data_34393 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34393 _Entry.Title ; Bordetella pertussis adenylate cyclase toxin transmembrane segment 411-490 in DPC micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-04-15 _Entry.Accession_date 2019-04-15 _Entry.Last_release_date 2020-05-05 _Entry.Original_release_date 2020-05-05 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 J. Masin J. . . . 34393 2 L. Bumba L. . . . 34393 3 V. Veverka V. . . . 34393 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Bordetella pertussis' . 34393 TOXIN . 34393 'adenylate cyclase' . 34393 'calcium binding' . 34393 'membrane protein' . 34393 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34393 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 303 34393 '15N chemical shifts' 83 34393 '1H chemical shifts' 499 34393 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 . . 2020-08-16 2019-04-15 update BMRB 'update entry citation' 34393 1 . . 2020-05-08 2019-04-15 original author 'original release' 34393 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6RFM 'BMRB Entry Tracking System' 34393 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34393 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32333856 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Negative charge of the AC-to-Hly linking segment modulates calcium-dependent membrane activities of Bordetella adenylate cyclase toxin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta Biomembr.' _Citation.Journal_name_full 'Biochimica et biophysica acta. Biomembranes' _Citation.Journal_volume 1862 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1879-2642 _Citation.Journal_CSD 0353 _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 183310 _Citation.Page_last 183310 _Citation.Year 2020 _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 Anna Sukova A. . . . 34393 1 2 Ladislav Bumba L. . . . 34393 1 3 Pavel Srb P. . . . 34393 1 4 Vaclav Veverka V. . . . 34393 1 5 Ondrej Stanek O. . . . 34393 1 6 Jana Holubova J. . . . 34393 1 7 Josef Chmelik J. . . . 34393 1 8 Radovan Fiser R. . . . 34393 1 9 Peter Sebo P. . . . 34393 1 10 Jiri Masin J. . . . 34393 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34393 _Assembly.ID 1 _Assembly.Name 'Bifunctional hemolysin/adenylate cyclase (E.C.4.6.1.1)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 34393 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34393 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSRSFSLGEVSDMAAVEAAE LEMTRQVLHAGARQDDAEPG VSGASAHWGQRALQGAQAVA AAQRLVHAIALMTQFGRAGS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 80 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 4.6.1.1 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8226.117 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID AC-HLY common 34393 1 ACT common 34393 1 Cyclolysin common 34393 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 411 GLY . 34393 1 2 412 SER . 34393 1 3 413 ARG . 34393 1 4 414 SER . 34393 1 5 415 PHE . 34393 1 6 416 SER . 34393 1 7 417 LEU . 34393 1 8 418 GLY . 34393 1 9 419 GLU . 34393 1 10 420 VAL . 34393 1 11 421 SER . 34393 1 12 422 ASP . 34393 1 13 423 MET . 34393 1 14 424 ALA . 34393 1 15 425 ALA . 34393 1 16 426 VAL . 34393 1 17 427 GLU . 34393 1 18 428 ALA . 34393 1 19 429 ALA . 34393 1 20 430 GLU . 34393 1 21 431 LEU . 34393 1 22 432 GLU . 34393 1 23 433 MET . 34393 1 24 434 THR . 34393 1 25 435 ARG . 34393 1 26 436 GLN . 34393 1 27 437 VAL . 34393 1 28 438 LEU . 34393 1 29 439 HIS . 34393 1 30 440 ALA . 34393 1 31 441 GLY . 34393 1 32 442 ALA . 34393 1 33 443 ARG . 34393 1 34 444 GLN . 34393 1 35 445 ASP . 34393 1 36 446 ASP . 34393 1 37 447 ALA . 34393 1 38 448 GLU . 34393 1 39 449 PRO . 34393 1 40 450 GLY . 34393 1 41 451 VAL . 34393 1 42 452 SER . 34393 1 43 453 GLY . 34393 1 44 454 ALA . 34393 1 45 455 SER . 34393 1 46 456 ALA . 34393 1 47 457 HIS . 34393 1 48 458 TRP . 34393 1 49 459 GLY . 34393 1 50 460 GLN . 34393 1 51 461 ARG . 34393 1 52 462 ALA . 34393 1 53 463 LEU . 34393 1 54 464 GLN . 34393 1 55 465 GLY . 34393 1 56 466 ALA . 34393 1 57 467 GLN . 34393 1 58 468 ALA . 34393 1 59 469 VAL . 34393 1 60 470 ALA . 34393 1 61 471 ALA . 34393 1 62 472 ALA . 34393 1 63 473 GLN . 34393 1 64 474 ARG . 34393 1 65 475 LEU . 34393 1 66 476 VAL . 34393 1 67 477 HIS . 34393 1 68 478 ALA . 34393 1 69 479 ILE . 34393 1 70 480 ALA . 34393 1 71 481 LEU . 34393 1 72 482 MET . 34393 1 73 483 THR . 34393 1 74 484 GLN . 34393 1 75 485 PHE . 34393 1 76 486 GLY . 34393 1 77 487 ARG . 34393 1 78 488 ALA . 34393 1 79 489 GLY . 34393 1 80 490 SER . 34393 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 34393 1 . SER 2 2 34393 1 . ARG 3 3 34393 1 . SER 4 4 34393 1 . PHE 5 5 34393 1 . SER 6 6 34393 1 . LEU 7 7 34393 1 . GLY 8 8 34393 1 . GLU 9 9 34393 1 . VAL 10 10 34393 1 . SER 11 11 34393 1 . ASP 12 12 34393 1 . MET 13 13 34393 1 . ALA 14 14 34393 1 . ALA 15 15 34393 1 . VAL 16 16 34393 1 . GLU 17 17 34393 1 . ALA 18 18 34393 1 . ALA 19 19 34393 1 . GLU 20 20 34393 1 . LEU 21 21 34393 1 . GLU 22 22 34393 1 . MET 23 23 34393 1 . THR 24 24 34393 1 . ARG 25 25 34393 1 . GLN 26 26 34393 1 . VAL 27 27 34393 1 . LEU 28 28 34393 1 . HIS 29 29 34393 1 . ALA 30 30 34393 1 . GLY 31 31 34393 1 . ALA 32 32 34393 1 . ARG 33 33 34393 1 . GLN 34 34 34393 1 . ASP 35 35 34393 1 . ASP 36 36 34393 1 . ALA 37 37 34393 1 . GLU 38 38 34393 1 . PRO 39 39 34393 1 . GLY 40 40 34393 1 . VAL 41 41 34393 1 . SER 42 42 34393 1 . GLY 43 43 34393 1 . ALA 44 44 34393 1 . SER 45 45 34393 1 . ALA 46 46 34393 1 . HIS 47 47 34393 1 . TRP 48 48 34393 1 . GLY 49 49 34393 1 . GLN 50 50 34393 1 . ARG 51 51 34393 1 . ALA 52 52 34393 1 . LEU 53 53 34393 1 . GLN 54 54 34393 1 . GLY 55 55 34393 1 . ALA 56 56 34393 1 . GLN 57 57 34393 1 . ALA 58 58 34393 1 . VAL 59 59 34393 1 . ALA 60 60 34393 1 . ALA 61 61 34393 1 . ALA 62 62 34393 1 . GLN 63 63 34393 1 . ARG 64 64 34393 1 . LEU 65 65 34393 1 . VAL 66 66 34393 1 . HIS 67 67 34393 1 . ALA 68 68 34393 1 . ILE 69 69 34393 1 . ALA 70 70 34393 1 . LEU 71 71 34393 1 . MET 72 72 34393 1 . THR 73 73 34393 1 . GLN 74 74 34393 1 . PHE 75 75 34393 1 . GLY 76 76 34393 1 . ARG 77 77 34393 1 . ALA 78 78 34393 1 . GLY 79 79 34393 1 . SER 80 80 34393 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 34393 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 520 organism . 'Bordetella pertussis' 'Bordetella pertussis' . . Bacteria . Bordetella pertussis . . . . . . . . . . . 'cya, cyaA, BN118_0468' . 34393 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 34393 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34393 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34393 _Sample.ID 1 _Sample.Name . _Sample.Type micelle _Sample.Sub_type . _Sample.Details '450 uM [U-13C; U-15N] Cya411-490, 25 mM sodium phosphate, 100 mM sodium chloride, 1 mM TCEP, 100 mM [U-2H] DPC, 90% H2O/10% D2O' _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 Cya411-490 '[U-13C; U-15N]' . . 1 $entity_1 . . 450 . . uM . . . . 34393 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 34393 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 34393 1 4 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 34393 1 5 DPC [U-2H] . . . . . . 100 . . mM . . . . 34393 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 34393 _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' 125 . mM 34393 1 pH 7.5 . pH 34393 1 pressure 1 . atm 34393 1 temperature 298 . K 34393 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34393 _Software.ID 1 _Software.Type . _Software.Name YASARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID YASARA . . 34393 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34393 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34393 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34393 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34393 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34393 _Software.ID 3 _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 . . 34393 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34393 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34393 _Software.ID 4 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34393 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 34393 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34393 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 34393 _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 NMR_spectrometer_1 Bruker AVANCE . 850 . . . 34393 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 34393 _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 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34393 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34393 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34393 1 4 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34393 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34393 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34393 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34393 _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 0.000 internal indirect 0.25144953 . . . . . 34393 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34393 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34393 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34393 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCACB' . . . 34393 1 2 '3D CBCA(CO)NH' . . . 34393 1 3 '3D HNCO' . . . 34393 1 4 '3D HCCH-TOCSY' . . . 34393 1 5 '3D 1H-13C NOESY' . . . 34393 1 6 '3D 1H-15N NOESY' . . . 34393 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 3 3 ARG HA H 1 4.352 0.000 . . . . . . A 413 ARG HA . 34393 1 2 . 1 . 1 3 3 ARG HB2 H 1 1.796 0.000 . . . . . . A 413 ARG HB2 . 34393 1 3 . 1 . 1 3 3 ARG HB3 H 1 1.720 0.000 . . . . . . A 413 ARG HB3 . 34393 1 4 . 1 . 1 3 3 ARG HG2 H 1 1.629 0.000 . . . . . . A 413 ARG HG2 . 34393 1 5 . 1 . 1 3 3 ARG HG3 H 1 1.629 0.000 . . . . . . A 413 ARG HG3 . 34393 1 6 . 1 . 1 3 3 ARG HD2 H 1 3.138 0.000 . . . . . . A 413 ARG HD2 . 34393 1 7 . 1 . 1 3 3 ARG HD3 H 1 3.138 0.000 . . . . . . A 413 ARG HD3 . 34393 1 8 . 1 . 1 3 3 ARG C C 13 176.022 0.001 . . . . . . A 413 ARG C . 34393 1 9 . 1 . 1 3 3 ARG CA C 13 56.081 0.035 . . . . . . A 413 ARG CA . 34393 1 10 . 1 . 1 3 3 ARG CB C 13 30.873 0.082 . . . . . . A 413 ARG CB . 34393 1 11 . 1 . 1 3 3 ARG CG C 13 27.188 0.000 . . . . . . A 413 ARG CG . 34393 1 12 . 1 . 1 4 4 SER H H 1 8.282 0.003 . . . . . . A 414 SER H . 34393 1 13 . 1 . 1 4 4 SER HA H 1 4.415 0.000 . . . . . . A 414 SER HA . 34393 1 14 . 1 . 1 4 4 SER HB2 H 1 3.768 0.000 . . . . . . A 414 SER HB2 . 34393 1 15 . 1 . 1 4 4 SER HB3 H 1 3.768 0.000 . . . . . . A 414 SER HB3 . 34393 1 16 . 1 . 1 4 4 SER C C 13 173.857 0.044 . . . . . . A 414 SER C . 34393 1 17 . 1 . 1 4 4 SER CA C 13 58.307 0.044 . . . . . . A 414 SER CA . 34393 1 18 . 1 . 1 4 4 SER CB C 13 63.994 0.019 . . . . . . A 414 SER CB . 34393 1 19 . 1 . 1 4 4 SER N N 15 116.667 0.023 . . . . . . A 414 SER N . 34393 1 20 . 1 . 1 5 5 PHE H H 1 8.310 0.001 . . . . . . A 415 PHE H . 34393 1 21 . 1 . 1 5 5 PHE HA H 1 4.635 0.000 . . . . . . A 415 PHE HA . 34393 1 22 . 1 . 1 5 5 PHE HB2 H 1 3.087 0.000 . . . . . . A 415 PHE HB2 . 34393 1 23 . 1 . 1 5 5 PHE HB3 H 1 2.990 0.000 . . . . . . A 415 PHE HB3 . 34393 1 24 . 1 . 1 5 5 PHE HD1 H 1 7.201 0.000 . . . . . . A 415 PHE HD1 . 34393 1 25 . 1 . 1 5 5 PHE HD2 H 1 7.201 0.000 . . . . . . A 415 PHE HD2 . 34393 1 26 . 1 . 1 5 5 PHE HE1 H 1 7.251 0.000 . . . . . . A 415 PHE HE1 . 34393 1 27 . 1 . 1 5 5 PHE HE2 H 1 7.251 0.000 . . . . . . A 415 PHE HE2 . 34393 1 28 . 1 . 1 5 5 PHE C C 13 174.841 0.006 . . . . . . A 415 PHE C . 34393 1 29 . 1 . 1 5 5 PHE CA C 13 57.763 0.040 . . . . . . A 415 PHE CA . 34393 1 30 . 1 . 1 5 5 PHE CB C 13 40.027 0.017 . . . . . . A 415 PHE CB . 34393 1 31 . 1 . 1 5 5 PHE CD1 C 13 132.012 0.000 . . . . . . A 415 PHE CD1 . 34393 1 32 . 1 . 1 5 5 PHE CE1 C 13 131.132 0.000 . . . . . . A 415 PHE CE1 . 34393 1 33 . 1 . 1 5 5 PHE N N 15 121.745 0.006 . . . . . . A 415 PHE N . 34393 1 34 . 1 . 1 6 6 SER H H 1 8.149 0.000 . . . . . . A 416 SER H . 34393 1 35 . 1 . 1 6 6 SER HA H 1 4.517 0.000 . . . . . . A 416 SER HA . 34393 1 36 . 1 . 1 6 6 SER HB2 H 1 3.900 0.000 . . . . . . A 416 SER HB2 . 34393 1 37 . 1 . 1 6 6 SER HB3 H 1 3.793 0.000 . . . . . . A 416 SER HB3 . 34393 1 38 . 1 . 1 6 6 SER C C 13 174.421 0.006 . . . . . . A 416 SER C . 34393 1 39 . 1 . 1 6 6 SER CA C 13 57.524 0.061 . . . . . . A 416 SER CA . 34393 1 40 . 1 . 1 6 6 SER CB C 13 64.617 0.010 . . . . . . A 416 SER CB . 34393 1 41 . 1 . 1 6 6 SER N N 15 116.866 0.004 . . . . . . A 416 SER N . 34393 1 42 . 1 . 1 7 7 LEU H H 1 8.669 0.001 . . . . . . A 417 LEU H . 34393 1 43 . 1 . 1 7 7 LEU HA H 1 4.210 0.001 . . . . . . A 417 LEU HA . 34393 1 44 . 1 . 1 7 7 LEU HB2 H 1 1.669 0.000 . . . . . . A 417 LEU HB2 . 34393 1 45 . 1 . 1 7 7 LEU HB3 H 1 1.639 0.000 . . . . . . A 417 LEU HB3 . 34393 1 46 . 1 . 1 7 7 LEU HG H 1 1.701 0.000 . . . . . . A 417 LEU HG . 34393 1 47 . 1 . 1 7 7 LEU HD11 H 1 0.954 0.000 . . . . . . A 417 LEU HD11 . 34393 1 48 . 1 . 1 7 7 LEU HD12 H 1 0.954 0.000 . . . . . . A 417 LEU HD12 . 34393 1 49 . 1 . 1 7 7 LEU HD13 H 1 0.954 0.000 . . . . . . A 417 LEU HD13 . 34393 1 50 . 1 . 1 7 7 LEU HD21 H 1 0.881 0.000 . . . . . . A 417 LEU HD21 . 34393 1 51 . 1 . 1 7 7 LEU HD22 H 1 0.881 0.000 . . . . . . A 417 LEU HD22 . 34393 1 52 . 1 . 1 7 7 LEU HD23 H 1 0.881 0.000 . . . . . . A 417 LEU HD23 . 34393 1 53 . 1 . 1 7 7 LEU C C 13 178.092 0.003 . . . . . . A 417 LEU C . 34393 1 54 . 1 . 1 7 7 LEU CA C 13 56.350 0.069 . . . . . . A 417 LEU CA . 34393 1 55 . 1 . 1 7 7 LEU CB C 13 42.055 0.038 . . . . . . A 417 LEU CB . 34393 1 56 . 1 . 1 7 7 LEU CG C 13 27.090 0.000 . . . . . . A 417 LEU CG . 34393 1 57 . 1 . 1 7 7 LEU CD1 C 13 25.076 0.000 . . . . . . A 417 LEU CD1 . 34393 1 58 . 1 . 1 7 7 LEU CD2 C 13 23.847 0.000 . . . . . . A 417 LEU CD2 . 34393 1 59 . 1 . 1 7 7 LEU N N 15 123.924 0.003 . . . . . . A 417 LEU N . 34393 1 60 . 1 . 1 8 8 GLY H H 1 8.465 0.001 . . . . . . A 418 GLY H . 34393 1 61 . 1 . 1 8 8 GLY HA2 H 1 3.915 0.000 . . . . . . A 418 GLY HA2 . 34393 1 62 . 1 . 1 8 8 GLY HA3 H 1 3.856 0.000 . . . . . . A 418 GLY HA3 . 34393 1 63 . 1 . 1 8 8 GLY C C 13 174.593 0.003 . . . . . . A 418 GLY C . 34393 1 64 . 1 . 1 8 8 GLY CA C 13 45.893 0.011 . . . . . . A 418 GLY CA . 34393 1 65 . 1 . 1 8 8 GLY N N 15 107.838 0.005 . . . . . . A 418 GLY N . 34393 1 66 . 1 . 1 9 9 GLU H H 1 8.035 0.001 . . . . . . A 419 GLU H . 34393 1 67 . 1 . 1 9 9 GLU HA H 1 4.283 0.000 . . . . . . A 419 GLU HA . 34393 1 68 . 1 . 1 9 9 GLU HB2 H 1 2.070 0.000 . . . . . . A 419 GLU HB2 . 34393 1 69 . 1 . 1 9 9 GLU HB3 H 1 2.002 0.000 . . . . . . A 419 GLU HB3 . 34393 1 70 . 1 . 1 9 9 GLU HG2 H 1 2.258 0.000 . . . . . . A 419 GLU HG2 . 34393 1 71 . 1 . 1 9 9 GLU HG3 H 1 2.258 0.000 . . . . . . A 419 GLU HG3 . 34393 1 72 . 1 . 1 9 9 GLU C C 13 177.520 0.000 . . . . . . A 419 GLU C . 34393 1 73 . 1 . 1 9 9 GLU CA C 13 57.235 0.018 . . . . . . A 419 GLU CA . 34393 1 74 . 1 . 1 9 9 GLU CB C 13 30.341 0.031 . . . . . . A 419 GLU CB . 34393 1 75 . 1 . 1 9 9 GLU CG C 13 36.625 0.000 . . . . . . A 419 GLU CG . 34393 1 76 . 1 . 1 9 9 GLU N N 15 120.228 0.004 . . . . . . A 419 GLU N . 34393 1 77 . 1 . 1 10 10 VAL H H 1 8.057 0.001 . . . . . . A 420 VAL H . 34393 1 78 . 1 . 1 10 10 VAL HA H 1 4.021 0.001 . . . . . . A 420 VAL HA . 34393 1 79 . 1 . 1 10 10 VAL HB H 1 2.167 0.000 . . . . . . A 420 VAL HB . 34393 1 80 . 1 . 1 10 10 VAL HG11 H 1 0.981 0.000 . . . . . . A 420 VAL HG11 . 34393 1 81 . 1 . 1 10 10 VAL HG12 H 1 0.981 0.000 . . . . . . A 420 VAL HG12 . 34393 1 82 . 1 . 1 10 10 VAL HG13 H 1 0.981 0.000 . . . . . . A 420 VAL HG13 . 34393 1 83 . 1 . 1 10 10 VAL HG21 H 1 0.937 0.000 . . . . . . A 420 VAL HG21 . 34393 1 84 . 1 . 1 10 10 VAL HG22 H 1 0.937 0.000 . . . . . . A 420 VAL HG22 . 34393 1 85 . 1 . 1 10 10 VAL HG23 H 1 0.937 0.000 . . . . . . A 420 VAL HG23 . 34393 1 86 . 1 . 1 10 10 VAL C C 13 176.413 0.001 . . . . . . A 420 VAL C . 34393 1 87 . 1 . 1 10 10 VAL CA C 13 63.648 0.020 . . . . . . A 420 VAL CA . 34393 1 88 . 1 . 1 10 10 VAL CB C 13 32.279 0.048 . . . . . . A 420 VAL CB . 34393 1 89 . 1 . 1 10 10 VAL CG1 C 13 21.344 0.000 . . . . . . A 420 VAL CG1 . 34393 1 90 . 1 . 1 10 10 VAL CG2 C 13 21.502 0.000 . . . . . . A 420 VAL CG2 . 34393 1 91 . 1 . 1 10 10 VAL N N 15 119.604 0.029 . . . . . . A 420 VAL N . 34393 1 92 . 1 . 1 11 11 SER H H 1 8.261 0.001 . . . . . . A 421 SER H . 34393 1 93 . 1 . 1 11 11 SER HA H 1 4.294 0.000 . . . . . . A 421 SER HA . 34393 1 94 . 1 . 1 11 11 SER HB2 H 1 3.898 0.000 . . . . . . A 421 SER HB2 . 34393 1 95 . 1 . 1 11 11 SER HB3 H 1 3.825 0.000 . . . . . . A 421 SER HB3 . 34393 1 96 . 1 . 1 11 11 SER C C 13 174.886 0.000 . . . . . . A 421 SER C . 34393 1 97 . 1 . 1 11 11 SER CA C 13 59.692 0.008 . . . . . . A 421 SER CA . 34393 1 98 . 1 . 1 11 11 SER CB C 13 63.696 0.004 . . . . . . A 421 SER CB . 34393 1 99 . 1 . 1 11 11 SER N N 15 117.120 0.011 . . . . . . A 421 SER N . 34393 1 100 . 1 . 1 12 12 ASP H H 1 8.130 0.001 . . . . . . A 422 ASP H . 34393 1 101 . 1 . 1 12 12 ASP HA H 1 4.569 0.000 . . . . . . A 422 ASP HA . 34393 1 102 . 1 . 1 12 12 ASP HB2 H 1 2.702 0.000 . . . . . . A 422 ASP HB2 . 34393 1 103 . 1 . 1 12 12 ASP HB3 H 1 2.702 0.000 . . . . . . A 422 ASP HB3 . 34393 1 104 . 1 . 1 12 12 ASP C C 13 177.114 0.001 . . . . . . A 422 ASP C . 34393 1 105 . 1 . 1 12 12 ASP CA C 13 55.217 0.002 . . . . . . A 422 ASP CA . 34393 1 106 . 1 . 1 12 12 ASP CB C 13 41.022 0.012 . . . . . . A 422 ASP CB . 34393 1 107 . 1 . 1 12 12 ASP N N 15 121.691 0.011 . . . . . . A 422 ASP N . 34393 1 108 . 1 . 1 13 13 MET H H 1 8.181 0.001 . . . . . . A 423 MET H . 34393 1 109 . 1 . 1 13 13 MET HA H 1 4.310 0.000 . . . . . . A 423 MET HA . 34393 1 110 . 1 . 1 13 13 MET HB2 H 1 2.090 0.000 . . . . . . A 423 MET HB2 . 34393 1 111 . 1 . 1 13 13 MET HB3 H 1 2.090 0.000 . . . . . . A 423 MET HB3 . 34393 1 112 . 1 . 1 13 13 MET HG2 H 1 2.684 0.000 . . . . . . A 423 MET HG2 . 34393 1 113 . 1 . 1 13 13 MET HG3 H 1 2.554 0.000 . . . . . . A 423 MET HG3 . 34393 1 114 . 1 . 1 13 13 MET HE1 H 1 2.055 0.000 . . . . . . A 423 MET HE1 . 34393 1 115 . 1 . 1 13 13 MET HE2 H 1 2.055 0.000 . . . . . . A 423 MET HE2 . 34393 1 116 . 1 . 1 13 13 MET HE3 H 1 2.055 0.000 . . . . . . A 423 MET HE3 . 34393 1 117 . 1 . 1 13 13 MET C C 13 176.991 0.002 . . . . . . A 423 MET C . 34393 1 118 . 1 . 1 13 13 MET CA C 13 56.914 0.012 . . . . . . A 423 MET CA . 34393 1 119 . 1 . 1 13 13 MET CB C 13 32.779 0.008 . . . . . . A 423 MET CB . 34393 1 120 . 1 . 1 13 13 MET CG C 13 32.355 0.045 . . . . . . A 423 MET CG . 34393 1 121 . 1 . 1 13 13 MET CE C 13 17.086 0.000 . . . . . . A 423 MET CE . 34393 1 122 . 1 . 1 13 13 MET N N 15 119.943 0.019 . . . . . . A 423 MET N . 34393 1 123 . 1 . 1 14 14 ALA H H 1 8.236 0.001 . . . . . . A 424 ALA H . 34393 1 124 . 1 . 1 14 14 ALA HA H 1 4.189 0.000 . . . . . . A 424 ALA HA . 34393 1 125 . 1 . 1 14 14 ALA HB1 H 1 1.422 0.000 . . . . . . A 424 ALA HB1 . 34393 1 126 . 1 . 1 14 14 ALA HB2 H 1 1.422 0.000 . . . . . . A 424 ALA HB2 . 34393 1 127 . 1 . 1 14 14 ALA HB3 H 1 1.422 0.000 . . . . . . A 424 ALA HB3 . 34393 1 128 . 1 . 1 14 14 ALA C C 13 178.242 0.003 . . . . . . A 424 ALA C . 34393 1 129 . 1 . 1 14 14 ALA CA C 13 53.658 0.020 . . . . . . A 424 ALA CA . 34393 1 130 . 1 . 1 14 14 ALA CB C 13 18.744 0.005 . . . . . . A 424 ALA CB . 34393 1 131 . 1 . 1 14 14 ALA N N 15 122.938 0.009 . . . . . . A 424 ALA N . 34393 1 132 . 1 . 1 15 15 ALA H H 1 8.055 0.001 . . . . . . A 425 ALA H . 34393 1 133 . 1 . 1 15 15 ALA HA H 1 4.217 0.000 . . . . . . A 425 ALA HA . 34393 1 134 . 1 . 1 15 15 ALA HB1 H 1 1.448 0.000 . . . . . . A 425 ALA HB1 . 34393 1 135 . 1 . 1 15 15 ALA HB2 H 1 1.448 0.000 . . . . . . A 425 ALA HB2 . 34393 1 136 . 1 . 1 15 15 ALA HB3 H 1 1.448 0.000 . . . . . . A 425 ALA HB3 . 34393 1 137 . 1 . 1 15 15 ALA C C 13 178.833 0.004 . . . . . . A 425 ALA C . 34393 1 138 . 1 . 1 15 15 ALA CA C 13 53.638 0.020 . . . . . . A 425 ALA CA . 34393 1 139 . 1 . 1 15 15 ALA CB C 13 18.790 0.006 . . . . . . A 425 ALA CB . 34393 1 140 . 1 . 1 15 15 ALA N N 15 121.549 0.011 . . . . . . A 425 ALA N . 34393 1 141 . 1 . 1 16 16 VAL H H 1 7.841 0.001 . . . . . . A 426 VAL H . 34393 1 142 . 1 . 1 16 16 VAL HA H 1 3.904 0.000 . . . . . . A 426 VAL HA . 34393 1 143 . 1 . 1 16 16 VAL HB H 1 2.144 0.000 . . . . . . A 426 VAL HB . 34393 1 144 . 1 . 1 16 16 VAL HG11 H 1 1.001 0.000 . . . . . . A 426 VAL HG11 . 34393 1 145 . 1 . 1 16 16 VAL HG12 H 1 1.001 0.000 . . . . . . A 426 VAL HG12 . 34393 1 146 . 1 . 1 16 16 VAL HG13 H 1 1.001 0.000 . . . . . . A 426 VAL HG13 . 34393 1 147 . 1 . 1 16 16 VAL HG21 H 1 0.943 0.000 . . . . . . A 426 VAL HG21 . 34393 1 148 . 1 . 1 16 16 VAL HG22 H 1 0.943 0.000 . . . . . . A 426 VAL HG22 . 34393 1 149 . 1 . 1 16 16 VAL HG23 H 1 0.943 0.000 . . . . . . A 426 VAL HG23 . 34393 1 150 . 1 . 1 16 16 VAL C C 13 177.097 0.006 . . . . . . A 426 VAL C . 34393 1 151 . 1 . 1 16 16 VAL CA C 13 64.102 0.025 . . . . . . A 426 VAL CA . 34393 1 152 . 1 . 1 16 16 VAL CB C 13 32.406 0.042 . . . . . . A 426 VAL CB . 34393 1 153 . 1 . 1 16 16 VAL CG1 C 13 21.669 0.000 . . . . . . A 426 VAL CG1 . 34393 1 154 . 1 . 1 16 16 VAL CG2 C 13 21.374 0.000 . . . . . . A 426 VAL CG2 . 34393 1 155 . 1 . 1 16 16 VAL N N 15 118.709 0.004 . . . . . . A 426 VAL N . 34393 1 156 . 1 . 1 17 17 GLU H H 1 8.287 0.001 . . . . . . A 427 GLU H . 34393 1 157 . 1 . 1 17 17 GLU HA H 1 4.213 0.000 . . . . . . A 427 GLU HA . 34393 1 158 . 1 . 1 17 17 GLU HB2 H 1 2.064 0.000 . . . . . . A 427 GLU HB2 . 34393 1 159 . 1 . 1 17 17 GLU HB3 H 1 2.002 0.000 . . . . . . A 427 GLU HB3 . 34393 1 160 . 1 . 1 17 17 GLU HG2 H 1 2.268 0.000 . . . . . . A 427 GLU HG2 . 34393 1 161 . 1 . 1 17 17 GLU HG3 H 1 2.268 0.000 . . . . . . A 427 GLU HG3 . 34393 1 162 . 1 . 1 17 17 GLU C C 13 177.641 0.003 . . . . . . A 427 GLU C . 34393 1 163 . 1 . 1 17 17 GLU CA C 13 57.597 0.034 . . . . . . A 427 GLU CA . 34393 1 164 . 1 . 1 17 17 GLU CB C 13 29.822 0.021 . . . . . . A 427 GLU CB . 34393 1 165 . 1 . 1 17 17 GLU CG C 13 36.167 0.000 . . . . . . A 427 GLU CG . 34393 1 166 . 1 . 1 17 17 GLU N N 15 122.196 0.012 . . . . . . A 427 GLU N . 34393 1 167 . 1 . 1 18 18 ALA H H 1 8.300 0.001 . . . . . . A 428 ALA H . 34393 1 168 . 1 . 1 18 18 ALA HA H 1 4.166 0.000 . . . . . . A 428 ALA HA . 34393 1 169 . 1 . 1 18 18 ALA HB1 H 1 1.446 0.000 . . . . . . A 428 ALA HB1 . 34393 1 170 . 1 . 1 18 18 ALA HB2 H 1 1.446 0.000 . . . . . . A 428 ALA HB2 . 34393 1 171 . 1 . 1 18 18 ALA HB3 H 1 1.446 0.000 . . . . . . A 428 ALA HB3 . 34393 1 172 . 1 . 1 18 18 ALA C C 13 178.870 0.006 . . . . . . A 428 ALA C . 34393 1 173 . 1 . 1 18 18 ALA CA C 13 54.012 0.004 . . . . . . A 428 ALA CA . 34393 1 174 . 1 . 1 18 18 ALA CB C 13 18.681 0.003 . . . . . . A 428 ALA CB . 34393 1 175 . 1 . 1 18 18 ALA N N 15 122.989 0.006 . . . . . . A 428 ALA N . 34393 1 176 . 1 . 1 19 19 ALA H H 1 8.115 0.001 . . . . . . A 429 ALA H . 34393 1 177 . 1 . 1 19 19 ALA HA H 1 4.190 0.000 . . . . . . A 429 ALA HA . 34393 1 178 . 1 . 1 19 19 ALA HB1 H 1 1.461 0.000 . . . . . . A 429 ALA HB1 . 34393 1 179 . 1 . 1 19 19 ALA HB2 H 1 1.461 0.000 . . . . . . A 429 ALA HB2 . 34393 1 180 . 1 . 1 19 19 ALA HB3 H 1 1.461 0.000 . . . . . . A 429 ALA HB3 . 34393 1 181 . 1 . 1 19 19 ALA C C 13 179.043 0.004 . . . . . . A 429 ALA C . 34393 1 182 . 1 . 1 19 19 ALA CA C 13 54.083 0.003 . . . . . . A 429 ALA CA . 34393 1 183 . 1 . 1 19 19 ALA CB C 13 18.729 0.009 . . . . . . A 429 ALA CB . 34393 1 184 . 1 . 1 19 19 ALA N N 15 121.363 0.005 . . . . . . A 429 ALA N . 34393 1 185 . 1 . 1 20 20 GLU H H 1 8.210 0.001 . . . . . . A 430 GLU H . 34393 1 186 . 1 . 1 20 20 GLU HA H 1 4.157 0.000 . . . . . . A 430 GLU HA . 34393 1 187 . 1 . 1 20 20 GLU HB2 H 1 2.087 0.000 . . . . . . A 430 GLU HB2 . 34393 1 188 . 1 . 1 20 20 GLU HB3 H 1 2.069 0.000 . . . . . . A 430 GLU HB3 . 34393 1 189 . 1 . 1 20 20 GLU HG2 H 1 2.340 0.000 . . . . . . A 430 GLU HG2 . 34393 1 190 . 1 . 1 20 20 GLU HG3 H 1 2.241 0.000 . . . . . . A 430 GLU HG3 . 34393 1 191 . 1 . 1 20 20 GLU C C 13 177.944 0.005 . . . . . . A 430 GLU C . 34393 1 192 . 1 . 1 20 20 GLU CA C 13 57.989 0.006 . . . . . . A 430 GLU CA . 34393 1 193 . 1 . 1 20 20 GLU CB C 13 29.754 0.028 . . . . . . A 430 GLU CB . 34393 1 194 . 1 . 1 20 20 GLU CG C 13 36.281 0.017 . . . . . . A 430 GLU CG . 34393 1 195 . 1 . 1 20 20 GLU N N 15 118.309 0.006 . . . . . . A 430 GLU N . 34393 1 196 . 1 . 1 21 21 LEU H H 1 8.022 0.001 . . . . . . A 431 LEU H . 34393 1 197 . 1 . 1 21 21 LEU HA H 1 4.224 0.000 . . . . . . A 431 LEU HA . 34393 1 198 . 1 . 1 21 21 LEU HB2 H 1 1.774 0.000 . . . . . . A 431 LEU HB2 . 34393 1 199 . 1 . 1 21 21 LEU HB3 H 1 1.635 0.000 . . . . . . A 431 LEU HB3 . 34393 1 200 . 1 . 1 21 21 LEU HG H 1 1.701 0.000 . . . . . . A 431 LEU HG . 34393 1 201 . 1 . 1 21 21 LEU HD11 H 1 0.953 0.000 . . . . . . A 431 LEU HD11 . 34393 1 202 . 1 . 1 21 21 LEU HD12 H 1 0.953 0.000 . . . . . . A 431 LEU HD12 . 34393 1 203 . 1 . 1 21 21 LEU HD13 H 1 0.953 0.000 . . . . . . A 431 LEU HD13 . 34393 1 204 . 1 . 1 21 21 LEU HD21 H 1 0.902 0.000 . . . . . . A 431 LEU HD21 . 34393 1 205 . 1 . 1 21 21 LEU HD22 H 1 0.902 0.000 . . . . . . A 431 LEU HD22 . 34393 1 206 . 1 . 1 21 21 LEU HD23 H 1 0.902 0.000 . . . . . . A 431 LEU HD23 . 34393 1 207 . 1 . 1 21 21 LEU C C 13 178.195 0.003 . . . . . . A 431 LEU C . 34393 1 208 . 1 . 1 21 21 LEU CA C 13 56.408 0.082 . . . . . . A 431 LEU CA . 34393 1 209 . 1 . 1 21 21 LEU CB C 13 41.998 0.028 . . . . . . A 431 LEU CB . 34393 1 210 . 1 . 1 21 21 LEU CG C 13 27.079 0.000 . . . . . . A 431 LEU CG . 34393 1 211 . 1 . 1 21 21 LEU CD1 C 13 25.124 0.000 . . . . . . A 431 LEU CD1 . 34393 1 212 . 1 . 1 21 21 LEU CD2 C 13 24.019 0.000 . . . . . . A 431 LEU CD2 . 34393 1 213 . 1 . 1 21 21 LEU N N 15 121.296 0.010 . . . . . . A 431 LEU N . 34393 1 214 . 1 . 1 22 22 GLU H H 1 8.189 0.001 . . . . . . A 432 GLU H . 34393 1 215 . 1 . 1 22 22 GLU HA H 1 4.184 0.000 . . . . . . A 432 GLU HA . 34393 1 216 . 1 . 1 22 22 GLU HB2 H 1 2.065 0.000 . . . . . . A 432 GLU HB2 . 34393 1 217 . 1 . 1 22 22 GLU HB3 H 1 2.047 0.000 . . . . . . A 432 GLU HB3 . 34393 1 218 . 1 . 1 22 22 GLU HG2 H 1 2.281 0.000 . . . . . . A 432 GLU HG2 . 34393 1 219 . 1 . 1 22 22 GLU HG3 H 1 2.281 0.000 . . . . . . A 432 GLU HG3 . 34393 1 220 . 1 . 1 22 22 GLU C C 13 177.971 0.003 . . . . . . A 432 GLU C . 34393 1 221 . 1 . 1 22 22 GLU CA C 13 58.084 0.012 . . . . . . A 432 GLU CA . 34393 1 222 . 1 . 1 22 22 GLU CB C 13 29.614 0.026 . . . . . . A 432 GLU CB . 34393 1 223 . 1 . 1 22 22 GLU CG C 13 36.035 0.000 . . . . . . A 432 GLU CG . 34393 1 224 . 1 . 1 22 22 GLU N N 15 120.531 0.006 . . . . . . A 432 GLU N . 34393 1 225 . 1 . 1 23 23 MET H H 1 8.357 0.003 . . . . . . A 433 MET H . 34393 1 226 . 1 . 1 23 23 MET HA H 1 4.329 0.000 . . . . . . A 433 MET HA . 34393 1 227 . 1 . 1 23 23 MET HB2 H 1 2.115 0.000 . . . . . . A 433 MET HB2 . 34393 1 228 . 1 . 1 23 23 MET HB3 H 1 2.115 0.000 . . . . . . A 433 MET HB3 . 34393 1 229 . 1 . 1 23 23 MET HG2 H 1 2.640 0.000 . . . . . . A 433 MET HG2 . 34393 1 230 . 1 . 1 23 23 MET HG3 H 1 2.554 0.000 . . . . . . A 433 MET HG3 . 34393 1 231 . 1 . 1 23 23 MET HE1 H 1 2.055 0.000 . . . . . . A 433 MET HE1 . 34393 1 232 . 1 . 1 23 23 MET HE2 H 1 2.055 0.000 . . . . . . A 433 MET HE2 . 34393 1 233 . 1 . 1 23 23 MET HE3 H 1 2.055 0.000 . . . . . . A 433 MET HE3 . 34393 1 234 . 1 . 1 23 23 MET C C 13 177.475 0.004 . . . . . . A 433 MET C . 34393 1 235 . 1 . 1 23 23 MET CA C 13 57.477 0.033 . . . . . . A 433 MET CA . 34393 1 236 . 1 . 1 23 23 MET CB C 13 32.422 0.000 . . . . . . A 433 MET CB . 34393 1 237 . 1 . 1 23 23 MET CG C 13 32.367 0.054 . . . . . . A 433 MET CG . 34393 1 238 . 1 . 1 23 23 MET CE C 13 17.086 0.000 . . . . . . A 433 MET CE . 34393 1 239 . 1 . 1 23 23 MET N N 15 119.203 0.010 . . . . . . A 433 MET N . 34393 1 240 . 1 . 1 24 24 THR H H 1 8.005 0.005 . . . . . . A 434 THR H . 34393 1 241 . 1 . 1 24 24 THR HA H 1 4.081 0.000 . . . . . . A 434 THR HA . 34393 1 242 . 1 . 1 24 24 THR HB H 1 4.270 0.000 . . . . . . A 434 THR HB . 34393 1 243 . 1 . 1 24 24 THR HG21 H 1 1.211 0.000 . . . . . . A 434 THR HG21 . 34393 1 244 . 1 . 1 24 24 THR HG22 H 1 1.211 0.000 . . . . . . A 434 THR HG22 . 34393 1 245 . 1 . 1 24 24 THR HG23 H 1 1.211 0.000 . . . . . . A 434 THR HG23 . 34393 1 246 . 1 . 1 24 24 THR C C 13 175.377 0.000 . . . . . . A 434 THR C . 34393 1 247 . 1 . 1 24 24 THR CA C 13 64.392 0.060 . . . . . . A 434 THR CA . 34393 1 248 . 1 . 1 24 24 THR CB C 13 69.182 0.024 . . . . . . A 434 THR CB . 34393 1 249 . 1 . 1 24 24 THR CG2 C 13 21.928 0.000 . . . . . . A 434 THR CG2 . 34393 1 250 . 1 . 1 24 24 THR N N 15 113.912 0.007 . . . . . . A 434 THR N . 34393 1 251 . 1 . 1 25 25 ARG H H 1 8.095 0.001 . . . . . . A 435 ARG H . 34393 1 252 . 1 . 1 25 25 ARG HA H 1 4.104 0.000 . . . . . . A 435 ARG HA . 34393 1 253 . 1 . 1 25 25 ARG HB2 H 1 1.897 0.000 . . . . . . A 435 ARG HB2 . 34393 1 254 . 1 . 1 25 25 ARG HB3 H 1 1.875 0.000 . . . . . . A 435 ARG HB3 . 34393 1 255 . 1 . 1 25 25 ARG HG2 H 1 1.683 0.008 . . . . . . A 435 ARG HG2 . 34393 1 256 . 1 . 1 25 25 ARG HG3 H 1 1.596 0.000 . . . . . . A 435 ARG HG3 . 34393 1 257 . 1 . 1 25 25 ARG HD2 H 1 3.179 0.000 . . . . . . A 435 ARG HD2 . 34393 1 258 . 1 . 1 25 25 ARG HD3 H 1 3.179 0.000 . . . . . . A 435 ARG HD3 . 34393 1 259 . 1 . 1 25 25 ARG C C 13 177.233 0.007 . . . . . . A 435 ARG C . 34393 1 260 . 1 . 1 25 25 ARG CA C 13 58.089 0.025 . . . . . . A 435 ARG CA . 34393 1 261 . 1 . 1 25 25 ARG CB C 13 30.420 0.049 . . . . . . A 435 ARG CB . 34393 1 262 . 1 . 1 25 25 ARG CG C 13 27.492 0.073 . . . . . . A 435 ARG CG . 34393 1 263 . 1 . 1 25 25 ARG CD C 13 43.472 0.000 . . . . . . A 435 ARG CD . 34393 1 264 . 1 . 1 25 25 ARG N N 15 121.550 0.018 . . . . . . A 435 ARG N . 34393 1 265 . 1 . 1 26 26 GLN H H 1 8.131 0.001 . . . . . . A 436 GLN H . 34393 1 266 . 1 . 1 26 26 GLN HA H 1 4.189 0.000 . . . . . . A 436 GLN HA . 34393 1 267 . 1 . 1 26 26 GLN HB2 H 1 2.101 0.000 . . . . . . A 436 GLN HB2 . 34393 1 268 . 1 . 1 26 26 GLN HB3 H 1 2.083 0.000 . . . . . . A 436 GLN HB3 . 34393 1 269 . 1 . 1 26 26 GLN HG2 H 1 2.420 0.000 . . . . . . A 436 GLN HG2 . 34393 1 270 . 1 . 1 26 26 GLN HG3 H 1 2.420 0.000 . . . . . . A 436 GLN HG3 . 34393 1 271 . 1 . 1 26 26 GLN HE21 H 1 7.613 0.000 . . . . . . A 436 GLN HE21 . 34393 1 272 . 1 . 1 26 26 GLN HE22 H 1 6.807 0.000 . . . . . . A 436 GLN HE22 . 34393 1 273 . 1 . 1 26 26 GLN C C 13 177.164 0.012 . . . . . . A 436 GLN C . 34393 1 274 . 1 . 1 26 26 GLN CA C 13 57.309 0.030 . . . . . . A 436 GLN CA . 34393 1 275 . 1 . 1 26 26 GLN CB C 13 28.906 0.008 . . . . . . A 436 GLN CB . 34393 1 276 . 1 . 1 26 26 GLN CG C 13 33.885 0.000 . . . . . . A 436 GLN CG . 34393 1 277 . 1 . 1 26 26 GLN N N 15 118.916 0.014 . . . . . . A 436 GLN N . 34393 1 278 . 1 . 1 26 26 GLN NE2 N 15 111.956 0.008 . . . . . . A 436 GLN NE2 . 34393 1 279 . 1 . 1 27 27 VAL H H 1 8.011 0.001 . . . . . . A 437 VAL H . 34393 1 280 . 1 . 1 27 27 VAL HA H 1 3.945 0.002 . . . . . . A 437 VAL HA . 34393 1 281 . 1 . 1 27 27 VAL HB H 1 2.106 0.000 . . . . . . A 437 VAL HB . 34393 1 282 . 1 . 1 27 27 VAL HG11 H 1 0.899 0.000 . . . . . . A 437 VAL HG11 . 34393 1 283 . 1 . 1 27 27 VAL HG12 H 1 0.899 0.000 . . . . . . A 437 VAL HG12 . 34393 1 284 . 1 . 1 27 27 VAL HG13 H 1 0.899 0.000 . . . . . . A 437 VAL HG13 . 34393 1 285 . 1 . 1 27 27 VAL HG21 H 1 0.980 0.001 . . . . . . A 437 VAL HG21 . 34393 1 286 . 1 . 1 27 27 VAL HG22 H 1 0.980 0.001 . . . . . . A 437 VAL HG22 . 34393 1 287 . 1 . 1 27 27 VAL HG23 H 1 0.980 0.001 . . . . . . A 437 VAL HG23 . 34393 1 288 . 1 . 1 27 27 VAL C C 13 176.587 0.000 . . . . . . A 437 VAL C . 34393 1 289 . 1 . 1 27 27 VAL CA C 13 63.886 0.052 . . . . . . A 437 VAL CA . 34393 1 290 . 1 . 1 27 27 VAL CB C 13 32.306 0.038 . . . . . . A 437 VAL CB . 34393 1 291 . 1 . 1 27 27 VAL CG1 C 13 21.353 0.000 . . . . . . A 437 VAL CG1 . 34393 1 292 . 1 . 1 27 27 VAL CG2 C 13 21.467 0.000 . . . . . . A 437 VAL CG2 . 34393 1 293 . 1 . 1 27 27 VAL N N 15 119.741 0.017 . . . . . . A 437 VAL N . 34393 1 294 . 1 . 1 28 28 LEU H H 1 8.073 0.002 . . . . . . A 438 LEU H . 34393 1 295 . 1 . 1 28 28 LEU HA H 1 4.229 0.000 . . . . . . A 438 LEU HA . 34393 1 296 . 1 . 1 28 28 LEU HB2 H 1 1.648 0.000 . . . . . . A 438 LEU HB2 . 34393 1 297 . 1 . 1 28 28 LEU HB3 H 1 1.447 0.000 . . . . . . A 438 LEU HB3 . 34393 1 298 . 1 . 1 28 28 LEU HG H 1 1.620 0.000 . . . . . . A 438 LEU HG . 34393 1 299 . 1 . 1 28 28 LEU HD11 H 1 0.866 0.000 . . . . . . A 438 LEU HD11 . 34393 1 300 . 1 . 1 28 28 LEU HD12 H 1 0.866 0.000 . . . . . . A 438 LEU HD12 . 34393 1 301 . 1 . 1 28 28 LEU HD13 H 1 0.866 0.000 . . . . . . A 438 LEU HD13 . 34393 1 302 . 1 . 1 28 28 LEU HD21 H 1 0.818 0.000 . . . . . . A 438 LEU HD21 . 34393 1 303 . 1 . 1 28 28 LEU HD22 H 1 0.818 0.000 . . . . . . A 438 LEU HD22 . 34393 1 304 . 1 . 1 28 28 LEU HD23 H 1 0.818 0.000 . . . . . . A 438 LEU HD23 . 34393 1 305 . 1 . 1 28 28 LEU C C 13 177.426 0.000 . . . . . . A 438 LEU C . 34393 1 306 . 1 . 1 28 28 LEU CA C 13 55.874 0.057 . . . . . . A 438 LEU CA . 34393 1 307 . 1 . 1 28 28 LEU CB C 13 42.124 0.076 . . . . . . A 438 LEU CB . 34393 1 308 . 1 . 1 28 28 LEU CG C 13 26.963 0.000 . . . . . . A 438 LEU CG . 34393 1 309 . 1 . 1 28 28 LEU CD1 C 13 25.232 0.000 . . . . . . A 438 LEU CD1 . 34393 1 310 . 1 . 1 28 28 LEU CD2 C 13 23.468 0.002 . . . . . . A 438 LEU CD2 . 34393 1 311 . 1 . 1 28 28 LEU N N 15 122.041 0.018 . . . . . . A 438 LEU N . 34393 1 312 . 1 . 1 29 29 HIS H H 1 8.070 0.001 . . . . . . A 439 HIS H . 34393 1 313 . 1 . 1 29 29 HIS HA H 1 4.548 0.000 . . . . . . A 439 HIS HA . 34393 1 314 . 1 . 1 29 29 HIS HB2 H 1 3.166 0.000 . . . . . . A 439 HIS HB2 . 34393 1 315 . 1 . 1 29 29 HIS HB3 H 1 3.082 0.000 . . . . . . A 439 HIS HB3 . 34393 1 316 . 1 . 1 29 29 HIS HD2 H 1 7.008 0.000 . . . . . . A 439 HIS HD2 . 34393 1 317 . 1 . 1 29 29 HIS C C 13 175.575 0.000 . . . . . . A 439 HIS C . 34393 1 318 . 1 . 1 29 29 HIS CA C 13 56.561 0.018 . . . . . . A 439 HIS CA . 34393 1 319 . 1 . 1 29 29 HIS CB C 13 30.645 0.010 . . . . . . A 439 HIS CB . 34393 1 320 . 1 . 1 29 29 HIS CD2 C 13 119.952 0.000 . . . . . . A 439 HIS CD2 . 34393 1 321 . 1 . 1 29 29 HIS N N 15 118.722 0.014 . . . . . . A 439 HIS N . 34393 1 322 . 1 . 1 30 30 ALA H H 1 8.152 0.001 . . . . . . A 440 ALA H . 34393 1 323 . 1 . 1 30 30 ALA HA H 1 4.251 0.000 . . . . . . A 440 ALA HA . 34393 1 324 . 1 . 1 30 30 ALA HB1 H 1 1.406 0.000 . . . . . . A 440 ALA HB1 . 34393 1 325 . 1 . 1 30 30 ALA HB2 H 1 1.406 0.000 . . . . . . A 440 ALA HB2 . 34393 1 326 . 1 . 1 30 30 ALA HB3 H 1 1.406 0.000 . . . . . . A 440 ALA HB3 . 34393 1 327 . 1 . 1 30 30 ALA C C 13 178.325 0.001 . . . . . . A 440 ALA C . 34393 1 328 . 1 . 1 30 30 ALA CA C 13 53.193 0.007 . . . . . . A 440 ALA CA . 34393 1 329 . 1 . 1 30 30 ALA CB C 13 19.097 0.009 . . . . . . A 440 ALA CB . 34393 1 330 . 1 . 1 30 30 ALA N N 15 124.162 0.005 . . . . . . A 440 ALA N . 34393 1 331 . 1 . 1 31 31 GLY H H 1 8.344 0.000 . . . . . . A 441 GLY H . 34393 1 332 . 1 . 1 31 31 GLY HA2 H 1 3.919 0.000 . . . . . . A 441 GLY HA2 . 34393 1 333 . 1 . 1 31 31 GLY HA3 H 1 3.892 0.000 . . . . . . A 441 GLY HA3 . 34393 1 334 . 1 . 1 31 31 GLY C C 13 173.758 0.002 . . . . . . A 441 GLY C . 34393 1 335 . 1 . 1 31 31 GLY CA C 13 45.313 0.004 . . . . . . A 441 GLY CA . 34393 1 336 . 1 . 1 31 31 GLY N N 15 107.452 0.003 . . . . . . A 441 GLY N . 34393 1 337 . 1 . 1 32 32 ALA H H 1 8.008 0.001 . . . . . . A 442 ALA H . 34393 1 338 . 1 . 1 32 32 ALA HA H 1 4.307 0.000 . . . . . . A 442 ALA HA . 34393 1 339 . 1 . 1 32 32 ALA HB1 H 1 1.363 0.000 . . . . . . A 442 ALA HB1 . 34393 1 340 . 1 . 1 32 32 ALA HB2 H 1 1.363 0.000 . . . . . . A 442 ALA HB2 . 34393 1 341 . 1 . 1 32 32 ALA HB3 H 1 1.363 0.000 . . . . . . A 442 ALA HB3 . 34393 1 342 . 1 . 1 32 32 ALA C C 13 177.605 0.002 . . . . . . A 442 ALA C . 34393 1 343 . 1 . 1 32 32 ALA CA C 13 52.401 0.022 . . . . . . A 442 ALA CA . 34393 1 344 . 1 . 1 32 32 ALA CB C 13 19.461 0.002 . . . . . . A 442 ALA CB . 34393 1 345 . 1 . 1 32 32 ALA N N 15 123.254 0.003 . . . . . . A 442 ALA N . 34393 1 346 . 1 . 1 33 33 ARG H H 1 8.291 0.000 . . . . . . A 443 ARG H . 34393 1 347 . 1 . 1 33 33 ARG HA H 1 4.305 0.000 . . . . . . A 443 ARG HA . 34393 1 348 . 1 . 1 33 33 ARG HB2 H 1 1.840 0.000 . . . . . . A 443 ARG HB2 . 34393 1 349 . 1 . 1 33 33 ARG HB3 H 1 1.747 0.000 . . . . . . A 443 ARG HB3 . 34393 1 350 . 1 . 1 33 33 ARG HG2 H 1 1.579 0.000 . . . . . . A 443 ARG HG2 . 34393 1 351 . 1 . 1 33 33 ARG HG3 H 1 1.579 0.000 . . . . . . A 443 ARG HG3 . 34393 1 352 . 1 . 1 33 33 ARG HD2 H 1 3.179 0.000 . . . . . . A 443 ARG HD2 . 34393 1 353 . 1 . 1 33 33 ARG HD3 H 1 3.179 0.000 . . . . . . A 443 ARG HD3 . 34393 1 354 . 1 . 1 33 33 ARG C C 13 176.348 0.001 . . . . . . A 443 ARG C . 34393 1 355 . 1 . 1 33 33 ARG CA C 13 56.047 0.029 . . . . . . A 443 ARG CA . 34393 1 356 . 1 . 1 33 33 ARG CB C 13 30.985 0.023 . . . . . . A 443 ARG CB . 34393 1 357 . 1 . 1 33 33 ARG CG C 13 27.122 0.000 . . . . . . A 443 ARG CG . 34393 1 358 . 1 . 1 33 33 ARG N N 15 120.318 0.004 . . . . . . A 443 ARG N . 34393 1 359 . 1 . 1 34 34 GLN H H 1 8.527 0.000 . . . . . . A 444 GLN H . 34393 1 360 . 1 . 1 34 34 GLN HA H 1 4.320 0.000 . . . . . . A 444 GLN HA . 34393 1 361 . 1 . 1 34 34 GLN HB2 H 1 2.093 0.000 . . . . . . A 444 GLN HB2 . 34393 1 362 . 1 . 1 34 34 GLN HB3 H 1 1.956 0.000 . . . . . . A 444 GLN HB3 . 34393 1 363 . 1 . 1 34 34 GLN HG2 H 1 2.336 0.000 . . . . . . A 444 GLN HG2 . 34393 1 364 . 1 . 1 34 34 GLN HG3 H 1 2.336 0.000 . . . . . . A 444 GLN HG3 . 34393 1 365 . 1 . 1 34 34 GLN C C 13 175.664 0.000 . . . . . . A 444 GLN C . 34393 1 366 . 1 . 1 34 34 GLN CA C 13 55.911 0.037 . . . . . . A 444 GLN CA . 34393 1 367 . 1 . 1 34 34 GLN CB C 13 29.528 0.010 . . . . . . A 444 GLN CB . 34393 1 368 . 1 . 1 34 34 GLN CG C 13 33.808 0.000 . . . . . . A 444 GLN CG . 34393 1 369 . 1 . 1 34 34 GLN N N 15 122.196 0.004 . . . . . . A 444 GLN N . 34393 1 370 . 1 . 1 35 35 ASP H H 1 8.413 0.000 . . . . . . A 445 ASP H . 34393 1 371 . 1 . 1 35 35 ASP HA H 1 4.564 0.000 . . . . . . A 445 ASP HA . 34393 1 372 . 1 . 1 35 35 ASP HB2 H 1 2.686 0.000 . . . . . . A 445 ASP HB2 . 34393 1 373 . 1 . 1 35 35 ASP HB3 H 1 2.592 0.000 . . . . . . A 445 ASP HB3 . 34393 1 374 . 1 . 1 35 35 ASP C C 13 175.961 0.001 . . . . . . A 445 ASP C . 34393 1 375 . 1 . 1 35 35 ASP CA C 13 54.548 0.016 . . . . . . A 445 ASP CA . 34393 1 376 . 1 . 1 35 35 ASP CB C 13 41.267 0.010 . . . . . . A 445 ASP CB . 34393 1 377 . 1 . 1 35 35 ASP N N 15 121.515 0.002 . . . . . . A 445 ASP N . 34393 1 378 . 1 . 1 36 36 ASP H H 1 8.233 0.000 . . . . . . A 446 ASP H . 34393 1 379 . 1 . 1 36 36 ASP HA H 1 4.544 0.000 . . . . . . A 446 ASP HA . 34393 1 380 . 1 . 1 36 36 ASP HB2 H 1 2.652 0.000 . . . . . . A 446 ASP HB2 . 34393 1 381 . 1 . 1 36 36 ASP HB3 H 1 2.611 0.000 . . . . . . A 446 ASP HB3 . 34393 1 382 . 1 . 1 36 36 ASP C C 13 175.882 0.006 . . . . . . A 446 ASP C . 34393 1 383 . 1 . 1 36 36 ASP CA C 13 54.434 0.018 . . . . . . A 446 ASP CA . 34393 1 384 . 1 . 1 36 36 ASP CB C 13 41.120 0.025 . . . . . . A 446 ASP CB . 34393 1 385 . 1 . 1 36 36 ASP N N 15 120.532 0.004 . . . . . . A 446 ASP N . 34393 1 386 . 1 . 1 37 37 ALA H H 1 8.107 0.000 . . . . . . A 447 ALA H . 34393 1 387 . 1 . 1 37 37 ALA HA H 1 4.277 0.000 . . . . . . A 447 ALA HA . 34393 1 388 . 1 . 1 37 37 ALA HB1 H 1 1.359 0.000 . . . . . . A 447 ALA HB1 . 34393 1 389 . 1 . 1 37 37 ALA HB2 H 1 1.359 0.000 . . . . . . A 447 ALA HB2 . 34393 1 390 . 1 . 1 37 37 ALA HB3 H 1 1.359 0.000 . . . . . . A 447 ALA HB3 . 34393 1 391 . 1 . 1 37 37 ALA C C 13 177.528 0.001 . . . . . . A 447 ALA C . 34393 1 392 . 1 . 1 37 37 ALA CA C 13 52.407 0.022 . . . . . . A 447 ALA CA . 34393 1 393 . 1 . 1 37 37 ALA CB C 13 19.547 0.002 . . . . . . A 447 ALA CB . 34393 1 394 . 1 . 1 37 37 ALA N N 15 123.539 0.003 . . . . . . A 447 ALA N . 34393 1 395 . 1 . 1 38 38 GLU H H 1 8.275 0.000 . . . . . . A 448 GLU H . 34393 1 396 . 1 . 1 38 38 GLU HA H 1 4.544 0.000 . . . . . . A 448 GLU HA . 34393 1 397 . 1 . 1 38 38 GLU HB2 H 1 2.024 0.000 . . . . . . A 448 GLU HB2 . 34393 1 398 . 1 . 1 38 38 GLU HB3 H 1 1.904 0.000 . . . . . . A 448 GLU HB3 . 34393 1 399 . 1 . 1 38 38 GLU HG2 H 1 2.264 0.000 . . . . . . A 448 GLU HG2 . 34393 1 400 . 1 . 1 38 38 GLU HG3 H 1 2.264 0.000 . . . . . . A 448 GLU HG3 . 34393 1 401 . 1 . 1 38 38 GLU C C 13 174.667 0.000 . . . . . . A 448 GLU C . 34393 1 402 . 1 . 1 38 38 GLU CA C 13 54.340 0.006 . . . . . . A 448 GLU CA . 34393 1 403 . 1 . 1 38 38 GLU CB C 13 29.835 0.019 . . . . . . A 448 GLU CB . 34393 1 404 . 1 . 1 38 38 GLU CG C 13 36.023 0.000 . . . . . . A 448 GLU CG . 34393 1 405 . 1 . 1 38 38 GLU N N 15 121.430 0.003 . . . . . . A 448 GLU N . 34393 1 406 . 1 . 1 39 39 PRO HA H 1 4.387 0.000 . . . . . . A 449 PRO HA . 34393 1 407 . 1 . 1 39 39 PRO HB2 H 1 2.266 0.000 . . . . . . A 449 PRO HB2 . 34393 1 408 . 1 . 1 39 39 PRO HB3 H 1 1.924 0.000 . . . . . . A 449 PRO HB3 . 34393 1 409 . 1 . 1 39 39 PRO HG2 H 1 2.043 0.000 . . . . . . A 449 PRO HG2 . 34393 1 410 . 1 . 1 39 39 PRO HG3 H 1 1.997 0.000 . . . . . . A 449 PRO HG3 . 34393 1 411 . 1 . 1 39 39 PRO HD2 H 1 3.795 0.000 . . . . . . A 449 PRO HD2 . 34393 1 412 . 1 . 1 39 39 PRO HD3 H 1 3.702 0.000 . . . . . . A 449 PRO HD3 . 34393 1 413 . 1 . 1 39 39 PRO C C 13 177.758 0.001 . . . . . . A 449 PRO C . 34393 1 414 . 1 . 1 39 39 PRO CA C 13 63.691 0.013 . . . . . . A 449 PRO CA . 34393 1 415 . 1 . 1 39 39 PRO CB C 13 32.097 0.018 . . . . . . A 449 PRO CB . 34393 1 416 . 1 . 1 39 39 PRO CG C 13 27.425 0.019 . . . . . . A 449 PRO CG . 34393 1 417 . 1 . 1 39 39 PRO CD C 13 50.639 0.006 . . . . . . A 449 PRO CD . 34393 1 418 . 1 . 1 40 40 GLY H H 1 8.498 0.000 . . . . . . A 450 GLY H . 34393 1 419 . 1 . 1 40 40 GLY HA2 H 1 3.949 0.000 . . . . . . A 450 GLY HA2 . 34393 1 420 . 1 . 1 40 40 GLY HA3 H 1 3.949 0.000 . . . . . . A 450 GLY HA3 . 34393 1 421 . 1 . 1 40 40 GLY C C 13 174.398 0.000 . . . . . . A 450 GLY C . 34393 1 422 . 1 . 1 40 40 GLY CA C 13 45.366 0.006 . . . . . . A 450 GLY CA . 34393 1 423 . 1 . 1 40 40 GLY N N 15 108.970 0.001 . . . . . . A 450 GLY N . 34393 1 424 . 1 . 1 41 41 VAL H H 1 7.996 0.000 . . . . . . A 451 VAL H . 34393 1 425 . 1 . 1 41 41 VAL HA H 1 4.148 0.001 . . . . . . A 451 VAL HA . 34393 1 426 . 1 . 1 41 41 VAL HB H 1 2.108 0.000 . . . . . . A 451 VAL HB . 34393 1 427 . 1 . 1 41 41 VAL HG11 H 1 0.921 0.000 . . . . . . A 451 VAL HG11 . 34393 1 428 . 1 . 1 41 41 VAL HG12 H 1 0.921 0.000 . . . . . . A 451 VAL HG12 . 34393 1 429 . 1 . 1 41 41 VAL HG13 H 1 0.921 0.000 . . . . . . A 451 VAL HG13 . 34393 1 430 . 1 . 1 41 41 VAL HG21 H 1 0.916 0.002 . . . . . . A 451 VAL HG21 . 34393 1 431 . 1 . 1 41 41 VAL HG22 H 1 0.916 0.002 . . . . . . A 451 VAL HG22 . 34393 1 432 . 1 . 1 41 41 VAL HG23 H 1 0.916 0.002 . . . . . . A 451 VAL HG23 . 34393 1 433 . 1 . 1 41 41 VAL C C 13 176.489 0.001 . . . . . . A 451 VAL C . 34393 1 434 . 1 . 1 41 41 VAL CA C 13 62.529 0.020 . . . . . . A 451 VAL CA . 34393 1 435 . 1 . 1 41 41 VAL CB C 13 32.662 0.039 . . . . . . A 451 VAL CB . 34393 1 436 . 1 . 1 41 41 VAL CG1 C 13 21.111 0.019 . . . . . . A 451 VAL CG1 . 34393 1 437 . 1 . 1 41 41 VAL CG2 C 13 20.724 0.120 . . . . . . A 451 VAL CG2 . 34393 1 438 . 1 . 1 41 41 VAL N N 15 119.109 0.001 . . . . . . A 451 VAL N . 34393 1 439 . 1 . 1 42 42 SER H H 1 8.447 0.001 . . . . . . A 452 SER H . 34393 1 440 . 1 . 1 42 42 SER HA H 1 4.436 0.001 . . . . . . A 452 SER HA . 34393 1 441 . 1 . 1 42 42 SER HB2 H 1 3.869 0.000 . . . . . . A 452 SER HB2 . 34393 1 442 . 1 . 1 42 42 SER HB3 H 1 3.869 0.000 . . . . . . A 452 SER HB3 . 34393 1 443 . 1 . 1 42 42 SER C C 13 175.234 0.013 . . . . . . A 452 SER C . 34393 1 444 . 1 . 1 42 42 SER CA C 13 58.705 0.026 . . . . . . A 452 SER CA . 34393 1 445 . 1 . 1 42 42 SER CB C 13 61.324 2.583 . . . . . . A 452 SER CB . 34393 1 446 . 1 . 1 42 42 SER N N 15 118.963 0.001 . . . . . . A 452 SER N . 34393 1 447 . 1 . 1 43 43 GLY H H 1 8.443 0.001 . . . . . . A 453 GLY H . 34393 1 448 . 1 . 1 43 43 GLY HA2 H 1 3.964 0.000 . . . . . . A 453 GLY HA2 . 34393 1 449 . 1 . 1 43 43 GLY HA3 H 1 3.964 0.000 . . . . . . A 453 GLY HA3 . 34393 1 450 . 1 . 1 43 43 GLY C C 13 174.242 0.000 . . . . . . A 453 GLY C . 34393 1 451 . 1 . 1 43 43 GLY CA C 13 45.499 0.015 . . . . . . A 453 GLY CA . 34393 1 452 . 1 . 1 43 43 GLY N N 15 111.028 0.002 . . . . . . A 453 GLY N . 34393 1 453 . 1 . 1 44 44 ALA H H 1 8.220 0.000 . . . . . . A 454 ALA H . 34393 1 454 . 1 . 1 44 44 ALA HA H 1 4.284 0.000 . . . . . . A 454 ALA HA . 34393 1 455 . 1 . 1 44 44 ALA HB1 H 1 1.389 0.000 . . . . . . A 454 ALA HB1 . 34393 1 456 . 1 . 1 44 44 ALA HB2 H 1 1.389 0.000 . . . . . . A 454 ALA HB2 . 34393 1 457 . 1 . 1 44 44 ALA HB3 H 1 1.389 0.000 . . . . . . A 454 ALA HB3 . 34393 1 458 . 1 . 1 44 44 ALA C C 13 178.093 0.002 . . . . . . A 454 ALA C . 34393 1 459 . 1 . 1 44 44 ALA CA C 13 53.045 0.009 . . . . . . A 454 ALA CA . 34393 1 460 . 1 . 1 44 44 ALA CB C 13 19.307 0.005 . . . . . . A 454 ALA CB . 34393 1 461 . 1 . 1 44 44 ALA N N 15 123.665 0.003 . . . . . . A 454 ALA N . 34393 1 462 . 1 . 1 45 45 SER H H 1 8.276 0.001 . . . . . . A 455 SER H . 34393 1 463 . 1 . 1 45 45 SER HA H 1 4.311 0.000 . . . . . . A 455 SER HA . 34393 1 464 . 1 . 1 45 45 SER HB2 H 1 3.836 0.000 . . . . . . A 455 SER HB2 . 34393 1 465 . 1 . 1 45 45 SER HB3 H 1 3.804 0.000 . . . . . . A 455 SER HB3 . 34393 1 466 . 1 . 1 45 45 SER C C 13 174.529 0.005 . . . . . . A 455 SER C . 34393 1 467 . 1 . 1 45 45 SER CA C 13 58.882 0.024 . . . . . . A 455 SER CA . 34393 1 468 . 1 . 1 45 45 SER CB C 13 63.731 0.011 . . . . . . A 455 SER CB . 34393 1 469 . 1 . 1 45 45 SER N N 15 114.439 0.006 . . . . . . A 455 SER N . 34393 1 470 . 1 . 1 46 46 ALA H H 1 8.163 0.000 . . . . . . A 456 ALA H . 34393 1 471 . 1 . 1 46 46 ALA HA H 1 4.264 0.000 . . . . . . A 456 ALA HA . 34393 1 472 . 1 . 1 46 46 ALA HB1 H 1 1.280 0.000 . . . . . . A 456 ALA HB1 . 34393 1 473 . 1 . 1 46 46 ALA HB2 H 1 1.280 0.000 . . . . . . A 456 ALA HB2 . 34393 1 474 . 1 . 1 46 46 ALA HB3 H 1 1.280 0.000 . . . . . . A 456 ALA HB3 . 34393 1 475 . 1 . 1 46 46 ALA C C 13 177.611 0.003 . . . . . . A 456 ALA C . 34393 1 476 . 1 . 1 46 46 ALA CA C 13 52.735 0.006 . . . . . . A 456 ALA CA . 34393 1 477 . 1 . 1 46 46 ALA CB C 13 19.304 0.007 . . . . . . A 456 ALA CB . 34393 1 478 . 1 . 1 46 46 ALA N N 15 125.208 0.005 . . . . . . A 456 ALA N . 34393 1 479 . 1 . 1 47 47 HIS H H 1 8.205 0.001 . . . . . . A 457 HIS H . 34393 1 480 . 1 . 1 47 47 HIS HA H 1 4.533 0.000 . . . . . . A 457 HIS HA . 34393 1 481 . 1 . 1 47 47 HIS HB2 H 1 3.092 0.000 . . . . . . A 457 HIS HB2 . 34393 1 482 . 1 . 1 47 47 HIS HB3 H 1 3.031 0.000 . . . . . . A 457 HIS HB3 . 34393 1 483 . 1 . 1 47 47 HIS HD2 H 1 6.901 0.000 . . . . . . A 457 HIS HD2 . 34393 1 484 . 1 . 1 47 47 HIS C C 13 176.588 0.006 . . . . . . A 457 HIS C . 34393 1 485 . 1 . 1 47 47 HIS CA C 13 57.153 0.039 . . . . . . A 457 HIS CA . 34393 1 486 . 1 . 1 47 47 HIS CB C 13 31.230 0.025 . . . . . . A 457 HIS CB . 34393 1 487 . 1 . 1 47 47 HIS CD2 C 13 119.871 0.000 . . . . . . A 457 HIS CD2 . 34393 1 488 . 1 . 1 47 47 HIS N N 15 118.968 0.008 . . . . . . A 457 HIS N . 34393 1 489 . 1 . 1 48 48 TRP H H 1 8.274 0.002 . . . . . . A 458 TRP H . 34393 1 490 . 1 . 1 48 48 TRP HA H 1 4.370 0.000 . . . . . . A 458 TRP HA . 34393 1 491 . 1 . 1 48 48 TRP HB2 H 1 3.286 0.000 . . . . . . A 458 TRP HB2 . 34393 1 492 . 1 . 1 48 48 TRP HB3 H 1 3.286 0.000 . . . . . . A 458 TRP HB3 . 34393 1 493 . 1 . 1 48 48 TRP HD1 H 1 7.278 0.000 . . . . . . A 458 TRP HD1 . 34393 1 494 . 1 . 1 48 48 TRP HE1 H 1 10.666 0.000 . . . . . . A 458 TRP HE1 . 34393 1 495 . 1 . 1 48 48 TRP HE3 H 1 7.432 0.000 . . . . . . A 458 TRP HE3 . 34393 1 496 . 1 . 1 48 48 TRP HZ2 H 1 7.483 0.000 . . . . . . A 458 TRP HZ2 . 34393 1 497 . 1 . 1 48 48 TRP HZ3 H 1 6.942 0.000 . . . . . . A 458 TRP HZ3 . 34393 1 498 . 1 . 1 48 48 TRP HH2 H 1 7.070 0.000 . . . . . . A 458 TRP HH2 . 34393 1 499 . 1 . 1 48 48 TRP C C 13 177.607 0.006 . . . . . . A 458 TRP C . 34393 1 500 . 1 . 1 48 48 TRP CA C 13 59.427 0.014 . . . . . . A 458 TRP CA . 34393 1 501 . 1 . 1 48 48 TRP CB C 13 29.174 0.031 . . . . . . A 458 TRP CB . 34393 1 502 . 1 . 1 48 48 TRP CD1 C 13 127.452 0.000 . . . . . . A 458 TRP CD1 . 34393 1 503 . 1 . 1 48 48 TRP CE3 C 13 120.804 0.000 . . . . . . A 458 TRP CE3 . 34393 1 504 . 1 . 1 48 48 TRP CZ2 C 13 114.609 0.000 . . . . . . A 458 TRP CZ2 . 34393 1 505 . 1 . 1 48 48 TRP CZ3 C 13 120.971 0.000 . . . . . . A 458 TRP CZ3 . 34393 1 506 . 1 . 1 48 48 TRP CH2 C 13 123.888 0.000 . . . . . . A 458 TRP CH2 . 34393 1 507 . 1 . 1 48 48 TRP N N 15 122.946 0.008 . . . . . . A 458 TRP N . 34393 1 508 . 1 . 1 48 48 TRP NE1 N 15 130.685 0.000 . . . . . . A 458 TRP NE1 . 34393 1 509 . 1 . 1 49 49 GLY H H 1 9.081 0.001 . . . . . . A 459 GLY H . 34393 1 510 . 1 . 1 49 49 GLY HA2 H 1 3.660 0.000 . . . . . . A 459 GLY HA2 . 34393 1 511 . 1 . 1 49 49 GLY HA3 H 1 3.660 0.000 . . . . . . A 459 GLY HA3 . 34393 1 512 . 1 . 1 49 49 GLY C C 13 174.830 0.005 . . . . . . A 459 GLY C . 34393 1 513 . 1 . 1 49 49 GLY CA C 13 46.725 0.004 . . . . . . A 459 GLY CA . 34393 1 514 . 1 . 1 49 49 GLY N N 15 110.651 0.007 . . . . . . A 459 GLY N . 34393 1 515 . 1 . 1 50 50 GLN H H 1 7.920 0.001 . . . . . . A 460 GLN H . 34393 1 516 . 1 . 1 50 50 GLN HA H 1 4.058 0.000 . . . . . . A 460 GLN HA . 34393 1 517 . 1 . 1 50 50 GLN HB2 H 1 2.123 0.000 . . . . . . A 460 GLN HB2 . 34393 1 518 . 1 . 1 50 50 GLN HB3 H 1 2.087 0.000 . . . . . . A 460 GLN HB3 . 34393 1 519 . 1 . 1 50 50 GLN HG2 H 1 2.344 0.000 . . . . . . A 460 GLN HG2 . 34393 1 520 . 1 . 1 50 50 GLN HG3 H 1 2.344 0.000 . . . . . . A 460 GLN HG3 . 34393 1 521 . 1 . 1 50 50 GLN HE21 H 1 7.557 0.000 . . . . . . A 460 GLN HE21 . 34393 1 522 . 1 . 1 50 50 GLN HE22 H 1 6.827 0.000 . . . . . . A 460 GLN HE22 . 34393 1 523 . 1 . 1 50 50 GLN C C 13 177.978 0.004 . . . . . . A 460 GLN C . 34393 1 524 . 1 . 1 50 50 GLN CA C 13 58.343 0.009 . . . . . . A 460 GLN CA . 34393 1 525 . 1 . 1 50 50 GLN CB C 13 28.665 0.020 . . . . . . A 460 GLN CB . 34393 1 526 . 1 . 1 50 50 GLN CG C 13 33.967 0.000 . . . . . . A 460 GLN CG . 34393 1 527 . 1 . 1 50 50 GLN N N 15 119.702 0.007 . . . . . . A 460 GLN N . 34393 1 528 . 1 . 1 50 50 GLN NE2 N 15 111.701 0.001 . . . . . . A 460 GLN NE2 . 34393 1 529 . 1 . 1 51 51 ARG H H 1 8.088 0.001 . . . . . . A 461 ARG H . 34393 1 530 . 1 . 1 51 51 ARG HA H 1 4.154 0.000 . . . . . . A 461 ARG HA . 34393 1 531 . 1 . 1 51 51 ARG HB2 H 1 1.889 0.000 . . . . . . A 461 ARG HB2 . 34393 1 532 . 1 . 1 51 51 ARG HB3 H 1 1.889 0.000 . . . . . . A 461 ARG HB3 . 34393 1 533 . 1 . 1 51 51 ARG HG2 H 1 1.697 0.000 . . . . . . A 461 ARG HG2 . 34393 1 534 . 1 . 1 51 51 ARG HG3 H 1 1.623 0.000 . . . . . . A 461 ARG HG3 . 34393 1 535 . 1 . 1 51 51 ARG HD2 H 1 3.194 0.000 . . . . . . A 461 ARG HD2 . 34393 1 536 . 1 . 1 51 51 ARG HD3 H 1 3.111 0.000 . . . . . . A 461 ARG HD3 . 34393 1 537 . 1 . 1 51 51 ARG C C 13 178.110 0.009 . . . . . . A 461 ARG C . 34393 1 538 . 1 . 1 51 51 ARG CA C 13 58.159 0.079 . . . . . . A 461 ARG CA . 34393 1 539 . 1 . 1 51 51 ARG CB C 13 30.173 0.046 . . . . . . A 461 ARG CB . 34393 1 540 . 1 . 1 51 51 ARG CG C 13 27.382 0.014 . . . . . . A 461 ARG CG . 34393 1 541 . 1 . 1 51 51 ARG CD C 13 43.416 0.052 . . . . . . A 461 ARG CD . 34393 1 542 . 1 . 1 51 51 ARG N N 15 118.683 0.012 . . . . . . A 461 ARG N . 34393 1 543 . 1 . 1 52 52 ALA H H 1 8.242 0.003 . . . . . . A 462 ALA H . 34393 1 544 . 1 . 1 52 52 ALA HA H 1 4.126 0.000 . . . . . . A 462 ALA HA . 34393 1 545 . 1 . 1 52 52 ALA HB1 H 1 1.448 0.000 . . . . . . A 462 ALA HB1 . 34393 1 546 . 1 . 1 52 52 ALA HB2 H 1 1.448 0.000 . . . . . . A 462 ALA HB2 . 34393 1 547 . 1 . 1 52 52 ALA HB3 H 1 1.448 0.000 . . . . . . A 462 ALA HB3 . 34393 1 548 . 1 . 1 52 52 ALA C C 13 178.346 0.005 . . . . . . A 462 ALA C . 34393 1 549 . 1 . 1 52 52 ALA CA C 13 54.510 0.010 . . . . . . A 462 ALA CA . 34393 1 550 . 1 . 1 52 52 ALA CB C 13 18.682 0.019 . . . . . . A 462 ALA CB . 34393 1 551 . 1 . 1 52 52 ALA N N 15 121.787 0.039 . . . . . . A 462 ALA N . 34393 1 552 . 1 . 1 53 53 LEU H H 1 7.820 0.002 . . . . . . A 463 LEU H . 34393 1 553 . 1 . 1 53 53 LEU HA H 1 4.164 0.000 . . . . . . A 463 LEU HA . 34393 1 554 . 1 . 1 53 53 LEU HB2 H 1 1.747 0.000 . . . . . . A 463 LEU HB2 . 34393 1 555 . 1 . 1 53 53 LEU HB3 H 1 1.651 0.000 . . . . . . A 463 LEU HB3 . 34393 1 556 . 1 . 1 53 53 LEU HG H 1 1.732 0.000 . . . . . . A 463 LEU HG . 34393 1 557 . 1 . 1 53 53 LEU HD11 H 1 0.899 0.000 . . . . . . A 463 LEU HD11 . 34393 1 558 . 1 . 1 53 53 LEU HD12 H 1 0.899 0.000 . . . . . . A 463 LEU HD12 . 34393 1 559 . 1 . 1 53 53 LEU HD13 H 1 0.899 0.000 . . . . . . A 463 LEU HD13 . 34393 1 560 . 1 . 1 53 53 LEU HD21 H 1 0.862 0.000 . . . . . . A 463 LEU HD21 . 34393 1 561 . 1 . 1 53 53 LEU HD22 H 1 0.862 0.000 . . . . . . A 463 LEU HD22 . 34393 1 562 . 1 . 1 53 53 LEU HD23 H 1 0.862 0.000 . . . . . . A 463 LEU HD23 . 34393 1 563 . 1 . 1 53 53 LEU C C 13 177.726 0.004 . . . . . . A 463 LEU C . 34393 1 564 . 1 . 1 53 53 LEU CA C 13 56.515 0.017 . . . . . . A 463 LEU CA . 34393 1 565 . 1 . 1 53 53 LEU CB C 13 41.991 0.021 . . . . . . A 463 LEU CB . 34393 1 566 . 1 . 1 53 53 LEU CG C 13 27.075 0.000 . . . . . . A 463 LEU CG . 34393 1 567 . 1 . 1 53 53 LEU CD1 C 13 25.160 0.000 . . . . . . A 463 LEU CD1 . 34393 1 568 . 1 . 1 53 53 LEU CD2 C 13 23.999 0.000 . . . . . . A 463 LEU CD2 . 34393 1 569 . 1 . 1 53 53 LEU N N 15 117.231 0.006 . . . . . . A 463 LEU N . 34393 1 570 . 1 . 1 54 54 GLN H H 1 7.939 0.002 . . . . . . A 464 GLN H . 34393 1 571 . 1 . 1 54 54 GLN HA H 1 4.261 0.000 . . . . . . A 464 GLN HA . 34393 1 572 . 1 . 1 54 54 GLN HB2 H 1 2.131 0.000 . . . . . . A 464 GLN HB2 . 34393 1 573 . 1 . 1 54 54 GLN HB3 H 1 2.131 0.000 . . . . . . A 464 GLN HB3 . 34393 1 574 . 1 . 1 54 54 GLN HG2 H 1 2.494 0.000 . . . . . . A 464 GLN HG2 . 34393 1 575 . 1 . 1 54 54 GLN HG3 H 1 2.399 0.000 . . . . . . A 464 GLN HG3 . 34393 1 576 . 1 . 1 54 54 GLN HE21 H 1 7.550 0.000 . . . . . . A 464 GLN HE21 . 34393 1 577 . 1 . 1 54 54 GLN HE22 H 1 6.822 0.000 . . . . . . A 464 GLN HE22 . 34393 1 578 . 1 . 1 54 54 GLN C C 13 178.174 0.008 . . . . . . A 464 GLN C . 34393 1 579 . 1 . 1 54 54 GLN CA C 13 57.306 0.028 . . . . . . A 464 GLN CA . 34393 1 580 . 1 . 1 54 54 GLN CB C 13 29.116 0.008 . . . . . . A 464 GLN CB . 34393 1 581 . 1 . 1 54 54 GLN CG C 13 34.082 0.079 . . . . . . A 464 GLN CG . 34393 1 582 . 1 . 1 54 54 GLN N N 15 117.594 0.017 . . . . . . A 464 GLN N . 34393 1 583 . 1 . 1 54 54 GLN NE2 N 15 111.288 0.018 . . . . . . A 464 GLN NE2 . 34393 1 584 . 1 . 1 55 55 GLY H H 1 8.487 0.003 . . . . . . A 465 GLY H . 34393 1 585 . 1 . 1 55 55 GLY HA2 H 1 3.917 0.000 . . . . . . A 465 GLY HA2 . 34393 1 586 . 1 . 1 55 55 GLY HA3 H 1 3.867 0.000 . . . . . . A 465 GLY HA3 . 34393 1 587 . 1 . 1 55 55 GLY C C 13 174.618 0.004 . . . . . . A 465 GLY C . 34393 1 588 . 1 . 1 55 55 GLY CA C 13 46.642 0.113 . . . . . . A 465 GLY CA . 34393 1 589 . 1 . 1 55 55 GLY N N 15 108.880 0.011 . . . . . . A 465 GLY N . 34393 1 590 . 1 . 1 56 56 ALA H H 1 8.404 0.001 . . . . . . A 466 ALA H . 34393 1 591 . 1 . 1 56 56 ALA HA H 1 4.094 0.000 . . . . . . A 466 ALA HA . 34393 1 592 . 1 . 1 56 56 ALA HB1 H 1 1.485 0.000 . . . . . . A 466 ALA HB1 . 34393 1 593 . 1 . 1 56 56 ALA HB2 H 1 1.485 0.000 . . . . . . A 466 ALA HB2 . 34393 1 594 . 1 . 1 56 56 ALA HB3 H 1 1.485 0.000 . . . . . . A 466 ALA HB3 . 34393 1 595 . 1 . 1 56 56 ALA C C 13 179.766 0.001 . . . . . . A 466 ALA C . 34393 1 596 . 1 . 1 56 56 ALA CA C 13 54.849 0.024 . . . . . . A 466 ALA CA . 34393 1 597 . 1 . 1 56 56 ALA CB C 13 18.559 0.025 . . . . . . A 466 ALA CB . 34393 1 598 . 1 . 1 56 56 ALA N N 15 122.966 0.011 . . . . . . A 466 ALA N . 34393 1 599 . 1 . 1 57 57 GLN H H 1 8.265 0.003 . . . . . . A 467 GLN H . 34393 1 600 . 1 . 1 57 57 GLN HA H 1 4.152 0.000 . . . . . . A 467 GLN HA . 34393 1 601 . 1 . 1 57 57 GLN HB2 H 1 2.223 0.004 . . . . . . A 467 GLN HB2 . 34393 1 602 . 1 . 1 57 57 GLN HB3 H 1 2.131 0.000 . . . . . . A 467 GLN HB3 . 34393 1 603 . 1 . 1 57 57 GLN HG2 H 1 2.528 0.000 . . . . . . A 467 GLN HG2 . 34393 1 604 . 1 . 1 57 57 GLN HG3 H 1 2.422 0.000 . . . . . . A 467 GLN HG3 . 34393 1 605 . 1 . 1 57 57 GLN HE21 H 1 7.550 0.000 . . . . . . A 467 GLN HE21 . 34393 1 606 . 1 . 1 57 57 GLN HE22 H 1 6.867 0.000 . . . . . . A 467 GLN HE22 . 34393 1 607 . 1 . 1 57 57 GLN C C 13 178.002 0.003 . . . . . . A 467 GLN C . 34393 1 608 . 1 . 1 57 57 GLN CA C 13 58.373 0.016 . . . . . . A 467 GLN CA . 34393 1 609 . 1 . 1 57 57 GLN CB C 13 28.596 0.024 . . . . . . A 467 GLN CB . 34393 1 610 . 1 . 1 57 57 GLN CG C 13 34.438 0.020 . . . . . . A 467 GLN CG . 34393 1 611 . 1 . 1 57 57 GLN N N 15 116.762 0.023 . . . . . . A 467 GLN N . 34393 1 612 . 1 . 1 57 57 GLN NE2 N 15 111.321 0.015 . . . . . . A 467 GLN NE2 . 34393 1 613 . 1 . 1 58 58 ALA H H 1 8.053 0.001 . . . . . . A 468 ALA H . 34393 1 614 . 1 . 1 58 58 ALA HA H 1 4.151 0.000 . . . . . . A 468 ALA HA . 34393 1 615 . 1 . 1 58 58 ALA HB1 H 1 1.516 0.000 . . . . . . A 468 ALA HB1 . 34393 1 616 . 1 . 1 58 58 ALA HB2 H 1 1.516 0.000 . . . . . . A 468 ALA HB2 . 34393 1 617 . 1 . 1 58 58 ALA HB3 H 1 1.516 0.000 . . . . . . A 468 ALA HB3 . 34393 1 618 . 1 . 1 58 58 ALA C C 13 178.832 0.004 . . . . . . A 468 ALA C . 34393 1 619 . 1 . 1 58 58 ALA CA C 13 54.911 0.025 . . . . . . A 468 ALA CA . 34393 1 620 . 1 . 1 58 58 ALA CB C 13 18.681 0.024 . . . . . . A 468 ALA CB . 34393 1 621 . 1 . 1 58 58 ALA N N 15 122.646 0.015 . . . . . . A 468 ALA N . 34393 1 622 . 1 . 1 59 59 VAL H H 1 7.919 0.002 . . . . . . A 469 VAL H . 34393 1 623 . 1 . 1 59 59 VAL HA H 1 3.713 0.000 . . . . . . A 469 VAL HA . 34393 1 624 . 1 . 1 59 59 VAL HB H 1 2.187 0.000 . . . . . . A 469 VAL HB . 34393 1 625 . 1 . 1 59 59 VAL HG11 H 1 1.057 0.000 . . . . . . A 469 VAL HG11 . 34393 1 626 . 1 . 1 59 59 VAL HG12 H 1 1.057 0.000 . . . . . . A 469 VAL HG12 . 34393 1 627 . 1 . 1 59 59 VAL HG13 H 1 1.057 0.000 . . . . . . A 469 VAL HG13 . 34393 1 628 . 1 . 1 59 59 VAL HG21 H 1 0.962 0.000 . . . . . . A 469 VAL HG21 . 34393 1 629 . 1 . 1 59 59 VAL HG22 H 1 0.962 0.000 . . . . . . A 469 VAL HG22 . 34393 1 630 . 1 . 1 59 59 VAL HG23 H 1 0.962 0.000 . . . . . . A 469 VAL HG23 . 34393 1 631 . 1 . 1 59 59 VAL C C 13 177.226 0.006 . . . . . . A 469 VAL C . 34393 1 632 . 1 . 1 59 59 VAL CA C 13 65.647 0.026 . . . . . . A 469 VAL CA . 34393 1 633 . 1 . 1 59 59 VAL CB C 13 31.743 0.055 . . . . . . A 469 VAL CB . 34393 1 634 . 1 . 1 59 59 VAL CG1 C 13 22.732 0.000 . . . . . . A 469 VAL CG1 . 34393 1 635 . 1 . 1 59 59 VAL CG2 C 13 21.546 0.000 . . . . . . A 469 VAL CG2 . 34393 1 636 . 1 . 1 59 59 VAL N N 15 116.606 0.012 . . . . . . A 469 VAL N . 34393 1 637 . 1 . 1 60 60 ALA H H 1 7.960 0.002 . . . . . . A 470 ALA H . 34393 1 638 . 1 . 1 60 60 ALA HA H 1 4.202 0.000 . . . . . . A 470 ALA HA . 34393 1 639 . 1 . 1 60 60 ALA HB1 H 1 1.499 0.000 . . . . . . A 470 ALA HB1 . 34393 1 640 . 1 . 1 60 60 ALA HB2 H 1 1.499 0.000 . . . . . . A 470 ALA HB2 . 34393 1 641 . 1 . 1 60 60 ALA HB3 H 1 1.499 0.000 . . . . . . A 470 ALA HB3 . 34393 1 642 . 1 . 1 60 60 ALA C C 13 180.021 0.003 . . . . . . A 470 ALA C . 34393 1 643 . 1 . 1 60 60 ALA CA C 13 54.745 0.026 . . . . . . A 470 ALA CA . 34393 1 644 . 1 . 1 60 60 ALA CB C 13 18.083 0.013 . . . . . . A 470 ALA CB . 34393 1 645 . 1 . 1 60 60 ALA N N 15 122.518 0.015 . . . . . . A 470 ALA N . 34393 1 646 . 1 . 1 61 61 ALA H H 1 8.110 0.001 . . . . . . A 471 ALA H . 34393 1 647 . 1 . 1 61 61 ALA HA H 1 4.097 0.000 . . . . . . A 471 ALA HA . 34393 1 648 . 1 . 1 61 61 ALA HB1 H 1 1.501 0.000 . . . . . . A 471 ALA HB1 . 34393 1 649 . 1 . 1 61 61 ALA HB2 H 1 1.501 0.000 . . . . . . A 471 ALA HB2 . 34393 1 650 . 1 . 1 61 61 ALA HB3 H 1 1.501 0.000 . . . . . . A 471 ALA HB3 . 34393 1 651 . 1 . 1 61 61 ALA C C 13 178.959 0.004 . . . . . . A 471 ALA C . 34393 1 652 . 1 . 1 61 61 ALA CA C 13 54.870 0.008 . . . . . . A 471 ALA CA . 34393 1 653 . 1 . 1 61 61 ALA CB C 13 18.639 0.013 . . . . . . A 471 ALA CB . 34393 1 654 . 1 . 1 61 61 ALA N N 15 120.179 0.020 . . . . . . A 471 ALA N . 34393 1 655 . 1 . 1 62 62 ALA H H 1 8.277 0.001 . . . . . . A 472 ALA H . 34393 1 656 . 1 . 1 62 62 ALA HA H 1 4.025 0.000 . . . . . . A 472 ALA HA . 34393 1 657 . 1 . 1 62 62 ALA HB1 H 1 1.517 0.000 . . . . . . A 472 ALA HB1 . 34393 1 658 . 1 . 1 62 62 ALA HB2 H 1 1.517 0.000 . . . . . . A 472 ALA HB2 . 34393 1 659 . 1 . 1 62 62 ALA HB3 H 1 1.517 0.000 . . . . . . A 472 ALA HB3 . 34393 1 660 . 1 . 1 62 62 ALA C C 13 178.997 0.012 . . . . . . A 472 ALA C . 34393 1 661 . 1 . 1 62 62 ALA CA C 13 55.047 0.020 . . . . . . A 472 ALA CA . 34393 1 662 . 1 . 1 62 62 ALA CB C 13 18.337 0.036 . . . . . . A 472 ALA CB . 34393 1 663 . 1 . 1 62 62 ALA N N 15 120.113 0.014 . . . . . . A 472 ALA N . 34393 1 664 . 1 . 1 63 63 GLN H H 1 8.309 0.002 . . . . . . A 473 GLN H . 34393 1 665 . 1 . 1 63 63 GLN HA H 1 3.904 0.000 . . . . . . A 473 GLN HA . 34393 1 666 . 1 . 1 63 63 GLN HB2 H 1 2.216 0.000 . . . . . . A 473 GLN HB2 . 34393 1 667 . 1 . 1 63 63 GLN HB3 H 1 2.109 0.000 . . . . . . A 473 GLN HB3 . 34393 1 668 . 1 . 1 63 63 GLN HG2 H 1 2.484 0.000 . . . . . . A 473 GLN HG2 . 34393 1 669 . 1 . 1 63 63 GLN HG3 H 1 2.313 0.000 . . . . . . A 473 GLN HG3 . 34393 1 670 . 1 . 1 63 63 GLN HE21 H 1 7.416 0.000 . . . . . . A 473 GLN HE21 . 34393 1 671 . 1 . 1 63 63 GLN HE22 H 1 6.835 0.000 . . . . . . A 473 GLN HE22 . 34393 1 672 . 1 . 1 63 63 GLN C C 13 178.367 0.002 . . . . . . A 473 GLN C . 34393 1 673 . 1 . 1 63 63 GLN CA C 13 59.335 0.014 . . . . . . A 473 GLN CA . 34393 1 674 . 1 . 1 63 63 GLN CB C 13 28.534 0.056 . . . . . . A 473 GLN CB . 34393 1 675 . 1 . 1 63 63 GLN CG C 13 34.349 0.007 . . . . . . A 473 GLN CG . 34393 1 676 . 1 . 1 63 63 GLN N N 15 116.718 0.009 . . . . . . A 473 GLN N . 34393 1 677 . 1 . 1 63 63 GLN NE2 N 15 111.262 0.000 . . . . . . A 473 GLN NE2 . 34393 1 678 . 1 . 1 64 64 ARG H H 1 7.997 0.001 . . . . . . A 474 ARG H . 34393 1 679 . 1 . 1 64 64 ARG HA H 1 4.152 0.000 . . . . . . A 474 ARG HA . 34393 1 680 . 1 . 1 64 64 ARG HB2 H 1 2.032 0.001 . . . . . . A 474 ARG HB2 . 34393 1 681 . 1 . 1 64 64 ARG HB3 H 1 1.955 0.000 . . . . . . A 474 ARG HB3 . 34393 1 682 . 1 . 1 64 64 ARG HG2 H 1 1.911 0.002 . . . . . . A 474 ARG HG2 . 34393 1 683 . 1 . 1 64 64 ARG HG3 H 1 1.710 0.000 . . . . . . A 474 ARG HG3 . 34393 1 684 . 1 . 1 64 64 ARG HD2 H 1 3.231 0.000 . . . . . . A 474 ARG HD2 . 34393 1 685 . 1 . 1 64 64 ARG HD3 H 1 3.231 0.000 . . . . . . A 474 ARG HD3 . 34393 1 686 . 1 . 1 64 64 ARG C C 13 178.965 0.005 . . . . . . A 474 ARG C . 34393 1 687 . 1 . 1 64 64 ARG CA C 13 59.152 0.026 . . . . . . A 474 ARG CA . 34393 1 688 . 1 . 1 64 64 ARG CB C 13 30.250 0.040 . . . . . . A 474 ARG CB . 34393 1 689 . 1 . 1 64 64 ARG CG C 13 27.740 0.035 . . . . . . A 474 ARG CG . 34393 1 690 . 1 . 1 64 64 ARG CD C 13 43.633 0.000 . . . . . . A 474 ARG CD . 34393 1 691 . 1 . 1 64 64 ARG N N 15 118.510 0.029 . . . . . . A 474 ARG N . 34393 1 692 . 1 . 1 65 65 LEU H H 1 8.082 0.002 . . . . . . A 475 LEU H . 34393 1 693 . 1 . 1 65 65 LEU HA H 1 4.130 0.000 . . . . . . A 475 LEU HA . 34393 1 694 . 1 . 1 65 65 LEU HB2 H 1 1.908 0.000 . . . . . . A 475 LEU HB2 . 34393 1 695 . 1 . 1 65 65 LEU HB3 H 1 1.748 0.001 . . . . . . A 475 LEU HB3 . 34393 1 696 . 1 . 1 65 65 LEU HG H 1 1.691 0.000 . . . . . . A 475 LEU HG . 34393 1 697 . 1 . 1 65 65 LEU HD11 H 1 0.887 0.000 . . . . . . A 475 LEU HD11 . 34393 1 698 . 1 . 1 65 65 LEU HD12 H 1 0.887 0.000 . . . . . . A 475 LEU HD12 . 34393 1 699 . 1 . 1 65 65 LEU HD13 H 1 0.887 0.000 . . . . . . A 475 LEU HD13 . 34393 1 700 . 1 . 1 65 65 LEU HD21 H 1 0.931 0.000 . . . . . . A 475 LEU HD21 . 34393 1 701 . 1 . 1 65 65 LEU HD22 H 1 0.931 0.000 . . . . . . A 475 LEU HD22 . 34393 1 702 . 1 . 1 65 65 LEU HD23 H 1 0.931 0.000 . . . . . . A 475 LEU HD23 . 34393 1 703 . 1 . 1 65 65 LEU C C 13 178.012 0.002 . . . . . . A 475 LEU C . 34393 1 704 . 1 . 1 65 65 LEU CA C 13 58.158 0.019 . . . . . . A 475 LEU CA . 34393 1 705 . 1 . 1 65 65 LEU CB C 13 41.810 0.028 . . . . . . A 475 LEU CB . 34393 1 706 . 1 . 1 65 65 LEU CG C 13 27.416 0.000 . . . . . . A 475 LEU CG . 34393 1 707 . 1 . 1 65 65 LEU CD1 C 13 25.179 0.000 . . . . . . A 475 LEU CD1 . 34393 1 708 . 1 . 1 65 65 LEU CD2 C 13 24.457 0.000 . . . . . . A 475 LEU CD2 . 34393 1 709 . 1 . 1 65 65 LEU N N 15 120.460 0.036 . . . . . . A 475 LEU N . 34393 1 710 . 1 . 1 66 66 VAL H H 1 8.214 0.002 . . . . . . A 476 VAL H . 34393 1 711 . 1 . 1 66 66 VAL HA H 1 3.554 0.000 . . . . . . A 476 VAL HA . 34393 1 712 . 1 . 1 66 66 VAL HB H 1 2.162 0.000 . . . . . . A 476 VAL HB . 34393 1 713 . 1 . 1 66 66 VAL HG11 H 1 1.061 0.000 . . . . . . A 476 VAL HG11 . 34393 1 714 . 1 . 1 66 66 VAL HG12 H 1 1.061 0.000 . . . . . . A 476 VAL HG12 . 34393 1 715 . 1 . 1 66 66 VAL HG13 H 1 1.061 0.000 . . . . . . A 476 VAL HG13 . 34393 1 716 . 1 . 1 66 66 VAL HG21 H 1 0.956 0.000 . . . . . . A 476 VAL HG21 . 34393 1 717 . 1 . 1 66 66 VAL HG22 H 1 0.956 0.000 . . . . . . A 476 VAL HG22 . 34393 1 718 . 1 . 1 66 66 VAL HG23 H 1 0.956 0.000 . . . . . . A 476 VAL HG23 . 34393 1 719 . 1 . 1 66 66 VAL C C 13 177.798 0.002 . . . . . . A 476 VAL C . 34393 1 720 . 1 . 1 66 66 VAL CA C 13 67.120 0.018 . . . . . . A 476 VAL CA . 34393 1 721 . 1 . 1 66 66 VAL CB C 13 31.446 0.077 . . . . . . A 476 VAL CB . 34393 1 722 . 1 . 1 66 66 VAL CG1 C 13 22.959 0.000 . . . . . . A 476 VAL CG1 . 34393 1 723 . 1 . 1 66 66 VAL CG2 C 13 21.581 0.000 . . . . . . A 476 VAL CG2 . 34393 1 724 . 1 . 1 66 66 VAL N N 15 117.764 0.010 . . . . . . A 476 VAL N . 34393 1 725 . 1 . 1 67 67 HIS H H 1 8.054 0.001 . . . . . . A 477 HIS H . 34393 1 726 . 1 . 1 67 67 HIS HA H 1 4.366 0.000 . . . . . . A 477 HIS HA . 34393 1 727 . 1 . 1 67 67 HIS HB2 H 1 3.236 0.002 . . . . . . A 477 HIS HB2 . 34393 1 728 . 1 . 1 67 67 HIS HB3 H 1 3.236 0.002 . . . . . . A 477 HIS HB3 . 34393 1 729 . 1 . 1 67 67 HIS HD2 H 1 7.024 0.000 . . . . . . A 477 HIS HD2 . 34393 1 730 . 1 . 1 67 67 HIS C C 13 177.240 0.004 . . . . . . A 477 HIS C . 34393 1 731 . 1 . 1 67 67 HIS CA C 13 59.270 0.022 . . . . . . A 477 HIS CA . 34393 1 732 . 1 . 1 67 67 HIS CB C 13 30.473 0.040 . . . . . . A 477 HIS CB . 34393 1 733 . 1 . 1 67 67 HIS CD2 C 13 119.394 0.000 . . . . . . A 477 HIS CD2 . 34393 1 734 . 1 . 1 67 67 HIS N N 15 118.646 0.020 . . . . . . A 477 HIS N . 34393 1 735 . 1 . 1 68 68 ALA H H 1 8.033 0.001 . . . . . . A 478 ALA H . 34393 1 736 . 1 . 1 68 68 ALA HA H 1 4.086 0.000 . . . . . . A 478 ALA HA . 34393 1 737 . 1 . 1 68 68 ALA HB1 H 1 1.584 0.000 . . . . . . A 478 ALA HB1 . 34393 1 738 . 1 . 1 68 68 ALA HB2 H 1 1.584 0.000 . . . . . . A 478 ALA HB2 . 34393 1 739 . 1 . 1 68 68 ALA HB3 H 1 1.584 0.000 . . . . . . A 478 ALA HB3 . 34393 1 740 . 1 . 1 68 68 ALA C C 13 179.886 0.005 . . . . . . A 478 ALA C . 34393 1 741 . 1 . 1 68 68 ALA CA C 13 55.326 0.006 . . . . . . A 478 ALA CA . 34393 1 742 . 1 . 1 68 68 ALA CB C 13 18.345 0.017 . . . . . . A 478 ALA CB . 34393 1 743 . 1 . 1 68 68 ALA N N 15 120.744 0.014 . . . . . . A 478 ALA N . 34393 1 744 . 1 . 1 69 69 ILE H H 1 8.308 0.001 . . . . . . A 479 ILE H . 34393 1 745 . 1 . 1 69 69 ILE HA H 1 3.707 0.001 . . . . . . A 479 ILE HA . 34393 1 746 . 1 . 1 69 69 ILE HB H 1 1.985 0.001 . . . . . . A 479 ILE HB . 34393 1 747 . 1 . 1 69 69 ILE HG12 H 1 1.846 0.000 . . . . . . A 479 ILE HG12 . 34393 1 748 . 1 . 1 69 69 ILE HG13 H 1 1.125 0.000 . . . . . . A 479 ILE HG13 . 34393 1 749 . 1 . 1 69 69 ILE HG21 H 1 0.904 0.000 . . . . . . A 479 ILE HG21 . 34393 1 750 . 1 . 1 69 69 ILE HG22 H 1 0.904 0.000 . . . . . . A 479 ILE HG22 . 34393 1 751 . 1 . 1 69 69 ILE HG23 H 1 0.904 0.000 . . . . . . A 479 ILE HG23 . 34393 1 752 . 1 . 1 69 69 ILE HD11 H 1 0.815 0.000 . . . . . . A 479 ILE HD11 . 34393 1 753 . 1 . 1 69 69 ILE HD12 H 1 0.815 0.000 . . . . . . A 479 ILE HD12 . 34393 1 754 . 1 . 1 69 69 ILE HD13 H 1 0.815 0.000 . . . . . . A 479 ILE HD13 . 34393 1 755 . 1 . 1 69 69 ILE C C 13 178.486 0.001 . . . . . . A 479 ILE C . 34393 1 756 . 1 . 1 69 69 ILE CA C 13 64.943 0.005 . . . . . . A 479 ILE CA . 34393 1 757 . 1 . 1 69 69 ILE CB C 13 37.692 0.036 . . . . . . A 479 ILE CB . 34393 1 758 . 1 . 1 69 69 ILE CG1 C 13 29.252 0.010 . . . . . . A 479 ILE CG1 . 34393 1 759 . 1 . 1 69 69 ILE CG2 C 13 17.876 0.008 . . . . . . A 479 ILE CG2 . 34393 1 760 . 1 . 1 69 69 ILE CD1 C 13 13.323 0.000 . . . . . . A 479 ILE CD1 . 34393 1 761 . 1 . 1 69 69 ILE N N 15 117.571 0.007 . . . . . . A 479 ILE N . 34393 1 762 . 1 . 1 70 70 ALA H H 1 8.387 0.001 . . . . . . A 480 ALA H . 34393 1 763 . 1 . 1 70 70 ALA HA H 1 4.035 0.000 . . . . . . A 480 ALA HA . 34393 1 764 . 1 . 1 70 70 ALA HB1 H 1 1.521 0.000 . . . . . . A 480 ALA HB1 . 34393 1 765 . 1 . 1 70 70 ALA HB2 H 1 1.521 0.000 . . . . . . A 480 ALA HB2 . 34393 1 766 . 1 . 1 70 70 ALA HB3 H 1 1.521 0.000 . . . . . . A 480 ALA HB3 . 34393 1 767 . 1 . 1 70 70 ALA C C 13 180.118 0.003 . . . . . . A 480 ALA C . 34393 1 768 . 1 . 1 70 70 ALA CA C 13 55.317 0.002 . . . . . . A 480 ALA CA . 34393 1 769 . 1 . 1 70 70 ALA CB C 13 18.067 0.006 . . . . . . A 480 ALA CB . 34393 1 770 . 1 . 1 70 70 ALA N N 15 123.443 0.014 . . . . . . A 480 ALA N . 34393 1 771 . 1 . 1 71 71 LEU H H 1 7.881 0.001 . . . . . . A 481 LEU H . 34393 1 772 . 1 . 1 71 71 LEU HA H 1 4.116 0.002 . . . . . . A 481 LEU HA . 34393 1 773 . 1 . 1 71 71 LEU HB2 H 1 1.859 0.001 . . . . . . A 481 LEU HB2 . 34393 1 774 . 1 . 1 71 71 LEU HB3 H 1 1.578 0.000 . . . . . . A 481 LEU HB3 . 34393 1 775 . 1 . 1 71 71 LEU HG H 1 1.671 0.000 . . . . . . A 481 LEU HG . 34393 1 776 . 1 . 1 71 71 LEU HD11 H 1 0.847 0.000 . . . . . . A 481 LEU HD11 . 34393 1 777 . 1 . 1 71 71 LEU HD12 H 1 0.847 0.000 . . . . . . A 481 LEU HD12 . 34393 1 778 . 1 . 1 71 71 LEU HD13 H 1 0.847 0.000 . . . . . . A 481 LEU HD13 . 34393 1 779 . 1 . 1 71 71 LEU HD21 H 1 0.862 0.000 . . . . . . A 481 LEU HD21 . 34393 1 780 . 1 . 1 71 71 LEU HD22 H 1 0.862 0.000 . . . . . . A 481 LEU HD22 . 34393 1 781 . 1 . 1 71 71 LEU HD23 H 1 0.862 0.000 . . . . . . A 481 LEU HD23 . 34393 1 782 . 1 . 1 71 71 LEU C C 13 179.357 0.004 . . . . . . A 481 LEU C . 34393 1 783 . 1 . 1 71 71 LEU CA C 13 57.442 0.013 . . . . . . A 481 LEU CA . 34393 1 784 . 1 . 1 71 71 LEU CB C 13 42.165 0.027 . . . . . . A 481 LEU CB . 34393 1 785 . 1 . 1 71 71 LEU CG C 13 26.835 0.000 . . . . . . A 481 LEU CG . 34393 1 786 . 1 . 1 71 71 LEU CD1 C 13 25.294 0.000 . . . . . . A 481 LEU CD1 . 34393 1 787 . 1 . 1 71 71 LEU CD2 C 13 23.600 0.000 . . . . . . A 481 LEU CD2 . 34393 1 788 . 1 . 1 71 71 LEU N N 15 117.870 0.006 . . . . . . A 481 LEU N . 34393 1 789 . 1 . 1 72 72 MET H H 1 8.053 0.001 . . . . . . A 482 MET H . 34393 1 790 . 1 . 1 72 72 MET HA H 1 4.266 0.004 . . . . . . A 482 MET HA . 34393 1 791 . 1 . 1 72 72 MET HB2 H 1 2.274 0.002 . . . . . . A 482 MET HB2 . 34393 1 792 . 1 . 1 72 72 MET HB3 H 1 2.162 0.000 . . . . . . A 482 MET HB3 . 34393 1 793 . 1 . 1 72 72 MET HG2 H 1 2.747 0.000 . . . . . . A 482 MET HG2 . 34393 1 794 . 1 . 1 72 72 MET HG3 H 1 2.601 0.000 . . . . . . A 482 MET HG3 . 34393 1 795 . 1 . 1 72 72 MET HE1 H 1 2.023 0.000 . . . . . . A 482 MET HE1 . 34393 1 796 . 1 . 1 72 72 MET HE2 H 1 2.023 0.000 . . . . . . A 482 MET HE2 . 34393 1 797 . 1 . 1 72 72 MET HE3 H 1 2.023 0.000 . . . . . . A 482 MET HE3 . 34393 1 798 . 1 . 1 72 72 MET C C 13 177.391 0.001 . . . . . . A 482 MET C . 34393 1 799 . 1 . 1 72 72 MET CA C 13 57.963 0.011 . . . . . . A 482 MET CA . 34393 1 800 . 1 . 1 72 72 MET CB C 13 33.384 0.064 . . . . . . A 482 MET CB . 34393 1 801 . 1 . 1 72 72 MET CG C 13 32.689 0.027 . . . . . . A 482 MET CG . 34393 1 802 . 1 . 1 72 72 MET CE C 13 17.310 0.000 . . . . . . A 482 MET CE . 34393 1 803 . 1 . 1 72 72 MET N N 15 117.377 0.005 . . . . . . A 482 MET N . 34393 1 804 . 1 . 1 73 73 THR H H 1 7.944 0.004 . . . . . . A 483 THR H . 34393 1 805 . 1 . 1 73 73 THR HA H 1 4.211 0.000 . . . . . . A 483 THR HA . 34393 1 806 . 1 . 1 73 73 THR HB H 1 4.278 0.005 . . . . . . A 483 THR HB . 34393 1 807 . 1 . 1 73 73 THR HG21 H 1 1.250 0.000 . . . . . . A 483 THR HG21 . 34393 1 808 . 1 . 1 73 73 THR HG22 H 1 1.250 0.000 . . . . . . A 483 THR HG22 . 34393 1 809 . 1 . 1 73 73 THR HG23 H 1 1.250 0.000 . . . . . . A 483 THR HG23 . 34393 1 810 . 1 . 1 73 73 THR C C 13 175.087 0.001 . . . . . . A 483 THR C . 34393 1 811 . 1 . 1 73 73 THR CA C 13 63.524 0.026 . . . . . . A 483 THR CA . 34393 1 812 . 1 . 1 73 73 THR CB C 13 69.788 0.013 . . . . . . A 483 THR CB . 34393 1 813 . 1 . 1 73 73 THR CG2 C 13 21.908 0.000 . . . . . . A 483 THR CG2 . 34393 1 814 . 1 . 1 73 73 THR N N 15 109.212 0.006 . . . . . . A 483 THR N . 34393 1 815 . 1 . 1 74 74 GLN H H 1 7.923 0.002 . . . . . . A 484 GLN H . 34393 1 816 . 1 . 1 74 74 GLN HA H 1 4.158 0.003 . . . . . . A 484 GLN HA . 34393 1 817 . 1 . 1 74 74 GLN HB2 H 1 2.042 0.000 . . . . . . A 484 GLN HB2 . 34393 1 818 . 1 . 1 74 74 GLN HB3 H 1 2.015 0.000 . . . . . . A 484 GLN HB3 . 34393 1 819 . 1 . 1 74 74 GLN HG2 H 1 2.259 0.000 . . . . . . A 484 GLN HG2 . 34393 1 820 . 1 . 1 74 74 GLN HG3 H 1 2.234 0.000 . . . . . . A 484 GLN HG3 . 34393 1 821 . 1 . 1 74 74 GLN HE21 H 1 7.455 0.000 . . . . . . A 484 GLN HE21 . 34393 1 822 . 1 . 1 74 74 GLN HE22 H 1 6.821 0.000 . . . . . . A 484 GLN HE22 . 34393 1 823 . 1 . 1 74 74 GLN C C 13 176.550 0.004 . . . . . . A 484 GLN C . 34393 1 824 . 1 . 1 74 74 GLN CA C 13 56.931 0.006 . . . . . . A 484 GLN CA . 34393 1 825 . 1 . 1 74 74 GLN CB C 13 28.552 0.036 . . . . . . A 484 GLN CB . 34393 1 826 . 1 . 1 74 74 GLN CG C 13 33.777 0.033 . . . . . . A 484 GLN CG . 34393 1 827 . 1 . 1 74 74 GLN N N 15 119.127 0.009 . . . . . . A 484 GLN N . 34393 1 828 . 1 . 1 74 74 GLN NE2 N 15 111.793 0.003 . . . . . . A 484 GLN NE2 . 34393 1 829 . 1 . 1 75 75 PHE H H 1 8.045 0.001 . . . . . . A 485 PHE H . 34393 1 830 . 1 . 1 75 75 PHE HA H 1 4.497 0.000 . . . . . . A 485 PHE HA . 34393 1 831 . 1 . 1 75 75 PHE HB2 H 1 3.173 0.000 . . . . . . A 485 PHE HB2 . 34393 1 832 . 1 . 1 75 75 PHE HB3 H 1 3.075 0.000 . . . . . . A 485 PHE HB3 . 34393 1 833 . 1 . 1 75 75 PHE HD1 H 1 7.293 0.000 . . . . . . A 485 PHE HD1 . 34393 1 834 . 1 . 1 75 75 PHE HD2 H 1 7.293 0.000 . . . . . . A 485 PHE HD2 . 34393 1 835 . 1 . 1 75 75 PHE HE1 H 1 7.307 0.000 . . . . . . A 485 PHE HE1 . 34393 1 836 . 1 . 1 75 75 PHE HE2 H 1 7.307 0.000 . . . . . . A 485 PHE HE2 . 34393 1 837 . 1 . 1 75 75 PHE C C 13 176.442 0.005 . . . . . . A 485 PHE C . 34393 1 838 . 1 . 1 75 75 PHE CA C 13 58.921 0.025 . . . . . . A 485 PHE CA . 34393 1 839 . 1 . 1 75 75 PHE CB C 13 39.437 0.022 . . . . . . A 485 PHE CB . 34393 1 840 . 1 . 1 75 75 PHE CD1 C 13 131.958 0.000 . . . . . . A 485 PHE CD1 . 34393 1 841 . 1 . 1 75 75 PHE CE1 C 13 131.395 0.000 . . . . . . A 485 PHE CE1 . 34393 1 842 . 1 . 1 75 75 PHE N N 15 118.990 0.006 . . . . . . A 485 PHE N . 34393 1 843 . 1 . 1 76 76 GLY H H 1 8.304 0.000 . . . . . . A 486 GLY H . 34393 1 844 . 1 . 1 76 76 GLY HA2 H 1 3.851 0.000 . . . . . . A 486 GLY HA2 . 34393 1 845 . 1 . 1 76 76 GLY HA3 H 1 3.851 0.000 . . . . . . A 486 GLY HA3 . 34393 1 846 . 1 . 1 76 76 GLY C C 13 173.837 0.002 . . . . . . A 486 GLY C . 34393 1 847 . 1 . 1 76 76 GLY CA C 13 45.637 0.017 . . . . . . A 486 GLY CA . 34393 1 848 . 1 . 1 76 76 GLY N N 15 108.621 0.004 . . . . . . A 486 GLY N . 34393 1 849 . 1 . 1 77 77 ARG H H 1 7.980 0.001 . . . . . . A 487 ARG H . 34393 1 850 . 1 . 1 77 77 ARG HA H 1 4.321 0.004 . . . . . . A 487 ARG HA . 34393 1 851 . 1 . 1 77 77 ARG HB2 H 1 1.901 0.006 . . . . . . A 487 ARG HB2 . 34393 1 852 . 1 . 1 77 77 ARG HB3 H 1 1.766 0.000 . . . . . . A 487 ARG HB3 . 34393 1 853 . 1 . 1 77 77 ARG HG2 H 1 1.627 0.000 . . . . . . A 487 ARG HG2 . 34393 1 854 . 1 . 1 77 77 ARG HG3 H 1 1.627 0.000 . . . . . . A 487 ARG HG3 . 34393 1 855 . 1 . 1 77 77 ARG HD2 H 1 3.183 0.000 . . . . . . A 487 ARG HD2 . 34393 1 856 . 1 . 1 77 77 ARG HD3 H 1 3.183 0.000 . . . . . . A 487 ARG HD3 . 34393 1 857 . 1 . 1 77 77 ARG C C 13 176.128 0.000 . . . . . . A 487 ARG C . 34393 1 858 . 1 . 1 77 77 ARG CA C 13 56.065 0.032 . . . . . . A 487 ARG CA . 34393 1 859 . 1 . 1 77 77 ARG CB C 13 30.923 0.078 . . . . . . A 487 ARG CB . 34393 1 860 . 1 . 1 77 77 ARG CG C 13 27.162 0.000 . . . . . . A 487 ARG CG . 34393 1 861 . 1 . 1 77 77 ARG CD C 13 43.439 0.000 . . . . . . A 487 ARG CD . 34393 1 862 . 1 . 1 77 77 ARG N N 15 119.420 0.006 . . . . . . A 487 ARG N . 34393 1 863 . 1 . 1 78 78 ALA H H 1 8.368 0.000 . . . . . . A 488 ALA H . 34393 1 864 . 1 . 1 78 78 ALA HA H 1 4.320 0.000 . . . . . . A 488 ALA HA . 34393 1 865 . 1 . 1 78 78 ALA HB1 H 1 1.412 0.000 . . . . . . A 488 ALA HB1 . 34393 1 866 . 1 . 1 78 78 ALA HB2 H 1 1.412 0.000 . . . . . . A 488 ALA HB2 . 34393 1 867 . 1 . 1 78 78 ALA HB3 H 1 1.412 0.000 . . . . . . A 488 ALA HB3 . 34393 1 868 . 1 . 1 78 78 ALA C C 13 178.131 0.002 . . . . . . A 488 ALA C . 34393 1 869 . 1 . 1 78 78 ALA CA C 13 52.766 0.004 . . . . . . A 488 ALA CA . 34393 1 870 . 1 . 1 78 78 ALA CB C 13 19.327 0.006 . . . . . . A 488 ALA CB . 34393 1 871 . 1 . 1 78 78 ALA N N 15 124.762 0.002 . . . . . . A 488 ALA N . 34393 1 872 . 1 . 1 79 79 GLY H H 1 8.384 0.000 . . . . . . A 489 GLY H . 34393 1 873 . 1 . 1 79 79 GLY HA2 H 1 3.953 0.000 . . . . . . A 489 GLY HA2 . 34393 1 874 . 1 . 1 79 79 GLY HA3 H 1 3.953 0.000 . . . . . . A 489 GLY HA3 . 34393 1 875 . 1 . 1 79 79 GLY C C 13 173.342 0.001 . . . . . . A 489 GLY C . 34393 1 876 . 1 . 1 79 79 GLY CA C 13 45.360 0.003 . . . . . . A 489 GLY CA . 34393 1 877 . 1 . 1 79 79 GLY N N 15 108.585 0.004 . . . . . . A 489 GLY N . 34393 1 878 . 1 . 1 80 80 SER H H 1 7.841 0.000 . . . . . . A 490 SER H . 34393 1 879 . 1 . 1 80 80 SER HA H 1 4.257 0.000 . . . . . . A 490 SER HA . 34393 1 880 . 1 . 1 80 80 SER HB2 H 1 3.840 0.000 . . . . . . A 490 SER HB2 . 34393 1 881 . 1 . 1 80 80 SER HB3 H 1 3.840 0.000 . . . . . . A 490 SER HB3 . 34393 1 882 . 1 . 1 80 80 SER C C 13 178.646 0.000 . . . . . . A 490 SER C . 34393 1 883 . 1 . 1 80 80 SER CA C 13 59.975 0.028 . . . . . . A 490 SER CA . 34393 1 884 . 1 . 1 80 80 SER CB C 13 64.983 0.011 . . . . . . A 490 SER CB . 34393 1 885 . 1 . 1 80 80 SER N N 15 120.988 0.003 . . . . . . A 490 SER N . 34393 1 stop_ save_