-CA-H 121.120 56.367 7.177 51648 G181N-CA-H 103.799 44.124 8.153 53743 Y182N-CA-H 115.195 54.362 6.882 111183 D183N-Y182CA-D183H 118.791 54.353 8.468 39453 D183N-CA-H 118.802 52.872 8.468 98246 L184N-CA-H 124.448 53.082 8.962 70902 T185N-L184CA-T185H 109.779 53.144 7.949 17590 T185N-CA-H 109.771 58.559 7.950 62737 F186N-T185CA-F186H 121.780 58.612 8.124 20013 F186N-CA-H 121.807 57.131 8.127 25829 S187N-CA-H 117.195 57.166 9.059 46443 T188N-S187CA-T188H 114.462 57.100 8.744 15665 T188N-CA-H 114.448 60.653 8.745 37123 E189N-T188CA-E189H 125.674 60.654 8.170 28159 E189N-CA-H 125.705 55.788 8.172 57962 V190N-E189CA-V190H 124.081 55.812 8.920 22731 V190N-CA-H 124.095 60.210 8.916 46246 Q191N-V190CA-Q191H 126.024 60.189 8.473 30438 Q191N-CA-H 126.037 53.510 8.473 52027 E192N-Q191CA-E192H 125.699 53.496 8.236 33695 E192N-CA-H 125.711 54.369 8.237 55124 G194N-CA-H 103.594 44.656 8.492 33586 V195N-G194CA-V195H 121.590 44.670 7.603 15255 V195N-CA-H 121.580 60.837 7.604 65028 C196N-V195CA-C196H 126.860 60.851 8.761 16210 C196N-CA-H 126.870 57.978 8.757 39832 E197N-C196CA-E197H 125.626 58.010 8.759 25540 E197N-CA-H 125.622 53.967 8.759 76807 V198N-E197CA-V198H 123.238 54.009 8.562 34474 V198N-CA-H 123.125 61.988 8.555 62320 R199N-V198CA-R199H 128.234 61.990 8.957 15880 R199N-CA-H 128.222 53.728 8.957 41870 D200N-CA-H 123.543 54.247 8.571 45888 L201N-CA-H 118.605 54.301 8.868 22637 K202N-CA-H 112.994 52.937 7.835 35066 N204N-P203CA-N204H 119.597 63.866 9.087 26174 N204N-CA-H 119.606 53.545 9.088 27043 G205N-CA-H 104.801 48.408 8.251 20206 A206N-G205CA-A206H 120.717 48.294 8.127 13593 A206N-CA-H 120.808 53.314 8.139 24319 N207N-CA-H 111.342 51.712 7.949 17999 I208N-CA-H 123.505 60.424 7.859 24538 L209N-I208CA-L209H 126.318 60.319 7.956 21757 L209N-CA-H 126.289 53.936 7.956 51108 V210N-L209CA-V210H 124.171 53.934 8.297 23189 V210N-CA-H 124.165 61.830 8.300 42654 T211N-CA-H 120.580 58.594 9.664 30806 E212N-CA-H 118.528 58.376 9.007 36245 E213N-CA-H 115.011 57.874 7.941 28959 N214N-CA-H 114.509 51.653 7.368 16915 K215N-CA-H 117.715 59.268 7.728 22495 K216N-CA-H 120.748 59.900 8.465 19859 E217N-CA-H 122.771 58.156 7.634 22427 Y218N-CA-H 119.263 61.413 7.992 15578 V219N-CA-H 118.279 66.034 8.301 14940 H220N-CA-H 117.930 59.278 7.677 16982 L221N-CA-H 117.528 56.733 8.553 20947 V222N-CA-H 122.441 64.649 9.342 14280 C223N-CA-H 120.508 63.160 7.690 12889 G229N-CA-H 110.903 47.769 8.578 17488 I231N-CA-H 106.710 59.062 6.935 13589 R232N-CA-H 121.827 59.076 6.976 16917 Q234N-CA-H 123.494 59.820 9.737 13956 E244N-CA-H 116.245 57.592 7.203 38851 I245N-CA-H 115.337 60.716 7.069 13439 K248N-P247CA-K248H 126.184 62.158 8.354 21490 K248N-CA-H 126.184 59.086 8.353 27808 R249N-CA-H 115.043 57.405 8.713 26747 L250N-R249CA-L250H 117.434 57.394 7.426 15809 L250N-CA-H 117.361 55.499 7.427 44107 S252N-CA-H 110.652 59.772 7.809 35997 I253N-CA-H 114.869 62.150 6.886 23267 F254N-CA-H 121.070 58.269 7.363 26564 T255N-F254CA-T255H 109.322 58.363 8.945 12540 T255N-CA-H 109.293 60.134 8.941 22129 E256N-CA-H 119.642 60.122 10.390 30873 Q257N-CA-H 119.159 58.135 8.064 25284 E258N-CA-H 119.328 57.250 7.363 20123 E260N-CA-H 117.628 58.794 6.822 20092 L261N-CA-H 119.220 56.580 7.047 17229 S264N-CA-H 110.015 58.047 8.162 21463 G265N-CA-H 112.045 45.115 8.089 47495 L266N-G265CA-L266H 126.082 45.128 7.595 74429 L266N-CA-H 126.087 56.032 7.596 176962 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . N 15 N . aliased 27 ppm . . . . . . 52542 3 2 . . C 13 CA . 'not observed' 30 ppm . . . . . . 52542 3 3 . . H 1 HN . 'not observed' 12 ppm . . . . . . 52542 3 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 2 $software_2 . . 52542 3 3 $software_3 . . 52542 3 stop_ save_ save_spectral_peak_list_4 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_4 _Spectral_peak_list.Entry_ID 52542 _Spectral_peak_list.ID 4 _Spectral_peak_list.Name HN(CO)CA _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 4 _Spectral_peak_list.Experiment_name '3D HN(CO)CA' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 Data Height G67N-E66CA-G67H 110.163 55.689 8.597 190213 Q68N-G67CA-Q68H 119.476 45.214 8.053 170000 L266N-G265CA-L266H 126.086 45.126 7.593 134907 G98N-P97CA-G98H 108.700 62.843 7.974 121928 E66N-E65CA-E66H 122.188 54.315 8.679 100452 D69N-Q68CA-D69H 120.431 54.605 8.247 95102 R100N-D99CA-R100H 117.338 55.305 7.634 90165 K26N-R25CA-K26H 124.341 54.306 8.219 87339 R25N-L24CA-R25H 126.912 54.062 8.707 75407 ?-?-? 112.385 62.799 7.477 51171 L24N-G23CA-L24H 121.551 44.300 7.694 50691 C138N-E137CA-C138H 117.774 54.341 6.823 48532 D183N-Y182CA-D183H 118.804 54.372 8.466 46137 D5N-S4CA-D5H 121.749 58.359 8.533 42446 E197N-C196CA-E197H 125.610 57.939 8.757 41055 E65N-G64CA-E65H 119.387 44.934 7.844 41000 ?-?-? 112.365 62.800 6.861 40621 L135N-R134CA-L135H 120.898 52.671 7.759 39848 Y182N-G181CA-Y182H 115.196 44.143 6.878 38518 ?-?-? 111.386 63.098 6.676 37487 D176N-N175CA-D176H 117.837 51.303 8.115 34954 V198N-E197CA-V198H 123.150 53.974 8.552 33872 D28N-E27CA-D28H 119.890 53.291 8.250 33585 V101N-R100CA-V101H 124.732 53.698 8.316 32908 G3N-P2CA-G3H 109.553 62.657 8.620 32684 V195N-G194CA-V195H 121.560 44.661 7.601 32310 E189N-T188CA-E189H 125.681 60.636 8.171 30191 Q191N-V190CA-Q191H 126.034 60.201 8.470 29624 L184N-D183CA-L184H 124.469 52.884 8.955 29605 T95N-R94CA-T95H 114.120 53.074 8.475 28853 S4N-G3CA-S4H 116.446 44.472 8.365 28744 ?-?-? 111.398 63.115 7.397 26400 G181N-L180CA-G181H 103.840 56.331 8.151 26133 L180N-T179CA-L180H 121.091 61.206 7.176 26129 E192N-Q191CA-E192H 125.742 53.527 8.230 25948 E27N-K26CA-E27H 120.678 56.292 8.018 24767 V190N-E189CA-V190H 124.082 55.796 8.912 24663 M29N-D28CA-M29H 126.532 53.847 9.022 24079 T185N-L184CA-T185H 109.771 53.113 7.946 23827 S96N-T95CA-S96H 119.393 60.573 8.272 23690 ?-?-? 110.890 62.999 7.175 23380 E22N-D21CA-E22H 122.004 53.324 7.266 23201 ?-?-? 111.467 63.299 7.586 22432 L58N-R57CA-L58H 124.523 54.978 8.712 22056 D200N-R199CA-D200H 123.547 53.772 8.571 21645 D99N-G98CA-D99H 119.689 44.129 8.279 21351 T188N-S187CA-T188H 114.482 57.172 8.747 21250 ?-?-? 111.439 63.163 6.849 21201 E18N-L17CA-E18H 117.678 57.134 7.786 21019 L209N-I208CA-L209H 126.289 60.390 7.953 20880 G23N-E22CA-G23H 111.369 58.169 8.751 20825 F140N-Y139CA-F140H 120.495 55.706 7.608 20810 K151N-G150CA-K151H 120.262 45.176 8.157 20476 Y139N-C138CA-Y139H 121.874 55.243 7.576 20270 E137N-L136CA-E137H 121.974 52.319 8.191 20035 A30N-M29CA-A30H 129.877 53.949 8.393 19830 F62N-V61CA-F62H 127.168 60.160 8.593 19597 R199N-V198CA-R199H 128.221 62.058 8.961 19539 R134N-N133CA-R134H 119.409 52.978 8.482 19195 G71N-A70CA-G71H 107.793 54.402 8.644 19190 N175N-E174CA-N175H 117.366 55.977 7.091 18755 G194N-F193CA-G194H 103.617 55.779 8.490 18749 I60N-Y59CA-I60H 124.531 55.419 7.956 18737 V210N-L209CA-V210H 124.144 54.029 8.294 18273 ?-?-? 110.863 62.940 6.720 18253 N204N-P203CA-N204H 119.599 63.853 9.081 18133 S178N-V177CA-S178H 118.344 64.161 9.110 17879 L136N-L135CA-L136H 119.898 53.532 8.416 17649 G265N-S264CA-G265H 112.020 58.031 8.091 17399 R57N-N56CA-R57H 118.627 52.526 7.910 17345 Q257N-E256CA-Q257H 119.184 60.232 8.065 16954 D7N-F6CA-D7H 118.532 59.568 8.164 16907 A70N-D69CA-A70H 127.749 53.346 8.664 16831 C196N-V195CA-C196H 126.826 60.850 8.754 16801 S152N-K151CA-S152H 117.327 54.114 8.398 16729 I208N-N207CA-I208H 123.538 51.723 7.851 16716 L250N-R249CA-L250H 117.403 57.370 7.418 16635 G64N-E63CA-G64H 113.936 57.335 8.976 16605 E212N-T211CA-E212H 118.543 58.583 9.005 16444 D21N-L20CA-D21H 117.207 56.070 7.294 16365 E213N-E212CA-E213H 114.981 58.231 7.939 16237 T179N-S178CA-T179H 111.234 60.390 7.881 15460 V177N-D176CA-V177H 127.259 52.898 9.348 15301 E52N-P51CA-E52H 113.578 65.026 8.012 15241 T156N-Y155CA-T156H 108.391 60.870 6.144 15190 G72N-G71CA-G72H 111.547 46.244 8.248 15021 Y163N-D162CA-Y163H 126.256 52.745 8.873 15009 D162N-E161CA-D162H 118.643 57.411 8.440 14892 M89N-P88CA-M89H 118.158 63.977 8.518 14871 R19N-E18CA-R19H 120.537 58.347 7.762 14867 ?-?-? 120.058 47.822 7.966 14708 Q15N-R14CA-Q15H 119.650 57.421 7.958 14665 E63N-F62CA-E63H 125.334 55.627 8.790 14641 E244N-Y243CA-E244H 116.267 55.034 7.202 14626 F186N-T185CA-F186H 121.805 58.556 8.126 14544 L73N-G72CA-L73H 122.636 46.349 8.065 14361 N133N-D132CA-N133H 119.347 54.103 8.250 14270 K248N-P247CA-K248H 126.180 62.251 8.348 14181 E76N-R75CA-E76H 120.494 59.331 8.237 14044 A91N-Y90CA-A91H 113.659 57.140 7.397 13991 R154N-V153CA-R154H 123.007 61.069 8.978 13989 N214N-E213CA-N214H 114.509 57.817 7.361 13869 V8N-D7CA-V8H 120.055 57.160 7.739 13827 E159N-M158CA-E159H 120.527 55.107 6.655 13816 E161N-S160CA-E161H 119.932 58.493 7.013 13803 H164N-Y163CA-H164H 116.651 62.036 8.579 13736 R94N-F93CA-R94H 120.141 55.780 9.585 13656 R14N-F13CA-R14H 115.826 60.018 8.351 13640 S187N-F186CA-S187H 117.150 57.155 9.057 13445 L20N-R19CA-L20H 118.346 58.481 7.630 13302 D41N-E40CA-D41H 119.990 58.877 8.930 13187 L116N-H115CA-L116H 119.471 60.023 7.597 13143 T211N-V210CA-T211H 120.550 61.716 9.660 13119 S50N-K49CA-S50H 120.870 54.191 9.627 13049 S160N-E159CA-S160H 106.871 59.669 7.516 13047 H32N-V31CA-H32H 127.070 60.471 8.936 12893 K216N-K215CA-K216H 120.724 59.242 8.465 12855 T141N-F140CA-T141H 109.833 54.830 7.578 12854 ?-?-? 110.483 66.531 7.407 12830 V38N-H37CA-V38H 120.343 53.964 8.140 12787 E256N-T255CA-E256H 119.641 60.027 10.398 12763 G205N-N204CA-G205H 104.848 53.623 8.256 12757 S117N-L116CA-S117H 114.982 58.298 7.693 12651 R35N-R34CA-R35H 124.148 53.912 9.275 12647 E16N-Q15CA-E16H 120.256 58.136 8.302 12622 Y103N-T102CA-Y103H 118.373 58.981 8.314 12598 ?-?-? 108.779 62.812 8.017 12588 Y90N-M89CA-Y90H 116.205 57.325 6.999 12437 L221N-H220CA-L221H 117.457 59.279 8.546 12353 G150N-L149CA-G150H 106.852 54.405 7.793 12217 N106N-I105CA-N106H 125.404 62.388 8.638 12195 F6N-D5CA-F6H 120.947 55.123 8.372 12156 T104N-Y103CA-T104H 111.729 56.997 8.853 12095 K49N-R48CA-K49H 118.444 54.187 6.861 11951 E45N-R44CA-E45H 115.255 59.519 8.081 11929 N207N-A206CA-N207H 111.292 53.379 7.953 11828 R142N-T141CA-R142H 120.873 60.461 8.545 11799 ?-?-? 121.167 63.946 8.245 11759 D157N-T156CA-D157H 122.238 62.780 8.110 11691 L172N-Y171CA-L172H 118.196 60.999 7.385 11668 Y12N-K11CA-Y12H 121.410 59.022 7.762 11643 L46N-E45CA-L46H 112.831 57.597 8.041 11639 ?-?-? 110.442 66.586 6.596 11587 I80N-M79CA-I80H 119.606 58.374 8.601 11582 L92N-A91CA-L92H 115.585 52.472 7.717 11549 K55N-M54CA-K55H 117.351 52.701 7.074 11542 ?-?-? 112.409 67.984 7.006 11367 I253N-S252CA-I253H 114.891 59.697 6.880 11364 ?-?-? 126.438 69.873 8.304 11354 ?-?-? 131.176 41.693 7.789 11309 Y166N-F165CA-Y166H 119.790 60.276 8.595 11305 V33N-H32CA-V33H 113.462 55.079 8.335 11194 S252N-I251CA-S252H 110.680 58.811 7.801 11100 ?-?-? 108.313 61.159 8.857 11055 F39N-V38CA-F39H 124.409 67.709 9.530 11036 L74N-L73CA-L74H 120.258 56.890 7.871 10957 G168N-Q167CA-G168H 106.736 58.056 7.335 10874 S109N-S108CA-S109H 117.590 56.894 7.766 10866 R10N-K9CA-R10H 118.768 59.462 8.831 10854 L261N-E260CA-L261H 119.187 58.691 7.046 10797 A206N-G205CA-A206H 120.825 48.413 8.141 10763 K11N-R10CA-K11H 119.313 59.947 7.742 10746 R48N-H47CA-R48H 115.530 59.739 7.858 10720 N114N-P113CA-N114H 114.304 63.625 7.730 10616 E260N-L259CA-E260H 117.648 56.471 6.832 10616 E40N-F39CA-E40H 118.065 62.381 9.119 10494 V61N-I60CA-V61H 127.157 57.832 8.284 10473 ?-?-? 119.156 61.112 9.141 10437 F93N-L92CA-F93H 112.774 55.876 7.677 10327 K215N-N214CA-K215H 117.694 51.669 7.727 10260 H220N-V219CA-H220H 117.956 66.265 7.684 10231 E174N-L173CA-E174H 115.412 56.441 7.683 10181 N87N-F86CA-N87H 123.734 56.143 7.852 10092 M79N-Y78CA-M79H 119.278 62.352 7.949 10091 E217N-K216CA-E217H 122.803 59.917 7.630 10088 K9N-V8CA-K9H 120.981 65.628 7.956 10087 T255N-F254CA-T255H 109.371 58.106 8.937 10022 E53N-E52CA-E53H 120.677 60.037 7.795 9857 F86N-M85CA-F86H 113.852 57.610 6.383 9846 Y171N-V170CA-Y171H 117.972 65.711 7.575 9769 T102N-V101CA-T102H 117.578 63.219 7.326 9639 Q167N-Y166CA-Q167H 116.996 60.912 8.410 9632 S108N-P107CA-S108H 112.231 63.767 7.280 9572 L173N-L172CA-L173H 115.230 56.425 7.783 9557 D132N-Y131CA-D132H 119.222 62.295 9.020 9427 ?-?-? 118.707 57.896 7.764 9421 W77N-E76CA-W77H 120.772 59.303 8.968 9416 R232N-I231CA-R232H 121.821 58.938 6.964 9266 ?-?-? 121.410 59.763 7.941 9260 ?-?-? 113.006 57.215 8.053 9253 N56N-K55CA-N56H 115.570 56.412 7.175 9252 R75N-L74CA-R75H 117.297 57.328 7.803 9242 ?-?-? 116.040 60.889 7.714 9099 K202N-L201CA-K202H 113.023 54.281 7.844 9032 I105N-T104CA-I105H 124.513 57.889 8.168 8997 H115N-N114CA-H115H 119.200 51.975 8.490 8997 Y78N-W77CA-Y78H 117.042 62.745 8.663 8931 F165N-H164CA-F165H 122.536 59.105 7.897 8813 S264N-I263CA-S264H 109.984 63.781 8.160 8722 H37N-D36CA-H37H 119.139 53.385 7.942 8663 I263N-L262CA-I263H 114.374 56.490 7.683 8615 ?-?-? 120.874 57.512 8.240 8534 R44N-Y43CA-R44H 122.164 60.200 8.117 8238 E84N-R83CA-E84H 118.824 57.769 8.558 8036 Q234N-K233CA-Q234H 123.456 59.085 9.726 7992 M54N-E53CA-M54H 113.043 57.842 7.374 7963 Y155N-R154CA-Y155H 121.969 53.448 9.481 7855 R83N-S82CA-R83H 118.475 60.653 7.117 7842 D36N-R35CA-D36H 112.784 59.299 8.625 7759 I245N-E244CA-I245H 115.349 57.577 7.069 7746 C223N-V222CA-C223H 120.448 64.695 7.692 7549 V219N-Y218CA-V219H 118.328 61.437 8.281 7496 R249N-K248CA-R249H 114.941 59.126 8.720 7403 F254N-I253CA-F254H 121.088 62.065 7.370 7117 M85N-E84CA-M85H 114.643 57.934 7.698 6675 V222N-L221CA-V222H 122.448 56.823 9.325 6067 ?-?-? 122.523 62.063 9.490 5474 L169N-G168CA-L169H 122.623 45.874 7.375 2804 ?-?-? 118.776 54.092 8.136 -8967 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . N 15 N . aliased 27 ppm . . . . . . 52542 4 2 . . C 13 CA . 'not observed' 30 ppm . . . . . . 52542 4 3 . . H 1 HN . 'not observed' 12 ppm . . . . . . 52542 4 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 2 $software_2 . . 52542 4 3 $software_3 . . 52542 4 stop_ save_ save_spectral_peak_list_5 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_5 _Spectral_peak_list.Entry_ID 52542 _Spectral_peak_list.ID 5 _Spectral_peak_list.Name HNCACB _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 5 _Spectral_peak_list.Experiment_name '3D HNCACB' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 A91N-CB-H 113.650 17.011 7.392 N207N-A206CB-N207H 111.374 17.065 7.954 A206N-CB-H 120.825 17.137 8.132 A70N-CB-H 127.789 17.621 8.666 ?-?-? 107.559 17.970 8.961 ?-?-? 114.297 18.049 8.252 A30N-CB-H 129.924 18.372 8.395 ?-?-? 130.559 22.241 7.359 ?-?-? 120.090 23.206 8.228 ?-?-? 119.861 23.206 8.244 ?-?-? 120.145 23.252 8.258 ?-?-? 110.658 24.674 6.727 ?-?-? 110.524 24.696 6.745 ?-?-? 111.891 25.851 7.377 ?-?-? 111.826 26.060 7.358 ?-?-? 111.747 26.065 7.334 ?-?-? 118.414 26.066 6.808 H47N-CB-H 119.903 26.087 8.614 ?-?-? 111.794 26.125 7.440 E137N-CB-H 121.992 26.875 8.188 E197N-C196CB-E197H 125.609 26.892 8.760 C138N-E137CB-C138H 117.718 26.910 6.819 C196N-CB-H 126.868 26.934 8.763 R14N-CB-H 115.864 26.941 8.353 ?-?-? 123.877 27.023 10.277 Q167N-CB-H 116.969 27.187 8.398 Q257N-CB-H 119.218 27.195 8.060 ?-?-? 125.740 27.369 7.350 Q15N-CB-H 119.600 27.380 7.954 E159N-CB-H 120.533 27.417 6.649 Q234N-CB-H 123.482 27.449 9.723 E52N-CB-H 113.544 27.528 8.012 E260N-CB-H 117.628 27.783 6.827 R48N-CB-H 115.572 27.846 7.843 R249N-CB-H 114.997 27.872 8.706 ?-?-? 119.504 27.874 10.397 E18N-CB-H 117.637 27.886 7.786 H32N-CB-H 127.043 27.963 8.924 R25N-CB-H 126.928 27.965 8.706 K26N-R25CB-K26H 124.315 27.971 8.218 E217N-CB-H 122.765 27.991 7.628 E22N-CB-H 121.995 28.056 7.269 G23N-E22CB-G23H 111.303 28.176 8.755 Q191N-CB-H 126.010 28.266 8.470 E192N-Q191CB-E192H 125.719 28.276 8.230 R44N-CB-H 122.177 28.461 8.109 ?-?-? 120.342 28.509 8.207 R142N-CB-H 120.889 28.512 8.547 E258N-CB-H 119.274 28.547 7.369 R75N-CB-H 117.355 28.636 7.797 R10N-CB-H 118.729 28.667 8.834 H164N-CB-H 116.577 28.670 8.599 E16N-CB-H 120.286 28.675 8.306 E40N-CB-H 118.051 28.716 9.122 E213N-CB-H 115.000 28.745 7.940 H37N-CB-H 118.869 28.764 7.926 R19N-CB-H 120.572 28.829 7.766 G64N-E63CB-G64H 113.883 28.845 8.973 ?-?-? 112.315 28.962 6.865 E63N-CB-H 125.393 28.970 8.793 V222N-CB-H 122.413 29.027 9.327 ?-?-? 120.744 29.074 8.976 R35N-CB-H 124.162 29.096 9.271 D69N-Q68CB-D69H 120.377 29.096 8.243 E53N-CB-H 120.664 29.112 7.784 R57N-CB-H 118.677 29.120 7.913 ?-?-? 112.373 29.194 7.476 Q68N-CB-H 119.484 29.232 8.052 R83N-CB-H 118.380 29.299 7.120 ?-?-? 129.111 29.317 10.092 ?-?-? 122.563 29.386 9.320 Y139N-C138CB-Y139H 121.812 29.506 7.577 ?-?-? 118.460 29.636 7.109 E174N-CB-H 115.451 29.639 7.689 E212N-CB-H 118.456 29.646 9.008 E84N-CB-H 118.864 29.659 8.554 C138N-CB-H 117.779 29.678 6.826 V210N-CB-H 124.171 29.689 8.303 G67N-E66CB-G67H 110.101 29.691 8.597 E66N-CB-H 122.188 29.746 8.677 E244N-CB-H 116.212 29.766 7.201 E189N-CB-H 125.756 29.818 8.170 V190N-E189CB-V190H 124.063 29.864 8.916 R35N-R34CB-R35H 124.162 29.873 9.271 V101N-CB-H 124.720 29.882 8.313 ?-?-? 118.713 29.930 7.746 E65N-CB-H 119.343 29.954 7.848 N204N-P203CB-N204H 119.548 30.000 9.085 ?-?-? 117.821 30.059 7.679 K216N-CB-H 120.727 30.097 8.473 V198N-CB-H 123.114 30.129 8.552 R100N-CB-H 117.362 30.132 7.634 K55N-CB-H 117.383 30.132 7.081 ?-?-? 128.284 30.252 8.250 V170N-CB-H 118.841 30.321 7.776 V38N-CB-H 120.470 30.382 8.158 V177N-CB-H 127.242 30.383 9.348 S50N-K49CB-S50H 120.912 30.440 9.624 R134N-CB-H 119.414 30.504 8.483 H115N-CB-H 119.256 30.504 8.491 L135N-R134CB-L135H 120.873 30.513 7.760 E161N-CB-H 119.941 30.642 7.008 K215N-CB-H 117.725 30.653 7.709 R249N-K248CB-R249H 115.054 30.672 8.708 V8N-CB-H 119.981 30.690 7.748 K248N-CB-H 126.145 30.697 8.339 E192N-CB-H 125.736 30.780 8.233 K202N-CB-H 112.967 30.813 7.832 K49N-CB-H 118.416 30.822 6.864 M89N-CB-H 118.105 30.829 8.515 G98N-P97CB-G98H 108.643 31.031 7.974 M85N-CB-H 114.650 31.120 7.695 E45N-CB-H 115.170 31.125 8.087 N114N-P113CB-N114H 114.272 31.136 7.721 K11N-CB-H 119.253 31.139 7.741 G3N-P2CB-G3H 109.429 31.141 8.615 D200N-R199CB-D200H 123.499 31.495 8.568 K248N-P247CB-K248H 126.186 31.537 8.351 R199N-CB-H 128.244 31.614 8.956 F62N-V61CB-F62H 127.222 31.996 8.596 D28N-E27CB-D28H 119.904 32.019 8.250 H32N-V31CB-H32H 127.014 32.049 8.927 E27N-CB-H 120.702 32.242 8.019 R94N-CB-H 120.115 32.328 9.576 E197N-CB-H 125.613 32.348 8.754 V198N-E197CB-V198H 123.127 32.452 8.546 C196N-V195CB-C196H 126.816 32.480 8.750 T95N-R94CB-T95H 114.089 32.496 8.474 V195N-CB-H 121.587 32.527 7.604 R154N-CB-H 123.032 32.958 8.972 K9N-CB-H 120.996 32.992 7.930 K26N-CB-H 124.335 33.014 8.219 K151N-CB-H 120.291 33.069 8.153 S152N-K151CB-S152H 117.295 33.096 8.393 I60N-CB-H 124.540 34.374 7.955 V190N-CB-H 124.095 34.457 8.914 Q191N-V190CB-Q191H 126.014 34.528 8.468 V33N-CB-H 113.419 34.984 8.338 ?-?-? 120.640 35.156 7.840 A30N-M29CB-A30H 129.797 35.794 8.400 M29N-CB-H 126.555 35.836 9.020 F186N-CB-H 121.923 35.889 8.118 Y218N-CB-H 119.247 36.166 7.982 N133N-CB-H 119.297 36.279 8.249 I253N-CB-H 114.863 36.298 6.876 Y118N-CB-H 121.319 36.716 8.076 ?-?-? 119.736 36.730 8.596 ?-?-? 123.668 36.844 9.673 Y12N-CB-H 121.368 36.930 7.758 F86N-CB-H 113.824 36.964 6.388 Y90N-CB-H 116.254 37.161 6.990 Y171N-CB-H 118.064 37.345 7.587 ?-?-? 121.420 37.360 7.931 I105N-CB-H 124.474 37.552 8.146 I231N-CB-H 106.626 37.605 6.931 Y163N-CB-H 126.238 37.758 8.876 F62N-CB-H 127.250 37.780 8.590 N204N-CB-H 119.656 37.828 9.078 ?-?-? 119.662 37.841 8.601 E63N-F62CB-E63H 125.380 37.844 8.784 Y139N-CB-H 121.918 37.866 7.575 D183N-Y182CB-D183H 118.815 37.887 8.469 N106N-CB-H 125.397 37.958 8.645 Y182N-CB-H 115.181 37.991 6.881 I60N-Y59CB-I60H 124.536 38.080 7.959 L116N-CB-H 119.329 38.118 7.603 F6N-CB-H 120.982 38.134 8.359 N114N-CB-H 114.325 38.236 7.725 ?-?-? 114.821 38.288 7.693 N87N-CB-H 123.690 38.340 7.854 I208N-CB-H 123.461 38.535 7.850 F39N-CB-H 124.450 38.543 9.527 L209N-I208CB-L209H 126.231 38.639 7.956 F165N-CB-H 122.566 38.667 7.891 R57N-N56CB-R57H 118.681 38.714 7.906 N214N-CB-H 114.458 38.754 7.357 D41N-CB-H 119.948 38.790 8.930 N56N-CB-H 115.518 38.928 7.176 N207N-CB-H 111.250 38.974 7.952 ?-?-? 111.780 38.984 7.424 L169N-CB-H 122.614 39.147 7.368 D132N-CB-H 119.162 39.347 9.007 D157N-CB-H 122.241 39.540 8.102 F254N-CB-H 121.132 39.554 7.349 F13N-CB-H 120.229 39.574 8.964 D5N-CB-H 121.761 39.605 8.532 D7N-CB-H 118.492 39.647 8.174 R100N-D99CB-R100H 117.348 39.706 7.629 D99N-CB-H 119.716 39.706 8.292 ?-?-? 121.770 39.847 8.511 L58N-CB-H 124.517 39.950 8.715 D162N-CB-H 118.790 39.965 8.441 L261N-CB-H 119.250 40.105 7.045 L20N-CB-H 118.302 40.105 7.636 F140N-CB-H 120.521 40.135 7.606 ?-?-? 117.177 40.159 7.295 D28N-CB-H 119.924 40.173 8.250 T141N-F140CB-T141H 109.827 40.184 7.566 M29N-D28CB-M29H 126.620 40.227 9.022 L173N-CB-H 115.121 40.259 7.778 D200N-CB-H 123.553 40.399 8.569 L92N-CB-H 115.562 40.518 7.710 L74N-CB-H 120.261 40.525 7.868 L73N-CB-H 122.638 40.590 8.063 L172N-CB-H 118.221 40.590 7.386 A70N-D69CB-A70H 127.865 40.593 8.676 G181N-L180CB-G181H 103.778 40.599 8.147 ?-?-? 121.154 40.611 8.735 L180N-CB-H 121.100 40.631 7.175 D69N-CB-H 120.391 40.870 8.246 D176N-CB-H 117.816 40.964 8.116 R25N-L24CB-R25H 126.954 41.036 8.705 N175N-CB-H 117.339 41.045 7.091 ?-?-? 117.402 41.061 6.680 V177N-D176CB-V177H 127.229 41.063 9.350 L24N-CB-H 121.550 41.088 7.692 L250N-CB-H 117.373 41.169 7.421 D183N-CB-H 118.819 41.408 8.466 L184N-D183CB-L184H 124.449 41.440 8.960 Y103N-CB-H 118.255 41.472 8.320 V210N-L209CB-V210H 124.190 41.660 8.304 L209N-CB-H 126.346 41.674 7.953 L135N-CB-H 120.889 41.873 7.759 L136N-L135CB-L136H 119.895 41.932 8.423 ?-?-? 116.772 42.321 8.266 L266N-CB-H 126.132 42.328 7.592 L221N-CB-H 117.609 42.382 8.541 L184N-CB-H 124.465 43.274 8.957 L46N-CB-H 112.826 43.426 8.043 T185N-L184CB-T185H 109.737 43.476 7.949 L136N-CB-H 119.920 43.875 8.418 E137N-L136CB-E137H 121.922 43.885 8.183 F93N-CB-H 112.767 43.939 7.679 G181N-CA-H 103.781 44.103 8.148 G98N-CA-H 108.629 44.155 7.973 G23N-CA-H 111.314 44.323 8.756 G3N-CA-H 109.483 44.406 8.617 ?-?-? 108.811 44.611 8.780 G194N-CA-H 103.560 44.648 8.493 ?-?-? 120.308 44.784 9.780 G64N-CA-H 113.981 44.842 8.976 G265N-CA-H 112.007 45.128 8.083 L266N-G265CA-L266H 126.132 45.133 7.594 G150N-CA-H 106.738 45.174 7.799 G67N-CA-H 110.091 45.198 8.597 Q68N-G67CA-Q68H 119.496 45.295 8.054 G168N-CA-H 106.711 46.127 7.341 G72N-CA-H 111.545 46.184 8.245 G71N-CA-H 107.687 46.242 8.637 ?-?-? 111.015 47.651 8.580 ?-?-? 112.604 47.707 8.200 G205N-CA-H 104.715 48.357 8.246 ?-?-? 122.230 48.569 8.094 ?-?-? 120.263 51.751 8.445 ?-?-? 106.899 52.773 8.275 ?-?-? 117.236 54.643 8.158 ?-?-? 119.209 55.140 8.450 ?-?-? 115.134 56.256 7.916 ?-?-? 129.098 58.343 7.813 ?-?-? 111.703 59.302 7.326 ?-?-? 129.952 60.581 6.603 S108N-CB-H 112.166 61.190 7.289 ?-?-? 108.407 61.590 7.232 S117N-CB-H 114.895 61.897 7.695 S50N-CB-H 120.899 62.174 9.623 S178N-CB-H 118.285 62.380 9.113 S82N-CB-H 114.154 62.650 7.618 E161N-S160CB-E161H 119.896 62.677 7.014 S160N-CB-H 106.913 62.707 7.509 S252N-CB-H 110.570 62.759 7.799 S152N-CB-H 117.264 62.891 8.398 D5N-S4CB-D5H 121.752 62.899 8.531 V153N-S152CB-V153H 119.926 62.920 8.502 S4N-CB-H 116.378 63.213 8.356 S96N-CB-H 119.312 63.516 8.274 ?-?-? 123.734 63.997 7.408 ?-?-? 114.929 64.847 8.232 ?-?-? 127.230 64.897 8.768 S187N-CB-H 117.152 64.902 9.058 S264N-CB-H 109.995 65.482 8.153 ?-?-? 124.316 65.860 7.366 T156N-CB-H 108.394 66.616 6.138 ?-?-? 119.486 66.764 7.947 ?-?-? 124.089 68.210 6.623 ?-?-? 130.569 68.224 7.588 T179N-CB-H 111.171 69.166 7.880 S96N-T95CB-S96H 119.406 69.194 8.263 T95N-CB-H 114.105 69.250 8.473 T188N-CB-H 114.441 69.273 8.736 T141N-CB-H 109.857 69.294 7.566 T104N-CB-H 111.680 69.672 8.853 ?-?-? 116.998 69.693 8.112 T255N-CB-H 109.221 70.078 8.934 T102N-CB-H 117.646 71.545 7.333 T185N-CB-H 109.681 71.954 7.946 T211N-CB-H 120.570 72.262 9.661 E212N-T211CB-E212H 118.621 72.292 9.017 ?-?-? 110.851 73.407 7.350 ?-?-? 122.385 73.718 8.451 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . N 15 N . aliased 27 ppm . . . . . . 52542 5 2 . . C 13 CA|CB . 'not observed' 60 ppm . . . . . . 52542 5 3 . . H 1 HN . 'not observed' 12 ppm . . . . . . 52542 5 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 2 $software_2 . . 52542 5 3 $software_3 . . 52542 5 stop_ save_ save_spectral_peak_list_6 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_6 _Spectral_peak_list.Entry_ID 52542 _Spectral_peak_list.ID 6 _Spectral_peak_list.Name HN(CO)CACB _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 6 _Spectral_peak_list.Experiment_name '3D HN(CO)CACB' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 Data Height ?-?-? 111.942 11.896 8.603 -15762 ?-?-? 108.907 15.164 8.972 -15397 ?-?-? 123.113 15.736 7.372 15557 L92N-A91CB-L92H 115.599 16.854 7.713 11391 ?-?-? 124.575 16.958 8.259 15589 G71N-A70CB-G71H 107.829 17.488 8.632 15104 ?-?-? 115.780 19.064 7.474 -17230 ?-?-? 110.265 19.260 7.419 15249 ?-?-? 117.691 21.966 7.407 -15195 ?-?-? 119.883 23.666 7.456 -14852 ?-?-? 121.370 25.585 7.946 11789 R48N-H47CB-R48H 115.566 26.036 7.847 13330 ?-?-? 118.824 26.225 7.744 9181 C138N-E137CB-C138H 117.739 26.743 6.828 46139 E197N-C196CB-E197H 125.623 26.872 8.759 37354 ?-?-? 119.867 26.968 8.620 10610 ?-?-? 111.389 26.999 7.396 40131 ?-?-? 125.609 27.002 7.393 -18708 E258N-Q257CB-E258H 119.379 27.017 7.368 13591 ?-?-? 111.426 27.018 6.680 36695 ?-?-? 129.086 27.025 8.965 -15259 Q15N-R14CB-Q15H 119.540 27.036 7.947 9446 S160N-E159CB-S160H 106.879 27.149 7.514 11181 ?-?-? 111.333 27.235 6.850 29932 K55N-M54CB-K55H 117.530 27.378 7.093 11536 ?-?-? 111.482 27.436 7.588 18229 E16N-Q15CB-E16H 120.257 27.537 8.303 14662 E53N-E52CB-E53H 120.631 27.553 7.778 19262 R19N-E18CB-R19H 120.592 27.599 7.757 17818 L250N-R249CB-L250H 117.349 27.695 7.421 19075 K26N-R25CB-K26H 124.337 27.821 8.221 89366 K49N-R48CB-K49H 118.431 28.057 6.864 18010 Y218N-E217CB-Y218H 119.241 28.065 7.988 12905 ?-?-? 110.841 28.080 6.721 15583 V33N-H32CB-V33H 113.462 28.081 8.343 12596 E45N-R44CB-E45H 115.327 28.109 8.076 14318 ?-?-? 110.892 28.124 7.178 27972 G23N-E22CB-G23H 111.416 28.155 8.752 24258 E192N-Q191CB-E192H 125.780 28.160 8.233 39530 L261N-E260CB-L261H 119.184 28.180 7.051 11348 K11N-R10CB-K11H 119.260 28.679 7.733 12594 L20N-R19CB-L20H 118.456 28.771 7.636 12137 N214N-E213CB-N214H 114.348 28.836 7.369 12748 D41N-E40CB-D41H 120.002 28.863 8.942 15252 L58N-R57CB-L58H 124.526 28.973 8.715 24138 D36N-R35CB-D36H 112.838 29.005 8.617 13296 ?-?-? 113.926 29.055 8.973 16717 ?-?-? 112.366 29.074 7.480 56045 D69N-Q68CB-D69H 120.423 29.095 8.247 93605 ?-?-? 112.327 29.114 6.863 52528 M54N-E53CB-M54H 112.963 29.273 7.372 12852 E213N-E212CB-E213H 115.009 29.293 7.941 22335 ?-?-? 117.702 29.325 7.476 15209 E84N-R83CB-E84H 118.899 29.359 8.554 10411 Y139N-C138CB-Y139H 121.825 29.465 7.568 23983 G67N-E66CB-G67H 110.138 29.545 8.597 173626 N175N-E174CB-N175H 117.322 29.612 7.097 18663 I245N-E244CB-I245H 115.372 29.657 7.073 7071 ?-?-? 126.447 29.688 8.713 -9477 T211N-V210CB-T211H 120.550 29.726 9.655 9670 ?-?-? 109.781 29.807 7.454 15175 V190N-E189CB-V190H 124.103 29.822 8.915 28042 N204N-P203CB-N204H 119.634 29.849 9.088 22055 R35N-R34CB-R35H 124.138 29.881 9.272 11610 E66N-E65CB-E66H 122.180 29.894 8.678 108038 R199N-V198CB-R199H 128.198 29.899 8.951 18040 E217N-K216CB-E217H 122.771 29.912 7.629 11867 V101N-R100CB-V101H 124.732 30.064 8.315 31845 ?-?-? 122.636 30.139 7.620 11398 N56N-K55CB-N56H 115.516 30.166 7.179 17660 E52N-P51CB-E52H 113.570 30.169 8.015 17574 ?-?-? 115.985 30.222 7.701 10520 S178N-V177CB-S178H 118.338 30.335 9.104 22837 F39N-V38CB-F39H 124.318 30.373 9.519 13148 L135N-R134CB-L135H 120.901 30.405 7.760 40219 L116N-H115CB-L116H 119.430 30.411 7.591 20393 D162N-E161CB-D162H 118.618 30.489 8.440 16843 R249N-K248CB-R249H 115.080 30.519 8.711 9452 K216N-K215CB-K216H 120.725 30.547 8.469 11954 ?-?-? 120.718 30.594 9.626 10920 M89N-P88CB-M89H 118.121 30.621 8.515 18034 G3N-P2CB-G3H 109.573 30.789 8.618 33389 N114N-P113CB-N114H 114.418 30.829 7.736 13510 Y90N-M89CB-Y90H 116.279 30.862 7.007 11306 L46N-E45CB-L46H 112.819 30.872 8.049 13569 G98N-P97CB-G98H 108.680 30.984 7.974 125042 S108N-P107CB-S108H 112.135 30.986 7.304 17468 Y12N-K11CB-Y12H 121.504 31.078 7.769 9596 R154N-V153CB-R154H 123.037 31.321 8.978 15819 ?-?-? 123.694 31.428 8.147 11996 D200N-R199CB-D200H 123.559 31.453 8.570 25676 K248N-P247CB-K248H 126.237 31.600 8.348 18356 F62N-V61CB-F62H 127.186 31.780 8.598 14896 H32N-V31CB-H32H 127.046 32.053 8.930 22460 D28N-E27CB-D28H 119.909 32.111 8.251 46099 T95N-R94CB-T95H 114.120 32.244 8.474 30784 V198N-E197CB-V198H 123.118 32.274 8.554 41385 C196N-V195CB-C196H 126.887 32.475 8.748 17140 R10N-K9CB-R10H 118.754 32.688 8.822 15765 S152N-K151CB-S152H 117.283 32.718 8.394 19240 E27N-K26CB-E27H 120.704 32.815 8.021 30115 ?-?-? 125.402 33.753 6.822 16125 ?-?-? 119.673 34.319 8.587 12104 Q191N-V190CB-Q191H 126.052 34.404 8.472 32200 G194N-F193CB-G194H 103.666 34.906 8.481 15479 R44N-Y43CB-R44H 122.157 35.343 8.115 7404 ?-?-? 110.050 35.410 8.599 -15024 A30N-M29CB-A30H 129.882 35.586 8.399 23881 S187N-F186CB-S187H 117.230 35.977 9.058 13196 T156N-Y155CB-T156H 108.318 35.992 6.157 12768 E244N-Y243CB-E244H 116.245 36.038 7.213 10517 R134N-N133CB-R134H 119.256 36.166 8.497 14951 R134N-N133CB-R134H 119.406 36.354 8.485 20779 L172N-Y171CB-L172H 118.141 36.816 7.387 13939 N87N-F86CB-N87H 123.774 36.861 7.859 10625 A91N-Y90CB-A91H 113.606 36.962 7.402 10990 F13N-Y12CB-F13H 120.295 37.154 8.976 10131 S264N-I263CB-S264H 110.007 37.654 8.148 12634 E63N-F62CB-E63H 125.412 37.679 8.784 14171 F140N-Y139CB-F140H 120.500 37.693 7.610 24961 H164N-Y163CB-H164H 116.651 37.792 8.591 6779 ?-?-? 122.008 37.807 8.065 7442 S117N-L116CB-S117H 114.960 37.807 7.694 10770 G205N-N204CB-G205H 104.676 37.813 8.248 16310 I60N-Y59CB-I60H 124.564 37.815 7.960 24430 D183N-Y182CB-D183H 118.823 37.817 8.465 39159 D132N-Y131CB-D132H 119.158 37.845 9.013 12117 D7N-F6CB-D7H 118.559 37.922 8.167 15305 H115N-N114CB-H115H 119.196 38.118 8.496 9533 L209N-I208CB-L209H 126.292 38.309 7.948 21434 S252N-I251CB-S252H 110.686 38.358 7.807 17269 ?-?-? 122.013 38.368 8.076 10663 ?-?-? 116.484 38.433 8.600 9790 E40N-F39CB-E40H 118.090 38.604 9.122 11657 R57N-N56CB-R57H 118.679 38.799 7.915 17843 K215N-N214CB-K215H 117.711 38.859 7.728 11682 I208N-N207CB-I208H 123.514 38.912 7.851 17389 T255N-F254CB-T255H 109.421 39.344 8.938 9771 F6N-D5CB-F6H 120.965 39.387 8.363 12123 N133N-D132CB-N133H 119.265 39.494 8.248 19046 R14N-F13CB-R14H 115.795 39.511 8.351 13322 V8N-D7CB-V8H 120.019 39.594 7.747 11994 R100N-D99CB-R100H 117.339 39.797 7.635 86933 E22N-D21CB-E22H 122.033 39.934 7.277 22277 E260N-L259CB-E260H 117.572 39.976 6.822 11468 D21N-L20CB-D21H 117.215 40.037 7.290 19273 M29N-D28CB-M29H 126.505 40.039 9.022 26913 E18N-L17CB-E18H 117.693 40.089 7.789 19674 T141N-F140CB-T141H 109.921 40.135 7.569 14159 R75N-L74CB-R75H 117.499 40.428 7.801 17601 L74N-L73CB-L74H 120.292 40.439 7.870 14517 ?-?-? 120.097 40.488 7.965 19726 L173N-L172CB-L173H 115.229 40.489 7.783 12421 G181N-L180CB-G181H 103.795 40.590 8.152 29617 F93N-L92CB-F93H 112.829 40.705 7.681 13421 L201N-D200CB-L201H 118.583 40.735 8.880 15441 V177N-D176CB-V177H 127.226 40.907 9.350 16602 A70N-D69CB-A70H 127.789 40.923 8.684 16161 D176N-N175CB-D176H 117.845 40.992 8.116 34738 R25N-L24CB-R25H 126.901 41.030 8.705 86307 L184N-D183CB-L184H 124.454 41.300 8.960 36687 G150N-L149CB-G150H 106.768 41.537 7.800 18799 V210N-L209CB-V210H 124.169 41.642 8.300 23581 T104N-Y103CB-T104H 111.736 41.678 8.865 11584 K202N-L201CB-K202H 113.040 41.715 7.840 14636 L136N-L135CB-L136H 119.893 41.865 8.411 20815 T185N-L184CB-T185H 109.727 43.170 7.947 24485 E137N-L136CB-E137H 121.961 43.810 8.198 22615 ?-?-? 126.911 43.869 9.712 16624 R94N-F93CB-R94H 120.248 43.916 9.593 13797 Y182N-G181CA-Y182H 115.207 43.962 6.883 -45191 D99N-G98CA-D99H 119.714 44.073 8.287 -25582 L24N-G23CA-L24H 121.554 44.115 7.696 -60435 S4N-G3CA-S4H 116.426 44.404 8.364 -37033 V195N-G194CA-V195H 121.566 44.549 7.605 -41494 E65N-G64CA-E65H 119.394 44.836 7.849 -53368 K151N-G150CA-K151H 120.250 45.003 8.155 -26425 L266N-G265CA-L266H 126.089 45.011 7.594 -174950 Q68N-G67CA-Q68H 119.480 45.077 8.054 -200927 ?-?-? 130.963 45.626 7.606 14885 ?-?-? 129.030 45.754 7.685 -14939 L169N-G168CA-L169H 122.606 45.987 7.377 -13130 L73N-G72CA-L73H 122.630 46.055 8.069 -19521 G72N-G71CA-G72H 111.541 46.120 8.250 -31452 A206N-G205CA-A206H 120.910 48.286 8.142 -21168 ?-?-? 117.090 49.559 10.422 15142 ?-?-? 114.516 51.173 7.566 16168 G67N-E66CA-G67H 110.093 55.380 8.596 -20644 ?-?-? 122.005 56.820 8.098 -10628 ?-?-? 128.254 57.332 7.938 14994 F86N-M85CA-F86H 113.825 57.432 6.395 -11322 ?-?-? 127.961 61.265 7.313 -16217 Y118N-S117CB-Y118H 121.310 61.822 8.080 10811 ?-?-? 120.728 61.857 8.950 11960 T179N-S178CB-T179H 111.141 62.380 7.876 14410 R83N-S82CB-R83H 118.380 62.507 7.120 14156 I253N-S252CB-I253H 114.926 62.516 6.880 13987 E161N-S160CB-E161H 119.989 62.572 7.015 20607 G98N-P97CA-G98H 108.732 62.861 7.975 -20355 D5N-S4CB-D5H 121.774 63.062 8.533 38174 ?-?-? 111.768 63.091 7.555 -14761 V153N-S152CB-V153H 119.955 63.247 8.500 9656 ?-?-? 120.064 64.154 10.103 -15505 T188N-S187CB-T188H 114.363 65.040 8.743 12163 G265N-S264CB-G265H 112.091 65.321 8.085 21888 D157N-T156CB-D157H 122.203 66.376 8.096 12123 ?-?-? 108.261 67.227 9.547 -15152 ?-?-? 113.097 67.499 7.855 9371 ?-?-? 123.482 68.114 9.527 14772 L180N-T179CB-L180H 121.131 69.067 7.190 22066 S96N-T95CB-S96H 119.415 69.235 8.271 26727 R142N-T141CB-R142H 120.917 69.319 8.540 13047 E189N-T188CB-E189H 125.683 69.365 8.170 23397 I105N-T104CB-I105H 124.368 69.540 8.144 10678 E256N-T255CB-E256H 119.610 70.173 10.384 11328 Y103N-T102CB-Y103H 118.248 71.403 8.310 12177 ?-?-? 123.106 71.531 6.774 16372 F186N-T185CB-F186H 121.837 71.801 8.130 ?-?-? 111.505 75.501 7.620 15118 ?-?-? 110.875 76.993 8.258 15268 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . N 15 N . aliased 27 ppm . . . . . . 52542 6 2 . . C 13 CA|CB . 'not observed' 71.4 ppm . . . . . . 52542 6 3 . . H 1 HN . 'not observed' 12 ppm . . . . . . 52542 6 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 2 $software_2 . . 52542 6 3 $software_3 . . 52542 6 stop_ save_ save_spectral_peak_list_7 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_7 _Spectral_peak_list.Entry_ID 52542 _Spectral_peak_list.ID 7 _Spectral_peak_list.Name HNCO _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 7 _Spectral_peak_list.Experiment_name '3D HNCO' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 ?-?-? 122.137 177.943 8.114 ?-?-? 117.222 178.437 8.129 ?-?-? 118.713 178.857 7.749 ?-?-? 113.617 176.018 8.811 ?-?-? 114.110 177.732 7.305 ?-?-? 116.564 177.949 7.398 ?-?-? 121.404 174.344 7.933 ?-?-? 118.359 175.141 6.793 ?-?-? 123.955 173.817 7.374 ?-?-? 119.516 178.329 7.694 ?-?-? 116.065 178.495 7.724 ?-?-? 119.779 175.486 10.363 ?-?-? 119.472 170.864 8.231 ?-?-? 111.360 179.745 6.854 ?-?-? 111.329 180.562 6.844 ?-?-? 114.989 175.500 7.443 ?-?-? 114.946 175.462 7.425 ?-?-? 114.918 175.479 7.321 ?-?-? 112.327 180.356 7.476 ?-?-? 111.312 180.127 6.674 ?-?-? 111.418 180.138 7.395 ?-?-? 111.363 180.589 7.585 ?-?-? 112.288 180.343 6.858 G3N-P2C-G3H 109.517 177.340 8.622 S4N-G3C-S4H 116.417 174.541 8.362 D5N-S4C-D5H 121.704 174.851 8.532 F6N-D5C-F6H 120.965 177.688 8.364 D7N-F6C-D7H 118.550 176.449 8.167 V8N-D7C-V8H 120.011 178.971 7.742 K9N-V8C-K9H 120.963 179.137 7.934 R10N-K9C-R10H 118.765 178.514 8.829 K11N-R10C-K11H 119.239 177.991 7.744 Y12N-K11C-Y12H 121.384 178.929 7.759 F13N-Y12C-F13H 120.234 176.251 8.958 R14N-F13C-R14H 115.933 176.308 8.343 Q15N-R14C-Q15H 119.590 178.829 7.954 E16N-Q15C-E16H 120.217 179.194 8.303 E18N-L17C-E18H 117.634 179.441 7.785 R19N-E18C-R19H 120.517 179.956 7.762 L20N-R19C-L20H 118.336 179.620 7.631 D21N-L20C-D21H 117.187 177.958 7.293 E22N-D21C-E22H 121.958 176.682 7.268 G23N-E22C-G23H 111.357 177.382 8.751 L24N-G23C-L24H 121.544 174.212 7.692 R25N-L24C-R25H 126.917 176.776 8.703 K26N-R25C-K26H 124.325 175.001 8.217 E27N-K26C-E27H 120.673 175.949 8.016 D28N-E27C-D28H 119.932 174.744 8.248 M29N-D28C-M29H 126.522 175.470 9.017 A30N-M29C-A30H 129.873 172.750 8.394 H32N-V31C-H32H 127.028 173.496 8.927 V33N-H32C-V33H 113.403 174.376 8.333 R35N-R34C-R35H 124.170 178.338 9.273 D36N-R35C-D36H 112.813 176.367 8.622 H37N-D36C-H37H 118.965 175.765 7.937 V38N-H37C-V38H 120.364 174.786 8.142 F39N-V38C-F39H 124.399 179.324 9.533 E40N-F39C-E40H 118.122 175.954 9.117 D41N-E40C-D41H 119.951 179.755 8.933 E45N-R44C-E45H 115.182 178.760 8.080 L46N-E45C-L46H 112.834 178.500 8.040 H47N-L46C-H47H 119.820 180.695 8.622 R48N-H47C-R48H 115.559 175.239 7.848 K49N-R48C-K49H 118.411 177.230 6.860 S50N-K49C-S50H 120.868 176.883 9.632 E52N-P51C-E52H 113.551 177.629 8.012 E53N-E52C-E53H 120.689 180.427 7.783 M54N-E53C-M54H 113.034 178.564 7.373 K55N-M54C-K55H 117.365 176.211 7.078 N56N-K55C-N56H 115.504 175.821 7.169 R57N-N56C-R57H 118.617 174.515 7.914 L58N-R57C-L58H 124.498 175.801 8.714 Y59N-L58C-Y59H 124.976 175.995 8.216 I60N-Y59C-I60H 124.547 172.697 7.956 V61N-I60C-V61H 127.170 174.741 8.280 F62N-V61C-F62H 127.238 175.963 8.589 E63N-F62C-E63H 125.372 177.000 8.786 G64N-E63C-G64H 113.915 178.088 8.981 E65N-G64C-E65H 119.353 173.778 7.844 E66N-E65C-E66H 122.141 176.252 8.676 G67N-E66C-G67H 110.132 177.030 8.596 Q68N-G67C-Q68H 119.488 174.186 8.051 D69N-Q68C-D69H 120.413 175.197 8.244 A70N-D69C-A70H 127.725 176.100 8.661 G71N-A70C-G71H 107.742 180.548 8.636 G72N-G71C-G72H 111.557 177.039 8.246 L73N-G72C-L73H 122.617 176.851 8.061 L74N-L73C-L74H 120.249 178.584 7.868 R75N-L74C-R75H 117.297 178.613 7.797 E76N-R75C-E76H 120.400 179.224 8.233 W77N-E76C-W77H 120.675 177.891 8.968 Y78N-W77C-Y78H 116.964 177.012 8.659 M79N-Y78C-M79H 119.150 179.463 7.950 I80N-M79C-I80H 119.584 178.495 8.607 S82N-I81C-S82H 114.108 176.239 7.623 R83N-S82C-R83H 118.405 173.879 7.113 E84N-R83C-E84H 118.853 180.213 8.551 M85N-E84C-M85H 114.617 178.513 7.691 F86N-M85C-F86H 113.774 174.726 6.388 N87N-F86C-N87H 123.774 175.193 7.849 M89N-P88C-M89H 118.117 178.735 8.510 Y90N-M89C-Y90H 116.231 177.211 6.993 A91N-Y90C-A91H 113.618 175.617 7.394 L92N-A91C-L92H 115.604 175.488 7.713 F93N-L92C-F93H 112.771 177.721 7.675 R94N-F93C-R94H 120.190 175.037 9.584 T95N-R94C-T95H 114.135 174.448 8.474 S96N-T95C-S96H 119.349 174.743 8.271 G98N-P97C-G98H 108.641 176.354 7.971 D99N-G98C-D99H 119.690 172.994 8.279 R100N-D99C-R100H 117.349 176.127 7.631 V101N-R100C-V101H 124.696 175.241 8.313 T102N-V101C-T102H 117.505 174.966 7.324 Y103N-T102C-Y103H 118.300 173.061 8.309 T104N-Y103C-T104H 111.768 175.422 8.855 I105N-T104C-I105H 124.404 174.078 8.145 N106N-I105C-N106H 125.369 175.093 8.643 S108N-P107C-S108H 112.192 177.876 7.289 S109N-S108C-S109H 117.599 174.513 7.746 N114N-P113C-N114H 114.303 178.124 7.723 H115N-N114C-H115H 119.223 176.960 8.498 L116N-H115C-L116H 119.367 175.492 7.593 S117N-L116C-S117H 114.932 179.615 7.689 Y118N-S117C-Y118H 121.294 178.706 8.064 F119N-Y118C-F119H 119.068 178.531 9.130 D132N-Y131C-D132H 119.110 177.108 9.011 N133N-D132C-N133H 119.270 175.986 8.245 R134N-N133C-R134H 119.336 173.997 8.481 L135N-R134C-L135H 120.862 174.123 7.756 L136N-L135C-L136H 119.894 177.005 8.416 E137N-L136C-E137H 121.931 176.842 8.187 C138N-E137C-C138H 117.734 174.612 6.823 Y139N-C138C-Y139H 121.856 171.425 7.572 F140N-Y139C-F140H 120.467 174.317 7.604 T141N-F140C-T141H 109.867 175.258 7.569 R142N-T141C-R142H 120.913 174.461 8.546 G150N-L149C-G150H 106.710 176.487 7.791 K151N-G150C-K151H 120.275 174.857 8.154 S152N-K151C-S152H 117.342 175.652 8.394 V153N-S152C-V153H 119.812 174.735 8.492 R154N-V153C-R154H 123.010 175.472 8.973 Y155N-R154C-Y155H 122.237 179.347 9.493 T156N-Y155C-T156H 108.396 176.667 6.141 D157N-T156C-D157H 122.218 177.946 8.102 E159N-M158C-E159H 120.513 176.342 6.653 S160N-E159C-S160H 106.893 176.006 7.512 E161N-S160C-E161H 119.930 175.266 7.011 D162N-E161C-D162H 118.651 176.113 8.438 Y163N-D162C-Y163H 126.268 174.431 8.871 H164N-Y163C-H164H 116.669 177.263 8.582 F165N-H164C-F165H 122.548 178.380 7.887 Y166N-F165C-Y166H 119.752 178.591 8.589 Q167N-Y166C-Q167H 116.969 176.173 8.405 G168N-Q167C-G168H 106.736 179.240 7.330 L169N-G168C-L169H 122.604 176.381 7.365 V170N-L169C-V170H 118.802 178.120 7.783 Y171N-V170C-Y171H 117.937 177.719 7.585 L172N-Y171C-L172H 118.212 178.398 7.381 L173N-L172C-L173H 115.211 177.103 7.776 E174N-L173C-E174H 115.449 179.332 7.689 N175N-E174C-N175H 117.330 175.478 7.092 D176N-N175C-D176H 117.837 171.819 8.113 V177N-D176C-V177H 127.226 179.635 9.348 S178N-V177C-S178H 118.329 177.877 9.113 T179N-S178C-T179H 111.164 175.976 7.883 L180N-T179C-L180H 121.106 175.606 7.173 G181N-L180C-G181H 103.823 177.974 8.148 Y182N-G181C-Y182H 115.159 172.784 6.877 D183N-Y182C-D183H 118.805 172.722 8.464 L184N-D183C-L184H 124.438 175.227 8.956 T185N-L184C-T185H 109.716 175.463 7.946 F186N-T185C-F186H 121.806 175.459 8.123 S187N-F186C-S187H 117.163 175.535 9.056 T188N-S187C-T188H 114.413 171.973 8.742 E189N-T188C-E189H 125.698 171.049 8.168 V190N-E189C-V190H 124.065 175.843 8.911 Q191N-V190C-Q191H 126.053 173.943 8.469 E192N-Q191C-E192H 125.734 174.006 8.230 G194N-F193C-G194H 103.627 175.584 8.489 V195N-G194C-V195H 121.565 173.653 7.599 C196N-V195C-C196H 126.830 175.068 8.753 E197N-C196C-E197H 125.615 173.989 8.754 V198N-E197C-V198H 123.102 174.245 8.551 R199N-V198C-R199H 128.198 175.737 8.953 D200N-R199C-D200H 123.535 175.427 8.566 L201N-D200C-L201H 118.556 177.390 8.864 K202N-L201C-K202H 112.955 175.974 7.835 N204N-P203C-N204H 119.566 176.961 9.083 G205N-N204C-G205H 104.757 177.840 8.247 A206N-G205C-A206H 120.795 175.245 8.134 N207N-A206C-N207H 111.326 177.098 7.944 I208N-N207C-I208H 123.461 174.404 7.851 L209N-I208C-L209H 126.286 174.475 7.951 V210N-L209C-V210H 124.190 178.082 8.293 T211N-V210C-T211H 120.575 175.703 9.663 E212N-T211C-E212H 118.463 174.827 8.999 E213N-E212C-E213H 115.002 178.471 7.937 N214N-E213C-N214H 114.379 177.752 7.363 K215N-N214C-K215H 117.651 179.316 7.724 K216N-K215C-K216H 120.728 177.495 8.467 E217N-K216C-E217H 122.754 179.003 7.627 Y218N-E217C-Y218H 119.206 178.227 7.982 V219N-Y218C-V219H 118.258 175.760 8.295 H220N-V219C-H220H 117.879 177.269 7.677 L221N-H220C-L221H 117.478 178.506 8.552 V222N-L221C-V222H 122.471 180.652 9.330 C223N-V222C-C223H 120.462 177.322 7.680 G229N-T228C-G229H 110.824 175.738 8.564 I231N-A230C-I231H 106.644 178.040 6.929 R232N-I231C-R232H 121.836 175.196 6.965 Q234N-K233C-Q234H 123.474 179.470 9.721 E244N-Y243C-E244H 116.253 178.495 7.198 I245N-E244C-I245H 115.317 176.998 7.067 K248N-P247C-K248H 126.184 177.627 8.351 R249N-K248C-R249H 115.043 178.963 8.709 L250N-R249C-L250H 117.379 176.767 7.422 S252N-I251C-S252H 110.650 175.521 7.803 I253N-S252C-I253H 114.869 174.026 6.877 F254N-I253C-F254H 121.030 176.363 7.362 T255N-F254C-T255H 109.280 175.219 8.933 E256N-T255C-E256H 119.660 175.545 10.386 Q257N-E256C-Q257H 119.161 178.022 8.063 E258N-Q257C-E258H 119.313 178.680 7.364 E260N-L259C-E260H 117.602 177.132 6.818 L261N-E260C-L261H 119.149 178.319 7.042 I263N-L262C-I263H 114.392 177.085 7.678 S264N-I263C-S264H 109.968 175.936 8.159 G265N-S264C-G265H 112.028 175.957 8.082 L266N-G265C-L266H 126.086 172.329 7.591 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . N 15 N . 'not observed' 29.7 ppm . . . . . . 52542 7 2 . . C 13 CO . 'not observed' 15.8 ppm . . . . . . 52542 7 3 . . H 1 HN . 'not observed' 12 ppm . . . . . . 52542 7 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 2 $software_2 . . 52542 7 3 $software_3 . . 52542 7 stop_ save_ save_spectral_peak_list_8 _Spectral_peak_list.Sf_category spectral_peak_list _Spectral_peak_list.Sf_framecode spectral_peak_list_8 _Spectral_peak_list.Entry_ID 52542 _Spectral_peak_list.ID 8 _Spectral_peak_list.Name HN(CA)CO _Spectral_peak_list.Sample_ID 1 _Spectral_peak_list.Sample_label $sample_1 _Spectral_peak_list.Sample_condition_list_ID 1 _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 _Spectral_peak_list.Chem_shift_reference_ID 1 _Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1 _Spectral_peak_list.Experiment_ID 8 _Spectral_peak_list.Experiment_name '3D HN(CA)CO' _Spectral_peak_list.Experiment_class . _Spectral_peak_list.Experiment_type . _Spectral_peak_list.Number_of_spectral_dimensions 3 _Spectral_peak_list.Chemical_shift_list . _Spectral_peak_list.Assigned_chem_shift_list_ID 1 _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 _Spectral_peak_list.Details . _Spectral_peak_list.Text_data_format text _Spectral_peak_list.Text_data ; Assignment w1 w2 w3 ?-?-? 114.751 171.970 7.388 ?-?-? 118.961 178.509 8.543 ?-?-? 118.604 166.848 9.241 ?-?-? 129.882 169.109 8.138 ?-?-? 118.797 176.086 7.397 ?-?-? 118.349 179.684 7.205 ?-?-? 127.753 176.086 7.385 ?-?-? 127.532 181.974 7.502 ?-?-? 113.864 168.726 9.018 ?-?-? 109.373 177.377 8.623 ?-?-? 115.135 169.095 9.901 ?-?-? 118.342 168.850 7.954 ?-?-? 106.625 171.421 8.246 ?-?-? 109.337 172.626 8.623 ?-?-? 119.633 172.952 8.316 ?-?-? 120.324 176.019 8.288 ?-?-? 120.238 179.237 8.303 ?-?-? 106.818 174.731 8.268 ?-?-? 106.590 175.786 6.886 ?-?-? 118.816 174.574 7.902 ?-?-? 107.858 167.850 7.964 ?-?-? 124.953 175.980 8.211 ?-?-? 112.949 172.645 7.390 ?-?-? 108.723 173.207 8.206 ?-?-? 115.590 175.458 7.703 ?-?-? 119.763 177.956 10.376 ?-?-? 125.615 166.851 8.866 ?-?-? 120.698 171.987 7.618 ?-?-? 125.395 167.470 8.103 ?-?-? 124.570 177.608 8.022 ?-?-? 112.599 180.378 8.360 ?-?-? 117.216 175.725 8.407 ?-?-? 111.444 167.732 7.788 ?-?-? 124.322 176.440 8.211 ?-?-? 108.957 169.855 8.864 ?-?-? 120.701 179.109 8.129 ?-?-? 119.850 171.580 8.581 ?-?-? 124.600 172.708 7.945 ?-?-? 118.627 180.382 7.795 ?-?-? 118.447 174.349 6.801 ?-?-? 110.456 176.223 8.164 ?-?-? 123.740 172.460 7.993 ?-?-? 126.049 179.687 9.544 ?-?-? 109.823 179.082 8.061 ?-?-? 121.770 176.761 8.169 ?-?-? 121.987 176.748 8.187 ?-?-? 119.562 177.982 7.693 ?-?-? 121.135 176.449 8.374 ?-?-? 110.234 171.094 7.430 ?-?-? 121.125 181.333 8.819 ?-?-? 121.436 174.337 7.929 ?-?-? 120.489 179.248 7.789 ?-?-? 121.905 174.315 7.580 ?-?-? 121.323 174.586 8.233 ?-?-? 120.501 180.436 7.780 ?-?-? 121.572 168.350 7.407 ?-?-? 121.522 175.120 7.406 ?-?-? 118.559 180.718 7.454 G3N-C-H 109.604 174.578 8.616 D5N-C-H 121.737 177.698 8.532 D7N-C-H 118.560 179.000 8.178 V8N-D7C-V8H 120.035 178.975 7.748 K9N-C-H 121.099 178.484 7.936 K9N-C-H 120.989 178.536 7.933 R10N-C-H 118.772 178.004 8.827 K11N-C-H 119.254 178.950 7.742 F13N-Y12C-F13H 120.265 176.242 8.953 R14N-C-H 115.838 178.762 8.345 Q15N-C-H 119.606 179.187 7.956 E18N-C-H 117.678 179.938 7.781 R19N-C-H 120.613 179.623 7.752 L20N-R19C-L20H 118.369 179.585 7.634 L20N-C-H 118.368 177.953 7.632 D21N-L20C-D21H 117.233 177.976 7.292 D21N-C-H 117.186 176.676 7.292 E22N-C-H 121.966 177.372 7.269 L24N-C-H 121.548 176.770 7.693 R25N-L24C-R25H 126.906 176.793 8.706 R25N-C-H 126.909 174.997 8.707 K26N-R25C-K26H 124.329 174.999 8.218 K26N-C-H 124.344 175.951 8.218 E27N-C-H 120.689 174.725 8.016 D28N-E27C-D28H 119.898 174.732 8.251 D28N-C-H 119.913 175.453 8.250 M29N-D28C-M29H 126.502 175.473 9.022 M29N-C-H 126.516 172.758 9.021 A30N-M29C-A30H 129.882 172.754 8.395 A30N-C-H 129.896 177.391 8.395 H32N-V31C-H32H 126.952 173.479 8.914 H32N-C-H 127.000 174.338 8.927 V33N-C-H 113.466 174.249 8.337 R35N-R34C-R35H 124.189 178.316 9.270 R35N-C-H 124.114 176.350 9.272 D36N-C-H 112.797 175.773 8.610 H37N-C-H 118.965 174.804 7.937 F39N-C-H 124.401 175.952 9.540 E40N-C-H 118.124 179.699 9.119 D41N-C-H 119.976 178.361 8.934 E45N-C-H 115.214 178.494 8.083 H47N-C-H 119.818 175.224 8.618 R48N-C-H 115.595 177.260 7.844 K49N-C-H 118.433 176.857 6.861 S50N-C-H 120.952 175.135 9.628 E52N-C-H 113.592 180.441 8.011 E53N-C-H 120.665 178.552 7.781 M54N-C-H 113.002 176.228 7.362 K55N-C-H 117.339 175.830 7.080 N56N-C-H 115.606 174.549 7.175 R57N-N56C-R57H 118.680 174.490 7.915 R57N-C-H 118.616 175.752 7.915 L58N-C-H 124.561 175.974 8.718 Y59N-C-H 124.992 172.665 8.200 I60N-C-H 124.550 174.715 7.954 V61N-C-H 127.151 175.989 8.275 F62N-C-H 127.296 177.001 8.587 E63N-C-H 125.411 178.039 8.789 G64N-E63C-G64H 113.897 178.064 8.968 G64N-C-H 113.871 173.807 8.981 E65N-C-H 119.395 176.256 7.846 E66N-E65C-E66H 122.164 176.250 8.678 E66N-C-H 122.186 177.016 8.679 G67N-E66C-G67H 110.164 177.040 8.597 G67N-C-H 110.167 174.168 8.597 Q68N-G67C-Q68H 119.488 174.197 8.051 Q68N-C-H 119.475 175.187 8.052 D69N-Q68C-D69H 120.442 175.201 8.247 D69N-C-H 120.433 176.089 8.246 A70N-D69C-A70H 127.763 176.071 8.664 A70N-C-H 127.728 180.575 8.661 G71N-A70C-G71H 107.794 180.504 8.628 G71N-C-H 107.792 176.999 8.639 G72N-C-H 111.559 176.877 8.247 L73N-C-H 122.577 178.571 8.071 L74N-C-H 120.283 178.599 7.865 R75N-C-H 117.302 179.262 7.803 E76N-C-H 120.464 177.853 8.237 M79N-C-H 119.301 178.402 7.947 R83N-C-H 118.498 180.226 7.104 E84N-C-H 118.832 178.454 8.562 M85N-C-H 114.569 174.712 7.701 N87N-C-H 123.724 176.218 7.863 M89N-C-H 118.137 177.201 8.512 Y90N-C-H 116.231 175.605 6.992 A91N-C-H 113.650 175.488 7.395 L92N-C-H 115.593 177.735 7.717 F93N-C-H 112.809 175.078 7.678 R94N-C-H 120.175 174.472 9.584 T95N-R94C-T95H 114.136 174.537 8.478 T95N-C-H 114.130 174.725 8.476 G98N-P97C-G98H 108.716 176.348 7.973 G98N-C-H 108.698 172.989 7.972 D99N-C-H 119.702 176.115 8.283 R100N-D99C-R100H 117.328 176.107 7.634 R100N-C-H 117.346 175.235 7.631 V101N-C-H 124.741 175.005 8.319 T102N-C-H 117.604 173.074 7.337 Y103N-C-H 118.346 175.370 8.311 T104N-C-H 111.717 174.091 8.864 I105N-T104C-I105H 124.592 174.064 8.140 I105N-C-H 124.387 174.995 8.138 N114N-C-H 114.282 176.940 7.728 H115N-C-H 119.209 175.516 8.499 L116N-C-H 119.426 179.687 7.597 Y118N-C-H 121.310 178.519 8.071 D132N-C-H 119.162 175.997 9.017 N133N-C-H 119.377 173.982 8.246 R134N-C-H 119.377 174.101 8.482 L135N-R134C-L135H 120.895 174.088 7.760 L135N-C-H 120.884 176.994 7.756 L136N-C-H 119.926 176.874 8.418 E137N-C-H 121.985 174.631 8.190 C138N-E137C-C138H 117.745 174.607 6.821 C138N-C-H 117.770 171.395 6.821 Y139N-C138C-Y139H 121.818 171.442 7.567 F140N-C-H 120.439 175.230 7.602 T141N-C-H 109.848 174.401 7.564 R142N-C-H 120.893 179.337 8.556 G150N-C-H 106.780 174.958 7.788 K151N-C-H 120.219 175.684 8.157 V153N-C-H 119.869 175.458 8.498 R154N-C-H 123.014 179.342 8.981 T156N-C-H 108.413 177.979 6.137 D157N-C-H 122.248 178.844 8.106 E159N-C-H 120.516 175.998 6.653 E161N-C-H 119.865 176.103 7.010 D162N-E161C-D162H 118.755 176.173 8.443 D162N-C-H 118.732 174.379 8.446 Y163N-C-H 126.196 177.193 8.884 H164N-C-H 116.642 178.334 8.593 Q167N-C-H 117.033 179.267 8.404 L169N-G168C-L169H 122.588 176.358 7.362 L169N-C-H 122.639 178.115 7.356 L172N-Y171C-L172H 118.185 178.478 7.377 L172N-C-H 118.167 176.997 7.405 L173N-C-H 115.130 179.337 7.782 E174N-L173C-E174H 115.514 179.338 7.686 E174N-C-H 115.478 175.503 7.678 N175N-C-H 117.350 171.836 7.090 D176N-N175C-D176H 117.807 171.819 8.116 D176N-C-H 117.840 179.603 8.117 V177N-D176C-V177H 127.118 179.631 9.348 V177N-C-H 127.171 177.862 9.354 T179N-C-H 111.174 175.595 7.884 L180N-C-H 121.097 177.963 7.173 G181N-L180C-G181H 103.779 177.990 8.149 G181N-C-H 103.777 172.787 8.150 Y182N-C-H 115.179 172.725 6.875 D183N-Y182C-D183H 118.804 172.727 8.465 D183N-C-H 118.821 175.227 8.467 L184N-C-H 124.491 175.442 8.959 T185N-C-H 109.748 175.453 7.943 F186N-C-H 121.817 175.526 8.126 S187N-C-H 117.229 171.992 9.055 T188N-C-H 114.463 171.020 8.745 E189N-C-H 125.740 175.846 8.168 V190N-E189C-V190H 124.119 175.812 8.909 V190N-C-H 124.124 173.932 8.912 Q191N-C-H 126.031 173.993 8.471 E192N-Q191C-E192H 125.690 173.991 8.240 E192N-C-H 125.703 175.807 8.234 G194N-F193C-G194H 103.602 175.485 8.488 G194N-C-H 103.661 173.670 8.486 V195N-C-H 121.564 175.045 7.602 C196N-C-H 126.853 173.972 8.759 E197N-C-H 125.623 174.208 8.757 V198N-E197C-V198H 123.117 174.235 8.551 V198N-C-H 123.117 175.724 8.552 R199N-V198C-R199H 128.207 175.719 8.960 R199N-C-H 128.211 175.445 8.952 D200N-R199C-D200H 123.676 175.401 8.573 D200N-C-H 123.526 177.417 8.573 K202N-C-H 113.045 171.568 7.836 N204N-C-H 119.583 177.812 9.082 G205N-C-H 104.707 175.285 8.246 A206N-C-H 120.765 177.074 8.139 N207N-C-H 111.352 174.373 7.943 I208N-C-H 123.499 174.435 7.855 L209N-I208C-L209H 126.283 174.498 7.954 L209N-C-H 126.260 178.094 7.953 V210N-C-H 124.160 175.713 8.299 T211N-C-H 120.637 174.814 9.670 E212N-C-H 118.474 178.477 9.003 E213N-E212C-E213H 114.934 178.508 7.934 E213N-C-H 115.040 177.711 7.937 K215N-C-H 117.706 177.454 7.720 K216N-C-H 120.743 179.011 8.471 E217N-C-H 122.782 178.211 7.630 Q234N-C-H 123.460 177.099 9.728 E244N-C-H 116.254 176.986 7.195 I245N-C-H 115.371 174.152 7.073 K248N-P247C-K248H 126.208 177.626 8.351 K248N-C-H 126.184 179.001 8.353 R249N-C-H 114.985 176.802 8.718 L250N-C-H 117.367 176.859 7.424 I253N-C-H 114.879 176.357 6.876 F254N-C-H 121.036 175.216 7.357 T255N-C-H 109.242 175.426 8.932 Q257N-C-H 119.223 178.724 8.067 E258N-C-H 119.407 177.366 7.352 E260N-C-H 117.744 178.296 6.815 L261N-C-H 119.215 179.462 7.055 I263N-C-H 114.314 175.948 7.670 S264N-C-H 110.009 175.976 8.156 G265N-C-H 112.029 172.338 8.085 L266N-G265C-L266H 126.103 172.317 7.594 L266N-C-H 126.086 182.099 7.594 ; loop_ _Spectral_dim.ID _Spectral_dim.Axis_code _Spectral_dim.Spectrometer_frequency _Spectral_dim.Atom_type _Spectral_dim.Atom_isotope_number _Spectral_dim.Spectral_region _Spectral_dim.Magnetization_linkage_ID _Spectral_dim.Under_sampling_type _Spectral_dim.Sweep_width _Spectral_dim.Sweep_width_units _Spectral_dim.Value_first_point _Spectral_dim.Absolute_peak_positions _Spectral_dim.Acquisition _Spectral_dim.Center_frequency_offset _Spectral_dim.Encoding_code _Spectral_dim.Encoded_reduced_dimension_ID _Spectral_dim.Entry_ID _Spectral_dim.Spectral_peak_list_ID 1 . . N 15 N . aliased 27 ppm . . . . . . 52542 8 2 . . C 13 CO . 'not observed' 15.9 ppm . . . . . . 52542 8 3 . . H 1 H . 'not observed' 12 ppm . . . . . . 52542 8 stop_ loop_ _Spectral_peak_software.Software_ID _Spectral_peak_software.Software_label _Spectral_peak_software.Method_ID _Spectral_peak_software.Method_label _Spectral_peak_software.Entry_ID _Spectral_peak_software.Spectral_peak_list_ID 2 $software_2 . . 52542 8 3 $software_3 . . 52542 8 stop_ save_