data_27614 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27614 _Entry.Title ; NMR resonance assignments of the TPR domain of human AIPL1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-09-16 _Entry.Accession_date 2018-09-16 _Entry.Last_release_date 2018-09-17 _Entry.Original_release_date 2018-09-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _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 Liping Yu . . . . 27614 2 Ravi Yadav . P. . . 27614 3 Nikolai Artemyev . O. . . 27614 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27614 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 404 27614 '15N chemical shifts' 129 27614 '1H chemical shifts' 257 27614 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 . . 2019-09-17 . original BMRB . 27614 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27614 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s12104-018-9856-x _Citation.PubMed_ID 30341566 _Citation.Full_citation . _Citation.Title ; NMR resonance assignments of the TPR domain of human aryl hydrocarbon receptor-interacting protein-like 1 (AIPL1) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 13 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 79 _Citation.Page_last 83 _Citation.Year 2019 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Liping Yu . . . . 27614 1 2 Ravi Yadav . . . . 27614 1 3 Nikolai Artemyev . . . . 27614 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27614 _Assembly.ID 1 _Assembly.Name AIPL1-TPR _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 AIPL1-TPR 1 $AIPL1-TPR A . yes native no no . . . 27614 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AIPL1-TPR _Entity.Sf_category entity _Entity.Sf_framecode AIPL1-TPR _Entity.Entry_ID 27614 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AIPL1-TPR _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 ; MGHHHHHHGNHEKMKAVPVL HGEGNRLFKLGRYEEASSKY QEAIICLRNLQTKEKPWEVQ WLKLEKMINTLILNYCQCLL KKEEYYEVLEHTSDILRHHP GIVKAYYVRARAHAEVWNEA EAKADLQKVLELEPSMQKAV RRELRLLENRMAEKQ ; _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 155 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 1 162 MET . 27614 1 2 163 GLY . 27614 1 3 164 HIS . 27614 1 4 165 HIS . 27614 1 5 166 HIS . 27614 1 6 167 HIS . 27614 1 7 168 HIS . 27614 1 8 169 HIS . 27614 1 9 170 GLY . 27614 1 10 171 ASN . 27614 1 11 172 HIS . 27614 1 12 173 GLU . 27614 1 13 174 LYS . 27614 1 14 175 MET . 27614 1 15 176 LYS . 27614 1 16 177 ALA . 27614 1 17 178 VAL . 27614 1 18 179 PRO . 27614 1 19 180 VAL . 27614 1 20 181 LEU . 27614 1 21 182 HIS . 27614 1 22 183 GLY . 27614 1 23 184 GLU . 27614 1 24 185 GLY . 27614 1 25 186 ASN . 27614 1 26 187 ARG . 27614 1 27 188 LEU . 27614 1 28 189 PHE . 27614 1 29 190 LYS . 27614 1 30 191 LEU . 27614 1 31 192 GLY . 27614 1 32 193 ARG . 27614 1 33 194 TYR . 27614 1 34 195 GLU . 27614 1 35 196 GLU . 27614 1 36 197 ALA . 27614 1 37 198 SER . 27614 1 38 199 SER . 27614 1 39 200 LYS . 27614 1 40 201 TYR . 27614 1 41 202 GLN . 27614 1 42 203 GLU . 27614 1 43 204 ALA . 27614 1 44 205 ILE . 27614 1 45 206 ILE . 27614 1 46 207 CYS . 27614 1 47 208 LEU . 27614 1 48 209 ARG . 27614 1 49 210 ASN . 27614 1 50 211 LEU . 27614 1 51 212 GLN . 27614 1 52 213 THR . 27614 1 53 214 LYS . 27614 1 54 215 GLU . 27614 1 55 216 LYS . 27614 1 56 217 PRO . 27614 1 57 218 TRP . 27614 1 58 219 GLU . 27614 1 59 220 VAL . 27614 1 60 221 GLN . 27614 1 61 222 TRP . 27614 1 62 223 LEU . 27614 1 63 224 LYS . 27614 1 64 225 LEU . 27614 1 65 226 GLU . 27614 1 66 227 LYS . 27614 1 67 228 MET . 27614 1 68 229 ILE . 27614 1 69 230 ASN . 27614 1 70 231 THR . 27614 1 71 232 LEU . 27614 1 72 233 ILE . 27614 1 73 234 LEU . 27614 1 74 235 ASN . 27614 1 75 236 TYR . 27614 1 76 237 CYS . 27614 1 77 238 GLN . 27614 1 78 239 CYS . 27614 1 79 240 LEU . 27614 1 80 241 LEU . 27614 1 81 242 LYS . 27614 1 82 243 LYS . 27614 1 83 244 GLU . 27614 1 84 245 GLU . 27614 1 85 246 TYR . 27614 1 86 247 TYR . 27614 1 87 248 GLU . 27614 1 88 249 VAL . 27614 1 89 250 LEU . 27614 1 90 251 GLU . 27614 1 91 252 HIS . 27614 1 92 253 THR . 27614 1 93 254 SER . 27614 1 94 255 ASP . 27614 1 95 256 ILE . 27614 1 96 257 LEU . 27614 1 97 258 ARG . 27614 1 98 259 HIS . 27614 1 99 260 HIS . 27614 1 100 261 PRO . 27614 1 101 262 GLY . 27614 1 102 263 ILE . 27614 1 103 264 VAL . 27614 1 104 265 LYS . 27614 1 105 266 ALA . 27614 1 106 267 TYR . 27614 1 107 268 TYR . 27614 1 108 269 VAL . 27614 1 109 270 ARG . 27614 1 110 271 ALA . 27614 1 111 272 ARG . 27614 1 112 273 ALA . 27614 1 113 274 HIS . 27614 1 114 275 ALA . 27614 1 115 276 GLU . 27614 1 116 277 VAL . 27614 1 117 278 TRP . 27614 1 118 279 ASN . 27614 1 119 280 GLU . 27614 1 120 281 ALA . 27614 1 121 282 GLU . 27614 1 122 283 ALA . 27614 1 123 284 LYS . 27614 1 124 285 ALA . 27614 1 125 286 ASP . 27614 1 126 287 LEU . 27614 1 127 288 GLN . 27614 1 128 289 LYS . 27614 1 129 290 VAL . 27614 1 130 291 LEU . 27614 1 131 292 GLU . 27614 1 132 293 LEU . 27614 1 133 294 GLU . 27614 1 134 295 PRO . 27614 1 135 296 SER . 27614 1 136 297 MET . 27614 1 137 298 GLN . 27614 1 138 299 LYS . 27614 1 139 300 ALA . 27614 1 140 301 VAL . 27614 1 141 302 ARG . 27614 1 142 303 ARG . 27614 1 143 304 GLU . 27614 1 144 305 LEU . 27614 1 145 306 ARG . 27614 1 146 307 LEU . 27614 1 147 308 LEU . 27614 1 148 309 GLU . 27614 1 149 310 ASN . 27614 1 150 311 ARG . 27614 1 151 312 MET . 27614 1 152 313 ALA . 27614 1 153 314 GLU . 27614 1 154 315 LYS . 27614 1 155 316 GLN . 27614 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 . MET 1 1 27614 1 . GLY 2 2 27614 1 . HIS 3 3 27614 1 . HIS 4 4 27614 1 . HIS 5 5 27614 1 . HIS 6 6 27614 1 . HIS 7 7 27614 1 . HIS 8 8 27614 1 . GLY 9 9 27614 1 . ASN 10 10 27614 1 . HIS 11 11 27614 1 . GLU 12 12 27614 1 . LYS 13 13 27614 1 . MET 14 14 27614 1 . LYS 15 15 27614 1 . ALA 16 16 27614 1 . VAL 17 17 27614 1 . PRO 18 18 27614 1 . VAL 19 19 27614 1 . LEU 20 20 27614 1 . HIS 21 21 27614 1 . GLY 22 22 27614 1 . GLU 23 23 27614 1 . GLY 24 24 27614 1 . ASN 25 25 27614 1 . ARG 26 26 27614 1 . LEU 27 27 27614 1 . PHE 28 28 27614 1 . LYS 29 29 27614 1 . LEU 30 30 27614 1 . GLY 31 31 27614 1 . ARG 32 32 27614 1 . TYR 33 33 27614 1 . GLU 34 34 27614 1 . GLU 35 35 27614 1 . ALA 36 36 27614 1 . SER 37 37 27614 1 . SER 38 38 27614 1 . LYS 39 39 27614 1 . TYR 40 40 27614 1 . GLN 41 41 27614 1 . GLU 42 42 27614 1 . ALA 43 43 27614 1 . ILE 44 44 27614 1 . ILE 45 45 27614 1 . CYS 46 46 27614 1 . LEU 47 47 27614 1 . ARG 48 48 27614 1 . ASN 49 49 27614 1 . LEU 50 50 27614 1 . GLN 51 51 27614 1 . THR 52 52 27614 1 . LYS 53 53 27614 1 . GLU 54 54 27614 1 . LYS 55 55 27614 1 . PRO 56 56 27614 1 . TRP 57 57 27614 1 . GLU 58 58 27614 1 . VAL 59 59 27614 1 . GLN 60 60 27614 1 . TRP 61 61 27614 1 . LEU 62 62 27614 1 . LYS 63 63 27614 1 . LEU 64 64 27614 1 . GLU 65 65 27614 1 . LYS 66 66 27614 1 . MET 67 67 27614 1 . ILE 68 68 27614 1 . ASN 69 69 27614 1 . THR 70 70 27614 1 . LEU 71 71 27614 1 . ILE 72 72 27614 1 . LEU 73 73 27614 1 . ASN 74 74 27614 1 . TYR 75 75 27614 1 . CYS 76 76 27614 1 . GLN 77 77 27614 1 . CYS 78 78 27614 1 . LEU 79 79 27614 1 . LEU 80 80 27614 1 . LYS 81 81 27614 1 . LYS 82 82 27614 1 . GLU 83 83 27614 1 . GLU 84 84 27614 1 . TYR 85 85 27614 1 . TYR 86 86 27614 1 . GLU 87 87 27614 1 . VAL 88 88 27614 1 . LEU 89 89 27614 1 . GLU 90 90 27614 1 . HIS 91 91 27614 1 . THR 92 92 27614 1 . SER 93 93 27614 1 . ASP 94 94 27614 1 . ILE 95 95 27614 1 . LEU 96 96 27614 1 . ARG 97 97 27614 1 . HIS 98 98 27614 1 . HIS 99 99 27614 1 . PRO 100 100 27614 1 . GLY 101 101 27614 1 . ILE 102 102 27614 1 . VAL 103 103 27614 1 . LYS 104 104 27614 1 . ALA 105 105 27614 1 . TYR 106 106 27614 1 . TYR 107 107 27614 1 . VAL 108 108 27614 1 . ARG 109 109 27614 1 . ALA 110 110 27614 1 . ARG 111 111 27614 1 . ALA 112 112 27614 1 . HIS 113 113 27614 1 . ALA 114 114 27614 1 . GLU 115 115 27614 1 . VAL 116 116 27614 1 . TRP 117 117 27614 1 . ASN 118 118 27614 1 . GLU 119 119 27614 1 . ALA 120 120 27614 1 . GLU 121 121 27614 1 . ALA 122 122 27614 1 . LYS 123 123 27614 1 . ALA 124 124 27614 1 . ASP 125 125 27614 1 . LEU 126 126 27614 1 . GLN 127 127 27614 1 . LYS 128 128 27614 1 . VAL 129 129 27614 1 . LEU 130 130 27614 1 . GLU 131 131 27614 1 . LEU 132 132 27614 1 . GLU 133 133 27614 1 . PRO 134 134 27614 1 . SER 135 135 27614 1 . MET 136 136 27614 1 . GLN 137 137 27614 1 . LYS 138 138 27614 1 . ALA 139 139 27614 1 . VAL 140 140 27614 1 . ARG 141 141 27614 1 . ARG 142 142 27614 1 . GLU 143 143 27614 1 . LEU 144 144 27614 1 . ARG 145 145 27614 1 . LEU 146 146 27614 1 . LEU 147 147 27614 1 . GLU 148 148 27614 1 . ASN 149 149 27614 1 . ARG 150 150 27614 1 . MET 151 151 27614 1 . ALA 152 152 27614 1 . GLU 153 153 27614 1 . LYS 154 154 27614 1 . GLN 155 155 27614 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27614 _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 $AIPL1-TPR . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27614 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27614 _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 $AIPL1-TPR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET15b . . . 27614 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27614 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 AIPL1-TPR '[U-100% 13C; U-100% 15N]' . . 1 $AIPL1-TPR . . 0.5 . . mM . . . . 27614 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27614 1 3 'sodium chloride' 'natural abundance' . . . . . . 700 . . mM . . . . 27614 1 4 DTT 'natural abundance' . . . . . . 6.0 . . mM . . . . 27614 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 27614 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 1.62 . M 27614 1 pH 7.5 . pH 27614 1 pressure 1 . atm 27614 1 temperature 273 . K 27614 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 27614 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 27614 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27614 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27614 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27614 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 27614 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27614 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27614 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27614 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27614 1 4 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27614 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27614 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27614 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27614 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27614 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27614 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27614 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27614 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 . . . . . 27614 1 H 1 water protons . . . . ppm 4.66 internal direct 1.0 . . . . . 27614 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27614 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27614 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '3D HNCACB' . . . 27614 1 4 '3D HN(CO)CACB' . . . 27614 1 5 '3D HNCO' . . . 27614 1 6 '3D HN(CA)CO' . . . 27614 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 14 14 MET HA H 1 4.3530 0.10 . 1 . . . . . 175 MET HA . 27614 1 2 . 1 1 14 14 MET C C 13 177.6330 0.20 . 1 . . . . . 175 MET C . 27614 1 3 . 1 1 14 14 MET CA C 13 56.6380 0.20 . 1 . . . . . 175 MET CA . 27614 1 4 . 1 1 14 14 MET CB C 13 32.6400 0.20 . 1 . . . . . 175 MET CB . 27614 1 5 . 1 1 15 15 LYS H H 1 7.8930 0.10 . 1 . . . . . 176 LYS H . 27614 1 6 . 1 1 15 15 LYS HA H 1 4.1460 0.10 . 1 . . . . . 176 LYS HA . 27614 1 7 . 1 1 15 15 LYS C C 13 176.9760 0.20 . 1 . . . . . 176 LYS C . 27614 1 8 . 1 1 15 15 LYS CA C 13 57.9540 0.20 . 1 . . . . . 176 LYS CA . 27614 1 9 . 1 1 15 15 LYS CB C 13 32.5720 0.20 . 1 . . . . . 176 LYS CB . 27614 1 10 . 1 1 15 15 LYS N N 15 119.1500 0.20 . 1 . . . . . 176 LYS N . 27614 1 11 . 1 1 16 16 ALA H H 1 7.8210 0.10 . 1 . . . . . 177 ALA H . 27614 1 12 . 1 1 16 16 ALA HA H 1 4.3630 0.10 . 1 . . . . . 177 ALA HA . 27614 1 13 . 1 1 16 16 ALA C C 13 179.1320 0.20 . 1 . . . . . 177 ALA C . 27614 1 14 . 1 1 16 16 ALA CA C 13 53.4270 0.20 . 1 . . . . . 177 ALA CA . 27614 1 15 . 1 1 16 16 ALA CB C 13 19.4310 0.20 . 1 . . . . . 177 ALA CB . 27614 1 16 . 1 1 16 16 ALA N N 15 120.7150 0.20 . 1 . . . . . 177 ALA N . 27614 1 17 . 1 1 17 17 VAL H H 1 8.0410 0.10 . 1 . . . . . 178 VAL H . 27614 1 18 . 1 1 17 17 VAL N N 15 118.5740 0.20 . 1 . . . . . 178 VAL N . 27614 1 19 . 1 1 18 18 PRO HA H 1 4.5330 0.10 . 1 . . . . . 179 PRO HA . 27614 1 20 . 1 1 18 18 PRO C C 13 179.9070 0.20 . 1 . . . . . 179 PRO C . 27614 1 21 . 1 1 18 18 PRO CA C 13 65.5840 0.20 . 1 . . . . . 179 PRO CA . 27614 1 22 . 1 1 18 18 PRO CB C 13 31.6150 0.20 . 1 . . . . . 179 PRO CB . 27614 1 23 . 1 1 19 19 VAL H H 1 6.9900 0.10 . 1 . . . . . 180 VAL H . 27614 1 24 . 1 1 19 19 VAL HA H 1 3.8560 0.10 . 1 . . . . . 180 VAL HA . 27614 1 25 . 1 1 19 19 VAL C C 13 178.6120 0.20 . 1 . . . . . 180 VAL C . 27614 1 26 . 1 1 19 19 VAL CA C 13 65.7310 0.20 . 1 . . . . . 180 VAL CA . 27614 1 27 . 1 1 19 19 VAL CB C 13 31.6190 0.20 . 1 . . . . . 180 VAL CB . 27614 1 28 . 1 1 19 19 VAL N N 15 118.7520 0.20 . 1 . . . . . 180 VAL N . 27614 1 29 . 1 1 20 20 LEU H H 1 8.1970 0.10 . 1 . . . . . 181 LEU H . 27614 1 30 . 1 1 20 20 LEU HA H 1 3.7220 0.10 . 1 . . . . . 181 LEU HA . 27614 1 31 . 1 1 20 20 LEU CA C 13 58.1670 0.20 . 1 . . . . . 181 LEU CA . 27614 1 32 . 1 1 20 20 LEU CB C 13 41.3870 0.20 . 1 . . . . . 181 LEU CB . 27614 1 33 . 1 1 20 20 LEU N N 15 122.2930 0.20 . 1 . . . . . 181 LEU N . 27614 1 34 . 1 1 21 21 HIS HA H 1 4.2680 0.10 . 1 . . . . . 182 HIS HA . 27614 1 35 . 1 1 21 21 HIS C C 13 177.7140 0.20 . 1 . . . . . 182 HIS C . 27614 1 36 . 1 1 21 21 HIS CA C 13 58.7220 0.20 . 1 . . . . . 182 HIS CA . 27614 1 37 . 1 1 21 21 HIS CB C 13 32.3730 0.20 . 1 . . . . . 182 HIS CB . 27614 1 38 . 1 1 22 22 GLY H H 1 8.2730 0.10 . 1 . . . . . 183 GLY H . 27614 1 39 . 1 1 22 22 GLY HA2 H 1 3.8200 0.10 . 1 . . . . . 183 GLY HA1 . 27614 1 40 . 1 1 22 22 GLY HA3 H 1 4.0710 0.10 . 1 . . . . . 183 GLY HA2 . 27614 1 41 . 1 1 22 22 GLY C C 13 176.9630 0.20 . 1 . . . . . 183 GLY C . 27614 1 42 . 1 1 22 22 GLY CA C 13 47.3940 0.20 . 1 . . . . . 183 GLY CA . 27614 1 43 . 1 1 22 22 GLY N N 15 105.8290 0.20 . 1 . . . . . 183 GLY N . 27614 1 44 . 1 1 23 23 GLU H H 1 8.5290 0.10 . 1 . . . . . 184 GLU H . 27614 1 45 . 1 1 23 23 GLU HA H 1 4.4330 0.10 . 1 . . . . . 184 GLU HA . 27614 1 46 . 1 1 23 23 GLU C C 13 179.2880 0.20 . 1 . . . . . 184 GLU C . 27614 1 47 . 1 1 23 23 GLU CA C 13 58.8310 0.20 . 1 . . . . . 184 GLU CA . 27614 1 48 . 1 1 23 23 GLU CB C 13 29.6400 0.20 . 1 . . . . . 184 GLU CB . 27614 1 49 . 1 1 23 23 GLU N N 15 123.6710 0.20 . 1 . . . . . 184 GLU N . 27614 1 50 . 1 1 24 24 GLY H H 1 8.7210 0.10 . 1 . . . . . 185 GLY H . 27614 1 51 . 1 1 24 24 GLY HA2 H 1 3.0730 0.10 . 1 . . . . . 185 GLY HA1 . 27614 1 52 . 1 1 24 24 GLY HA3 H 1 3.3350 0.10 . 1 . . . . . 185 GLY HA2 . 27614 1 53 . 1 1 24 24 GLY C C 13 174.5550 0.20 . 1 . . . . . 185 GLY C . 27614 1 54 . 1 1 24 24 GLY CA C 13 47.8920 0.20 . 1 . . . . . 185 GLY CA . 27614 1 55 . 1 1 24 24 GLY N N 15 107.6330 0.20 . 1 . . . . . 185 GLY N . 27614 1 56 . 1 1 25 25 ASN H H 1 8.4480 0.10 . 1 . . . . . 186 ASN H . 27614 1 57 . 1 1 25 25 ASN C C 13 177.8400 0.20 . 1 . . . . . 186 ASN C . 27614 1 58 . 1 1 25 25 ASN CA C 13 55.8130 0.20 . 1 . . . . . 186 ASN CA . 27614 1 59 . 1 1 25 25 ASN CB C 13 37.4550 0.20 . 1 . . . . . 186 ASN CB . 27614 1 60 . 1 1 25 25 ASN N N 15 119.5180 0.20 . 1 . . . . . 186 ASN N . 27614 1 61 . 1 1 26 26 ARG H H 1 8.2610 0.10 . 1 . . . . . 187 ARG H . 27614 1 62 . 1 1 26 26 ARG HA H 1 4.0500 0.10 . 1 . . . . . 187 ARG HA . 27614 1 63 . 1 1 26 26 ARG C C 13 178.9400 0.20 . 1 . . . . . 187 ARG C . 27614 1 64 . 1 1 26 26 ARG CA C 13 59.9360 0.20 . 1 . . . . . 187 ARG CA . 27614 1 65 . 1 1 26 26 ARG CB C 13 30.6590 0.20 . 1 . . . . . 187 ARG CB . 27614 1 66 . 1 1 26 26 ARG N N 15 122.9220 0.20 . 1 . . . . . 187 ARG N . 27614 1 67 . 1 1 27 27 LEU H H 1 8.3630 0.10 . 1 . . . . . 188 LEU H . 27614 1 68 . 1 1 27 27 LEU HA H 1 3.9160 0.10 . 1 . . . . . 188 LEU HA . 27614 1 69 . 1 1 27 27 LEU C C 13 178.7810 0.20 . 1 . . . . . 188 LEU C . 27614 1 70 . 1 1 27 27 LEU CA C 13 58.0170 0.20 . 1 . . . . . 188 LEU CA . 27614 1 71 . 1 1 27 27 LEU CB C 13 41.5670 0.20 . 1 . . . . . 188 LEU CB . 27614 1 72 . 1 1 27 27 LEU N N 15 119.2580 0.20 . 1 . . . . . 188 LEU N . 27614 1 73 . 1 1 28 28 PHE H H 1 9.0380 0.10 . 1 . . . . . 189 PHE H . 27614 1 74 . 1 1 28 28 PHE HA H 1 3.7240 0.10 . 1 . . . . . 189 PHE HA . 27614 1 75 . 1 1 28 28 PHE C C 13 179.5490 0.20 . 1 . . . . . 189 PHE C . 27614 1 76 . 1 1 28 28 PHE CA C 13 62.5400 0.20 . 1 . . . . . 189 PHE CA . 27614 1 77 . 1 1 28 28 PHE CB C 13 40.0290 0.20 . 1 . . . . . 189 PHE CB . 27614 1 78 . 1 1 28 28 PHE N N 15 122.2050 0.20 . 1 . . . . . 189 PHE N . 27614 1 79 . 1 1 29 29 LYS H H 1 8.1860 0.10 . 1 . . . . . 190 LYS H . 27614 1 80 . 1 1 29 29 LYS HA H 1 4.0840 0.10 . 1 . . . . . 190 LYS HA . 27614 1 81 . 1 1 29 29 LYS C C 13 178.1120 0.20 . 1 . . . . . 190 LYS C . 27614 1 82 . 1 1 29 29 LYS CA C 13 59.4560 0.20 . 1 . . . . . 190 LYS CA . 27614 1 83 . 1 1 29 29 LYS CB C 13 32.2820 0.20 . 1 . . . . . 190 LYS CB . 27614 1 84 . 1 1 29 29 LYS N N 15 121.0680 0.20 . 1 . . . . . 190 LYS N . 27614 1 85 . 1 1 30 30 LEU H H 1 7.3440 0.10 . 1 . . . . . 191 LEU H . 27614 1 86 . 1 1 30 30 LEU HA H 1 4.3100 0.10 . 1 . . . . . 191 LEU HA . 27614 1 87 . 1 1 30 30 LEU C C 13 177.1210 0.20 . 1 . . . . . 191 LEU C . 27614 1 88 . 1 1 30 30 LEU CA C 13 55.1630 0.20 . 1 . . . . . 191 LEU CA . 27614 1 89 . 1 1 30 30 LEU CB C 13 43.2030 0.20 . 1 . . . . . 191 LEU CB . 27614 1 90 . 1 1 30 30 LEU N N 15 117.1060 0.20 . 1 . . . . . 191 LEU N . 27614 1 91 . 1 1 31 31 GLY H H 1 7.6900 0.10 . 1 . . . . . 192 GLY H . 27614 1 92 . 1 1 31 31 GLY HA2 H 1 2.8910 0.10 . 1 . . . . . 192 GLY HA1 . 27614 1 93 . 1 1 31 31 GLY HA3 H 1 3.8460 0.10 . 1 . . . . . 192 GLY HA2 . 27614 1 94 . 1 1 31 31 GLY C C 13 174.1170 0.20 . 1 . . . . . 192 GLY C . 27614 1 95 . 1 1 31 31 GLY CA C 13 44.6370 0.20 . 1 . . . . . 192 GLY CA . 27614 1 96 . 1 1 31 31 GLY N N 15 107.7560 0.20 . 1 . . . . . 192 GLY N . 27614 1 97 . 1 1 32 32 ARG H H 1 7.7020 0.10 . 1 . . . . . 193 ARG H . 27614 1 98 . 1 1 32 32 ARG HA H 1 4.4440 0.10 . 1 . . . . . 193 ARG HA . 27614 1 99 . 1 1 32 32 ARG C C 13 176.6870 0.20 . 1 . . . . . 193 ARG C . 27614 1 100 . 1 1 32 32 ARG CA C 13 53.8100 0.20 . 1 . . . . . 193 ARG CA . 27614 1 101 . 1 1 32 32 ARG CB C 13 28.1410 0.20 . 1 . . . . . 193 ARG CB . 27614 1 102 . 1 1 32 32 ARG N N 15 122.1670 0.20 . 1 . . . . . 193 ARG N . 27614 1 103 . 1 1 33 33 TYR H H 1 6.8060 0.10 . 1 . . . . . 194 TYR H . 27614 1 104 . 1 1 33 33 TYR C C 13 178.4700 0.20 . 1 . . . . . 194 TYR C . 27614 1 105 . 1 1 33 33 TYR CA C 13 62.0010 0.20 . 1 . . . . . 194 TYR CA . 27614 1 106 . 1 1 33 33 TYR CB C 13 38.2190 0.20 . 1 . . . . . 194 TYR CB . 27614 1 107 . 1 1 33 33 TYR N N 15 118.2660 0.20 . 1 . . . . . 194 TYR N . 27614 1 108 . 1 1 35 35 GLU HA H 1 4.1230 0.10 . 1 . . . . . 196 GLU HA . 27614 1 109 . 1 1 35 35 GLU C C 13 179.7750 0.20 . 1 . . . . . 196 GLU C . 27614 1 110 . 1 1 35 35 GLU CA C 13 59.8100 0.20 . 1 . . . . . 196 GLU CA . 27614 1 111 . 1 1 35 35 GLU CB C 13 30.8000 0.20 . 1 . . . . . 196 GLU CB . 27614 1 112 . 1 1 36 36 ALA H H 1 8.7790 0.10 . 1 . . . . . 197 ALA H . 27614 1 113 . 1 1 36 36 ALA HA H 1 3.8170 0.10 . 1 . . . . . 197 ALA HA . 27614 1 114 . 1 1 36 36 ALA C C 13 178.5150 0.20 . 1 . . . . . 197 ALA C . 27614 1 115 . 1 1 36 36 ALA CA C 13 55.9000 0.20 . 1 . . . . . 197 ALA CA . 27614 1 116 . 1 1 36 36 ALA CB C 13 18.6890 0.20 . 1 . . . . . 197 ALA CB . 27614 1 117 . 1 1 36 36 ALA N N 15 121.9070 0.20 . 1 . . . . . 197 ALA N . 27614 1 118 . 1 1 37 37 SER H H 1 8.3980 0.10 . 1 . . . . . 198 SER H . 27614 1 119 . 1 1 37 37 SER HA H 1 4.2670 0.10 . 1 . . . . . 198 SER HA . 27614 1 120 . 1 1 37 37 SER C C 13 176.1210 0.20 . 1 . . . . . 198 SER C . 27614 1 121 . 1 1 37 37 SER CA C 13 63.0810 0.20 . 1 . . . . . 198 SER CA . 27614 1 122 . 1 1 37 37 SER N N 15 112.9360 0.20 . 1 . . . . . 198 SER N . 27614 1 123 . 1 1 38 38 SER H H 1 7.6210 0.10 . 1 . . . . . 199 SER H . 27614 1 124 . 1 1 38 38 SER HA H 1 4.4120 0.10 . 1 . . . . . 199 SER HA . 27614 1 125 . 1 1 38 38 SER C C 13 177.2070 0.20 . 1 . . . . . 199 SER C . 27614 1 126 . 1 1 38 38 SER CA C 13 61.7700 0.20 . 1 . . . . . 199 SER CA . 27614 1 127 . 1 1 38 38 SER CB C 13 63.1040 0.20 . 1 . . . . . 199 SER CB . 27614 1 128 . 1 1 38 38 SER N N 15 116.7700 0.20 . 1 . . . . . 199 SER N . 27614 1 129 . 1 1 39 39 LYS H H 1 7.4720 0.10 . 1 . . . . . 200 LYS H . 27614 1 130 . 1 1 39 39 LYS HA H 1 4.2300 0.10 . 1 . . . . . 200 LYS HA . 27614 1 131 . 1 1 39 39 LYS C C 13 179.0260 0.20 . 1 . . . . . 200 LYS C . 27614 1 132 . 1 1 39 39 LYS CA C 13 57.7590 0.20 . 1 . . . . . 200 LYS CA . 27614 1 133 . 1 1 39 39 LYS CB C 13 30.7580 0.20 . 1 . . . . . 200 LYS CB . 27614 1 134 . 1 1 39 39 LYS N N 15 121.5050 0.20 . 1 . . . . . 200 LYS N . 27614 1 135 . 1 1 40 40 TYR H H 1 8.2530 0.10 . 1 . . . . . 201 TYR H . 27614 1 136 . 1 1 40 40 TYR HA H 1 4.4490 0.10 . 1 . . . . . 201 TYR HA . 27614 1 137 . 1 1 40 40 TYR C C 13 178.3350 0.20 . 1 . . . . . 201 TYR C . 27614 1 138 . 1 1 40 40 TYR CA C 13 59.8950 0.20 . 1 . . . . . 201 TYR CA . 27614 1 139 . 1 1 40 40 TYR CB C 13 37.5710 0.20 . 1 . . . . . 201 TYR CB . 27614 1 140 . 1 1 40 40 TYR N N 15 116.3080 0.20 . 1 . . . . . 201 TYR N . 27614 1 141 . 1 1 41 41 GLN H H 1 8.6040 0.10 . 1 . . . . . 202 GLN H . 27614 1 142 . 1 1 41 41 GLN HA H 1 3.7940 0.10 . 1 . . . . . 202 GLN HA . 27614 1 143 . 1 1 41 41 GLN C C 13 177.7420 0.20 . 1 . . . . . 202 GLN C . 27614 1 144 . 1 1 41 41 GLN CA C 13 59.8380 0.20 . 1 . . . . . 202 GLN CA . 27614 1 145 . 1 1 41 41 GLN CB C 13 29.3560 0.20 . 1 . . . . . 202 GLN CB . 27614 1 146 . 1 1 41 41 GLN N N 15 116.7940 0.20 . 1 . . . . . 202 GLN N . 27614 1 147 . 1 1 42 42 GLU H H 1 8.0960 0.10 . 1 . . . . . 203 GLU H . 27614 1 148 . 1 1 42 42 GLU HA H 1 3.9620 0.10 . 1 . . . . . 203 GLU HA . 27614 1 149 . 1 1 42 42 GLU C C 13 179.2560 0.20 . 1 . . . . . 203 GLU C . 27614 1 150 . 1 1 42 42 GLU CA C 13 60.0220 0.20 . 1 . . . . . 203 GLU CA . 27614 1 151 . 1 1 42 42 GLU CB C 13 29.9320 0.20 . 1 . . . . . 203 GLU CB . 27614 1 152 . 1 1 42 42 GLU N N 15 119.5820 0.20 . 1 . . . . . 203 GLU N . 27614 1 153 . 1 1 43 43 ALA H H 1 7.9310 0.10 . 1 . . . . . 204 ALA H . 27614 1 154 . 1 1 43 43 ALA HA H 1 3.9980 0.10 . 1 . . . . . 204 ALA HA . 27614 1 155 . 1 1 43 43 ALA C C 13 178.5440 0.20 . 1 . . . . . 204 ALA C . 27614 1 156 . 1 1 43 43 ALA CA C 13 55.3140 0.20 . 1 . . . . . 204 ALA CA . 27614 1 157 . 1 1 43 43 ALA CB C 13 18.8500 0.20 . 1 . . . . . 204 ALA CB . 27614 1 158 . 1 1 43 43 ALA N N 15 121.7490 0.20 . 1 . . . . . 204 ALA N . 27614 1 159 . 1 1 44 44 ILE H H 1 8.3320 0.10 . 1 . . . . . 205 ILE H . 27614 1 160 . 1 1 44 44 ILE HA H 1 3.3310 0.10 . 1 . . . . . 205 ILE HA . 27614 1 161 . 1 1 44 44 ILE C C 13 177.3950 0.20 . 1 . . . . . 205 ILE C . 27614 1 162 . 1 1 44 44 ILE CA C 13 66.8990 0.20 . 1 . . . . . 205 ILE CA . 27614 1 163 . 1 1 44 44 ILE CB C 13 38.4980 0.20 . 1 . . . . . 205 ILE CB . 27614 1 164 . 1 1 44 44 ILE N N 15 119.3470 0.20 . 1 . . . . . 205 ILE N . 27614 1 165 . 1 1 45 45 ILE H H 1 8.1710 0.10 . 1 . . . . . 206 ILE H . 27614 1 166 . 1 1 45 45 ILE HA H 1 3.6050 0.10 . 1 . . . . . 206 ILE HA . 27614 1 167 . 1 1 45 45 ILE C C 13 178.6940 0.20 . 1 . . . . . 206 ILE C . 27614 1 168 . 1 1 45 45 ILE CA C 13 65.2550 0.20 . 1 . . . . . 206 ILE CA . 27614 1 169 . 1 1 45 45 ILE CB C 13 38.1890 0.20 . 1 . . . . . 206 ILE CB . 27614 1 170 . 1 1 45 45 ILE N N 15 119.4400 0.20 . 1 . . . . . 206 ILE N . 27614 1 171 . 1 1 46 46 CYS H H 1 7.7780 0.10 . 1 . . . . . 207 CYS H . 27614 1 172 . 1 1 46 46 CYS HA H 1 4.1740 0.10 . 1 . . . . . 207 CYS HA . 27614 1 173 . 1 1 46 46 CYS C C 13 177.7260 0.20 . 1 . . . . . 207 CYS C . 27614 1 174 . 1 1 46 46 CYS CA C 13 63.1560 0.20 . 1 . . . . . 207 CYS CA . 27614 1 175 . 1 1 46 46 CYS CB C 13 26.7220 0.20 . 1 . . . . . 207 CYS CB . 27614 1 176 . 1 1 46 46 CYS N N 15 118.6480 0.20 . 1 . . . . . 207 CYS N . 27614 1 177 . 1 1 47 47 LEU H H 1 8.1810 0.10 . 1 . . . . . 208 LEU H . 27614 1 178 . 1 1 47 47 LEU HA H 1 4.0200 0.10 . 1 . . . . . 208 LEU HA . 27614 1 179 . 1 1 47 47 LEU C C 13 179.5150 0.20 . 1 . . . . . 208 LEU C . 27614 1 180 . 1 1 47 47 LEU CA C 13 58.2810 0.20 . 1 . . . . . 208 LEU CA . 27614 1 181 . 1 1 47 47 LEU CB C 13 43.1290 0.20 . 1 . . . . . 208 LEU CB . 27614 1 182 . 1 1 47 47 LEU N N 15 119.0630 0.20 . 1 . . . . . 208 LEU N . 27614 1 183 . 1 1 48 48 ARG H H 1 9.0860 0.10 . 1 . . . . . 209 ARG H . 27614 1 184 . 1 1 48 48 ARG HA H 1 3.9080 0.10 . 1 . . . . . 209 ARG HA . 27614 1 185 . 1 1 48 48 ARG C C 13 179.6750 0.20 . 1 . . . . . 209 ARG C . 27614 1 186 . 1 1 48 48 ARG CA C 13 59.2220 0.20 . 1 . . . . . 209 ARG CA . 27614 1 187 . 1 1 48 48 ARG CB C 13 29.7490 0.20 . 1 . . . . . 209 ARG CB . 27614 1 188 . 1 1 48 48 ARG N N 15 120.3790 0.20 . 1 . . . . . 209 ARG N . 27614 1 189 . 1 1 49 49 ASN H H 1 8.1500 0.10 . 1 . . . . . 210 ASN H . 27614 1 190 . 1 1 49 49 ASN HA H 1 4.5830 0.10 . 1 . . . . . 210 ASN HA . 27614 1 191 . 1 1 49 49 ASN C C 13 178.9940 0.20 . 1 . . . . . 210 ASN C . 27614 1 192 . 1 1 49 49 ASN CA C 13 56.4960 0.20 . 1 . . . . . 210 ASN CA . 27614 1 193 . 1 1 49 49 ASN CB C 13 38.2980 0.20 . 1 . . . . . 210 ASN CB . 27614 1 194 . 1 1 49 49 ASN N N 15 118.0670 0.20 . 1 . . . . . 210 ASN N . 27614 1 195 . 1 1 50 50 LEU H H 1 7.9500 0.10 . 1 . . . . . 211 LEU H . 27614 1 196 . 1 1 50 50 LEU C C 13 179.4690 0.20 . 1 . . . . . 211 LEU C . 27614 1 197 . 1 1 50 50 LEU CA C 13 58.0020 0.20 . 1 . . . . . 211 LEU CA . 27614 1 198 . 1 1 50 50 LEU CB C 13 41.9200 0.20 . 1 . . . . . 211 LEU CB . 27614 1 199 . 1 1 50 50 LEU N N 15 121.7450 0.20 . 1 . . . . . 211 LEU N . 27614 1 200 . 1 1 51 51 GLN H H 1 8.4790 0.10 . 1 . . . . . 212 GLN H . 27614 1 201 . 1 1 51 51 GLN HA H 1 3.6790 0.10 . 1 . . . . . 212 GLN HA . 27614 1 202 . 1 1 51 51 GLN C C 13 177.9480 0.20 . 1 . . . . . 212 GLN C . 27614 1 203 . 1 1 51 51 GLN CA C 13 59.1160 0.20 . 1 . . . . . 212 GLN CA . 27614 1 204 . 1 1 51 51 GLN CB C 13 29.7940 0.20 . 1 . . . . . 212 GLN CB . 27614 1 205 . 1 1 51 51 GLN N N 15 120.1810 0.20 . 1 . . . . . 212 GLN N . 27614 1 206 . 1 1 52 52 THR H H 1 7.6900 0.10 . 1 . . . . . 213 THR H . 27614 1 207 . 1 1 52 52 THR HA H 1 4.3900 0.10 . 1 . . . . . 213 THR HA . 27614 1 208 . 1 1 52 52 THR C C 13 175.5660 0.20 . 1 . . . . . 213 THR C . 27614 1 209 . 1 1 52 52 THR CA C 13 65.3200 0.20 . 1 . . . . . 213 THR CA . 27614 1 210 . 1 1 52 52 THR CB C 13 69.7360 0.20 . 1 . . . . . 213 THR CB . 27614 1 211 . 1 1 52 52 THR N N 15 109.7450 0.20 . 1 . . . . . 213 THR N . 27614 1 212 . 1 1 53 53 LYS H H 1 7.2710 0.10 . 1 . . . . . 214 LYS H . 27614 1 213 . 1 1 53 53 LYS HA H 1 4.4710 0.10 . 1 . . . . . 214 LYS HA . 27614 1 214 . 1 1 53 53 LYS C C 13 176.4280 0.20 . 1 . . . . . 214 LYS C . 27614 1 215 . 1 1 53 53 LYS CA C 13 56.0880 0.20 . 1 . . . . . 214 LYS CA . 27614 1 216 . 1 1 53 53 LYS CB C 13 32.5850 0.20 . 1 . . . . . 214 LYS CB . 27614 1 217 . 1 1 53 53 LYS N N 15 118.0810 0.20 . 1 . . . . . 214 LYS N . 27614 1 218 . 1 1 54 54 GLU H H 1 7.7540 0.10 . 1 . . . . . 215 GLU H . 27614 1 219 . 1 1 54 54 GLU HA H 1 4.8740 0.10 . 1 . . . . . 215 GLU HA . 27614 1 220 . 1 1 54 54 GLU C C 13 175.7220 0.20 . 1 . . . . . 215 GLU C . 27614 1 221 . 1 1 54 54 GLU CA C 13 53.5030 0.20 . 1 . . . . . 215 GLU CA . 27614 1 222 . 1 1 54 54 GLU CB C 13 31.4370 0.20 . 1 . . . . . 215 GLU CB . 27614 1 223 . 1 1 54 54 GLU N N 15 117.7060 0.20 . 1 . . . . . 215 GLU N . 27614 1 224 . 1 1 55 55 LYS H H 1 8.8320 0.10 . 1 . . . . . 216 LYS H . 27614 1 225 . 1 1 55 55 LYS C C 13 174.6230 0.20 . 1 . . . . . 216 LYS C . 27614 1 226 . 1 1 55 55 LYS CA C 13 54.0570 0.20 . 1 . . . . . 216 LYS CA . 27614 1 227 . 1 1 55 55 LYS CB C 13 32.7200 0.20 . 1 . . . . . 216 LYS CB . 27614 1 228 . 1 1 55 55 LYS N N 15 123.6310 0.20 . 1 . . . . . 216 LYS N . 27614 1 229 . 1 1 57 57 TRP C C 13 174.3370 0.20 . 1 . . . . . 218 TRP C . 27614 1 230 . 1 1 58 58 GLU H H 1 7.3590 0.10 . 1 . . . . . 219 GLU H . 27614 1 231 . 1 1 58 58 GLU HA H 1 4.8390 0.10 . 1 . . . . . 219 GLU HA . 27614 1 232 . 1 1 58 58 GLU C C 13 177.3900 0.20 . 1 . . . . . 219 GLU C . 27614 1 233 . 1 1 58 58 GLU CA C 13 56.1610 0.20 . 1 . . . . . 219 GLU CA . 27614 1 234 . 1 1 58 58 GLU CB C 13 30.5480 0.20 . 1 . . . . . 219 GLU CB . 27614 1 235 . 1 1 58 58 GLU N N 15 119.1950 0.20 . 1 . . . . . 219 GLU N . 27614 1 236 . 1 1 59 59 VAL H H 1 8.2110 0.10 . 1 . . . . . 220 VAL H . 27614 1 237 . 1 1 59 59 VAL HA H 1 3.8060 0.10 . 1 . . . . . 220 VAL HA . 27614 1 238 . 1 1 59 59 VAL C C 13 178.3740 0.20 . 1 . . . . . 220 VAL C . 27614 1 239 . 1 1 59 59 VAL CA C 13 67.7680 0.20 . 1 . . . . . 220 VAL CA . 27614 1 240 . 1 1 59 59 VAL CB C 13 32.3720 0.20 . 1 . . . . . 220 VAL CB . 27614 1 241 . 1 1 59 59 VAL N N 15 117.3330 0.20 . 1 . . . . . 220 VAL N . 27614 1 242 . 1 1 60 60 GLN H H 1 8.7700 0.10 . 1 . . . . . 221 GLN H . 27614 1 243 . 1 1 60 60 GLN C C 13 178.7820 0.20 . 1 . . . . . 221 GLN C . 27614 1 244 . 1 1 60 60 GLN CA C 13 59.2780 0.20 . 1 . . . . . 221 GLN CA . 27614 1 245 . 1 1 60 60 GLN CB C 13 27.7640 0.20 . 1 . . . . . 221 GLN CB . 27614 1 246 . 1 1 60 60 GLN N N 15 120.0660 0.20 . 1 . . . . . 221 GLN N . 27614 1 247 . 1 1 62 62 LEU HA H 1 4.1190 0.10 . 1 . . . . . 223 LEU HA . 27614 1 248 . 1 1 62 62 LEU C C 13 178.9780 0.20 . 1 . . . . . 223 LEU C . 27614 1 249 . 1 1 62 62 LEU CA C 13 57.7430 0.20 . 1 . . . . . 223 LEU CA . 27614 1 250 . 1 1 62 62 LEU CB C 13 42.5990 0.20 . 1 . . . . . 223 LEU CB . 27614 1 251 . 1 1 63 63 LYS H H 1 8.1970 0.10 . 1 . . . . . 224 LYS H . 27614 1 252 . 1 1 63 63 LYS HA H 1 4.0390 0.10 . 1 . . . . . 224 LYS HA . 27614 1 253 . 1 1 63 63 LYS C C 13 179.9860 0.20 . 1 . . . . . 224 LYS C . 27614 1 254 . 1 1 63 63 LYS CA C 13 60.1800 0.20 . 1 . . . . . 224 LYS CA . 27614 1 255 . 1 1 63 63 LYS CB C 13 32.2230 0.20 . 1 . . . . . 224 LYS CB . 27614 1 256 . 1 1 63 63 LYS N N 15 121.9100 0.20 . 1 . . . . . 224 LYS N . 27614 1 257 . 1 1 64 64 LEU H H 1 7.5540 0.10 . 1 . . . . . 225 LEU H . 27614 1 258 . 1 1 64 64 LEU HA H 1 4.0310 0.10 . 1 . . . . . 225 LEU HA . 27614 1 259 . 1 1 64 64 LEU C C 13 177.6810 0.20 . 1 . . . . . 225 LEU C . 27614 1 260 . 1 1 64 64 LEU CA C 13 57.7170 0.20 . 1 . . . . . 225 LEU CA . 27614 1 261 . 1 1 64 64 LEU CB C 13 41.9930 0.20 . 1 . . . . . 225 LEU CB . 27614 1 262 . 1 1 64 64 LEU N N 15 118.3980 0.20 . 1 . . . . . 225 LEU N . 27614 1 263 . 1 1 65 65 GLU H H 1 8.2360 0.10 . 1 . . . . . 226 GLU H . 27614 1 264 . 1 1 65 65 GLU HA H 1 3.7680 0.10 . 1 . . . . . 226 GLU HA . 27614 1 265 . 1 1 65 65 GLU C C 13 177.5850 0.20 . 1 . . . . . 226 GLU C . 27614 1 266 . 1 1 65 65 GLU CA C 13 58.1220 0.20 . 1 . . . . . 226 GLU CA . 27614 1 267 . 1 1 65 65 GLU CB C 13 29.2600 0.20 . 1 . . . . . 226 GLU CB . 27614 1 268 . 1 1 65 65 GLU N N 15 121.4620 0.20 . 1 . . . . . 226 GLU N . 27614 1 269 . 1 1 66 66 LYS H H 1 7.9040 0.10 . 1 . . . . . 227 LYS H . 27614 1 270 . 1 1 66 66 LYS HA H 1 4.0010 0.10 . 1 . . . . . 227 LYS HA . 27614 1 271 . 1 1 66 66 LYS C C 13 179.9570 0.20 . 1 . . . . . 227 LYS C . 27614 1 272 . 1 1 66 66 LYS CA C 13 59.5750 0.20 . 1 . . . . . 227 LYS CA . 27614 1 273 . 1 1 66 66 LYS CB C 13 32.3850 0.20 . 1 . . . . . 227 LYS CB . 27614 1 274 . 1 1 66 66 LYS N N 15 117.4920 0.20 . 1 . . . . . 227 LYS N . 27614 1 275 . 1 1 67 67 MET H H 1 7.2320 0.10 . 1 . . . . . 228 MET H . 27614 1 276 . 1 1 67 67 MET HA H 1 4.1250 0.10 . 1 . . . . . 228 MET HA . 27614 1 277 . 1 1 67 67 MET C C 13 178.4270 0.20 . 1 . . . . . 228 MET C . 27614 1 278 . 1 1 67 67 MET CA C 13 59.0170 0.20 . 1 . . . . . 228 MET CA . 27614 1 279 . 1 1 67 67 MET CB C 13 33.7650 0.20 . 1 . . . . . 228 MET CB . 27614 1 280 . 1 1 67 67 MET N N 15 118.8300 0.20 . 1 . . . . . 228 MET N . 27614 1 281 . 1 1 68 68 ILE H H 1 8.6410 0.10 . 1 . . . . . 229 ILE H . 27614 1 282 . 1 1 68 68 ILE HA H 1 3.2750 0.10 . 1 . . . . . 229 ILE HA . 27614 1 283 . 1 1 68 68 ILE C C 13 177.3170 0.20 . 1 . . . . . 229 ILE C . 27614 1 284 . 1 1 68 68 ILE CA C 13 66.5230 0.20 . 1 . . . . . 229 ILE CA . 27614 1 285 . 1 1 68 68 ILE CB C 13 37.8140 0.20 . 1 . . . . . 229 ILE CB . 27614 1 286 . 1 1 68 68 ILE N N 15 121.4800 0.20 . 1 . . . . . 229 ILE N . 27614 1 287 . 1 1 69 69 ASN H H 1 8.4540 0.10 . 1 . . . . . 230 ASN H . 27614 1 288 . 1 1 69 69 ASN HA H 1 4.3100 0.10 . 1 . . . . . 230 ASN HA . 27614 1 289 . 1 1 69 69 ASN C C 13 177.7500 0.20 . 1 . . . . . 230 ASN C . 27614 1 290 . 1 1 69 69 ASN CA C 13 56.3030 0.20 . 1 . . . . . 230 ASN CA . 27614 1 291 . 1 1 69 69 ASN CB C 13 37.2230 0.20 . 1 . . . . . 230 ASN CB . 27614 1 292 . 1 1 69 69 ASN N N 15 118.2600 0.20 . 1 . . . . . 230 ASN N . 27614 1 293 . 1 1 70 70 THR H H 1 7.6130 0.10 . 1 . . . . . 231 THR H . 27614 1 294 . 1 1 70 70 THR HA H 1 3.7890 0.10 . 1 . . . . . 231 THR HA . 27614 1 295 . 1 1 70 70 THR C C 13 176.3150 0.20 . 1 . . . . . 231 THR C . 27614 1 296 . 1 1 70 70 THR CA C 13 66.8610 0.20 . 1 . . . . . 231 THR CA . 27614 1 297 . 1 1 70 70 THR CB C 13 69.0910 0.20 . 1 . . . . . 231 THR CB . 27614 1 298 . 1 1 70 70 THR N N 15 116.7570 0.20 . 1 . . . . . 231 THR N . 27614 1 299 . 1 1 71 71 LEU H H 1 7.7390 0.10 . 1 . . . . . 232 LEU H . 27614 1 300 . 1 1 71 71 LEU HA H 1 3.6860 0.10 . 1 . . . . . 232 LEU HA . 27614 1 301 . 1 1 71 71 LEU C C 13 179.3220 0.20 . 1 . . . . . 232 LEU C . 27614 1 302 . 1 1 71 71 LEU CA C 13 58.2040 0.20 . 1 . . . . . 232 LEU CA . 27614 1 303 . 1 1 71 71 LEU CB C 13 42.7220 0.20 . 1 . . . . . 232 LEU CB . 27614 1 304 . 1 1 71 71 LEU N N 15 122.6640 0.20 . 1 . . . . . 232 LEU N . 27614 1 305 . 1 1 72 72 ILE H H 1 9.3120 0.10 . 1 . . . . . 233 ILE H . 27614 1 306 . 1 1 72 72 ILE HA H 1 3.5840 0.10 . 1 . . . . . 233 ILE HA . 27614 1 307 . 1 1 72 72 ILE C C 13 179.4490 0.20 . 1 . . . . . 233 ILE C . 27614 1 308 . 1 1 72 72 ILE CA C 13 65.7270 0.20 . 1 . . . . . 233 ILE CA . 27614 1 309 . 1 1 72 72 ILE CB C 13 37.9090 0.20 . 1 . . . . . 233 ILE CB . 27614 1 310 . 1 1 72 72 ILE N N 15 121.5500 0.20 . 1 . . . . . 233 ILE N . 27614 1 311 . 1 1 73 73 LEU H H 1 8.0570 0.10 . 1 . . . . . 234 LEU H . 27614 1 312 . 1 1 73 73 LEU HA H 1 3.9840 0.10 . 1 . . . . . 234 LEU HA . 27614 1 313 . 1 1 73 73 LEU C C 13 179.0050 0.20 . 1 . . . . . 234 LEU C . 27614 1 314 . 1 1 73 73 LEU CA C 13 59.0270 0.20 . 1 . . . . . 234 LEU CA . 27614 1 315 . 1 1 73 73 LEU CB C 13 40.5820 0.20 . 1 . . . . . 234 LEU CB . 27614 1 316 . 1 1 73 73 LEU N N 15 121.5180 0.20 . 1 . . . . . 234 LEU N . 27614 1 317 . 1 1 74 74 ASN H H 1 7.7700 0.10 . 1 . . . . . 235 ASN H . 27614 1 318 . 1 1 74 74 ASN HA H 1 4.2880 0.10 . 1 . . . . . 235 ASN HA . 27614 1 319 . 1 1 74 74 ASN C C 13 178.0480 0.20 . 1 . . . . . 235 ASN C . 27614 1 320 . 1 1 74 74 ASN CA C 13 56.6480 0.20 . 1 . . . . . 235 ASN CA . 27614 1 321 . 1 1 74 74 ASN CB C 13 36.4160 0.20 . 1 . . . . . 235 ASN CB . 27614 1 322 . 1 1 74 74 ASN N N 15 120.3580 0.20 . 1 . . . . . 235 ASN N . 27614 1 323 . 1 1 75 75 TYR H H 1 8.6300 0.10 . 1 . . . . . 236 TYR H . 27614 1 324 . 1 1 75 75 TYR HA H 1 4.3400 0.10 . 1 . . . . . 236 TYR HA . 27614 1 325 . 1 1 75 75 TYR C C 13 178.3730 0.20 . 1 . . . . . 236 TYR C . 27614 1 326 . 1 1 75 75 TYR CA C 13 61.7800 0.20 . 1 . . . . . 236 TYR CA . 27614 1 327 . 1 1 75 75 TYR CB C 13 38.2580 0.20 . 1 . . . . . 236 TYR CB . 27614 1 328 . 1 1 75 75 TYR N N 15 123.2820 0.20 . 1 . . . . . 236 TYR N . 27614 1 329 . 1 1 76 76 CYS H H 1 9.1210 0.10 . 1 . . . . . 237 CYS H . 27614 1 330 . 1 1 76 76 CYS HA H 1 3.9530 0.10 . 1 . . . . . 237 CYS HA . 27614 1 331 . 1 1 76 76 CYS C C 13 176.5040 0.20 . 1 . . . . . 237 CYS C . 27614 1 332 . 1 1 76 76 CYS CA C 13 64.9180 0.20 . 1 . . . . . 237 CYS CA . 27614 1 333 . 1 1 76 76 CYS CB C 13 27.5430 0.20 . 1 . . . . . 237 CYS CB . 27614 1 334 . 1 1 76 76 CYS N N 15 117.6660 0.20 . 1 . . . . . 237 CYS N . 27614 1 335 . 1 1 77 77 GLN H H 1 7.9700 0.10 . 1 . . . . . 238 GLN H . 27614 1 336 . 1 1 77 77 GLN HA H 1 4.1310 0.10 . 1 . . . . . 238 GLN HA . 27614 1 337 . 1 1 77 77 GLN C C 13 179.4400 0.20 . 1 . . . . . 238 GLN C . 27614 1 338 . 1 1 77 77 GLN CA C 13 60.0550 0.20 . 1 . . . . . 238 GLN CA . 27614 1 339 . 1 1 77 77 GLN CB C 13 28.8010 0.20 . 1 . . . . . 238 GLN CB . 27614 1 340 . 1 1 77 77 GLN N N 15 118.8390 0.20 . 1 . . . . . 238 GLN N . 27614 1 341 . 1 1 78 78 CYS H H 1 7.5270 0.10 . 1 . . . . . 239 CYS H . 27614 1 342 . 1 1 78 78 CYS HA H 1 4.1440 0.10 . 1 . . . . . 239 CYS HA . 27614 1 343 . 1 1 78 78 CYS C C 13 176.6150 0.20 . 1 . . . . . 239 CYS C . 27614 1 344 . 1 1 78 78 CYS CA C 13 63.5730 0.20 . 1 . . . . . 239 CYS CA . 27614 1 345 . 1 1 78 78 CYS CB C 13 27.2910 0.20 . 1 . . . . . 239 CYS CB . 27614 1 346 . 1 1 78 78 CYS N N 15 117.8830 0.20 . 1 . . . . . 239 CYS N . 27614 1 347 . 1 1 79 79 LEU H H 1 7.8640 0.10 . 1 . . . . . 240 LEU H . 27614 1 348 . 1 1 79 79 LEU HA H 1 3.7220 0.10 . 1 . . . . . 240 LEU HA . 27614 1 349 . 1 1 79 79 LEU C C 13 179.9360 0.20 . 1 . . . . . 240 LEU C . 27614 1 350 . 1 1 79 79 LEU CA C 13 58.0100 0.20 . 1 . . . . . 240 LEU CA . 27614 1 351 . 1 1 79 79 LEU CB C 13 41.3520 0.20 . 1 . . . . . 240 LEU CB . 27614 1 352 . 1 1 79 79 LEU N N 15 119.7490 0.20 . 1 . . . . . 240 LEU N . 27614 1 353 . 1 1 80 80 LEU H H 1 8.2070 0.10 . 1 . . . . . 241 LEU H . 27614 1 354 . 1 1 80 80 LEU HA H 1 3.7880 0.10 . 1 . . . . . 241 LEU HA . 27614 1 355 . 1 1 80 80 LEU C C 13 180.7470 0.20 . 1 . . . . . 241 LEU C . 27614 1 356 . 1 1 80 80 LEU CA C 13 58.4060 0.20 . 1 . . . . . 241 LEU CA . 27614 1 357 . 1 1 80 80 LEU CB C 13 42.0230 0.20 . 1 . . . . . 241 LEU CB . 27614 1 358 . 1 1 80 80 LEU N N 15 118.8370 0.20 . 1 . . . . . 241 LEU N . 27614 1 359 . 1 1 81 81 LYS H H 1 7.0050 0.10 . 1 . . . . . 242 LYS H . 27614 1 360 . 1 1 81 81 LYS HA H 1 4.0030 0.10 . 1 . . . . . 242 LYS HA . 27614 1 361 . 1 1 81 81 LYS C C 13 178.1430 0.20 . 1 . . . . . 242 LYS C . 27614 1 362 . 1 1 81 81 LYS CA C 13 56.8610 0.20 . 1 . . . . . 242 LYS CA . 27614 1 363 . 1 1 81 81 LYS CB C 13 31.0840 0.20 . 1 . . . . . 242 LYS CB . 27614 1 364 . 1 1 81 81 LYS N N 15 117.8680 0.20 . 1 . . . . . 242 LYS N . 27614 1 365 . 1 1 82 82 LYS H H 1 7.2520 0.10 . 1 . . . . . 243 LYS H . 27614 1 366 . 1 1 82 82 LYS HA H 1 4.3140 0.10 . 1 . . . . . 243 LYS HA . 27614 1 367 . 1 1 82 82 LYS C C 13 174.5470 0.20 . 1 . . . . . 243 LYS C . 27614 1 368 . 1 1 82 82 LYS CA C 13 55.7840 0.20 . 1 . . . . . 243 LYS CA . 27614 1 369 . 1 1 82 82 LYS CB C 13 32.1960 0.20 . 1 . . . . . 243 LYS CB . 27614 1 370 . 1 1 82 82 LYS N N 15 117.0580 0.20 . 1 . . . . . 243 LYS N . 27614 1 371 . 1 1 83 83 GLU H H 1 7.4430 0.10 . 1 . . . . . 244 GLU H . 27614 1 372 . 1 1 83 83 GLU HA H 1 2.8350 0.10 . 1 . . . . . 244 GLU HA . 27614 1 373 . 1 1 83 83 GLU C C 13 175.5470 0.20 . 1 . . . . . 244 GLU C . 27614 1 374 . 1 1 83 83 GLU CA C 13 57.0580 0.20 . 1 . . . . . 244 GLU CA . 27614 1 375 . 1 1 83 83 GLU CB C 13 26.0950 0.20 . 1 . . . . . 244 GLU CB . 27614 1 376 . 1 1 83 83 GLU N N 15 112.4040 0.20 . 1 . . . . . 244 GLU N . 27614 1 377 . 1 1 84 84 GLU H H 1 7.6230 0.10 . 1 . . . . . 245 GLU H . 27614 1 378 . 1 1 84 84 GLU HA H 1 4.5540 0.10 . 1 . . . . . 245 GLU HA . 27614 1 379 . 1 1 84 84 GLU C C 13 176.7320 0.20 . 1 . . . . . 245 GLU C . 27614 1 380 . 1 1 84 84 GLU CA C 13 54.0540 0.20 . 1 . . . . . 245 GLU CA . 27614 1 381 . 1 1 84 84 GLU CB C 13 27.6800 0.20 . 1 . . . . . 245 GLU CB . 27614 1 382 . 1 1 84 84 GLU N N 15 121.5110 0.20 . 1 . . . . . 245 GLU N . 27614 1 383 . 1 1 85 85 TYR H H 1 6.7820 0.10 . 1 . . . . . 246 TYR H . 27614 1 384 . 1 1 85 85 TYR HA H 1 3.8730 0.10 . 1 . . . . . 246 TYR HA . 27614 1 385 . 1 1 85 85 TYR C C 13 178.3400 0.20 . 1 . . . . . 246 TYR C . 27614 1 386 . 1 1 85 85 TYR CA C 13 60.8180 0.20 . 1 . . . . . 246 TYR CA . 27614 1 387 . 1 1 85 85 TYR CB C 13 38.8970 0.20 . 1 . . . . . 246 TYR CB . 27614 1 388 . 1 1 85 85 TYR N N 15 116.9530 0.20 . 1 . . . . . 246 TYR N . 27614 1 389 . 1 1 86 86 TYR H H 1 8.1100 0.10 . 1 . . . . . 247 TYR H . 27614 1 390 . 1 1 86 86 TYR HA H 1 4.1260 0.10 . 1 . . . . . 247 TYR HA . 27614 1 391 . 1 1 86 86 TYR C C 13 179.2320 0.20 . 1 . . . . . 247 TYR C . 27614 1 392 . 1 1 86 86 TYR CA C 13 62.7860 0.20 . 1 . . . . . 247 TYR CA . 27614 1 393 . 1 1 86 86 TYR CB C 13 36.8300 0.20 . 1 . . . . . 247 TYR CB . 27614 1 394 . 1 1 86 86 TYR N N 15 116.7060 0.20 . 1 . . . . . 247 TYR N . 27614 1 395 . 1 1 87 87 GLU H H 1 8.4270 0.10 . 1 . . . . . 248 GLU H . 27614 1 396 . 1 1 87 87 GLU HA H 1 4.0800 0.10 . 1 . . . . . 248 GLU HA . 27614 1 397 . 1 1 87 87 GLU C C 13 178.5870 0.20 . 1 . . . . . 248 GLU C . 27614 1 398 . 1 1 87 87 GLU CA C 13 59.7840 0.20 . 1 . . . . . 248 GLU CA . 27614 1 399 . 1 1 87 87 GLU CB C 13 29.2460 0.20 . 1 . . . . . 248 GLU CB . 27614 1 400 . 1 1 87 87 GLU N N 15 121.5500 0.20 . 1 . . . . . 248 GLU N . 27614 1 401 . 1 1 88 88 VAL H H 1 7.3190 0.10 . 1 . . . . . 249 VAL H . 27614 1 402 . 1 1 88 88 VAL HA H 1 3.7150 0.10 . 1 . . . . . 249 VAL HA . 27614 1 403 . 1 1 88 88 VAL C C 13 179.7170 0.20 . 1 . . . . . 249 VAL C . 27614 1 404 . 1 1 88 88 VAL CA C 13 67.2430 0.20 . 1 . . . . . 249 VAL CA . 27614 1 405 . 1 1 88 88 VAL CB C 13 31.1270 0.20 . 1 . . . . . 249 VAL CB . 27614 1 406 . 1 1 88 88 VAL N N 15 118.2570 0.20 . 1 . . . . . 249 VAL N . 27614 1 407 . 1 1 89 89 LEU H H 1 7.9600 0.10 . 1 . . . . . 250 LEU H . 27614 1 408 . 1 1 89 89 LEU HA H 1 3.6150 0.10 . 1 . . . . . 250 LEU HA . 27614 1 409 . 1 1 89 89 LEU C C 13 178.8350 0.20 . 1 . . . . . 250 LEU C . 27614 1 410 . 1 1 89 89 LEU CA C 13 58.8570 0.20 . 1 . . . . . 250 LEU CA . 27614 1 411 . 1 1 89 89 LEU CB C 13 41.1490 0.20 . 1 . . . . . 250 LEU CB . 27614 1 412 . 1 1 89 89 LEU N N 15 120.8190 0.20 . 1 . . . . . 250 LEU N . 27614 1 413 . 1 1 90 90 GLU H H 1 7.5340 0.10 . 1 . . . . . 251 GLU H . 27614 1 414 . 1 1 90 90 GLU HA H 1 4.0730 0.10 . 1 . . . . . 251 GLU HA . 27614 1 415 . 1 1 90 90 GLU C C 13 178.8780 0.20 . 1 . . . . . 251 GLU C . 27614 1 416 . 1 1 90 90 GLU CA C 13 59.8690 0.20 . 1 . . . . . 251 GLU CA . 27614 1 417 . 1 1 90 90 GLU CB C 13 29.3300 0.20 . 1 . . . . . 251 GLU CB . 27614 1 418 . 1 1 90 90 GLU N N 15 120.4850 0.20 . 1 . . . . . 251 GLU N . 27614 1 419 . 1 1 91 91 HIS H H 1 8.0350 0.10 . 1 . . . . . 252 HIS H . 27614 1 420 . 1 1 91 91 HIS HA H 1 4.6620 0.10 . 1 . . . . . 252 HIS HA . 27614 1 421 . 1 1 91 91 HIS C C 13 180.1250 0.20 . 1 . . . . . 252 HIS C . 27614 1 422 . 1 1 91 91 HIS CA C 13 59.8220 0.20 . 1 . . . . . 252 HIS CA . 27614 1 423 . 1 1 91 91 HIS CB C 13 31.5430 0.20 . 1 . . . . . 252 HIS CB . 27614 1 424 . 1 1 91 91 HIS N N 15 116.4550 0.20 . 1 . . . . . 252 HIS N . 27614 1 425 . 1 1 92 92 THR H H 1 8.4170 0.10 . 1 . . . . . 253 THR H . 27614 1 426 . 1 1 92 92 THR HA H 1 3.9020 0.10 . 1 . . . . . 253 THR HA . 27614 1 427 . 1 1 92 92 THR C C 13 177.6300 0.20 . 1 . . . . . 253 THR C . 27614 1 428 . 1 1 92 92 THR CA C 13 65.9810 0.20 . 1 . . . . . 253 THR CA . 27614 1 429 . 1 1 92 92 THR CB C 13 69.0340 0.20 . 1 . . . . . 253 THR CB . 27614 1 430 . 1 1 92 92 THR N N 15 107.9590 0.20 . 1 . . . . . 253 THR N . 27614 1 431 . 1 1 93 93 SER H H 1 7.6500 0.10 . 1 . . . . . 254 SER H . 27614 1 432 . 1 1 93 93 SER C C 13 175.7850 0.20 . 1 . . . . . 254 SER C . 27614 1 433 . 1 1 93 93 SER CA C 13 62.6230 0.20 . 1 . . . . . 254 SER CA . 27614 1 434 . 1 1 93 93 SER N N 15 117.5030 0.20 . 1 . . . . . 254 SER N . 27614 1 435 . 1 1 94 94 ASP H H 1 8.0040 0.10 . 1 . . . . . 255 ASP H . 27614 1 436 . 1 1 94 94 ASP HA H 1 4.5510 0.10 . 1 . . . . . 255 ASP HA . 27614 1 437 . 1 1 94 94 ASP C C 13 178.9010 0.20 . 1 . . . . . 255 ASP C . 27614 1 438 . 1 1 94 94 ASP CA C 13 57.9070 0.20 . 1 . . . . . 255 ASP CA . 27614 1 439 . 1 1 94 94 ASP CB C 13 40.8660 0.20 . 1 . . . . . 255 ASP CB . 27614 1 440 . 1 1 94 94 ASP N N 15 122.7660 0.20 . 1 . . . . . 255 ASP N . 27614 1 441 . 1 1 95 95 ILE H H 1 7.5750 0.10 . 1 . . . . . 256 ILE H . 27614 1 442 . 1 1 95 95 ILE HA H 1 4.0220 0.10 . 1 . . . . . 256 ILE HA . 27614 1 443 . 1 1 95 95 ILE C C 13 178.3770 0.20 . 1 . . . . . 256 ILE C . 27614 1 444 . 1 1 95 95 ILE CA C 13 65.9540 0.20 . 1 . . . . . 256 ILE CA . 27614 1 445 . 1 1 95 95 ILE CB C 13 38.9180 0.20 . 1 . . . . . 256 ILE CB . 27614 1 446 . 1 1 95 95 ILE N N 15 118.7530 0.20 . 1 . . . . . 256 ILE N . 27614 1 447 . 1 1 96 96 LEU H H 1 7.9330 0.10 . 1 . . . . . 257 LEU H . 27614 1 448 . 1 1 96 96 LEU HA H 1 4.0220 0.10 . 1 . . . . . 257 LEU HA . 27614 1 449 . 1 1 96 96 LEU C C 13 178.2730 0.20 . 1 . . . . . 257 LEU C . 27614 1 450 . 1 1 96 96 LEU CA C 13 56.9070 0.20 . 1 . . . . . 257 LEU CA . 27614 1 451 . 1 1 96 96 LEU CB C 13 42.8310 0.20 . 1 . . . . . 257 LEU CB . 27614 1 452 . 1 1 96 96 LEU N N 15 118.3380 0.20 . 1 . . . . . 257 LEU N . 27614 1 453 . 1 1 97 97 ARG H H 1 7.6680 0.10 . 1 . . . . . 258 ARG H . 27614 1 454 . 1 1 97 97 ARG HA H 1 3.9930 0.10 . 1 . . . . . 258 ARG HA . 27614 1 455 . 1 1 97 97 ARG C C 13 177.3150 0.20 . 1 . . . . . 258 ARG C . 27614 1 456 . 1 1 97 97 ARG CA C 13 58.9140 0.20 . 1 . . . . . 258 ARG CA . 27614 1 457 . 1 1 97 97 ARG CB C 13 30.2360 0.20 . 1 . . . . . 258 ARG CB . 27614 1 458 . 1 1 97 97 ARG N N 15 118.0670 0.20 . 1 . . . . . 258 ARG N . 27614 1 459 . 1 1 98 98 HIS H H 1 7.0020 0.10 . 1 . . . . . 259 HIS H . 27614 1 460 . 1 1 98 98 HIS HA H 1 4.7280 0.10 . 1 . . . . . 259 HIS HA . 27614 1 461 . 1 1 98 98 HIS C C 13 174.7460 0.20 . 1 . . . . . 259 HIS C . 27614 1 462 . 1 1 98 98 HIS CA C 13 56.7620 0.20 . 1 . . . . . 259 HIS CA . 27614 1 463 . 1 1 98 98 HIS CB C 13 32.5890 0.20 . 1 . . . . . 259 HIS CB . 27614 1 464 . 1 1 98 98 HIS N N 15 114.0270 0.20 . 1 . . . . . 259 HIS N . 27614 1 465 . 1 1 99 99 HIS H H 1 8.5650 0.10 . 1 . . . . . 260 HIS H . 27614 1 466 . 1 1 99 99 HIS C C 13 172.5450 0.20 . 1 . . . . . 260 HIS C . 27614 1 467 . 1 1 99 99 HIS CA C 13 53.4250 0.20 . 1 . . . . . 260 HIS CA . 27614 1 468 . 1 1 99 99 HIS CB C 13 31.2210 0.20 . 1 . . . . . 260 HIS CB . 27614 1 469 . 1 1 99 99 HIS N N 15 118.2110 0.20 . 1 . . . . . 260 HIS N . 27614 1 470 . 1 1 100 100 PRO HA H 1 4.7170 0.10 . 1 . . . . . 261 PRO HA . 27614 1 471 . 1 1 100 100 PRO C C 13 177.9780 0.20 . 1 . . . . . 261 PRO C . 27614 1 472 . 1 1 100 100 PRO CA C 13 64.0250 0.20 . 1 . . . . . 261 PRO CA . 27614 1 473 . 1 1 101 101 GLY H H 1 8.8470 0.10 . 1 . . . . . 262 GLY H . 27614 1 474 . 1 1 101 101 GLY HA2 H 1 3.8110 0.10 . 1 . . . . . 262 GLY HA2 . 27614 1 475 . 1 1 101 101 GLY C C 13 174.3040 0.20 . 1 . . . . . 262 GLY C . 27614 1 476 . 1 1 101 101 GLY CA C 13 45.1950 0.20 . 1 . . . . . 262 GLY CA . 27614 1 477 . 1 1 101 101 GLY N N 15 109.2760 0.20 . 1 . . . . . 262 GLY N . 27614 1 478 . 1 1 102 102 ILE H H 1 6.8940 0.10 . 1 . . . . . 263 ILE H . 27614 1 479 . 1 1 102 102 ILE HA H 1 4.2990 0.10 . 1 . . . . . 263 ILE HA . 27614 1 480 . 1 1 102 102 ILE C C 13 175.8260 0.20 . 1 . . . . . 263 ILE C . 27614 1 481 . 1 1 102 102 ILE CA C 13 61.3120 0.20 . 1 . . . . . 263 ILE CA . 27614 1 482 . 1 1 102 102 ILE CB C 13 35.7930 0.20 . 1 . . . . . 263 ILE CB . 27614 1 483 . 1 1 102 102 ILE N N 15 118.6550 0.20 . 1 . . . . . 263 ILE N . 27614 1 484 . 1 1 103 103 VAL H H 1 8.2380 0.10 . 1 . . . . . 264 VAL H . 27614 1 485 . 1 1 103 103 VAL HA H 1 3.8240 0.10 . 1 . . . . . 264 VAL HA . 27614 1 486 . 1 1 103 103 VAL C C 13 177.6980 0.20 . 1 . . . . . 264 VAL C . 27614 1 487 . 1 1 103 103 VAL CA C 13 67.3350 0.20 . 1 . . . . . 264 VAL CA . 27614 1 488 . 1 1 103 103 VAL CB C 13 32.3320 0.20 . 1 . . . . . 264 VAL CB . 27614 1 489 . 1 1 103 103 VAL N N 15 131.2570 0.20 . 1 . . . . . 264 VAL N . 27614 1 490 . 1 1 104 104 LYS H H 1 8.8700 0.10 . 1 . . . . . 265 LYS H . 27614 1 491 . 1 1 104 104 LYS HA H 1 4.0880 0.10 . 1 . . . . . 265 LYS HA . 27614 1 492 . 1 1 104 104 LYS C C 13 177.9010 0.20 . 1 . . . . . 265 LYS C . 27614 1 493 . 1 1 104 104 LYS CA C 13 59.3470 0.20 . 1 . . . . . 265 LYS CA . 27614 1 494 . 1 1 104 104 LYS CB C 13 32.8670 0.20 . 1 . . . . . 265 LYS CB . 27614 1 495 . 1 1 104 104 LYS N N 15 117.6340 0.20 . 1 . . . . . 265 LYS N . 27614 1 496 . 1 1 105 105 ALA H H 1 7.4430 0.10 . 1 . . . . . 266 ALA H . 27614 1 497 . 1 1 105 105 ALA HA H 1 4.0530 0.10 . 1 . . . . . 266 ALA HA . 27614 1 498 . 1 1 105 105 ALA C C 13 178.4900 0.20 . 1 . . . . . 266 ALA C . 27614 1 499 . 1 1 105 105 ALA CA C 13 55.3500 0.20 . 1 . . . . . 266 ALA CA . 27614 1 500 . 1 1 105 105 ALA CB C 13 17.2080 0.20 . 1 . . . . . 266 ALA CB . 27614 1 501 . 1 1 105 105 ALA N N 15 117.2820 0.20 . 1 . . . . . 266 ALA N . 27614 1 502 . 1 1 106 106 TYR H H 1 7.1410 0.10 . 1 . . . . . 267 TYR H . 27614 1 503 . 1 1 106 106 TYR HA H 1 4.0120 0.10 . 1 . . . . . 267 TYR HA . 27614 1 504 . 1 1 106 106 TYR C C 13 177.5380 0.20 . 1 . . . . . 267 TYR C . 27614 1 505 . 1 1 106 106 TYR CA C 13 62.6000 0.20 . 1 . . . . . 267 TYR CA . 27614 1 506 . 1 1 106 106 TYR CB C 13 39.3370 0.20 . 1 . . . . . 267 TYR CB . 27614 1 507 . 1 1 106 106 TYR N N 15 115.3500 0.20 . 1 . . . . . 267 TYR N . 27614 1 508 . 1 1 107 107 TYR H H 1 7.7640 0.10 . 1 . . . . . 268 TYR H . 27614 1 509 . 1 1 107 107 TYR HA H 1 4.0520 0.10 . 1 . . . . . 268 TYR HA . 27614 1 510 . 1 1 107 107 TYR C C 13 176.7680 0.20 . 1 . . . . . 268 TYR C . 27614 1 511 . 1 1 107 107 TYR CA C 13 61.7140 0.20 . 1 . . . . . 268 TYR CA . 27614 1 512 . 1 1 107 107 TYR CB C 13 39.1750 0.20 . 1 . . . . . 268 TYR CB . 27614 1 513 . 1 1 107 107 TYR N N 15 118.3530 0.20 . 1 . . . . . 268 TYR N . 27614 1 514 . 1 1 108 108 VAL H H 1 8.3600 0.10 . 1 . . . . . 269 VAL H . 27614 1 515 . 1 1 108 108 VAL HA H 1 3.4740 0.10 . 1 . . . . . 269 VAL HA . 27614 1 516 . 1 1 108 108 VAL C C 13 177.1110 0.20 . 1 . . . . . 269 VAL C . 27614 1 517 . 1 1 108 108 VAL CA C 13 66.5840 0.20 . 1 . . . . . 269 VAL CA . 27614 1 518 . 1 1 108 108 VAL CB C 13 32.0160 0.20 . 1 . . . . . 269 VAL CB . 27614 1 519 . 1 1 108 108 VAL N N 15 117.6480 0.20 . 1 . . . . . 269 VAL N . 27614 1 520 . 1 1 109 109 ARG H H 1 8.2140 0.10 . 1 . . . . . 270 ARG H . 27614 1 521 . 1 1 109 109 ARG HA H 1 3.5510 0.10 . 1 . . . . . 270 ARG HA . 27614 1 522 . 1 1 109 109 ARG C C 13 177.9310 0.20 . 1 . . . . . 270 ARG C . 27614 1 523 . 1 1 109 109 ARG CA C 13 62.0850 0.20 . 1 . . . . . 270 ARG CA . 27614 1 524 . 1 1 109 109 ARG CB C 13 30.3330 0.20 . 1 . . . . . 270 ARG CB . 27614 1 525 . 1 1 109 109 ARG N N 15 120.3870 0.20 . 1 . . . . . 270 ARG N . 27614 1 526 . 1 1 110 110 ALA H H 1 8.6250 0.10 . 1 . . . . . 271 ALA H . 27614 1 527 . 1 1 110 110 ALA HA H 1 4.1610 0.10 . 1 . . . . . 271 ALA HA . 27614 1 528 . 1 1 110 110 ALA C C 13 180.3550 0.20 . 1 . . . . . 271 ALA C . 27614 1 529 . 1 1 110 110 ALA CA C 13 55.9390 0.20 . 1 . . . . . 271 ALA CA . 27614 1 530 . 1 1 110 110 ALA CB C 13 19.0270 0.20 . 1 . . . . . 271 ALA CB . 27614 1 531 . 1 1 110 110 ALA N N 15 119.5170 0.20 . 1 . . . . . 271 ALA N . 27614 1 532 . 1 1 111 111 ARG H H 1 7.4420 0.10 . 1 . . . . . 272 ARG H . 27614 1 533 . 1 1 111 111 ARG HA H 1 3.9300 0.10 . 1 . . . . . 272 ARG HA . 27614 1 534 . 1 1 111 111 ARG C C 13 177.9400 0.20 . 1 . . . . . 272 ARG C . 27614 1 535 . 1 1 111 111 ARG CA C 13 58.5990 0.20 . 1 . . . . . 272 ARG CA . 27614 1 536 . 1 1 111 111 ARG CB C 13 29.4360 0.20 . 1 . . . . . 272 ARG CB . 27614 1 537 . 1 1 111 111 ARG N N 15 116.4310 0.20 . 1 . . . . . 272 ARG N . 27614 1 538 . 1 1 112 112 ALA H H 1 7.4750 0.10 . 1 . . . . . 273 ALA H . 27614 1 539 . 1 1 112 112 ALA HA H 1 3.7550 0.10 . 1 . . . . . 273 ALA HA . 27614 1 540 . 1 1 112 112 ALA C C 13 178.4010 0.20 . 1 . . . . . 273 ALA C . 27614 1 541 . 1 1 112 112 ALA CA C 13 55.4270 0.20 . 1 . . . . . 273 ALA CA . 27614 1 542 . 1 1 112 112 ALA CB C 13 18.1150 0.20 . 1 . . . . . 273 ALA CB . 27614 1 543 . 1 1 112 112 ALA N N 15 120.9800 0.20 . 1 . . . . . 273 ALA N . 27614 1 544 . 1 1 113 113 HIS H H 1 8.8580 0.10 . 1 . . . . . 274 HIS H . 27614 1 545 . 1 1 113 113 HIS HA H 1 4.1440 0.10 . 1 . . . . . 274 HIS HA . 27614 1 546 . 1 1 113 113 HIS C C 13 179.2800 0.20 . 1 . . . . . 274 HIS C . 27614 1 547 . 1 1 113 113 HIS CA C 13 59.1800 0.20 . 1 . . . . . 274 HIS CA . 27614 1 548 . 1 1 113 113 HIS CB C 13 31.6780 0.20 . 1 . . . . . 274 HIS CB . 27614 1 549 . 1 1 113 113 HIS N N 15 115.8760 0.20 . 1 . . . . . 274 HIS N . 27614 1 550 . 1 1 114 114 ALA H H 1 8.4810 0.10 . 1 . . . . . 275 ALA H . 27614 1 551 . 1 1 114 114 ALA HA H 1 3.5600 0.10 . 1 . . . . . 275 ALA HA . 27614 1 552 . 1 1 114 114 ALA C C 13 180.6830 0.20 . 1 . . . . . 275 ALA C . 27614 1 553 . 1 1 114 114 ALA CA C 13 55.3930 0.20 . 1 . . . . . 275 ALA CA . 27614 1 554 . 1 1 114 114 ALA CB C 13 18.7350 0.20 . 1 . . . . . 275 ALA CB . 27614 1 555 . 1 1 114 114 ALA N N 15 120.6060 0.20 . 1 . . . . . 275 ALA N . 27614 1 556 . 1 1 115 115 GLU H H 1 7.3610 0.10 . 1 . . . . . 276 GLU H . 27614 1 557 . 1 1 115 115 GLU HA H 1 3.7240 0.10 . 1 . . . . . 276 GLU HA . 27614 1 558 . 1 1 115 115 GLU C C 13 177.9370 0.20 . 1 . . . . . 276 GLU C . 27614 1 559 . 1 1 115 115 GLU CA C 13 57.3340 0.20 . 1 . . . . . 276 GLU CA . 27614 1 560 . 1 1 115 115 GLU CB C 13 27.3710 0.20 . 1 . . . . . 276 GLU CB . 27614 1 561 . 1 1 115 115 GLU N N 15 115.2290 0.20 . 1 . . . . . 276 GLU N . 27614 1 562 . 1 1 116 116 VAL H H 1 7.0020 0.10 . 1 . . . . . 277 VAL H . 27614 1 563 . 1 1 116 116 VAL HA H 1 4.3160 0.10 . 1 . . . . . 277 VAL HA . 27614 1 564 . 1 1 116 116 VAL C C 13 175.1130 0.20 . 1 . . . . . 277 VAL C . 27614 1 565 . 1 1 116 116 VAL CA C 13 60.3010 0.20 . 1 . . . . . 277 VAL CA . 27614 1 566 . 1 1 116 116 VAL CB C 13 30.5250 0.20 . 1 . . . . . 277 VAL CB . 27614 1 567 . 1 1 116 116 VAL N N 15 109.3930 0.20 . 1 . . . . . 277 VAL N . 27614 1 568 . 1 1 117 117 TRP H H 1 7.4190 0.10 . 1 . . . . . 278 TRP H . 27614 1 569 . 1 1 117 117 TRP HA H 1 3.9550 0.10 . 1 . . . . . 278 TRP HA . 27614 1 570 . 1 1 117 117 TRP C C 13 175.5140 0.20 . 1 . . . . . 278 TRP C . 27614 1 571 . 1 1 117 117 TRP CA C 13 59.6950 0.20 . 1 . . . . . 278 TRP CA . 27614 1 572 . 1 1 117 117 TRP CB C 13 24.7850 0.20 . 1 . . . . . 278 TRP CB . 27614 1 573 . 1 1 117 117 TRP N N 15 114.3040 0.20 . 1 . . . . . 278 TRP N . 27614 1 574 . 1 1 118 118 ASN H H 1 8.6940 0.10 . 1 . . . . . 279 ASN H . 27614 1 575 . 1 1 118 118 ASN HA H 1 5.1700 0.10 . 1 . . . . . 279 ASN HA . 27614 1 576 . 1 1 118 118 ASN C C 13 175.2390 0.20 . 1 . . . . . 279 ASN C . 27614 1 577 . 1 1 118 118 ASN CA C 13 50.6690 0.20 . 1 . . . . . 279 ASN CA . 27614 1 578 . 1 1 118 118 ASN CB C 13 36.6070 0.20 . 1 . . . . . 279 ASN CB . 27614 1 579 . 1 1 118 118 ASN N N 15 121.6010 0.20 . 1 . . . . . 279 ASN N . 27614 1 580 . 1 1 119 119 GLU H H 1 7.7270 0.10 . 1 . . . . . 280 GLU H . 27614 1 581 . 1 1 119 119 GLU HA H 1 3.7410 0.10 . 1 . . . . . 280 GLU HA . 27614 1 582 . 1 1 119 119 GLU C C 13 177.5190 0.20 . 1 . . . . . 280 GLU C . 27614 1 583 . 1 1 119 119 GLU CA C 13 60.6890 0.20 . 1 . . . . . 280 GLU CA . 27614 1 584 . 1 1 119 119 GLU CB C 13 30.0850 0.20 . 1 . . . . . 280 GLU CB . 27614 1 585 . 1 1 119 119 GLU N N 15 122.8510 0.20 . 1 . . . . . 280 GLU N . 27614 1 586 . 1 1 120 120 ALA H H 1 8.6040 0.10 . 1 . . . . . 281 ALA H . 27614 1 587 . 1 1 120 120 ALA C C 13 181.1840 0.20 . 1 . . . . . 281 ALA C . 27614 1 588 . 1 1 120 120 ALA CA C 13 55.4410 0.20 . 1 . . . . . 281 ALA CA . 27614 1 589 . 1 1 120 120 ALA CB C 13 18.0390 0.20 . 1 . . . . . 281 ALA CB . 27614 1 590 . 1 1 120 120 ALA N N 15 120.6150 0.20 . 1 . . . . . 281 ALA N . 27614 1 591 . 1 1 121 121 GLU HA H 1 3.7730 0.10 . 1 . . . . . 282 GLU HA . 27614 1 592 . 1 1 121 121 GLU C C 13 179.0100 0.20 . 1 . . . . . 282 GLU C . 27614 1 593 . 1 1 121 121 GLU CA C 13 60.1320 0.20 . 1 . . . . . 282 GLU CA . 27614 1 594 . 1 1 121 121 GLU CB C 13 26.3890 0.20 . 1 . . . . . 282 GLU CB . 27614 1 595 . 1 1 122 122 ALA H H 1 8.0340 0.10 . 1 . . . . . 283 ALA H . 27614 1 596 . 1 1 122 122 ALA HA H 1 4.1140 0.10 . 1 . . . . . 283 ALA HA . 27614 1 597 . 1 1 122 122 ALA C C 13 179.4710 0.20 . 1 . . . . . 283 ALA C . 27614 1 598 . 1 1 122 122 ALA CA C 13 55.9630 0.20 . 1 . . . . . 283 ALA CA . 27614 1 599 . 1 1 122 122 ALA CB C 13 18.5340 0.20 . 1 . . . . . 283 ALA CB . 27614 1 600 . 1 1 122 122 ALA N N 15 121.2000 0.20 . 1 . . . . . 283 ALA N . 27614 1 601 . 1 1 123 123 LYS H H 1 8.1500 0.10 . 1 . . . . . 284 LYS H . 27614 1 602 . 1 1 123 123 LYS HA H 1 3.7610 0.10 . 1 . . . . . 284 LYS HA . 27614 1 603 . 1 1 123 123 LYS C C 13 178.9230 0.20 . 1 . . . . . 284 LYS C . 27614 1 604 . 1 1 123 123 LYS CA C 13 60.7890 0.20 . 1 . . . . . 284 LYS CA . 27614 1 605 . 1 1 123 123 LYS CB C 13 32.4910 0.20 . 1 . . . . . 284 LYS CB . 27614 1 606 . 1 1 123 123 LYS N N 15 115.3670 0.20 . 1 . . . . . 284 LYS N . 27614 1 607 . 1 1 124 124 ALA H H 1 7.9340 0.10 . 1 . . . . . 285 ALA H . 27614 1 608 . 1 1 124 124 ALA HA H 1 4.1380 0.10 . 1 . . . . . 285 ALA HA . 27614 1 609 . 1 1 124 124 ALA C C 13 181.0040 0.20 . 1 . . . . . 285 ALA C . 27614 1 610 . 1 1 124 124 ALA CA C 13 55.3380 0.20 . 1 . . . . . 285 ALA CA . 27614 1 611 . 1 1 124 124 ALA CB C 13 18.1550 0.20 . 1 . . . . . 285 ALA CB . 27614 1 612 . 1 1 124 124 ALA N N 15 121.7370 0.20 . 1 . . . . . 285 ALA N . 27614 1 613 . 1 1 125 125 ASP H H 1 7.9710 0.10 . 1 . . . . . 286 ASP H . 27614 1 614 . 1 1 125 125 ASP C C 13 178.8910 0.20 . 1 . . . . . 286 ASP C . 27614 1 615 . 1 1 125 125 ASP CA C 13 58.1330 0.20 . 1 . . . . . 286 ASP CA . 27614 1 616 . 1 1 125 125 ASP CB C 13 40.8430 0.20 . 1 . . . . . 286 ASP CB . 27614 1 617 . 1 1 125 125 ASP N N 15 121.5530 0.20 . 1 . . . . . 286 ASP N . 27614 1 618 . 1 1 126 126 LEU H H 1 8.3490 0.10 . 1 . . . . . 287 LEU H . 27614 1 619 . 1 1 126 126 LEU HA H 1 4.0470 0.10 . 1 . . . . . 287 LEU HA . 27614 1 620 . 1 1 126 126 LEU C C 13 178.8370 0.20 . 1 . . . . . 287 LEU C . 27614 1 621 . 1 1 126 126 LEU CA C 13 58.1280 0.20 . 1 . . . . . 287 LEU CA . 27614 1 622 . 1 1 126 126 LEU CB C 13 40.8140 0.20 . 1 . . . . . 287 LEU CB . 27614 1 623 . 1 1 126 126 LEU N N 15 119.8300 0.20 . 1 . . . . . 287 LEU N . 27614 1 624 . 1 1 127 127 GLN H H 1 8.2470 0.10 . 1 . . . . . 288 GLN H . 27614 1 625 . 1 1 127 127 GLN HA H 1 4.0020 0.10 . 1 . . . . . 288 GLN HA . 27614 1 626 . 1 1 127 127 GLN C C 13 178.9250 0.20 . 1 . . . . . 288 GLN C . 27614 1 627 . 1 1 127 127 GLN CA C 13 58.8210 0.20 . 1 . . . . . 288 GLN CA . 27614 1 628 . 1 1 127 127 GLN CB C 13 27.7830 0.20 . 1 . . . . . 288 GLN CB . 27614 1 629 . 1 1 127 127 GLN N N 15 118.2200 0.20 . 1 . . . . . 288 GLN N . 27614 1 630 . 1 1 128 128 LYS H H 1 7.5110 0.10 . 1 . . . . . 289 LYS H . 27614 1 631 . 1 1 128 128 LYS HA H 1 3.8980 0.10 . 1 . . . . . 289 LYS HA . 27614 1 632 . 1 1 128 128 LYS C C 13 178.5090 0.20 . 1 . . . . . 289 LYS C . 27614 1 633 . 1 1 128 128 LYS CA C 13 57.4650 0.20 . 1 . . . . . 289 LYS CA . 27614 1 634 . 1 1 128 128 LYS CB C 13 30.4850 0.20 . 1 . . . . . 289 LYS CB . 27614 1 635 . 1 1 128 128 LYS N N 15 120.6180 0.20 . 1 . . . . . 289 LYS N . 27614 1 636 . 1 1 129 129 VAL H H 1 7.7420 0.10 . 1 . . . . . 290 VAL H . 27614 1 637 . 1 1 129 129 VAL HA H 1 3.4070 0.10 . 1 . . . . . 290 VAL HA . 27614 1 638 . 1 1 129 129 VAL C C 13 176.6210 0.20 . 1 . . . . . 290 VAL C . 27614 1 639 . 1 1 129 129 VAL CA C 13 67.4670 0.20 . 1 . . . . . 290 VAL CA . 27614 1 640 . 1 1 129 129 VAL CB C 13 30.9460 0.20 . 1 . . . . . 290 VAL CB . 27614 1 641 . 1 1 129 129 VAL N N 15 118.1990 0.20 . 1 . . . . . 290 VAL N . 27614 1 642 . 1 1 130 130 LEU H H 1 7.3430 0.10 . 1 . . . . . 291 LEU H . 27614 1 643 . 1 1 130 130 LEU HA H 1 3.9080 0.10 . 1 . . . . . 291 LEU HA . 27614 1 644 . 1 1 130 130 LEU C C 13 178.7200 0.20 . 1 . . . . . 291 LEU C . 27614 1 645 . 1 1 130 130 LEU CA C 13 57.1120 0.20 . 1 . . . . . 291 LEU CA . 27614 1 646 . 1 1 130 130 LEU CB C 13 42.1580 0.20 . 1 . . . . . 291 LEU CB . 27614 1 647 . 1 1 130 130 LEU N N 15 115.8460 0.20 . 1 . . . . . 291 LEU N . 27614 1 648 . 1 1 131 131 GLU H H 1 7.7700 0.10 . 1 . . . . . 292 GLU H . 27614 1 649 . 1 1 131 131 GLU HA H 1 3.9610 0.10 . 1 . . . . . 292 GLU HA . 27614 1 650 . 1 1 131 131 GLU C C 13 178.7960 0.20 . 1 . . . . . 292 GLU C . 27614 1 651 . 1 1 131 131 GLU CA C 13 58.7120 0.20 . 1 . . . . . 292 GLU CA . 27614 1 652 . 1 1 131 131 GLU CB C 13 30.2140 0.20 . 1 . . . . . 292 GLU CB . 27614 1 653 . 1 1 131 131 GLU N N 15 117.6250 0.20 . 1 . . . . . 292 GLU N . 27614 1 654 . 1 1 132 132 LEU H H 1 7.9310 0.10 . 1 . . . . . 293 LEU H . 27614 1 655 . 1 1 132 132 LEU HA H 1 4.2770 0.10 . 1 . . . . . 293 LEU HA . 27614 1 656 . 1 1 132 132 LEU C C 13 178.1940 0.20 . 1 . . . . . 293 LEU C . 27614 1 657 . 1 1 132 132 LEU CA C 13 56.6870 0.20 . 1 . . . . . 293 LEU CA . 27614 1 658 . 1 1 132 132 LEU CB C 13 43.7480 0.20 . 1 . . . . . 293 LEU CB . 27614 1 659 . 1 1 132 132 LEU N N 15 117.4400 0.20 . 1 . . . . . 293 LEU N . 27614 1 660 . 1 1 133 133 GLU H H 1 8.7450 0.10 . 1 . . . . . 294 GLU H . 27614 1 661 . 1 1 133 133 GLU C C 13 172.1510 0.20 . 1 . . . . . 294 GLU C . 27614 1 662 . 1 1 133 133 GLU CA C 13 53.4000 0.20 . 1 . . . . . 294 GLU CA . 27614 1 663 . 1 1 133 133 GLU CB C 13 30.9860 0.20 . 1 . . . . . 294 GLU CB . 27614 1 664 . 1 1 133 133 GLU N N 15 120.0350 0.20 . 1 . . . . . 294 GLU N . 27614 1 665 . 1 1 134 134 PRO HA H 1 4.4980 0.10 . 1 . . . . . 295 PRO HA . 27614 1 666 . 1 1 134 134 PRO C C 13 179.0830 0.20 . 1 . . . . . 295 PRO C . 27614 1 667 . 1 1 134 134 PRO CA C 13 65.0350 0.20 . 1 . . . . . 295 PRO CA . 27614 1 668 . 1 1 134 134 PRO CB C 13 32.0500 0.20 . 1 . . . . . 295 PRO CB . 27614 1 669 . 1 1 135 135 SER H H 1 8.5850 0.10 . 1 . . . . . 296 SER H . 27614 1 670 . 1 1 135 135 SER HA H 1 4.5060 0.10 . 1 . . . . . 296 SER HA . 27614 1 671 . 1 1 135 135 SER C C 13 176.5580 0.20 . 1 . . . . . 296 SER C . 27614 1 672 . 1 1 135 135 SER CA C 13 60.8980 0.20 . 1 . . . . . 296 SER CA . 27614 1 673 . 1 1 135 135 SER CB C 13 62.5740 0.20 . 1 . . . . . 296 SER CB . 27614 1 674 . 1 1 135 135 SER N N 15 112.9350 0.20 . 1 . . . . . 296 SER N . 27614 1 675 . 1 1 136 136 MET H H 1 8.3880 0.10 . 1 . . . . . 297 MET H . 27614 1 676 . 1 1 136 136 MET HA H 1 4.8340 0.10 . 1 . . . . . 297 MET HA . 27614 1 677 . 1 1 136 136 MET C C 13 175.7780 0.20 . 1 . . . . . 297 MET C . 27614 1 678 . 1 1 136 136 MET CA C 13 55.8640 0.20 . 1 . . . . . 297 MET CA . 27614 1 679 . 1 1 136 136 MET CB C 13 31.7220 0.20 . 1 . . . . . 297 MET CB . 27614 1 680 . 1 1 136 136 MET N N 15 121.6980 0.20 . 1 . . . . . 297 MET N . 27614 1 681 . 1 1 137 137 GLN H H 1 7.5500 0.10 . 1 . . . . . 298 GLN H . 27614 1 682 . 1 1 137 137 GLN C C 13 176.8970 0.20 . 1 . . . . . 298 GLN C . 27614 1 683 . 1 1 137 137 GLN CA C 13 60.9530 0.20 . 1 . . . . . 298 GLN CA . 27614 1 684 . 1 1 137 137 GLN CB C 13 29.0110 0.20 . 1 . . . . . 298 GLN CB . 27614 1 685 . 1 1 137 137 GLN N N 15 119.3640 0.20 . 1 . . . . . 298 GLN N . 27614 1 686 . 1 1 138 138 LYS HA H 1 4.0330 0.10 . 1 . . . . . 299 LYS HA . 27614 1 687 . 1 1 138 138 LYS C C 13 179.2170 0.20 . 1 . . . . . 299 LYS C . 27614 1 688 . 1 1 138 138 LYS CA C 13 60.7560 0.20 . 1 . . . . . 299 LYS CA . 27614 1 689 . 1 1 138 138 LYS CB C 13 31.8700 0.20 . 1 . . . . . 299 LYS CB . 27614 1 690 . 1 1 139 139 ALA H H 1 7.9140 0.10 . 1 . . . . . 300 ALA H . 27614 1 691 . 1 1 139 139 ALA HA H 1 4.2350 0.10 . 1 . . . . . 300 ALA HA . 27614 1 692 . 1 1 139 139 ALA C C 13 180.7230 0.20 . 1 . . . . . 300 ALA C . 27614 1 693 . 1 1 139 139 ALA CA C 13 55.2010 0.20 . 1 . . . . . 300 ALA CA . 27614 1 694 . 1 1 139 139 ALA CB C 13 18.1710 0.20 . 1 . . . . . 300 ALA CB . 27614 1 695 . 1 1 139 139 ALA N N 15 123.0930 0.20 . 1 . . . . . 300 ALA N . 27614 1 696 . 1 1 140 140 VAL H H 1 8.5290 0.10 . 1 . . . . . 301 VAL H . 27614 1 697 . 1 1 140 140 VAL HA H 1 3.6580 0.10 . 1 . . . . . 301 VAL HA . 27614 1 698 . 1 1 140 140 VAL C C 13 177.5660 0.20 . 1 . . . . . 301 VAL C . 27614 1 699 . 1 1 140 140 VAL CA C 13 67.4480 0.20 . 1 . . . . . 301 VAL CA . 27614 1 700 . 1 1 140 140 VAL CB C 13 31.6940 0.20 . 1 . . . . . 301 VAL CB . 27614 1 701 . 1 1 140 140 VAL N N 15 118.5230 0.20 . 1 . . . . . 301 VAL N . 27614 1 702 . 1 1 141 141 ARG H H 1 8.6250 0.10 . 1 . . . . . 302 ARG H . 27614 1 703 . 1 1 141 141 ARG HA H 1 4.0290 0.10 . 1 . . . . . 302 ARG HA . 27614 1 704 . 1 1 141 141 ARG C C 13 179.2130 0.20 . 1 . . . . . 302 ARG C . 27614 1 705 . 1 1 141 141 ARG CA C 13 60.1560 0.20 . 1 . . . . . 302 ARG CA . 27614 1 706 . 1 1 141 141 ARG CB C 13 29.5700 0.20 . 1 . . . . . 302 ARG CB . 27614 1 707 . 1 1 141 141 ARG N N 15 119.2490 0.20 . 1 . . . . . 302 ARG N . 27614 1 708 . 1 1 142 142 ARG H H 1 7.7670 0.10 . 1 . . . . . 303 ARG H . 27614 1 709 . 1 1 142 142 ARG HA H 1 4.1570 0.10 . 1 . . . . . 303 ARG HA . 27614 1 710 . 1 1 142 142 ARG C C 13 178.6480 0.20 . 1 . . . . . 303 ARG C . 27614 1 711 . 1 1 142 142 ARG CA C 13 59.9970 0.20 . 1 . . . . . 303 ARG CA . 27614 1 712 . 1 1 142 142 ARG CB C 13 29.5860 0.20 . 1 . . . . . 303 ARG CB . 27614 1 713 . 1 1 142 142 ARG N N 15 119.4510 0.20 . 1 . . . . . 303 ARG N . 27614 1 714 . 1 1 143 143 GLU H H 1 8.0200 0.10 . 1 . . . . . 304 GLU H . 27614 1 715 . 1 1 143 143 GLU HA H 1 4.1620 0.10 . 1 . . . . . 304 GLU HA . 27614 1 716 . 1 1 143 143 GLU C C 13 180.0610 0.20 . 1 . . . . . 304 GLU C . 27614 1 717 . 1 1 143 143 GLU CA C 13 58.9270 0.20 . 1 . . . . . 304 GLU CA . 27614 1 718 . 1 1 143 143 GLU CB C 13 29.6030 0.20 . 1 . . . . . 304 GLU CB . 27614 1 719 . 1 1 143 143 GLU N N 15 119.1560 0.20 . 1 . . . . . 304 GLU N . 27614 1 720 . 1 1 144 144 LEU H H 1 8.7810 0.10 . 1 . . . . . 305 LEU H . 27614 1 721 . 1 1 144 144 LEU HA H 1 4.0590 0.10 . 1 . . . . . 305 LEU HA . 27614 1 722 . 1 1 144 144 LEU C C 13 179.5000 0.20 . 1 . . . . . 305 LEU C . 27614 1 723 . 1 1 144 144 LEU CA C 13 58.0660 0.20 . 1 . . . . . 305 LEU CA . 27614 1 724 . 1 1 144 144 LEU CB C 13 41.8780 0.20 . 1 . . . . . 305 LEU CB . 27614 1 725 . 1 1 144 144 LEU N N 15 120.5120 0.20 . 1 . . . . . 305 LEU N . 27614 1 726 . 1 1 145 145 ARG H H 1 7.9680 0.10 . 1 . . . . . 306 ARG H . 27614 1 727 . 1 1 145 145 ARG HA H 1 4.2010 0.10 . 1 . . . . . 306 ARG HA . 27614 1 728 . 1 1 145 145 ARG C C 13 178.9690 0.20 . 1 . . . . . 306 ARG C . 27614 1 729 . 1 1 145 145 ARG CA C 13 59.2350 0.20 . 1 . . . . . 306 ARG CA . 27614 1 730 . 1 1 145 145 ARG CB C 13 29.8250 0.20 . 1 . . . . . 306 ARG CB . 27614 1 731 . 1 1 145 145 ARG N N 15 120.9370 0.20 . 1 . . . . . 306 ARG N . 27614 1 732 . 1 1 146 146 LEU H H 1 8.0110 0.10 . 1 . . . . . 307 LEU H . 27614 1 733 . 1 1 146 146 LEU HA H 1 4.1310 0.10 . 1 . . . . . 307 LEU HA . 27614 1 734 . 1 1 146 146 LEU C C 13 179.9510 0.20 . 1 . . . . . 307 LEU C . 27614 1 735 . 1 1 146 146 LEU CA C 13 58.2010 0.20 . 1 . . . . . 307 LEU CA . 27614 1 736 . 1 1 146 146 LEU CB C 13 41.5890 0.20 . 1 . . . . . 307 LEU CB . 27614 1 737 . 1 1 146 146 LEU N N 15 120.3720 0.20 . 1 . . . . . 307 LEU N . 27614 1 738 . 1 1 147 147 LEU H H 1 8.1340 0.10 . 1 . . . . . 308 LEU H . 27614 1 739 . 1 1 147 147 LEU HA H 1 4.0460 0.10 . 1 . . . . . 308 LEU HA . 27614 1 740 . 1 1 147 147 LEU C C 13 178.3200 0.20 . 1 . . . . . 308 LEU C . 27614 1 741 . 1 1 147 147 LEU CA C 13 58.1260 0.20 . 1 . . . . . 308 LEU CA . 27614 1 742 . 1 1 147 147 LEU CB C 13 41.9470 0.20 . 1 . . . . . 308 LEU CB . 27614 1 743 . 1 1 147 147 LEU N N 15 120.8190 0.20 . 1 . . . . . 308 LEU N . 27614 1 744 . 1 1 148 148 GLU H H 1 8.1470 0.10 . 1 . . . . . 309 GLU H . 27614 1 745 . 1 1 148 148 GLU HA H 1 4.0540 0.10 . 1 . . . . . 309 GLU HA . 27614 1 746 . 1 1 148 148 GLU C C 13 179.5510 0.20 . 1 . . . . . 309 GLU C . 27614 1 747 . 1 1 148 148 GLU CA C 13 59.4370 0.20 . 1 . . . . . 309 GLU CA . 27614 1 748 . 1 1 148 148 GLU CB C 13 29.5140 0.20 . 1 . . . . . 309 GLU CB . 27614 1 749 . 1 1 148 148 GLU N N 15 118.9200 0.20 . 1 . . . . . 309 GLU N . 27614 1 750 . 1 1 149 149 ASN H H 1 8.1170 0.10 . 1 . . . . . 310 ASN H . 27614 1 751 . 1 1 149 149 ASN HA H 1 4.5740 0.10 . 1 . . . . . 310 ASN HA . 27614 1 752 . 1 1 149 149 ASN C C 13 177.5090 0.20 . 1 . . . . . 310 ASN C . 27614 1 753 . 1 1 149 149 ASN CA C 13 55.8560 0.20 . 1 . . . . . 310 ASN CA . 27614 1 754 . 1 1 149 149 ASN CB C 13 38.5090 0.20 . 1 . . . . . 310 ASN CB . 27614 1 755 . 1 1 149 149 ASN N N 15 117.8920 0.20 . 1 . . . . . 310 ASN N . 27614 1 756 . 1 1 150 150 ARG H H 1 8.2150 0.10 . 1 . . . . . 311 ARG H . 27614 1 757 . 1 1 150 150 ARG HA H 1 4.2660 0.10 . 1 . . . . . 311 ARG HA . 27614 1 758 . 1 1 150 150 ARG C C 13 179.0890 0.20 . 1 . . . . . 311 ARG C . 27614 1 759 . 1 1 150 150 ARG CA C 13 58.7800 0.20 . 1 . . . . . 311 ARG CA . 27614 1 760 . 1 1 150 150 ARG CB C 13 30.2730 0.20 . 1 . . . . . 311 ARG CB . 27614 1 761 . 1 1 150 150 ARG N N 15 120.4770 0.20 . 1 . . . . . 311 ARG N . 27614 1 762 . 1 1 151 151 MET H H 1 8.3420 0.10 . 1 . . . . . 312 MET H . 27614 1 763 . 1 1 151 151 MET HA H 1 4.5450 0.10 . 1 . . . . . 312 MET HA . 27614 1 764 . 1 1 151 151 MET C C 13 178.2900 0.20 . 1 . . . . . 312 MET C . 27614 1 765 . 1 1 151 151 MET CA C 13 56.3340 0.20 . 1 . . . . . 312 MET CA . 27614 1 766 . 1 1 151 151 MET CB C 13 30.9020 0.20 . 1 . . . . . 312 MET CB . 27614 1 767 . 1 1 151 151 MET N N 15 116.9320 0.20 . 1 . . . . . 312 MET N . 27614 1 768 . 1 1 152 152 ALA H H 1 7.8030 0.10 . 1 . . . . . 313 ALA H . 27614 1 769 . 1 1 152 152 ALA HA H 1 4.3320 0.10 . 1 . . . . . 313 ALA HA . 27614 1 770 . 1 1 152 152 ALA C C 13 178.7370 0.20 . 1 . . . . . 313 ALA C . 27614 1 771 . 1 1 152 152 ALA CA C 13 53.8530 0.20 . 1 . . . . . 313 ALA CA . 27614 1 772 . 1 1 152 152 ALA CB C 13 18.8780 0.20 . 1 . . . . . 313 ALA CB . 27614 1 773 . 1 1 152 152 ALA N N 15 122.0800 0.20 . 1 . . . . . 313 ALA N . 27614 1 774 . 1 1 153 153 GLU H H 1 7.8340 0.10 . 1 . . . . . 314 GLU H . 27614 1 775 . 1 1 153 153 GLU HA H 1 4.3590 0.10 . 1 . . . . . 314 GLU HA . 27614 1 776 . 1 1 153 153 GLU C C 13 176.6410 0.20 . 1 . . . . . 314 GLU C . 27614 1 777 . 1 1 153 153 GLU CA C 13 56.7100 0.20 . 1 . . . . . 314 GLU CA . 27614 1 778 . 1 1 153 153 GLU CB C 13 30.4300 0.20 . 1 . . . . . 314 GLU CB . 27614 1 779 . 1 1 153 153 GLU N N 15 117.1640 0.20 . 1 . . . . . 314 GLU N . 27614 1 780 . 1 1 154 154 LYS H H 1 7.7160 0.10 . 1 . . . . . 315 LYS H . 27614 1 781 . 1 1 154 154 LYS HA H 1 4.1580 0.10 . 1 . . . . . 315 LYS HA . 27614 1 782 . 1 1 154 154 LYS C C 13 175.6770 0.20 . 1 . . . . . 315 LYS C . 27614 1 783 . 1 1 154 154 LYS CA C 13 56.7400 0.20 . 1 . . . . . 315 LYS CA . 27614 1 784 . 1 1 154 154 LYS CB C 13 32.9910 0.20 . 1 . . . . . 315 LYS CB . 27614 1 785 . 1 1 154 154 LYS N N 15 121.2410 0.20 . 1 . . . . . 315 LYS N . 27614 1 786 . 1 1 155 155 GLN H H 1 7.7680 0.10 . 1 . . . . . 316 GLN H . 27614 1 787 . 1 1 155 155 GLN C C 13 180.7510 0.20 . 1 . . . . . 316 GLN C . 27614 1 788 . 1 1 155 155 GLN CA C 13 57.4650 0.20 . 1 . . . . . 316 GLN CA . 27614 1 789 . 1 1 155 155 GLN CB C 13 30.5100 0.20 . 1 . . . . . 316 GLN CB . 27614 1 790 . 1 1 155 155 GLN N N 15 127.1150 0.20 . 1 . . . . . 316 GLN N . 27614 1 stop_ save_