data_25426 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25426 _Entry.Title ; MBD2 intrinsically disordered region ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-01-12 _Entry.Accession_date 2015-01-12 _Entry.Last_release_date 2015-01-12 _Entry.Original_release_date 2015-01-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . 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 David Williams . C. Jr. . 25426 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25426 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 331 25426 '15N chemical shifts' 106 25426 '1H chemical shifts' 366 25426 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 . . 2018-02-23 . original BMRB . 25426 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25426 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1093/nar/gkv168 _Citation.PubMed_ID 25753662 _Citation.Full_citation . _Citation.Title ; An intrinsically disordered region of methyl-CpG binding domain protein 2 (MBD2) recruits the histone deacetylase core of the NuRD complex ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 43 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1362-4962 _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 3100 _Citation.Page_last 3113 _Citation.Year 2015 _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 Megha Desai . A. . . 25426 1 2 Heather Webb . D. . . 25426 1 3 Leander Sinanan . M. . . 25426 1 4 Neel Scarsdale . . . . 25426 1 5 Ninad Walavalkar . M. . . 25426 1 6 Gordon Ginder . G. . . 25426 1 7 David Williams . C. Jr. . 25426 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25426 _Assembly.ID 1 _Assembly.Name 'MBD2 IDR' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 13046.7 _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 'MBD2 IDR' 1 $MBD2 A . yes native no no . . . 25426 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MBD2 _Entity.Sf_category entity _Entity.Sf_framecode MBD2 _Entity.Entry_ID 25426 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MBD2 _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 ; GSDLNTTLPIRQTASIFKQP VTKVTNHPSNKVKSDPQRMN EQPRQLFWEKRLQGLSASDV TEQIIKTMELPKGLQGVGPG SNDETLLSAVASALHTSSAP ITGQVSAAVEKNPAVWLNTS Q ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'residues 3-121 equivalent to residues 238-356 of MBD2a' _Entity.Polymer_author_seq_details 'Residue 1-2 represent residual from non-native affinity tag.' _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 121 _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 1 236 GLY . 25426 1 2 237 SER . 25426 1 3 238 ASP . 25426 1 4 239 LEU . 25426 1 5 240 ASN . 25426 1 6 241 THR . 25426 1 7 242 THR . 25426 1 8 243 LEU . 25426 1 9 244 PRO . 25426 1 10 245 ILE . 25426 1 11 246 ARG . 25426 1 12 247 GLN . 25426 1 13 248 THR . 25426 1 14 249 ALA . 25426 1 15 250 SER . 25426 1 16 251 ILE . 25426 1 17 252 PHE . 25426 1 18 253 LYS . 25426 1 19 254 GLN . 25426 1 20 255 PRO . 25426 1 21 256 VAL . 25426 1 22 257 THR . 25426 1 23 258 LYS . 25426 1 24 259 VAL . 25426 1 25 260 THR . 25426 1 26 261 ASN . 25426 1 27 262 HIS . 25426 1 28 263 PRO . 25426 1 29 264 SER . 25426 1 30 265 ASN . 25426 1 31 266 LYS . 25426 1 32 267 VAL . 25426 1 33 268 LYS . 25426 1 34 269 SER . 25426 1 35 270 ASP . 25426 1 36 271 PRO . 25426 1 37 272 GLN . 25426 1 38 273 ARG . 25426 1 39 274 MET . 25426 1 40 275 ASN . 25426 1 41 276 GLU . 25426 1 42 277 GLN . 25426 1 43 278 PRO . 25426 1 44 279 ARG . 25426 1 45 280 GLN . 25426 1 46 281 LEU . 25426 1 47 282 PHE . 25426 1 48 283 TRP . 25426 1 49 284 GLU . 25426 1 50 285 LYS . 25426 1 51 286 ARG . 25426 1 52 287 LEU . 25426 1 53 288 GLN . 25426 1 54 289 GLY . 25426 1 55 290 LEU . 25426 1 56 291 SER . 25426 1 57 292 ALA . 25426 1 58 293 SER . 25426 1 59 294 ASP . 25426 1 60 295 VAL . 25426 1 61 296 THR . 25426 1 62 297 GLU . 25426 1 63 298 GLN . 25426 1 64 299 ILE . 25426 1 65 300 ILE . 25426 1 66 301 LYS . 25426 1 67 302 THR . 25426 1 68 303 MET . 25426 1 69 304 GLU . 25426 1 70 305 LEU . 25426 1 71 306 PRO . 25426 1 72 307 LYS . 25426 1 73 308 GLY . 25426 1 74 309 LEU . 25426 1 75 310 GLN . 25426 1 76 311 GLY . 25426 1 77 312 VAL . 25426 1 78 313 GLY . 25426 1 79 314 PRO . 25426 1 80 315 GLY . 25426 1 81 316 SER . 25426 1 82 317 ASN . 25426 1 83 318 ASP . 25426 1 84 319 GLU . 25426 1 85 320 THR . 25426 1 86 321 LEU . 25426 1 87 322 LEU . 25426 1 88 323 SER . 25426 1 89 324 ALA . 25426 1 90 325 VAL . 25426 1 91 326 ALA . 25426 1 92 327 SER . 25426 1 93 328 ALA . 25426 1 94 329 LEU . 25426 1 95 330 HIS . 25426 1 96 331 THR . 25426 1 97 332 SER . 25426 1 98 333 SER . 25426 1 99 334 ALA . 25426 1 100 335 PRO . 25426 1 101 336 ILE . 25426 1 102 337 THR . 25426 1 103 338 GLY . 25426 1 104 339 GLN . 25426 1 105 340 VAL . 25426 1 106 341 SER . 25426 1 107 342 ALA . 25426 1 108 343 ALA . 25426 1 109 344 VAL . 25426 1 110 345 GLU . 25426 1 111 346 LYS . 25426 1 112 347 ASN . 25426 1 113 348 PRO . 25426 1 114 349 ALA . 25426 1 115 350 VAL . 25426 1 116 351 TRP . 25426 1 117 352 LEU . 25426 1 118 353 ASN . 25426 1 119 354 THR . 25426 1 120 355 SER . 25426 1 121 356 GLN . 25426 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25426 1 . SER 2 2 25426 1 . ASP 3 3 25426 1 . LEU 4 4 25426 1 . ASN 5 5 25426 1 . THR 6 6 25426 1 . THR 7 7 25426 1 . LEU 8 8 25426 1 . PRO 9 9 25426 1 . ILE 10 10 25426 1 . ARG 11 11 25426 1 . GLN 12 12 25426 1 . THR 13 13 25426 1 . ALA 14 14 25426 1 . SER 15 15 25426 1 . ILE 16 16 25426 1 . PHE 17 17 25426 1 . LYS 18 18 25426 1 . GLN 19 19 25426 1 . PRO 20 20 25426 1 . VAL 21 21 25426 1 . THR 22 22 25426 1 . LYS 23 23 25426 1 . VAL 24 24 25426 1 . THR 25 25 25426 1 . ASN 26 26 25426 1 . HIS 27 27 25426 1 . PRO 28 28 25426 1 . SER 29 29 25426 1 . ASN 30 30 25426 1 . LYS 31 31 25426 1 . VAL 32 32 25426 1 . LYS 33 33 25426 1 . SER 34 34 25426 1 . ASP 35 35 25426 1 . PRO 36 36 25426 1 . GLN 37 37 25426 1 . ARG 38 38 25426 1 . MET 39 39 25426 1 . ASN 40 40 25426 1 . GLU 41 41 25426 1 . GLN 42 42 25426 1 . PRO 43 43 25426 1 . ARG 44 44 25426 1 . GLN 45 45 25426 1 . LEU 46 46 25426 1 . PHE 47 47 25426 1 . TRP 48 48 25426 1 . GLU 49 49 25426 1 . LYS 50 50 25426 1 . ARG 51 51 25426 1 . LEU 52 52 25426 1 . GLN 53 53 25426 1 . GLY 54 54 25426 1 . LEU 55 55 25426 1 . SER 56 56 25426 1 . ALA 57 57 25426 1 . SER 58 58 25426 1 . ASP 59 59 25426 1 . VAL 60 60 25426 1 . THR 61 61 25426 1 . GLU 62 62 25426 1 . GLN 63 63 25426 1 . ILE 64 64 25426 1 . ILE 65 65 25426 1 . LYS 66 66 25426 1 . THR 67 67 25426 1 . MET 68 68 25426 1 . GLU 69 69 25426 1 . LEU 70 70 25426 1 . PRO 71 71 25426 1 . LYS 72 72 25426 1 . GLY 73 73 25426 1 . LEU 74 74 25426 1 . GLN 75 75 25426 1 . GLY 76 76 25426 1 . VAL 77 77 25426 1 . GLY 78 78 25426 1 . PRO 79 79 25426 1 . GLY 80 80 25426 1 . SER 81 81 25426 1 . ASN 82 82 25426 1 . ASP 83 83 25426 1 . GLU 84 84 25426 1 . THR 85 85 25426 1 . LEU 86 86 25426 1 . LEU 87 87 25426 1 . SER 88 88 25426 1 . ALA 89 89 25426 1 . VAL 90 90 25426 1 . ALA 91 91 25426 1 . SER 92 92 25426 1 . ALA 93 93 25426 1 . LEU 94 94 25426 1 . HIS 95 95 25426 1 . THR 96 96 25426 1 . SER 97 97 25426 1 . SER 98 98 25426 1 . ALA 99 99 25426 1 . PRO 100 100 25426 1 . ILE 101 101 25426 1 . THR 102 102 25426 1 . GLY 103 103 25426 1 . GLN 104 104 25426 1 . VAL 105 105 25426 1 . SER 106 106 25426 1 . ALA 107 107 25426 1 . ALA 108 108 25426 1 . VAL 109 109 25426 1 . GLU 110 110 25426 1 . LYS 111 111 25426 1 . ASN 112 112 25426 1 . PRO 113 113 25426 1 . ALA 114 114 25426 1 . VAL 115 115 25426 1 . TRP 116 116 25426 1 . LEU 117 117 25426 1 . ASN 118 118 25426 1 . THR 119 119 25426 1 . SER 120 120 25426 1 . GLN 121 121 25426 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 25426 _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 $MBD2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25426 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 25426 _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 $MBD2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pet32a . . . 25426 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25426 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MBD2 '[U-99% 13C; U-99% 15N]' . . 1 $MBD2 . . . 0.5 1 mM . . . . 25426 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 25426 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 25426 1 4 NaH2PO4 'natural abundance' . . . . . . 10 . . mM . . . . 25426 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 25426 1 6 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25426 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 25426 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 25 . mM 25426 1 pH 6.5 . pH 25426 1 pressure 1 . atm 25426 1 temperature 298 . K 25426 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 25426 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 25426 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25426 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25426 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25426 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25426 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 25426 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 25426 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 25426 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 25426 _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 . . . . . . . . . . . . . . . . 25426 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25426 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25426 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25426 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25426 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25426 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 25426 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' . . . . 25426 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . 25426 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' . . . . 25426 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 25426 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25426 1 2 '3D HNCO' . . . 25426 1 3 '3D HNCACB' . . . 25426 1 4 '3D CBCA(CO)NH' . . . 25426 1 5 '3D HBHA(CO)NH' . . . 25426 1 6 '3D 1H-15N NOESY' . . . 25426 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 2 2 SER HA H 1 4.518 0.000 . 1 . . . . . 237 Ser HA . 25426 1 2 . 1 1 2 2 SER HB2 H 1 3.866 0.000 . 1 . . . . . 237 Ser HB2 . 25426 1 3 . 1 1 2 2 SER C C 13 174.080 0.000 . 1 . . . . . 237 Ser C . 25426 1 4 . 1 1 2 2 SER CA C 13 58.350 0.044 . 1 . . . . . 237 Ser CA . 25426 1 5 . 1 1 2 2 SER CB C 13 63.952 0.000 . 1 . . . . . 237 Ser CB . 25426 1 6 . 1 1 3 3 ASP H H 1 8.536 0.001 . 1 . . . . . 238 Asp H . 25426 1 7 . 1 1 3 3 ASP HA H 1 4.603 0.000 . 1 . . . . . 238 Asp HA . 25426 1 8 . 1 1 3 3 ASP HB2 H 1 2.721 0.000 . 2 . . . . . 238 Asp HB2 . 25426 1 9 . 1 1 3 3 ASP HB3 H 1 2.616 0.000 . 2 . . . . . 238 Asp HB3 . 25426 1 10 . 1 1 3 3 ASP C C 13 176.244 0.000 . 1 . . . . . 238 Asp C . 25426 1 11 . 1 1 3 3 ASP CA C 13 54.368 0.020 . 1 . . . . . 238 Asp CA . 25426 1 12 . 1 1 3 3 ASP CB C 13 41.035 0.035 . 1 . . . . . 238 Asp CB . 25426 1 13 . 1 1 3 3 ASP N N 15 122.506 0.051 . 1 . . . . . 238 Asp N . 25426 1 14 . 1 1 4 4 LEU H H 1 8.264 0.002 . 1 . . . . . 239 Leu H . 25426 1 15 . 1 1 4 4 LEU HA H 1 4.312 0.000 . 1 . . . . . 239 Leu HA . 25426 1 16 . 1 1 4 4 LEU HB2 H 1 1.617 0.000 . 1 . . . . . 239 Leu HB2 . 25426 1 17 . 1 1 4 4 LEU C C 13 177.338 0.000 . 1 . . . . . 239 Leu C . 25426 1 18 . 1 1 4 4 LEU CA C 13 55.485 0.000 . 1 . . . . . 239 Leu CA . 25426 1 19 . 1 1 4 4 LEU CB C 13 42.190 0.000 . 1 . . . . . 239 Leu CB . 25426 1 20 . 1 1 4 4 LEU N N 15 122.515 0.028 . 1 . . . . . 239 Leu N . 25426 1 21 . 1 1 5 5 ASN H H 1 8.486 0.003 . 1 . . . . . 240 Asn H . 25426 1 22 . 1 1 5 5 ASN HA H 1 4.744 0.000 . 1 . . . . . 240 Asn HA . 25426 1 23 . 1 1 5 5 ASN HB2 H 1 2.798 0.000 . 2 . . . . . 240 Asn HB2 . 25426 1 24 . 1 1 5 5 ASN HB3 H 1 2.874 0.000 . 2 . . . . . 240 Asn HB3 . 25426 1 25 . 1 1 5 5 ASN C C 13 175.527 0.000 . 1 . . . . . 240 Asn C . 25426 1 26 . 1 1 5 5 ASN CA C 13 53.480 0.000 . 1 . . . . . 240 Asn CA . 25426 1 27 . 1 1 5 5 ASN CB C 13 38.731 0.038 . 1 . . . . . 240 Asn CB . 25426 1 28 . 1 1 5 5 ASN N N 15 119.236 0.028 . 1 . . . . . 240 Asn N . 25426 1 29 . 1 1 6 6 THR H H 1 8.069 0.002 . 1 . . . . . 241 Thr H . 25426 1 30 . 1 1 6 6 THR HA H 1 4.382 0.000 . 1 . . . . . 241 Thr HA . 25426 1 31 . 1 1 6 6 THR HB H 1 4.286 0.000 . 1 . . . . . 241 Thr HB . 25426 1 32 . 1 1 6 6 THR C C 13 174.672 0.000 . 1 . . . . . 241 Thr C . 25426 1 33 . 1 1 6 6 THR CA C 13 62.011 0.022 . 1 . . . . . 241 Thr CA . 25426 1 34 . 1 1 6 6 THR CB C 13 69.634 0.014 . 1 . . . . . 241 Thr CB . 25426 1 35 . 1 1 6 6 THR N N 15 114.109 0.049 . 1 . . . . . 241 Thr N . 25426 1 36 . 1 1 7 7 THR H H 1 8.144 0.001 . 1 . . . . . 242 Thr H . 25426 1 37 . 1 1 7 7 THR HA H 1 4.315 0.000 . 1 . . . . . 242 Thr HA . 25426 1 38 . 1 1 7 7 THR HB H 1 4.188 0.000 . 1 . . . . . 242 Thr HB . 25426 1 39 . 1 1 7 7 THR C C 13 174.242 0.000 . 1 . . . . . 242 Thr C . 25426 1 40 . 1 1 7 7 THR CA C 13 62.030 0.007 . 1 . . . . . 242 Thr CA . 25426 1 41 . 1 1 7 7 THR CB C 13 69.828 0.045 . 1 . . . . . 242 Thr CB . 25426 1 42 . 1 1 7 7 THR N N 15 116.757 0.030 . 1 . . . . . 242 Thr N . 25426 1 43 . 1 1 8 8 LEU H H 1 8.193 0.001 . 1 . . . . . 243 Leu H . 25426 1 44 . 1 1 8 8 LEU CA C 13 53.213 0.000 . 1 . . . . . 243 Leu CA . 25426 1 45 . 1 1 8 8 LEU CB C 13 41.786 0.000 . 1 . . . . . 243 Leu CB . 25426 1 46 . 1 1 8 8 LEU N N 15 126.291 0.010 . 1 . . . . . 243 Leu N . 25426 1 47 . 1 1 9 9 PRO HA H 1 4.438 0.000 . 1 . . . . . 244 Pro HA . 25426 1 48 . 1 1 9 9 PRO HB2 H 1 1.850 0.000 . 2 . . . . . 244 Pro HB2 . 25426 1 49 . 1 1 9 9 PRO HB3 H 1 2.256 0.000 . 2 . . . . . 244 Pro HB3 . 25426 1 50 . 1 1 9 9 PRO C C 13 176.854 0.000 . 1 . . . . . 244 Pro C . 25426 1 51 . 1 1 9 9 PRO CA C 13 63.037 0.000 . 1 . . . . . 244 Pro CA . 25426 1 52 . 1 1 9 9 PRO CB C 13 31.815 0.000 . 1 . . . . . 244 Pro CB . 25426 1 53 . 1 1 10 10 ILE H H 1 8.162 0.002 . 1 . . . . . 245 Ile H . 25426 1 54 . 1 1 10 10 ILE HA H 1 4.100 0.000 . 1 . . . . . 245 Ile HA . 25426 1 55 . 1 1 10 10 ILE HB H 1 1.832 0.000 . 1 . . . . . 245 Ile HB . 25426 1 56 . 1 1 10 10 ILE C C 13 176.410 0.000 . 1 . . . . . 245 Ile C . 25426 1 57 . 1 1 10 10 ILE CA C 13 61.310 0.016 . 1 . . . . . 245 Ile CA . 25426 1 58 . 1 1 10 10 ILE CB C 13 38.669 0.022 . 1 . . . . . 245 Ile CB . 25426 1 59 . 1 1 10 10 ILE N N 15 121.148 0.006 . 1 . . . . . 245 Ile N . 25426 1 60 . 1 1 11 11 ARG H H 1 8.396 0.003 . 1 . . . . . 246 Arg H . 25426 1 61 . 1 1 11 11 ARG HA H 1 4.356 0.000 . 1 . . . . . 246 Arg HA . 25426 1 62 . 1 1 11 11 ARG HB2 H 1 1.764 0.000 . 2 . . . . . 246 Arg HB2 . 25426 1 63 . 1 1 11 11 ARG HB3 H 1 1.812 0.000 . 2 . . . . . 246 Arg HB3 . 25426 1 64 . 1 1 11 11 ARG C C 13 176.085 0.000 . 1 . . . . . 246 Arg C . 25426 1 65 . 1 1 11 11 ARG CA C 13 55.969 0.013 . 1 . . . . . 246 Arg CA . 25426 1 66 . 1 1 11 11 ARG CB C 13 30.814 0.002 . 1 . . . . . 246 Arg CB . 25426 1 67 . 1 1 11 11 ARG N N 15 125.228 0.042 . 1 . . . . . 246 Arg N . 25426 1 68 . 1 1 12 12 GLN H H 1 8.491 0.001 . 1 . . . . . 247 Gln H . 25426 1 69 . 1 1 12 12 GLN HA H 1 4.405 0.000 . 1 . . . . . 247 Gln HA . 25426 1 70 . 1 1 12 12 GLN HB2 H 1 2.113 0.000 . 2 . . . . . 247 Gln HB2 . 25426 1 71 . 1 1 12 12 GLN HB3 H 1 1.984 0.000 . 2 . . . . . 247 Gln HB3 . 25426 1 72 . 1 1 12 12 GLN C C 13 176.121 0.000 . 1 . . . . . 247 Gln C . 25426 1 73 . 1 1 12 12 GLN CA C 13 55.868 0.031 . 1 . . . . . 247 Gln CA . 25426 1 74 . 1 1 12 12 GLN CB C 13 29.546 0.013 . 1 . . . . . 247 Gln CB . 25426 1 75 . 1 1 12 12 GLN N N 15 122.424 0.008 . 1 . . . . . 247 Gln N . 25426 1 76 . 1 1 13 13 THR H H 1 8.237 0.001 . 1 . . . . . 248 Thr H . 25426 1 77 . 1 1 13 13 THR HA H 1 4.322 0.000 . 1 . . . . . 248 Thr HA . 25426 1 78 . 1 1 13 13 THR HB H 1 4.215 0.000 . 1 . . . . . 248 Thr HB . 25426 1 79 . 1 1 13 13 THR CA C 13 61.943 0.040 . 1 . . . . . 248 Thr CA . 25426 1 80 . 1 1 13 13 THR CB C 13 69.915 0.033 . 1 . . . . . 248 Thr CB . 25426 1 81 . 1 1 13 13 THR N N 15 116.012 0.012 . 1 . . . . . 248 Thr N . 25426 1 82 . 1 1 14 14 ALA H H 1 8.364 0.001 . 1 . . . . . 249 Ala H . 25426 1 83 . 1 1 14 14 ALA HA H 1 4.361 0.000 . 1 . . . . . 249 Ala HA . 25426 1 84 . 1 1 14 14 ALA HB1 H 1 1.406 0.000 . 1 . . . . . 249 Ala HB1 . 25426 1 85 . 1 1 14 14 ALA HB2 H 1 1.406 0.000 . 1 . . . . . 249 Ala HB2 . 25426 1 86 . 1 1 14 14 ALA HB3 H 1 1.406 0.000 . 1 . . . . . 249 Ala HB3 . 25426 1 87 . 1 1 14 14 ALA C C 13 177.728 0.000 . 1 . . . . . 249 Ala C . 25426 1 88 . 1 1 14 14 ALA CA C 13 52.606 0.000 . 1 . . . . . 249 Ala CA . 25426 1 89 . 1 1 14 14 ALA CB C 13 19.340 0.000 . 1 . . . . . 249 Ala CB . 25426 1 90 . 1 1 14 14 ALA N N 15 126.465 0.047 . 1 . . . . . 249 Ala N . 25426 1 91 . 1 1 15 15 SER H H 1 8.304 0.001 . 1 . . . . . 250 Ser H . 25426 1 92 . 1 1 15 15 SER HA H 1 4.411 0.000 . 1 . . . . . 250 Ser HA . 25426 1 93 . 1 1 15 15 SER HB2 H 1 3.813 0.000 . 1 . . . . . 250 Ser HB2 . 25426 1 94 . 1 1 15 15 SER C C 13 174.552 0.000 . 1 . . . . . 250 Ser C . 25426 1 95 . 1 1 15 15 SER CA C 13 58.406 0.057 . 1 . . . . . 250 Ser CA . 25426 1 96 . 1 1 15 15 SER CB C 13 63.823 0.000 . 1 . . . . . 250 Ser CB . 25426 1 97 . 1 1 15 15 SER N N 15 115.441 0.011 . 1 . . . . . 250 Ser N . 25426 1 98 . 1 1 16 16 ILE H H 1 8.006 0.001 . 1 . . . . . 251 Ile H . 25426 1 99 . 1 1 16 16 ILE HA H 1 4.140 0.000 . 1 . . . . . 251 Ile HA . 25426 1 100 . 1 1 16 16 ILE HB H 1 1.783 0.000 . 1 . . . . . 251 Ile HB . 25426 1 101 . 1 1 16 16 ILE C C 13 175.804 0.000 . 1 . . . . . 251 Ile C . 25426 1 102 . 1 1 16 16 ILE CA C 13 61.328 0.046 . 1 . . . . . 251 Ile CA . 25426 1 103 . 1 1 16 16 ILE CB C 13 38.711 0.031 . 1 . . . . . 251 Ile CB . 25426 1 104 . 1 1 16 16 ILE N N 15 121.834 0.006 . 1 . . . . . 251 Ile N . 25426 1 105 . 1 1 17 17 PHE H H 1 8.219 0.001 . 1 . . . . . 252 Phe H . 25426 1 106 . 1 1 17 17 PHE HA H 1 4.613 0.000 . 1 . . . . . 252 Phe HA . 25426 1 107 . 1 1 17 17 PHE HB2 H 1 2.984 0.000 . 2 . . . . . 252 Phe HB2 . 25426 1 108 . 1 1 17 17 PHE HB3 H 1 3.101 0.000 . 2 . . . . . 252 Phe HB3 . 25426 1 109 . 1 1 17 17 PHE C C 13 175.248 0.000 . 1 . . . . . 252 Phe C . 25426 1 110 . 1 1 17 17 PHE CA C 13 57.679 0.012 . 1 . . . . . 252 Phe CA . 25426 1 111 . 1 1 17 17 PHE CB C 13 39.592 0.018 . 1 . . . . . 252 Phe CB . 25426 1 112 . 1 1 17 17 PHE N N 15 124.133 0.033 . 1 . . . . . 252 Phe N . 25426 1 113 . 1 1 18 18 LYS H H 1 8.098 0.001 . 1 . . . . . 253 Lys H . 25426 1 114 . 1 1 18 18 LYS HA H 1 4.274 0.000 . 1 . . . . . 253 Lys HA . 25426 1 115 . 1 1 18 18 LYS HB2 H 1 1.647 0.000 . 2 . . . . . 253 Lys HB2 . 25426 1 116 . 1 1 18 18 LYS HB3 H 1 1.737 0.000 . 2 . . . . . 253 Lys HB3 . 25426 1 117 . 1 1 18 18 LYS C C 13 175.571 0.000 . 1 . . . . . 253 Lys C . 25426 1 118 . 1 1 18 18 LYS CA C 13 55.711 0.016 . 1 . . . . . 253 Lys CA . 25426 1 119 . 1 1 18 18 LYS CB C 13 33.183 0.004 . 1 . . . . . 253 Lys CB . 25426 1 120 . 1 1 18 18 LYS N N 15 124.144 0.007 . 1 . . . . . 253 Lys N . 25426 1 121 . 1 1 19 19 GLN H H 1 8.310 0.001 . 1 . . . . . 254 Gln H . 25426 1 122 . 1 1 19 19 GLN CA C 13 53.804 0.000 . 1 . . . . . 254 Gln CA . 25426 1 123 . 1 1 19 19 GLN CB C 13 28.742 0.000 . 1 . . . . . 254 Gln CB . 25426 1 124 . 1 1 19 19 GLN N N 15 123.226 0.026 . 1 . . . . . 254 Gln N . 25426 1 125 . 1 1 20 20 PRO HA H 1 4.456 0.000 . 1 . . . . . 255 Pro HA . 25426 1 126 . 1 1 20 20 PRO HB2 H 1 2.287 0.000 . 2 . . . . . 255 Pro HB2 . 25426 1 127 . 1 1 20 20 PRO HB3 H 1 1.896 0.000 . 2 . . . . . 255 Pro HB3 . 25426 1 128 . 1 1 20 20 PRO C C 13 176.782 0.000 . 1 . . . . . 255 Pro C . 25426 1 129 . 1 1 20 20 PRO CA C 13 63.012 0.000 . 1 . . . . . 255 Pro CA . 25426 1 130 . 1 1 20 20 PRO CB C 13 32.117 0.000 . 1 . . . . . 255 Pro CB . 25426 1 131 . 1 1 21 21 VAL H H 1 8.308 0.001 . 1 . . . . . 256 Val H . 25426 1 132 . 1 1 21 21 VAL HA H 1 4.137 0.000 . 1 . . . . . 256 Val HA . 25426 1 133 . 1 1 21 21 VAL HB H 1 2.062 0.000 . 1 . . . . . 256 Val HB . 25426 1 134 . 1 1 21 21 VAL C C 13 176.461 0.000 . 1 . . . . . 256 Val C . 25426 1 135 . 1 1 21 21 VAL CA C 13 62.418 0.009 . 1 . . . . . 256 Val CA . 25426 1 136 . 1 1 21 21 VAL CB C 13 32.676 0.011 . 1 . . . . . 256 Val CB . 25426 1 137 . 1 1 21 21 VAL N N 15 120.837 0.018 . 1 . . . . . 256 Val N . 25426 1 138 . 1 1 22 22 THR H H 1 8.234 0.001 . 1 . . . . . 257 Thr H . 25426 1 139 . 1 1 22 22 THR HA H 1 4.327 0.000 . 1 . . . . . 257 Thr HA . 25426 1 140 . 1 1 22 22 THR HB H 1 4.139 0.000 . 1 . . . . . 257 Thr HB . 25426 1 141 . 1 1 22 22 THR CA C 13 61.855 0.064 . 1 . . . . . 257 Thr CA . 25426 1 142 . 1 1 22 22 THR CB C 13 69.927 0.035 . 1 . . . . . 257 Thr CB . 25426 1 143 . 1 1 22 22 THR N N 15 119.047 0.034 . 1 . . . . . 257 Thr N . 25426 1 144 . 1 1 23 23 LYS H H 1 8.365 0.001 . 1 . . . . . 258 Lys H . 25426 1 145 . 1 1 23 23 LYS HA H 1 4.365 0.000 . 1 . . . . . 258 Lys HA . 25426 1 146 . 1 1 23 23 LYS HB2 H 1 1.731 0.000 . 2 . . . . . 258 Lys HB2 . 25426 1 147 . 1 1 23 23 LYS HB3 H 1 1.806 0.000 . 2 . . . . . 258 Lys HB3 . 25426 1 148 . 1 1 23 23 LYS CA C 13 56.201 0.030 . 1 . . . . . 258 Lys CA . 25426 1 149 . 1 1 23 23 LYS CB C 13 33.187 0.017 . 1 . . . . . 258 Lys CB . 25426 1 150 . 1 1 23 23 LYS N N 15 124.723 0.038 . 1 . . . . . 258 Lys N . 25426 1 151 . 1 1 24 24 VAL H H 1 8.280 0.002 . 1 . . . . . 259 Val H . 25426 1 152 . 1 1 24 24 VAL HA H 1 4.164 0.000 . 1 . . . . . 259 Val HA . 25426 1 153 . 1 1 24 24 VAL HB H 1 2.054 0.000 . 1 . . . . . 259 Val HB . 25426 1 154 . 1 1 24 24 VAL C C 13 176.264 0.000 . 1 . . . . . 259 Val C . 25426 1 155 . 1 1 24 24 VAL CA C 13 62.309 0.005 . 1 . . . . . 259 Val CA . 25426 1 156 . 1 1 24 24 VAL CB C 13 32.711 0.025 . 1 . . . . . 259 Val CB . 25426 1 157 . 1 1 24 24 VAL N N 15 122.615 0.063 . 1 . . . . . 259 Val N . 25426 1 158 . 1 1 25 25 THR H H 1 8.295 0.002 . 1 . . . . . 260 Thr H . 25426 1 159 . 1 1 25 25 THR C C 13 174.480 0.000 . 1 . . . . . 260 Thr C . 25426 1 160 . 1 1 25 25 THR CA C 13 62.163 0.000 . 1 . . . . . 260 Thr CA . 25426 1 161 . 1 1 25 25 THR CB C 13 69.883 0.000 . 1 . . . . . 260 Thr CB . 25426 1 162 . 1 1 25 25 THR N N 15 118.606 0.045 . 1 . . . . . 260 Thr N . 25426 1 163 . 1 1 28 28 PRO HA H 1 4.437 0.000 . 1 . . . . . 263 Pro HA . 25426 1 164 . 1 1 28 28 PRO HB2 H 1 1.942 0.000 . 2 . . . . . 263 Pro HB2 . 25426 1 165 . 1 1 28 28 PRO HB3 H 1 2.297 0.000 . 2 . . . . . 263 Pro HB3 . 25426 1 166 . 1 1 28 28 PRO C C 13 177.116 0.000 . 1 . . . . . 263 Pro C . 25426 1 167 . 1 1 28 28 PRO CA C 13 63.531 0.000 . 1 . . . . . 263 Pro CA . 25426 1 168 . 1 1 28 28 PRO CB C 13 32.060 0.000 . 1 . . . . . 263 Pro CB . 25426 1 169 . 1 1 29 29 SER H H 1 8.724 0.001 . 1 . . . . . 264 Ser H . 25426 1 170 . 1 1 29 29 SER CA C 13 58.659 0.000 . 1 . . . . . 264 Ser CA . 25426 1 171 . 1 1 29 29 SER CB C 13 63.927 0.000 . 1 . . . . . 264 Ser CB . 25426 1 172 . 1 1 29 29 SER N N 15 116.241 0.006 . 1 . . . . . 264 Ser N . 25426 1 173 . 1 1 30 30 ASN HA H 1 4.710 0.000 . 1 . . . . . 265 Asn HA . 25426 1 174 . 1 1 30 30 ASN HB2 H 1 2.819 0.000 . 1 . . . . . 265 Asn HB2 . 25426 1 175 . 1 1 30 30 ASN C C 13 175.124 0.000 . 1 . . . . . 265 Asn C . 25426 1 176 . 1 1 30 30 ASN CA C 13 53.301 0.000 . 1 . . . . . 265 Asn CA . 25426 1 177 . 1 1 30 30 ASN CB C 13 38.713 0.000 . 1 . . . . . 265 Asn CB . 25426 1 178 . 1 1 31 31 LYS H H 1 8.197 0.001 . 1 . . . . . 266 Lys H . 25426 1 179 . 1 1 31 31 LYS HA H 1 4.324 0.000 . 1 . . . . . 266 Lys HA . 25426 1 180 . 1 1 31 31 LYS HB2 H 1 1.705 0.000 . 2 . . . . . 266 Lys HB2 . 25426 1 181 . 1 1 31 31 LYS HB3 H 1 1.830 0.000 . 2 . . . . . 266 Lys HB3 . 25426 1 182 . 1 1 31 31 LYS C C 13 176.474 0.000 . 1 . . . . . 266 Lys C . 25426 1 183 . 1 1 31 31 LYS CA C 13 56.433 0.007 . 1 . . . . . 266 Lys CA . 25426 1 184 . 1 1 31 31 LYS CB C 13 32.964 0.005 . 1 . . . . . 266 Lys CB . 25426 1 185 . 1 1 31 31 LYS N N 15 121.640 0.019 . 1 . . . . . 266 Lys N . 25426 1 186 . 1 1 32 32 VAL H H 1 8.099 0.004 . 1 . . . . . 267 Val H . 25426 1 187 . 1 1 32 32 VAL HA H 1 4.075 0.000 . 1 . . . . . 267 Val HA . 25426 1 188 . 1 1 32 32 VAL HB H 1 2.060 0.000 . 1 . . . . . 267 Val HB . 25426 1 189 . 1 1 32 32 VAL C C 13 176.094 0.000 . 1 . . . . . 267 Val C . 25426 1 190 . 1 1 32 32 VAL CA C 13 62.378 0.002 . 1 . . . . . 267 Val CA . 25426 1 191 . 1 1 32 32 VAL CB C 13 32.712 0.055 . 1 . . . . . 267 Val CB . 25426 1 192 . 1 1 32 32 VAL N N 15 121.546 0.046 . 1 . . . . . 267 Val N . 25426 1 193 . 1 1 33 33 LYS H H 1 8.408 0.002 . 1 . . . . . 268 Lys H . 25426 1 194 . 1 1 33 33 LYS HA H 1 4.345 0.000 . 1 . . . . . 268 Lys HA . 25426 1 195 . 1 1 33 33 LYS HB2 H 1 1.754 0.000 . 2 . . . . . 268 Lys HB2 . 25426 1 196 . 1 1 33 33 LYS HB3 H 1 1.835 0.000 . 2 . . . . . 268 Lys HB3 . 25426 1 197 . 1 1 33 33 LYS C C 13 176.309 0.000 . 1 . . . . . 268 Lys C . 25426 1 198 . 1 1 33 33 LYS CA C 13 56.340 0.002 . 1 . . . . . 268 Lys CA . 25426 1 199 . 1 1 33 33 LYS CB C 13 33.025 0.027 . 1 . . . . . 268 Lys CB . 25426 1 200 . 1 1 33 33 LYS N N 15 125.618 0.024 . 1 . . . . . 268 Lys N . 25426 1 201 . 1 1 34 34 SER H H 1 8.315 0.003 . 1 . . . . . 269 Ser H . 25426 1 202 . 1 1 34 34 SER HA H 1 4.435 0.000 . 1 . . . . . 269 Ser HA . 25426 1 203 . 1 1 34 34 SER HB2 H 1 3.814 0.000 . 1 . . . . . 269 Ser HB2 . 25426 1 204 . 1 1 34 34 SER C C 13 173.730 0.000 . 1 . . . . . 269 Ser C . 25426 1 205 . 1 1 34 34 SER CA C 13 58.062 0.029 . 1 . . . . . 269 Ser CA . 25426 1 206 . 1 1 34 34 SER CB C 13 64.017 0.012 . 1 . . . . . 269 Ser CB . 25426 1 207 . 1 1 34 34 SER N N 15 117.755 0.033 . 1 . . . . . 269 Ser N . 25426 1 208 . 1 1 35 35 ASP H H 1 8.424 0.001 . 1 . . . . . 270 Asp H . 25426 1 209 . 1 1 35 35 ASP CA C 13 52.403 0.000 . 1 . . . . . 270 Asp CA . 25426 1 210 . 1 1 35 35 ASP CB C 13 41.158 0.000 . 1 . . . . . 270 Asp CB . 25426 1 211 . 1 1 35 35 ASP N N 15 123.782 0.032 . 1 . . . . . 270 Asp N . 25426 1 212 . 1 1 36 36 PRO HA H 1 4.393 0.000 . 1 . . . . . 271 Pro HA . 25426 1 213 . 1 1 36 36 PRO HB2 H 1 2.304 0.000 . 2 . . . . . 271 Pro HB2 . 25426 1 214 . 1 1 36 36 PRO HB3 H 1 1.935 0.000 . 2 . . . . . 271 Pro HB3 . 25426 1 215 . 1 1 36 36 PRO C C 13 177.317 0.000 . 1 . . . . . 271 Pro C . 25426 1 216 . 1 1 36 36 PRO CA C 13 63.770 0.000 . 1 . . . . . 271 Pro CA . 25426 1 217 . 1 1 36 36 PRO CB C 13 32.071 0.000 . 1 . . . . . 271 Pro CB . 25426 1 218 . 1 1 37 37 GLN H H 1 8.451 0.002 . 1 . . . . . 272 Gln H . 25426 1 219 . 1 1 37 37 GLN HA H 1 4.265 0.000 . 1 . . . . . 272 Gln HA . 25426 1 220 . 1 1 37 37 GLN HB2 H 1 2.015 0.000 . 2 . . . . . 272 Gln HB2 . 25426 1 221 . 1 1 37 37 GLN HB3 H 1 2.118 0.000 . 2 . . . . . 272 Gln HB3 . 25426 1 222 . 1 1 37 37 GLN C C 13 176.297 0.000 . 1 . . . . . 272 Gln C . 25426 1 223 . 1 1 37 37 GLN CA C 13 56.196 0.006 . 1 . . . . . 272 Gln CA . 25426 1 224 . 1 1 37 37 GLN CB C 13 29.146 0.016 . 1 . . . . . 272 Gln CB . 25426 1 225 . 1 1 37 37 GLN N N 15 119.014 0.028 . 1 . . . . . 272 Gln N . 25426 1 226 . 1 1 38 38 ARG H H 1 8.157 0.003 . 1 . . . . . 273 Arg H . 25426 1 227 . 1 1 38 38 ARG HA H 1 4.247 0.000 . 1 . . . . . 273 Arg HA . 25426 1 228 . 1 1 38 38 ARG HB2 H 1 1.759 0.000 . 1 . . . . . 273 Arg HB2 . 25426 1 229 . 1 1 38 38 ARG CA C 13 56.317 0.000 . 1 . . . . . 273 Arg CA . 25426 1 230 . 1 1 38 38 ARG CB C 13 30.510 0.000 . 1 . . . . . 273 Arg CB . 25426 1 231 . 1 1 38 38 ARG N N 15 121.371 0.082 . 1 . . . . . 273 Arg N . 25426 1 232 . 1 1 39 39 MET H H 1 8.345 0.001 . 1 . . . . . 274 Met H . 25426 1 233 . 1 1 39 39 MET HA H 1 4.423 0.000 . 1 . . . . . 274 Met HA . 25426 1 234 . 1 1 39 39 MET HB2 H 1 2.062 0.000 . 1 . . . . . 274 Met HB2 . 25426 1 235 . 1 1 39 39 MET C C 13 176.196 0.000 . 1 . . . . . 274 Met C . 25426 1 236 . 1 1 39 39 MET CA C 13 56.028 0.000 . 1 . . . . . 274 Met CA . 25426 1 237 . 1 1 39 39 MET N N 15 121.238 0.037 . 1 . . . . . 274 Met N . 25426 1 238 . 1 1 40 40 ASN H H 1 8.475 0.009 . 1 . . . . . 275 Asn H . 25426 1 239 . 1 1 40 40 ASN HA H 1 4.664 0.000 . 1 . . . . . 275 Asn HA . 25426 1 240 . 1 1 40 40 ASN HB2 H 1 2.744 0.000 . 2 . . . . . 275 Asn HB2 . 25426 1 241 . 1 1 40 40 ASN HB3 H 1 2.842 0.000 . 2 . . . . . 275 Asn HB3 . 25426 1 242 . 1 1 40 40 ASN C C 13 174.972 0.000 . 1 . . . . . 275 Asn C . 25426 1 243 . 1 1 40 40 ASN CA C 13 53.564 0.044 . 1 . . . . . 275 Asn CA . 25426 1 244 . 1 1 40 40 ASN CB C 13 38.746 0.010 . 1 . . . . . 275 Asn CB . 25426 1 245 . 1 1 40 40 ASN N N 15 119.174 0.053 . 1 . . . . . 275 Asn N . 25426 1 246 . 1 1 41 41 GLU H H 1 8.211 0.003 . 1 . . . . . 276 Glu H . 25426 1 247 . 1 1 41 41 GLU HA H 1 4.296 0.000 . 1 . . . . . 276 Glu HA . 25426 1 248 . 1 1 41 41 GLU HB2 H 1 1.921 0.000 . 2 . . . . . 276 Glu HB2 . 25426 1 249 . 1 1 41 41 GLU HB3 H 1 2.033 0.000 . 2 . . . . . 276 Glu HB3 . 25426 1 250 . 1 1 41 41 GLU C C 13 176.188 0.000 . 1 . . . . . 276 Glu C . 25426 1 251 . 1 1 41 41 GLU CA C 13 56.457 0.004 . 1 . . . . . 276 Glu CA . 25426 1 252 . 1 1 41 41 GLU CB C 13 30.457 0.023 . 1 . . . . . 276 Glu CB . 25426 1 253 . 1 1 41 41 GLU N N 15 120.673 0.083 . 1 . . . . . 276 Glu N . 25426 1 254 . 1 1 42 42 GLN H H 1 8.408 0.001 . 1 . . . . . 277 Gln H . 25426 1 255 . 1 1 42 42 GLN CA C 13 53.890 0.000 . 1 . . . . . 277 Gln CA . 25426 1 256 . 1 1 42 42 GLN CB C 13 28.743 0.000 . 1 . . . . . 277 Gln CB . 25426 1 257 . 1 1 42 42 GLN N N 15 122.555 0.011 . 1 . . . . . 277 Gln N . 25426 1 258 . 1 1 43 43 PRO HA H 1 4.398 0.000 . 1 . . . . . 278 Pro HA . 25426 1 259 . 1 1 43 43 PRO HB2 H 1 2.283 0.000 . 2 . . . . . 278 Pro HB2 . 25426 1 260 . 1 1 43 43 PRO HB3 H 1 1.868 0.000 . 2 . . . . . 278 Pro HB3 . 25426 1 261 . 1 1 43 43 PRO CA C 13 63.311 0.000 . 1 . . . . . 278 Pro CA . 25426 1 262 . 1 1 43 43 PRO CB C 13 32.061 0.000 . 1 . . . . . 278 Pro CB . 25426 1 263 . 1 1 44 44 ARG H H 1 8.428 0.001 . 1 . . . . . 279 Arg H . 25426 1 264 . 1 1 44 44 ARG CA C 13 56.355 0.000 . 1 . . . . . 279 Arg CA . 25426 1 265 . 1 1 44 44 ARG CB C 13 30.809 0.000 . 1 . . . . . 279 Arg CB . 25426 1 266 . 1 1 44 44 ARG N N 15 121.344 0.076 . 1 . . . . . 279 Arg N . 25426 1 267 . 1 1 45 45 GLN HA H 1 4.233 0.000 . 1 . . . . . 280 Gln HA . 25426 1 268 . 1 1 45 45 GLN HB2 H 1 1.930 0.000 . 1 . . . . . 280 Gln HB2 . 25426 1 269 . 1 1 45 45 GLN C C 13 175.738 0.000 . 1 . . . . . 280 Gln C . 25426 1 270 . 1 1 45 45 GLN CA C 13 55.953 0.000 . 1 . . . . . 280 Gln CA . 25426 1 271 . 1 1 45 45 GLN CB C 13 29.369 0.000 . 1 . . . . . 280 Gln CB . 25426 1 272 . 1 1 46 46 LEU H H 1 8.221 0.001 . 1 . . . . . 281 Leu H . 25426 1 273 . 1 1 46 46 LEU HA H 1 4.218 0.000 . 1 . . . . . 281 Leu HA . 25426 1 274 . 1 1 46 46 LEU HB2 H 1 1.282 0.000 . 2 . . . . . 281 Leu HB2 . 25426 1 275 . 1 1 46 46 LEU HB3 H 1 1.464 0.000 . 2 . . . . . 281 Leu HB3 . 25426 1 276 . 1 1 46 46 LEU C C 13 177.229 0.000 . 1 . . . . . 281 Leu C . 25426 1 277 . 1 1 46 46 LEU CA C 13 55.459 0.090 . 1 . . . . . 281 Leu CA . 25426 1 278 . 1 1 46 46 LEU CB C 13 42.247 0.031 . 1 . . . . . 281 Leu CB . 25426 1 279 . 1 1 46 46 LEU N N 15 123.165 0.023 . 1 . . . . . 281 Leu N . 25426 1 280 . 1 1 47 47 PHE H H 1 8.131 0.001 . 1 . . . . . 282 Phe H . 25426 1 281 . 1 1 47 47 PHE HA H 1 4.499 0.000 . 1 . . . . . 282 Phe HA . 25426 1 282 . 1 1 47 47 PHE HB2 H 1 3.020 0.000 . 1 . . . . . 282 Phe HB2 . 25426 1 283 . 1 1 47 47 PHE C C 13 175.789 0.000 . 1 . . . . . 282 Phe C . 25426 1 284 . 1 1 47 47 PHE CA C 13 58.293 0.048 . 1 . . . . . 282 Phe CA . 25426 1 285 . 1 1 47 47 PHE CB C 13 39.245 0.036 . 1 . . . . . 282 Phe CB . 25426 1 286 . 1 1 47 47 PHE N N 15 119.612 0.023 . 1 . . . . . 282 Phe N . 25426 1 287 . 1 1 48 48 TRP H H 1 7.913 0.001 . 1 . . . . . 283 Trp H . 25426 1 288 . 1 1 48 48 TRP HA H 1 4.523 0.000 . 1 . . . . . 283 Trp HA . 25426 1 289 . 1 1 48 48 TRP HB2 H 1 3.234 0.000 . 1 . . . . . 283 Trp HB2 . 25426 1 290 . 1 1 48 48 TRP C C 13 176.332 0.000 . 1 . . . . . 283 Trp C . 25426 1 291 . 1 1 48 48 TRP CA C 13 57.744 0.000 . 1 . . . . . 283 Trp CA . 25426 1 292 . 1 1 48 48 TRP CB C 13 29.548 0.000 . 1 . . . . . 283 Trp CB . 25426 1 293 . 1 1 48 48 TRP N N 15 121.525 0.011 . 1 . . . . . 283 Trp N . 25426 1 294 . 1 1 49 49 GLU H H 1 8.145 0.001 . 1 . . . . . 284 Glu H . 25426 1 295 . 1 1 49 49 GLU HA H 1 4.066 0.000 . 1 . . . . . 284 Glu HA . 25426 1 296 . 1 1 49 49 GLU HB2 H 1 1.925 0.000 . 2 . . . . . 284 Glu HB2 . 25426 1 297 . 1 1 49 49 GLU HB3 H 1 1.849 0.000 . 2 . . . . . 284 Glu HB3 . 25426 1 298 . 1 1 49 49 GLU C C 13 176.669 0.000 . 1 . . . . . 284 Glu C . 25426 1 299 . 1 1 49 49 GLU CA C 13 57.280 0.044 . 1 . . . . . 284 Glu CA . 25426 1 300 . 1 1 49 49 GLU CB C 13 30.133 0.015 . 1 . . . . . 284 Glu CB . 25426 1 301 . 1 1 49 49 GLU N N 15 121.722 0.045 . 1 . . . . . 284 Glu N . 25426 1 302 . 1 1 50 50 LYS H H 1 8.079 0.002 . 1 . . . . . 285 Lys H . 25426 1 303 . 1 1 50 50 LYS HA H 1 4.148 0.000 . 1 . . . . . 285 Lys HA . 25426 1 304 . 1 1 50 50 LYS HB2 H 1 1.736 0.000 . 1 . . . . . 285 Lys HB2 . 25426 1 305 . 1 1 50 50 LYS C C 13 177.012 0.000 . 1 . . . . . 285 Lys C . 25426 1 306 . 1 1 50 50 LYS CA C 13 56.965 0.043 . 1 . . . . . 285 Lys CA . 25426 1 307 . 1 1 50 50 LYS CB C 13 32.549 0.015 . 1 . . . . . 285 Lys CB . 25426 1 308 . 1 1 50 50 LYS N N 15 121.315 0.050 . 1 . . . . . 285 Lys N . 25426 1 309 . 1 1 51 51 ARG H H 1 8.145 0.007 . 1 . . . . . 286 Arg H . 25426 1 310 . 1 1 51 51 ARG HA H 1 4.264 0.000 . 1 . . . . . 286 Arg HA . 25426 1 311 . 1 1 51 51 ARG HB2 H 1 1.767 0.000 . 1 . . . . . 286 Arg HB2 . 25426 1 312 . 1 1 51 51 ARG C C 13 176.584 0.000 . 1 . . . . . 286 Arg C . 25426 1 313 . 1 1 51 51 ARG CA C 13 56.603 0.000 . 1 . . . . . 286 Arg CA . 25426 1 314 . 1 1 51 51 ARG CB C 13 30.428 0.000 . 1 . . . . . 286 Arg CB . 25426 1 315 . 1 1 51 51 ARG N N 15 121.124 0.088 . 1 . . . . . 286 Arg N . 25426 1 316 . 1 1 52 52 LEU H H 1 8.135 0.002 . 1 . . . . . 287 Leu H . 25426 1 317 . 1 1 52 52 LEU HA H 1 4.303 0.000 . 1 . . . . . 287 Leu HA . 25426 1 318 . 1 1 52 52 LEU HB2 H 1 1.573 0.000 . 2 . . . . . 287 Leu HB2 . 25426 1 319 . 1 1 52 52 LEU HB3 H 1 1.658 0.000 . 2 . . . . . 287 Leu HB3 . 25426 1 320 . 1 1 52 52 LEU C C 13 177.451 0.000 . 1 . . . . . 287 Leu C . 25426 1 321 . 1 1 52 52 LEU CA C 13 55.416 0.053 . 1 . . . . . 287 Leu CA . 25426 1 322 . 1 1 52 52 LEU CB C 13 42.095 0.031 . 1 . . . . . 287 Leu CB . 25426 1 323 . 1 1 52 52 LEU N N 15 122.131 0.033 . 1 . . . . . 287 Leu N . 25426 1 324 . 1 1 53 53 GLN H H 1 8.164 0.002 . 1 . . . . . 288 Gln H . 25426 1 325 . 1 1 53 53 GLN HA H 1 4.278 0.000 . 1 . . . . . 288 Gln HA . 25426 1 326 . 1 1 53 53 GLN HB2 H 1 2.010 0.000 . 2 . . . . . 288 Gln HB2 . 25426 1 327 . 1 1 53 53 GLN HB3 H 1 2.111 0.000 . 2 . . . . . 288 Gln HB3 . 25426 1 328 . 1 1 53 53 GLN C C 13 176.410 0.000 . 1 . . . . . 288 Gln C . 25426 1 329 . 1 1 53 53 GLN CA C 13 56.300 0.002 . 1 . . . . . 288 Gln CA . 25426 1 330 . 1 1 53 53 GLN CB C 13 29.388 0.010 . 1 . . . . . 288 Gln CB . 25426 1 331 . 1 1 53 53 GLN N N 15 120.107 0.017 . 1 . . . . . 288 Gln N . 25426 1 332 . 1 1 54 54 GLY H H 1 8.336 0.001 . 1 . . . . . 289 Gly H . 25426 1 333 . 1 1 54 54 GLY HA2 H 1 3.946 0.000 . 1 . . . . . 289 Gly HA2 . 25426 1 334 . 1 1 54 54 GLY C C 13 174.103 0.000 . 1 . . . . . 289 Gly C . 25426 1 335 . 1 1 54 54 GLY CA C 13 45.359 0.016 . 1 . . . . . 289 Gly CA . 25426 1 336 . 1 1 54 54 GLY N N 15 109.560 0.003 . 1 . . . . . 289 Gly N . 25426 1 337 . 1 1 55 55 LEU H H 1 8.039 0.001 . 1 . . . . . 290 Leu H . 25426 1 338 . 1 1 55 55 LEU HA H 1 4.409 0.000 . 1 . . . . . 290 Leu HA . 25426 1 339 . 1 1 55 55 LEU HB2 H 1 1.625 0.000 . 1 . . . . . 290 Leu HB2 . 25426 1 340 . 1 1 55 55 LEU C C 13 177.530 0.000 . 1 . . . . . 290 Leu C . 25426 1 341 . 1 1 55 55 LEU CA C 13 55.216 0.056 . 1 . . . . . 290 Leu CA . 25426 1 342 . 1 1 55 55 LEU CB C 13 42.589 0.030 . 1 . . . . . 290 Leu CB . 25426 1 343 . 1 1 55 55 LEU N N 15 121.457 0.007 . 1 . . . . . 290 Leu N . 25426 1 344 . 1 1 56 56 SER H H 1 8.456 0.001 . 1 . . . . . 291 Ser H . 25426 1 345 . 1 1 56 56 SER HA H 1 4.479 0.000 . 1 . . . . . 291 Ser HA . 25426 1 346 . 1 1 56 56 SER HB2 H 1 3.891 0.000 . 1 . . . . . 291 Ser HB2 . 25426 1 347 . 1 1 56 56 SER C C 13 174.448 0.000 . 1 . . . . . 291 Ser C . 25426 1 348 . 1 1 56 56 SER CA C 13 58.104 0.026 . 1 . . . . . 291 Ser CA . 25426 1 349 . 1 1 56 56 SER CB C 13 64.197 0.005 . 1 . . . . . 291 Ser CB . 25426 1 350 . 1 1 56 56 SER N N 15 116.744 0.004 . 1 . . . . . 291 Ser N . 25426 1 351 . 1 1 57 57 ALA H H 1 8.430 0.001 . 1 . . . . . 292 Ala H . 25426 1 352 . 1 1 57 57 ALA HA H 1 4.314 0.000 . 1 . . . . . 292 Ala HA . 25426 1 353 . 1 1 57 57 ALA HB1 H 1 1.409 0.000 . 1 . . . . . 292 Ala HB1 . 25426 1 354 . 1 1 57 57 ALA HB2 H 1 1.409 0.000 . 1 . . . . . 292 Ala HB2 . 25426 1 355 . 1 1 57 57 ALA HB3 H 1 1.409 0.000 . 1 . . . . . 292 Ala HB3 . 25426 1 356 . 1 1 57 57 ALA C C 13 178.058 0.000 . 1 . . . . . 292 Ala C . 25426 1 357 . 1 1 57 57 ALA CA C 13 53.157 0.007 . 1 . . . . . 292 Ala CA . 25426 1 358 . 1 1 57 57 ALA CB C 13 19.090 0.005 . 1 . . . . . 292 Ala CB . 25426 1 359 . 1 1 57 57 ALA N N 15 125.884 0.020 . 1 . . . . . 292 Ala N . 25426 1 360 . 1 1 58 58 SER H H 1 8.219 0.001 . 1 . . . . . 293 Ser H . 25426 1 361 . 1 1 58 58 SER HA H 1 4.410 0.000 . 1 . . . . . 293 Ser HA . 25426 1 362 . 1 1 58 58 SER HB2 H 1 3.859 0.000 . 1 . . . . . 293 Ser HB2 . 25426 1 363 . 1 1 58 58 SER C C 13 174.422 0.000 . 1 . . . . . 293 Ser C . 25426 1 364 . 1 1 58 58 SER CA C 13 58.767 0.036 . 1 . . . . . 293 Ser CA . 25426 1 365 . 1 1 58 58 SER CB C 13 63.786 0.004 . 1 . . . . . 293 Ser CB . 25426 1 366 . 1 1 58 58 SER N N 15 113.931 0.004 . 1 . . . . . 293 Ser N . 25426 1 367 . 1 1 59 59 ASP H H 1 8.213 0.001 . 1 . . . . . 294 Asp H . 25426 1 368 . 1 1 59 59 ASP HA H 1 4.628 0.000 . 1 . . . . . 294 Asp HA . 25426 1 369 . 1 1 59 59 ASP HB2 H 1 2.699 0.000 . 1 . . . . . 294 Asp HB2 . 25426 1 370 . 1 1 59 59 ASP C C 13 176.570 0.000 . 1 . . . . . 294 Asp C . 25426 1 371 . 1 1 59 59 ASP CA C 13 54.768 0.002 . 1 . . . . . 294 Asp CA . 25426 1 372 . 1 1 59 59 ASP CB C 13 41.249 0.010 . 1 . . . . . 294 Asp CB . 25426 1 373 . 1 1 59 59 ASP N N 15 122.218 0.010 . 1 . . . . . 294 Asp N . 25426 1 374 . 1 1 60 60 VAL H H 1 8.023 0.001 . 1 . . . . . 295 Val H . 25426 1 375 . 1 1 60 60 VAL HA H 1 4.136 0.000 . 1 . . . . . 295 Val HA . 25426 1 376 . 1 1 60 60 VAL HB H 1 2.146 0.000 . 1 . . . . . 295 Val HB . 25426 1 377 . 1 1 60 60 VAL C C 13 176.591 0.000 . 1 . . . . . 295 Val C . 25426 1 378 . 1 1 60 60 VAL CA C 13 62.931 0.050 . 1 . . . . . 295 Val CA . 25426 1 379 . 1 1 60 60 VAL CB C 13 32.473 0.055 . 1 . . . . . 295 Val CB . 25426 1 380 . 1 1 60 60 VAL N N 15 119.629 0.034 . 1 . . . . . 295 Val N . 25426 1 381 . 1 1 61 61 THR H H 1 8.143 0.001 . 1 . . . . . 296 Thr H . 25426 1 382 . 1 1 61 61 THR HA H 1 4.249 0.000 . 1 . . . . . 296 Thr HA . 25426 1 383 . 1 1 61 61 THR C C 13 174.822 0.000 . 1 . . . . . 296 Thr C . 25426 1 384 . 1 1 61 61 THR CA C 13 62.804 0.032 . 1 . . . . . 296 Thr CA . 25426 1 385 . 1 1 61 61 THR CB C 13 69.772 0.044 . 1 . . . . . 296 Thr CB . 25426 1 386 . 1 1 61 61 THR N N 15 117.149 0.012 . 1 . . . . . 296 Thr N . 25426 1 387 . 1 1 62 62 GLU H H 1 8.314 0.005 . 1 . . . . . 297 Glu H . 25426 1 388 . 1 1 62 62 GLU HA H 1 4.220 0.000 . 1 . . . . . 297 Glu HA . 25426 1 389 . 1 1 62 62 GLU HB2 H 1 2.031 0.000 . 1 . . . . . 297 Glu HB2 . 25426 1 390 . 1 1 62 62 GLU C C 13 176.647 0.000 . 1 . . . . . 297 Glu C . 25426 1 391 . 1 1 62 62 GLU CA C 13 57.152 0.055 . 1 . . . . . 297 Glu CA . 25426 1 392 . 1 1 62 62 GLU CB C 13 30.163 0.008 . 1 . . . . . 297 Glu CB . 25426 1 393 . 1 1 62 62 GLU N N 15 122.744 0.048 . 1 . . . . . 297 Glu N . 25426 1 394 . 1 1 63 63 GLN H H 1 8.260 0.005 . 1 . . . . . 298 Gln H . 25426 1 395 . 1 1 63 63 GLN HA H 1 4.266 0.000 . 1 . . . . . 298 Gln HA . 25426 1 396 . 1 1 63 63 GLN HB2 H 1 2.079 0.000 . 2 . . . . . 298 Gln HB2 . 25426 1 397 . 1 1 63 63 GLN HB3 H 1 1.973 0.000 . 2 . . . . . 298 Gln HB3 . 25426 1 398 . 1 1 63 63 GLN C C 13 176.284 0.000 . 1 . . . . . 298 Gln C . 25426 1 399 . 1 1 63 63 GLN CA C 13 56.358 0.003 . 1 . . . . . 298 Gln CA . 25426 1 400 . 1 1 63 63 GLN CB C 13 29.239 0.060 . 1 . . . . . 298 Gln CB . 25426 1 401 . 1 1 63 63 GLN N N 15 120.590 0.032 . 1 . . . . . 298 Gln N . 25426 1 402 . 1 1 64 64 ILE H H 1 8.128 0.008 . 1 . . . . . 299 Ile H . 25426 1 403 . 1 1 64 64 ILE HA H 1 4.087 0.000 . 1 . . . . . 299 Ile HA . 25426 1 404 . 1 1 64 64 ILE HB H 1 1.850 0.000 . 1 . . . . . 299 Ile HB . 25426 1 405 . 1 1 64 64 ILE C C 13 176.456 0.000 . 1 . . . . . 299 Ile C . 25426 1 406 . 1 1 64 64 ILE CA C 13 61.728 0.036 . 1 . . . . . 299 Ile CA . 25426 1 407 . 1 1 64 64 ILE CB C 13 38.475 0.020 . 1 . . . . . 299 Ile CB . 25426 1 408 . 1 1 64 64 ILE N N 15 122.302 0.040 . 1 . . . . . 299 Ile N . 25426 1 409 . 1 1 65 65 ILE H H 1 8.213 0.001 . 1 . . . . . 300 Ile H . 25426 1 410 . 1 1 65 65 ILE HA H 1 4.078 0.000 . 1 . . . . . 300 Ile HA . 25426 1 411 . 1 1 65 65 ILE HB H 1 1.860 0.000 . 1 . . . . . 300 Ile HB . 25426 1 412 . 1 1 65 65 ILE C C 13 176.541 0.000 . 1 . . . . . 300 Ile C . 25426 1 413 . 1 1 65 65 ILE CA C 13 61.669 0.000 . 1 . . . . . 300 Ile CA . 25426 1 414 . 1 1 65 65 ILE CB C 13 38.240 0.071 . 1 . . . . . 300 Ile CB . 25426 1 415 . 1 1 65 65 ILE N N 15 124.897 0.039 . 1 . . . . . 300 Ile N . 25426 1 416 . 1 1 66 66 LYS H H 1 8.315 0.001 . 1 . . . . . 301 Lys H . 25426 1 417 . 1 1 66 66 LYS HA H 1 4.358 0.000 . 1 . . . . . 301 Lys HA . 25426 1 418 . 1 1 66 66 LYS HB2 H 1 1.789 0.000 . 2 . . . . . 301 Lys HB2 . 25426 1 419 . 1 1 66 66 LYS HB3 H 1 1.842 0.000 . 2 . . . . . 301 Lys HB3 . 25426 1 420 . 1 1 66 66 LYS C C 13 176.919 0.000 . 1 . . . . . 301 Lys C . 25426 1 421 . 1 1 66 66 LYS CA C 13 56.743 0.050 . 1 . . . . . 301 Lys CA . 25426 1 422 . 1 1 66 66 LYS CB C 13 32.954 0.019 . 1 . . . . . 301 Lys CB . 25426 1 423 . 1 1 66 66 LYS N N 15 124.655 0.011 . 1 . . . . . 301 Lys N . 25426 1 424 . 1 1 67 67 THR H H 1 8.076 0.002 . 1 . . . . . 302 Thr H . 25426 1 425 . 1 1 67 67 THR HA H 1 4.467 0.000 . 1 . . . . . 302 Thr HA . 25426 1 426 . 1 1 67 67 THR HB H 1 4.240 0.000 . 1 . . . . . 302 Thr HB . 25426 1 427 . 1 1 67 67 THR C C 13 174.533 0.000 . 1 . . . . . 302 Thr C . 25426 1 428 . 1 1 67 67 THR CA C 13 62.220 0.080 . 1 . . . . . 302 Thr CA . 25426 1 429 . 1 1 67 67 THR CB C 13 69.831 0.076 . 1 . . . . . 302 Thr CB . 25426 1 430 . 1 1 67 67 THR N N 15 114.977 0.030 . 1 . . . . . 302 Thr N . 25426 1 431 . 1 1 68 68 MET H H 1 8.273 0.007 . 1 . . . . . 303 Met H . 25426 1 432 . 1 1 68 68 MET HA H 1 4.594 0.000 . 1 . . . . . 303 Met HA . 25426 1 433 . 1 1 68 68 MET HB2 H 1 2.074 0.000 . 1 . . . . . 303 Met HB2 . 25426 1 434 . 1 1 68 68 MET C C 13 175.738 0.000 . 1 . . . . . 303 Met C . 25426 1 435 . 1 1 68 68 MET CA C 13 55.654 0.057 . 1 . . . . . 303 Met CA . 25426 1 436 . 1 1 68 68 MET CB C 13 32.868 0.039 . 1 . . . . . 303 Met CB . 25426 1 437 . 1 1 68 68 MET N N 15 122.175 0.049 . 1 . . . . . 303 Met N . 25426 1 438 . 1 1 69 69 GLU H H 1 8.265 0.005 . 1 . . . . . 304 Glu H . 25426 1 439 . 1 1 69 69 GLU HA H 1 4.301 0.000 . 1 . . . . . 304 Glu HA . 25426 1 440 . 1 1 69 69 GLU HB2 H 1 1.912 0.000 . 2 . . . . . 304 Glu HB2 . 25426 1 441 . 1 1 69 69 GLU HB3 H 1 2.008 0.000 . 2 . . . . . 304 Glu HB3 . 25426 1 442 . 1 1 69 69 GLU C C 13 176.006 0.000 . 1 . . . . . 304 Glu C . 25426 1 443 . 1 1 69 69 GLU CA C 13 56.184 0.013 . 1 . . . . . 304 Glu CA . 25426 1 444 . 1 1 69 69 GLU CB C 13 30.427 0.028 . 1 . . . . . 304 Glu CB . 25426 1 445 . 1 1 69 69 GLU N N 15 122.123 0.094 . 1 . . . . . 304 Glu N . 25426 1 446 . 1 1 70 70 LEU H H 1 8.284 0.001 . 1 . . . . . 305 Leu H . 25426 1 447 . 1 1 70 70 LEU CA C 13 53.144 0.000 . 1 . . . . . 305 Leu CA . 25426 1 448 . 1 1 70 70 LEU CB C 13 41.652 0.000 . 1 . . . . . 305 Leu CB . 25426 1 449 . 1 1 70 70 LEU N N 15 125.006 0.014 . 1 . . . . . 305 Leu N . 25426 1 450 . 1 1 71 71 PRO HA H 1 4.412 0.000 . 1 . . . . . 306 Pro HA . 25426 1 451 . 1 1 71 71 PRO HB2 H 1 2.303 0.000 . 2 . . . . . 306 Pro HB2 . 25426 1 452 . 1 1 71 71 PRO HB3 H 1 1.872 0.000 . 2 . . . . . 306 Pro HB3 . 25426 1 453 . 1 1 71 71 PRO C C 13 176.958 0.000 . 1 . . . . . 306 Pro C . 25426 1 454 . 1 1 71 71 PRO CA C 13 63.070 0.000 . 1 . . . . . 306 Pro CA . 25426 1 455 . 1 1 71 71 PRO CB C 13 32.030 0.000 . 1 . . . . . 306 Pro CB . 25426 1 456 . 1 1 72 72 LYS H H 1 8.452 0.002 . 1 . . . . . 307 Lys H . 25426 1 457 . 1 1 72 72 LYS HA H 1 4.255 0.000 . 1 . . . . . 307 Lys HA . 25426 1 458 . 1 1 72 72 LYS HB2 H 1 1.795 0.000 . 1 . . . . . 307 Lys HB2 . 25426 1 459 . 1 1 72 72 LYS C C 13 177.444 0.000 . 1 . . . . . 307 Lys C . 25426 1 460 . 1 1 72 72 LYS CA C 13 56.671 0.048 . 1 . . . . . 307 Lys CA . 25426 1 461 . 1 1 72 72 LYS CB C 13 33.018 0.009 . 1 . . . . . 307 Lys CB . 25426 1 462 . 1 1 72 72 LYS N N 15 121.746 0.025 . 1 . . . . . 307 Lys N . 25426 1 463 . 1 1 73 73 GLY H H 1 8.416 0.001 . 1 . . . . . 308 Gly H . 25426 1 464 . 1 1 73 73 GLY HA2 H 1 3.943 0.000 . 1 . . . . . 308 Gly HA2 . 25426 1 465 . 1 1 73 73 GLY C C 13 174.163 0.000 . 1 . . . . . 308 Gly C . 25426 1 466 . 1 1 73 73 GLY CA C 13 45.318 0.015 . 1 . . . . . 308 Gly CA . 25426 1 467 . 1 1 73 73 GLY N N 15 109.311 0.048 . 1 . . . . . 308 Gly N . 25426 1 468 . 1 1 74 74 LEU H H 1 8.105 0.002 . 1 . . . . . 309 Leu H . 25426 1 469 . 1 1 74 74 LEU HA H 1 4.362 0.000 . 1 . . . . . 309 Leu HA . 25426 1 470 . 1 1 74 74 LEU HB2 H 1 1.608 0.000 . 1 . . . . . 309 Leu HB2 . 25426 1 471 . 1 1 74 74 LEU C C 13 177.421 0.000 . 1 . . . . . 309 Leu C . 25426 1 472 . 1 1 74 74 LEU CA C 13 55.138 0.000 . 1 . . . . . 309 Leu CA . 25426 1 473 . 1 1 74 74 LEU CB C 13 42.388 0.000 . 1 . . . . . 309 Leu CB . 25426 1 474 . 1 1 74 74 LEU N N 15 121.498 0.009 . 1 . . . . . 309 Leu N . 25426 1 475 . 1 1 75 75 GLN H H 1 8.372 0.001 . 1 . . . . . 310 Gln H . 25426 1 476 . 1 1 75 75 GLN HA H 1 4.329 0.000 . 1 . . . . . 310 Gln HA . 25426 1 477 . 1 1 75 75 GLN HB2 H 1 2.010 0.000 . 2 . . . . . 310 Gln HB2 . 25426 1 478 . 1 1 75 75 GLN HB3 H 1 2.120 0.000 . 2 . . . . . 310 Gln HB3 . 25426 1 479 . 1 1 75 75 GLN C C 13 176.394 0.000 . 1 . . . . . 310 Gln C . 25426 1 480 . 1 1 75 75 GLN CA C 13 56.047 0.009 . 1 . . . . . 310 Gln CA . 25426 1 481 . 1 1 75 75 GLN CB C 13 29.408 0.009 . 1 . . . . . 310 Gln CB . 25426 1 482 . 1 1 75 75 GLN N N 15 120.843 0.005 . 1 . . . . . 310 Gln N . 25426 1 483 . 1 1 76 76 GLY H H 1 8.407 0.001 . 1 . . . . . 311 Gly H . 25426 1 484 . 1 1 76 76 GLY HA2 H 1 3.958 0.000 . 1 . . . . . 311 Gly HA2 . 25426 1 485 . 1 1 76 76 GLY C C 13 173.874 0.000 . 1 . . . . . 311 Gly C . 25426 1 486 . 1 1 76 76 GLY CA C 13 45.342 0.020 . 1 . . . . . 311 Gly CA . 25426 1 487 . 1 1 76 76 GLY N N 15 110.181 0.006 . 1 . . . . . 311 Gly N . 25426 1 488 . 1 1 77 77 VAL H H 1 7.951 0.001 . 1 . . . . . 312 Val H . 25426 1 489 . 1 1 77 77 VAL HA H 1 4.226 0.000 . 1 . . . . . 312 Val HA . 25426 1 490 . 1 1 77 77 VAL HB H 1 2.115 0.000 . 1 . . . . . 312 Val HB . 25426 1 491 . 1 1 77 77 VAL C C 13 176.355 0.000 . 1 . . . . . 312 Val C . 25426 1 492 . 1 1 77 77 VAL CA C 13 61.989 0.031 . 1 . . . . . 312 Val CA . 25426 1 493 . 1 1 77 77 VAL CB C 13 32.853 0.000 . 1 . . . . . 312 Val CB . 25426 1 494 . 1 1 77 77 VAL N N 15 118.281 0.011 . 1 . . . . . 312 Val N . 25426 1 495 . 1 1 78 78 GLY H H 1 8.377 0.001 . 1 . . . . . 313 Gly H . 25426 1 496 . 1 1 78 78 GLY CA C 13 44.478 0.000 . 1 . . . . . 313 Gly CA . 25426 1 497 . 1 1 78 78 GLY N N 15 112.428 0.009 . 1 . . . . . 313 Gly N . 25426 1 498 . 1 1 79 79 PRO HA H 1 4.443 0.000 . 1 . . . . . 314 Pro HA . 25426 1 499 . 1 1 79 79 PRO HB2 H 1 1.987 0.000 . 2 . . . . . 314 Pro HB2 . 25426 1 500 . 1 1 79 79 PRO HB3 H 1 2.277 0.000 . 2 . . . . . 314 Pro HB3 . 25426 1 501 . 1 1 79 79 PRO C C 13 177.759 0.000 . 1 . . . . . 314 Pro C . 25426 1 502 . 1 1 79 79 PRO CA C 13 63.502 0.000 . 1 . . . . . 314 Pro CA . 25426 1 503 . 1 1 79 79 PRO CB C 13 32.078 0.000 . 1 . . . . . 314 Pro CB . 25426 1 504 . 1 1 80 80 GLY H H 1 8.590 0.001 . 1 . . . . . 315 Gly H . 25426 1 505 . 1 1 80 80 GLY HA2 H 1 3.985 0.000 . 1 . . . . . 315 Gly HA2 . 25426 1 506 . 1 1 80 80 GLY C C 13 174.309 0.000 . 1 . . . . . 315 Gly C . 25426 1 507 . 1 1 80 80 GLY CA C 13 45.265 0.014 . 1 . . . . . 315 Gly CA . 25426 1 508 . 1 1 80 80 GLY N N 15 109.861 0.005 . 1 . . . . . 315 Gly N . 25426 1 509 . 1 1 81 81 SER H H 1 8.165 0.001 . 1 . . . . . 316 Ser H . 25426 1 510 . 1 1 81 81 SER HA H 1 4.441 0.000 . 1 . . . . . 316 Ser HA . 25426 1 511 . 1 1 81 81 SER HB2 H 1 3.858 0.000 . 1 . . . . . 316 Ser HB2 . 25426 1 512 . 1 1 81 81 SER C C 13 174.405 0.000 . 1 . . . . . 316 Ser C . 25426 1 513 . 1 1 81 81 SER CA C 13 58.497 0.071 . 1 . . . . . 316 Ser CA . 25426 1 514 . 1 1 81 81 SER CB C 13 64.048 0.002 . 1 . . . . . 316 Ser CB . 25426 1 515 . 1 1 81 81 SER N N 15 115.430 0.013 . 1 . . . . . 316 Ser N . 25426 1 516 . 1 1 82 82 ASN H H 1 8.550 0.001 . 1 . . . . . 317 Asn H . 25426 1 517 . 1 1 82 82 ASN HA H 1 4.748 0.000 . 1 . . . . . 317 Asn HA . 25426 1 518 . 1 1 82 82 ASN HB2 H 1 2.772 0.000 . 2 . . . . . 317 Asn HB2 . 25426 1 519 . 1 1 82 82 ASN HB3 H 1 2.847 0.000 . 2 . . . . . 317 Asn HB3 . 25426 1 520 . 1 1 82 82 ASN C C 13 174.895 0.000 . 1 . . . . . 317 Asn C . 25426 1 521 . 1 1 82 82 ASN CA C 13 53.414 0.031 . 1 . . . . . 317 Asn CA . 25426 1 522 . 1 1 82 82 ASN CB C 13 39.012 0.030 . 1 . . . . . 317 Asn CB . 25426 1 523 . 1 1 82 82 ASN N N 15 120.550 0.012 . 1 . . . . . 317 Asn N . 25426 1 524 . 1 1 83 83 ASP H H 1 8.251 0.001 . 1 . . . . . 318 Asp H . 25426 1 525 . 1 1 83 83 ASP HA H 1 4.573 0.000 . 1 . . . . . 318 Asp HA . 25426 1 526 . 1 1 83 83 ASP HB2 H 1 2.623 0.000 . 2 . . . . . 318 Asp HB2 . 25426 1 527 . 1 1 83 83 ASP HB3 H 1 2.737 0.000 . 2 . . . . . 318 Asp HB3 . 25426 1 528 . 1 1 83 83 ASP C C 13 176.707 0.000 . 1 . . . . . 318 Asp C . 25426 1 529 . 1 1 83 83 ASP CA C 13 54.823 0.000 . 1 . . . . . 318 Asp CA . 25426 1 530 . 1 1 83 83 ASP CB C 13 41.045 0.028 . 1 . . . . . 318 Asp CB . 25426 1 531 . 1 1 83 83 ASP N N 15 120.535 0.009 . 1 . . . . . 318 Asp N . 25426 1 532 . 1 1 84 84 GLU H H 1 8.538 0.001 . 1 . . . . . 319 Glu H . 25426 1 533 . 1 1 84 84 GLU HA H 1 4.239 0.000 . 1 . . . . . 319 Glu HA . 25426 1 534 . 1 1 84 84 GLU HB2 H 1 2.000 0.000 . 2 . . . . . 319 Glu HB2 . 25426 1 535 . 1 1 84 84 GLU HB3 H 1 2.108 0.000 . 2 . . . . . 319 Glu HB3 . 25426 1 536 . 1 1 84 84 GLU C C 13 177.397 0.000 . 1 . . . . . 319 Glu C . 25426 1 537 . 1 1 84 84 GLU CA C 13 57.629 0.004 . 1 . . . . . 319 Glu CA . 25426 1 538 . 1 1 84 84 GLU CB C 13 29.866 0.004 . 1 . . . . . 319 Glu CB . 25426 1 539 . 1 1 84 84 GLU N N 15 122.013 0.009 . 1 . . . . . 319 Glu N . 25426 1 540 . 1 1 85 85 THR H H 1 8.265 0.001 . 1 . . . . . 320 Thr H . 25426 1 541 . 1 1 85 85 THR HA H 1 4.217 0.000 . 1 . . . . . 320 Thr HA . 25426 1 542 . 1 1 85 85 THR C C 13 175.221 0.000 . 1 . . . . . 320 Thr C . 25426 1 543 . 1 1 85 85 THR CA C 13 63.298 0.055 . 1 . . . . . 320 Thr CA . 25426 1 544 . 1 1 85 85 THR CB C 13 69.508 0.041 . 1 . . . . . 320 Thr CB . 25426 1 545 . 1 1 85 85 THR N N 15 114.850 0.005 . 1 . . . . . 320 Thr N . 25426 1 546 . 1 1 86 86 LEU H H 1 8.015 0.002 . 1 . . . . . 321 Leu H . 25426 1 547 . 1 1 86 86 LEU HA H 1 4.314 0.000 . 1 . . . . . 321 Leu HA . 25426 1 548 . 1 1 86 86 LEU HB2 H 1 1.624 0.000 . 2 . . . . . 321 Leu HB2 . 25426 1 549 . 1 1 86 86 LEU HB3 H 1 1.698 0.000 . 2 . . . . . 321 Leu HB3 . 25426 1 550 . 1 1 86 86 LEU C C 13 177.747 0.000 . 1 . . . . . 321 Leu C . 25426 1 551 . 1 1 86 86 LEU CA C 13 55.852 0.020 . 1 . . . . . 321 Leu CA . 25426 1 552 . 1 1 86 86 LEU CB C 13 42.105 0.029 . 1 . . . . . 321 Leu CB . 25426 1 553 . 1 1 86 86 LEU N N 15 123.793 0.031 . 1 . . . . . 321 Leu N . 25426 1 554 . 1 1 87 87 LEU H H 1 8.088 0.002 . 1 . . . . . 322 Leu H . 25426 1 555 . 1 1 87 87 LEU HA H 1 4.298 0.000 . 1 . . . . . 322 Leu HA . 25426 1 556 . 1 1 87 87 LEU HB2 H 1 1.590 0.000 . 2 . . . . . 322 Leu HB2 . 25426 1 557 . 1 1 87 87 LEU HB3 H 1 1.687 0.000 . 2 . . . . . 322 Leu HB3 . 25426 1 558 . 1 1 87 87 LEU C C 13 177.947 0.000 . 1 . . . . . 322 Leu C . 25426 1 559 . 1 1 87 87 LEU CA C 13 55.771 0.007 . 1 . . . . . 322 Leu CA . 25426 1 560 . 1 1 87 87 LEU CB C 13 42.107 0.035 . 1 . . . . . 322 Leu CB . 25426 1 561 . 1 1 87 87 LEU N N 15 121.659 0.028 . 1 . . . . . 322 Leu N . 25426 1 562 . 1 1 88 88 SER H H 1 8.102 0.000 . 1 . . . . . 323 Ser H . 25426 1 563 . 1 1 88 88 SER HA H 1 4.380 0.000 . 1 . . . . . 323 Ser HA . 25426 1 564 . 1 1 88 88 SER HB2 H 1 3.895 0.000 . 1 . . . . . 323 Ser HB2 . 25426 1 565 . 1 1 88 88 SER C C 13 174.744 0.000 . 1 . . . . . 323 Ser C . 25426 1 566 . 1 1 88 88 SER CA C 13 58.837 0.003 . 1 . . . . . 323 Ser CA . 25426 1 567 . 1 1 88 88 SER CB C 13 63.694 0.014 . 1 . . . . . 323 Ser CB . 25426 1 568 . 1 1 88 88 SER N N 15 115.538 0.008 . 1 . . . . . 323 Ser N . 25426 1 569 . 1 1 89 89 ALA H H 1 8.173 0.005 . 1 . . . . . 324 Ala H . 25426 1 570 . 1 1 89 89 ALA HA H 1 4.334 0.000 . 1 . . . . . 324 Ala HA . 25426 1 571 . 1 1 89 89 ALA HB1 H 1 1.425 0.000 . 1 . . . . . 324 Ala HB1 . 25426 1 572 . 1 1 89 89 ALA HB2 H 1 1.425 0.000 . 1 . . . . . 324 Ala HB2 . 25426 1 573 . 1 1 89 89 ALA HB3 H 1 1.425 0.000 . 1 . . . . . 324 Ala HB3 . 25426 1 574 . 1 1 89 89 ALA C C 13 178.317 0.000 . 1 . . . . . 324 Ala C . 25426 1 575 . 1 1 89 89 ALA CA C 13 53.132 0.016 . 1 . . . . . 324 Ala CA . 25426 1 576 . 1 1 89 89 ALA CB C 13 19.029 0.001 . 1 . . . . . 324 Ala CB . 25426 1 577 . 1 1 89 89 ALA N N 15 125.718 0.043 . 1 . . . . . 324 Ala N . 25426 1 578 . 1 1 90 90 VAL H H 1 7.945 0.001 . 1 . . . . . 325 Val H . 25426 1 579 . 1 1 90 90 VAL HA H 1 4.021 0.000 . 1 . . . . . 325 Val HA . 25426 1 580 . 1 1 90 90 VAL HB H 1 2.091 0.000 . 1 . . . . . 325 Val HB . 25426 1 581 . 1 1 90 90 VAL C C 13 176.519 0.000 . 1 . . . . . 325 Val C . 25426 1 582 . 1 1 90 90 VAL CA C 13 62.975 0.034 . 1 . . . . . 325 Val CA . 25426 1 583 . 1 1 90 90 VAL CB C 13 32.571 0.097 . 1 . . . . . 325 Val CB . 25426 1 584 . 1 1 90 90 VAL N N 15 118.492 0.027 . 1 . . . . . 325 Val N . 25426 1 585 . 1 1 91 91 ALA H H 1 8.232 0.002 . 1 . . . . . 326 Ala H . 25426 1 586 . 1 1 91 91 ALA HA H 1 4.279 0.000 . 1 . . . . . 326 Ala HA . 25426 1 587 . 1 1 91 91 ALA HB1 H 1 1.420 0.000 . 1 . . . . . 326 Ala HB1 . 25426 1 588 . 1 1 91 91 ALA HB2 H 1 1.420 0.000 . 1 . . . . . 326 Ala HB2 . 25426 1 589 . 1 1 91 91 ALA HB3 H 1 1.420 0.000 . 1 . . . . . 326 Ala HB3 . 25426 1 590 . 1 1 91 91 ALA C C 13 178.316 0.000 . 1 . . . . . 326 Ala C . 25426 1 591 . 1 1 91 91 ALA CA C 13 53.186 0.006 . 1 . . . . . 326 Ala CA . 25426 1 592 . 1 1 91 91 ALA CB C 13 18.940 0.003 . 1 . . . . . 326 Ala CB . 25426 1 593 . 1 1 91 91 ALA N N 15 126.375 0.014 . 1 . . . . . 326 Ala N . 25426 1 594 . 1 1 92 92 SER H H 1 8.175 0.001 . 1 . . . . . 327 Ser H . 25426 1 595 . 1 1 92 92 SER HA H 1 4.357 0.000 . 1 . . . . . 327 Ser HA . 25426 1 596 . 1 1 92 92 SER HB2 H 1 3.883 0.000 . 1 . . . . . 327 Ser HB2 . 25426 1 597 . 1 1 92 92 SER C C 13 174.723 0.000 . 1 . . . . . 327 Ser C . 25426 1 598 . 1 1 92 92 SER CA C 13 58.856 0.028 . 1 . . . . . 327 Ser CA . 25426 1 599 . 1 1 92 92 SER CB C 13 63.747 0.018 . 1 . . . . . 327 Ser CB . 25426 1 600 . 1 1 92 92 SER N N 15 114.429 0.010 . 1 . . . . . 327 Ser N . 25426 1 601 . 1 1 93 93 ALA H H 1 8.150 0.002 . 1 . . . . . 328 Ala H . 25426 1 602 . 1 1 93 93 ALA HA H 1 4.309 0.000 . 1 . . . . . 328 Ala HA . 25426 1 603 . 1 1 93 93 ALA HB1 H 1 1.386 0.000 . 1 . . . . . 328 Ala HB1 . 25426 1 604 . 1 1 93 93 ALA HB2 H 1 1.386 0.000 . 1 . . . . . 328 Ala HB2 . 25426 1 605 . 1 1 93 93 ALA HB3 H 1 1.386 0.000 . 1 . . . . . 328 Ala HB3 . 25426 1 606 . 1 1 93 93 ALA C C 13 177.769 0.000 . 1 . . . . . 328 Ala C . 25426 1 607 . 1 1 93 93 ALA CA C 13 52.773 0.027 . 1 . . . . . 328 Ala CA . 25426 1 608 . 1 1 93 93 ALA CB C 13 19.008 0.003 . 1 . . . . . 328 Ala CB . 25426 1 609 . 1 1 93 93 ALA N N 15 125.410 0.101 . 1 . . . . . 328 Ala N . 25426 1 610 . 1 1 94 94 LEU H H 1 7.990 0.001 . 1 . . . . . 329 Leu H . 25426 1 611 . 1 1 94 94 LEU HA H 1 4.273 0.000 . 1 . . . . . 329 Leu HA . 25426 1 612 . 1 1 94 94 LEU HB2 H 1 1.577 0.000 . 1 . . . . . 329 Leu HB2 . 25426 1 613 . 1 1 94 94 LEU C C 13 177.361 0.000 . 1 . . . . . 329 Leu C . 25426 1 614 . 1 1 94 94 LEU CA C 13 55.465 0.003 . 1 . . . . . 329 Leu CA . 25426 1 615 . 1 1 94 94 LEU CB C 13 42.390 0.037 . 1 . . . . . 329 Leu CB . 25426 1 616 . 1 1 94 94 LEU N N 15 119.990 0.006 . 1 . . . . . 329 Leu N . 25426 1 617 . 1 1 95 95 HIS H H 1 8.237 0.006 . 1 . . . . . 330 His H . 25426 1 618 . 1 1 95 95 HIS HA H 1 4.719 0.000 . 1 . . . . . 330 His HA . 25426 1 619 . 1 1 95 95 HIS HB2 H 1 3.131 0.000 . 2 . . . . . 330 His HB2 . 25426 1 620 . 1 1 95 95 HIS HB3 H 1 3.221 0.000 . 2 . . . . . 330 His HB3 . 25426 1 621 . 1 1 95 95 HIS C C 13 175.296 0.000 . 1 . . . . . 330 His C . 25426 1 622 . 1 1 95 95 HIS CA C 13 55.946 0.000 . 1 . . . . . 330 His CA . 25426 1 623 . 1 1 95 95 HIS CB C 13 30.051 0.001 . 1 . . . . . 330 His CB . 25426 1 624 . 1 1 95 95 HIS N N 15 119.469 0.081 . 1 . . . . . 330 His N . 25426 1 625 . 1 1 96 96 THR H H 1 8.064 0.001 . 1 . . . . . 331 Thr H . 25426 1 626 . 1 1 96 96 THR HA H 1 4.369 0.000 . 1 . . . . . 331 Thr HA . 25426 1 627 . 1 1 96 96 THR HB H 1 4.241 0.000 . 1 . . . . . 331 Thr HB . 25426 1 628 . 1 1 96 96 THR C C 13 174.516 0.000 . 1 . . . . . 331 Thr C . 25426 1 629 . 1 1 96 96 THR CA C 13 61.862 0.000 . 1 . . . . . 331 Thr CA . 25426 1 630 . 1 1 96 96 THR CB C 13 69.888 0.000 . 1 . . . . . 331 Thr CB . 25426 1 631 . 1 1 96 96 THR N N 15 115.082 0.033 . 1 . . . . . 331 Thr N . 25426 1 632 . 1 1 97 97 SER H H 1 8.373 0.002 . 1 . . . . . 332 Ser H . 25426 1 633 . 1 1 97 97 SER HA H 1 4.520 0.000 . 1 . . . . . 332 Ser HA . 25426 1 634 . 1 1 97 97 SER HB2 H 1 3.900 0.000 . 1 . . . . . 332 Ser HB2 . 25426 1 635 . 1 1 97 97 SER C C 13 174.475 0.000 . 1 . . . . . 332 Ser C . 25426 1 636 . 1 1 97 97 SER CA C 13 58.379 0.065 . 1 . . . . . 332 Ser CA . 25426 1 637 . 1 1 97 97 SER CB C 13 63.991 0.003 . 1 . . . . . 332 Ser CB . 25426 1 638 . 1 1 97 97 SER N N 15 117.946 0.011 . 1 . . . . . 332 Ser N . 25426 1 639 . 1 1 98 98 SER H H 1 8.329 0.002 . 1 . . . . . 333 Ser H . 25426 1 640 . 1 1 98 98 SER HA H 1 4.485 0.000 . 1 . . . . . 333 Ser HA . 25426 1 641 . 1 1 98 98 SER HB2 H 1 3.865 0.000 . 1 . . . . . 333 Ser HB2 . 25426 1 642 . 1 1 98 98 SER C C 13 173.680 0.000 . 1 . . . . . 333 Ser C . 25426 1 643 . 1 1 98 98 SER CA C 13 58.171 0.000 . 1 . . . . . 333 Ser CA . 25426 1 644 . 1 1 98 98 SER CB C 13 63.994 0.000 . 1 . . . . . 333 Ser CB . 25426 1 645 . 1 1 98 98 SER N N 15 117.898 0.025 . 1 . . . . . 333 Ser N . 25426 1 646 . 1 1 99 99 ALA H H 1 8.218 0.001 . 1 . . . . . 334 Ala H . 25426 1 647 . 1 1 99 99 ALA CA C 13 50.651 0.000 . 1 . . . . . 334 Ala CA . 25426 1 648 . 1 1 99 99 ALA CB C 13 18.190 0.000 . 1 . . . . . 334 Ala CB . 25426 1 649 . 1 1 99 99 ALA N N 15 127.029 0.015 . 1 . . . . . 334 Ala N . 25426 1 650 . 1 1 100 100 PRO HA H 1 4.443 0.000 . 1 . . . . . 335 Pro HA . 25426 1 651 . 1 1 100 100 PRO HB2 H 1 1.868 0.000 . 2 . . . . . 335 Pro HB2 . 25426 1 652 . 1 1 100 100 PRO HB3 H 1 2.266 0.000 . 2 . . . . . 335 Pro HB3 . 25426 1 653 . 1 1 100 100 PRO C C 13 176.998 0.000 . 1 . . . . . 335 Pro C . 25426 1 654 . 1 1 100 100 PRO CA C 13 63.005 0.000 . 1 . . . . . 335 Pro CA . 25426 1 655 . 1 1 100 100 PRO CB C 13 31.923 0.000 . 1 . . . . . 335 Pro CB . 25426 1 656 . 1 1 101 101 ILE H H 1 8.329 0.001 . 1 . . . . . 336 Ile H . 25426 1 657 . 1 1 101 101 ILE HA H 1 4.207 0.000 . 1 . . . . . 336 Ile HA . 25426 1 658 . 1 1 101 101 ILE HB H 1 1.871 0.000 . 1 . . . . . 336 Ile HB . 25426 1 659 . 1 1 101 101 ILE C C 13 176.686 0.000 . 1 . . . . . 336 Ile C . 25426 1 660 . 1 1 101 101 ILE CA C 13 61.322 0.040 . 1 . . . . . 336 Ile CA . 25426 1 661 . 1 1 101 101 ILE CB C 13 38.621 0.039 . 1 . . . . . 336 Ile CB . 25426 1 662 . 1 1 101 101 ILE N N 15 121.242 0.041 . 1 . . . . . 336 Ile N . 25426 1 663 . 1 1 102 102 THR H H 1 8.166 0.001 . 1 . . . . . 337 Thr H . 25426 1 664 . 1 1 102 102 THR HA H 1 4.356 0.000 . 1 . . . . . 337 Thr HA . 25426 1 665 . 1 1 102 102 THR HB H 1 4.217 0.000 . 1 . . . . . 337 Thr HB . 25426 1 666 . 1 1 102 102 THR C C 13 175.000 0.000 . 1 . . . . . 337 Thr C . 25426 1 667 . 1 1 102 102 THR CA C 13 61.973 0.029 . 1 . . . . . 337 Thr CA . 25426 1 668 . 1 1 102 102 THR CB C 13 69.937 0.029 . 1 . . . . . 337 Thr CB . 25426 1 669 . 1 1 102 102 THR N N 15 117.847 0.010 . 1 . . . . . 337 Thr N . 25426 1 670 . 1 1 103 103 GLY H H 1 8.398 0.001 . 1 . . . . . 338 Gly H . 25426 1 671 . 1 1 103 103 GLY HA2 H 1 3.970 0.000 . 1 . . . . . 338 Gly HA2 . 25426 1 672 . 1 1 103 103 GLY C C 13 173.912 0.000 . 1 . . . . . 338 Gly C . 25426 1 673 . 1 1 103 103 GLY CA C 13 45.284 0.012 . 1 . . . . . 338 Gly CA . 25426 1 674 . 1 1 103 103 GLY N N 15 111.104 0.043 . 1 . . . . . 338 Gly N . 25426 1 675 . 1 1 104 104 GLN H H 1 8.223 0.001 . 1 . . . . . 339 Gln H . 25426 1 676 . 1 1 104 104 GLN HA H 1 4.375 0.000 . 1 . . . . . 339 Gln HA . 25426 1 677 . 1 1 104 104 GLN HB2 H 1 1.962 0.000 . 2 . . . . . 339 Gln HB2 . 25426 1 678 . 1 1 104 104 GLN HB3 H 1 2.070 0.000 . 2 . . . . . 339 Gln HB3 . 25426 1 679 . 1 1 104 104 GLN C C 13 176.093 0.000 . 1 . . . . . 339 Gln C . 25426 1 680 . 1 1 104 104 GLN CA C 13 55.757 0.004 . 1 . . . . . 339 Gln CA . 25426 1 681 . 1 1 104 104 GLN CB C 13 29.591 0.015 . 1 . . . . . 339 Gln CB . 25426 1 682 . 1 1 104 104 GLN N N 15 120.023 0.010 . 1 . . . . . 339 Gln N . 25426 1 683 . 1 1 105 105 VAL H H 1 8.287 0.002 . 1 . . . . . 340 Val H . 25426 1 684 . 1 1 105 105 VAL HA H 1 4.149 0.000 . 1 . . . . . 340 Val HA . 25426 1 685 . 1 1 105 105 VAL HB H 1 2.082 0.000 . 1 . . . . . 340 Val HB . 25426 1 686 . 1 1 105 105 VAL C C 13 176.215 0.000 . 1 . . . . . 340 Val C . 25426 1 687 . 1 1 105 105 VAL CA C 13 62.343 0.005 . 1 . . . . . 340 Val CA . 25426 1 688 . 1 1 105 105 VAL CB C 13 32.803 0.048 . 1 . . . . . 340 Val CB . 25426 1 689 . 1 1 105 105 VAL N N 15 121.879 0.016 . 1 . . . . . 340 Val N . 25426 1 690 . 1 1 106 106 SER H H 1 8.402 0.001 . 1 . . . . . 341 Ser H . 25426 1 691 . 1 1 106 106 SER HA H 1 4.439 0.000 . 1 . . . . . 341 Ser HA . 25426 1 692 . 1 1 106 106 SER HB2 H 1 3.851 0.000 . 1 . . . . . 341 Ser HB2 . 25426 1 693 . 1 1 106 106 SER C C 13 174.184 0.000 . 1 . . . . . 341 Ser C . 25426 1 694 . 1 1 106 106 SER CA C 13 58.231 0.051 . 1 . . . . . 341 Ser CA . 25426 1 695 . 1 1 106 106 SER CB C 13 63.945 0.006 . 1 . . . . . 341 Ser CB . 25426 1 696 . 1 1 106 106 SER N N 15 119.731 0.012 . 1 . . . . . 341 Ser N . 25426 1 697 . 1 1 107 107 ALA H H 1 8.360 0.001 . 1 . . . . . 342 Ala H . 25426 1 698 . 1 1 107 107 ALA HA H 1 4.319 0.000 . 1 . . . . . 342 Ala HA . 25426 1 699 . 1 1 107 107 ALA HB1 H 1 1.379 0.000 . 1 . . . . . 342 Ala HB1 . 25426 1 700 . 1 1 107 107 ALA HB2 H 1 1.379 0.000 . 1 . . . . . 342 Ala HB2 . 25426 1 701 . 1 1 107 107 ALA HB3 H 1 1.379 0.000 . 1 . . . . . 342 Ala HB3 . 25426 1 702 . 1 1 107 107 ALA C C 13 177.318 0.000 . 1 . . . . . 342 Ala C . 25426 1 703 . 1 1 107 107 ALA CA C 13 52.446 0.031 . 1 . . . . . 342 Ala CA . 25426 1 704 . 1 1 107 107 ALA CB C 13 19.270 0.003 . 1 . . . . . 342 Ala CB . 25426 1 705 . 1 1 107 107 ALA N N 15 126.401 0.011 . 1 . . . . . 342 Ala N . 25426 1 706 . 1 1 108 108 ALA H H 1 8.220 0.001 . 1 . . . . . 343 Ala H . 25426 1 707 . 1 1 108 108 ALA HA H 1 4.307 0.000 . 1 . . . . . 343 Ala HA . 25426 1 708 . 1 1 108 108 ALA HB1 H 1 1.361 0.000 . 1 . . . . . 343 Ala HB1 . 25426 1 709 . 1 1 108 108 ALA HB2 H 1 1.361 0.000 . 1 . . . . . 343 Ala HB2 . 25426 1 710 . 1 1 108 108 ALA HB3 H 1 1.361 0.000 . 1 . . . . . 343 Ala HB3 . 25426 1 711 . 1 1 108 108 ALA C C 13 177.747 0.000 . 1 . . . . . 343 Ala C . 25426 1 712 . 1 1 108 108 ALA CA C 13 52.455 0.009 . 1 . . . . . 343 Ala CA . 25426 1 713 . 1 1 108 108 ALA CB C 13 19.087 0.026 . 1 . . . . . 343 Ala CB . 25426 1 714 . 1 1 108 108 ALA N N 15 123.411 0.014 . 1 . . . . . 343 Ala N . 25426 1 715 . 1 1 109 109 VAL H H 1 8.024 0.001 . 1 . . . . . 344 Val H . 25426 1 716 . 1 1 109 109 VAL HA H 1 4.074 0.000 . 1 . . . . . 344 Val HA . 25426 1 717 . 1 1 109 109 VAL HB H 1 2.059 0.000 . 1 . . . . . 344 Val HB . 25426 1 718 . 1 1 109 109 VAL C C 13 176.228 0.000 . 1 . . . . . 344 Val C . 25426 1 719 . 1 1 109 109 VAL CA C 13 62.316 0.010 . 1 . . . . . 344 Val CA . 25426 1 720 . 1 1 109 109 VAL CB C 13 32.773 0.000 . 1 . . . . . 344 Val CB . 25426 1 721 . 1 1 109 109 VAL N N 15 119.319 0.024 . 1 . . . . . 344 Val N . 25426 1 722 . 1 1 110 110 GLU H H 1 8.432 0.001 . 1 . . . . . 345 Glu H . 25426 1 723 . 1 1 110 110 GLU HA H 1 4.247 0.000 . 1 . . . . . 345 Glu HA . 25426 1 724 . 1 1 110 110 GLU HB2 H 1 1.929 0.000 . 2 . . . . . 345 Glu HB2 . 25426 1 725 . 1 1 110 110 GLU HB3 H 1 2.002 0.000 . 2 . . . . . 345 Glu HB3 . 25426 1 726 . 1 1 110 110 GLU C C 13 176.261 0.000 . 1 . . . . . 345 Glu C . 25426 1 727 . 1 1 110 110 GLU CA C 13 56.569 0.020 . 1 . . . . . 345 Glu CA . 25426 1 728 . 1 1 110 110 GLU CB C 13 30.250 0.021 . 1 . . . . . 345 Glu CB . 25426 1 729 . 1 1 110 110 GLU N N 15 124.649 0.009 . 1 . . . . . 345 Glu N . 25426 1 730 . 1 1 111 111 LYS H H 1 8.334 0.002 . 1 . . . . . 346 Lys H . 25426 1 731 . 1 1 111 111 LYS HA H 1 4.266 0.000 . 1 . . . . . 346 Lys HA . 25426 1 732 . 1 1 111 111 LYS HB2 H 1 1.745 0.000 . 1 . . . . . 346 Lys HB2 . 25426 1 733 . 1 1 111 111 LYS C C 13 175.959 0.000 . 1 . . . . . 346 Lys C . 25426 1 734 . 1 1 111 111 LYS CA C 13 56.247 0.034 . 1 . . . . . 346 Lys CA . 25426 1 735 . 1 1 111 111 LYS CB C 13 33.004 0.031 . 1 . . . . . 346 Lys CB . 25426 1 736 . 1 1 111 111 LYS N N 15 122.611 0.029 . 1 . . . . . 346 Lys N . 25426 1 737 . 1 1 112 112 ASN H H 1 8.477 0.001 . 1 . . . . . 347 Asn H . 25426 1 738 . 1 1 112 112 ASN CA C 13 51.152 0.000 . 1 . . . . . 347 Asn CA . 25426 1 739 . 1 1 112 112 ASN CB C 13 38.940 0.000 . 1 . . . . . 347 Asn CB . 25426 1 740 . 1 1 112 112 ASN N N 15 120.764 0.010 . 1 . . . . . 347 Asn N . 25426 1 741 . 1 1 113 113 PRO HA H 1 4.300 0.000 . 1 . . . . . 348 Pro HA . 25426 1 742 . 1 1 113 113 PRO HB2 H 1 2.235 0.000 . 2 . . . . . 348 Pro HB2 . 25426 1 743 . 1 1 113 113 PRO HB3 H 1 1.919 0.000 . 2 . . . . . 348 Pro HB3 . 25426 1 744 . 1 1 113 113 PRO C C 13 176.633 0.000 . 1 . . . . . 348 Pro C . 25426 1 745 . 1 1 113 113 PRO CA C 13 63.426 0.000 . 1 . . . . . 348 Pro CA . 25426 1 746 . 1 1 113 113 PRO CB C 13 32.074 0.000 . 1 . . . . . 348 Pro CB . 25426 1 747 . 1 1 114 114 ALA H H 1 8.192 0.001 . 1 . . . . . 349 Ala H . 25426 1 748 . 1 1 114 114 ALA HA H 1 4.174 0.000 . 1 . . . . . 349 Ala HA . 25426 1 749 . 1 1 114 114 ALA HB1 H 1 1.256 0.000 . 1 . . . . . 349 Ala HB1 . 25426 1 750 . 1 1 114 114 ALA HB2 H 1 1.256 0.000 . 1 . . . . . 349 Ala HB2 . 25426 1 751 . 1 1 114 114 ALA HB3 H 1 1.256 0.000 . 1 . . . . . 349 Ala HB3 . 25426 1 752 . 1 1 114 114 ALA C C 13 177.965 0.000 . 1 . . . . . 349 Ala C . 25426 1 753 . 1 1 114 114 ALA CA C 13 52.690 0.024 . 1 . . . . . 349 Ala CA . 25426 1 754 . 1 1 114 114 ALA CB C 13 18.781 0.012 . 1 . . . . . 349 Ala CB . 25426 1 755 . 1 1 114 114 ALA N N 15 122.936 0.011 . 1 . . . . . 349 Ala N . 25426 1 756 . 1 1 115 115 VAL H H 1 7.792 0.001 . 1 . . . . . 350 Val H . 25426 1 757 . 1 1 115 115 VAL HA H 1 4.028 0.000 . 1 . . . . . 350 Val HA . 25426 1 758 . 1 1 115 115 VAL HB H 1 2.017 0.000 . 1 . . . . . 350 Val HB . 25426 1 759 . 1 1 115 115 VAL C C 13 175.823 0.000 . 1 . . . . . 350 Val C . 25426 1 760 . 1 1 115 115 VAL CA C 13 62.494 0.007 . 1 . . . . . 350 Val CA . 25426 1 761 . 1 1 115 115 VAL CB C 13 32.728 0.018 . 1 . . . . . 350 Val CB . 25426 1 762 . 1 1 115 115 VAL N N 15 117.829 0.004 . 1 . . . . . 350 Val N . 25426 1 763 . 1 1 116 116 TRP H H 1 8.010 0.000 . 1 . . . . . 351 Trp H . 25426 1 764 . 1 1 116 116 TRP HA H 1 4.687 0.000 . 1 . . . . . 351 Trp HA . 25426 1 765 . 1 1 116 116 TRP HB2 H 1 3.196 0.000 . 2 . . . . . 351 Trp HB2 . 25426 1 766 . 1 1 116 116 TRP HB3 H 1 3.275 0.000 . 2 . . . . . 351 Trp HB3 . 25426 1 767 . 1 1 116 116 TRP C C 13 175.792 0.000 . 1 . . . . . 351 Trp C . 25426 1 768 . 1 1 116 116 TRP CA C 13 57.038 0.011 . 1 . . . . . 351 Trp CA . 25426 1 769 . 1 1 116 116 TRP CB C 13 29.464 0.015 . 1 . . . . . 351 Trp CB . 25426 1 770 . 1 1 116 116 TRP N N 15 123.686 0.021 . 1 . . . . . 351 Trp N . 25426 1 771 . 1 1 117 117 LEU H H 1 7.882 0.001 . 1 . . . . . 352 Leu H . 25426 1 772 . 1 1 117 117 LEU HA H 1 4.287 0.000 . 1 . . . . . 352 Leu HA . 25426 1 773 . 1 1 117 117 LEU HB2 H 1 1.487 0.000 . 1 . . . . . 352 Leu HB2 . 25426 1 774 . 1 1 117 117 LEU C C 13 176.548 0.000 . 1 . . . . . 352 Leu C . 25426 1 775 . 1 1 117 117 LEU CA C 13 54.974 0.020 . 1 . . . . . 352 Leu CA . 25426 1 776 . 1 1 117 117 LEU CB C 13 42.621 0.044 . 1 . . . . . 352 Leu CB . 25426 1 777 . 1 1 117 117 LEU N N 15 123.902 0.008 . 1 . . . . . 352 Leu N . 25426 1 778 . 1 1 118 118 ASN H H 1 8.225 0.001 . 1 . . . . . 353 Asn H . 25426 1 779 . 1 1 118 118 ASN HA H 1 4.632 0.000 . 1 . . . . . 353 Asn HA . 25426 1 780 . 1 1 118 118 ASN HB2 H 1 2.679 0.000 . 2 . . . . . 353 Asn HB2 . 25426 1 781 . 1 1 118 118 ASN HB3 H 1 2.832 0.000 . 2 . . . . . 353 Asn HB3 . 25426 1 782 . 1 1 118 118 ASN C C 13 175.417 0.000 . 1 . . . . . 353 Asn C . 25426 1 783 . 1 1 118 118 ASN CA C 13 53.318 0.001 . 1 . . . . . 353 Asn CA . 25426 1 784 . 1 1 118 118 ASN CB C 13 38.700 0.001 . 1 . . . . . 353 Asn CB . 25426 1 785 . 1 1 118 118 ASN N N 15 119.556 0.022 . 1 . . . . . 353 Asn N . 25426 1 786 . 1 1 119 119 THR H H 1 8.042 0.002 . 1 . . . . . 354 Thr H . 25426 1 787 . 1 1 119 119 THR HA H 1 4.377 0.000 . 1 . . . . . 354 Thr HA . 25426 1 788 . 1 1 119 119 THR HB H 1 4.308 0.000 . 1 . . . . . 354 Thr HB . 25426 1 789 . 1 1 119 119 THR C C 13 174.581 0.000 . 1 . . . . . 354 Thr C . 25426 1 790 . 1 1 119 119 THR CA C 13 61.764 0.071 . 1 . . . . . 354 Thr CA . 25426 1 791 . 1 1 119 119 THR CB C 13 69.766 0.035 . 1 . . . . . 354 Thr CB . 25426 1 792 . 1 1 119 119 THR N N 15 113.884 0.016 . 1 . . . . . 354 Thr N . 25426 1 793 . 1 1 120 120 SER H H 1 8.288 0.001 . 1 . . . . . 355 Ser H . 25426 1 794 . 1 1 120 120 SER HA H 1 4.490 0.000 . 1 . . . . . 355 Ser HA . 25426 1 795 . 1 1 120 120 SER HB2 H 1 3.877 0.000 . 1 . . . . . 355 Ser HB2 . 25426 1 796 . 1 1 120 120 SER C C 13 173.507 0.000 . 1 . . . . . 355 Ser C . 25426 1 797 . 1 1 120 120 SER CA C 13 58.541 0.053 . 1 . . . . . 355 Ser CA . 25426 1 798 . 1 1 120 120 SER CB C 13 64.000 0.005 . 1 . . . . . 355 Ser CB . 25426 1 799 . 1 1 120 120 SER N N 15 118.347 0.009 . 1 . . . . . 355 Ser N . 25426 1 800 . 1 1 121 121 GLN H H 1 7.995 0.001 . 1 . . . . . 356 Gln H . 25426 1 801 . 1 1 121 121 GLN CA C 13 57.469 0.000 . 1 . . . . . 356 Gln CA . 25426 1 802 . 1 1 121 121 GLN CB C 13 30.414 0.000 . 1 . . . . . 356 Gln CB . 25426 1 803 . 1 1 121 121 GLN N N 15 126.939 0.014 . 1 . . . . . 356 Gln N . 25426 1 stop_ save_