data_26579 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26579 _Entry.Title ; Resonance assignment of the N-terminal domain of hLCN2-R ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-06-01 _Entry.Accession_date 2015-06-01 _Entry.Last_release_date 2016-10-04 _Entry.Original_release_date 2016-10-04 _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 Nicolas Coudevylle . . . . 26579 2 Szymon Zerko . . . . 26579 3 Wiktor Kozminski . . . . 26579 4 Robert Konrat . . . . 26579 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26579 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 255 26579 '15N chemical shifts' 88 26579 '1H chemical shifts' 342 26579 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 . . 2022-04-01 2015-06-01 update BMRB 'update Polymer_type' 26579 1 . . 2016-10-04 2015-06-01 original author 'original release' 26579 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26579 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 26635366 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Biochemical and Structural Characterization of the Interaction between the Siderocalin NGAL/LCN2 (Neutrophil Gelatinase-associated Lipocalin/Lipocalin 2) and the N-terminal Domain of Its Endocytic Receptor SLC22A17 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 291 _Citation.Journal_issue 6 _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 2917 _Citation.Page_last 2930 _Citation.Year 2016 _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 'Ana Isabel' 'Cabedo Martinez' . . . . 26579 1 2 Katharina Weinhaupl . . . . 26579 1 3 Wing-Kee Lee . . . . 26579 1 4 Natascha Wolff . . . . 26579 1 5 Barbara Storch . . . . 26579 1 6 Szymon Zerko . . . . 26579 1 7 Robert Konrat . . . . 26579 1 8 Wiktor Kozminski . . . . 26579 1 9 Kathrin Breuker . . . . 26579 1 10 Frank Thevenod . . . . 26579 1 11 Nicolas Coudevylle . . . . 26579 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26579 _Assembly.ID 1 _Assembly.Name hLCN2-R-NTD _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 hLCN2-R-NTD 1 $hLCN2-R-NTD A . yes native no no . . . 26579 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 15 15 SG . 1 . 1 CYS 70 70 SG . . . . . . . . . . . . 26579 1 2 disulfide single . 1 . 1 CYS 59 59 SG . 1 . 1 CYS 94 94 SG . . . . . . . . . . . . 26579 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hLCN2-R-NTD _Entity.Sf_category entity _Entity.Sf_framecode hLCN2-R-NTD _Entity.Entry_ID 26579 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hLCN2-R-NTD _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 ; MASDPIFTLAPPLHCHYGAF PPNASGWEQPPNASGVSVAS AALAASAASRVATSTDPSCS GFAPPDFNHCLKDWDYNGLP VLTTNAIGQWDLVCDLGWQV ILEQI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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 1 286 MET . 26579 1 2 287 ALA . 26579 1 3 288 SER . 26579 1 4 289 ASP . 26579 1 5 290 PRO . 26579 1 6 291 ILE . 26579 1 7 292 PHE . 26579 1 8 293 THR . 26579 1 9 294 LEU . 26579 1 10 295 ALA . 26579 1 11 296 PRO . 26579 1 12 297 PRO . 26579 1 13 298 LEU . 26579 1 14 299 HIS . 26579 1 15 300 CYS . 26579 1 16 301 HIS . 26579 1 17 302 TYR . 26579 1 18 303 GLY . 26579 1 19 304 ALA . 26579 1 20 305 PHE . 26579 1 21 306 PRO . 26579 1 22 307 PRO . 26579 1 23 308 ASN . 26579 1 24 309 ALA . 26579 1 25 310 SER . 26579 1 26 311 GLY . 26579 1 27 312 TRP . 26579 1 28 313 GLU . 26579 1 29 314 GLN . 26579 1 30 315 PRO . 26579 1 31 316 PRO . 26579 1 32 317 ASN . 26579 1 33 318 ALA . 26579 1 34 319 SER . 26579 1 35 320 GLY . 26579 1 36 321 VAL . 26579 1 37 322 SER . 26579 1 38 323 VAL . 26579 1 39 324 ALA . 26579 1 40 325 SER . 26579 1 41 326 ALA . 26579 1 42 327 ALA . 26579 1 43 328 LEU . 26579 1 44 329 ALA . 26579 1 45 330 ALA . 26579 1 46 331 SER . 26579 1 47 332 ALA . 26579 1 48 333 ALA . 26579 1 49 334 SER . 26579 1 50 335 ARG . 26579 1 51 336 VAL . 26579 1 52 337 ALA . 26579 1 53 338 THR . 26579 1 54 339 SER . 26579 1 55 340 THR . 26579 1 56 341 ASP . 26579 1 57 342 PRO . 26579 1 58 343 SER . 26579 1 59 344 CYS . 26579 1 60 345 SER . 26579 1 61 346 GLY . 26579 1 62 347 PHE . 26579 1 63 348 ALA . 26579 1 64 349 PRO . 26579 1 65 350 PRO . 26579 1 66 351 ASP . 26579 1 67 352 PHE . 26579 1 68 353 ASN . 26579 1 69 354 HIS . 26579 1 70 355 CYS . 26579 1 71 356 LEU . 26579 1 72 357 LYS . 26579 1 73 358 ASP . 26579 1 74 359 TRP . 26579 1 75 360 ASP . 26579 1 76 361 TYR . 26579 1 77 362 ASN . 26579 1 78 363 GLY . 26579 1 79 364 LEU . 26579 1 80 365 PRO . 26579 1 81 366 VAL . 26579 1 82 367 LEU . 26579 1 83 368 THR . 26579 1 84 369 THR . 26579 1 85 370 ASN . 26579 1 86 371 ALA . 26579 1 87 372 ILE . 26579 1 88 373 GLY . 26579 1 89 374 GLN . 26579 1 90 375 TRP . 26579 1 91 376 ASP . 26579 1 92 377 LEU . 26579 1 93 378 VAL . 26579 1 94 379 CYS . 26579 1 95 380 ASP . 26579 1 96 381 LEU . 26579 1 97 382 GLY . 26579 1 98 383 TRP . 26579 1 99 384 GLN . 26579 1 100 385 VAL . 26579 1 101 386 ILE . 26579 1 102 387 LEU . 26579 1 103 388 GLU . 26579 1 104 389 GLN . 26579 1 105 390 ILE . 26579 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 26579 1 . ALA 2 2 26579 1 . SER 3 3 26579 1 . ASP 4 4 26579 1 . PRO 5 5 26579 1 . ILE 6 6 26579 1 . PHE 7 7 26579 1 . THR 8 8 26579 1 . LEU 9 9 26579 1 . ALA 10 10 26579 1 . PRO 11 11 26579 1 . PRO 12 12 26579 1 . LEU 13 13 26579 1 . HIS 14 14 26579 1 . CYS 15 15 26579 1 . HIS 16 16 26579 1 . TYR 17 17 26579 1 . GLY 18 18 26579 1 . ALA 19 19 26579 1 . PHE 20 20 26579 1 . PRO 21 21 26579 1 . PRO 22 22 26579 1 . ASN 23 23 26579 1 . ALA 24 24 26579 1 . SER 25 25 26579 1 . GLY 26 26 26579 1 . TRP 27 27 26579 1 . GLU 28 28 26579 1 . GLN 29 29 26579 1 . PRO 30 30 26579 1 . PRO 31 31 26579 1 . ASN 32 32 26579 1 . ALA 33 33 26579 1 . SER 34 34 26579 1 . GLY 35 35 26579 1 . VAL 36 36 26579 1 . SER 37 37 26579 1 . VAL 38 38 26579 1 . ALA 39 39 26579 1 . SER 40 40 26579 1 . ALA 41 41 26579 1 . ALA 42 42 26579 1 . LEU 43 43 26579 1 . ALA 44 44 26579 1 . ALA 45 45 26579 1 . SER 46 46 26579 1 . ALA 47 47 26579 1 . ALA 48 48 26579 1 . SER 49 49 26579 1 . ARG 50 50 26579 1 . VAL 51 51 26579 1 . ALA 52 52 26579 1 . THR 53 53 26579 1 . SER 54 54 26579 1 . THR 55 55 26579 1 . ASP 56 56 26579 1 . PRO 57 57 26579 1 . SER 58 58 26579 1 . CYS 59 59 26579 1 . SER 60 60 26579 1 . GLY 61 61 26579 1 . PHE 62 62 26579 1 . ALA 63 63 26579 1 . PRO 64 64 26579 1 . PRO 65 65 26579 1 . ASP 66 66 26579 1 . PHE 67 67 26579 1 . ASN 68 68 26579 1 . HIS 69 69 26579 1 . CYS 70 70 26579 1 . LEU 71 71 26579 1 . LYS 72 72 26579 1 . ASP 73 73 26579 1 . TRP 74 74 26579 1 . ASP 75 75 26579 1 . TYR 76 76 26579 1 . ASN 77 77 26579 1 . GLY 78 78 26579 1 . LEU 79 79 26579 1 . PRO 80 80 26579 1 . VAL 81 81 26579 1 . LEU 82 82 26579 1 . THR 83 83 26579 1 . THR 84 84 26579 1 . ASN 85 85 26579 1 . ALA 86 86 26579 1 . ILE 87 87 26579 1 . GLY 88 88 26579 1 . GLN 89 89 26579 1 . TRP 90 90 26579 1 . ASP 91 91 26579 1 . LEU 92 92 26579 1 . VAL 93 93 26579 1 . CYS 94 94 26579 1 . ASP 95 95 26579 1 . LEU 96 96 26579 1 . GLY 97 97 26579 1 . TRP 98 98 26579 1 . GLN 99 99 26579 1 . VAL 100 100 26579 1 . ILE 101 101 26579 1 . LEU 102 102 26579 1 . GLU 103 103 26579 1 . GLN 104 104 26579 1 . ILE 105 105 26579 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 26579 _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 $hLCN2-R-NTD . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 26579 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 26579 _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 $hLCN2-R-NTD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pETM11 . . . 26579 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26579 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 hLCN2-R-NTD '[U-95% 13C; U-95% 15N]' . . 1 $hLCN2-R-NTD . . 0.5 . . mM . . . . 26579 1 2 H20 'natural abundance' . . . . . . 95 . . % . . . . 26579 1 3 D20 'natural abundance' . . . . . . 5 . . % . . . . 26579 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 26579 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 70 . mM 26579 1 pH 7.4 . pH 26579 1 pressure 1 . atm 26579 1 temperature 298 . K 26579 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26579 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26579 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 26579 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 26579 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 26579 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 700 . . . 26579 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 26579 _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 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26579 1 2 '5D HN(CA)CONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26579 1 3 '5D (HACA)CON(CA)CONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26579 1 4 '5D (H)NCO(NCA)CONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26579 1 5 '4D HNCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26579 1 6 '5D HabCabCONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26579 1 7 '5D H(CC-tocsy)CONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 26579 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 26579 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . 26579 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 26579 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 26579 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 26579 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 26579 1 2 '5D HN(CA)CONH' . . . 26579 1 3 '5D (HACA)CON(CA)CONH' . . . 26579 1 4 '5D (H)NCO(NCA)CONH' . . . 26579 1 5 '4D HNCACO' . . . 26579 1 6 '5D HabCabCONH' . . . 26579 1 7 '5D H(CC-tocsy)CONH' . . . 26579 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 1 1 MET HA H 1 4.47 0.02 . 1 . . . . . 286 MET HA . 26579 1 2 . 1 . 1 1 1 MET HB2 H 1 2.06 0.02 . 2 . . . . . 286 MET HB2 . 26579 1 3 . 1 . 1 1 1 MET HB3 H 1 2.0 0.02 . 2 . . . . . 286 MET HB3 . 26579 1 4 . 1 . 1 1 1 MET C C 13 176.08 0.3 . 1 . . . . . 286 MET CO . 26579 1 5 . 1 . 1 1 1 MET CA C 13 55.25 0.3 . 1 . . . . . 286 MET CA . 26579 1 6 . 1 . 1 1 1 MET CB C 13 33.29 0.3 . 1 . . . . . 286 MET CB . 26579 1 7 . 1 . 1 2 2 ALA H H 1 8.39 0.02 . 1 . . . . . 287 ALA HN . 26579 1 8 . 1 . 1 2 2 ALA HA H 1 4.3 0.02 . 1 . . . . . 287 ALA HA . 26579 1 9 . 1 . 1 2 2 ALA HB1 H 1 1.39 0.02 . 1 . . . . . 287 ALA HB . 26579 1 10 . 1 . 1 2 2 ALA HB2 H 1 1.39 0.02 . 1 . . . . . 287 ALA HB . 26579 1 11 . 1 . 1 2 2 ALA HB3 H 1 1.39 0.02 . 1 . . . . . 287 ALA HB . 26579 1 12 . 1 . 1 2 2 ALA C C 13 177.49 0.3 . 1 . . . . . 287 ALA CO . 26579 1 13 . 1 . 1 2 2 ALA CA C 13 52.71 0.3 . 1 . . . . . 287 ALA CA . 26579 1 14 . 1 . 1 2 2 ALA CB C 13 19.42 0.3 . 1 . . . . . 287 ALA CB . 26579 1 15 . 1 . 1 2 2 ALA N N 15 125.61 0.3 . 1 . . . . . 287 ALA N . 26579 1 16 . 1 . 1 3 3 SER H H 1 8.17 0.02 . 1 . . . . . 288 SER HN . 26579 1 17 . 1 . 1 3 3 SER HA H 1 4.42 0.02 . 1 . . . . . 288 SER HA . 26579 1 18 . 1 . 1 3 3 SER HB2 H 1 3.83 0.02 . 2 . . . . . 288 SER HB2 . 26579 1 19 . 1 . 1 3 3 SER HB3 H 1 3.83 0.02 . 2 . . . . . 288 SER HB3 . 26579 1 20 . 1 . 1 3 3 SER C C 13 173.92 0.3 . 1 . . . . . 288 SER CO . 26579 1 21 . 1 . 1 3 3 SER CA C 13 57.91 0.3 . 1 . . . . . 288 SER CA . 26579 1 22 . 1 . 1 3 3 SER CB C 13 63.89 0.3 . 1 . . . . . 288 SER CB . 26579 1 23 . 1 . 1 3 3 SER N N 15 114.34 0.3 . 1 . . . . . 288 SER N . 26579 1 24 . 1 . 1 4 4 ASP H H 1 8.21 0.02 . 1 . . . . . 289 ASP HN . 26579 1 25 . 1 . 1 4 4 ASP N N 15 123.89 0.3 . 1 . . . . . 289 ASP N . 26579 1 26 . 1 . 1 5 5 PRO HA H 1 4.38 0.02 . 1 . . . . . 290 PRO HA . 26579 1 27 . 1 . 1 5 5 PRO HB2 H 1 2.2 0.02 . 2 . . . . . 290 PRO HB2 . 26579 1 28 . 1 . 1 5 5 PRO HB3 H 1 1.78 0.02 . 2 . . . . . 290 PRO HB3 . 26579 1 29 . 1 . 1 5 5 PRO C C 13 176.8 0.3 . 1 . . . . . 290 PRO CO . 26579 1 30 . 1 . 1 5 5 PRO CA C 13 63.26 0.3 . 1 . . . . . 290 PRO CA . 26579 1 31 . 1 . 1 5 5 PRO CB C 13 32.19 0.3 . 1 . . . . . 290 PRO CB . 26579 1 32 . 1 . 1 6 6 ILE H H 1 8.16 0.02 . 1 . . . . . 291 ILE HN . 26579 1 33 . 1 . 1 6 6 ILE HA H 1 4.04 0.02 . 1 . . . . . 291 ILE HA . 26579 1 34 . 1 . 1 6 6 ILE HB H 1 1.75 0.02 . 1 . . . . . 291 ILE HB . 26579 1 35 . 1 . 1 6 6 ILE C C 13 176.21 0.3 . 1 . . . . . 291 ILE CO . 26579 1 36 . 1 . 1 6 6 ILE CA C 13 61.36 0.3 . 1 . . . . . 291 ILE CA . 26579 1 37 . 1 . 1 6 6 ILE CB C 13 38.58 0.3 . 1 . . . . . 291 ILE CB . 26579 1 38 . 1 . 1 6 6 ILE N N 15 119.92 0.3 . 1 . . . . . 291 ILE N . 26579 1 39 . 1 . 1 7 7 PHE H H 1 8.14 0.02 . 1 . . . . . 292 PHE HN . 26579 1 40 . 1 . 1 7 7 PHE HA H 1 4.69 0.02 . 1 . . . . . 292 PHE HA . 26579 1 41 . 1 . 1 7 7 PHE HB2 H 1 3.15 0.02 . 2 . . . . . 292 PHE HB2 . 26579 1 42 . 1 . 1 7 7 PHE HB3 H 1 2.99 0.02 . 2 . . . . . 292 PHE HB3 . 26579 1 43 . 1 . 1 7 7 PHE C C 13 175.71 0.3 . 1 . . . . . 292 PHE CO . 26579 1 44 . 1 . 1 7 7 PHE CA C 13 57.67 0.3 . 1 . . . . . 292 PHE CA . 26579 1 45 . 1 . 1 7 7 PHE CB C 13 39.77 0.3 . 1 . . . . . 292 PHE CB . 26579 1 46 . 1 . 1 7 7 PHE N N 15 123.19 0.3 . 1 . . . . . 292 PHE N . 26579 1 47 . 1 . 1 8 8 THR H H 1 7.98 0.02 . 1 . . . . . 293 THR HN . 26579 1 48 . 1 . 1 8 8 THR HA H 1 4.26 0.02 . 1 . . . . . 293 THR HA . 26579 1 49 . 1 . 1 8 8 THR HB H 1 4.12 0.02 . 1 . . . . . 293 THR HB . 26579 1 50 . 1 . 1 8 8 THR C C 13 173.81 0.3 . 1 . . . . . 293 THR CO . 26579 1 51 . 1 . 1 8 8 THR CA C 13 61.73 0.3 . 1 . . . . . 293 THR CA . 26579 1 52 . 1 . 1 8 8 THR CB C 13 69.75 0.3 . 1 . . . . . 293 THR CB . 26579 1 53 . 1 . 1 8 8 THR N N 15 116.18 0.3 . 1 . . . . . 293 THR N . 26579 1 54 . 1 . 1 9 9 LEU H H 1 8.09 0.02 . 1 . . . . . 294 LEU HN . 26579 1 55 . 1 . 1 9 9 LEU HA H 1 4.31 0.02 . 1 . . . . . 294 LEU HA . 26579 1 56 . 1 . 1 9 9 LEU HB2 H 1 1.58 0.02 . 2 . . . . . 294 LEU HB2 . 26579 1 57 . 1 . 1 9 9 LEU HB3 H 1 1.58 0.02 . 2 . . . . . 294 LEU HB3 . 26579 1 58 . 1 . 1 9 9 LEU C C 13 176.42 0.3 . 1 . . . . . 294 LEU CO . 26579 1 59 . 1 . 1 9 9 LEU CA C 13 54.85 0.3 . 1 . . . . . 294 LEU CA . 26579 1 60 . 1 . 1 9 9 LEU CB C 13 42.57 0.3 . 1 . . . . . 294 LEU CB . 26579 1 61 . 1 . 1 9 9 LEU N N 15 124.67 0.3 . 1 . . . . . 294 LEU N . 26579 1 62 . 1 . 1 10 10 ALA H H 1 8.17 0.02 . 1 . . . . . 295 ALA HN . 26579 1 63 . 1 . 1 10 10 ALA N N 15 126.34 0.3 . 1 . . . . . 295 ALA N . 26579 1 64 . 1 . 1 16 16 HIS HA H 1 4.58 0.02 . 1 . . . . . 301 HIS HA . 26579 1 65 . 1 . 1 16 16 HIS HB2 H 1 3.02 0.02 . 2 . . . . . 301 HIS HB2 . 26579 1 66 . 1 . 1 16 16 HIS HB3 H 1 3.02 0.02 . 2 . . . . . 301 HIS HB3 . 26579 1 67 . 1 . 1 16 16 HIS C C 13 174.68 0.3 . 1 . . . . . 301 HIS CO . 26579 1 68 . 1 . 1 16 16 HIS CA C 13 56.05 0.3 . 1 . . . . . 301 HIS CA . 26579 1 69 . 1 . 1 16 16 HIS CB C 13 30.28 0.3 . 1 . . . . . 301 HIS CB . 26579 1 70 . 1 . 1 17 17 TYR H H 1 8.12 0.02 . 1 . . . . . 302 TYR HN . 26579 1 71 . 1 . 1 17 17 TYR HA H 1 4.49 0.02 . 1 . . . . . 302 TYR HA . 26579 1 72 . 1 . 1 17 17 TYR HB2 H 1 3.02 0.02 . 2 . . . . . 302 TYR HB2 . 26579 1 73 . 1 . 1 17 17 TYR HB3 H 1 2.87 0.02 . 2 . . . . . 302 TYR HB3 . 26579 1 74 . 1 . 1 17 17 TYR C C 13 176.15 0.3 . 1 . . . . . 302 TYR CO . 26579 1 75 . 1 . 1 17 17 TYR CA C 13 58.09 0.3 . 1 . . . . . 302 TYR CA . 26579 1 76 . 1 . 1 17 17 TYR CB C 13 38.77 0.3 . 1 . . . . . 302 TYR CB . 26579 1 77 . 1 . 1 17 17 TYR N N 15 121.12 0.3 . 1 . . . . . 302 TYR N . 26579 1 78 . 1 . 1 18 18 GLY H H 1 8.17 0.02 . 1 . . . . . 303 GLY HN . 26579 1 79 . 1 . 1 18 18 GLY HA2 H 1 3.85 0.02 . 2 . . . . . 303 GLY HA2 . 26579 1 80 . 1 . 1 18 18 GLY HA3 H 1 3.77 0.02 . 2 . . . . . 303 GLY HA3 . 26579 1 81 . 1 . 1 18 18 GLY C C 13 173.31 0.3 . 1 . . . . . 303 GLY CO . 26579 1 82 . 1 . 1 18 18 GLY CA C 13 45.18 0.3 . 1 . . . . . 303 GLY CA . 26579 1 83 . 1 . 1 18 18 GLY N N 15 110.53 0.3 . 1 . . . . . 303 GLY N . 26579 1 84 . 1 . 1 19 19 ALA H H 1 7.96 0.02 . 1 . . . . . 304 ALA HN . 26579 1 85 . 1 . 1 19 19 ALA HA H 1 4.22 0.02 . 1 . . . . . 304 ALA HA . 26579 1 86 . 1 . 1 19 19 ALA HB1 H 1 1.2 0.02 . 1 . . . . . 304 ALA HB . 26579 1 87 . 1 . 1 19 19 ALA HB2 H 1 1.2 0.02 . 1 . . . . . 304 ALA HB . 26579 1 88 . 1 . 1 19 19 ALA HB3 H 1 1.2 0.02 . 1 . . . . . 304 ALA HB . 26579 1 89 . 1 . 1 19 19 ALA C C 13 176.9 0.3 . 1 . . . . . 304 ALA CO . 26579 1 90 . 1 . 1 19 19 ALA CA C 13 52.23 0.3 . 1 . . . . . 304 ALA CA . 26579 1 91 . 1 . 1 19 19 ALA CB C 13 19.49 0.3 . 1 . . . . . 304 ALA CB . 26579 1 92 . 1 . 1 19 19 ALA N N 15 123.36 0.3 . 1 . . . . . 304 ALA N . 26579 1 93 . 1 . 1 20 20 PHE H H 1 8.07 0.02 . 1 . . . . . 305 PHE HN . 26579 1 94 . 1 . 1 20 20 PHE N N 15 119.59 0.3 . 1 . . . . . 305 PHE N . 26579 1 95 . 1 . 1 22 22 PRO HA H 1 4.37 0.02 . 1 . . . . . 307 PRO HA . 26579 1 96 . 1 . 1 22 22 PRO HB2 H 1 2.23 0.02 . 2 . . . . . 307 PRO HB2 . 26579 1 97 . 1 . 1 22 22 PRO HB3 H 1 1.87 0.02 . 2 . . . . . 307 PRO HB3 . 26579 1 98 . 1 . 1 22 22 PRO C C 13 176.74 0.3 . 1 . . . . . 307 PRO CO . 26579 1 99 . 1 . 1 22 22 PRO CA C 13 63.05 0.3 . 1 . . . . . 307 PRO CA . 26579 1 100 . 1 . 1 22 22 PRO CB C 13 32.07 0.3 . 1 . . . . . 307 PRO CB . 26579 1 101 . 1 . 1 23 23 ASN H H 1 8.4 0.02 . 1 . . . . . 308 ASN HN . 26579 1 102 . 1 . 1 23 23 ASN HA H 1 4.63 0.02 . 1 . . . . . 308 ASN HA . 26579 1 103 . 1 . 1 23 23 ASN HB2 H 1 2.8 0.02 . 2 . . . . . 308 ASN HB2 . 26579 1 104 . 1 . 1 23 23 ASN HB3 H 1 2.8 0.02 . 2 . . . . . 308 ASN HB3 . 26579 1 105 . 1 . 1 23 23 ASN C C 13 175.21 0.3 . 1 . . . . . 308 ASN CO . 26579 1 106 . 1 . 1 23 23 ASN CA C 13 53.11 0.3 . 1 . . . . . 308 ASN CA . 26579 1 107 . 1 . 1 23 23 ASN CB C 13 38.86 0.3 . 1 . . . . . 308 ASN CB . 26579 1 108 . 1 . 1 23 23 ASN N N 15 117.97 0.3 . 1 . . . . . 308 ASN N . 26579 1 109 . 1 . 1 24 24 ALA H H 1 8.28 0.02 . 1 . . . . . 309 ALA HN . 26579 1 110 . 1 . 1 24 24 ALA HA H 1 4.31 0.02 . 1 . . . . . 309 ALA HA . 26579 1 111 . 1 . 1 24 24 ALA HB1 H 1 1.38 0.02 . 1 . . . . . 309 ALA HB . 26579 1 112 . 1 . 1 24 24 ALA HB2 H 1 1.38 0.02 . 1 . . . . . 309 ALA HB . 26579 1 113 . 1 . 1 24 24 ALA HB3 H 1 1.38 0.02 . 1 . . . . . 309 ALA HB . 26579 1 114 . 1 . 1 24 24 ALA C C 13 177.8 0.3 . 1 . . . . . 309 ALA CO . 26579 1 115 . 1 . 1 24 24 ALA CA C 13 52.8 0.3 . 1 . . . . . 309 ALA CA . 26579 1 116 . 1 . 1 24 24 ALA CB C 13 19.42 0.3 . 1 . . . . . 309 ALA CB . 26579 1 117 . 1 . 1 24 24 ALA N N 15 124.59 0.3 . 1 . . . . . 309 ALA N . 26579 1 118 . 1 . 1 25 25 SER H H 1 8.29 0.02 . 1 . . . . . 310 SER HN . 26579 1 119 . 1 . 1 25 25 SER HA H 1 4.35 0.02 . 1 . . . . . 310 SER HA . 26579 1 120 . 1 . 1 25 25 SER HB2 H 1 3.78 0.02 . 2 . . . . . 310 SER HB2 . 26579 1 121 . 1 . 1 25 25 SER HB3 H 1 3.78 0.02 . 2 . . . . . 310 SER HB3 . 26579 1 122 . 1 . 1 25 25 SER C C 13 175.0 0.3 . 1 . . . . . 310 SER CO . 26579 1 123 . 1 . 1 25 25 SER CA C 13 58.72 0.3 . 1 . . . . . 310 SER CA . 26579 1 124 . 1 . 1 25 25 SER CB C 13 63.67 0.3 . 1 . . . . . 310 SER CB . 26579 1 125 . 1 . 1 25 25 SER N N 15 114.59 0.3 . 1 . . . . . 310 SER N . 26579 1 126 . 1 . 1 26 26 GLY H H 1 8.24 0.02 . 1 . . . . . 311 GLY HN . 26579 1 127 . 1 . 1 26 26 GLY HA2 H 1 3.92 0.02 . 2 . . . . . 311 GLY HA2 . 26579 1 128 . 1 . 1 26 26 GLY HA3 H 1 3.81 0.02 . 2 . . . . . 311 GLY HA3 . 26579 1 129 . 1 . 1 26 26 GLY C C 13 173.79 0.3 . 1 . . . . . 311 GLY CO . 26579 1 130 . 1 . 1 26 26 GLY CA C 13 45.41 0.3 . 1 . . . . . 311 GLY CA . 26579 1 131 . 1 . 1 26 26 GLY N N 15 110.38 0.3 . 1 . . . . . 311 GLY N . 26579 1 132 . 1 . 1 27 27 TRP H H 1 7.89 0.02 . 1 . . . . . 312 TRP HN . 26579 1 133 . 1 . 1 27 27 TRP HA H 1 4.63 0.02 . 1 . . . . . 312 TRP HA . 26579 1 134 . 1 . 1 27 27 TRP HB2 H 1 3.22 0.02 . 2 . . . . . 312 TRP HB2 . 26579 1 135 . 1 . 1 27 27 TRP HB3 H 1 3.17 0.02 . 2 . . . . . 312 TRP HB3 . 26579 1 136 . 1 . 1 27 27 TRP C C 13 175.97 0.3 . 1 . . . . . 312 TRP CO . 26579 1 137 . 1 . 1 27 27 TRP CA C 13 57.14 0.3 . 1 . . . . . 312 TRP CA . 26579 1 138 . 1 . 1 27 27 TRP CB C 13 29.84 0.3 . 1 . . . . . 312 TRP CB . 26579 1 139 . 1 . 1 27 27 TRP N N 15 120.52 0.3 . 1 . . . . . 312 TRP N . 26579 1 140 . 1 . 1 28 28 GLU H H 1 8.18 0.02 . 1 . . . . . 313 GLU HN . 26579 1 141 . 1 . 1 28 28 GLU HA H 1 4.15 0.02 . 1 . . . . . 313 GLU HA . 26579 1 142 . 1 . 1 28 28 GLU HB2 H 1 1.87 0.02 . 2 . . . . . 313 GLU HB2 . 26579 1 143 . 1 . 1 28 28 GLU HB3 H 1 1.75 0.02 . 2 . . . . . 313 GLU HB3 . 26579 1 144 . 1 . 1 28 28 GLU C C 13 175.58 0.3 . 1 . . . . . 313 GLU CO . 26579 1 145 . 1 . 1 28 28 GLU CA C 13 56.27 0.3 . 1 . . . . . 313 GLU CA . 26579 1 146 . 1 . 1 28 28 GLU CB C 13 30.59 0.3 . 1 . . . . . 313 GLU CB . 26579 1 147 . 1 . 1 28 28 GLU N N 15 122.86 0.3 . 1 . . . . . 313 GLU N . 26579 1 148 . 1 . 1 29 29 GLN H H 1 8.18 0.02 . 1 . . . . . 314 GLN HN . 26579 1 149 . 1 . 1 29 29 GLN N N 15 122.28 0.3 . 1 . . . . . 314 GLN N . 26579 1 150 . 1 . 1 31 31 PRO HA H 1 4.33 0.02 . 1 . . . . . 316 PRO HA . 26579 1 151 . 1 . 1 31 31 PRO HB2 H 1 2.19 0.02 . 2 . . . . . 316 PRO HB2 . 26579 1 152 . 1 . 1 31 31 PRO HB3 H 1 1.85 0.02 . 2 . . . . . 316 PRO HB3 . 26579 1 153 . 1 . 1 31 31 PRO C C 13 176.75 0.3 . 1 . . . . . 316 PRO CO . 26579 1 154 . 1 . 1 31 31 PRO CA C 13 63.17 0.3 . 1 . . . . . 316 PRO CA . 26579 1 155 . 1 . 1 31 31 PRO CB C 13 31.96 0.3 . 1 . . . . . 316 PRO CB . 26579 1 156 . 1 . 1 32 32 ASN H H 1 8.31 0.02 . 1 . . . . . 317 ASN HN . 26579 1 157 . 1 . 1 32 32 ASN HA H 1 4.6 0.02 . 1 . . . . . 317 ASN HA . 26579 1 158 . 1 . 1 32 32 ASN HB2 H 1 2.79 0.02 . 2 . . . . . 317 ASN HB2 . 26579 1 159 . 1 . 1 32 32 ASN HB3 H 1 2.79 0.02 . 2 . . . . . 317 ASN HB3 . 26579 1 160 . 1 . 1 32 32 ASN C C 13 175.06 0.3 . 1 . . . . . 317 ASN CO . 26579 1 161 . 1 . 1 32 32 ASN CA C 13 53.12 0.3 . 1 . . . . . 317 ASN CA . 26579 1 162 . 1 . 1 32 32 ASN CB C 13 38.78 0.3 . 1 . . . . . 317 ASN CB . 26579 1 163 . 1 . 1 32 32 ASN N N 15 117.32 0.3 . 1 . . . . . 317 ASN N . 26579 1 164 . 1 . 1 33 33 ALA H H 1 8.21 0.02 . 1 . . . . . 318 ALA HN . 26579 1 165 . 1 . 1 33 33 ALA HA H 1 4.27 0.02 . 1 . . . . . 318 ALA HA . 26579 1 166 . 1 . 1 33 33 ALA HB1 H 1 1.36 0.02 . 1 . . . . . 318 ALA HB . 26579 1 167 . 1 . 1 33 33 ALA HB2 H 1 1.36 0.02 . 1 . . . . . 318 ALA HB . 26579 1 168 . 1 . 1 33 33 ALA HB3 H 1 1.36 0.02 . 1 . . . . . 318 ALA HB . 26579 1 169 . 1 . 1 33 33 ALA C C 13 177.72 0.3 . 1 . . . . . 318 ALA CO . 26579 1 170 . 1 . 1 33 33 ALA CA C 13 52.76 0.3 . 1 . . . . . 318 ALA CA . 26579 1 171 . 1 . 1 33 33 ALA CB C 13 19.43 0.3 . 1 . . . . . 318 ALA CB . 26579 1 172 . 1 . 1 33 33 ALA N N 15 124.22 0.3 . 1 . . . . . 318 ALA N . 26579 1 173 . 1 . 1 34 34 SER H H 1 8.28 0.02 . 1 . . . . . 319 SER HN . 26579 1 174 . 1 . 1 34 34 SER HA H 1 4.42 0.02 . 1 . . . . . 319 SER HA . 26579 1 175 . 1 . 1 34 34 SER HB2 H 1 3.88 0.02 . 2 . . . . . 319 SER HB2 . 26579 1 176 . 1 . 1 34 34 SER HB3 H 1 3.88 0.02 . 2 . . . . . 319 SER HB3 . 26579 1 177 . 1 . 1 34 34 SER C C 13 175.12 0.3 . 1 . . . . . 319 SER CO . 26579 1 178 . 1 . 1 34 34 SER CA C 13 58.67 0.3 . 1 . . . . . 319 SER CA . 26579 1 179 . 1 . 1 34 34 SER CB C 13 63.78 0.3 . 1 . . . . . 319 SER CB . 26579 1 180 . 1 . 1 34 34 SER N N 15 114.56 0.3 . 1 . . . . . 319 SER N . 26579 1 181 . 1 . 1 35 35 GLY H H 1 8.32 0.02 . 1 . . . . . 320 GLY HN . 26579 1 182 . 1 . 1 35 35 GLY HA2 H 1 3.97 0.02 . 2 . . . . . 320 GLY HA2 . 26579 1 183 . 1 . 1 35 35 GLY HA3 H 1 3.97 0.02 . 2 . . . . . 320 GLY HA3 . 26579 1 184 . 1 . 1 35 35 GLY C C 13 174.11 0.3 . 1 . . . . . 320 GLY CO . 26579 1 185 . 1 . 1 35 35 GLY CA C 13 45.45 0.3 . 1 . . . . . 320 GLY CA . 26579 1 186 . 1 . 1 35 35 GLY N N 15 110.58 0.3 . 1 . . . . . 320 GLY N . 26579 1 187 . 1 . 1 36 36 VAL H H 1 7.91 0.02 . 1 . . . . . 321 VAL HN . 26579 1 188 . 1 . 1 36 36 VAL HA H 1 4.15 0.02 . 1 . . . . . 321 VAL HA . 26579 1 189 . 1 . 1 36 36 VAL HB H 1 2.06 0.02 . 1 . . . . . 321 VAL HB . 26579 1 190 . 1 . 1 36 36 VAL C C 13 176.25 0.3 . 1 . . . . . 321 VAL CO . 26579 1 191 . 1 . 1 36 36 VAL CA C 13 62.21 0.3 . 1 . . . . . 321 VAL CA . 26579 1 192 . 1 . 1 36 36 VAL CB C 13 32.92 0.3 . 1 . . . . . 321 VAL CB . 26579 1 193 . 1 . 1 36 36 VAL N N 15 119.07 0.3 . 1 . . . . . 321 VAL N . 26579 1 194 . 1 . 1 37 37 SER H H 1 8.42 0.02 . 1 . . . . . 322 SER HN . 26579 1 195 . 1 . 1 37 37 SER HA H 1 4.5 0.02 . 1 . . . . . 322 SER HA . 26579 1 196 . 1 . 1 37 37 SER HB2 H 1 3.86 0.02 . 2 . . . . . 322 SER HB2 . 26579 1 197 . 1 . 1 37 37 SER HB3 H 1 3.86 0.02 . 2 . . . . . 322 SER HB3 . 26579 1 198 . 1 . 1 37 37 SER C C 13 174.7 0.3 . 1 . . . . . 322 SER CO . 26579 1 199 . 1 . 1 37 37 SER CA C 13 58.15 0.3 . 1 . . . . . 322 SER CA . 26579 1 200 . 1 . 1 37 37 SER CB C 13 63.84 0.3 . 1 . . . . . 322 SER CB . 26579 1 201 . 1 . 1 37 37 SER N N 15 119.83 0.3 . 1 . . . . . 322 SER N . 26579 1 202 . 1 . 1 38 38 VAL H H 1 8.19 0.02 . 1 . . . . . 323 VAL HN . 26579 1 203 . 1 . 1 38 38 VAL HA H 1 4.08 0.02 . 1 . . . . . 323 VAL HA . 26579 1 204 . 1 . 1 38 38 VAL HB H 1 2.08 0.02 . 1 . . . . . 323 VAL HB . 26579 1 205 . 1 . 1 38 38 VAL C C 13 176.35 0.3 . 1 . . . . . 323 VAL CO . 26579 1 206 . 1 . 1 38 38 VAL CA C 13 62.61 0.3 . 1 . . . . . 323 VAL CA . 26579 1 207 . 1 . 1 38 38 VAL CB C 13 32.78 0.3 . 1 . . . . . 323 VAL CB . 26579 1 208 . 1 . 1 38 38 VAL N N 15 122.09 0.3 . 1 . . . . . 323 VAL N . 26579 1 209 . 1 . 1 39 39 ALA H H 1 8.33 0.02 . 1 . . . . . 324 ALA HN . 26579 1 210 . 1 . 1 39 39 ALA HA H 1 4.29 0.02 . 1 . . . . . 324 ALA HA . 26579 1 211 . 1 . 1 39 39 ALA HB1 H 1 1.39 0.02 . 1 . . . . . 324 ALA HB . 26579 1 212 . 1 . 1 39 39 ALA HB2 H 1 1.39 0.02 . 1 . . . . . 324 ALA HB . 26579 1 213 . 1 . 1 39 39 ALA HB3 H 1 1.39 0.02 . 1 . . . . . 324 ALA HB . 26579 1 214 . 1 . 1 39 39 ALA C C 13 178.29 0.3 . 1 . . . . . 324 ALA CO . 26579 1 215 . 1 . 1 39 39 ALA CA C 13 53.0 0.3 . 1 . . . . . 324 ALA CA . 26579 1 216 . 1 . 1 39 39 ALA CB C 13 19.2 0.3 . 1 . . . . . 324 ALA CB . 26579 1 217 . 1 . 1 39 39 ALA N N 15 126.68 0.3 . 1 . . . . . 324 ALA N . 26579 1 218 . 1 . 1 40 40 SER H H 1 8.18 0.02 . 1 . . . . . 325 SER HN . 26579 1 219 . 1 . 1 40 40 SER HA H 1 4.33 0.02 . 1 . . . . . 325 SER HA . 26579 1 220 . 1 . 1 40 40 SER HB2 H 1 3.89 0.02 . 2 . . . . . 325 SER HB2 . 26579 1 221 . 1 . 1 40 40 SER HB3 H 1 3.89 0.02 . 2 . . . . . 325 SER HB3 . 26579 1 222 . 1 . 1 40 40 SER C C 13 175.16 0.3 . 1 . . . . . 325 SER CO . 26579 1 223 . 1 . 1 40 40 SER CA C 13 58.97 0.3 . 1 . . . . . 325 SER CA . 26579 1 224 . 1 . 1 40 40 SER CB C 13 63.51 0.3 . 1 . . . . . 325 SER CB . 26579 1 225 . 1 . 1 40 40 SER N N 15 114.93 0.3 . 1 . . . . . 325 SER N . 26579 1 226 . 1 . 1 41 41 ALA H H 1 8.29 0.02 . 1 . . . . . 326 ALA HN . 26579 1 227 . 1 . 1 41 41 ALA HA H 1 4.25 0.02 . 1 . . . . . 326 ALA HA . 26579 1 228 . 1 . 1 41 41 ALA HB1 H 1 1.4 0.02 . 1 . . . . . 326 ALA HB . 26579 1 229 . 1 . 1 41 41 ALA HB2 H 1 1.4 0.02 . 1 . . . . . 326 ALA HB . 26579 1 230 . 1 . 1 41 41 ALA HB3 H 1 1.4 0.02 . 1 . . . . . 326 ALA HB . 26579 1 231 . 1 . 1 41 41 ALA C C 13 178.27 0.3 . 1 . . . . . 326 ALA CO . 26579 1 232 . 1 . 1 41 41 ALA CA C 13 53.29 0.3 . 1 . . . . . 326 ALA CA . 26579 1 233 . 1 . 1 41 41 ALA CB C 13 19.03 0.3 . 1 . . . . . 326 ALA CB . 26579 1 234 . 1 . 1 41 41 ALA N N 15 126.07 0.3 . 1 . . . . . 326 ALA N . 26579 1 235 . 1 . 1 42 42 ALA H H 1 8.07 0.02 . 1 . . . . . 327 ALA HN . 26579 1 236 . 1 . 1 42 42 ALA HA H 1 4.23 0.02 . 1 . . . . . 327 ALA HA . 26579 1 237 . 1 . 1 42 42 ALA HB1 H 1 1.38 0.02 . 1 . . . . . 327 ALA HB . 26579 1 238 . 1 . 1 42 42 ALA HB2 H 1 1.38 0.02 . 1 . . . . . 327 ALA HB . 26579 1 239 . 1 . 1 42 42 ALA HB3 H 1 1.38 0.02 . 1 . . . . . 327 ALA HB . 26579 1 240 . 1 . 1 42 42 ALA C C 13 178.57 0.3 . 1 . . . . . 327 ALA CO . 26579 1 241 . 1 . 1 42 42 ALA CA C 13 53.15 0.3 . 1 . . . . . 327 ALA CA . 26579 1 242 . 1 . 1 42 42 ALA CB C 13 18.97 0.3 . 1 . . . . . 327 ALA CB . 26579 1 243 . 1 . 1 42 42 ALA N N 15 122.15 0.3 . 1 . . . . . 327 ALA N . 26579 1 244 . 1 . 1 43 43 LEU H H 1 7.94 0.02 . 1 . . . . . 328 LEU HN . 26579 1 245 . 1 . 1 43 43 LEU HA H 1 4.25 0.02 . 1 . . . . . 328 LEU HA . 26579 1 246 . 1 . 1 43 43 LEU HB2 H 1 1.62 0.02 . 2 . . . . . 328 LEU HB2 . 26579 1 247 . 1 . 1 43 43 LEU HB3 H 1 1.62 0.02 . 2 . . . . . 328 LEU HB3 . 26579 1 248 . 1 . 1 43 43 LEU C C 13 177.95 0.3 . 1 . . . . . 328 LEU CO . 26579 1 249 . 1 . 1 43 43 LEU CA C 13 55.67 0.3 . 1 . . . . . 328 LEU CA . 26579 1 250 . 1 . 1 43 43 LEU CB C 13 42.29 0.3 . 1 . . . . . 328 LEU CB . 26579 1 251 . 1 . 1 43 43 LEU N N 15 120.61 0.3 . 1 . . . . . 328 LEU N . 26579 1 252 . 1 . 1 44 44 ALA H H 1 8.08 0.02 . 1 . . . . . 329 ALA HN . 26579 1 253 . 1 . 1 44 44 ALA HA H 1 4.23 0.02 . 1 . . . . . 329 ALA HA . 26579 1 254 . 1 . 1 44 44 ALA HB1 H 1 1.4 0.02 . 1 . . . . . 329 ALA HB . 26579 1 255 . 1 . 1 44 44 ALA HB2 H 1 1.4 0.02 . 1 . . . . . 329 ALA HB . 26579 1 256 . 1 . 1 44 44 ALA HB3 H 1 1.4 0.02 . 1 . . . . . 329 ALA HB . 26579 1 257 . 1 . 1 44 44 ALA C C 13 178.26 0.3 . 1 . . . . . 329 ALA CO . 26579 1 258 . 1 . 1 44 44 ALA CA C 13 53.07 0.3 . 1 . . . . . 329 ALA CA . 26579 1 259 . 1 . 1 44 44 ALA CB C 13 19.04 0.3 . 1 . . . . . 329 ALA CB . 26579 1 260 . 1 . 1 44 44 ALA N N 15 123.87 0.3 . 1 . . . . . 329 ALA N . 26579 1 261 . 1 . 1 45 45 ALA H H 1 8.11 0.02 . 1 . . . . . 330 ALA HN . 26579 1 262 . 1 . 1 45 45 ALA HA H 1 4.27 0.02 . 1 . . . . . 330 ALA HA . 26579 1 263 . 1 . 1 45 45 ALA HB1 H 1 1.41 0.02 . 1 . . . . . 330 ALA HB . 26579 1 264 . 1 . 1 45 45 ALA HB2 H 1 1.41 0.02 . 1 . . . . . 330 ALA HB . 26579 1 265 . 1 . 1 45 45 ALA HB3 H 1 1.41 0.02 . 1 . . . . . 330 ALA HB . 26579 1 266 . 1 . 1 45 45 ALA C C 13 178.47 0.3 . 1 . . . . . 330 ALA CO . 26579 1 267 . 1 . 1 45 45 ALA CA C 13 53.13 0.3 . 1 . . . . . 330 ALA CA . 26579 1 268 . 1 . 1 45 45 ALA CB C 13 19.06 0.3 . 1 . . . . . 330 ALA CB . 26579 1 269 . 1 . 1 45 45 ALA N N 15 122.31 0.3 . 1 . . . . . 330 ALA N . 26579 1 270 . 1 . 1 46 46 SER H H 1 8.1 0.02 . 1 . . . . . 331 SER HN . 26579 1 271 . 1 . 1 46 46 SER HA H 1 4.38 0.02 . 1 . . . . . 331 SER HA . 26579 1 272 . 1 . 1 46 46 SER HB2 H 1 3.91 0.02 . 2 . . . . . 331 SER HB2 . 26579 1 273 . 1 . 1 46 46 SER HB3 H 1 3.91 0.02 . 2 . . . . . 331 SER HB3 . 26579 1 274 . 1 . 1 46 46 SER C C 13 175.01 0.3 . 1 . . . . . 331 SER CO . 26579 1 275 . 1 . 1 46 46 SER CA C 13 58.69 0.3 . 1 . . . . . 331 SER CA . 26579 1 276 . 1 . 1 46 46 SER CB C 13 63.72 0.3 . 1 . . . . . 331 SER CB . 26579 1 277 . 1 . 1 46 46 SER N N 15 114.27 0.3 . 1 . . . . . 331 SER N . 26579 1 278 . 1 . 1 47 47 ALA H H 1 8.18 0.02 . 1 . . . . . 332 ALA HN . 26579 1 279 . 1 . 1 47 47 ALA HA H 1 4.26 0.02 . 1 . . . . . 332 ALA HA . 26579 1 280 . 1 . 1 47 47 ALA HB1 H 1 1.42 0.02 . 1 . . . . . 332 ALA HB . 26579 1 281 . 1 . 1 47 47 ALA HB2 H 1 1.42 0.02 . 1 . . . . . 332 ALA HB . 26579 1 282 . 1 . 1 47 47 ALA HB3 H 1 1.42 0.02 . 1 . . . . . 332 ALA HB . 26579 1 283 . 1 . 1 47 47 ALA C C 13 178.06 0.3 . 1 . . . . . 332 ALA CO . 26579 1 284 . 1 . 1 47 47 ALA CA C 13 53.17 0.3 . 1 . . . . . 332 ALA CA . 26579 1 285 . 1 . 1 47 47 ALA CB C 13 19.17 0.3 . 1 . . . . . 332 ALA CB . 26579 1 286 . 1 . 1 47 47 ALA N N 15 125.58 0.3 . 1 . . . . . 332 ALA N . 26579 1 287 . 1 . 1 48 48 ALA H H 1 8.08 0.02 . 1 . . . . . 333 ALA HN . 26579 1 288 . 1 . 1 48 48 ALA HA H 1 4.27 0.02 . 1 . . . . . 333 ALA HA . 26579 1 289 . 1 . 1 48 48 ALA HB1 H 1 1.4 0.02 . 1 . . . . . 333 ALA HB . 26579 1 290 . 1 . 1 48 48 ALA HB2 H 1 1.4 0.02 . 1 . . . . . 333 ALA HB . 26579 1 291 . 1 . 1 48 48 ALA HB3 H 1 1.4 0.02 . 1 . . . . . 333 ALA HB . 26579 1 292 . 1 . 1 48 48 ALA C C 13 178.16 0.3 . 1 . . . . . 333 ALA CO . 26579 1 293 . 1 . 1 48 48 ALA CA C 13 52.97 0.3 . 1 . . . . . 333 ALA CA . 26579 1 294 . 1 . 1 48 48 ALA CB C 13 19.16 0.3 . 1 . . . . . 333 ALA CB . 26579 1 295 . 1 . 1 48 48 ALA N N 15 121.84 0.3 . 1 . . . . . 333 ALA N . 26579 1 296 . 1 . 1 49 49 SER H H 1 8.05 0.02 . 1 . . . . . 334 SER HN . 26579 1 297 . 1 . 1 49 49 SER HA H 1 4.39 0.02 . 1 . . . . . 334 SER HA . 26579 1 298 . 1 . 1 49 49 SER HB2 H 1 3.88 0.02 . 2 . . . . . 334 SER HB2 . 26579 1 299 . 1 . 1 49 49 SER HB3 H 1 3.88 0.02 . 2 . . . . . 334 SER HB3 . 26579 1 300 . 1 . 1 49 49 SER C C 13 174.62 0.3 . 1 . . . . . 334 SER CO . 26579 1 301 . 1 . 1 49 49 SER CA C 13 58.67 0.3 . 1 . . . . . 334 SER CA . 26579 1 302 . 1 . 1 49 49 SER CB C 13 63.65 0.3 . 1 . . . . . 334 SER CB . 26579 1 303 . 1 . 1 49 49 SER N N 15 114.11 0.3 . 1 . . . . . 334 SER N . 26579 1 304 . 1 . 1 50 50 ARG H H 1 8.12 0.02 . 1 . . . . . 335 ARG HN . 26579 1 305 . 1 . 1 50 50 ARG HA H 1 4.36 0.02 . 1 . . . . . 335 ARG HA . 26579 1 306 . 1 . 1 50 50 ARG HB2 H 1 1.85 0.02 . 2 . . . . . 335 ARG HB2 . 26579 1 307 . 1 . 1 50 50 ARG HB3 H 1 1.76 0.02 . 2 . . . . . 335 ARG HB3 . 26579 1 308 . 1 . 1 50 50 ARG C C 13 176.25 0.3 . 1 . . . . . 335 ARG CO . 26579 1 309 . 1 . 1 50 50 ARG CA C 13 56.23 0.3 . 1 . . . . . 335 ARG CA . 26579 1 310 . 1 . 1 50 50 ARG CB C 13 30.88 0.3 . 1 . . . . . 335 ARG CB . 26579 1 311 . 1 . 1 50 50 ARG N N 15 122.63 0.3 . 1 . . . . . 335 ARG N . 26579 1 312 . 1 . 1 51 51 VAL H H 1 8.02 0.02 . 1 . . . . . 336 VAL HN . 26579 1 313 . 1 . 1 51 51 VAL HA H 1 4.1 0.02 . 1 . . . . . 336 VAL HA . 26579 1 314 . 1 . 1 51 51 VAL HB H 1 2.07 0.02 . 1 . . . . . 336 VAL HB . 26579 1 315 . 1 . 1 51 51 VAL C C 13 175.95 0.3 . 1 . . . . . 336 VAL CO . 26579 1 316 . 1 . 1 51 51 VAL CA C 13 62.24 0.3 . 1 . . . . . 336 VAL CA . 26579 1 317 . 1 . 1 51 51 VAL CB C 13 32.85 0.3 . 1 . . . . . 336 VAL CB . 26579 1 318 . 1 . 1 51 51 VAL N N 15 120.73 0.3 . 1 . . . . . 336 VAL N . 26579 1 319 . 1 . 1 52 52 ALA H H 1 8.36 0.02 . 1 . . . . . 337 ALA HN . 26579 1 320 . 1 . 1 52 52 ALA HA H 1 4.38 0.02 . 1 . . . . . 337 ALA HA . 26579 1 321 . 1 . 1 52 52 ALA HB1 H 1 1.4 0.02 . 1 . . . . . 337 ALA HB . 26579 1 322 . 1 . 1 52 52 ALA HB2 H 1 1.4 0.02 . 1 . . . . . 337 ALA HB . 26579 1 323 . 1 . 1 52 52 ALA HB3 H 1 1.4 0.02 . 1 . . . . . 337 ALA HB . 26579 1 324 . 1 . 1 52 52 ALA C C 13 177.81 0.3 . 1 . . . . . 337 ALA CO . 26579 1 325 . 1 . 1 52 52 ALA CA C 13 52.6 0.3 . 1 . . . . . 337 ALA CA . 26579 1 326 . 1 . 1 52 52 ALA CB C 13 19.52 0.3 . 1 . . . . . 337 ALA CB . 26579 1 327 . 1 . 1 52 52 ALA N N 15 127.68 0.3 . 1 . . . . . 337 ALA N . 26579 1 328 . 1 . 1 53 53 THR H H 1 8.1 0.02 . 1 . . . . . 338 THR HN . 26579 1 329 . 1 . 1 53 53 THR HA H 1 4.37 0.02 . 1 . . . . . 338 THR HA . 26579 1 330 . 1 . 1 53 53 THR HB H 1 4.25 0.02 . 1 . . . . . 338 THR HB . 26579 1 331 . 1 . 1 53 53 THR C C 13 174.68 0.3 . 1 . . . . . 338 THR CO . 26579 1 332 . 1 . 1 53 53 THR CA C 13 61.58 0.3 . 1 . . . . . 338 THR CA . 26579 1 333 . 1 . 1 53 53 THR CB C 13 69.86 0.3 . 1 . . . . . 338 THR CB . 26579 1 334 . 1 . 1 53 53 THR N N 15 113.03 0.3 . 1 . . . . . 338 THR N . 26579 1 335 . 1 . 1 54 54 SER H H 1 8.29 0.02 . 1 . . . . . 339 SER HN . 26579 1 336 . 1 . 1 54 54 SER HA H 1 4.53 0.02 . 1 . . . . . 339 SER HA . 26579 1 337 . 1 . 1 54 54 SER HB2 H 1 3.91 0.02 . 2 . . . . . 339 SER HB2 . 26579 1 338 . 1 . 1 54 54 SER HB3 H 1 3.85 0.02 . 2 . . . . . 339 SER HB3 . 26579 1 339 . 1 . 1 54 54 SER C C 13 174.72 0.3 . 1 . . . . . 339 SER CO . 26579 1 340 . 1 . 1 54 54 SER CA C 13 58.32 0.3 . 1 . . . . . 339 SER CA . 26579 1 341 . 1 . 1 54 54 SER CB C 13 63.85 0.3 . 1 . . . . . 339 SER CB . 26579 1 342 . 1 . 1 54 54 SER N N 15 117.65 0.3 . 1 . . . . . 339 SER N . 26579 1 343 . 1 . 1 55 55 THR H H 1 8.16 0.02 . 1 . . . . . 340 THR HN . 26579 1 344 . 1 . 1 55 55 THR HA H 1 4.34 0.02 . 1 . . . . . 340 THR HA . 26579 1 345 . 1 . 1 55 55 THR HB H 1 4.25 0.02 . 1 . . . . . 340 THR HB . 26579 1 346 . 1 . 1 55 55 THR C C 13 174.01 0.3 . 1 . . . . . 340 THR CO . 26579 1 347 . 1 . 1 55 55 THR CA C 13 61.65 0.3 . 1 . . . . . 340 THR CA . 26579 1 348 . 1 . 1 55 55 THR CB C 13 69.55 0.3 . 1 . . . . . 340 THR CB . 26579 1 349 . 1 . 1 55 55 THR N N 15 115.15 0.3 . 1 . . . . . 340 THR N . 26579 1 350 . 1 . 1 56 56 ASP H H 1 8.25 0.02 . 1 . . . . . 341 ASP HN . 26579 1 351 . 1 . 1 56 56 ASP N N 15 123.99 0.3 . 1 . . . . . 341 ASP N . 26579 1 352 . 1 . 1 57 57 PRO HA H 1 4.33 0.02 . 1 . . . . . 342 PRO HA . 26579 1 353 . 1 . 1 57 57 PRO HB2 H 1 2.24 0.02 . 2 . . . . . 342 PRO HB2 . 26579 1 354 . 1 . 1 57 57 PRO HB3 H 1 1.95 0.02 . 2 . . . . . 342 PRO HB3 . 26579 1 355 . 1 . 1 57 57 PRO C C 13 177.43 0.3 . 1 . . . . . 342 PRO CO . 26579 1 356 . 1 . 1 57 57 PRO CA C 13 63.77 0.3 . 1 . . . . . 342 PRO CA . 26579 1 357 . 1 . 1 57 57 PRO CB C 13 32.17 0.3 . 1 . . . . . 342 PRO CB . 26579 1 358 . 1 . 1 58 58 SER H H 1 8.44 0.02 . 1 . . . . . 343 SER HN . 26579 1 359 . 1 . 1 58 58 SER HA H 1 4.4 0.02 . 1 . . . . . 343 SER HA . 26579 1 360 . 1 . 1 58 58 SER HB2 H 1 3.9 0.02 . 2 . . . . . 343 SER HB2 . 26579 1 361 . 1 . 1 58 58 SER HB3 H 1 3.9 0.02 . 2 . . . . . 343 SER HB3 . 26579 1 362 . 1 . 1 58 58 SER C C 13 175.05 0.3 . 1 . . . . . 343 SER CO . 26579 1 363 . 1 . 1 58 58 SER CA C 13 59.07 0.3 . 1 . . . . . 343 SER CA . 26579 1 364 . 1 . 1 58 58 SER CB C 13 63.57 0.3 . 1 . . . . . 343 SER CB . 26579 1 365 . 1 . 1 58 58 SER N N 15 114.98 0.3 . 1 . . . . . 343 SER N . 26579 1 366 . 1 . 1 59 59 CYS H H 1 8.1 0.02 . 1 . . . . . 344 SER HN . 26579 1 367 . 1 . 1 59 59 CYS HA H 1 4.47 0.02 . 1 . . . . . 344 SER HA . 26579 1 368 . 1 . 1 59 59 CYS HB2 H 1 3.91 0.02 . 2 . . . . . 344 SER HB2 . 26579 1 369 . 1 . 1 59 59 CYS HB3 H 1 3.91 0.02 . 2 . . . . . 344 SER HB3 . 26579 1 370 . 1 . 1 59 59 CYS C C 13 174.86 0.3 . 1 . . . . . 344 SER CO . 26579 1 371 . 1 . 1 59 59 CYS CA C 13 58.52 0.3 . 1 . . . . . 344 SER CA . 26579 1 372 . 1 . 1 59 59 CYS CB C 13 63.85 0.3 . 1 . . . . . 344 SER CB . 26579 1 373 . 1 . 1 59 59 CYS N N 15 117.37 0.3 . 1 . . . . . 344 SER N . 26579 1 374 . 1 . 1 60 60 SER H H 1 8.24 0.02 . 1 . . . . . 345 SER HN . 26579 1 375 . 1 . 1 60 60 SER HA H 1 4.42 0.02 . 1 . . . . . 345 SER HA . 26579 1 376 . 1 . 1 60 60 SER HB2 H 1 3.85 0.02 . 2 . . . . . 345 SER HB2 . 26579 1 377 . 1 . 1 60 60 SER HB3 H 1 3.85 0.02 . 2 . . . . . 345 SER HB3 . 26579 1 378 . 1 . 1 60 60 SER C C 13 174.95 0.3 . 1 . . . . . 345 SER CO . 26579 1 379 . 1 . 1 60 60 SER CA C 13 58.8 0.3 . 1 . . . . . 345 SER CA . 26579 1 380 . 1 . 1 60 60 SER CB C 13 63.71 0.3 . 1 . . . . . 345 SER CB . 26579 1 381 . 1 . 1 60 60 SER N N 15 117.54 0.3 . 1 . . . . . 345 SER N . 26579 1 382 . 1 . 1 61 61 GLY H H 1 8.28 0.02 . 1 . . . . . 346 GLY HN . 26579 1 383 . 1 . 1 61 61 GLY HA2 H 1 3.88 0.02 . 2 . . . . . 346 GLY HA2 . 26579 1 384 . 1 . 1 61 61 GLY HA3 H 1 3.88 0.02 . 2 . . . . . 346 GLY HA3 . 26579 1 385 . 1 . 1 61 61 GLY C C 13 173.63 0.3 . 1 . . . . . 346 GLY CO . 26579 1 386 . 1 . 1 61 61 GLY CA C 13 45.27 0.3 . 1 . . . . . 346 GLY CA . 26579 1 387 . 1 . 1 61 61 GLY N N 15 110.28 0.3 . 1 . . . . . 346 GLY N . 26579 1 388 . 1 . 1 62 62 PHE H H 1 7.94 0.02 . 1 . . . . . 347 PHE HN . 26579 1 389 . 1 . 1 62 62 PHE HA H 1 4.59 0.02 . 1 . . . . . 347 PHE HA . 26579 1 390 . 1 . 1 62 62 PHE HB2 H 1 3.05 0.02 . 2 . . . . . 347 PHE HB2 . 26579 1 391 . 1 . 1 62 62 PHE HB3 H 1 3.01 0.02 . 2 . . . . . 347 PHE HB3 . 26579 1 392 . 1 . 1 62 62 PHE C C 13 174.85 0.3 . 1 . . . . . 347 PHE CO . 26579 1 393 . 1 . 1 62 62 PHE CA C 13 57.42 0.3 . 1 . . . . . 347 PHE CA . 26579 1 394 . 1 . 1 62 62 PHE CB C 13 39.87 0.3 . 1 . . . . . 347 PHE CB . 26579 1 395 . 1 . 1 62 62 PHE N N 15 119.87 0.3 . 1 . . . . . 347 PHE N . 26579 1 396 . 1 . 1 63 63 ALA H H 1 8.11 0.02 . 1 . . . . . 348 ALA HN . 26579 1 397 . 1 . 1 63 63 ALA N N 15 127.42 0.3 . 1 . . . . . 348 ALA N . 26579 1 398 . 1 . 1 65 65 PRO HA H 1 4.32 0.02 . 1 . . . . . 350 PRO HA . 26579 1 399 . 1 . 1 65 65 PRO HB2 H 1 2.15 0.02 . 2 . . . . . 350 PRO HB2 . 26579 1 400 . 1 . 1 65 65 PRO HB3 H 1 1.71 0.02 . 2 . . . . . 350 PRO HB3 . 26579 1 401 . 1 . 1 65 65 PRO C C 13 176.33 0.3 . 1 . . . . . 350 PRO CO . 26579 1 402 . 1 . 1 65 65 PRO CA C 13 63.05 0.3 . 1 . . . . . 350 PRO CA . 26579 1 403 . 1 . 1 65 65 PRO CB C 13 31.97 0.3 . 1 . . . . . 350 PRO CB . 26579 1 404 . 1 . 1 66 66 ASP H H 1 8.22 0.02 . 1 . . . . . 351 ASP HN . 26579 1 405 . 1 . 1 66 66 ASP HA H 1 4.51 0.02 . 1 . . . . . 351 ASP HA . 26579 1 406 . 1 . 1 66 66 ASP HB2 H 1 2.6 0.02 . 2 . . . . . 351 ASP HB2 . 26579 1 407 . 1 . 1 66 66 ASP HB3 H 1 2.6 0.02 . 2 . . . . . 351 ASP HB3 . 26579 1 408 . 1 . 1 66 66 ASP C C 13 176.22 0.3 . 1 . . . . . 351 ASP CO . 26579 1 409 . 1 . 1 66 66 ASP CA C 13 53.74 0.3 . 1 . . . . . 351 ASP CA . 26579 1 410 . 1 . 1 66 66 ASP CB C 13 41.18 0.3 . 1 . . . . . 351 ASP CB . 26579 1 411 . 1 . 1 66 66 ASP N N 15 119.2 0.3 . 1 . . . . . 351 ASP N . 26579 1 412 . 1 . 1 67 67 PHE H H 1 8.09 0.02 . 1 . . . . . 352 PHE HN . 26579 1 413 . 1 . 1 67 67 PHE HA H 1 4.48 0.02 . 1 . . . . . 352 PHE HA . 26579 1 414 . 1 . 1 67 67 PHE HB2 H 1 3.06 0.02 . 2 . . . . . 352 PHE HB2 . 26579 1 415 . 1 . 1 67 67 PHE HB3 H 1 2.98 0.02 . 2 . . . . . 352 PHE HB3 . 26579 1 416 . 1 . 1 67 67 PHE C C 13 175.7 0.3 . 1 . . . . . 352 PHE CO . 26579 1 417 . 1 . 1 67 67 PHE CA C 13 58.1 0.3 . 1 . . . . . 352 PHE CA . 26579 1 418 . 1 . 1 67 67 PHE CB C 13 39.39 0.3 . 1 . . . . . 352 PHE CB . 26579 1 419 . 1 . 1 67 67 PHE N N 15 120.73 0.3 . 1 . . . . . 352 PHE N . 26579 1 420 . 1 . 1 68 68 ASN H H 1 8.28 0.02 . 1 . . . . . 353 ASN HN . 26579 1 421 . 1 . 1 68 68 ASN HA H 1 4.56 0.02 . 1 . . . . . 353 ASN HA . 26579 1 422 . 1 . 1 68 68 ASN HB2 H 1 2.67 0.02 . 2 . . . . . 353 ASN HB2 . 26579 1 423 . 1 . 1 68 68 ASN HB3 H 1 2.67 0.02 . 2 . . . . . 353 ASN HB3 . 26579 1 424 . 1 . 1 68 68 ASN C C 13 175.12 0.3 . 1 . . . . . 353 ASN CO . 26579 1 425 . 1 . 1 68 68 ASN CA C 13 53.32 0.3 . 1 . . . . . 353 ASN CA . 26579 1 426 . 1 . 1 68 68 ASN CB C 13 38.69 0.3 . 1 . . . . . 353 ASN CB . 26579 1 427 . 1 . 1 68 68 ASN N N 15 119.36 0.3 . 1 . . . . . 353 ASN N . 26579 1 428 . 1 . 1 69 69 HIS H H 1 8.18 0.02 . 1 . . . . . 354 HIS HN . 26579 1 429 . 1 . 1 69 69 HIS HA H 1 4.57 0.02 . 1 . . . . . 354 HIS HA . 26579 1 430 . 1 . 1 69 69 HIS HB2 H 1 3.21 0.02 . 2 . . . . . 354 HIS HB2 . 26579 1 431 . 1 . 1 69 69 HIS HB3 H 1 3.07 0.02 . 2 . . . . . 354 HIS HB3 . 26579 1 432 . 1 . 1 69 69 HIS C C 13 174.78 0.3 . 1 . . . . . 354 HIS CO . 26579 1 433 . 1 . 1 69 69 HIS CA C 13 56.08 0.3 . 1 . . . . . 354 HIS CA . 26579 1 434 . 1 . 1 69 69 HIS CB C 13 29.58 0.3 . 1 . . . . . 354 HIS CB . 26579 1 435 . 1 . 1 69 69 HIS N N 15 119.25 0.3 . 1 . . . . . 354 HIS N . 26579 1 436 . 1 . 1 70 70 CYS H H 1 8.28 0.02 . 1 . . . . . 355 SER HN . 26579 1 437 . 1 . 1 70 70 CYS HA H 1 4.4 0.02 . 1 . . . . . 355 SER HA . 26579 1 438 . 1 . 1 70 70 CYS HB2 H 1 3.85 0.02 . 2 . . . . . 355 SER HB2 . 26579 1 439 . 1 . 1 70 70 CYS HB3 H 1 3.85 0.02 . 2 . . . . . 355 SER HB3 . 26579 1 440 . 1 . 1 70 70 CYS C C 13 174.53 0.3 . 1 . . . . . 355 SER CO . 26579 1 441 . 1 . 1 70 70 CYS CA C 13 58.67 0.3 . 1 . . . . . 355 SER CA . 26579 1 442 . 1 . 1 70 70 CYS CB C 13 63.74 0.3 . 1 . . . . . 355 SER CB . 26579 1 443 . 1 . 1 70 70 CYS N N 15 116.25 0.3 . 1 . . . . . 355 SER N . 26579 1 444 . 1 . 1 71 71 LEU H H 1 8.15 0.02 . 1 . . . . . 356 LEU HN . 26579 1 445 . 1 . 1 71 71 LEU HA H 1 4.3 0.02 . 1 . . . . . 356 LEU HA . 26579 1 446 . 1 . 1 71 71 LEU HB2 H 1 1.59 0.02 . 2 . . . . . 356 LEU HB2 . 26579 1 447 . 1 . 1 71 71 LEU HB3 H 1 1.59 0.02 . 2 . . . . . 356 LEU HB3 . 26579 1 448 . 1 . 1 71 71 LEU C C 13 177.29 0.3 . 1 . . . . . 356 LEU CO . 26579 1 449 . 1 . 1 71 71 LEU CA C 13 55.4 0.3 . 1 . . . . . 356 LEU CA . 26579 1 450 . 1 . 1 71 71 LEU CB C 13 42.16 0.3 . 1 . . . . . 356 LEU CB . 26579 1 451 . 1 . 1 71 71 LEU N N 15 123.58 0.3 . 1 . . . . . 356 LEU N . 26579 1 452 . 1 . 1 72 72 LYS H H 1 8.13 0.02 . 1 . . . . . 357 LYS HN . 26579 1 453 . 1 . 1 72 72 LYS HA H 1 4.2 0.02 . 1 . . . . . 357 LYS HA . 26579 1 454 . 1 . 1 72 72 LYS HB2 H 1 1.59 0.02 . 2 . . . . . 357 LYS HB2 . 26579 1 455 . 1 . 1 72 72 LYS HB3 H 1 1.59 0.02 . 2 . . . . . 357 LYS HB3 . 26579 1 456 . 1 . 1 72 72 LYS C C 13 176.17 0.3 . 1 . . . . . 357 LYS CO . 26579 1 457 . 1 . 1 72 72 LYS CA C 13 56.27 0.3 . 1 . . . . . 357 LYS CA . 26579 1 458 . 1 . 1 72 72 LYS CB C 13 32.98 0.3 . 1 . . . . . 357 LYS CB . 26579 1 459 . 1 . 1 72 72 LYS N N 15 120.94 0.3 . 1 . . . . . 357 LYS N . 26579 1 460 . 1 . 1 73 73 ASP H H 1 8.14 0.02 . 1 . . . . . 358 ASP HN . 26579 1 461 . 1 . 1 73 73 ASP HA H 1 4.53 0.02 . 1 . . . . . 358 ASP HA . 26579 1 462 . 1 . 1 73 73 ASP HB2 H 1 2.62 0.02 . 2 . . . . . 358 ASP HB2 . 26579 1 463 . 1 . 1 73 73 ASP HB3 H 1 2.53 0.02 . 2 . . . . . 358 ASP HB3 . 26579 1 464 . 1 . 1 73 73 ASP C C 13 175.81 0.3 . 1 . . . . . 358 ASP CO . 26579 1 465 . 1 . 1 73 73 ASP CA C 13 54.51 0.3 . 1 . . . . . 358 ASP CA . 26579 1 466 . 1 . 1 73 73 ASP CB C 13 41.04 0.3 . 1 . . . . . 358 ASP CB . 26579 1 467 . 1 . 1 73 73 ASP N N 15 120.32 0.3 . 1 . . . . . 358 ASP N . 26579 1 468 . 1 . 1 74 74 TRP H H 1 7.89 0.02 . 1 . . . . . 359 TRP HN . 26579 1 469 . 1 . 1 74 74 TRP HA H 1 4.59 0.02 . 1 . . . . . 359 TRP HA . 26579 1 470 . 1 . 1 74 74 TRP HB2 H 1 3.16 0.02 . 2 . . . . . 359 TRP HB2 . 26579 1 471 . 1 . 1 74 74 TRP HB3 H 1 3.16 0.02 . 2 . . . . . 359 TRP HB3 . 26579 1 472 . 1 . 1 74 74 TRP C C 13 175.6 0.3 . 1 . . . . . 359 TRP CO . 26579 1 473 . 1 . 1 74 74 TRP CA C 13 57.13 0.3 . 1 . . . . . 359 TRP CA . 26579 1 474 . 1 . 1 74 74 TRP CB C 13 29.93 0.3 . 1 . . . . . 359 TRP CB . 26579 1 475 . 1 . 1 74 74 TRP N N 15 120.57 0.3 . 1 . . . . . 359 TRP N . 26579 1 476 . 1 . 1 75 75 ASP H H 1 8.07 0.02 . 1 . . . . . 360 ASP HN . 26579 1 477 . 1 . 1 75 75 ASP HA H 1 4.51 0.02 . 1 . . . . . 360 ASP HA . 26579 1 478 . 1 . 1 75 75 ASP HB2 H 1 2.44 0.02 . 2 . . . . . 360 ASP HB2 . 26579 1 479 . 1 . 1 75 75 ASP HB3 H 1 2.44 0.02 . 2 . . . . . 360 ASP HB3 . 26579 1 480 . 1 . 1 75 75 ASP C C 13 176.1 0.3 . 1 . . . . . 360 ASP CO . 26579 1 481 . 1 . 1 75 75 ASP CA C 13 53.71 0.3 . 1 . . . . . 360 ASP CA . 26579 1 482 . 1 . 1 75 75 ASP CB C 13 41.08 0.3 . 1 . . . . . 360 ASP CB . 26579 1 483 . 1 . 1 75 75 ASP N N 15 121.74 0.3 . 1 . . . . . 360 ASP N . 26579 1 484 . 1 . 1 76 76 TYR H H 1 7.84 0.02 . 1 . . . . . 361 TYR HN . 26579 1 485 . 1 . 1 76 76 TYR HA H 1 4.31 0.02 . 1 . . . . . 361 TYR HA . 26579 1 486 . 1 . 1 76 76 TYR HB2 H 1 2.93 0.02 . 2 . . . . . 361 TYR HB2 . 26579 1 487 . 1 . 1 76 76 TYR HB3 H 1 2.93 0.02 . 2 . . . . . 361 TYR HB3 . 26579 1 488 . 1 . 1 76 76 TYR C C 13 175.91 0.3 . 1 . . . . . 361 TYR CO . 26579 1 489 . 1 . 1 76 76 TYR CA C 13 58.62 0.3 . 1 . . . . . 361 TYR CA . 26579 1 490 . 1 . 1 76 76 TYR CB C 13 38.36 0.3 . 1 . . . . . 361 TYR CB . 26579 1 491 . 1 . 1 76 76 TYR N N 15 120.49 0.3 . 1 . . . . . 361 TYR N . 26579 1 492 . 1 . 1 77 77 ASN H H 1 8.24 0.02 . 1 . . . . . 362 ASN HN . 26579 1 493 . 1 . 1 77 77 ASN HA H 1 4.61 0.02 . 1 . . . . . 362 ASN HA . 26579 1 494 . 1 . 1 77 77 ASN HB2 H 1 2.76 0.02 . 2 . . . . . 362 ASN HB2 . 26579 1 495 . 1 . 1 77 77 ASN HB3 H 1 2.68 0.02 . 2 . . . . . 362 ASN HB3 . 26579 1 496 . 1 . 1 77 77 ASN C C 13 175.38 0.3 . 1 . . . . . 362 ASN CO . 26579 1 497 . 1 . 1 77 77 ASN CA C 13 53.33 0.3 . 1 . . . . . 362 ASN CA . 26579 1 498 . 1 . 1 77 77 ASN CB C 13 39.01 0.3 . 1 . . . . . 362 ASN CB . 26579 1 499 . 1 . 1 77 77 ASN N N 15 120.0 0.3 . 1 . . . . . 362 ASN N . 26579 1 500 . 1 . 1 78 78 GLY H H 1 7.75 0.02 . 1 . . . . . 363 GLY HN . 26579 1 501 . 1 . 1 78 78 GLY HA2 H 1 3.83 0.02 . 2 . . . . . 363 GLY HA2 . 26579 1 502 . 1 . 1 78 78 GLY HA3 H 1 3.83 0.02 . 2 . . . . . 363 GLY HA3 . 26579 1 503 . 1 . 1 78 78 GLY C C 13 173.58 0.3 . 1 . . . . . 363 GLY CO . 26579 1 504 . 1 . 1 78 78 GLY CA C 13 45.31 0.3 . 1 . . . . . 363 GLY CA . 26579 1 505 . 1 . 1 78 78 GLY N N 15 108.06 0.3 . 1 . . . . . 363 GLY N . 26579 1 506 . 1 . 1 79 79 LEU H H 1 7.91 0.02 . 1 . . . . . 364 LEU HN . 26579 1 507 . 1 . 1 79 79 LEU N N 15 122.5 0.3 . 1 . . . . . 364 LEU N . 26579 1 508 . 1 . 1 80 80 PRO HA H 1 4.39 0.02 . 1 . . . . . 365 PRO HA . 26579 1 509 . 1 . 1 80 80 PRO HB2 H 1 2.13 0.02 . 2 . . . . . 365 PRO HB2 . 26579 1 510 . 1 . 1 80 80 PRO HB3 H 1 1.79 0.02 . 2 . . . . . 365 PRO HB3 . 26579 1 511 . 1 . 1 80 80 PRO C C 13 176.62 0.3 . 1 . . . . . 365 PRO CO . 26579 1 512 . 1 . 1 80 80 PRO CA C 13 62.9 0.3 . 1 . . . . . 365 PRO CA . 26579 1 513 . 1 . 1 80 80 PRO CB C 13 31.92 0.3 . 1 . . . . . 365 PRO CB . 26579 1 514 . 1 . 1 81 81 VAL H H 1 8.08 0.02 . 1 . . . . . 366 VAL HN . 26579 1 515 . 1 . 1 81 81 VAL HA H 1 4.03 0.02 . 1 . . . . . 366 VAL HA . 26579 1 516 . 1 . 1 81 81 VAL C C 13 176.05 0.3 . 1 . . . . . 366 VAL CO . 26579 1 517 . 1 . 1 81 81 VAL CA C 13 62.26 0.3 . 1 . . . . . 366 VAL CA . 26579 1 518 . 1 . 1 81 81 VAL N N 15 120.58 0.3 . 1 . . . . . 366 VAL N . 26579 1 519 . 1 . 1 82 82 LEU H H 1 8.3 0.02 . 1 . . . . . 367 LEU HN . 26579 1 520 . 1 . 1 82 82 LEU HA H 1 4.46 0.02 . 1 . . . . . 367 LEU HA . 26579 1 521 . 1 . 1 82 82 LEU HB2 H 1 1.6 0.02 . 2 . . . . . 367 LEU HB2 . 26579 1 522 . 1 . 1 82 82 LEU HB3 H 1 1.6 0.02 . 2 . . . . . 367 LEU HB3 . 26579 1 523 . 1 . 1 82 82 LEU C C 13 177.33 0.3 . 1 . . . . . 367 LEU CO . 26579 1 524 . 1 . 1 82 82 LEU CA C 13 54.88 0.3 . 1 . . . . . 367 LEU CA . 26579 1 525 . 1 . 1 82 82 LEU CB C 13 42.59 0.3 . 1 . . . . . 367 LEU CB . 26579 1 526 . 1 . 1 82 82 LEU N N 15 125.99 0.3 . 1 . . . . . 367 LEU N . 26579 1 527 . 1 . 1 83 83 THR H H 1 8.13 0.02 . 1 . . . . . 368 THR HN . 26579 1 528 . 1 . 1 83 83 THR HA H 1 4.42 0.02 . 1 . . . . . 368 THR HA . 26579 1 529 . 1 . 1 83 83 THR HB H 1 4.23 0.02 . 1 . . . . . 368 THR HB . 26579 1 530 . 1 . 1 83 83 THR C C 13 174.6 0.3 . 1 . . . . . 368 THR CO . 26579 1 531 . 1 . 1 83 83 THR CA C 13 61.45 0.3 . 1 . . . . . 368 THR CA . 26579 1 532 . 1 . 1 83 83 THR CB C 13 69.71 0.3 . 1 . . . . . 368 THR CB . 26579 1 533 . 1 . 1 83 83 THR N N 15 114.94 0.3 . 1 . . . . . 368 THR N . 26579 1 534 . 1 . 1 84 84 THR H H 1 8.09 0.02 . 1 . . . . . 369 THR HN . 26579 1 535 . 1 . 1 84 84 THR HA H 1 4.33 0.02 . 1 . . . . . 369 THR HA . 26579 1 536 . 1 . 1 84 84 THR HB H 1 4.18 0.02 . 1 . . . . . 369 THR HB . 26579 1 537 . 1 . 1 84 84 THR C C 13 174.28 0.3 . 1 . . . . . 369 THR CO . 26579 1 538 . 1 . 1 84 84 THR CA C 13 61.76 0.3 . 1 . . . . . 369 THR CA . 26579 1 539 . 1 . 1 84 84 THR CB C 13 69.65 0.3 . 1 . . . . . 369 THR CB . 26579 1 540 . 1 . 1 84 84 THR N N 15 115.34 0.3 . 1 . . . . . 369 THR N . 26579 1 541 . 1 . 1 85 85 ASN H H 1 8.37 0.02 . 1 . . . . . 370 ASN HN . 26579 1 542 . 1 . 1 85 85 ASN HA H 1 4.67 0.02 . 1 . . . . . 370 ASN HA . 26579 1 543 . 1 . 1 85 85 ASN HB2 H 1 2.77 0.02 . 2 . . . . . 370 ASN HB2 . 26579 1 544 . 1 . 1 85 85 ASN HB3 H 1 2.77 0.02 . 2 . . . . . 370 ASN HB3 . 26579 1 545 . 1 . 1 85 85 ASN C C 13 174.87 0.3 . 1 . . . . . 370 ASN CO . 26579 1 546 . 1 . 1 85 85 ASN CA C 13 53.21 0.3 . 1 . . . . . 370 ASN CA . 26579 1 547 . 1 . 1 85 85 ASN CB C 13 38.95 0.3 . 1 . . . . . 370 ASN CB . 26579 1 548 . 1 . 1 85 85 ASN N N 15 120.75 0.3 . 1 . . . . . 370 ASN N . 26579 1 549 . 1 . 1 86 86 ALA H H 1 8.17 0.02 . 1 . . . . . 371 ALA HN . 26579 1 550 . 1 . 1 86 86 ALA HA H 1 4.29 0.02 . 1 . . . . . 371 ALA HA . 26579 1 551 . 1 . 1 86 86 ALA HB1 H 1 1.34 0.02 . 1 . . . . . 371 ALA HB . 26579 1 552 . 1 . 1 86 86 ALA HB2 H 1 1.34 0.02 . 1 . . . . . 371 ALA HB . 26579 1 553 . 1 . 1 86 86 ALA HB3 H 1 1.34 0.02 . 1 . . . . . 371 ALA HB . 26579 1 554 . 1 . 1 86 86 ALA C C 13 177.57 0.3 . 1 . . . . . 371 ALA CO . 26579 1 555 . 1 . 1 86 86 ALA CA C 13 52.66 0.3 . 1 . . . . . 371 ALA CA . 26579 1 556 . 1 . 1 86 86 ALA CB C 13 19.42 0.3 . 1 . . . . . 371 ALA CB . 26579 1 557 . 1 . 1 86 86 ALA N N 15 124.01 0.3 . 1 . . . . . 371 ALA N . 26579 1 558 . 1 . 1 87 87 ILE H H 1 8.0 0.02 . 1 . . . . . 372 ILE HN . 26579 1 559 . 1 . 1 87 87 ILE HA H 1 4.12 0.02 . 1 . . . . . 372 ILE HA . 26579 1 560 . 1 . 1 87 87 ILE C C 13 176.74 0.3 . 1 . . . . . 372 ILE CO . 26579 1 561 . 1 . 1 87 87 ILE CA C 13 61.26 0.3 . 1 . . . . . 372 ILE CA . 26579 1 562 . 1 . 1 87 87 ILE N N 15 119.14 0.3 . 1 . . . . . 372 ILE N . 26579 1 563 . 1 . 1 88 88 GLY H H 1 8.28 0.02 . 1 . . . . . 373 GLY HN . 26579 1 564 . 1 . 1 88 88 GLY HA2 H 1 3.82 0.02 . 2 . . . . . 373 GLY HA2 . 26579 1 565 . 1 . 1 88 88 GLY HA3 H 1 3.82 0.02 . 2 . . . . . 373 GLY HA3 . 26579 1 566 . 1 . 1 88 88 GLY C C 13 173.92 0.3 . 1 . . . . . 373 GLY CO . 26579 1 567 . 1 . 1 88 88 GLY CA C 13 45.27 0.3 . 1 . . . . . 373 GLY CA . 26579 1 568 . 1 . 1 88 88 GLY N N 15 112.27 0.3 . 1 . . . . . 373 GLY N . 26579 1 569 . 1 . 1 89 89 GLN H H 1 8.0 0.02 . 1 . . . . . 374 GLN HN . 26579 1 570 . 1 . 1 89 89 GLN HA H 1 4.21 0.02 . 1 . . . . . 374 GLN HA . 26579 1 571 . 1 . 1 89 89 GLN HB2 H 1 1.82 0.02 . 2 . . . . . 374 GLN HB2 . 26579 1 572 . 1 . 1 89 89 GLN HB3 H 1 1.82 0.02 . 2 . . . . . 374 GLN HB3 . 26579 1 573 . 1 . 1 89 89 GLN C C 13 175.75 0.3 . 1 . . . . . 374 GLN CO . 26579 1 574 . 1 . 1 89 89 GLN CA C 13 55.94 0.3 . 1 . . . . . 374 GLN CA . 26579 1 575 . 1 . 1 89 89 GLN CB C 13 29.44 0.3 . 1 . . . . . 374 GLN CB . 26579 1 576 . 1 . 1 89 89 GLN N N 15 119.66 0.3 . 1 . . . . . 374 GLN N . 26579 1 577 . 1 . 1 90 90 TRP H H 1 8.09 0.02 . 1 . . . . . 375 TRP HN . 26579 1 578 . 1 . 1 90 90 TRP HA H 1 4.68 0.02 . 1 . . . . . 375 TRP HA . 26579 1 579 . 1 . 1 90 90 TRP HB2 H 1 3.3 0.02 . 2 . . . . . 375 TRP HB2 . 26579 1 580 . 1 . 1 90 90 TRP HB3 H 1 3.15 0.02 . 2 . . . . . 375 TRP HB3 . 26579 1 581 . 1 . 1 90 90 TRP C C 13 175.88 0.3 . 1 . . . . . 375 TRP CO . 26579 1 582 . 1 . 1 90 90 TRP CA C 13 57.12 0.3 . 1 . . . . . 375 TRP CA . 26579 1 583 . 1 . 1 90 90 TRP CB C 13 29.61 0.3 . 1 . . . . . 375 TRP CB . 26579 1 584 . 1 . 1 90 90 TRP N N 15 121.41 0.3 . 1 . . . . . 375 TRP N . 26579 1 585 . 1 . 1 91 91 ASP H H 1 8.2 0.02 . 1 . . . . . 376 ASP HN . 26579 1 586 . 1 . 1 91 91 ASP HA H 1 4.52 0.02 . 1 . . . . . 376 ASP HA . 26579 1 587 . 1 . 1 91 91 ASP HB2 H 1 2.52 0.02 . 2 . . . . . 376 ASP HB2 . 26579 1 588 . 1 . 1 91 91 ASP HB3 H 1 2.52 0.02 . 2 . . . . . 376 ASP HB3 . 26579 1 589 . 1 . 1 91 91 ASP C C 13 175.91 0.3 . 1 . . . . . 376 ASP CO . 26579 1 590 . 1 . 1 91 91 ASP CA C 13 54.37 0.3 . 1 . . . . . 376 ASP CA . 26579 1 591 . 1 . 1 91 91 ASP CB C 13 41.08 0.3 . 1 . . . . . 376 ASP CB . 26579 1 592 . 1 . 1 91 91 ASP N N 15 121.2 0.3 . 1 . . . . . 376 ASP N . 26579 1 593 . 1 . 1 92 92 LEU H H 1 7.91 0.02 . 1 . . . . . 377 LEU HN . 26579 1 594 . 1 . 1 92 92 LEU HA H 1 4.24 0.02 . 1 . . . . . 377 LEU HA . 26579 1 595 . 1 . 1 92 92 LEU HB2 H 1 1.56 0.02 . 2 . . . . . 377 LEU HB2 . 26579 1 596 . 1 . 1 92 92 LEU HB3 H 1 1.56 0.02 . 2 . . . . . 377 LEU HB3 . 26579 1 597 . 1 . 1 92 92 LEU C C 13 177.34 0.3 . 1 . . . . . 377 LEU CO . 26579 1 598 . 1 . 1 92 92 LEU CA C 13 55.4 0.3 . 1 . . . . . 377 LEU CA . 26579 1 599 . 1 . 1 92 92 LEU CB C 13 42.32 0.3 . 1 . . . . . 377 LEU CB . 26579 1 600 . 1 . 1 92 92 LEU N N 15 121.45 0.3 . 1 . . . . . 377 LEU N . 26579 1 601 . 1 . 1 93 93 VAL H H 1 8.0 0.02 . 1 . . . . . 378 VAL HN . 26579 1 602 . 1 . 1 93 93 VAL HA H 1 4.09 0.02 . 1 . . . . . 378 VAL HA . 26579 1 603 . 1 . 1 93 93 VAL HB H 1 2.07 0.02 . 1 . . . . . 378 VAL HB . 26579 1 604 . 1 . 1 93 93 VAL C C 13 176.33 0.3 . 1 . . . . . 378 VAL CO . 26579 1 605 . 1 . 1 93 93 VAL CA C 13 62.49 0.3 . 1 . . . . . 378 VAL CA . 26579 1 606 . 1 . 1 93 93 VAL CB C 13 32.78 0.3 . 1 . . . . . 378 VAL CB . 26579 1 607 . 1 . 1 93 93 VAL N N 15 119.96 0.3 . 1 . . . . . 378 VAL N . 26579 1 608 . 1 . 1 94 94 CYS H H 1 8.27 0.02 . 1 . . . . . 379 SER HN . 26579 1 609 . 1 . 1 94 94 CYS HA H 1 4.4 0.02 . 1 . . . . . 379 SER HA . 26579 1 610 . 1 . 1 94 94 CYS HB2 H 1 3.84 0.02 . 2 . . . . . 379 SER HB2 . 26579 1 611 . 1 . 1 94 94 CYS HB3 H 1 3.78 0.02 . 2 . . . . . 379 SER HB3 . 26579 1 612 . 1 . 1 94 94 CYS C C 13 174.38 0.3 . 1 . . . . . 379 SER CO . 26579 1 613 . 1 . 1 94 94 CYS CA C 13 58.48 0.3 . 1 . . . . . 379 SER CA . 26579 1 614 . 1 . 1 94 94 CYS CB C 13 63.89 0.3 . 1 . . . . . 379 SER CB . 26579 1 615 . 1 . 1 94 94 CYS N N 15 118.68 0.3 . 1 . . . . . 379 SER N . 26579 1 616 . 1 . 1 95 95 ASP H H 1 8.27 0.02 . 1 . . . . . 380 ASP HN . 26579 1 617 . 1 . 1 95 95 ASP HA H 1 4.57 0.02 . 1 . . . . . 380 ASP HA . 26579 1 618 . 1 . 1 95 95 ASP HB2 H 1 2.65 0.02 . 2 . . . . . 380 ASP HB2 . 26579 1 619 . 1 . 1 95 95 ASP HB3 H 1 2.65 0.02 . 2 . . . . . 380 ASP HB3 . 26579 1 620 . 1 . 1 95 95 ASP C C 13 176.37 0.3 . 1 . . . . . 380 ASP CO . 26579 1 621 . 1 . 1 95 95 ASP CA C 13 54.56 0.3 . 1 . . . . . 380 ASP CA . 26579 1 622 . 1 . 1 95 95 ASP CB C 13 41.2 0.3 . 1 . . . . . 380 ASP CB . 26579 1 623 . 1 . 1 95 95 ASP N N 15 122.24 0.3 . 1 . . . . . 380 ASP N . 26579 1 624 . 1 . 1 96 96 LEU H H 1 8.09 0.02 . 1 . . . . . 381 LEU HN . 26579 1 625 . 1 . 1 96 96 LEU HA H 1 4.23 0.02 . 1 . . . . . 381 LEU HA . 26579 1 626 . 1 . 1 96 96 LEU HB2 H 1 1.51 0.02 . 2 . . . . . 381 LEU HB2 . 26579 1 627 . 1 . 1 96 96 LEU HB3 H 1 1.51 0.02 . 2 . . . . . 381 LEU HB3 . 26579 1 628 . 1 . 1 96 96 LEU C C 13 178.11 0.3 . 1 . . . . . 381 LEU CO . 26579 1 629 . 1 . 1 96 96 LEU CA C 13 55.45 0.3 . 1 . . . . . 381 LEU CA . 26579 1 630 . 1 . 1 96 96 LEU CB C 13 42.11 0.3 . 1 . . . . . 381 LEU CB . 26579 1 631 . 1 . 1 96 96 LEU N N 15 121.68 0.3 . 1 . . . . . 381 LEU N . 26579 1 632 . 1 . 1 97 97 GLY H H 1 8.29 0.02 . 1 . . . . . 382 GLY HN . 26579 1 633 . 1 . 1 97 97 GLY HA2 H 1 3.86 0.02 . 2 . . . . . 382 GLY HA2 . 26579 1 634 . 1 . 1 97 97 GLY HA3 H 1 3.86 0.02 . 2 . . . . . 382 GLY HA3 . 26579 1 635 . 1 . 1 97 97 GLY C C 13 174.15 0.3 . 1 . . . . . 382 GLY CO . 26579 1 636 . 1 . 1 97 97 GLY CA C 13 45.67 0.3 . 1 . . . . . 382 GLY CA . 26579 1 637 . 1 . 1 97 97 GLY N N 15 108.38 0.3 . 1 . . . . . 382 GLY N . 26579 1 638 . 1 . 1 98 98 TRP H H 1 7.78 0.02 . 1 . . . . . 383 TRP HN . 26579 1 639 . 1 . 1 98 98 TRP HA H 1 4.6 0.02 . 1 . . . . . 383 TRP HA . 26579 1 640 . 1 . 1 98 98 TRP HB2 H 1 3.23 0.02 . 2 . . . . . 383 TRP HB2 . 26579 1 641 . 1 . 1 98 98 TRP HB3 H 1 3.23 0.02 . 2 . . . . . 383 TRP HB3 . 26579 1 642 . 1 . 1 98 98 TRP C C 13 176.09 0.3 . 1 . . . . . 383 TRP CO . 26579 1 643 . 1 . 1 98 98 TRP CA C 13 57.08 0.3 . 1 . . . . . 383 TRP CA . 26579 1 644 . 1 . 1 98 98 TRP CB C 13 29.6 0.3 . 1 . . . . . 383 TRP CB . 26579 1 645 . 1 . 1 98 98 TRP N N 15 120.15 0.3 . 1 . . . . . 383 TRP N . 26579 1 646 . 1 . 1 99 99 GLN H H 1 8.02 0.02 . 1 . . . . . 384 GLN HN . 26579 1 647 . 1 . 1 99 99 GLN HA H 1 4.15 0.02 . 1 . . . . . 384 GLN HA . 26579 1 648 . 1 . 1 99 99 GLN HB2 H 1 1.87 0.02 . 2 . . . . . 384 GLN HB2 . 26579 1 649 . 1 . 1 99 99 GLN HB3 H 1 1.73 0.02 . 2 . . . . . 384 GLN HB3 . 26579 1 650 . 1 . 1 99 99 GLN C C 13 175.42 0.3 . 1 . . . . . 384 GLN CO . 26579 1 651 . 1 . 1 99 99 GLN CA C 13 55.86 0.3 . 1 . . . . . 384 GLN CA . 26579 1 652 . 1 . 1 99 99 GLN CB C 13 29.6 0.3 . 1 . . . . . 384 GLN CB . 26579 1 653 . 1 . 1 99 99 GLN N N 15 121.38 0.3 . 1 . . . . . 384 GLN N . 26579 1 654 . 1 . 1 100 100 VAL H H 1 7.94 0.02 . 1 . . . . . 385 VAL HN . 26579 1 655 . 1 . 1 100 100 VAL HA H 1 3.97 0.02 . 1 . . . . . 385 VAL HA . 26579 1 656 . 1 . 1 100 100 VAL HB H 1 1.97 0.02 . 1 . . . . . 385 VAL HB . 26579 1 657 . 1 . 1 100 100 VAL C C 13 175.81 0.3 . 1 . . . . . 385 VAL CO . 26579 1 658 . 1 . 1 100 100 VAL CA C 13 62.49 0.3 . 1 . . . . . 385 VAL CA . 26579 1 659 . 1 . 1 100 100 VAL CB C 13 32.74 0.3 . 1 . . . . . 385 VAL CB . 26579 1 660 . 1 . 1 100 100 VAL N N 15 121.29 0.3 . 1 . . . . . 385 VAL N . 26579 1 661 . 1 . 1 101 101 ILE H H 1 8.14 0.02 . 1 . . . . . 386 ILE HN . 26579 1 662 . 1 . 1 101 101 ILE HA H 1 4.12 0.02 . 1 . . . . . 386 ILE HA . 26579 1 663 . 1 . 1 101 101 ILE HB H 1 1.82 0.02 . 1 . . . . . 386 ILE HB . 26579 1 664 . 1 . 1 101 101 ILE C C 13 175.95 0.3 . 1 . . . . . 386 ILE CO . 26579 1 665 . 1 . 1 101 101 ILE CA C 13 60.8 0.3 . 1 . . . . . 386 ILE CA . 26579 1 666 . 1 . 1 101 101 ILE CB C 13 38.49 0.3 . 1 . . . . . 386 ILE CB . 26579 1 667 . 1 . 1 101 101 ILE N N 15 125.2 0.3 . 1 . . . . . 386 ILE N . 26579 1 668 . 1 . 1 102 102 LEU H H 1 8.28 0.02 . 1 . . . . . 387 LEU HN . 26579 1 669 . 1 . 1 102 102 LEU HA H 1 4.38 0.02 . 1 . . . . . 387 LEU HA . 26579 1 670 . 1 . 1 102 102 LEU HB2 H 1 1.61 0.02 . 2 . . . . . 387 LEU HB2 . 26579 1 671 . 1 . 1 102 102 LEU HB3 H 1 1.61 0.02 . 2 . . . . . 387 LEU HB3 . 26579 1 672 . 1 . 1 102 102 LEU C C 13 176.98 0.3 . 1 . . . . . 387 LEU CO . 26579 1 673 . 1 . 1 102 102 LEU CA C 13 54.85 0.3 . 1 . . . . . 387 LEU CA . 26579 1 674 . 1 . 1 102 102 LEU CB C 13 42.6 0.3 . 1 . . . . . 387 LEU CB . 26579 1 675 . 1 . 1 102 102 LEU N N 15 126.85 0.3 . 1 . . . . . 387 LEU N . 26579 1 676 . 1 . 1 103 103 GLU H H 1 8.3 0.02 . 1 . . . . . 388 GLU HN . 26579 1 677 . 1 . 1 103 103 GLU HA H 1 4.28 0.02 . 1 . . . . . 388 GLU HA . 26579 1 678 . 1 . 1 103 103 GLU HB2 H 1 2.05 0.02 . 2 . . . . . 388 GLU HB2 . 26579 1 679 . 1 . 1 103 103 GLU HB3 H 1 1.92 0.02 . 2 . . . . . 388 GLU HB3 . 26579 1 680 . 1 . 1 103 103 GLU C C 13 175.38 0.3 . 1 . . . . . 388 GLU CO . 26579 1 681 . 1 . 1 103 103 GLU CA C 13 56.54 0.3 . 1 . . . . . 388 GLU CA . 26579 1 682 . 1 . 1 103 103 GLU CB C 13 30.45 0.3 . 1 . . . . . 388 GLU CB . 26579 1 683 . 1 . 1 103 103 GLU N N 15 122.49 0.3 . 1 . . . . . 388 GLU N . 26579 1 684 . 1 . 1 104 104 GLN H H 1 7.95 0.02 . 1 . . . . . 389 GLN HN . 26579 1 685 . 1 . 1 104 104 GLN N N 15 126.39 0.3 . 1 . . . . . 389 GLN N . 26579 1 stop_ save_