data_51090 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51090 _Entry.Title ; Sequence-specific 1H, 15N, and 13C chemical shift assignment of the acidic domain of the human oncoprotein MDMX ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-09-19 _Entry.Accession_date 2021-09-19 _Entry.Last_release_date 2021-09-26 _Entry.Original_release_date 2021-09-26 _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 Qinyan Song . . . 0000-0002-0810-8978 51090 2 Jan Rainey . K. . . 51090 3 Xiang-Qin Liu . . . . 51090 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51090 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 343 51090 '15N chemical shifts' 116 51090 '1H chemical shifts' 116 51090 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-05-27 2021-09-19 update BMRB 'update entry citation' 51090 1 . . 2022-04-13 2021-09-19 original author 'original release' 51090 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51090 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35359247 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 15N and 13C backbone resonance assignments of the acidic domain of the human MDMX protein ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 16 _Citation.Journal_issue 1 _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 171 _Citation.Page_last 178 _Citation.Year 2022 _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 Qinyan Song . . . . 51090 1 2 Xiang-Qin Liu . . . . 51090 1 3 Jan Rainey . K. . . 51090 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51090 _Assembly.ID 1 _Assembly.Name 'acidic domain of human MDMX' _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 'acidic domain of human MDMX' 1 $entity_1 . . yes native no no . . . 51090 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51090 _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 ; DETSRLDLGFEEWDVAGLPW WFLGNLRSNYTPRSNGSTDL QTNQDVGTAIVSDTTDDLWF LNESVSEQLGVGIKVEAADT EQTSEEVGKVSDKKVIEVGK NDDLEDSKSLSDDTDVEVTS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Acidic domain of human MDMX containing residues that span 181-300 (120 residues).' _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 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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_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 1 181 ASP . 51090 1 2 182 GLU . 51090 1 3 183 THR . 51090 1 4 184 SER . 51090 1 5 185 ARG . 51090 1 6 186 LEU . 51090 1 7 187 ASP . 51090 1 8 188 LEU . 51090 1 9 189 GLY . 51090 1 10 190 PHE . 51090 1 11 191 GLU . 51090 1 12 192 GLU . 51090 1 13 193 TRP . 51090 1 14 194 ASP . 51090 1 15 195 VAL . 51090 1 16 196 ALA . 51090 1 17 197 GLY . 51090 1 18 198 LEU . 51090 1 19 199 PRO . 51090 1 20 200 TRP . 51090 1 21 201 TRP . 51090 1 22 202 PHE . 51090 1 23 203 LEU . 51090 1 24 204 GLY . 51090 1 25 205 ASN . 51090 1 26 206 LEU . 51090 1 27 207 ARG . 51090 1 28 208 SER . 51090 1 29 209 ASN . 51090 1 30 210 TYR . 51090 1 31 211 THR . 51090 1 32 212 PRO . 51090 1 33 213 ARG . 51090 1 34 214 SER . 51090 1 35 215 ASN . 51090 1 36 216 GLY . 51090 1 37 217 SER . 51090 1 38 218 THR . 51090 1 39 219 ASP . 51090 1 40 220 LEU . 51090 1 41 221 GLN . 51090 1 42 222 THR . 51090 1 43 223 ASN . 51090 1 44 224 GLN . 51090 1 45 225 ASP . 51090 1 46 226 VAL . 51090 1 47 227 GLY . 51090 1 48 228 THR . 51090 1 49 229 ALA . 51090 1 50 230 ILE . 51090 1 51 231 VAL . 51090 1 52 232 SER . 51090 1 53 233 ASP . 51090 1 54 234 THR . 51090 1 55 235 THR . 51090 1 56 236 ASP . 51090 1 57 237 ASP . 51090 1 58 238 LEU . 51090 1 59 239 TRP . 51090 1 60 240 PHE . 51090 1 61 241 LEU . 51090 1 62 242 ASN . 51090 1 63 243 GLU . 51090 1 64 244 SER . 51090 1 65 245 VAL . 51090 1 66 246 SER . 51090 1 67 247 GLU . 51090 1 68 248 GLN . 51090 1 69 249 LEU . 51090 1 70 250 GLY . 51090 1 71 251 VAL . 51090 1 72 252 GLY . 51090 1 73 253 ILE . 51090 1 74 254 LYS . 51090 1 75 255 VAL . 51090 1 76 256 GLU . 51090 1 77 257 ALA . 51090 1 78 258 ALA . 51090 1 79 259 ASP . 51090 1 80 260 THR . 51090 1 81 261 GLU . 51090 1 82 262 GLN . 51090 1 83 263 THR . 51090 1 84 264 SER . 51090 1 85 265 GLU . 51090 1 86 266 GLU . 51090 1 87 267 VAL . 51090 1 88 268 GLY . 51090 1 89 269 LYS . 51090 1 90 270 VAL . 51090 1 91 271 SER . 51090 1 92 272 ASP . 51090 1 93 273 LYS . 51090 1 94 274 LYS . 51090 1 95 275 VAL . 51090 1 96 276 ILE . 51090 1 97 277 GLU . 51090 1 98 278 VAL . 51090 1 99 279 GLY . 51090 1 100 280 LYS . 51090 1 101 281 ASN . 51090 1 102 282 ASP . 51090 1 103 283 ASP . 51090 1 104 284 LEU . 51090 1 105 285 GLU . 51090 1 106 286 ASP . 51090 1 107 287 SER . 51090 1 108 288 LYS . 51090 1 109 289 SER . 51090 1 110 290 LEU . 51090 1 111 291 SER . 51090 1 112 292 ASP . 51090 1 113 293 ASP . 51090 1 114 294 THR . 51090 1 115 295 ASP . 51090 1 116 296 VAL . 51090 1 117 297 GLU . 51090 1 118 298 VAL . 51090 1 119 299 THR . 51090 1 120 300 SER . 51090 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 . ASP 1 1 51090 1 . GLU 2 2 51090 1 . THR 3 3 51090 1 . SER 4 4 51090 1 . ARG 5 5 51090 1 . LEU 6 6 51090 1 . ASP 7 7 51090 1 . LEU 8 8 51090 1 . GLY 9 9 51090 1 . PHE 10 10 51090 1 . GLU 11 11 51090 1 . GLU 12 12 51090 1 . TRP 13 13 51090 1 . ASP 14 14 51090 1 . VAL 15 15 51090 1 . ALA 16 16 51090 1 . GLY 17 17 51090 1 . LEU 18 18 51090 1 . PRO 19 19 51090 1 . TRP 20 20 51090 1 . TRP 21 21 51090 1 . PHE 22 22 51090 1 . LEU 23 23 51090 1 . GLY 24 24 51090 1 . ASN 25 25 51090 1 . LEU 26 26 51090 1 . ARG 27 27 51090 1 . SER 28 28 51090 1 . ASN 29 29 51090 1 . TYR 30 30 51090 1 . THR 31 31 51090 1 . PRO 32 32 51090 1 . ARG 33 33 51090 1 . SER 34 34 51090 1 . ASN 35 35 51090 1 . GLY 36 36 51090 1 . SER 37 37 51090 1 . THR 38 38 51090 1 . ASP 39 39 51090 1 . LEU 40 40 51090 1 . GLN 41 41 51090 1 . THR 42 42 51090 1 . ASN 43 43 51090 1 . GLN 44 44 51090 1 . ASP 45 45 51090 1 . VAL 46 46 51090 1 . GLY 47 47 51090 1 . THR 48 48 51090 1 . ALA 49 49 51090 1 . ILE 50 50 51090 1 . VAL 51 51 51090 1 . SER 52 52 51090 1 . ASP 53 53 51090 1 . THR 54 54 51090 1 . THR 55 55 51090 1 . ASP 56 56 51090 1 . ASP 57 57 51090 1 . LEU 58 58 51090 1 . TRP 59 59 51090 1 . PHE 60 60 51090 1 . LEU 61 61 51090 1 . ASN 62 62 51090 1 . GLU 63 63 51090 1 . SER 64 64 51090 1 . VAL 65 65 51090 1 . SER 66 66 51090 1 . GLU 67 67 51090 1 . GLN 68 68 51090 1 . LEU 69 69 51090 1 . GLY 70 70 51090 1 . VAL 71 71 51090 1 . GLY 72 72 51090 1 . ILE 73 73 51090 1 . LYS 74 74 51090 1 . VAL 75 75 51090 1 . GLU 76 76 51090 1 . ALA 77 77 51090 1 . ALA 78 78 51090 1 . ASP 79 79 51090 1 . THR 80 80 51090 1 . GLU 81 81 51090 1 . GLN 82 82 51090 1 . THR 83 83 51090 1 . SER 84 84 51090 1 . GLU 85 85 51090 1 . GLU 86 86 51090 1 . VAL 87 87 51090 1 . GLY 88 88 51090 1 . LYS 89 89 51090 1 . VAL 90 90 51090 1 . SER 91 91 51090 1 . ASP 92 92 51090 1 . LYS 93 93 51090 1 . LYS 94 94 51090 1 . VAL 95 95 51090 1 . ILE 96 96 51090 1 . GLU 97 97 51090 1 . VAL 98 98 51090 1 . GLY 99 99 51090 1 . LYS 100 100 51090 1 . ASN 101 101 51090 1 . ASP 102 102 51090 1 . ASP 103 103 51090 1 . LEU 104 104 51090 1 . GLU 105 105 51090 1 . ASP 106 106 51090 1 . SER 107 107 51090 1 . LYS 108 108 51090 1 . SER 109 109 51090 1 . LEU 110 110 51090 1 . SER 111 111 51090 1 . ASP 112 112 51090 1 . ASP 113 113 51090 1 . THR 114 114 51090 1 . ASP 115 115 51090 1 . VAL 116 116 51090 1 . GLU 117 117 51090 1 . VAL 118 118 51090 1 . THR 119 119 51090 1 . SER 120 120 51090 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 51090 _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 . . . . . . . . . . . . . 51090 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 51090 _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 BL21(DE3) . . plasmid . . pET-30a . . . 51090 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51090 _Sample.ID 1 _Sample.Name 'Acidic domain of human MDMX' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 'Acidic domain of human MDMX' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 380 . . uM . . . . 51090 1 2 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 51090 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51090 1 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . '% v/v' . . . . 51090 1 5 'sodium chloride' 'natural abundance' . . . . . . 40 . . mM . . . . 51090 1 6 D2O '[U-99% 2H]' . . . . . . 10 . . '% v/v' . . . . 51090 1 7 H2O 'natural abundance' . . . . . . 90 . . '% v/v' . . . . 51090 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 51090 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'sample condition' _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' 82 . mM 51090 1 pH 7.0 0.1 pH 51090 1 pressure 1 . atm 51090 1 temperature 293 . K 51090 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51090 _Software.ID 1 _Software.Type . _Software.Name NMRbox _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51090 1 'data analysis' . 51090 1 'peak picking' . 51090 1 processing . 51090 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51090 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51090 2 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 51090 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AVIIIHD 800 MHz NMR Spectrometer' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 51090 _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 '1D 1H' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51090 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51090 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51090 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51090 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51090 1 6 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51090 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 51090 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Chemical shift reference' _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 . . . . . 51090 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51090 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51090 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 51090 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Residue 181-300 of the acidic domain of human MDMX' _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 2 '2D 1H-15N HSQC' . . . 51090 1 3 '3D HNCACB' . . . 51090 1 4 '3D CBCA(CO)NH' . . . 51090 1 5 '3D HNCO' . . . 51090 1 6 '3D HN(CA)CO' . . . 51090 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 1 $software_1 . . 51090 1 2 $software_2 . . 51090 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 GLU C C 13 176.75 0.0254 . . . . . . . 182 GLU C . 51090 1 2 . 1 . 1 3 3 THR H H 1 8.35 0.0002 . . . . . . . 183 THR H . 51090 1 3 . 1 . 1 3 3 THR C C 13 174.84 0.0254 . . . . . . . 183 THR C . 51090 1 4 . 1 . 1 3 3 THR CA C 13 62.58 0.0683 . . . . . . . 183 THR CA . 51090 1 5 . 1 . 1 3 3 THR CB C 13 69.76 0.0683 . . . . . . . 183 THR CB . 51090 1 6 . 1 . 1 3 3 THR N N 15 115.19 0.0406 . . . . . . . 183 THR N . 51090 1 7 . 1 . 1 4 4 SER H H 1 8.34 0.0010 . . . . . . . 184 SER H . 51090 1 8 . 1 . 1 4 4 SER C C 13 174.52 0.0254 . . . . . . . 184 SER C . 51090 1 9 . 1 . 1 4 4 SER CA C 13 58.6 0.0683 . . . . . . . 184 SER CA . 51090 1 10 . 1 . 1 4 4 SER CB C 13 63.79 0.0683 . . . . . . . 184 SER CB . 51090 1 11 . 1 . 1 4 4 SER N N 15 118.58 0.0434 . . . . . . . 184 SER N . 51090 1 12 . 1 . 1 5 5 ARG H H 1 8.35 0.0011 . . . . . . . 185 ARG H . 51090 1 13 . 1 . 1 5 5 ARG C C 13 173.22 0.0254 . . . . . . . 185 ARG C . 51090 1 14 . 1 . 1 5 5 ARG CA C 13 56.31 0.0683 . . . . . . . 185 ARG CA . 51090 1 15 . 1 . 1 5 5 ARG CB C 13 30.81 0.0683 . . . . . . . 185 ARG CB . 51090 1 16 . 1 . 1 5 5 ARG N N 15 123.14 0.0158 . . . . . . . 185 ARG N . 51090 1 17 . 1 . 1 6 6 LEU H H 1 8.25 0.0017 . . . . . . . 186 LEU H . 51090 1 18 . 1 . 1 6 6 LEU C C 13 177.05 0.0254 . . . . . . . 186 LEU C . 51090 1 19 . 1 . 1 6 6 LEU CA C 13 55.45 0.0683 . . . . . . . 186 LEU CA . 51090 1 20 . 1 . 1 6 6 LEU CB C 13 42.39 0.0683 . . . . . . . 186 LEU CB . 51090 1 21 . 1 . 1 6 6 LEU N N 15 122.98 0.0194 . . . . . . . 186 LEU N . 51090 1 22 . 1 . 1 7 7 ASP H H 1 8.32 0.0009 . . . . . . . 187 ASP H . 51090 1 23 . 1 . 1 7 7 ASP C C 13 176.14 0.0254 . . . . . . . 187 ASP C . 51090 1 24 . 1 . 1 7 7 ASP CA C 13 54.22 0.0683 . . . . . . . 187 ASP CA . 51090 1 25 . 1 . 1 7 7 ASP CB C 13 40.95 0.0683 . . . . . . . 187 ASP CB . 51090 1 26 . 1 . 1 7 7 ASP N N 15 120.73 0.0344 . . . . . . . 187 ASP N . 51090 1 27 . 1 . 1 8 8 LEU H H 1 8.06 0.0007 . . . . . . . 188 LEU H . 51090 1 28 . 1 . 1 8 8 LEU C C 13 177.82 0.0254 . . . . . . . 188 LEU C . 51090 1 29 . 1 . 1 8 8 LEU CA C 13 55.37 0.0683 . . . . . . . 188 LEU CA . 51090 1 30 . 1 . 1 8 8 LEU CB C 13 42.33 0.0683 . . . . . . . 188 LEU CB . 51090 1 31 . 1 . 1 8 8 LEU N N 15 122.13 0.0459 . . . . . . . 188 LEU N . 51090 1 32 . 1 . 1 9 9 GLY H H 1 8.39 0.0007 . . . . . . . 189 GLY H . 51090 1 33 . 1 . 1 9 9 GLY C C 13 174.03 0.0254 . . . . . . . 189 GLY C . 51090 1 34 . 1 . 1 9 9 GLY CA C 13 45.37 0.0683 . . . . . . . 189 GLY CA . 51090 1 35 . 1 . 1 9 9 GLY N N 15 108.9 0.0278 . . . . . . . 189 GLY N . 51090 1 36 . 1 . 1 10 10 PHE H H 1 7.9 0.0005 . . . . . . . 190 PHE H . 51090 1 37 . 1 . 1 10 10 PHE C C 13 175.82 0.0254 . . . . . . . 190 PHE C . 51090 1 38 . 1 . 1 10 10 PHE CA C 13 57.79 0.0683 . . . . . . . 190 PHE CA . 51090 1 39 . 1 . 1 10 10 PHE CB C 13 39.54 0.0683 . . . . . . . 190 PHE CB . 51090 1 40 . 1 . 1 10 10 PHE N N 15 119.39 0.0415 . . . . . . . 190 PHE N . 51090 1 41 . 1 . 1 11 11 GLU H H 1 8.48 0.0011 . . . . . . . 191 GLU H . 51090 1 42 . 1 . 1 11 11 GLU C C 13 176.55 0.0254 . . . . . . . 191 GLU C . 51090 1 43 . 1 . 1 11 11 GLU CA C 13 56.92 0.0683 . . . . . . . 191 GLU CA . 51090 1 44 . 1 . 1 11 11 GLU CB C 13 29.97 0.0683 . . . . . . . 191 GLU CB . 51090 1 45 . 1 . 1 11 11 GLU N N 15 121.76 0.0313 . . . . . . . 191 GLU N . 51090 1 46 . 1 . 1 12 12 GLU H H 1 8.25 0.0008 . . . . . . . 192 GLU H . 51090 1 47 . 1 . 1 12 12 GLU C C 13 176.27 0.0254 . . . . . . . 192 GLU C . 51090 1 48 . 1 . 1 12 12 GLU CA C 13 56.97 0.0683 . . . . . . . 192 GLU CA . 51090 1 49 . 1 . 1 12 12 GLU CB C 13 30.07 0.0683 . . . . . . . 192 GLU CB . 51090 1 50 . 1 . 1 12 12 GLU N N 15 120.6 0.0410 . . . . . . . 192 GLU N . 51090 1 51 . 1 . 1 13 13 TRP H H 1 7.85 0.0009 . . . . . . . 193 TRP H . 51090 1 52 . 1 . 1 13 13 TRP C C 13 175.97 0.0254 . . . . . . . 193 TRP C . 51090 1 53 . 1 . 1 13 13 TRP CA C 13 57.01 0.0683 . . . . . . . 193 TRP CA . 51090 1 54 . 1 . 1 13 13 TRP CB C 13 29.8 0.0683 . . . . . . . 193 TRP CB . 51090 1 55 . 1 . 1 13 13 TRP N N 15 120.44 0.0401 . . . . . . . 193 TRP N . 51090 1 56 . 1 . 1 14 14 ASP H H 1 8.16 0.0020 . . . . . . . 194 ASP H . 51090 1 57 . 1 . 1 14 14 ASP C C 13 176.71 0.0254 . . . . . . . 194 ASP C . 51090 1 58 . 1 . 1 14 14 ASP CA C 13 54.3 0.0683 . . . . . . . 194 ASP CA . 51090 1 59 . 1 . 1 14 14 ASP CB C 13 41.02 0.0683 . . . . . . . 194 ASP CB . 51090 1 60 . 1 . 1 14 14 ASP N N 15 121.93 0.0351 . . . . . . . 194 ASP N . 51090 1 61 . 1 . 1 15 15 VAL H H 1 7.88 0.0007 . . . . . . . 195 VAL H . 51090 1 62 . 1 . 1 15 15 VAL C C 13 176.37 0.0254 . . . . . . . 195 VAL C . 51090 1 63 . 1 . 1 15 15 VAL CA C 13 62.88 0.0683 . . . . . . . 195 VAL CA . 51090 1 64 . 1 . 1 15 15 VAL CB C 13 32.3 0.0683 . . . . . . . 195 VAL CB . 51090 1 65 . 1 . 1 15 15 VAL N N 15 119.68 0.0377 . . . . . . . 195 VAL N . 51090 1 66 . 1 . 1 16 16 ALA H H 1 8.18 0.0009 . . . . . . . 196 ALA H . 51090 1 67 . 1 . 1 16 16 ALA C C 13 178.26 0.0254 . . . . . . . 196 ALA C . 51090 1 68 . 1 . 1 16 16 ALA CA C 13 53.07 0.0683 . . . . . . . 196 ALA CA . 51090 1 69 . 1 . 1 16 16 ALA CB C 13 18.93 0.0683 . . . . . . . 196 ALA CB . 51090 1 70 . 1 . 1 16 16 ALA N N 15 124.79 0.0395 . . . . . . . 196 ALA N . 51090 1 71 . 1 . 1 17 17 GLY H H 1 8.07 0.0003 . . . . . . . 197 GLY H . 51090 1 72 . 1 . 1 17 17 GLY C C 13 173.87 0.0254 . . . . . . . 197 GLY C . 51090 1 73 . 1 . 1 17 17 GLY CA C 13 45.13 0.0683 . . . . . . . 197 GLY CA . 51090 1 74 . 1 . 1 17 17 GLY N N 15 107.06 0.0322 . . . . . . . 197 GLY N . 51090 1 75 . 1 . 1 18 18 LEU H H 1 7.71 0.0006 . . . . . . . 198 LEU H . 51090 1 76 . 1 . 1 18 18 LEU C C 13 174.87 0.0254 . . . . . . . 198 LEU C . 51090 1 77 . 1 . 1 18 18 LEU CA C 13 52.84 0.0683 . . . . . . . 198 LEU CA . 51090 1 78 . 1 . 1 18 18 LEU CB C 13 41.63 0.0683 . . . . . . . 198 LEU CB . 51090 1 79 . 1 . 1 18 18 LEU N N 15 122.02 0.0428 . . . . . . . 198 LEU N . 51090 1 80 . 1 . 1 19 19 PRO C C 13 177.93 0.0254 . . . . . . . 199 PRO C . 51090 1 81 . 1 . 1 19 19 PRO CA C 13 62.65 0.0683 . . . . . . . 199 PRO CA . 51090 1 82 . 1 . 1 20 20 TRP H H 1 7.96 0.0027 . . . . . . . 200 TRP H . 51090 1 83 . 1 . 1 20 20 TRP C C 13 176.93 0.0254 . . . . . . . 200 TRP C . 51090 1 84 . 1 . 1 20 20 TRP CA C 13 58.65 0.0683 . . . . . . . 200 TRP CA . 51090 1 85 . 1 . 1 20 20 TRP N N 15 120.38 0.0331 . . . . . . . 200 TRP N . 51090 1 86 . 1 . 1 21 21 TRP H H 1 6.48 0.0019 . . . . . . . 201 TRP H . 51090 1 87 . 1 . 1 21 21 TRP C C 13 176.38 0.0254 . . . . . . . 201 TRP C . 51090 1 88 . 1 . 1 21 21 TRP CA C 13 57.29 0.0683 . . . . . . . 201 TRP CA . 51090 1 89 . 1 . 1 21 21 TRP CB C 13 27.62 0.0683 . . . . . . . 201 TRP CB . 51090 1 90 . 1 . 1 21 21 TRP N N 15 117.95 0.0422 . . . . . . . 201 TRP N . 51090 1 91 . 1 . 1 22 22 PHE H H 1 7.21 0.0014 . . . . . . . 202 PHE H . 51090 1 92 . 1 . 1 22 22 PHE C C 13 176 0.0254 . . . . . . . 202 PHE C . 51090 1 93 . 1 . 1 22 22 PHE CA C 13 58.78 0.0683 . . . . . . . 202 PHE CA . 51090 1 94 . 1 . 1 22 22 PHE CB C 13 39.3 0.0683 . . . . . . . 202 PHE CB . 51090 1 95 . 1 . 1 22 22 PHE N N 15 121.54 0.0374 . . . . . . . 202 PHE N . 51090 1 96 . 1 . 1 23 23 LEU H H 1 7.77 0.0007 . . . . . . . 203 LEU H . 51090 1 97 . 1 . 1 23 23 LEU C C 13 177.97 0.0254 . . . . . . . 203 LEU C . 51090 1 98 . 1 . 1 23 23 LEU CA C 13 55.8 0.0683 . . . . . . . 203 LEU CA . 51090 1 99 . 1 . 1 23 23 LEU CB C 13 42.03 0.0683 . . . . . . . 203 LEU CB . 51090 1 100 . 1 . 1 23 23 LEU N N 15 121.39 0.0341 . . . . . . . 203 LEU N . 51090 1 101 . 1 . 1 24 24 GLY H H 1 7.86 0.0011 . . . . . . . 204 GLY H . 51090 1 102 . 1 . 1 24 24 GLY C C 13 174.3 0.0254 . . . . . . . 204 GLY C . 51090 1 103 . 1 . 1 24 24 GLY CA C 13 45.92 0.0683 . . . . . . . 204 GLY CA . 51090 1 104 . 1 . 1 24 24 GLY N N 15 107.47 0.0492 . . . . . . . 204 GLY N . 51090 1 105 . 1 . 1 25 25 ASN H H 1 8.09 0.0013 . . . . . . . 205 ASN H . 51090 1 106 . 1 . 1 25 25 ASN C C 13 175.48 0.0254 . . . . . . . 205 ASN C . 51090 1 107 . 1 . 1 25 25 ASN CA C 13 53.62 0.0683 . . . . . . . 205 ASN CA . 51090 1 108 . 1 . 1 25 25 ASN CB C 13 38.83 0.0683 . . . . . . . 205 ASN CB . 51090 1 109 . 1 . 1 25 25 ASN N N 15 118.46 0.0382 . . . . . . . 205 ASN N . 51090 1 110 . 1 . 1 26 26 LEU H H 1 8.05 0.0008 . . . . . . . 206 LEU H . 51090 1 111 . 1 . 1 26 26 LEU C C 13 177.6 0.0254 . . . . . . . 206 LEU C . 51090 1 112 . 1 . 1 26 26 LEU CA C 13 55.79 0.0683 . . . . . . . 206 LEU CA . 51090 1 113 . 1 . 1 26 26 LEU CB C 13 42.25 0.0683 . . . . . . . 206 LEU CB . 51090 1 114 . 1 . 1 26 26 LEU N N 15 121.42 0.0333 . . . . . . . 206 LEU N . 51090 1 115 . 1 . 1 27 27 ARG H H 1 8.17 0.0009 . . . . . . . 207 ARG H . 51090 1 116 . 1 . 1 27 27 ARG C C 13 176.62 0.0254 . . . . . . . 207 ARG C . 51090 1 117 . 1 . 1 27 27 ARG CA C 13 56.59 0.0683 . . . . . . . 207 ARG CA . 51090 1 118 . 1 . 1 27 27 ARG CB C 13 30.62 0.0683 . . . . . . . 207 ARG CB . 51090 1 119 . 1 . 1 27 27 ARG N N 15 120.29 0.0366 . . . . . . . 207 ARG N . 51090 1 120 . 1 . 1 28 28 SER H H 1 8.15 0.0001 . . . . . . . 208 SER H . 51090 1 121 . 1 . 1 28 28 SER C C 13 173.37 0.0254 . . . . . . . 208 SER C . 51090 1 122 . 1 . 1 28 28 SER CA C 13 58.8 0.0683 . . . . . . . 208 SER CA . 51090 1 123 . 1 . 1 28 28 SER CB C 13 63.81 0.0683 . . . . . . . 208 SER CB . 51090 1 124 . 1 . 1 28 28 SER N N 15 115.61 0.0019 . . . . . . . 208 SER N . 51090 1 125 . 1 . 1 29 29 ASN H H 1 8.3 0.0019 . . . . . . . 209 ASN H . 51090 1 126 . 1 . 1 29 29 ASN C C 13 174.55 0.0254 . . . . . . . 209 ASN C . 51090 1 127 . 1 . 1 29 29 ASN CA C 13 53.36 0.0683 . . . . . . . 209 ASN CA . 51090 1 128 . 1 . 1 29 29 ASN CB C 13 38.83 0.0683 . . . . . . . 209 ASN CB . 51090 1 129 . 1 . 1 29 29 ASN N N 15 119.78 0.0438 . . . . . . . 209 ASN N . 51090 1 130 . 1 . 1 30 30 TYR H H 1 8.03 0.0007 . . . . . . . 210 TYR H . 51090 1 131 . 1 . 1 30 30 TYR C C 13 175.18 0.0254 . . . . . . . 210 TYR C . 51090 1 132 . 1 . 1 30 30 TYR CA C 13 58.11 0.0683 . . . . . . . 210 TYR CA . 51090 1 133 . 1 . 1 30 30 TYR CB C 13 38.98 0.0683 . . . . . . . 210 TYR CB . 51090 1 134 . 1 . 1 30 30 TYR N N 15 120.72 0.0426 . . . . . . . 210 TYR N . 51090 1 135 . 1 . 1 31 31 THR H H 1 7.94 0.0006 . . . . . . . 211 THR H . 51090 1 136 . 1 . 1 31 31 THR C C 13 178.5 0.0254 . . . . . . . 211 THR C . 51090 1 137 . 1 . 1 31 31 THR CA C 13 59.37 0.0683 . . . . . . . 211 THR CA . 51090 1 138 . 1 . 1 31 31 THR CB C 13 70.16 0.0683 . . . . . . . 211 THR CB . 51090 1 139 . 1 . 1 31 31 THR N N 15 120.2 0.0314 . . . . . . . 211 THR N . 51090 1 140 . 1 . 1 32 32 PRO C C 13 176.76 0.0254 . . . . . . . 212 PRO C . 51090 1 141 . 1 . 1 32 32 PRO CA C 13 63.02 0.0683 . . . . . . . 212 PRO CA . 51090 1 142 . 1 . 1 32 32 PRO CB C 13 32.15 0.0683 . . . . . . . 212 PRO CB . 51090 1 143 . 1 . 1 33 33 ARG H H 1 8.41 0.0014 . . . . . . . 213 ARG H . 51090 1 144 . 1 . 1 33 33 ARG C C 13 176.5 0.0254 . . . . . . . 213 ARG C . 51090 1 145 . 1 . 1 33 33 ARG CA C 13 56.13 0.0683 . . . . . . . 213 ARG CA . 51090 1 146 . 1 . 1 33 33 ARG CB C 13 30.95 0.0683 . . . . . . . 213 ARG CB . 51090 1 147 . 1 . 1 33 33 ARG N N 15 121.26 0.0341 . . . . . . . 213 ARG N . 51090 1 148 . 1 . 1 34 34 SER H H 1 8.39 0.0014 . . . . . . . 214 SER H . 51090 1 149 . 1 . 1 34 34 SER C C 13 174.5 0.0254 . . . . . . . 214 SER C . 51090 1 150 . 1 . 1 34 34 SER CA C 13 58.26 0.0683 . . . . . . . 214 SER CA . 51090 1 151 . 1 . 1 34 34 SER CB C 13 63.95 0.0683 . . . . . . . 214 SER CB . 51090 1 152 . 1 . 1 34 34 SER N N 15 116.98 0.0361 . . . . . . . 214 SER N . 51090 1 153 . 1 . 1 35 35 ASN H H 1 8.57 0.0016 . . . . . . . 215 ASN H . 51090 1 154 . 1 . 1 35 35 ASN C C 13 175.79 0.0254 . . . . . . . 215 ASN C . 51090 1 155 . 1 . 1 35 35 ASN CA C 13 53.4 0.0683 . . . . . . . 215 ASN CA . 51090 1 156 . 1 . 1 35 35 ASN CB C 13 38.86 0.0683 . . . . . . . 215 ASN CB . 51090 1 157 . 1 . 1 35 35 ASN N N 15 121.22 0.0280 . . . . . . . 215 ASN N . 51090 1 158 . 1 . 1 36 36 GLY H H 1 8.42 0.0003 . . . . . . . 216 GLY H . 51090 1 159 . 1 . 1 36 36 GLY C C 13 174.31 0.0254 . . . . . . . 216 GLY C . 51090 1 160 . 1 . 1 36 36 GLY CA C 13 45.47 0.0683 . . . . . . . 216 GLY CA . 51090 1 161 . 1 . 1 36 36 GLY N N 15 109.31 0.0395 . . . . . . . 216 GLY N . 51090 1 162 . 1 . 1 37 37 SER H H 1 8.24 0.0009 . . . . . . . 217 SER H . 51090 1 163 . 1 . 1 37 37 SER C C 13 175.13 0.0254 . . . . . . . 217 SER C . 51090 1 164 . 1 . 1 37 37 SER CA C 13 58.54 0.0683 . . . . . . . 217 SER CA . 51090 1 165 . 1 . 1 37 37 SER CB C 13 63.95 0.0683 . . . . . . . 217 SER CB . 51090 1 166 . 1 . 1 37 37 SER N N 15 115.7 0.0496 . . . . . . . 217 SER N . 51090 1 167 . 1 . 1 38 38 THR H H 1 8.28 0.0014 . . . . . . . 218 THR H . 51090 1 168 . 1 . 1 38 38 THR C C 13 174.38 0.0254 . . . . . . . 218 THR C . 51090 1 169 . 1 . 1 38 38 THR CA C 13 62.08 0.0683 . . . . . . . 218 THR CA . 51090 1 170 . 1 . 1 38 38 THR CB C 13 69.72 0.0683 . . . . . . . 218 THR CB . 51090 1 171 . 1 . 1 38 38 THR N N 15 115.46 0.0336 . . . . . . . 218 THR N . 51090 1 172 . 1 . 1 39 39 ASP H H 1 8.32 0.0002 . . . . . . . 219 ASP H . 51090 1 173 . 1 . 1 39 39 ASP C C 13 176.18 0.0254 . . . . . . . 219 ASP C . 51090 1 174 . 1 . 1 39 39 ASP CA C 13 54.56 0.0683 . . . . . . . 219 ASP CA . 51090 1 175 . 1 . 1 39 39 ASP CB C 13 41.09 0.0683 . . . . . . . 219 ASP CB . 51090 1 176 . 1 . 1 39 39 ASP N N 15 122.72 0.0377 . . . . . . . 219 ASP N . 51090 1 177 . 1 . 1 40 40 LEU H H 1 8.18 0.0009 . . . . . . . 220 LEU H . 51090 1 178 . 1 . 1 40 40 LEU C C 13 177.52 0.0254 . . . . . . . 220 LEU C . 51090 1 179 . 1 . 1 40 40 LEU CA C 13 55.47 0.0683 . . . . . . . 220 LEU CA . 51090 1 180 . 1 . 1 40 40 LEU CB C 13 42.26 0.0683 . . . . . . . 220 LEU CB . 51090 1 181 . 1 . 1 40 40 LEU N N 15 122.35 0.0376 . . . . . . . 220 LEU N . 51090 1 182 . 1 . 1 41 41 GLN H H 1 8.41 0.0020 . . . . . . . 221 GLN H . 51090 1 183 . 1 . 1 41 41 GLN C C 13 176.32 0.0254 . . . . . . . 221 GLN C . 51090 1 184 . 1 . 1 41 41 GLN CA C 13 56.02 0.0683 . . . . . . . 221 GLN CA . 51090 1 185 . 1 . 1 41 41 GLN CB C 13 29.39 0.0683 . . . . . . . 221 GLN CB . 51090 1 186 . 1 . 1 41 41 GLN N N 15 120.83 0.0631 . . . . . . . 221 GLN N . 51090 1 187 . 1 . 1 42 42 THR H H 1 8.16 0.0009 . . . . . . . 222 THR H . 51090 1 188 . 1 . 1 42 42 THR C C 13 174.44 0.0254 . . . . . . . 222 THR C . 51090 1 189 . 1 . 1 42 42 THR CA C 13 62.03 0.0683 . . . . . . . 222 THR CA . 51090 1 190 . 1 . 1 42 42 THR CB C 13 69.86 0.0683 . . . . . . . 222 THR CB . 51090 1 191 . 1 . 1 42 42 THR N N 15 114.76 0.0380 . . . . . . . 222 THR N . 51090 1 192 . 1 . 1 43 43 ASN H H 1 8.47 0.0005 . . . . . . . 223 ASN H . 51090 1 193 . 1 . 1 43 43 ASN C C 13 175.19 0.0254 . . . . . . . 223 ASN C . 51090 1 194 . 1 . 1 43 43 ASN CA C 13 53.51 0.0683 . . . . . . . 223 ASN CA . 51090 1 195 . 1 . 1 43 43 ASN CB C 13 38.81 0.0683 . . . . . . . 223 ASN CB . 51090 1 196 . 1 . 1 43 43 ASN N N 15 120.85 0.0402 . . . . . . . 223 ASN N . 51090 1 197 . 1 . 1 44 44 GLN H H 1 8.39 0.0016 . . . . . . . 224 GLN H . 51090 1 198 . 1 . 1 44 44 GLN C C 13 175.64 0.0254 . . . . . . . 224 GLN C . 51090 1 199 . 1 . 1 44 44 GLN CA C 13 56.01 0.0683 . . . . . . . 224 GLN CA . 51090 1 200 . 1 . 1 44 44 GLN CB C 13 29.47 0.0683 . . . . . . . 224 GLN CB . 51090 1 201 . 1 . 1 44 44 GLN N N 15 120.65 0.0123 . . . . . . . 224 GLN N . 51090 1 202 . 1 . 1 45 45 ASP H H 1 8.42 0.0007 . . . . . . . 225 ASP H . 51090 1 203 . 1 . 1 45 45 ASP C C 13 176.47 0.0254 . . . . . . . 225 ASP C . 51090 1 204 . 1 . 1 45 45 ASP CA C 13 54.51 0.0683 . . . . . . . 225 ASP CA . 51090 1 205 . 1 . 1 45 45 ASP CB C 13 41.16 0.0683 . . . . . . . 225 ASP CB . 51090 1 206 . 1 . 1 45 45 ASP N N 15 121.8 0.0452 . . . . . . . 225 ASP N . 51090 1 207 . 1 . 1 46 46 VAL H H 1 8.11 0.0006 . . . . . . . 226 VAL H . 51090 1 208 . 1 . 1 46 46 VAL C C 13 176.89 0.0254 . . . . . . . 226 VAL C . 51090 1 209 . 1 . 1 46 46 VAL CA C 13 62.59 0.0683 . . . . . . . 226 VAL CA . 51090 1 210 . 1 . 1 46 46 VAL CB C 13 32.51 0.0683 . . . . . . . 226 VAL CB . 51090 1 211 . 1 . 1 46 46 VAL N N 15 119.92 0.0411 . . . . . . . 226 VAL N . 51090 1 212 . 1 . 1 47 47 GLY H H 1 8.49 0.0006 . . . . . . . 227 GLY H . 51090 1 213 . 1 . 1 47 47 GLY C C 13 174.38 0.0254 . . . . . . . 227 GLY C . 51090 1 214 . 1 . 1 47 47 GLY CA C 13 45.44 0.0683 . . . . . . . 227 GLY CA . 51090 1 215 . 1 . 1 47 47 GLY N N 15 111.84 0.0348 . . . . . . . 227 GLY N . 51090 1 216 . 1 . 1 48 48 THR H H 1 8 0.0008 . . . . . . . 228 THR H . 51090 1 217 . 1 . 1 48 48 THR C C 13 174.24 0.0254 . . . . . . . 228 THR C . 51090 1 218 . 1 . 1 48 48 THR CA C 13 61.87 0.0683 . . . . . . . 228 THR CA . 51090 1 219 . 1 . 1 48 48 THR CB C 13 69.88 0.0683 . . . . . . . 228 THR CB . 51090 1 220 . 1 . 1 48 48 THR N N 15 113.94 0.0343 . . . . . . . 228 THR N . 51090 1 221 . 1 . 1 49 49 ALA H H 1 8.29 0.0008 . . . . . . . 229 ALA H . 51090 1 222 . 1 . 1 49 49 ALA C C 13 177.4 0.0254 . . . . . . . 229 ALA C . 51090 1 223 . 1 . 1 49 49 ALA CA C 13 52.48 0.0683 . . . . . . . 229 ALA CA . 51090 1 224 . 1 . 1 49 49 ALA CB C 13 19.24 0.0683 . . . . . . . 229 ALA CB . 51090 1 225 . 1 . 1 49 49 ALA N N 15 126.98 0.0486 . . . . . . . 229 ALA N . 51090 1 226 . 1 . 1 50 50 ILE H H 1 8.19 0.0014 . . . . . . . 230 ILE H . 51090 1 227 . 1 . 1 50 50 ILE C C 13 176.35 0.0254 . . . . . . . 230 ILE C . 51090 1 228 . 1 . 1 50 50 ILE CA C 13 61.08 0.0683 . . . . . . . 230 ILE CA . 51090 1 229 . 1 . 1 50 50 ILE CB C 13 38.62 0.0683 . . . . . . . 230 ILE CB . 51090 1 230 . 1 . 1 50 50 ILE N N 15 121.24 0.0491 . . . . . . . 230 ILE N . 51090 1 231 . 1 . 1 51 51 VAL H H 1 8.31 0.0015 . . . . . . . 231 VAL H . 51090 1 232 . 1 . 1 51 51 VAL C C 13 175.97 0.0254 . . . . . . . 231 VAL C . 51090 1 233 . 1 . 1 51 51 VAL CA C 13 62.15 0.0683 . . . . . . . 231 VAL CA . 51090 1 234 . 1 . 1 51 51 VAL CB C 13 32.89 0.0683 . . . . . . . 231 VAL CB . 51090 1 235 . 1 . 1 51 51 VAL N N 15 125.57 0.0408 . . . . . . . 231 VAL N . 51090 1 236 . 1 . 1 52 52 SER H H 1 8.44 0.0004 . . . . . . . 232 SER H . 51090 1 237 . 1 . 1 52 52 SER C C 13 174.09 0.0254 . . . . . . . 232 SER C . 51090 1 238 . 1 . 1 52 52 SER CA C 13 58.12 0.0683 . . . . . . . 232 SER CA . 51090 1 239 . 1 . 1 52 52 SER CB C 13 64.09 0.0683 . . . . . . . 232 SER CB . 51090 1 240 . 1 . 1 52 52 SER N N 15 120.3 0.0361 . . . . . . . 232 SER N . 51090 1 241 . 1 . 1 53 53 ASP H H 1 8.45 0.0006 . . . . . . . 233 ASP H . 51090 1 242 . 1 . 1 53 53 ASP C C 13 176.48 0.0254 . . . . . . . 233 ASP C . 51090 1 243 . 1 . 1 53 53 ASP CA C 13 54.43 0.0683 . . . . . . . 233 ASP CA . 51090 1 244 . 1 . 1 53 53 ASP CB C 13 41.27 0.0683 . . . . . . . 233 ASP CB . 51090 1 245 . 1 . 1 53 53 ASP N N 15 123.04 0.0432 . . . . . . . 233 ASP N . 51090 1 246 . 1 . 1 54 54 THR H H 1 8.2 0.0008 . . . . . . . 234 THR H . 51090 1 247 . 1 . 1 54 54 THR C C 13 174.88 0.0254 . . . . . . . 234 THR C . 51090 1 248 . 1 . 1 54 54 THR CA C 13 61.71 0.0683 . . . . . . . 234 THR CA . 51090 1 249 . 1 . 1 54 54 THR CB C 13 69.81 0.0683 . . . . . . . 234 THR CB . 51090 1 250 . 1 . 1 54 54 THR N N 15 114.16 0.0396 . . . . . . . 234 THR N . 51090 1 251 . 1 . 1 55 55 THR H H 1 8.23 0.0006 . . . . . . . 235 THR H . 51090 1 252 . 1 . 1 55 55 THR C C 13 174.49 0.0254 . . . . . . . 235 THR C . 51090 1 253 . 1 . 1 55 55 THR CA C 13 62.23 0.0683 . . . . . . . 235 THR CA . 51090 1 254 . 1 . 1 55 55 THR CB C 13 69.81 0.0683 . . . . . . . 235 THR CB . 51090 1 255 . 1 . 1 55 55 THR N N 15 116.04 0.0366 . . . . . . . 235 THR N . 51090 1 256 . 1 . 1 56 56 ASP H H 1 8.29 0.0015 . . . . . . . 236 ASP H . 51090 1 257 . 1 . 1 56 56 ASP C C 13 176.11 0.0254 . . . . . . . 236 ASP C . 51090 1 258 . 1 . 1 56 56 ASP CA C 13 54.62 0.0683 . . . . . . . 236 ASP CA . 51090 1 259 . 1 . 1 56 56 ASP CB C 13 41.3 0.0683 . . . . . . . 236 ASP CB . 51090 1 260 . 1 . 1 56 56 ASP N N 15 122.73 0.0370 . . . . . . . 236 ASP N . 51090 1 261 . 1 . 1 57 57 ASP H H 1 8.3 0.0021 . . . . . . . 237 ASP H . 51090 1 262 . 1 . 1 57 57 ASP C C 13 176.6 0.0254 . . . . . . . 237 ASP C . 51090 1 263 . 1 . 1 57 57 ASP CA C 13 54.92 0.0683 . . . . . . . 237 ASP CA . 51090 1 264 . 1 . 1 57 57 ASP CB C 13 40.98 0.0683 . . . . . . . 237 ASP CB . 51090 1 265 . 1 . 1 57 57 ASP N N 15 120.78 0.0377 . . . . . . . 237 ASP N . 51090 1 266 . 1 . 1 58 58 LEU H H 1 8.1 0.0006 . . . . . . . 238 LEU H . 51090 1 267 . 1 . 1 58 58 LEU C C 13 177.69 0.0254 . . . . . . . 238 LEU C . 51090 1 268 . 1 . 1 58 58 LEU CA C 13 55.54 0.0683 . . . . . . . 238 LEU CA . 51090 1 269 . 1 . 1 58 58 LEU CB C 13 41.64 0.0683 . . . . . . . 238 LEU CB . 51090 1 270 . 1 . 1 58 58 LEU N N 15 121.48 0.0407 . . . . . . . 238 LEU N . 51090 1 271 . 1 . 1 59 59 TRP H H 1 7.9 0.0007 . . . . . . . 239 TRP H . 51090 1 272 . 1 . 1 59 59 TRP C C 13 176.32 0.0254 . . . . . . . 239 TRP C . 51090 1 273 . 1 . 1 59 59 TRP CA C 13 58.11 0.0683 . . . . . . . 239 TRP CA . 51090 1 274 . 1 . 1 59 59 TRP CB C 13 29.2 0.0683 . . . . . . . 239 TRP CB . 51090 1 275 . 1 . 1 59 59 TRP N N 15 120.75 0.0410 . . . . . . . 239 TRP N . 51090 1 276 . 1 . 1 60 60 PHE H H 1 7.42 0.0008 . . . . . . . 240 PHE H . 51090 1 277 . 1 . 1 60 60 PHE C C 13 175.56 0.0254 . . . . . . . 240 PHE C . 51090 1 278 . 1 . 1 60 60 PHE CA C 13 57.87 0.0683 . . . . . . . 240 PHE CA . 51090 1 279 . 1 . 1 60 60 PHE CB C 13 39.03 0.0683 . . . . . . . 240 PHE CB . 51090 1 280 . 1 . 1 60 60 PHE N N 15 119.51 0.0432 . . . . . . . 240 PHE N . 51090 1 281 . 1 . 1 61 61 LEU H H 1 7.76 0.0009 . . . . . . . 241 LEU H . 51090 1 282 . 1 . 1 61 61 LEU C C 13 177.01 0.0254 . . . . . . . 241 LEU C . 51090 1 283 . 1 . 1 61 61 LEU CA C 13 55.44 0.0683 . . . . . . . 241 LEU CA . 51090 1 284 . 1 . 1 61 61 LEU CB C 13 42.21 0.0683 . . . . . . . 241 LEU CB . 51090 1 285 . 1 . 1 61 61 LEU N N 15 122.55 0.0373 . . . . . . . 241 LEU N . 51090 1 286 . 1 . 1 62 62 ASN H H 1 8.14 0.0006 . . . . . . . 242 ASN H . 51090 1 287 . 1 . 1 62 62 ASN C C 13 175.38 0.0254 . . . . . . . 242 ASN C . 51090 1 288 . 1 . 1 62 62 ASN CA C 13 53.54 0.0683 . . . . . . . 242 ASN CA . 51090 1 289 . 1 . 1 62 62 ASN CB C 13 39.01 0.0683 . . . . . . . 242 ASN CB . 51090 1 290 . 1 . 1 62 62 ASN N N 15 119.27 0.0373 . . . . . . . 242 ASN N . 51090 1 291 . 1 . 1 63 63 GLU H H 1 8.34 0.0019 . . . . . . . 243 GLU H . 51090 1 292 . 1 . 1 63 63 GLU C C 13 176.66 0.0254 . . . . . . . 243 GLU C . 51090 1 293 . 1 . 1 63 63 GLU CA C 13 57.03 0.0683 . . . . . . . 243 GLU CA . 51090 1 294 . 1 . 1 63 63 GLU CB C 13 30.31 0.0683 . . . . . . . 243 GLU CB . 51090 1 295 . 1 . 1 63 63 GLU N N 15 121.4 0.0206 . . . . . . . 243 GLU N . 51090 1 296 . 1 . 1 64 64 SER H H 1 8.32 0.0009 . . . . . . . 244 SER H . 51090 1 297 . 1 . 1 64 64 SER C C 13 174.85 0.0254 . . . . . . . 244 SER C . 51090 1 298 . 1 . 1 64 64 SER CA C 13 58.77 0.0683 . . . . . . . 244 SER CA . 51090 1 299 . 1 . 1 64 64 SER CB C 13 63.72 0.0683 . . . . . . . 244 SER CB . 51090 1 300 . 1 . 1 64 64 SER N N 15 116.63 0.0394 . . . . . . . 244 SER N . 51090 1 301 . 1 . 1 65 65 VAL H H 1 8.11 0.0005 . . . . . . . 245 VAL H . 51090 1 302 . 1 . 1 65 65 VAL C C 13 176.51 0.0254 . . . . . . . 245 VAL C . 51090 1 303 . 1 . 1 65 65 VAL CA C 13 62.69 0.0683 . . . . . . . 245 VAL CA . 51090 1 304 . 1 . 1 65 65 VAL CB C 13 32.65 0.0683 . . . . . . . 245 VAL CB . 51090 1 305 . 1 . 1 65 65 VAL N N 15 121.59 0.0390 . . . . . . . 245 VAL N . 51090 1 306 . 1 . 1 66 66 SER H H 1 8.31 0.0007 . . . . . . . 246 SER H . 51090 1 307 . 1 . 1 66 66 SER C C 13 174.98 0.0254 . . . . . . . 246 SER C . 51090 1 308 . 1 . 1 66 66 SER CA C 13 58.87 0.0683 . . . . . . . 246 SER CA . 51090 1 309 . 1 . 1 66 66 SER CB C 13 63.78 0.0683 . . . . . . . 246 SER CB . 51090 1 310 . 1 . 1 66 66 SER N N 15 118.84 0.0385 . . . . . . . 246 SER N . 51090 1 311 . 1 . 1 67 67 GLU H H 1 8.43 0.0023 . . . . . . . 247 GLU H . 51090 1 312 . 1 . 1 67 67 GLU C C 13 176.68 0.0254 . . . . . . . 247 GLU C . 51090 1 313 . 1 . 1 67 67 GLU CA C 13 57.11 0.0683 . . . . . . . 247 GLU CA . 51090 1 314 . 1 . 1 67 67 GLU CB C 13 30.18 0.0683 . . . . . . . 247 GLU CB . 51090 1 315 . 1 . 1 67 67 GLU N N 15 123.04 0.0420 . . . . . . . 247 GLU N . 51090 1 316 . 1 . 1 68 68 GLN H H 1 8.34 0.0009 . . . . . . . 248 GLN H . 51090 1 317 . 1 . 1 68 68 GLN C C 13 176.37 0.0254 . . . . . . . 248 GLN C . 51090 1 318 . 1 . 1 68 68 GLN CA C 13 56.04 0.0683 . . . . . . . 248 GLN CA . 51090 1 319 . 1 . 1 68 68 GLN CB C 13 29.23 0.0683 . . . . . . . 248 GLN CB . 51090 1 320 . 1 . 1 68 68 GLN N N 15 120.89 0.0393 . . . . . . . 248 GLN N . 51090 1 321 . 1 . 1 69 69 LEU H H 1 8.25 0.0012 . . . . . . . 249 LEU H . 51090 1 322 . 1 . 1 69 69 LEU C C 13 178.05 0.0254 . . . . . . . 249 LEU C . 51090 1 323 . 1 . 1 69 69 LEU CA C 13 55.46 0.0683 . . . . . . . 249 LEU CA . 51090 1 324 . 1 . 1 69 69 LEU CB C 13 42.4 0.0683 . . . . . . . 249 LEU CB . 51090 1 325 . 1 . 1 69 69 LEU N N 15 122.96 0.0148 . . . . . . . 249 LEU N . 51090 1 326 . 1 . 1 70 70 GLY H H 1 8.4 0.0006 . . . . . . . 250 GLY H . 51090 1 327 . 1 . 1 70 70 GLY C C 13 174.23 0.0254 . . . . . . . 250 GLY C . 51090 1 328 . 1 . 1 70 70 GLY CA C 13 45.45 0.0683 . . . . . . . 250 GLY CA . 51090 1 329 . 1 . 1 70 70 GLY N N 15 109.54 0.0398 . . . . . . . 250 GLY N . 51090 1 330 . 1 . 1 71 71 VAL H H 1 7.95 0.0004 . . . . . . . 251 VAL H . 51090 1 331 . 1 . 1 71 71 VAL C C 13 176.79 0.0254 . . . . . . . 251 VAL C . 51090 1 332 . 1 . 1 71 71 VAL CA C 13 62.48 0.0683 . . . . . . . 251 VAL CA . 51090 1 333 . 1 . 1 71 71 VAL CB C 13 32.64 0.0683 . . . . . . . 251 VAL CB . 51090 1 334 . 1 . 1 71 71 VAL N N 15 118.84 0.0401 . . . . . . . 251 VAL N . 51090 1 335 . 1 . 1 72 72 GLY H H 1 8.5 0.0006 . . . . . . . 252 GLY H . 51090 1 336 . 1 . 1 72 72 GLY C C 13 173.85 0.0254 . . . . . . . 252 GLY C . 51090 1 337 . 1 . 1 72 72 GLY CA C 13 45.23 0.0683 . . . . . . . 252 GLY CA . 51090 1 338 . 1 . 1 72 72 GLY N N 15 112.44 0.0392 . . . . . . . 252 GLY N . 51090 1 339 . 1 . 1 73 73 ILE H H 1 7.93 0.0004 . . . . . . . 253 ILE H . 51090 1 340 . 1 . 1 73 73 ILE C C 13 176.07 0.0254 . . . . . . . 253 ILE C . 51090 1 341 . 1 . 1 73 73 ILE CA C 13 61 0.0683 . . . . . . . 253 ILE CA . 51090 1 342 . 1 . 1 73 73 ILE CB C 13 38.84 0.0683 . . . . . . . 253 ILE CB . 51090 1 343 . 1 . 1 73 73 ILE N N 15 120.37 0.0364 . . . . . . . 253 ILE N . 51090 1 344 . 1 . 1 74 74 LYS H H 1 8.44 0.0002 . . . . . . . 254 LYS H . 51090 1 345 . 1 . 1 74 74 LYS C C 13 176.16 0.0254 . . . . . . . 254 LYS C . 51090 1 346 . 1 . 1 74 74 LYS CA C 13 56.07 0.0683 . . . . . . . 254 LYS CA . 51090 1 347 . 1 . 1 74 74 LYS CB C 13 33.13 0.0683 . . . . . . . 254 LYS CB . 51090 1 348 . 1 . 1 74 74 LYS N N 15 126.64 0.0397 . . . . . . . 254 LYS N . 51090 1 349 . 1 . 1 75 75 VAL H H 1 8.33 0.0020 . . . . . . . 255 VAL H . 51090 1 350 . 1 . 1 75 75 VAL C C 13 176.1 0.0254 . . . . . . . 255 VAL C . 51090 1 351 . 1 . 1 75 75 VAL CA C 13 62.28 0.0683 . . . . . . . 255 VAL CA . 51090 1 352 . 1 . 1 75 75 VAL CB C 13 32.97 0.0683 . . . . . . . 255 VAL CB . 51090 1 353 . 1 . 1 75 75 VAL N N 15 123.7 0.0281 . . . . . . . 255 VAL N . 51090 1 354 . 1 . 1 76 76 GLU H H 1 8.58 0.0008 . . . . . . . 256 GLU H . 51090 1 355 . 1 . 1 76 76 GLU C C 13 176.02 0.0254 . . . . . . . 256 GLU C . 51090 1 356 . 1 . 1 76 76 GLU CA C 13 56.23 0.0683 . . . . . . . 256 GLU CA . 51090 1 357 . 1 . 1 76 76 GLU CB C 13 30.41 0.0683 . . . . . . . 256 GLU CB . 51090 1 358 . 1 . 1 76 76 GLU N N 15 125.76 0.0476 . . . . . . . 256 GLU N . 51090 1 359 . 1 . 1 77 77 ALA H H 1 8.42 0.0004 . . . . . . . 257 ALA H . 51090 1 360 . 1 . 1 77 77 ALA C C 13 177.37 0.0254 . . . . . . . 257 ALA C . 51090 1 361 . 1 . 1 77 77 ALA CA C 13 52.41 0.0683 . . . . . . . 257 ALA CA . 51090 1 362 . 1 . 1 77 77 ALA CB C 13 19.4 0.0683 . . . . . . . 257 ALA CB . 51090 1 363 . 1 . 1 77 77 ALA N N 15 126.01 0.0498 . . . . . . . 257 ALA N . 51090 1 364 . 1 . 1 78 78 ALA H H 1 8.36 0.0009 . . . . . . . 258 ALA H . 51090 1 365 . 1 . 1 78 78 ALA C C 13 177.62 0.0254 . . . . . . . 258 ALA C . 51090 1 366 . 1 . 1 78 78 ALA CA C 13 52.44 0.0683 . . . . . . . 258 ALA CA . 51090 1 367 . 1 . 1 78 78 ALA CB C 13 19.43 0.0683 . . . . . . . 258 ALA CB . 51090 1 368 . 1 . 1 78 78 ALA N N 15 123.72 0.0354 . . . . . . . 258 ALA N . 51090 1 369 . 1 . 1 79 79 ASP H H 1 8.37 0.0004 . . . . . . . 259 ASP H . 51090 1 370 . 1 . 1 79 79 ASP C C 13 176.67 0.0254 . . . . . . . 259 ASP C . 51090 1 371 . 1 . 1 79 79 ASP CA C 13 54.46 0.0683 . . . . . . . 259 ASP CA . 51090 1 372 . 1 . 1 79 79 ASP CB C 13 41.07 0.0683 . . . . . . . 259 ASP CB . 51090 1 373 . 1 . 1 79 79 ASP N N 15 119.79 0.0357 . . . . . . . 259 ASP N . 51090 1 374 . 1 . 1 80 80 THR H H 1 8.07 0.0006 . . . . . . . 260 THR H . 51090 1 375 . 1 . 1 80 80 THR C C 13 174.8 0.0254 . . . . . . . 260 THR C . 51090 1 376 . 1 . 1 80 80 THR CA C 13 62.06 0.0683 . . . . . . . 260 THR CA . 51090 1 377 . 1 . 1 80 80 THR CB C 13 69.87 0.0683 . . . . . . . 260 THR CB . 51090 1 378 . 1 . 1 80 80 THR N N 15 113.95 0.0375 . . . . . . . 260 THR N . 51090 1 379 . 1 . 1 81 81 GLU H H 1 8.44 0.0004 . . . . . . . 261 GLU H . 51090 1 380 . 1 . 1 81 81 GLU C C 13 176.56 0.0254 . . . . . . . 261 GLU C . 51090 1 381 . 1 . 1 81 81 GLU CA C 13 56.77 0.0683 . . . . . . . 261 GLU CA . 51090 1 382 . 1 . 1 81 81 GLU CB C 13 30.21 0.0683 . . . . . . . 261 GLU CB . 51090 1 383 . 1 . 1 81 81 GLU N N 15 123.26 0.0384 . . . . . . . 261 GLU N . 51090 1 384 . 1 . 1 82 82 GLN H H 1 8.44 0.0006 . . . . . . . 262 GLN H . 51090 1 385 . 1 . 1 82 82 GLN C C 13 176.26 0.0254 . . . . . . . 262 GLN C . 51090 1 386 . 1 . 1 82 82 GLN CA C 13 55.86 0.0683 . . . . . . . 262 GLN CA . 51090 1 387 . 1 . 1 82 82 GLN CB C 13 29.52 0.0683 . . . . . . . 262 GLN CB . 51090 1 388 . 1 . 1 82 82 GLN N N 15 121.8 0.0412 . . . . . . . 262 GLN N . 51090 1 389 . 1 . 1 83 83 THR H H 1 8.33 0.0008 . . . . . . . 263 THR H . 51090 1 390 . 1 . 1 83 83 THR C C 13 174.69 0.0254 . . . . . . . 263 THR C . 51090 1 391 . 1 . 1 83 83 THR CA C 13 61.85 0.0683 . . . . . . . 263 THR CA . 51090 1 392 . 1 . 1 83 83 THR CB C 13 69.95 0.0683 . . . . . . . 263 THR CB . 51090 1 393 . 1 . 1 83 83 THR N N 15 115.91 0.0405 . . . . . . . 263 THR N . 51090 1 394 . 1 . 1 84 84 SER H H 1 8.44 0.0002 . . . . . . . 264 SER H . 51090 1 395 . 1 . 1 84 84 SER C C 13 174.75 0.0254 . . . . . . . 264 SER C . 51090 1 396 . 1 . 1 84 84 SER CA C 13 58.54 0.0683 . . . . . . . 264 SER CA . 51090 1 397 . 1 . 1 84 84 SER CB C 13 63.9 0.0683 . . . . . . . 264 SER CB . 51090 1 398 . 1 . 1 84 84 SER N N 15 118.22 0.0390 . . . . . . . 264 SER N . 51090 1 399 . 1 . 1 85 85 GLU H H 1 8.51 0.0007 . . . . . . . 265 GLU H . 51090 1 400 . 1 . 1 85 85 GLU C C 13 176.58 0.0254 . . . . . . . 265 GLU C . 51090 1 401 . 1 . 1 85 85 GLU CA C 13 56.86 0.0683 . . . . . . . 265 GLU CA . 51090 1 402 . 1 . 1 85 85 GLU CB C 13 30.34 0.0683 . . . . . . . 265 GLU CB . 51090 1 403 . 1 . 1 85 85 GLU N N 15 123.02 0.0447 . . . . . . . 265 GLU N . 51090 1 404 . 1 . 1 86 86 GLU H H 1 8.42 0.0003 . . . . . . . 266 GLU H . 51090 1 405 . 1 . 1 86 86 GLU C C 13 176.78 0.0254 . . . . . . . 266 GLU C . 51090 1 406 . 1 . 1 86 86 GLU CA C 13 56.75 0.0683 . . . . . . . 266 GLU CA . 51090 1 407 . 1 . 1 86 86 GLU CB C 13 30.3 0.0683 . . . . . . . 266 GLU CB . 51090 1 408 . 1 . 1 86 86 GLU N N 15 122.06 0.0403 . . . . . . . 266 GLU N . 51090 1 409 . 1 . 1 87 87 VAL H H 1 8.16 0.0007 . . . . . . . 267 VAL H . 51090 1 410 . 1 . 1 87 87 VAL C C 13 177.03 0.0254 . . . . . . . 267 VAL C . 51090 1 411 . 1 . 1 87 87 VAL CA C 13 63.02 0.0683 . . . . . . . 267 VAL CA . 51090 1 412 . 1 . 1 87 87 VAL CB C 13 32.51 0.0683 . . . . . . . 267 VAL CB . 51090 1 413 . 1 . 1 87 87 VAL N N 15 121.62 0.0442 . . . . . . . 267 VAL N . 51090 1 414 . 1 . 1 88 88 GLY H H 1 8.52 0.0005 . . . . . . . 268 GLY H . 51090 1 415 . 1 . 1 88 88 GLY C C 13 174.09 0.0254 . . . . . . . 268 GLY C . 51090 1 416 . 1 . 1 88 88 GLY CA C 13 45.37 0.0683 . . . . . . . 268 GLY CA . 51090 1 417 . 1 . 1 88 88 GLY N N 15 112.22 0.0379 . . . . . . . 268 GLY N . 51090 1 418 . 1 . 1 89 89 LYS H H 1 8.05 0.0003 . . . . . . . 269 LYS H . 51090 1 419 . 1 . 1 89 89 LYS C C 13 176.87 0.0254 . . . . . . . 269 LYS C . 51090 1 420 . 1 . 1 89 89 LYS CA C 13 56.27 0.0683 . . . . . . . 269 LYS CA . 51090 1 421 . 1 . 1 89 89 LYS CB C 13 33.23 0.0683 . . . . . . . 269 LYS CB . 51090 1 422 . 1 . 1 89 89 LYS N N 15 121.08 0.0432 . . . . . . . 269 LYS N . 51090 1 423 . 1 . 1 90 90 VAL H H 1 8.27 0.0015 . . . . . . . 270 VAL H . 51090 1 424 . 1 . 1 90 90 VAL C C 13 176.37 0.0254 . . . . . . . 270 VAL C . 51090 1 425 . 1 . 1 90 90 VAL CA C 13 62.47 0.0683 . . . . . . . 270 VAL CA . 51090 1 426 . 1 . 1 90 90 VAL CB C 13 32.79 0.0683 . . . . . . . 270 VAL CB . 51090 1 427 . 1 . 1 90 90 VAL N N 15 122.1 0.0377 . . . . . . . 270 VAL N . 51090 1 428 . 1 . 1 91 91 SER H H 1 8.43 0.0003 . . . . . . . 271 SER H . 51090 1 429 . 1 . 1 91 91 SER C C 13 174.36 0.0254 . . . . . . . 271 SER C . 51090 1 430 . 1 . 1 91 91 SER CA C 13 58.33 0.0683 . . . . . . . 271 SER CA . 51090 1 431 . 1 . 1 91 91 SER CB C 13 63.96 0.0683 . . . . . . . 271 SER CB . 51090 1 432 . 1 . 1 91 91 SER N N 15 119.55 0.0401 . . . . . . . 271 SER N . 51090 1 433 . 1 . 1 92 92 ASP H H 1 8.36 0.0026 . . . . . . . 272 ASP H . 51090 1 434 . 1 . 1 92 92 ASP C C 13 176.18 0.0254 . . . . . . . 272 ASP C . 51090 1 435 . 1 . 1 92 92 ASP CA C 13 54.4 0.0683 . . . . . . . 272 ASP CA . 51090 1 436 . 1 . 1 92 92 ASP CB C 13 41.1 0.0683 . . . . . . . 272 ASP CB . 51090 1 437 . 1 . 1 92 92 ASP N N 15 123.19 0.0321 . . . . . . . 272 ASP N . 51090 1 438 . 1 . 1 93 93 LYS H H 1 8.19 0.0005 . . . . . . . 273 LYS H . 51090 1 439 . 1 . 1 93 93 LYS C C 13 176.47 0.0254 . . . . . . . 273 LYS C . 51090 1 440 . 1 . 1 93 93 LYS CA C 13 56.33 0.0683 . . . . . . . 273 LYS CA . 51090 1 441 . 1 . 1 93 93 LYS CB C 13 32.9 0.0683 . . . . . . . 273 LYS CB . 51090 1 442 . 1 . 1 93 93 LYS N N 15 121.6 0.0442 . . . . . . . 273 LYS N . 51090 1 443 . 1 . 1 94 94 LYS H H 1 8.35 0.0011 . . . . . . . 274 LYS H . 51090 1 444 . 1 . 1 94 94 LYS C C 13 176.46 0.0254 . . . . . . . 274 LYS C . 51090 1 445 . 1 . 1 94 94 LYS CA C 13 56.3 0.0683 . . . . . . . 274 LYS CA . 51090 1 446 . 1 . 1 94 94 LYS CB C 13 32.99 0.0683 . . . . . . . 274 LYS CB . 51090 1 447 . 1 . 1 94 94 LYS N N 15 123.22 0.0534 . . . . . . . 274 LYS N . 51090 1 448 . 1 . 1 95 95 VAL H H 1 8.23 0.0002 . . . . . . . 275 VAL H . 51090 1 449 . 1 . 1 95 95 VAL C C 13 175.99 0.0254 . . . . . . . 275 VAL C . 51090 1 450 . 1 . 1 95 95 VAL CA C 13 62.49 0.0683 . . . . . . . 275 VAL CA . 51090 1 451 . 1 . 1 95 95 VAL CB C 13 32.75 0.0683 . . . . . . . 275 VAL CB . 51090 1 452 . 1 . 1 95 95 VAL N N 15 122.82 0.0356 . . . . . . . 275 VAL N . 51090 1 453 . 1 . 1 96 96 ILE H H 1 8.26 0.0009 . . . . . . . 276 ILE H . 51090 1 454 . 1 . 1 96 96 ILE C C 13 175.99 0.0254 . . . . . . . 276 ILE C . 51090 1 455 . 1 . 1 96 96 ILE CA C 13 60.9 0.0683 . . . . . . . 276 ILE CA . 51090 1 456 . 1 . 1 96 96 ILE CB C 13 38.63 0.0683 . . . . . . . 276 ILE CB . 51090 1 457 . 1 . 1 96 96 ILE N N 15 125.68 0.0453 . . . . . . . 276 ILE N . 51090 1 458 . 1 . 1 97 97 GLU H H 1 8.52 0.0006 . . . . . . . 277 GLU H . 51090 1 459 . 1 . 1 97 97 GLU C C 13 176.18 0.0254 . . . . . . . 277 GLU C . 51090 1 460 . 1 . 1 97 97 GLU CA C 13 56.18 0.0683 . . . . . . . 277 GLU CA . 51090 1 461 . 1 . 1 97 97 GLU CB C 13 30.56 0.0683 . . . . . . . 277 GLU CB . 51090 1 462 . 1 . 1 97 97 GLU N N 15 126.37 0.0360 . . . . . . . 277 GLU N . 51090 1 463 . 1 . 1 98 98 VAL H H 1 8.3 0.0010 . . . . . . . 278 VAL H . 51090 1 464 . 1 . 1 98 98 VAL C C 13 176.78 0.0254 . . . . . . . 278 VAL C . 51090 1 465 . 1 . 1 98 98 VAL CA C 13 62.67 0.0683 . . . . . . . 278 VAL CA . 51090 1 466 . 1 . 1 98 98 VAL CB C 13 32.7 0.0683 . . . . . . . 278 VAL CB . 51090 1 467 . 1 . 1 98 98 VAL N N 15 122.41 0.0434 . . . . . . . 278 VAL N . 51090 1 468 . 1 . 1 99 99 GLY H H 1 8.6 0.0007 . . . . . . . 279 GLY H . 51090 1 469 . 1 . 1 99 99 GLY C C 13 173.96 0.0254 . . . . . . . 279 GLY C . 51090 1 470 . 1 . 1 99 99 GLY CA C 13 45.24 0.0683 . . . . . . . 279 GLY CA . 51090 1 471 . 1 . 1 99 99 GLY N N 15 113.02 0.0409 . . . . . . . 279 GLY N . 51090 1 472 . 1 . 1 100 100 LYS H H 1 8.18 0.0007 . . . . . . . 280 LYS H . 51090 1 473 . 1 . 1 100 100 LYS C C 13 176.36 0.0254 . . . . . . . 280 LYS C . 51090 1 474 . 1 . 1 100 100 LYS CA C 13 56.15 0.0683 . . . . . . . 280 LYS CA . 51090 1 475 . 1 . 1 100 100 LYS CB C 13 33.26 0.0683 . . . . . . . 280 LYS CB . 51090 1 476 . 1 . 1 100 100 LYS N N 15 121.03 0.0468 . . . . . . . 280 LYS N . 51090 1 477 . 1 . 1 101 101 ASN H H 1 8.6 0.0009 . . . . . . . 281 ASN H . 51090 1 478 . 1 . 1 101 101 ASN C C 13 175.01 0.0254 . . . . . . . 281 ASN C . 51090 1 479 . 1 . 1 101 101 ASN CA C 13 53.27 0.0683 . . . . . . . 281 ASN CA . 51090 1 480 . 1 . 1 101 101 ASN CB C 13 39.08 0.0683 . . . . . . . 281 ASN CB . 51090 1 481 . 1 . 1 101 101 ASN N N 15 120.52 0.0377 . . . . . . . 281 ASN N . 51090 1 482 . 1 . 1 102 102 ASP H H 1 8.37 0.0013 . . . . . . . 282 ASP H . 51090 1 483 . 1 . 1 102 102 ASP C C 13 175.98 0.0254 . . . . . . . 282 ASP C . 51090 1 484 . 1 . 1 102 102 ASP CA C 13 54.66 0.0683 . . . . . . . 282 ASP CA . 51090 1 485 . 1 . 1 102 102 ASP CB C 13 41.2 0.0683 . . . . . . . 282 ASP CB . 51090 1 486 . 1 . 1 102 102 ASP N N 15 121.1 0.0468 . . . . . . . 282 ASP N . 51090 1 487 . 1 . 1 103 103 ASP H H 1 8.32 0.0010 . . . . . . . 283 ASP H . 51090 1 488 . 1 . 1 103 103 ASP C C 13 176.42 0.0254 . . . . . . . 283 ASP C . 51090 1 489 . 1 . 1 103 103 ASP CA C 13 54.63 0.0683 . . . . . . . 283 ASP CA . 51090 1 490 . 1 . 1 103 103 ASP CB C 13 41.05 0.0683 . . . . . . . 283 ASP CB . 51090 1 491 . 1 . 1 103 103 ASP N N 15 120.3 0.0408 . . . . . . . 283 ASP N . 51090 1 492 . 1 . 1 104 104 LEU H H 1 8.15 0.0012 . . . . . . . 284 LEU H . 51090 1 493 . 1 . 1 104 104 LEU C C 13 177.81 0.0254 . . . . . . . 284 LEU C . 51090 1 494 . 1 . 1 104 104 LEU CA C 13 55.43 0.0683 . . . . . . . 284 LEU CA . 51090 1 495 . 1 . 1 104 104 LEU CB C 13 42.27 0.0683 . . . . . . . 284 LEU CB . 51090 1 496 . 1 . 1 104 104 LEU N N 15 121.9 0.0406 . . . . . . . 284 LEU N . 51090 1 497 . 1 . 1 105 105 GLU H H 1 8.35 0.0009 . . . . . . . 285 GLU H . 51090 1 498 . 1 . 1 105 105 GLU C C 13 176.54 0.0254 . . . . . . . 285 GLU C . 51090 1 499 . 1 . 1 105 105 GLU CA C 13 56.91 0.0683 . . . . . . . 285 GLU CA . 51090 1 500 . 1 . 1 105 105 GLU CB C 13 30.24 0.0683 . . . . . . . 285 GLU CB . 51090 1 501 . 1 . 1 105 105 GLU N N 15 121.51 0.0436 . . . . . . . 285 GLU N . 51090 1 502 . 1 . 1 106 106 ASP H H 1 8.38 0.0007 . . . . . . . 286 ASP H . 51090 1 503 . 1 . 1 106 106 ASP C C 13 176.6 0.0254 . . . . . . . 286 ASP C . 51090 1 504 . 1 . 1 106 106 ASP CA C 13 54.54 0.0683 . . . . . . . 286 ASP CA . 51090 1 505 . 1 . 1 106 106 ASP CB C 13 41.16 0.0683 . . . . . . . 286 ASP CB . 51090 1 506 . 1 . 1 106 106 ASP N N 15 121.57 0.0341 . . . . . . . 286 ASP N . 51090 1 507 . 1 . 1 107 107 SER H H 1 8.28 0.0007 . . . . . . . 287 SER H . 51090 1 508 . 1 . 1 107 107 SER C C 13 174.93 0.0254 . . . . . . . 287 SER C . 51090 1 509 . 1 . 1 107 107 SER CA C 13 58.82 0.0683 . . . . . . . 287 SER CA . 51090 1 510 . 1 . 1 107 107 SER CB C 13 63.69 0.0683 . . . . . . . 287 SER CB . 51090 1 511 . 1 . 1 107 107 SER N N 15 116.5 0.0386 . . . . . . . 287 SER N . 51090 1 512 . 1 . 1 108 108 LYS H H 1 8.28 0.0008 . . . . . . . 288 LYS H . 51090 1 513 . 1 . 1 108 108 LYS C C 13 176.81 0.0254 . . . . . . . 288 LYS C . 51090 1 514 . 1 . 1 108 108 LYS CA C 13 56.53 0.0683 . . . . . . . 288 LYS CA . 51090 1 515 . 1 . 1 108 108 LYS CB C 13 32.86 0.0683 . . . . . . . 288 LYS CB . 51090 1 516 . 1 . 1 108 108 LYS N N 15 123.15 0.0409 . . . . . . . 288 LYS N . 51090 1 517 . 1 . 1 109 109 SER H H 1 8.33 0.0009 . . . . . . . 289 SER H . 51090 1 518 . 1 . 1 109 109 SER C C 13 174.68 0.0254 . . . . . . . 289 SER C . 51090 1 519 . 1 . 1 109 109 SER CA C 13 58.46 0.0683 . . . . . . . 289 SER CA . 51090 1 520 . 1 . 1 109 109 SER CB C 13 63.77 0.0683 . . . . . . . 289 SER CB . 51090 1 521 . 1 . 1 109 109 SER N N 15 116.96 0.0373 . . . . . . . 289 SER N . 51090 1 522 . 1 . 1 110 110 LEU H H 1 8.31 0.0007 . . . . . . . 290 LEU H . 51090 1 523 . 1 . 1 110 110 LEU C C 13 177.51 0.0254 . . . . . . . 290 LEU C . 51090 1 524 . 1 . 1 110 110 LEU CA C 13 55.32 0.0683 . . . . . . . 290 LEU CA . 51090 1 525 . 1 . 1 110 110 LEU CB C 13 42.34 0.0683 . . . . . . . 290 LEU CB . 51090 1 526 . 1 . 1 110 110 LEU N N 15 124.38 0.0409 . . . . . . . 290 LEU N . 51090 1 527 . 1 . 1 111 111 SER H H 1 8.26 0.0009 . . . . . . . 291 SER H . 51090 1 528 . 1 . 1 111 111 SER C C 13 174.23 0.0254 . . . . . . . 291 SER C . 51090 1 529 . 1 . 1 111 111 SER CA C 13 58.26 0.0683 . . . . . . . 291 SER CA . 51090 1 530 . 1 . 1 111 111 SER CB C 13 64.04 0.0683 . . . . . . . 291 SER CB . 51090 1 531 . 1 . 1 111 111 SER N N 15 116.21 0.0397 . . . . . . . 291 SER N . 51090 1 532 . 1 . 1 112 112 ASP H H 1 8.36 0.0006 . . . . . . . 292 ASP H . 51090 1 533 . 1 . 1 112 112 ASP C C 13 176.07 0.0254 . . . . . . . 292 ASP C . 51090 1 534 . 1 . 1 112 112 ASP CA C 13 54.44 0.0683 . . . . . . . 292 ASP CA . 51090 1 535 . 1 . 1 112 112 ASP CB C 13 41.29 0.0683 . . . . . . . 292 ASP CB . 51090 1 536 . 1 . 1 112 112 ASP N N 15 122.73 0.0447 . . . . . . . 292 ASP N . 51090 1 537 . 1 . 1 113 113 ASP H H 1 8.34 0.0003 . . . . . . . 293 ASP H . 51090 1 538 . 1 . 1 113 113 ASP C C 13 176.54 0.0254 . . . . . . . 293 ASP C . 51090 1 539 . 1 . 1 113 113 ASP CA C 13 54.48 0.0683 . . . . . . . 293 ASP CA . 51090 1 540 . 1 . 1 113 113 ASP CB C 13 41.07 0.0683 . . . . . . . 293 ASP CB . 51090 1 541 . 1 . 1 113 113 ASP N N 15 121.06 0.0469 . . . . . . . 293 ASP N . 51090 1 542 . 1 . 1 114 114 THR H H 1 8.13 0.0004 . . . . . . . 294 THR H . 51090 1 543 . 1 . 1 114 114 THR C C 13 174.45 0.0254 . . . . . . . 294 THR C . 51090 1 544 . 1 . 1 114 114 THR CA C 13 62.36 0.0683 . . . . . . . 294 THR CA . 51090 1 545 . 1 . 1 114 114 THR CB C 13 69.89 0.0683 . . . . . . . 294 THR CB . 51090 1 546 . 1 . 1 114 114 THR N N 15 114.13 0.0416 . . . . . . . 294 THR N . 51090 1 547 . 1 . 1 115 115 ASP H H 1 8.41 0.0004 . . . . . . . 295 ASP H . 51090 1 548 . 1 . 1 115 115 ASP C C 13 176.09 0.0254 . . . . . . . 295 ASP C . 51090 1 549 . 1 . 1 115 115 ASP CA C 13 54.43 0.0683 . . . . . . . 295 ASP CA . 51090 1 550 . 1 . 1 115 115 ASP CB C 13 41.07 0.0683 . . . . . . . 295 ASP CB . 51090 1 551 . 1 . 1 115 115 ASP N N 15 123.37 0.0364 . . . . . . . 295 ASP N . 51090 1 552 . 1 . 1 116 116 VAL H H 1 7.98 0.0002 . . . . . . . 296 VAL H . 51090 1 553 . 1 . 1 116 116 VAL C C 13 176.09 0.0254 . . . . . . . 296 VAL C . 51090 1 554 . 1 . 1 116 116 VAL CA C 13 62.19 0.0683 . . . . . . . 296 VAL CA . 51090 1 555 . 1 . 1 116 116 VAL CB C 13 32.92 0.0683 . . . . . . . 296 VAL CB . 51090 1 556 . 1 . 1 116 116 VAL N N 15 119.97 0.0438 . . . . . . . 296 VAL N . 51090 1 557 . 1 . 1 117 117 GLU H H 1 8.47 0.0005 . . . . . . . 297 GLU H . 51090 1 558 . 1 . 1 117 117 GLU C C 13 176.37 0.0254 . . . . . . . 297 GLU C . 51090 1 559 . 1 . 1 117 117 GLU CA C 13 56.51 0.0683 . . . . . . . 297 GLU CA . 51090 1 560 . 1 . 1 117 117 GLU CB C 13 30.38 0.0683 . . . . . . . 297 GLU CB . 51090 1 561 . 1 . 1 117 117 GLU N N 15 125.09 0.0470 . . . . . . . 297 GLU N . 51090 1 562 . 1 . 1 118 118 VAL H H 1 8.34 0.0005 . . . . . . . 298 VAL H . 51090 1 563 . 1 . 1 118 118 VAL C C 13 176.47 0.0254 . . . . . . . 298 VAL C . 51090 1 564 . 1 . 1 118 118 VAL CA C 13 62.37 0.0683 . . . . . . . 298 VAL CA . 51090 1 565 . 1 . 1 118 118 VAL CB C 13 32.78 0.0683 . . . . . . . 298 VAL CB . 51090 1 566 . 1 . 1 118 118 VAL N N 15 122.9 0.0444 . . . . . . . 298 VAL N . 51090 1 567 . 1 . 1 119 119 THR H H 1 8.35 0.0005 . . . . . . . 299 THR H . 51090 1 568 . 1 . 1 119 119 THR C C 13 173.87 0.0254 . . . . . . . 299 THR C . 51090 1 569 . 1 . 1 119 119 THR CA C 13 61.62 0.0683 . . . . . . . 299 THR CA . 51090 1 570 . 1 . 1 119 119 THR CB C 13 70.03 0.0683 . . . . . . . 299 THR CB . 51090 1 571 . 1 . 1 119 119 THR N N 15 118.75 0.0453 . . . . . . . 299 THR N . 51090 1 572 . 1 . 1 120 120 SER H H 1 8.03 0.0004 . . . . . . . 300 SER H . 51090 1 573 . 1 . 1 120 120 SER CA C 13 60.04 0.0683 . . . . . . . 300 SER CA . 51090 1 574 . 1 . 1 120 120 SER CB C 13 64.9 0.0683 . . . . . . . 300 SER CB . 51090 1 575 . 1 . 1 120 120 SER N N 15 123.88 0.0464 . . . . . . . 300 SER N . 51090 1 stop_ save_